#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d50 s GLN 32 N -0.44 3.53 -0.14 0.00 -0.21 -1.26 -5.00 119.66 116.15 3d50 s GLN 32 Ca 0.56 2.36 -0.29 0.00 0.02 0.00 0.00 55.36 58.00 3d50 s GLN 32 Cb -0.38 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.09 3d50 s GLN 32 CO 0.41 -0.92 1.02 0.34 -2.12 0.00 0.00 175.29 174.02 3d50 s ASP 33 N -0.65 7.20 0.00 5.90 -1.08 -1.26 -4.87 116.67 121.91 3d50 s ASP 33 Ca 0.64 1.49 0.22 0.00 -0.52 0.00 0.00 52.55 54.38 3d50 s ASP 33 Cb -0.43 -2.55 0.61 0.00 -1.46 0.00 0.00 42.92 39.10 3d50 s ASP 33 CO 0.53 -0.51 1.52 1.33 0.52 0.00 0.00 175.17 178.56 3d50 n VAL 34 N 4.76 0.93 -0.01 1.11 0.24 -1.26 -4.44 118.33 119.66 3d50 n VAL 34 Ca 0.10 -0.97 -0.01 0.00 -2.04 0.00 0.00 64.34 61.42 3d50 n VAL 34 Cb 0.48 0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 33.41 3d50 n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3d50 n VAL 35 N 1.61 0.09 0.59 3.34 0.31 -1.26 -4.86 118.33 118.14 3d50 n VAL 35 Ca 0.24 -0.03 0.11 0.00 -0.01 0.00 0.00 64.34 64.64 3d50 n VAL 35 Cb 0.62 -0.64 -0.00 0.00 -0.91 0.00 0.00 33.84 32.90 3d50 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d50 n GLN 36 N -2.59 0.27 -3.84 5.55 6.02 -1.26 -4.22 117.38 117.31 3d50 n GLN 36 Ca -0.03 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.58 3d50 n GLN 36 Cb 0.53 -1.57 -0.13 0.00 1.02 0.00 0.00 30.24 30.08 3d50 n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3d50 s ASP 37 N -3.84 5.04 -0.15 1.08 1.01 -1.26 -4.90 116.67 113.65 3d50 s ASP 37 Ca 0.03 -1.17 -0.29 0.00 0.71 0.00 0.00 52.55 51.84 3d50 s ASP 37 Cb 0.15 -1.78 -0.04 0.00 1.01 0.00 0.00 42.92 42.26 3d50 s ASP 37 CO 0.82 -0.28 1.66 -0.69 0.21 0.00 0.00 175.17 176.89 3d50 s VAL 38 N 1.33 3.62 0.45 -1.27 1.01 -1.26 -4.76 120.40 119.52 3d50 s VAL 38 Ca -0.03 0.72 -0.25 0.00 0.00 0.00 0.00 61.98 62.41 3d50 s VAL 38 Cb -0.19 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 3d50 s VAL 38 CO 0.01 -0.18 1.44 -2.84 0.00 0.00 0.00 175.10 173.52 3d50 s PRO 39 N 4.49 3.66 -0.35 2.72 0.02 -1.26 -4.96 135.00 139.31 3d50 s PRO 39 Ca 0.74 2.45 -0.16 0.00 0.02 0.00 0.00 61.00 64.04 3d50 s PRO 39 Cb -0.29 -2.65 -0.01 0.00 0.02 0.00 0.00 34.50 31.58 3d50 s PRO 39 CO 0.29 -0.85 0.40 1.21 -0.33 0.00 0.00 177.00 177.73 3d50 s ASN 40 N -0.48 6.22 0.16 2.53 2.47 -1.26 -5.05 114.94 119.53 3d50 s ASN 40 Ca 0.61 -0.20 0.05 0.00 0.42 0.00 0.00 52.86 53.74 3d50 s ASN 40 Cb -0.44 -2.22 -0.05 0.00 -1.45 0.00 0.00 41.25 37.10 3d50 s ASN 40 CO 0.57 -0.39 -0.11 0.68 -3.72 0.00 0.00 177.10 174.14 3d50 s VAL 41 N 2.12 1.28 0.20 -5.21 -7.23 -1.26 -5.05 120.40 105.25 3d50 s VAL 41 Ca 0.14 -2.09 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3d50 s VAL 41 Cb -0.16 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 3d50 s VAL 41 CO 0.12 -0.69 1.52 0.44 -0.31 0.00 0.00 175.10 176.18 3d50 h ASP 42 N 2.72 0.53 -3.24 4.85 3.32 -1.77 -3.42 116.42 119.40 3d50 h ASP 42 Ca -0.37 -0.28 -0.47 0.00 0.02 0.00 0.00 57.03 55.92 3d50 h ASP 42 Cb 1.20 -0.15 -0.38 0.00 0.22 0.00 0.00 39.33 40.22 3d50 h ASP 42 CO 0.63 0.98 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.66 3d50 s VAL 43 N -3.95 0.60 -0.18 -1.35 1.01 -0.64 -5.00 120.40 110.90 3d50 s VAL 43 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3d50 s VAL 43 Cb 0.11 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.76 3d50 s VAL 43 CO 0.83 0.24 -0.17 -1.58 0.00 0.00 0.00 175.10 174.43 3d50 s GLN 44 N 1.88 3.09 0.38 2.72 -0.44 -1.26 -1.41 119.66 124.60 3d50 s GLN 44 Ca 0.04 -0.78 0.09 0.00 -2.50 0.00 0.00 55.36 52.21 3d50 s GLN 44 Cb -0.13 -2.65 0.74 0.00 -1.64 0.00 0.00 33.01 29.33 3d50 s GLN 44 CO -0.06 -0.18 1.89 0.52 0.50 0.00 0.00 175.29 177.96 3d50 h MET 45 N 7.88 0.23 -0.51 1.67 2.86 -1.46 0.12 114.93 125.71 3d50 h MET 45 Ca -0.43 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.02 3d50 h MET 45 Cb 1.15 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 3d50 h MET 45 CO 0.62 0.40 -0.17 1.25 1.06 0.00 0.00 176.91 180.07 3d50 h LEU 46 N 0.21 1.03 -0.56 1.22 5.85 -1.93 -0.60 115.31 120.54 3d50 h LEU 46 Ca 0.04 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.26 3d50 h LEU 46 Cb 0.43 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3d50 h LEU 46 CO 0.03 1.17 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.78 3d50 h GLU 47 N 0.89 0.95 -0.63 1.25 5.08 -1.67 -1.82 114.58 118.63 3d50 h GLU 47 Ca 0.12 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 3d50 h GLU 47 Cb 0.75 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3d50 h GLU 47 CO 0.06 1.05 0.12 1.25 -1.00 0.00 0.00 179.01 180.49 3d50 h LEU 48 N 0.83 0.98 -1.00 1.33 5.85 -0.70 -2.79 115.31 119.81 3d50 h LEU 48 Ca 0.11 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3d50 h LEU 48 Cb 0.75 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 3d50 h LEU 48 CO 0.06 0.98 0.61 1.88 -0.34 0.00 0.00 178.44 181.63 3d50 h TYR 49 N 0.94 1.25 -0.76 1.25 -1.99 -0.75 -0.80 116.97 116.11 3d50 h TYR 49 Ca 0.19 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.94 3d50 h TYR 49 Cb 0.41 -0.42 -0.04 0.00 2.00 0.00 0.00 36.73 38.68 3d50 h TYR 49 CO 0.03 0.81 0.50 0.22 -0.00 0.00 0.00 178.16 179.72 3d50 h ASP 50 N 1.32 0.87 0.39 3.88 3.58 -1.07 -3.22 116.42 122.18 3d50 h ASP 50 Ca 0.35 -0.02 -0.31 0.00 0.42 0.00 0.00 57.03 57.46 3d50 h ASP 50 Cb -0.11 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.69 3d50 h ASP 50 CO -0.07 0.64 -1.76 0.03 -2.88 0.00 0.00 179.24 175.19 3d50 h ARG 51 N 1.03 0.10 -7.19 0.28 3.08 -1.29 -3.48 114.38 106.90 3d50 h ARG 51 Ca 0.28 -0.17 -0.53 0.00 0.07 0.00 0.00 59.98 59.63 3d50 h ARG 51 Cb -0.11 0.06 0.15 0.00 0.08 0.00 0.00 29.97 30.15 3d50 h ARG 51 CO -0.06 0.77 0.37 -1.64 -1.07 0.00 0.00 179.97 178.34 3d50 s MET 52 N -2.59 2.15 -0.06 0.04 -1.94 -0.34 -5.00 119.30 111.56 3d50 s MET 52 Ca -0.10 1.66 0.02 0.00 -1.71 0.00 0.00 55.69 55.57 3d50 s MET 52 Cb 0.08 -1.84 -0.25 0.00 2.01 0.00 0.00 34.83 34.82 3d50 s MET 52 CO 0.81 -1.81 0.58 1.03 -0.01 0.00 0.00 175.02 175.63 3d50 h SER 53 N -0.41 0.23 -0.01 3.03 0.87 -1.91 -3.49 113.55 111.86 3d50 h SER 53 Ca -0.47 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 59.62 3d50 h SER 53 Cb 1.28 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3d50 h SER 53 CO 0.50 1.41 -0.00 0.49 -0.53 0.00 0.00 176.83 178.70 3d50 n PHE 54 N -3.29 0.00 -2.11 2.24 3.72 -1.26 -4.97 117.46 111.79 3d50 n PHE 54 Ca -0.23 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.77 3d50 n PHE 54 Cb 1.05 -1.58 -0.02 0.00 -0.94 0.00 0.00 39.48 37.99 3d50 n PHE 54 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3d50 s LYS 55 N -1.58 4.29 -0.99 -1.08 -0.14 -1.26 -4.94 119.74 114.03 3d50 s LYS 55 Ca 0.00 2.20 -0.09 0.00 -1.36 0.00 0.00 55.97 56.72 3d50 s LYS 55 Cb 0.00 -3.01 0.25 0.00 -1.68 0.00 0.00 37.83 33.39 3d50 s LYS 55 CO 0.00 -0.24 0.96 0.34 -0.76 0.00 0.00 175.35 175.65 3d50 s ASP 56 N -0.53 6.93 0.11 2.83 2.15 -1.26 -5.01 116.67 121.88 3d50 s ASP 56 Ca 0.50 -3.36 0.04 0.00 0.43 0.00 0.00 52.55 50.16 3d50 s ASP 56 Cb -0.39 -2.16 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 3d50 s ASP 56 CO 0.52 -0.35 0.10 0.27 -0.17 0.00 0.00 175.17 175.54 3d50 s ILE 57 N -0.88 4.48 -0.24 4.11 -4.36 -1.26 -5.04 121.20 118.01 3d50 s ILE 57 Ca 0.27 -0.91 -0.29 0.00 -0.26 0.00 0.00 60.65 59.46 3d50 s ILE 57 Cb -0.10 -3.21 -0.02 0.00 1.25 0.00 0.00 42.46 40.38 3d50 s ILE 57 CO -0.09 0.03 1.53 -0.62 0.24 0.00 0.00 174.94 176.03 3d50 s ASP 58 N -2.66 6.46 0.00 4.36 -1.08 -1.26 -4.65 116.67 117.84 3d50 s ASP 58 Ca 0.30 1.51 0.23 0.00 -0.52 0.00 0.00 52.55 54.07 3d50 s ASP 58 Cb -0.11 -2.53 0.75 0.00 -1.46 0.00 0.00 42.92 39.56 3d50 s ASP 58 CO 0.22 -1.20 1.56 0.61 0.52 0.00 0.00 175.17 176.88 3d50 n GLY 59 N 4.55 0.43 0.00 2.66 0.00 0.37 -5.02 105.19 108.19 3d50 n GLY 59 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3d50 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d50 n GLY 60 N 1.20 1.06 0.36 -0.02 0.00 -1.26 -3.63 105.19 102.91 3d50 n GLY 60 Ca 0.17 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.65 3d50 n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3d50 h VAL 61 N 0.00 0.96 -2.03 1.61 -1.51 -1.93 -2.92 116.25 110.44 3d50 h VAL 61 Ca 0.00 -0.27 -0.69 0.00 -1.23 0.00 0.00 66.70 64.51 3d50 h VAL 61 Cb 0.00 0.11 -0.16 0.00 -2.13 0.00 0.00 31.29 29.11 3d50 h VAL 61 CO 0.00 0.14 1.19 0.86 -1.23 0.00 0.00 177.57 178.53 3d50 s TRP 62 N -5.72 3.12 0.39 5.19 -0.00 -1.23 -4.49 118.94 116.20 3d50 s TRP 62 Ca -0.10 -1.55 0.17 0.00 -0.00 0.00 0.00 56.10 54.62 3d50 s TRP 62 Cb 0.20 -4.39 1.06 0.00 -0.00 0.00 0.00 33.47 30.34 3d50 s TRP 62 CO 0.78 -1.55 1.78 0.87 -0.00 0.00 0.00 176.95 178.83 3d50 h LYS 63 N 8.38 0.43 -0.48 5.86 1.79 -1.81 -0.41 116.57 130.32 3d50 h LYS 63 Ca 0.23 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3d50 h LYS 63 Cb 0.97 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 3d50 h LYS 63 CO 1.22 0.28 0.00 1.04 -1.08 0.00 0.00 179.45 180.91 3d50 n GLN 64 N -4.64 3.21 0.00 3.15 6.02 -1.26 -0.48 117.38 123.37 3d50 n GLN 64 Ca 0.25 -2.59 0.00 0.00 -0.01 0.00 0.00 57.00 54.65 3d50 n GLN 64 Cb 0.82 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.43 3d50 n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d50 n GLY 65 N 0.63 2.65 3.57 1.08 0.00 -0.16 -4.64 105.19 108.32 3d50 n GLY 65 Ca 0.20 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3d50 n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3d50 s TRP 66 N 3.25 0.61 -0.50 1.61 -2.14 -1.26 -4.10 118.94 116.41 3d50 s TRP 66 Ca 0.00 -0.96 -0.28 0.00 2.66 0.00 0.00 56.10 57.52 3d50 s TRP 66 Cb 0.00 0.15 0.01 0.00 -3.10 0.00 0.00 33.47 30.53 3d50 s TRP 66 CO 0.00 -1.11 1.46 -0.80 -2.66 0.00 0.00 176.95 173.84 3d50 s ASN 67 N -3.11 6.14 0.22 -2.66 0.01 -1.24 -4.69 114.94 109.60 3d50 s ASN 67 Ca 0.25 0.54 -0.30 0.00 -0.71 0.00 0.00 52.86 52.64 3d50 s ASN 67 Cb -0.01 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.03 3d50 s ASN 67 CO 0.14 -1.65 1.06 -0.63 -1.51 0.00 0.00 177.10 174.50 3d50 s ILE 68 N 6.07 3.83 0.08 0.60 1.01 -1.26 -5.03 121.20 126.50 3d50 s ILE 68 Ca 0.58 1.70 0.10 0.00 0.00 0.00 0.00 60.65 63.03 3d50 s ILE 68 Cb -0.12 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 3d50 s ILE 68 CO 0.28 0.35 -0.26 -0.54 0.00 0.00 0.00 174.94 174.77 3d50 s LYS 69 N -0.84 1.60 0.08 2.79 1.02 -1.26 -4.97 119.74 118.15 3d50 s LYS 69 Ca 0.46 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 55.25 3d50 s LYS 69 Cb -0.29 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 3d50 s LYS 69 CO 0.36 0.48 -0.05 1.52 -0.92 0.00 0.00 175.35 176.73 3d50 s TYR 70 N -0.92 0.77 -0.39 3.18 1.13 -1.26 -4.99 117.35 114.87 3d50 s TYR 70 Ca 0.12 -0.96 -0.20 0.00 -1.41 0.00 0.00 57.07 54.62 3d50 s TYR 70 Cb -0.10 -0.47 0.01 0.00 -1.10 0.00 0.00 41.96 40.30 3d50 s TYR 70 CO 0.04 -0.22 0.61 0.34 -2.51 0.00 0.00 175.55 173.80 3d50 s ASP 71 N -2.98 6.36 0.64 -0.18 -1.08 -1.26 -4.95 116.67 113.23 3d50 s ASP 71 Ca 0.10 -0.08 0.37 0.00 -0.52 0.00 0.00 52.55 52.41 3d50 s ASP 71 Cb 0.06 -2.31 2.05 0.00 -1.46 0.00 0.00 42.92 41.26 3d50 s ASP 71 CO -0.06 -0.64 2.21 1.55 0.52 0.00 0.00 175.17 178.75 3d50 h PRO 72 N 8.62 0.00 -0.00 4.34 0.13 -2.00 -0.47 132.00 142.62 3d50 h PRO 72 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3d50 h PRO 72 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3d50 h PRO 72 CO 0.84 0.00 -0.01 1.28 -0.23 0.00 0.00 178.00 179.89 3d50 n LEU 73 N -3.26 0.43 -0.21 1.56 4.77 -1.26 -3.78 117.00 115.25 3d50 n LEU 73 Ca -0.02 -0.13 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 3d50 n LEU 73 Cb 0.19 -0.02 0.14 0.00 -2.33 0.00 0.00 43.42 41.40 3d50 n LEU 73 CO 0.21 0.07 1.03 0.50 -1.33 0.00 0.00 177.39 177.87 3d50 h LYS 74 N 0.67 1.01 -5.48 3.23 3.64 -1.49 -3.41 116.57 114.74 3d50 h LYS 74 Ca 0.00 -0.19 -0.64 0.00 -1.27 0.00 0.00 60.65 58.56 3d50 h LYS 74 Cb 0.16 -0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 3d50 h LYS 74 CO 0.00 0.84 -0.49 0.71 -2.27 0.00 0.00 179.45 178.24 3d50 s TYR 75 N -5.41 3.50 0.13 1.91 2.02 -1.25 -4.93 117.35 113.32 3d50 s TYR 75 Ca -0.11 0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.99 3d50 s TYR 75 Cb 0.16 -2.03 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 3d50 s TYR 75 CO 0.82 0.52 0.20 0.27 -1.57 0.00 0.00 175.55 175.80 3d50 n ASN 76 N 2.68 -0.57 0.26 2.29 0.23 -0.06 -4.90 115.26 115.19 3d50 n ASN 76 Ca -0.18 -1.67 0.10 0.00 -0.53 0.00 0.00 54.58 52.29 3d50 n ASN 76 Cb 0.54 1.04 0.70 0.00 -2.08 0.00 0.00 39.78 39.97 3d50 n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d50 h ALA 77 N 1.73 1.92 -0.01 -2.53 0.00 -1.95 -0.63 119.26 117.79 3d50 h ALA 77 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3d50 h ALA 77 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3d50 h ALA 77 CO 0.14 -0.02 -0.43 0.72 0.00 0.00 0.00 179.25 179.66 3d50 n HIS 78 N -4.39 0.00 -3.31 0.00 8.25 -1.26 -4.65 115.22 109.86 3d50 n HIS 78 Ca -0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.26 3d50 n HIS 78 Cb 0.11 -0.06 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 3d50 n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3d50 s HIS 79 N -2.54 -0.19 0.26 4.41 5.04 -0.25 -5.13 115.29 116.88 3d50 s HIS 79 Ca 0.20 -1.06 -0.06 0.00 -1.54 0.00 0.00 55.06 52.60 3d50 s HIS 79 Cb 0.18 -0.42 -0.06 0.00 0.04 0.00 0.00 32.58 32.32 3d50 s HIS 79 CO 0.58 -0.98 0.53 0.15 -2.34 0.00 0.00 174.74 172.68 3d50 s LYS 80 N 1.15 3.67 -0.27 2.88 1.02 -1.21 -0.88 119.74 126.10 3d50 s LYS 80 Ca 0.21 0.06 -0.24 0.00 0.02 0.00 0.00 55.97 56.01 3d50 s LYS 80 Cb -0.11 -2.67 -0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3d50 s LYS 80 CO -0.05 0.27 0.83 -1.17 -0.92 0.00 0.00 175.35 174.31 3d50 s LEU 81 N -3.25 4.07 -0.37 3.17 2.96 -0.52 -4.87 118.68 119.87 3d50 s LEU 81 Ca 0.44 0.90 -0.15 0.00 -0.22 0.00 0.00 54.13 55.10 3d50 s LEU 81 Cb -0.11 -3.17 -0.00 0.00 0.50 0.00 0.00 46.19 43.41 3d50 s LEU 81 CO 0.27 -0.57 0.36 -0.75 -1.32 0.00 0.00 176.35 174.34 3d50 s LYS 82 N 2.93 3.38 -0.18 1.98 2.47 0.55 -1.19 119.74 129.68 3d50 s LYS 82 Ca 0.35 -0.58 -0.03 0.00 -1.56 0.00 0.00 55.97 54.14 3d50 s LYS 82 Cb -0.15 -3.86 -0.02 0.00 -1.46 0.00 0.00 37.83 32.34 3d50 s LYS 82 CO 0.10 -0.62 -0.04 0.08 0.16 0.00 0.00 175.35 175.02 3d50 s VAL 83 N 1.99 3.64 -0.26 4.02 1.01 -0.15 -0.38 120.40 130.26 3d50 s VAL 83 Ca 0.11 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 3d50 s VAL 83 Cb -0.17 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.61 3d50 s VAL 83 CO 0.12 0.47 -0.02 -0.36 0.00 0.00 0.00 175.10 175.30 3d50 s PHE 84 N 0.78 3.08 -0.34 5.22 0.08 -0.06 -1.62 117.98 125.11 3d50 s PHE 84 Ca -0.02 -1.35 -0.14 0.00 0.12 0.00 0.00 56.93 55.54 3d50 s PHE 84 Cb -0.15 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 3d50 s PHE 84 CO 0.02 -0.67 0.32 0.08 -0.10 0.00 0.00 175.22 174.86 3d50 s VAL 85 N 1.38 5.21 -0.40 -0.44 1.01 -0.47 -0.95 120.40 125.74 3d50 s VAL 85 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 3d50 s VAL 85 Cb -0.17 -3.79 0.11 0.00 0.00 0.00 0.00 36.38 32.53 3d50 s VAL 85 CO -0.03 -0.08 0.19 -0.69 0.00 0.00 0.00 175.10 174.50 3d50 s VAL 86 N 1.91 3.23 0.31 2.92 1.01 -0.05 -0.87 120.40 128.86 3d50 s VAL 86 Ca 0.10 -2.07 -0.29 0.00 0.00 0.00 0.00 61.98 59.72 3d50 s VAL 86 Cb -0.17 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 3d50 s VAL 86 CO 0.11 -0.68 1.32 -2.84 0.00 0.00 0.00 175.10 173.01 3d50 s PRO 87 N 1.13 4.36 0.21 2.72 0.02 -1.26 -1.11 135.00 141.07 3d50 s PRO 87 Ca 0.08 2.20 -0.13 0.00 0.02 0.00 0.00 61.00 63.17 3d50 s PRO 87 Cb -0.23 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3d50 s PRO 87 CO -0.04 -0.21 0.44 -3.38 -0.33 0.00 0.00 177.00 173.48 3d50 s HIS 88 N -0.88 0.25 -0.18 6.54 -3.43 -0.78 -1.42 115.29 115.40 3d50 s HIS 88 Ca 0.51 -0.61 -0.04 0.00 -0.80 0.00 0.00 55.06 54.11 3d50 s HIS 88 Cb -0.39 0.18 0.09 0.00 -1.43 0.00 0.00 32.58 31.02 3d50 s HIS 88 CO 0.50 -0.91 0.26 0.45 -2.00 0.00 0.00 174.74 173.04 3d50 s SER 89 N -2.97 0.80 -0.40 7.38 0.15 -1.26 -3.90 113.70 113.50 3d50 s SER 89 Ca 0.18 0.17 -0.26 0.00 0.70 0.00 0.00 55.95 56.74 3d50 s SER 89 Cb 0.00 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 64.95 3d50 s SER 89 CO 0.04 -0.29 0.95 -2.28 1.20 0.00 0.00 173.24 172.86 3d50 s HIS 90 N 2.40 3.02 -0.35 3.44 2.46 -0.66 -4.75 115.29 120.84 3d50 s HIS 90 Ca 0.06 0.68 -0.04 0.00 0.47 0.00 0.00 55.06 56.23 3d50 s HIS 90 Cb -0.14 -3.80 0.07 0.00 -0.13 0.00 0.00 32.58 28.57 3d50 s HIS 90 CO -0.11 -0.93 0.11 -0.80 -2.47 0.00 0.00 174.74 170.53 3d50 s ASN 91 N 2.02 5.16 -0.07 9.88 0.02 -1.26 0.15 114.94 130.84 3d50 s ASN 91 Ca 0.39 -1.50 -0.30 0.00 -1.02 0.00 0.00 52.86 50.43 3d50 s ASN 91 Cb -0.11 -1.80 -0.03 0.00 0.02 0.00 0.00 41.25 39.33 3d50 s ASN 91 CO 0.22 -0.39 1.18 -1.81 0.02 0.00 0.00 177.10 176.32 3d50 s ASP 92 N 1.53 7.07 -1.23 -1.22 1.01 -1.26 -4.92 116.67 117.66 3d50 s ASP 92 Ca 0.00 1.77 -0.15 0.00 0.71 0.00 0.00 52.55 54.88 3d50 s ASP 92 Cb -0.21 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 3d50 s ASP 92 CO -0.01 -0.57 2.21 -2.65 0.21 0.00 0.00 175.17 174.36 3d50 n PRO 93 N 5.22 2.48 0.00 8.23 -0.02 -1.26 -4.62 135.00 145.02 3d50 n PRO 93 Ca 0.11 -2.25 0.00 0.00 -2.02 0.00 0.00 63.50 59.34 3d50 n PRO 93 Cb 0.46 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.88 3d50 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d50 n GLY 94 N 4.15 1.48 0.00 -1.23 0.00 -1.26 -4.54 105.19 103.79 3d50 n GLY 94 Ca 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3d50 n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3d50 n TRP 95 N 1.74 0.00 0.42 1.61 -0.00 -1.26 -4.69 117.44 115.25 3d50 n TRP 95 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.62 3d50 n TRP 95 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 31.31 31.46 3d50 n TRP 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 3d50 h ILE 96 N 0.00 0.00 -3.49 5.87 2.04 -1.94 -0.97 117.51 119.03 3d50 h ILE 96 Ca 0.00 -0.68 -0.34 0.00 1.00 0.00 0.00 64.86 64.84 3d50 h ILE 96 Cb 0.00 1.33 -0.14 0.00 -0.74 0.00 0.00 36.82 37.27 3d50 h ILE 96 CO 0.00 0.00 -0.66 -1.10 0.00 0.00 0.00 178.15 176.39 3d50 s GLN 97 N -3.21 1.24 0.89 2.37 -0.21 -1.26 -4.87 119.66 114.60 3d50 s GLN 97 Ca 0.05 -1.61 -0.12 0.00 0.02 0.00 0.00 55.36 53.70 3d50 s GLN 97 Cb 0.11 -0.49 0.12 0.00 1.00 0.00 0.00 33.01 33.76 3d50 s GLN 97 CO 0.72 -0.10 1.10 0.95 -2.12 0.00 0.00 175.29 175.83 3d50 s THR 98 N -3.50 2.66 0.20 -0.19 -4.23 -1.26 -4.22 115.64 105.09 3d50 s THR 98 Ca 0.26 0.21 -0.18 0.00 -1.18 0.00 0.00 61.69 60.81 3d50 s THR 98 Cb 0.06 -2.76 0.17 0.00 1.34 0.00 0.00 72.50 71.31 3d50 s THR 98 CO 0.07 -0.28 1.60 0.15 -0.54 0.00 0.00 174.62 175.62 3d50 h PHE 99 N -1.49 -0.65 -0.38 3.99 3.57 -1.90 -0.96 116.94 119.13 3d50 h PHE 99 Ca -0.49 0.06 -0.12 0.00 3.53 0.00 0.00 57.97 60.95 3d50 h PHE 99 Cb 1.29 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 3d50 h PHE 99 CO 0.41 -0.34 -0.24 1.49 -2.23 0.00 0.00 178.31 177.41 3d50 h GLU 100 N -0.10 0.77 -0.33 1.11 4.57 -1.97 -0.24 114.58 118.38 3d50 h GLU 100 Ca 0.26 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3d50 h GLU 100 Cb 0.52 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3d50 h GLU 100 CO -0.66 0.93 0.09 0.93 -1.18 0.00 0.00 179.01 179.12 3d50 h GLU 101 N 0.66 0.52 -0.84 1.92 5.08 -1.81 -0.03 114.58 120.09 3d50 h GLU 101 Ca 0.09 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3d50 h GLU 101 Cb 0.75 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 3d50 h GLU 101 CO 0.06 0.57 0.48 1.88 -1.00 0.00 0.00 179.01 181.00 3d50 h TYR 102 N 0.37 1.13 -0.27 4.33 0.05 -1.02 0.26 116.97 121.82 3d50 h TYR 102 Ca 0.10 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 3d50 h TYR 102 Cb 0.28 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 3d50 h TYR 102 CO 0.01 0.77 0.15 -0.92 -1.05 0.00 0.00 178.16 177.12 3d50 h TYR 103 N 1.16 0.36 -0.35 4.88 3.20 -0.74 0.17 116.97 125.65 3d50 h TYR 103 Ca 0.30 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.03 3d50 h TYR 103 Cb -0.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3d50 h TYR 103 CO 0.00 0.30 -0.27 1.96 -1.64 0.00 0.00 178.16 178.51 3d50 h GLN 104 N 0.33 0.81 0.03 1.82 1.08 -0.76 -1.21 115.11 117.21 3d50 h GLN 104 Ca 0.10 -0.40 -0.25 0.00 -1.45 0.00 0.00 58.65 56.65 3d50 h GLN 104 Cb 0.05 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 3d50 h GLN 104 CO -0.02 1.03 -1.27 0.45 -0.95 0.00 0.00 178.83 178.08 3d50 h HIS 105 N 0.60 0.12 0.00 2.96 3.86 -0.87 -3.45 115.15 118.37 3d50 h HIS 105 Ca 0.07 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3d50 h HIS 105 Cb 0.84 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 3d50 h HIS 105 CO 0.06 1.09 0.00 -0.25 0.86 0.00 0.00 177.93 179.69 3d50 n ASP 106 N -3.31 0.31 -0.04 2.45 8.00 0.46 -4.89 116.55 119.52 3d50 n ASP 106 Ca -0.07 0.33 -0.07 0.00 0.71 0.00 0.00 54.79 55.69 3d50 n ASP 106 Cb 0.99 0.11 0.11 0.00 -0.02 0.00 0.00 41.12 42.31 3d50 n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3d50 h THR 107 N 0.00 1.28 -0.20 -3.53 2.02 -1.16 -1.34 112.91 109.98 3d50 h THR 107 Ca 0.00 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.73 3d50 h THR 107 Cb 0.00 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3d50 h THR 107 CO 0.00 0.46 -0.08 0.07 0.37 0.00 0.00 175.52 176.34 3d50 h LYS 108 N 0.56 0.31 -0.10 6.66 2.10 -1.46 -0.90 116.57 123.74 3d50 h LYS 108 Ca 0.07 -0.06 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 3d50 h LYS 108 Cb 0.78 -0.05 0.01 0.00 -0.90 0.00 0.00 32.23 32.07 3d50 h LYS 108 CO 0.06 0.40 -0.49 0.45 -2.00 0.00 0.00 179.45 177.87 3d50 h HIS 109 N 0.30 0.69 -0.08 0.07 3.86 -1.60 -1.44 115.15 116.95 3d50 h HIS 109 Ca 0.06 -0.30 0.01 0.00 -1.16 0.00 0.00 60.37 58.98 3d50 h HIS 109 Cb 0.33 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3d50 h HIS 109 CO 0.01 1.08 0.00 0.82 0.86 0.00 0.00 177.93 180.70 3d50 h ILE 110 N 0.11 0.95 -0.39 2.45 2.04 -0.94 -0.06 117.51 121.66 3d50 h ILE 110 Ca -0.03 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 3d50 h ILE 110 Cb 1.14 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3d50 h ILE 110 CO 0.10 0.01 0.00 -0.07 0.00 0.00 0.00 178.15 178.19 3d50 h LEU 111 N 0.03 0.68 -0.35 1.44 3.38 -1.21 0.24 115.31 119.53 3d50 h LEU 111 Ca 0.04 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3d50 h LEU 111 Cb 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3d50 h LEU 111 CO -0.06 0.82 0.19 -1.28 0.09 0.00 0.00 178.44 178.20 3d50 h SER 112 N 0.52 0.29 0.82 -0.43 0.87 -1.20 -1.77 113.55 112.65 3d50 h SER 112 Ca 0.11 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 3d50 h SER 112 Cb 0.47 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3d50 h SER 112 CO 0.02 0.21 -0.35 0.78 -0.53 0.00 0.00 176.83 176.96 3d50 h ASN 113 N 0.38 0.00 -0.16 6.23 2.35 -0.91 -2.61 115.58 120.85 3d50 h ASN 113 Ca 0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3d50 h ASN 113 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3d50 h ASN 113 CO -0.08 0.35 0.06 0.00 -1.65 0.00 0.00 177.43 176.10 3d50 h ALA 114 N 1.65 0.21 -0.49 -0.83 0.00 -0.19 -0.74 119.26 118.87 3d50 h ALA 114 Ca -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3d50 h ALA 114 Cb 0.85 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3d50 h ALA 114 CO 0.05 -0.18 0.17 1.25 0.00 0.00 0.00 179.25 180.53 3d50 h LEU 115 N 0.10 0.16 0.04 0.00 5.85 -1.22 -0.66 115.31 119.58 3d50 h LEU 115 Ca 0.05 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3d50 h LEU 115 Cb 0.20 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3d50 h LEU 115 CO -0.00 0.12 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.11 3d50 h ARG 116 N 0.34 -0.05 -0.27 1.25 2.43 -1.32 -1.70 114.38 115.06 3d50 h ARG 116 Ca 0.24 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3d50 h ARG 116 Cb 0.26 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3d50 h ARG 116 CO -0.25 0.35 0.08 1.25 -1.51 0.00 0.00 179.97 179.89 3d50 h HIS 117 N -0.46 0.44 -0.57 2.20 2.76 -1.00 -1.29 115.15 117.23 3d50 h HIS 117 Ca -0.01 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 3d50 h HIS 117 Cb 0.42 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 3d50 h HIS 117 CO 0.06 0.48 0.33 -0.07 -1.30 0.00 0.00 177.93 177.44 3d50 h LEU 118 N 0.27 0.70 -0.36 0.26 3.38 -1.20 -0.21 115.31 118.16 3d50 h LEU 118 Ca 0.09 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3d50 h LEU 118 Cb 0.25 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3d50 h LEU 118 CO -0.00 0.57 0.13 -0.74 0.09 0.00 0.00 178.44 178.48 3d50 h HIS 119 N 0.77 0.23 0.00 1.13 2.76 -1.08 -2.91 115.15 116.06 3d50 h HIS 119 Ca 0.20 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3d50 h HIS 119 Cb 0.01 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.92 3d50 h HIS 119 CO -0.02 0.10 0.00 -0.44 -1.30 0.00 0.00 177.93 176.27 3d50 h ASP 120 N 0.28 0.00 -3.47 3.26 3.32 -0.85 -3.40 116.42 115.56 3d50 h ASP 120 Ca 0.16 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.60 3d50 h ASP 120 Cb 0.13 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.28 3d50 h ASP 120 CO -0.16 0.00 -0.73 0.20 -1.72 0.00 0.00 179.24 176.83 3d50 s ASN 121 N -5.74 3.68 0.65 6.45 0.01 -0.12 -5.02 114.94 114.85 3d50 s ASN 121 Ca 0.05 -2.82 0.43 0.00 -0.71 0.00 0.00 52.86 49.81 3d50 s ASN 121 Cb 0.07 -1.12 2.25 0.00 0.41 0.00 0.00 41.25 42.87 3d50 s ASN 121 CO 0.60 -0.24 2.31 -0.65 -1.51 0.00 0.00 177.10 177.62 3d50 h PRO 122 N 6.50 0.00 -0.00 -0.60 0.11 -1.79 -0.78 132.00 135.43 3d50 h PRO 122 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3d50 h PRO 122 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3d50 h PRO 122 CO 0.52 0.00 -0.66 0.39 -0.21 0.00 0.00 178.00 178.04 3d50 n GLU 123 N -3.11 0.37 -2.48 1.05 -0.58 -1.26 -4.91 120.64 109.72 3d50 n GLU 123 Ca -0.02 -0.28 -0.35 0.00 -0.42 0.00 0.00 57.16 56.09 3d50 n GLU 123 Cb 0.11 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.46 3d50 n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3d50 s MET 124 N -2.82 3.86 0.17 3.49 1.75 -0.30 -4.67 119.30 120.77 3d50 s MET 124 Ca 0.13 1.49 0.04 0.00 -1.25 0.00 0.00 55.69 56.10 3d50 s MET 124 Cb 0.17 -2.26 -0.05 0.00 2.84 0.00 0.00 34.83 35.54 3d50 s MET 124 CO 0.72 -0.40 -0.07 0.15 -0.65 0.00 0.00 175.02 174.76 3d50 s LYS 125 N -2.95 1.12 -0.27 4.11 -0.14 -1.26 -4.81 119.74 115.54 3d50 s LYS 125 Ca 0.65 -1.50 -0.24 0.00 -1.36 0.00 0.00 55.97 53.51 3d50 s LYS 125 Cb -0.20 -0.60 0.08 0.00 -1.68 0.00 0.00 37.83 35.43 3d50 s LYS 125 CO 0.25 0.02 0.77 0.12 -0.76 0.00 0.00 175.35 175.75 3d50 s PHE 126 N -3.37 -0.76 0.05 3.18 5.36 -0.21 -4.36 117.98 117.87 3d50 s PHE 126 Ca 0.20 1.81 0.03 0.00 -0.96 0.00 0.00 56.93 58.01 3d50 s PHE 126 Cb 0.03 0.31 -0.04 0.00 -0.34 0.00 0.00 43.02 42.99 3d50 s PHE 126 CO 0.02 -0.36 0.02 0.96 -1.46 0.00 0.00 175.22 174.40 3d50 s ILE 127 N 0.46 4.21 -0.04 3.12 -4.36 -0.51 -1.16 121.20 122.93 3d50 s ILE 127 Ca -0.00 -0.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.64 3d50 s ILE 127 Cb -0.05 -2.96 0.01 0.00 1.25 0.00 0.00 42.46 40.72 3d50 s ILE 127 CO -0.02 0.23 -0.06 0.86 0.24 0.00 0.00 174.94 176.20 3d50 s TRP 128 N -1.23 0.78 -0.18 1.37 -0.11 -0.42 -4.37 118.94 114.78 3d50 s TRP 128 Ca 0.24 -0.21 -0.00 0.00 1.22 0.00 0.00 56.10 57.35 3d50 s TRP 128 Cb -0.12 -0.63 -0.11 0.00 -1.50 0.00 0.00 33.47 31.11 3d50 s TRP 128 CO 0.16 -0.15 -0.17 0.00 -4.62 0.00 0.00 176.95 172.17 3d50 n ALA 129 N 3.74 1.65 -3.06 5.86 0.00 -1.26 -1.21 120.51 126.23 3d50 n ALA 129 Ca -0.23 -0.75 -0.44 0.00 0.00 0.00 0.00 53.44 52.02 3d50 n ALA 129 Cb 0.52 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 20.05 3d50 n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3d50 s GLU 130 N -2.35 3.06 0.43 0.00 8.01 -1.26 -3.98 118.70 122.61 3d50 s GLU 130 Ca -0.24 -1.22 0.24 0.00 0.01 0.00 0.00 54.97 53.75 3d50 s GLU 130 Cb 0.07 -4.26 0.63 0.00 -4.31 0.00 0.00 34.13 26.25 3d50 s GLU 130 CO 0.39 -1.60 1.70 0.82 0.01 0.00 0.00 175.26 176.58 3d50 h ILE 131 N 5.93 0.31 -0.33 -1.63 1.08 -1.25 -2.79 117.51 118.83 3d50 h ILE 131 Ca -0.29 -1.18 0.05 0.00 -0.39 0.00 0.00 64.86 63.05 3d50 h ILE 131 Cb 1.08 1.93 -0.05 0.00 -3.07 0.00 0.00 36.82 36.72 3d50 h ILE 131 CO 1.12 0.15 0.04 0.77 -0.69 0.00 0.00 178.15 179.54 3d50 h SER 132 N 0.00 -0.05 -0.71 1.72 4.64 -1.42 0.16 113.55 117.88 3d50 h SER 132 Ca -0.00 0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 3d50 h SER 132 Cb 0.92 0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 3d50 h SER 132 CO 0.02 0.01 0.17 1.88 -0.87 0.00 0.00 176.83 178.04 3d50 h TYR 133 N 0.14 1.20 -0.56 4.77 0.05 -1.78 -2.16 116.97 118.64 3d50 h TYR 133 Ca 0.16 -0.15 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 3d50 h TYR 133 Cb 0.20 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3d50 h TYR 133 CO -0.21 0.98 -0.04 0.35 -1.05 0.00 0.00 178.16 178.19 3d50 h PHE 134 N 1.08 1.13 -0.57 4.88 3.57 -1.00 -1.35 116.94 124.69 3d50 h PHE 134 Ca 0.22 -0.21 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3d50 h PHE 134 Cb 0.38 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3d50 h PHE 134 CO 0.03 1.03 -0.02 0.00 -2.23 0.00 0.00 178.31 177.12 3d50 h ALA 135 N 0.95 0.90 -0.87 2.41 0.00 -0.72 0.92 119.26 122.86 3d50 h ALA 135 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3d50 h ALA 135 Cb 0.60 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3d50 h ALA 135 CO 0.04 0.65 0.55 -0.09 0.00 0.00 0.00 179.25 180.40 3d50 h ARG 136 N 0.90 1.15 0.02 0.00 9.65 -1.07 -2.59 114.38 122.44 3d50 h ARG 136 Ca 0.16 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3d50 h ARG 136 Cb 0.55 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 3d50 h ARG 136 CO 0.03 0.78 -0.01 0.35 2.80 0.00 0.00 179.97 183.93 3d50 h PHE 137 N 1.18 -0.02 0.00 2.20 3.57 -0.85 -3.33 116.94 119.70 3d50 h PHE 137 Ca 0.31 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3d50 h PHE 137 Cb -0.10 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3d50 h PHE 137 CO -0.01 0.48 -0.23 -0.92 -2.23 0.00 0.00 178.31 175.41 3d50 h TYR 138 N -0.54 0.00 -0.00 0.41 3.20 -0.63 0.58 116.97 119.99 3d50 h TYR 138 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3d50 h TYR 138 Cb 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3d50 h TYR 138 CO 0.10 0.23 -0.32 0.72 -1.64 0.00 0.00 178.16 177.25 3d50 n HIS 139 N -3.66 0.00 1.49 -3.82 8.25 -0.99 -2.46 115.22 114.02 3d50 n HIS 139 Ca -0.01 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 3d50 n HIS 139 Cb 0.35 -0.31 0.70 0.00 1.12 0.00 0.00 29.99 31.84 3d50 n HIS 139 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3d50 n ASP 140 N -1.44 0.28 -4.77 0.41 8.00 0.19 -4.92 116.55 114.30 3d50 n ASP 140 Ca 0.07 -0.51 -0.39 0.00 0.71 0.00 0.00 54.79 54.66 3d50 n ASP 140 Cb 0.33 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 3d50 n ASP 140 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3d50 s LEU 141 N -2.44 4.52 0.90 0.64 1.43 -1.03 -5.07 118.68 117.64 3d50 s LEU 141 Ca 0.31 1.50 -0.10 0.00 -1.03 0.00 0.00 54.13 54.81 3d50 s LEU 141 Cb 0.20 -3.20 0.14 0.00 0.03 0.00 0.00 46.19 43.36 3d50 s LEU 141 CO 0.45 0.14 1.14 -0.83 0.23 0.00 0.00 176.35 177.48 3d50 s GLY 142 N -0.69 1.68 0.41 -3.19 0.00 -1.26 -4.76 107.32 99.52 3d50 s GLY 142 Ca 0.36 0.53 0.08 0.00 0.00 0.00 0.00 44.72 45.69 3d50 s GLY 142 CO 0.24 0.95 2.03 -2.09 0.00 0.00 0.00 173.10 174.22 3d50 h GLU 143 N -1.79 0.44 -0.22 2.90 4.57 -1.98 -1.17 114.58 117.33 3d50 h GLU 143 Ca -0.44 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 3d50 h GLU 143 Cb 1.26 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 3d50 h GLU 143 CO 0.43 0.34 0.07 -0.97 -1.18 0.00 0.00 179.01 177.70 3d50 h ASN 144 N 0.45 0.33 -0.14 1.04 -0.73 -2.00 -1.57 115.58 112.95 3d50 h ASN 144 Ca 0.12 -0.21 -0.10 0.00 1.87 0.00 0.00 56.30 57.98 3d50 h ASN 144 Cb 0.04 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 3d50 h ASN 144 CO -0.02 0.45 -0.21 0.11 -0.37 0.00 0.00 177.43 177.39 3d50 h LYS 145 N 0.18 0.57 -0.47 6.67 1.79 -1.79 -1.81 116.57 121.72 3d50 h LYS 145 Ca 0.07 -0.21 0.07 0.00 -2.18 0.00 0.00 60.65 58.40 3d50 h LYS 145 Cb 0.24 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.80 3d50 h LYS 145 CO -0.00 0.75 0.14 0.87 -1.08 0.00 0.00 179.45 180.13 3d50 h LYS 146 N 0.51 0.29 -0.56 3.15 1.57 -1.03 -0.26 116.57 120.25 3d50 h LYS 146 Ca 0.08 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3d50 h LYS 146 Cb 0.65 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 3d50 h LYS 146 CO 0.05 0.19 0.12 -0.07 -0.57 0.00 0.00 179.45 179.17 3d50 h LEU 147 N 0.30 0.82 -0.79 2.94 3.38 -1.06 -0.75 115.31 120.16 3d50 h LEU 147 Ca 0.23 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3d50 h LEU 147 Cb 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3d50 h LEU 147 CO -0.25 0.82 0.27 1.56 0.09 0.00 0.00 178.44 180.93 3d50 h GLN 148 N 0.84 1.18 -0.16 1.13 4.20 -0.94 -2.29 115.11 119.07 3d50 h GLN 148 Ca 0.18 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3d50 h GLN 148 Cb 0.33 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3d50 h GLN 148 CO 0.00 0.98 -0.02 1.98 -0.67 0.00 0.00 178.83 181.09 3d50 h MET 149 N 1.14 0.30 -0.45 1.46 4.05 -0.63 -2.52 114.93 118.27 3d50 h MET 149 Ca 0.25 -0.11 0.03 0.00 -0.28 0.00 0.00 59.70 59.60 3d50 h MET 149 Cb 0.26 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 3d50 h MET 149 CO -0.01 0.55 0.30 0.87 0.23 0.00 0.00 176.91 178.85 3d50 h LYS 150 N 0.01 0.47 -0.02 0.39 1.57 -1.04 -1.95 116.57 116.01 3d50 h LYS 150 Ca 0.04 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 3d50 h LYS 150 Cb 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3d50 h LYS 150 CO 0.01 0.31 -0.83 0.66 -0.57 0.00 0.00 179.45 179.04 3d50 h SER 151 N 0.49 0.35 0.92 0.86 4.64 -1.17 0.19 113.55 119.83 3d50 h SER 151 Ca 0.19 -0.26 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 3d50 h SER 151 Cb 0.14 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3d50 h SER 151 CO -0.05 1.03 -0.38 0.16 -0.87 0.00 0.00 176.83 176.73 3d50 h ILE 152 N 0.17 0.85 0.06 0.95 3.07 -1.03 -1.37 117.51 120.21 3d50 h ILE 152 Ca -0.04 -1.56 -0.00 0.00 1.55 0.00 0.00 64.86 64.80 3d50 h ILE 152 Cb 1.43 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 39.95 3d50 h ILE 152 CO 0.13 0.37 -0.03 0.58 -1.05 0.00 0.00 178.15 178.15 3d50 h VAL 153 N 0.00 1.25 -0.81 0.16 2.07 -1.15 -1.36 116.25 116.40 3d50 h VAL 153 Ca -0.00 -1.23 0.15 0.00 0.82 0.00 0.00 66.70 66.44 3d50 h VAL 153 Cb 0.94 2.03 -0.10 0.00 -1.52 0.00 0.00 31.29 32.64 3d50 h VAL 153 CO 0.05 0.30 0.37 0.50 0.02 0.00 0.00 177.57 178.81 3d50 h LYS 154 N -0.65 0.50 -0.00 1.57 3.64 -0.56 -1.43 116.57 119.63 3d50 h LYS 154 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3d50 h LYS 154 Cb 0.55 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3d50 h LYS 154 CO 0.01 0.33 0.00 0.27 -2.27 0.00 0.00 179.45 177.80 3d50 n ASN 155 N -4.95 0.02 0.00 4.20 6.94 -0.52 -4.94 115.26 116.01 3d50 n ASN 155 Ca 0.16 -1.30 0.00 0.00 -0.02 0.00 0.00 54.58 53.43 3d50 n ASN 155 Cb 0.45 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 3d50 n ASN 155 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d50 n GLY 156 N 0.86 0.61 0.15 4.83 0.00 -0.54 -4.95 105.19 106.15 3d50 n GLY 156 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3d50 n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d50 h GLN 157 N 1.53 0.50 -5.11 1.61 4.20 -1.50 -3.42 115.11 112.93 3d50 h GLN 157 Ca 0.00 -0.70 -0.65 0.00 0.06 0.00 0.00 58.65 57.36 3d50 h GLN 157 Cb 0.00 0.24 -0.25 0.00 0.30 0.00 0.00 27.48 27.77 3d50 h GLN 157 CO 0.00 1.31 -0.69 -1.17 -0.67 0.00 0.00 178.83 177.61 3d50 s LEU 158 N -7.66 3.10 -0.06 1.46 2.96 -0.85 -1.05 118.68 116.58 3d50 s LEU 158 Ca -0.08 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 3d50 s LEU 158 Cb 0.06 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 44.98 3d50 s LEU 158 CO 0.91 0.05 -0.16 -0.70 -1.32 0.00 0.00 176.35 175.14 3d50 s GLU 159 N 1.05 1.90 0.13 1.98 2.12 -0.31 -4.31 118.70 121.26 3d50 s GLU 159 Ca 0.01 -0.56 -0.24 0.00 0.36 0.00 0.00 54.97 54.54 3d50 s GLU 159 Cb -0.15 -1.58 -0.07 0.00 0.26 0.00 0.00 34.13 32.60 3d50 s GLU 159 CO 0.01 0.15 0.74 -0.06 -0.54 0.00 0.00 175.26 175.55 3d50 s PHE 160 N 0.33 3.86 -0.08 5.30 0.08 -1.26 -1.30 117.98 124.92 3d50 s PHE 160 Ca -0.10 1.54 0.05 0.00 0.12 0.00 0.00 56.93 58.54 3d50 s PHE 160 Cb -0.14 -2.73 -0.01 0.00 -0.57 0.00 0.00 43.02 39.57 3d50 s PHE 160 CO 0.04 0.49 -0.22 0.14 -0.10 0.00 0.00 175.22 175.57 3d50 s VAL 161 N -0.97 2.30 0.00 -0.44 -7.23 -0.35 -4.67 120.40 109.04 3d50 s VAL 161 Ca 0.35 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 3d50 s VAL 161 Cb -0.22 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.85 3d50 s VAL 161 CO 0.24 0.56 0.00 0.41 -0.31 0.00 0.00 175.10 176.01 3d50 n THR 162 N 3.10 0.00 -1.11 5.32 -1.04 0.40 -4.36 114.28 116.59 3d50 n THR 162 Ca -0.18 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.82 3d50 n THR 162 Cb 0.52 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3d50 n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d50 n GLY 163 N 0.00 0.43 3.85 3.41 0.00 -1.26 -4.65 105.19 106.97 3d50 n GLY 163 Ca 0.00 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 3d50 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d50 s GLY 164 N -2.99 1.66 0.46 -0.02 0.00 -1.26 -1.89 107.32 103.28 3d50 s GLY 164 Ca 0.00 -0.06 0.14 0.00 0.00 0.00 0.00 44.72 44.80 3d50 s GLY 164 CO 0.00 0.25 2.04 -0.25 0.00 0.00 0.00 173.10 175.14 3d50 h TRP 165 N -0.58 0.31 -4.41 1.90 -0.00 -1.49 -1.80 115.95 109.88 3d50 h TRP 165 Ca -0.44 0.01 -0.40 0.00 -0.00 0.00 0.00 58.89 58.06 3d50 h TRP 165 Cb 1.21 -0.10 -0.10 0.00 -0.00 0.00 0.00 29.16 30.16 3d50 h TRP 165 CO 0.61 0.17 -0.38 1.33 -0.00 0.00 0.00 178.44 180.18 3d50 n VAL 166 N -4.48 0.00 -3.53 2.65 0.24 -1.26 -1.34 118.33 110.61 3d50 n VAL 166 Ca 0.05 -2.07 -0.42 0.00 -2.04 0.00 0.00 64.34 59.87 3d50 n VAL 166 Cb 0.24 1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.60 3d50 n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3d50 s MET 167 N -3.13 2.78 0.61 7.34 -2.45 -1.26 -4.89 119.30 118.30 3d50 s MET 167 Ca 0.34 -2.10 -0.16 0.00 -1.25 0.00 0.00 55.69 52.52 3d50 s MET 167 Cb 0.01 -4.02 -0.02 0.00 1.25 0.00 0.00 34.83 32.05 3d50 s MET 167 CO 0.24 -1.22 1.10 -1.25 1.05 0.00 0.00 175.02 174.94 3d50 s PRO 168 N 0.78 3.08 0.45 4.11 0.04 -1.26 -3.17 135.00 139.02 3d50 s PRO 168 Ca 0.11 1.38 -0.23 0.00 0.04 0.00 0.00 61.00 62.30 3d50 s PRO 168 Cb -0.21 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 3d50 s PRO 168 CO -0.03 -1.03 0.84 -3.47 0.04 0.00 0.00 177.00 173.35 3d50 n ASP 169 N -2.06 0.43 -0.17 6.66 2.03 0.28 -4.63 116.55 119.09 3d50 n ASP 169 Ca 0.10 0.96 0.06 0.00 0.52 0.00 0.00 54.79 56.43 3d50 n ASP 169 Cb 0.52 -1.27 -0.03 0.00 -0.72 0.00 0.00 41.12 39.62 3d50 n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3d50 n GLU 170 N 0.15 2.40 -0.08 -0.67 1.02 -1.26 -4.37 120.64 117.83 3d50 n GLU 170 Ca 0.11 -0.42 -0.12 0.00 -0.02 0.00 0.00 57.16 56.71 3d50 n GLU 170 Cb 0.40 -1.11 -0.06 0.00 -0.02 0.00 0.00 31.44 30.65 3d50 n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d50 h ALA 171 N 1.95 0.11 0.00 0.62 0.00 -1.91 -3.42 119.26 116.61 3d50 h ALA 171 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3d50 h ALA 171 Cb 0.36 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3d50 h ALA 171 CO 0.00 0.58 -0.97 -0.91 0.00 0.00 0.00 179.25 177.95 3d50 h ASN 172 N -1.00 0.00 -3.77 0.00 2.35 -1.93 -3.41 115.58 107.81 3d50 h ASN 172 Ca -0.15 -0.01 -0.52 0.00 -0.55 0.00 0.00 56.30 55.07 3d50 h ASN 172 Cb 0.84 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.26 3d50 h ASN 172 CO -0.09 0.00 0.61 -0.94 -1.65 0.00 0.00 177.43 175.36 3d50 s SER 173 N -5.34 6.90 0.31 5.81 1.04 -1.26 -4.75 113.70 116.40 3d50 s SER 173 Ca -0.00 2.55 -0.27 0.00 0.48 0.00 0.00 55.95 58.70 3d50 s SER 173 Cb 0.10 -2.64 -0.09 0.00 0.10 0.00 0.00 66.02 63.48 3d50 s SER 173 CO 0.79 -0.45 0.99 -2.28 0.98 0.00 0.00 173.24 173.27 3d50 s HIS 174 N -0.91 3.66 0.34 5.02 2.46 -1.26 -4.27 115.29 120.33 3d50 s HIS 174 Ca 0.49 1.77 0.07 0.00 0.47 0.00 0.00 55.06 57.87 3d50 s HIS 174 Cb -0.38 -3.04 0.76 0.00 -0.13 0.00 0.00 32.58 29.79 3d50 s HIS 174 CO 0.48 -0.04 1.88 0.11 -2.47 0.00 0.00 174.74 174.70 3d50 h TRP 175 N 3.38 0.86 -0.85 3.88 5.08 -0.86 -0.40 115.95 127.04 3d50 h TRP 175 Ca -0.47 0.02 0.06 0.00 1.08 0.00 0.00 58.89 59.59 3d50 h TRP 175 Cb 1.20 -0.27 -0.06 0.00 -3.00 0.00 0.00 29.16 27.03 3d50 h TRP 175 CO 0.60 0.35 0.52 0.00 -1.28 0.00 0.00 178.44 178.63 3d50 h ARG 176 N 0.76 0.91 0.00 0.12 3.08 -1.92 -0.07 114.38 117.25 3d50 h ARG 176 Ca 0.43 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 60.23 3d50 h ARG 176 Cb 0.60 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3d50 h ARG 176 CO -0.19 0.60 -0.95 -0.91 -1.07 0.00 0.00 179.97 177.45 3d50 h ASN 177 N 0.94 0.00 -0.59 7.04 2.35 -1.51 -0.83 115.58 122.97 3d50 h ASN 177 Ca 0.37 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.13 3d50 h ASN 177 Cb 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3d50 h ASN 177 CO -0.18 0.95 0.39 0.58 -1.65 0.00 0.00 177.43 177.52 3d50 h VAL 178 N 0.00 1.15 -0.63 2.81 2.07 -0.87 -1.17 116.25 119.61 3d50 h VAL 178 Ca -0.01 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3d50 h VAL 178 Cb 1.69 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3d50 h VAL 178 CO 0.12 0.15 0.04 0.25 0.02 0.00 0.00 177.57 178.15 3d50 h LEU 179 N 0.80 1.06 0.06 2.57 5.85 -0.92 -1.98 115.31 122.74 3d50 h LEU 179 Ca 0.22 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3d50 h LEU 179 Cb -0.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 3d50 h LEU 179 CO -0.05 1.08 -0.15 0.25 -0.34 0.00 0.00 178.44 179.23 3d50 h LEU 180 N 1.00 -0.43 -0.69 2.25 5.85 -0.96 0.12 115.31 122.44 3d50 h LEU 180 Ca 0.18 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 3d50 h LEU 180 Cb 0.52 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3d50 h LEU 180 CO 0.02 -0.22 -0.16 0.06 -0.34 0.00 0.00 178.44 177.80 3d50 h GLN 181 N -0.29 0.85 -0.17 1.25 -0.00 -1.19 0.45 115.11 116.02 3d50 h GLN 181 Ca 0.03 -0.32 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 3d50 h GLN 181 Cb 0.32 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.74 3d50 h GLN 181 CO -0.11 0.95 0.11 1.25 -0.00 0.00 0.00 178.83 181.02 3d50 h LEU 182 N 0.75 0.19 -0.98 0.06 5.85 -1.14 -1.15 115.31 118.89 3d50 h LEU 182 Ca 0.11 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3d50 h LEU 182 Cb 0.68 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3d50 h LEU 182 CO 0.05 0.16 0.59 0.74 -0.34 0.00 0.00 178.44 179.64 3d50 h THR 183 N 0.21 1.26 -0.37 1.05 2.02 -0.58 -0.60 112.91 115.91 3d50 h THR 183 Ca 0.06 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 3d50 h THR 183 Cb -0.01 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 3d50 h THR 183 CO -0.01 0.27 0.05 -0.08 0.37 0.00 0.00 175.52 176.12 3d50 h GLU 184 N 1.31 0.61 -0.17 6.66 4.57 -0.47 0.62 114.58 127.71 3d50 h GLU 184 Ca 0.34 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.28 3d50 h GLU 184 Cb -0.08 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3d50 h GLU 184 CO -0.07 0.68 -0.20 0.78 -1.18 0.00 0.00 179.01 179.02 3d50 h GLY 185 N 0.45 0.47 1.91 1.92 0.00 -1.25 -2.62 103.07 103.95 3d50 h GLY 185 Ca 0.11 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 3d50 h GLY 185 CO 0.01 0.46 -0.51 1.46 0.00 0.00 0.00 176.54 177.96 3d50 h GLN 186 N 0.07 0.09 -0.36 4.80 4.20 -0.38 -1.01 115.11 122.52 3d50 h GLN 186 Ca 0.02 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 3d50 h GLN 186 Cb 0.76 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 3d50 h GLN 186 CO 0.05 0.58 -0.22 1.15 -0.67 0.00 0.00 178.83 179.72 3d50 h THR 187 N 0.07 1.29 -0.40 -0.54 2.02 -0.89 -0.20 112.91 114.27 3d50 h THR 187 Ca -0.00 -1.36 0.05 0.00 0.77 0.00 0.00 66.41 65.87 3d50 h THR 187 Cb 0.93 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.68 3d50 h THR 187 CO 0.07 0.45 0.11 -0.25 0.37 0.00 0.00 175.52 176.27 3d50 h TRP 188 N 0.56 0.20 -0.39 3.16 7.01 -1.17 -1.55 115.95 123.77 3d50 h TRP 188 Ca 0.07 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.99 3d50 h TRP 188 Cb 0.78 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.79 3d50 h TRP 188 CO 0.06 0.06 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.51 3d50 h LEU 189 N 0.26 0.76 -0.28 0.65 3.38 -0.94 -0.23 115.31 118.92 3d50 h LEU 189 Ca 0.19 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3d50 h LEU 189 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3d50 h LEU 189 CO -0.21 0.95 0.02 0.50 0.09 0.00 0.00 178.44 179.78 3d50 h LYS 190 N 0.67 0.48 -0.13 1.13 3.64 -0.80 0.16 116.57 121.71 3d50 h LYS 190 Ca 0.10 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3d50 h LYS 190 Cb 0.69 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3d50 h LYS 190 CO 0.05 0.62 0.01 0.37 -2.27 0.00 0.00 179.45 178.23 3d50 h GLN 191 N 0.28 0.22 0.00 1.90 4.15 -1.08 -2.75 115.11 117.84 3d50 h GLN 191 Ca 0.08 -0.07 -0.36 0.00 0.77 0.00 0.00 58.65 59.07 3d50 h GLN 191 Cb 0.39 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.99 3d50 h GLN 191 CO 0.01 0.44 -2.28 1.19 -1.93 0.00 0.00 178.83 176.26 3d50 n PHE 192 N -4.80 0.20 0.77 3.99 3.72 -0.11 -4.52 117.46 116.70 3d50 n PHE 192 Ca -0.06 0.07 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 3d50 n PHE 192 Cb 0.19 -1.03 -0.07 0.00 -0.94 0.00 0.00 39.48 37.63 3d50 n PHE 192 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3d50 n MET 193 N -2.89 1.62 -3.95 -1.08 2.81 0.43 -5.00 117.12 109.06 3d50 n MET 193 Ca -0.32 -0.24 -0.29 0.00 -1.81 0.00 0.00 57.70 55.04 3d50 n MET 193 Cb 1.12 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 32.35 3d50 n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3d50 n ASN 194 N -1.01 -2.78 -4.03 7.83 5.15 -0.52 -4.88 115.26 115.02 3d50 n ASN 194 Ca 0.04 -0.89 -0.09 0.00 -0.60 0.00 0.00 54.58 53.04 3d50 n ASN 194 Cb 0.28 -3.47 -0.11 0.00 -0.53 0.00 0.00 39.78 35.95 3d50 n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3d50 s VAL 195 N -3.52 0.22 -0.21 3.44 -7.23 -1.19 -4.98 120.40 106.93 3d50 s VAL 195 Ca 0.41 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.27 3d50 s VAL 195 Cb -0.21 -0.78 0.07 0.00 0.56 0.00 0.00 36.38 36.02 3d50 s VAL 195 CO 0.86 -0.67 0.07 -0.89 -0.31 0.00 0.00 175.10 174.16 3d50 s THR 196 N -2.36 0.32 0.41 5.32 2.01 -1.26 -3.49 115.64 116.58 3d50 s THR 196 Ca -0.06 -0.53 -0.26 0.00 0.31 0.00 0.00 61.69 61.14 3d50 s THR 196 Cb -0.03 -0.95 -0.10 0.00 0.01 0.00 0.00 72.50 71.43 3d50 s THR 196 CO -0.04 -0.32 1.23 -2.65 -0.69 0.00 0.00 174.62 172.15 3d50 n PRO 197 N 5.12 1.86 -0.00 4.92 -0.02 -1.26 -4.93 135.00 140.68 3d50 n PRO 197 Ca -0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3d50 n PRO 197 Cb 0.47 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3d50 n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3d50 n THR 198 N -0.17 0.16 -5.13 3.45 -2.24 -1.26 -4.78 114.28 104.31 3d50 n THR 198 Ca 0.07 -0.58 -0.32 0.00 -2.27 0.00 0.00 64.05 60.95 3d50 n THR 198 Cb 0.39 0.93 -0.16 0.00 -2.10 0.00 0.00 70.33 69.39 3d50 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d50 s ALA 199 N -0.21 2.29 0.05 6.98 0.00 -1.26 -0.74 121.76 128.87 3d50 s ALA 199 Ca 0.01 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3d50 s ALA 199 Cb 0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 3d50 s ALA 199 CO 0.01 0.35 0.08 0.45 0.00 0.00 0.00 175.76 176.65 3d50 s SER 200 N 0.07 5.57 -0.29 0.00 0.15 -0.30 -0.46 113.70 118.45 3d50 s SER 200 Ca -0.09 0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.60 3d50 s SER 200 Cb -0.15 -1.53 0.09 0.00 -1.71 0.00 0.00 66.02 62.71 3d50 s SER 200 CO 0.06 0.21 0.06 0.86 1.20 0.00 0.00 173.24 175.63 3d50 s TRP 201 N -1.31 1.97 -0.61 3.44 -0.11 -1.26 -0.54 118.94 120.52 3d50 s TRP 201 Ca 0.27 -1.77 0.04 0.00 1.22 0.00 0.00 56.10 55.87 3d50 s TRP 201 Cb -0.12 -1.74 0.16 0.00 -1.50 0.00 0.00 33.47 30.27 3d50 s TRP 201 CO 0.19 -0.83 0.43 0.00 -4.62 0.00 0.00 176.95 172.12 3d50 s ALA 202 N 1.53 3.14 -1.93 5.86 0.00 -0.47 -4.86 121.76 125.02 3d50 s ALA 202 Ca 0.06 -3.41 0.27 0.00 0.00 0.00 0.00 51.96 48.87 3d50 s ALA 202 Cb -0.18 -2.02 0.78 0.00 0.00 0.00 0.00 23.12 21.71 3d50 s ALA 202 CO -0.18 -2.06 1.58 0.44 0.00 0.00 0.00 175.76 175.54 3d50 n ILE 203 N 2.34 0.00 0.00 0.00 -5.35 -1.26 -3.23 119.36 111.86 3d50 n ILE 203 Ca 0.20 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 3d50 n ILE 203 Cb 0.38 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 3d50 n ILE 203 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3d50 n ASP 204 N -0.44 1.73 -4.62 7.28 2.03 -1.26 -4.46 116.55 116.81 3d50 n ASP 204 Ca 0.13 -0.02 -0.40 0.00 0.52 0.00 0.00 54.79 55.03 3d50 n ASP 204 Cb 0.36 0.39 0.03 0.00 -0.72 0.00 0.00 41.12 41.17 3d50 n ASP 204 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3d50 n PRO 205 N -0.56 1.20 -2.79 -0.67 -0.02 -1.26 -4.81 135.00 126.09 3d50 n PRO 205 Ca 0.00 0.44 -0.44 0.00 -2.02 0.00 0.00 63.50 61.49 3d50 n PRO 205 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3d50 n PRO 205 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3d50 n PHE 206 N -1.04 4.45 0.00 6.00 3.72 -1.26 -4.44 117.46 124.89 3d50 n PHE 206 Ca 0.11 -3.21 0.00 0.00 -0.05 0.00 0.00 57.45 54.29 3d50 n PHE 206 Cb 0.43 -2.12 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 3d50 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d50 n GLY 207 N 3.74 1.68 3.17 1.37 0.00 -1.08 -4.59 105.19 109.48 3d50 n GLY 207 Ca 0.38 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 3d50 n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d50 s HIS 208 N -2.92 1.35 -0.04 1.61 3.76 -1.09 -4.61 115.29 113.34 3d50 s HIS 208 Ca 0.00 -0.36 0.05 0.00 -0.15 0.00 0.00 55.06 54.60 3d50 s HIS 208 Cb 0.00 -0.80 -0.02 0.00 1.11 0.00 0.00 32.58 32.87 3d50 s HIS 208 CO 0.00 0.05 -0.19 0.45 -0.85 0.00 0.00 174.74 174.20 3d50 s SER 209 N -1.17 3.60 0.00 1.40 0.15 -1.26 -0.84 113.70 115.58 3d50 s SER 209 Ca 0.03 -0.32 0.10 0.00 0.70 0.00 0.00 55.95 56.46 3d50 s SER 209 Cb -0.08 -0.66 0.45 0.00 -1.71 0.00 0.00 66.02 64.02 3d50 s SER 209 CO 0.01 0.33 1.27 -0.81 1.20 0.00 0.00 173.24 175.24 3d50 n PRO 210 N 2.41 0.06 0.26 5.44 -0.04 -1.26 -1.90 135.00 139.95 3d50 n PRO 210 Ca -0.17 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 3d50 n PRO 210 Cb 0.52 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.13 3d50 n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3d50 h THR 211 N 0.00 0.94 0.43 0.52 2.02 -1.94 -2.55 112.91 112.33 3d50 h THR 211 Ca 0.00 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 3d50 h THR 211 Cb 0.14 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3d50 h THR 211 CO 0.00 0.06 -0.21 0.24 0.37 0.00 0.00 175.52 175.98 3d50 h MET 212 N 0.00 -0.56 0.00 6.66 2.86 -1.79 -1.90 114.93 120.19 3d50 h MET 212 Ca -0.00 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3d50 h MET 212 Cb 0.11 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 3d50 h MET 212 CO 0.01 -0.25 -0.00 -1.00 1.06 0.00 0.00 176.91 176.72 3d50 h PRO 213 N -0.90 0.00 0.04 -0.22 0.13 -1.74 0.92 132.00 130.23 3d50 h PRO 213 Ca -0.06 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 3d50 h PRO 213 Cb 0.57 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.67 3d50 h PRO 213 CO 0.10 0.00 -0.17 -0.92 -0.23 0.00 0.00 178.00 176.78 3d50 h TYR 214 N 0.00 -0.45 -0.08 1.56 3.20 -1.29 0.22 116.97 120.14 3d50 h TYR 214 Ca -0.00 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 3d50 h TYR 214 Cb 0.01 0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.48 3d50 h TYR 214 CO 0.00 -0.25 -0.49 0.82 -1.64 0.00 0.00 178.16 176.60 3d50 h ILE 215 N -0.30 1.39 -0.31 1.81 2.04 -0.85 -3.15 117.51 118.14 3d50 h ILE 215 Ca 0.04 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.03 3d50 h ILE 215 Cb 0.35 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 3d50 h ILE 215 CO -0.14 0.55 0.14 -0.07 0.00 0.00 0.00 178.15 178.63 3d50 h LEU 216 N 0.03 0.41 -1.91 1.44 3.38 -0.72 -2.33 115.31 115.61 3d50 h LEU 216 Ca -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3d50 h LEU 216 Cb 1.15 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3d50 h LEU 216 CO 0.10 0.44 -0.11 -0.61 0.09 0.00 0.00 178.44 178.35 3d50 h GLN 217 N 0.36 0.00 -0.19 1.13 -0.00 -0.66 0.15 115.11 115.90 3d50 h GLN 217 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 3d50 h GLN 217 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.63 3d50 h GLN 217 CO -0.01 0.11 0.00 1.63 0.00 0.00 0.00 178.83 180.56 3d50 n LYS 218 N -4.06 1.72 -0.49 1.69 5.02 -0.92 -3.62 118.16 117.50 3d50 n LYS 218 Ca -0.02 -1.10 0.07 0.00 -2.02 0.00 0.00 58.31 55.23 3d50 n LYS 218 Cb 0.20 -1.37 0.13 0.00 -0.02 0.00 0.00 35.03 33.97 3d50 n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3d50 n SER 219 N 0.33 1.65 0.00 4.39 7.64 0.45 -2.10 113.62 125.98 3d50 n SER 219 Ca 0.15 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.92 3d50 n SER 219 Cb 0.32 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 3d50 n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d50 n GLY 220 N -0.90 0.76 3.81 0.23 0.00 -1.12 -4.91 105.19 103.05 3d50 n GLY 220 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3d50 n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d50 s PHE 221 N -2.78 3.08 -0.00 1.61 0.40 -0.72 -4.80 117.98 114.77 3d50 s PHE 221 Ca 0.00 1.56 0.01 0.00 -0.60 0.00 0.00 56.93 57.90 3d50 s PHE 221 Cb 0.00 -3.00 -0.02 0.00 0.51 0.00 0.00 43.02 40.51 3d50 s PHE 221 CO 0.00 -0.73 0.03 1.63 0.70 0.00 0.00 175.22 176.85 3d50 n LYS 222 N -1.15 0.39 -3.76 0.44 4.76 0.08 -4.55 118.16 114.38 3d50 n LYS 222 Ca 0.09 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 3d50 n LYS 222 Cb 0.53 -1.00 -0.09 0.00 -1.84 0.00 0.00 35.03 32.63 3d50 n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3d50 s ASN 223 N -2.08 -0.19 0.07 4.39 0.01 -1.04 -3.88 114.94 112.22 3d50 s ASN 223 Ca -0.00 0.09 -0.06 0.00 -0.71 0.00 0.00 52.86 52.17 3d50 s ASN 223 Cb 0.01 0.31 -0.01 0.00 0.41 0.00 0.00 41.25 41.97 3d50 s ASN 223 CO 0.05 -0.45 0.11 0.00 -1.51 0.00 0.00 177.10 175.30 3d50 s MET 224 N -1.35 0.75 0.01 -0.60 0.23 -0.22 -1.15 119.30 116.97 3d50 s MET 224 Ca -0.13 -1.03 0.03 0.00 -1.03 0.00 0.00 55.69 53.53 3d50 s MET 224 Cb -0.05 0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 33.53 3d50 s MET 224 CO 0.04 -0.21 -0.10 -1.17 -2.03 0.00 0.00 175.02 171.55 3d50 s LEU 225 N -2.83 2.07 0.19 0.18 0.20 0.30 -0.94 118.68 117.86 3d50 s LEU 225 Ca 0.05 -0.26 0.02 0.00 0.69 0.00 0.00 54.13 54.62 3d50 s LEU 225 Cb 0.05 -0.49 -0.05 0.00 -0.43 0.00 0.00 46.19 45.28 3d50 s LEU 225 CO -0.10 0.07 0.03 0.27 -0.29 0.00 0.00 176.35 176.33 3d50 s ILE 226 N -0.45 0.64 0.00 6.68 -4.36 -0.43 -1.37 121.20 121.91 3d50 s ILE 226 Ca 0.02 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 3d50 s ILE 226 Cb -0.05 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.41 3d50 s ILE 226 CO 0.00 -0.35 0.00 1.67 0.24 0.00 0.00 174.94 176.50 3d50 n GLN 227 N -0.30 0.00 -2.75 0.37 -0.06 -1.20 -1.36 117.38 112.08 3d50 n GLN 227 Ca -0.05 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.52 3d50 n GLN 227 Cb 0.64 -0.11 -0.02 0.00 -4.06 0.00 0.00 30.24 26.70 3d50 n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3d50 s ARG 228 N -1.91 3.75 0.19 3.69 0.52 -1.26 -4.78 118.95 119.15 3d50 s ARG 228 Ca 0.00 -1.73 0.10 0.00 -0.52 0.00 0.00 55.73 53.58 3d50 s ARG 228 Cb 0.00 -5.20 -0.04 0.00 0.52 0.00 0.00 34.95 30.23 3d50 s ARG 228 CO 0.00 -2.00 -0.20 0.95 0.02 0.00 0.00 175.30 174.07 3d50 s THR 229 N 3.53 2.06 0.21 0.02 -4.23 -1.26 -2.62 115.64 113.34 3d50 s THR 229 Ca 0.43 -2.05 -0.32 0.00 -1.18 0.00 0.00 61.69 58.57 3d50 s THR 229 Cb -0.01 -2.01 -0.14 0.00 1.34 0.00 0.00 72.50 71.68 3d50 s THR 229 CO -0.05 -0.29 1.32 1.57 -0.54 0.00 0.00 174.62 176.63 3d50 n HIS 230 N 0.09 1.83 -0.23 3.99 -0.00 -1.26 -4.74 115.22 114.90 3d50 n HIS 230 Ca -0.11 0.52 0.22 0.00 0.46 0.00 0.00 57.72 58.80 3d50 n HIS 230 Cb 0.57 -2.39 0.56 0.00 -0.12 0.00 0.00 29.99 28.61 3d50 n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 3d50 h TYR 231 N 4.01 0.42 -0.24 1.57 -0.00 -1.83 -0.50 116.97 120.39 3d50 h TYR 231 Ca -0.44 0.01 -0.13 0.00 -0.00 0.00 0.00 58.73 58.17 3d50 h TYR 231 Cb 1.30 -0.13 -0.01 0.00 -0.00 0.00 0.00 36.73 37.89 3d50 h TYR 231 CO 0.56 0.10 -0.38 0.77 -0.00 0.00 0.00 178.16 179.21 3d50 h SER 232 N 0.30 0.58 -0.17 0.10 0.02 -1.89 -2.00 113.55 110.49 3d50 h SER 232 Ca 0.47 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 3d50 h SER 232 Cb 1.32 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 3d50 h SER 232 CO -0.15 0.91 -0.15 0.58 -1.14 0.00 0.00 176.83 176.88 3d50 h VAL 233 N 0.46 1.33 -0.57 2.27 2.07 -1.47 -1.60 116.25 118.74 3d50 h VAL 233 Ca 0.04 -1.29 0.11 0.00 0.82 0.00 0.00 66.70 66.39 3d50 h VAL 233 Cb 0.87 1.80 -0.09 0.00 -1.52 0.00 0.00 31.29 32.35 3d50 h VAL 233 CO 0.07 0.39 0.03 0.11 0.02 0.00 0.00 177.57 178.19 3d50 h LYS 234 N 0.06 0.14 -0.13 1.57 1.57 -1.26 0.68 116.57 119.19 3d50 h LYS 234 Ca 0.03 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3d50 h LYS 234 Cb 0.68 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3d50 h LYS 234 CO 0.04 0.10 0.04 -0.22 -0.57 0.00 0.00 179.45 178.84 3d50 h LYS 235 N 0.15 0.11 0.27 3.15 3.64 -1.19 -0.26 116.57 122.43 3d50 h LYS 235 Ca 0.30 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3d50 h LYS 235 Cb 0.47 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3d50 h LYS 235 CO -0.46 0.07 -0.13 1.49 -2.27 0.00 0.00 179.45 178.15 3d50 h GLU 236 N 0.11 -0.35 -0.63 1.90 4.57 -0.98 -1.89 114.58 117.32 3d50 h GLU 236 Ca 0.06 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3d50 h GLU 236 Cb 0.03 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3d50 h GLU 236 CO -0.06 -0.14 0.23 -0.07 -1.18 0.00 0.00 179.01 177.79 3d50 h LEU 237 N -0.49 0.89 -1.14 1.64 3.38 -0.88 -2.99 115.31 115.71 3d50 h LEU 237 Ca -0.04 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.78 3d50 h LEU 237 Cb 0.37 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3d50 h LEU 237 CO 0.06 0.83 0.58 0.00 0.09 0.00 0.00 178.44 180.00 3d50 h ALA 238 N 1.09 1.44 -0.26 1.53 0.00 -0.94 0.71 119.26 122.83 3d50 h ALA 238 Ca 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3d50 h ALA 238 Cb 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3d50 h ALA 238 CO -0.01 0.47 0.15 1.96 0.00 0.00 0.00 179.25 181.82 3d50 h GLN 239 N 1.11 0.35 -0.38 0.00 4.20 -1.19 -1.74 115.11 117.46 3d50 h GLN 239 Ca 0.35 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.04 3d50 h GLN 239 Cb 0.02 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3d50 h GLN 239 CO -0.11 0.25 0.00 1.04 -0.67 0.00 0.00 178.83 179.35 3d50 n GLN 240 N -4.48 2.44 -3.89 1.46 1.13 -0.79 -4.96 117.38 108.30 3d50 n GLN 240 Ca 0.01 -2.24 -0.25 0.00 -1.94 0.00 0.00 57.00 52.57 3d50 n GLN 240 Cb 0.09 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.95 3d50 n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3d50 n ARG 241 N 1.41 -4.04 -1.17 -1.09 1.74 -0.56 -4.91 116.66 108.04 3d50 n ARG 241 Ca 0.18 0.49 -0.12 0.00 -0.77 0.00 0.00 57.85 57.63 3d50 n ARG 241 Cb 0.58 -4.89 0.14 0.00 -1.02 0.00 0.00 32.46 27.28 3d50 n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3d50 n GLN 242 N -4.39 2.36 0.14 5.56 6.02 0.14 -4.63 117.38 122.58 3d50 n GLN 242 Ca -0.24 -3.46 0.12 0.00 -0.01 0.00 0.00 57.00 53.41 3d50 n GLN 242 Cb 0.65 -1.98 0.16 0.00 1.02 0.00 0.00 30.24 30.10 3d50 n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3d50 h LEU 243 N 1.41 0.00 -8.62 1.08 3.38 -1.83 -3.42 115.31 107.32 3d50 h LEU 243 Ca 0.29 -0.04 -0.65 0.00 0.09 0.00 0.00 57.88 57.57 3d50 h LEU 243 Cb 1.49 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.98 3d50 h LEU 243 CO 0.60 0.02 -0.74 -1.61 0.09 0.00 0.00 178.44 176.80 3d50 s GLU 244 N -3.23 3.44 0.11 1.13 2.02 -1.26 -0.35 118.70 120.57 3d50 s GLU 244 Ca 0.05 -0.64 -0.15 0.00 0.02 0.00 0.00 54.97 54.25 3d50 s GLU 244 Cb 0.09 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.60 3d50 s GLU 244 CO 0.70 0.15 0.37 -0.59 0.02 0.00 0.00 175.26 175.90 3d50 s PHE 245 N 0.55 -0.15 -0.49 1.61 -0.12 -0.31 -4.23 117.98 114.83 3d50 s PHE 245 Ca -0.07 -0.15 -0.20 0.00 -0.05 0.00 0.00 56.93 56.46 3d50 s PHE 245 Cb -0.15 0.20 0.05 0.00 -0.63 0.00 0.00 43.02 42.48 3d50 s PHE 245 CO 0.03 -0.66 0.66 -0.51 -0.05 0.00 0.00 175.22 174.69 3d50 s LEU 246 N -2.72 4.74 -0.38 -1.99 1.43 0.24 -0.42 118.68 119.58 3d50 s LEU 246 Ca 0.02 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.21 3d50 s LEU 246 Cb 0.02 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.69 3d50 s LEU 246 CO -0.11 -0.89 0.70 0.86 0.23 0.00 0.00 176.35 177.14 3d50 s TRP 247 N 2.82 3.10 0.26 0.29 -0.11 -0.31 -1.70 118.94 123.29 3d50 s TRP 247 Ca 0.19 0.32 0.09 0.00 1.22 0.00 0.00 56.10 57.91 3d50 s TRP 247 Cb -0.17 -3.31 -0.04 0.00 -1.50 0.00 0.00 33.47 28.44 3d50 s TRP 247 CO 0.15 -0.74 0.04 -0.98 -4.62 0.00 0.00 176.95 170.79 3d50 s ARG 248 N 2.91 2.45 0.62 5.86 1.70 -0.25 -0.80 118.95 131.45 3d50 s ARG 248 Ca 0.27 -1.31 -0.17 0.00 -0.47 0.00 0.00 55.73 54.05 3d50 s ARG 248 Cb -0.14 -2.27 -0.02 0.00 -0.57 0.00 0.00 34.95 31.96 3d50 s ARG 248 CO 0.17 0.38 1.15 -0.65 -1.08 0.00 0.00 175.30 175.27 3d50 s GLN 249 N -3.66 2.89 0.55 3.89 -1.52 -1.26 -4.32 119.66 116.23 3d50 s GLN 249 Ca 0.31 1.58 0.27 0.00 -1.95 0.00 0.00 55.36 55.58 3d50 s GLN 249 Cb -0.07 -1.95 1.60 0.00 -0.22 0.00 0.00 33.01 32.37 3d50 s GLN 249 CO 0.21 -1.21 2.16 -0.84 -0.25 0.00 0.00 175.29 175.35 3d50 h ILE 250 N 0.46 0.59 -0.27 1.08 3.07 -1.94 -1.71 117.51 118.79 3d50 h ILE 250 Ca -0.48 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 65.65 3d50 h ILE 250 Cb 1.27 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 3d50 h ILE 250 CO 0.54 0.06 0.00 -2.67 -1.05 0.00 0.00 178.15 175.04 3d50 n TRP 251 N -3.79 0.34 -2.88 0.16 2.14 -1.26 -4.59 117.44 107.55 3d50 n TRP 251 Ca -0.02 -0.17 -0.43 0.00 2.07 0.00 0.00 57.50 58.95 3d50 n TRP 251 Cb 0.16 -0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.62 3d50 n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3d50 s ASP 252 N -1.66 6.19 0.19 -0.67 2.15 -0.64 -4.71 116.67 117.52 3d50 s ASP 252 Ca 0.35 -1.07 -0.02 0.00 0.43 0.00 0.00 52.55 52.24 3d50 s ASP 252 Cb 0.22 -2.41 0.11 0.00 -0.30 0.00 0.00 42.92 40.54 3d50 s ASP 252 CO 0.31 -1.40 1.49 -1.13 -0.17 0.00 0.00 175.17 174.27 3d50 h ASN 253 N 9.51 0.57 0.46 -0.34 -1.24 -1.88 -3.31 115.58 119.35 3d50 h ASN 253 Ca -0.27 -0.32 -0.30 0.00 0.71 0.00 0.00 56.30 56.12 3d50 h ASN 253 Cb 1.07 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.95 3d50 h ASN 253 CO 1.17 1.03 -1.49 0.50 -1.29 0.00 0.00 177.43 177.36 3d50 h LYS 254 N 0.38 0.27 0.00 6.67 3.64 -1.99 -3.44 116.57 122.11 3d50 h LYS 254 Ca -0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3d50 h LYS 254 Cb 1.14 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3d50 h LYS 254 CO 0.11 1.16 0.00 0.41 -2.27 0.00 0.00 179.45 178.85 3d50 n GLY 255 N 1.65 1.02 0.12 5.01 0.00 -1.25 -5.00 105.19 106.74 3d50 n GLY 255 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3d50 n GLY 255 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d50 n ASP 256 N 0.00 0.73 -0.03 1.61 8.00 -1.26 -2.08 116.55 123.52 3d50 n ASP 256 Ca 0.00 0.63 0.14 0.00 0.71 0.00 0.00 54.79 56.27 3d50 n ASP 256 Cb 0.00 -0.81 0.62 0.00 -0.02 0.00 0.00 41.12 40.91 3d50 n ASP 256 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3d50 n THR 257 N -2.26 0.00 -1.83 -3.53 -2.24 -1.26 -4.99 114.28 98.18 3d50 n THR 257 Ca 0.03 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 3d50 n THR 257 Cb 0.31 -0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 3d50 n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d50 s ALA 258 N -2.74 3.59 -0.06 6.98 0.00 -0.88 -4.72 121.76 123.93 3d50 s ALA 258 Ca 0.22 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.72 3d50 s ALA 258 Cb 0.19 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3d50 s ALA 258 CO 0.52 -1.00 -0.04 -1.17 0.00 0.00 0.00 175.76 174.06 3d50 s LEU 259 N -1.79 1.20 0.17 0.00 2.96 0.02 -4.87 118.68 116.38 3d50 s LEU 259 Ca 0.54 -0.15 -0.32 0.00 -0.22 0.00 0.00 54.13 53.99 3d50 s LEU 259 Cb -0.46 -0.51 -0.11 0.00 0.50 0.00 0.00 46.19 45.61 3d50 s LEU 259 CO 0.60 -0.08 1.78 0.12 -1.32 0.00 0.00 176.35 177.45 3d50 s PHE 260 N 1.16 2.53 -0.04 5.38 5.36 -1.25 -1.16 117.98 129.96 3d50 s PHE 260 Ca -0.07 0.16 0.04 0.00 -0.96 0.00 0.00 56.93 56.09 3d50 s PHE 260 Cb -0.14 -4.16 -0.00 0.00 -0.34 0.00 0.00 43.02 38.38 3d50 s PHE 260 CO -0.01 -4.61 -0.14 0.99 -1.46 0.00 0.00 175.22 169.99 3d50 s THR 261 N 1.94 1.20 -0.27 0.12 2.01 0.44 -1.06 115.64 120.02 3d50 s THR 261 Ca 0.78 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 62.12 3d50 s THR 261 Cb -0.48 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 3d50 s THR 261 CO 0.34 0.35 0.07 -2.28 -0.69 0.00 0.00 174.62 172.41 3d50 s HIS 262 N 0.11 3.10 -0.21 4.92 2.46 -0.11 -1.16 115.29 124.39 3d50 s HIS 262 Ca -0.04 -0.64 -0.16 0.00 0.47 0.00 0.00 55.06 54.69 3d50 s HIS 262 Cb -0.11 -2.24 -0.04 0.00 -0.13 0.00 0.00 32.58 30.06 3d50 s HIS 262 CO 0.02 -0.45 0.42 1.41 -2.47 0.00 0.00 174.74 173.66 3d50 s MET 263 N 1.57 4.15 0.49 2.88 1.75 0.53 -1.31 119.30 129.36 3d50 s MET 263 Ca 0.05 0.21 -0.23 0.00 -1.25 0.00 0.00 55.69 54.48 3d50 s MET 263 Cb -0.16 -3.56 -0.06 0.00 2.84 0.00 0.00 34.83 33.89 3d50 s MET 263 CO 0.03 -0.10 1.23 -1.64 -0.65 0.00 0.00 175.02 173.90 3d50 s MET 264 N 1.49 3.55 0.08 4.11 -1.94 -0.47 -4.79 119.30 121.33 3d50 s MET 264 Ca 0.19 1.94 0.24 0.00 -1.71 0.00 0.00 55.69 56.35 3d50 s MET 264 Cb -0.15 -2.36 0.36 0.00 2.01 0.00 0.00 34.83 34.70 3d50 s MET 264 CO 0.08 -0.77 1.32 -0.35 -0.01 0.00 0.00 175.02 175.29 3d50 n PRO 265 N -0.67 0.22 -3.30 2.03 -0.04 -1.26 -4.85 135.00 127.13 3d50 n PRO 265 Ca 0.08 0.05 -0.16 0.00 -0.04 0.00 0.00 63.50 63.44 3d50 n PRO 265 Cb 0.47 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 3d50 n PRO 265 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3d50 n PHE 266 N -1.94 0.54 0.15 0.54 3.72 -1.26 -4.81 117.46 114.39 3d50 n PHE 266 Ca 0.04 -1.23 0.00 0.00 -0.05 0.00 0.00 57.45 56.21 3d50 n PHE 266 Cb 0.41 -0.17 0.20 0.00 -0.94 0.00 0.00 39.48 38.98 3d50 n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3d50 h TYR 267 N 1.11 0.00 -4.17 1.38 3.20 -1.95 -3.46 116.97 113.08 3d50 h TYR 267 Ca -0.21 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.52 3d50 h TYR 267 Cb 0.63 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.76 3d50 h TYR 267 CO 0.00 0.57 -0.50 0.45 -1.64 0.00 0.00 178.16 177.04 3d50 s SER 268 N -6.74 0.20 0.00 -2.11 0.15 -1.26 -5.03 113.70 98.91 3d50 s SER 268 Ca -0.01 -1.04 0.22 0.00 0.70 0.00 0.00 55.95 55.82 3d50 s SER 268 Cb 0.12 0.35 0.63 0.00 -1.71 0.00 0.00 66.02 65.41 3d50 s SER 268 CO 0.75 -0.79 1.49 0.00 1.20 0.00 0.00 173.24 175.89 3d50 n TYR 269 N -0.14 0.28 -1.39 3.44 0.18 -1.26 -4.59 117.16 113.68 3d50 n TYR 269 Ca -0.07 -0.14 -0.29 0.00 1.88 0.00 0.00 57.90 59.28 3d50 n TYR 269 Cb 0.63 0.00 0.19 0.00 -0.38 0.00 0.00 39.34 39.78 3d50 n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3d50 s ASP 270 N -1.59 2.40 0.09 9.48 1.47 -1.26 -4.64 116.67 122.63 3d50 s ASP 270 Ca 0.34 0.76 -0.16 0.00 1.18 0.00 0.00 52.55 54.67 3d50 s ASP 270 Cb 0.19 -1.14 -0.08 0.00 -0.34 0.00 0.00 42.92 41.55 3d50 s ASP 270 CO 0.28 -3.22 1.45 0.40 0.68 0.00 0.00 175.17 174.76 3d50 h ILE 271 N -1.96 1.30 -0.76 2.11 2.04 -1.90 -2.26 117.51 116.07 3d50 h ILE 271 Ca -0.48 -1.30 0.22 0.00 1.00 0.00 0.00 64.86 64.30 3d50 h ILE 271 Cb 1.30 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 3d50 h ILE 271 CO 0.48 0.41 0.61 -0.65 0.00 0.00 0.00 178.15 179.00 3d50 h PRO 272 N 0.37 0.00 -0.37 2.37 0.11 -1.87 -2.03 132.00 130.58 3d50 h PRO 272 Ca 0.06 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 3d50 h PRO 272 Cb 0.71 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 3d50 h PRO 272 CO 0.05 0.00 0.03 0.72 -0.21 0.00 0.00 178.00 178.59 3d50 n HIS 273 N -4.07 1.30 0.00 0.65 8.25 -0.88 -3.93 115.22 116.55 3d50 n HIS 273 Ca 0.15 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 3d50 n HIS 273 Cb 0.89 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3d50 n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3d50 n THR 274 N -0.41 0.00 0.16 1.59 -2.24 -0.77 -4.62 114.28 107.99 3d50 n THR 274 Ca 0.26 -0.21 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 3d50 n THR 274 Cb 1.02 0.78 0.08 0.00 -2.10 0.00 0.00 70.33 70.11 3d50 n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d50 n GLY 276 N 1.14 -1.95 0.24 0.00 0.00 -1.26 -3.48 105.19 99.88 3d50 n GLY 276 Ca 0.02 -1.16 0.16 0.00 0.00 0.00 0.00 46.02 45.03 3d50 n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d50 h PRO 277 N 0.00 0.00 -4.41 1.61 0.13 -1.93 -3.43 132.00 123.98 3d50 h PRO 277 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 3d50 h PRO 277 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 3d50 h PRO 277 CO 0.00 0.00 -0.47 0.34 -0.23 0.00 0.00 178.00 177.64 3d50 s ASP 278 N -5.35 5.51 0.53 1.44 -1.08 -1.26 -3.49 116.67 112.97 3d50 s ASP 278 Ca 0.02 -1.83 0.32 0.00 -0.52 0.00 0.00 52.55 50.54 3d50 s ASP 278 Cb 0.09 -1.93 1.37 0.00 -1.46 0.00 0.00 42.92 40.99 3d50 s ASP 278 CO 0.52 -0.59 1.99 1.55 0.52 0.00 0.00 175.17 179.16 3d50 h PRO 279 N 8.29 0.00 -0.18 4.34 0.13 -1.79 -0.62 132.00 142.17 3d50 h PRO 279 Ca -0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.89 3d50 h PRO 279 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3d50 h PRO 279 CO 0.77 0.07 -0.13 -0.22 -0.23 0.00 0.00 178.00 178.26 3d50 h LYS 280 N 0.00 0.29 0.00 0.86 3.64 -1.92 -0.55 116.57 118.89 3d50 h LYS 280 Ca -0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 3d50 h LYS 280 Cb 0.50 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3d50 h LYS 280 CO 0.01 0.43 -0.10 0.28 -2.27 0.00 0.00 179.45 177.80 3d50 h VAL 281 N 0.27 1.72 -0.88 2.00 2.07 -1.66 -3.36 116.25 116.41 3d50 h VAL 281 Ca 0.05 -2.33 0.06 0.00 0.82 0.00 0.00 66.70 65.31 3d50 h VAL 281 Cb 0.40 3.28 -0.06 0.00 -1.52 0.00 0.00 31.29 33.40 3d50 h VAL 281 CO 0.02 0.58 0.57 0.00 0.02 0.00 0.00 177.57 178.77 3d50 n GLN 284 N -4.31 0.31 -0.08 0.00 6.02 -0.35 -2.27 117.38 116.68 3d50 n GLN 284 Ca 0.04 0.10 0.04 0.00 -0.01 0.00 0.00 57.00 57.17 3d50 n GLN 284 Cb 0.39 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.23 3d50 n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3d50 n PHE 285 N -1.20 0.16 -3.17 1.08 3.01 0.53 -4.16 117.46 113.72 3d50 n PHE 285 Ca 0.09 -0.63 -0.45 0.00 1.01 0.00 0.00 57.45 57.47 3d50 n PHE 285 Cb 0.10 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.45 3d50 n PHE 285 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3d50 s ASP 286 N -1.44 6.42 0.00 4.37 -1.08 -0.96 -4.95 116.67 119.03 3d50 s ASP 286 Ca 0.14 -1.95 0.25 0.00 -0.52 0.00 0.00 52.55 50.48 3d50 s ASP 286 Cb 0.11 -2.28 1.34 0.00 -1.46 0.00 0.00 42.92 40.63 3d50 s ASP 286 CO 0.04 -0.92 1.85 0.49 0.52 0.00 0.00 175.17 177.16 3d50 n PHE 287 N 5.55 0.00 1.75 -5.34 3.72 -1.26 -1.39 117.46 120.48 3d50 n PHE 287 Ca 0.02 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.58 3d50 n PHE 287 Cb 0.44 -0.19 0.85 0.00 -0.94 0.00 0.00 39.48 39.64 3d50 n PHE 287 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3d50 n LYS 288 N -1.19 0.80 -1.19 -1.08 4.81 -1.26 -4.24 118.16 114.81 3d50 n LYS 288 Ca 0.14 -0.05 -0.21 0.00 -0.87 0.00 0.00 58.31 57.32 3d50 n LYS 288 Cb 0.16 -1.50 0.16 0.00 0.02 0.00 0.00 35.03 33.87 3d50 n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3d50 n ARG 289 N -1.06 2.28 0.01 1.64 1.74 -0.48 -4.50 116.66 116.29 3d50 n ARG 289 Ca 0.20 -3.15 0.11 0.00 -0.77 0.00 0.00 57.85 54.24 3d50 n ARG 289 Cb 0.17 -2.12 0.09 0.00 -1.02 0.00 0.00 32.46 29.59 3d50 n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3d50 n MET 290 N -1.09 0.06 0.00 5.56 2.81 -1.26 -4.39 117.12 118.82 3d50 n MET 290 Ca 0.54 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 3d50 n MET 290 Cb 1.32 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 32.31 3d50 n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d50 n GLY 291 N 1.47 4.13 0.28 3.03 0.00 -1.24 -4.98 105.19 107.88 3d50 n GLY 291 Ca 0.04 -0.74 0.19 0.00 0.00 0.00 0.00 46.02 45.51 3d50 n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d50 h SER 292 N 0.76 0.00 -0.44 1.61 4.64 -1.91 -1.57 113.55 116.64 3d50 h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d50 h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3d50 h SER 292 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3d50 n PHE 293 N -2.82 0.58 -2.35 4.77 3.72 -1.26 -4.96 117.46 115.13 3d50 n PHE 293 Ca -0.02 -0.29 -0.19 0.00 -0.05 0.00 0.00 57.45 56.90 3d50 n PHE 293 Cb 0.06 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.59 3d50 n PHE 293 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d50 n GLY 294 N 1.48 -0.40 3.29 1.37 0.00 -0.59 -5.00 105.19 105.34 3d50 n GLY 294 Ca 0.20 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 3d50 n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d50 s LEU 295 N -5.35 2.28 0.32 0.99 1.43 -1.26 -5.07 118.68 112.01 3d50 s LEU 295 Ca 0.00 -0.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.47 3d50 s LEU 295 Cb -0.00 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 3d50 s LEU 295 CO 0.00 0.09 0.31 -0.94 0.23 0.00 0.00 176.35 176.04 3d50 s SER 296 N -1.80 1.29 -0.32 2.29 1.04 -1.26 -3.71 113.70 111.22 3d50 s SER 296 Ca 0.07 -1.64 -0.14 0.00 0.48 0.00 0.00 55.95 54.73 3d50 s SER 296 Cb -0.10 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 3d50 s SER 296 CO 0.04 -1.09 0.29 0.00 0.98 0.00 0.00 173.24 173.46 3d50 n PRO 298 N 5.22 0.05 -0.04 0.00 -0.04 -1.26 -1.26 135.00 137.67 3d50 n PRO 298 Ca -0.11 0.25 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 3d50 n PRO 298 Cb 0.50 -1.60 0.39 0.00 -0.04 0.00 0.00 33.50 32.76 3d50 n PRO 298 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3d50 n TRP 299 N -1.70 0.11 -1.01 0.54 8.01 -1.26 -4.94 117.44 117.19 3d50 n TRP 299 Ca 0.04 -0.05 -0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3d50 n TRP 299 Cb 0.22 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.51 3d50 n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3d50 n LYS 300 N -0.27 -0.76 -4.04 -0.99 5.02 -0.39 -5.00 118.16 111.73 3d50 n LYS 300 Ca 0.13 0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 56.30 3d50 n LYS 300 Cb 0.17 -3.81 -0.15 0.00 -0.02 0.00 0.00 35.03 31.22 3d50 n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d50 s VAL 301 N -1.64 2.49 0.67 -0.18 1.01 -1.26 -5.07 120.40 116.41 3d50 s VAL 301 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.93 3d50 s VAL 301 Cb 0.00 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.24 3d50 s VAL 301 CO 0.00 0.38 1.01 -2.16 0.00 0.00 0.00 175.10 174.33 3d50 s PRO 302 N 1.31 2.73 0.66 2.72 0.04 -1.26 -4.48 135.00 136.72 3d50 s PRO 302 Ca 0.02 0.14 -0.15 0.00 0.04 0.00 0.00 61.00 61.05 3d50 s PRO 302 Cb -0.15 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3d50 s PRO 302 CO -0.08 -0.97 1.13 -2.14 0.04 0.00 0.00 177.00 174.98 3d50 s PRO 303 N -5.21 2.73 -0.03 0.56 0.02 -1.26 -4.77 135.00 127.04 3d50 s PRO 303 Ca 0.57 1.47 0.05 0.00 0.02 0.00 0.00 61.00 63.11 3d50 s PRO 303 Cb -0.11 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 3d50 s PRO 303 CO 0.48 -1.32 -0.18 1.03 -0.33 0.00 0.00 177.00 176.68 3d50 s ARG 304 N -3.99 1.69 0.26 5.54 0.52 -1.26 -4.84 118.95 116.87 3d50 s ARG 304 Ca 0.69 -0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 54.97 3d50 s ARG 304 Cb -0.22 -1.52 -0.14 0.00 0.52 0.00 0.00 34.95 33.59 3d50 s ARG 304 CO 0.41 0.30 1.22 2.41 0.02 0.00 0.00 175.30 179.66 3d50 n THR 305 N 2.96 1.43 -2.75 0.02 -1.04 -1.26 -4.90 114.28 108.73 3d50 n THR 305 Ca -0.17 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.05 61.07 3d50 n THR 305 Cb 0.53 -1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 67.79 3d50 n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3d50 s ILE 306 N -0.56 4.88 0.35 12.58 -1.09 -1.26 -4.97 121.20 131.13 3d50 s ILE 306 Ca 0.64 1.98 0.03 0.00 -2.23 0.00 0.00 60.65 61.08 3d50 s ILE 306 Cb -0.69 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 35.86 3d50 s ILE 306 CO 0.55 0.16 0.10 -0.94 -1.23 0.00 0.00 174.94 173.58 3d50 s SER 307 N 0.99 2.31 0.50 3.58 1.04 -1.26 -5.00 113.70 115.87 3d50 s SER 307 Ca 0.50 -1.52 0.21 0.00 0.48 0.00 0.00 55.95 55.61 3d50 s SER 307 Cb -0.20 0.25 1.28 0.00 0.10 0.00 0.00 66.02 67.45 3d50 s SER 307 CO 0.26 -0.79 2.01 0.44 0.98 0.00 0.00 173.24 176.14 3d50 h ASP 308 N 2.02 0.10 1.96 7.02 3.32 -2.00 -1.45 116.42 127.39 3d50 h ASP 308 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3d50 h ASP 308 Cb 1.26 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3d50 h ASP 308 CO 0.61 0.06 0.00 1.56 -1.72 0.00 0.00 179.24 179.75 3d50 h GLN 309 N 0.11 0.00 0.00 3.56 7.50 -1.99 -3.35 115.11 120.93 3d50 h GLN 309 Ca 0.23 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.38 3d50 h GLN 309 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.29 3d50 h GLN 309 CO -0.02 0.00 0.00 0.27 -1.50 0.00 0.00 178.83 177.58 3d50 n ASN 310 N -3.05 0.40 -0.28 1.46 0.23 -0.96 -4.78 115.26 108.28 3d50 n ASN 310 Ca 0.04 -0.70 -0.06 0.00 -0.53 0.00 0.00 54.58 53.33 3d50 n ASN 310 Cb 0.52 0.60 0.07 0.00 -2.08 0.00 0.00 39.78 38.89 3d50 n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3d50 h VAL 311 N 0.00 1.26 -0.48 3.53 3.04 -1.42 0.16 116.25 122.35 3d50 h VAL 311 Ca 0.00 -0.85 -0.08 0.00 -1.01 0.00 0.00 66.70 64.76 3d50 h VAL 311 Cb 0.00 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 29.62 3d50 h VAL 311 CO 0.00 0.34 -0.00 0.00 -1.01 0.00 0.00 177.57 176.90 3d50 h ALA 312 N 1.17 0.65 -0.54 3.17 0.00 -1.85 0.14 119.26 122.00 3d50 h ALA 312 Ca 0.26 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3d50 h ALA 312 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3d50 h ALA 312 CO -0.02 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.70 3d50 h ALA 313 N 0.92 0.72 -0.31 0.00 0.00 -1.77 -1.28 119.26 117.54 3d50 h ALA 313 Ca 0.14 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3d50 h ALA 313 Cb 0.51 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3d50 h ALA 313 CO 0.03 0.53 -0.31 0.00 0.00 0.00 0.00 179.25 179.50 3d50 h ARG 314 N 0.81 0.76 -0.54 0.00 2.47 -0.43 -2.61 114.38 114.84 3d50 h ARG 314 Ca 0.15 -0.40 -0.00 0.00 -1.26 0.00 0.00 59.98 58.47 3d50 h ARG 314 Cb 0.51 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 3d50 h ARG 314 CO 0.02 1.03 0.34 0.77 0.56 0.00 0.00 179.97 182.69 3d50 h SER 315 N 0.52 0.64 -0.71 7.04 0.02 -0.63 -1.45 113.55 118.98 3d50 h SER 315 Ca 0.05 -0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 3d50 h SER 315 Cb 0.88 -0.16 -0.12 0.00 0.14 0.00 0.00 62.40 63.14 3d50 h SER 315 CO 0.08 0.49 -0.39 0.44 -1.14 0.00 0.00 176.83 176.31 3d50 h ASP 316 N 0.73 -1.37 -0.44 3.07 5.19 -1.14 0.69 116.42 123.15 3d50 h ASP 316 Ca 0.19 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 3d50 h ASP 316 Cb -0.04 0.67 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 3d50 h ASP 316 CO -0.04 -0.31 0.29 -0.07 -3.12 0.00 0.00 179.24 175.99 3d50 h LEU 317 N -0.13 0.51 -0.03 1.55 3.38 -1.02 -2.36 115.31 117.20 3d50 h LEU 317 Ca 0.24 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 3d50 h LEU 317 Cb 0.56 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.19 3d50 h LEU 317 CO -0.77 0.37 -0.29 0.25 0.09 0.00 0.00 178.44 178.09 3d50 h LEU 318 N 0.59 0.30 -1.18 1.67 5.85 -0.79 -2.75 115.31 119.00 3d50 h LEU 318 Ca 0.16 -0.71 0.03 0.00 0.84 0.00 0.00 57.88 58.20 3d50 h LEU 318 Cb -0.06 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3d50 h LEU 318 CO -0.03 0.97 0.56 0.58 -0.34 0.00 0.00 178.44 180.18 3d50 h VAL 319 N -0.34 1.15 -0.70 1.05 2.07 -0.92 0.23 116.25 118.79 3d50 h VAL 319 Ca -0.03 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3d50 h VAL 319 Cb 0.99 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3d50 h VAL 319 CO 0.06 0.20 0.40 -0.78 0.02 0.00 0.00 177.57 177.47 3d50 h ASP 320 N 1.07 0.86 -0.40 0.57 3.58 -1.35 0.28 116.42 121.04 3d50 h ASP 320 Ca 0.33 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.72 3d50 h ASP 320 Cb -0.00 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 3d50 h ASP 320 CO -0.09 0.69 0.24 1.56 -2.88 0.00 0.00 179.24 178.76 3d50 h GLN 321 N 0.96 0.48 -0.52 0.28 1.08 -0.94 -2.28 115.11 114.17 3d50 h GLN 321 Ca 0.25 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3d50 h GLN 321 Cb 0.00 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 3d50 h GLN 321 CO -0.04 0.32 0.34 -1.49 -0.95 0.00 0.00 178.83 177.00 3d50 h TRP 322 N 0.49 0.66 -0.02 2.96 6.55 -0.56 0.20 115.95 126.23 3d50 h TRP 322 Ca 0.16 0.01 -0.12 0.00 0.95 0.00 0.00 58.89 59.89 3d50 h TRP 322 Cb -0.00 -0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 28.06 3d50 h TRP 322 CO -0.07 0.42 -0.53 0.87 -1.05 0.00 0.00 178.44 178.09 3d50 h LYS 323 N 0.70 0.05 0.02 0.49 1.57 -0.85 0.44 116.57 118.99 3d50 h LYS 323 Ca 0.19 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3d50 h LYS 323 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3d50 h LYS 323 CO -0.04 0.56 -0.01 0.87 -0.57 0.00 0.00 179.45 180.27 3d50 h LYS 324 N 0.04 -0.03 -0.49 3.15 1.57 -1.08 -2.67 116.57 117.06 3d50 h LYS 324 Ca -0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 3d50 h LYS 324 Cb 0.95 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 3d50 h LYS 324 CO 0.07 0.41 0.13 -0.22 -0.57 0.00 0.00 179.45 179.27 3d50 h LYS 325 N -0.47 0.28 -0.19 3.15 3.64 -0.64 -1.54 116.57 120.80 3d50 h LYS 325 Ca -0.00 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3d50 h LYS 325 Cb 0.45 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3d50 h LYS 325 CO 0.00 0.18 0.24 0.00 -2.27 0.00 0.00 179.45 177.60 3d50 h ALA 326 N 1.35 1.79 0.00 5.00 0.00 -0.88 -1.38 119.26 125.14 3d50 h ALA 326 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3d50 h ALA 326 Cb 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3d50 h ALA 326 CO -0.28 -0.34 -0.03 0.93 0.00 0.00 0.00 179.25 179.53 3d50 h GLU 327 N 0.00 0.00 0.00 0.00 4.39 -0.91 -2.46 114.58 115.59 3d50 h GLU 327 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3d50 h GLU 327 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3d50 h GLU 327 CO -0.00 0.03 -0.15 1.28 -1.16 0.00 0.00 179.01 179.01 3d50 n LEU 328 N -3.32 0.20 -4.52 1.33 4.77 -0.52 -4.91 117.00 110.04 3d50 n LEU 328 Ca -0.02 0.37 -0.25 0.00 -0.03 0.00 0.00 56.01 56.08 3d50 n LEU 328 Cb 0.17 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.74 3d50 n LEU 328 CO 0.25 0.02 -0.36 -0.31 -1.33 0.00 0.00 177.39 175.66 3d50 s TYR 329 N -3.01 2.27 -0.15 -1.77 1.51 -0.93 -4.41 117.35 110.86 3d50 s TYR 329 Ca 0.13 -0.59 0.22 0.00 -1.01 0.00 0.00 57.07 55.82 3d50 s TYR 329 Cb 0.18 -1.35 -0.14 0.00 -0.11 0.00 0.00 41.96 40.54 3d50 s TYR 329 CO 0.58 0.46 0.80 0.54 -1.11 0.00 0.00 175.55 176.83 3d50 n ARG 330 N -0.75 0.62 -3.77 -0.62 1.74 -1.26 -4.96 116.66 107.66 3d50 n ARG 330 Ca -0.05 -0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.76 3d50 n ARG 330 Cb 0.64 -1.69 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3d50 n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3d50 s THR 331 N -3.43 1.78 -0.37 0.55 -4.23 -1.26 -4.71 115.64 103.97 3d50 s THR 331 Ca -0.04 -1.43 0.08 0.00 -1.18 0.00 0.00 61.69 59.12 3d50 s THR 331 Cb 0.11 -2.22 0.63 0.00 1.34 0.00 0.00 72.50 72.37 3d50 s THR 331 CO 0.84 0.00 1.65 -0.46 -0.54 0.00 0.00 174.62 176.11 3d50 n ASN 332 N -1.79 4.37 -4.22 3.99 6.94 -1.26 -4.85 115.26 118.43 3d50 n ASN 332 Ca 0.01 -3.04 -0.33 0.00 -0.02 0.00 0.00 54.58 51.20 3d50 n ASN 332 Cb 0.64 -0.71 -0.16 0.00 -2.36 0.00 0.00 39.78 37.18 3d50 n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3d50 s VAL 333 N -2.60 2.35 -0.13 3.53 1.01 -1.26 -0.33 120.40 122.97 3d50 s VAL 333 Ca 0.47 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3d50 s VAL 333 Cb 0.37 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3d50 s VAL 333 CO 0.11 0.53 -0.20 -0.22 0.00 0.00 0.00 175.10 175.33 3d50 s LEU 334 N 0.78 2.26 -0.23 3.92 2.96 0.48 -4.96 118.68 123.91 3d50 s LEU 334 Ca -0.07 -0.53 -0.16 0.00 -0.22 0.00 0.00 54.13 53.16 3d50 s LEU 334 Cb -0.16 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 3d50 s LEU 334 CO -0.00 0.12 0.40 -0.22 -1.32 0.00 0.00 176.35 175.32 3d50 s LEU 335 N 0.62 4.11 -0.50 -0.68 2.96 -1.26 -0.88 118.68 123.06 3d50 s LEU 335 Ca -0.11 0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.29 3d50 s LEU 335 Cb -0.16 -2.50 0.13 0.00 0.50 0.00 0.00 46.19 44.16 3d50 s LEU 335 CO 0.03 -0.12 0.25 -0.63 -1.32 0.00 0.00 176.35 174.55 3d50 s ILE 336 N 1.59 2.32 0.61 6.68 -1.09 -0.12 -4.98 121.20 126.21 3d50 s ILE 336 Ca 0.18 -3.12 -0.19 0.00 -2.23 0.00 0.00 60.65 55.28 3d50 s ILE 336 Cb -0.15 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 3d50 s ILE 336 CO 0.08 -0.81 1.30 -2.65 -1.23 0.00 0.00 174.94 171.63 3d50 n PRO 337 N 3.24 1.32 -3.69 2.79 -0.02 -1.26 -0.87 135.00 136.51 3d50 n PRO 337 Ca 0.06 0.50 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 3d50 n PRO 337 Cb 0.33 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.15 3d50 n PRO 337 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3d50 s LEU 338 N -3.85 2.32 0.00 2.45 2.96 -0.26 -4.75 118.68 117.55 3d50 s LEU 338 Ca 0.78 -2.18 0.00 0.00 -0.22 0.00 0.00 54.13 52.51 3d50 s LEU 338 Cb -0.40 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.40 3d50 s LEU 338 CO 0.44 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 3d50 n GLY 339 N 4.12 -0.99 0.87 7.98 0.00 -1.26 -1.86 105.19 114.05 3d50 n GLY 339 Ca 0.05 -1.14 -0.00 0.00 0.00 0.00 0.00 46.02 44.93 3d50 n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d50 n ASP 340 N 0.00 -0.35 -4.71 1.61 -0.08 -1.25 -3.54 116.55 108.23 3d50 n ASP 340 Ca 0.00 -1.16 -0.42 0.00 -1.51 0.00 0.00 54.79 51.70 3d50 n ASP 340 Cb 0.00 0.57 -0.03 0.00 2.34 0.00 0.00 41.12 44.00 3d50 n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3d50 s ASP 341 N -1.57 6.48 -1.72 1.67 1.11 -1.26 -1.66 116.67 119.72 3d50 s ASP 341 Ca 0.06 2.73 -0.19 0.00 0.18 0.00 0.00 52.55 55.32 3d50 s ASP 341 Cb -0.00 -2.59 0.17 0.00 1.07 0.00 0.00 42.92 41.56 3d50 s ASP 341 CO 0.01 -0.92 0.78 0.49 1.18 0.00 0.00 175.17 176.71 3d50 n PHE 342 N 4.41 -1.71 -1.88 4.23 3.72 0.12 -4.80 117.46 121.56 3d50 n PHE 342 Ca 0.15 0.79 -0.29 0.00 -0.05 0.00 0.00 57.45 58.06 3d50 n PHE 342 Cb 0.37 -2.87 0.10 0.00 -0.94 0.00 0.00 39.48 36.14 3d50 n PHE 342 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3d50 s ARG 343 N -6.96 1.81 -1.16 -1.08 1.81 -1.15 -4.39 118.95 107.84 3d50 s ARG 343 Ca 0.76 0.08 -0.04 0.00 -1.72 0.00 0.00 55.73 54.81 3d50 s ARG 343 Cb -0.41 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.15 3d50 s ARG 343 CO 0.94 -1.69 0.99 1.19 -0.68 0.00 0.00 175.30 176.04 3d50 n PHE 344 N -3.38 -2.29 -0.01 -0.53 3.72 -1.26 -4.73 117.46 108.98 3d50 n PHE 344 Ca 0.08 0.89 -0.01 0.00 -0.05 0.00 0.00 57.45 58.37 3d50 n PHE 344 Cb 0.61 -4.75 -0.00 0.00 -0.94 0.00 0.00 39.48 34.40 3d50 n PHE 344 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3d50 n LYS 345 N -4.20 0.06 -2.32 -1.08 4.81 -1.26 -4.42 118.16 109.74 3d50 n LYS 345 Ca -0.14 0.21 -0.40 0.00 -0.87 0.00 0.00 58.31 57.11 3d50 n LYS 345 Cb 0.61 -0.79 -0.03 0.00 0.02 0.00 0.00 35.03 34.83 3d50 n LYS 345 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3d50 s GLN 346 N -1.17 4.50 0.28 1.64 1.11 -1.26 -4.42 119.66 120.33 3d50 s GLN 346 Ca -0.02 1.97 0.02 0.00 0.01 0.00 0.00 55.36 57.34 3d50 s GLN 346 Cb 0.00 -3.11 0.62 0.00 -1.01 0.00 0.00 33.01 29.51 3d50 s GLN 346 CO 0.03 0.02 1.77 -0.91 0.01 0.00 0.00 175.29 176.21 3d50 h ASN 347 N 3.58 0.62 0.21 5.90 2.35 -1.95 0.17 115.58 126.46 3d50 h ASN 347 Ca -0.48 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.33 3d50 h ASN 347 Cb 1.22 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 3d50 h ASN 347 CO 0.66 0.24 -0.18 0.71 -1.65 0.00 0.00 177.43 177.21 3d50 h THR 348 N 0.67 1.04 -0.09 2.81 1.35 -2.00 -2.34 112.91 114.35 3d50 h THR 348 Ca 0.51 -0.62 -0.08 0.00 -0.55 0.00 0.00 66.41 65.67 3d50 h THR 348 Cb 0.76 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3d50 h THR 348 CO -0.38 0.17 -0.24 -0.08 -0.25 0.00 0.00 175.52 174.75 3d50 h GLU 349 N 0.00 0.32 -0.39 4.72 4.81 -1.35 -1.27 114.58 121.42 3d50 h GLU 349 Ca -0.00 -0.23 0.08 0.00 -0.13 0.00 0.00 59.36 59.08 3d50 h GLU 349 Cb 0.33 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.67 3d50 h GLU 349 CO 0.02 0.84 -0.12 -1.49 -0.73 0.00 0.00 179.01 177.53 3d50 h TRP 350 N -0.14 -0.28 -0.33 0.92 4.06 -1.08 -2.10 115.95 117.01 3d50 h TRP 350 Ca -0.00 0.04 0.02 0.00 2.06 0.00 0.00 58.89 61.01 3d50 h TRP 350 Cb 0.85 0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 29.17 3d50 h TRP 350 CO 0.12 -0.20 0.16 -0.44 -3.56 0.00 0.00 178.44 174.51 3d50 h ASP 351 N -0.04 0.23 -0.41 -3.49 3.32 -1.42 -0.98 116.42 113.63 3d50 h ASP 351 Ca 0.19 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 3d50 h ASP 351 Cb 0.33 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3d50 h ASP 351 CO -0.42 0.17 0.02 1.62 -1.72 0.00 0.00 179.24 178.91 3d50 h VAL 352 N 0.33 1.26 -0.05 -1.35 3.04 -1.08 0.37 116.25 118.77 3d50 h VAL 352 Ca 0.14 -0.97 -0.01 0.00 -1.01 0.00 0.00 66.70 64.85 3d50 h VAL 352 Cb 0.05 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.42 3d50 h VAL 352 CO -0.10 0.33 -0.00 1.56 -1.01 0.00 0.00 177.57 178.35 3d50 h GLN 353 N 0.54 0.08 -0.25 4.17 1.08 -1.37 -3.09 115.11 116.27 3d50 h GLN 353 Ca 0.12 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 3d50 h GLN 353 Cb 0.45 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3d50 h GLN 353 CO 0.02 0.38 -0.17 -0.09 -0.95 0.00 0.00 178.83 178.01 3d50 h ARG 354 N -0.22 0.56 -0.21 1.46 2.43 -0.99 -1.98 114.38 115.42 3d50 h ARG 354 Ca 0.01 -0.27 -0.17 0.00 -0.81 0.00 0.00 59.98 58.75 3d50 h ARG 354 Cb 0.34 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3d50 h ARG 354 CO 0.00 0.84 -0.53 0.28 -1.51 0.00 0.00 179.97 179.06 3d50 h VAL 355 N 0.27 1.30 -0.44 0.20 2.07 -1.05 0.05 116.25 118.65 3d50 h VAL 355 Ca 0.05 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 3d50 h VAL 355 Cb 0.71 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3d50 h VAL 355 CO 0.05 0.55 0.24 0.78 0.02 0.00 0.00 177.57 179.21 3d50 h ASN 356 N 0.45 0.56 -0.65 0.57 2.35 -1.56 -1.82 115.58 115.48 3d50 h ASN 356 Ca -0.01 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 3d50 h ASN 356 Cb 1.14 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.34 3d50 h ASN 356 CO 0.11 0.49 0.16 1.88 -1.65 0.00 0.00 177.43 178.43 3d50 h TYR 357 N 0.58 1.09 -0.97 1.19 0.05 -1.28 -2.08 116.97 115.56 3d50 h TYR 357 Ca 0.16 -0.13 0.04 0.00 0.05 0.00 0.00 58.73 58.85 3d50 h TYR 357 Cb 0.06 -0.31 -0.06 0.00 1.01 0.00 0.00 36.73 37.43 3d50 h TYR 357 CO -0.02 0.90 0.64 0.93 -1.05 0.00 0.00 178.16 179.56 3d50 h GLU 358 N 0.96 1.17 -0.63 4.88 5.08 -0.76 0.15 114.58 125.44 3d50 h GLU 358 Ca 0.20 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3d50 h GLU 358 Cb 0.36 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3d50 h GLU 358 CO 0.00 0.78 0.34 0.00 -1.00 0.00 0.00 179.01 179.13 3d50 h ARG 359 N 1.21 0.88 -0.32 2.33 3.08 -0.88 -0.71 114.38 119.97 3d50 h ARG 359 Ca 0.39 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 3d50 h ARG 359 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3d50 h ARG 359 CO -0.13 0.67 0.13 -0.07 -1.07 0.00 0.00 179.97 179.49 3d50 h LEU 360 N 0.86 0.44 -0.25 3.04 3.38 -0.70 -2.50 115.31 119.58 3d50 h LEU 360 Ca 0.22 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3d50 h LEU 360 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3d50 h LEU 360 CO -0.04 0.49 0.15 -0.26 0.09 0.00 0.00 178.44 178.88 3d50 h PHE 361 N 0.37 0.33 -0.57 1.13 0.04 -0.52 -0.40 116.94 117.32 3d50 h PHE 361 Ca 0.11 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.92 3d50 h PHE 361 Cb 0.19 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 3d50 h PHE 361 CO -0.00 0.24 0.31 1.49 -0.60 0.00 0.00 178.31 179.74 3d50 h GLU 362 N 0.32 0.57 -0.02 1.51 4.81 -0.96 -1.02 114.58 119.78 3d50 h GLU 362 Ca 0.09 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3d50 h GLU 362 Cb 0.01 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 3d50 h GLU 362 CO -0.02 0.38 -0.01 1.25 -0.73 0.00 0.00 179.01 179.88 3d50 h HIS 363 N 0.59 0.05 -0.30 0.92 2.76 -1.26 -3.06 115.15 114.85 3d50 h HIS 363 Ca 0.25 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 3d50 h HIS 363 Cb 0.13 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3d50 h HIS 363 CO -0.09 0.46 0.19 0.82 -1.30 0.00 0.00 177.93 178.01 3d50 h ILE 364 N -0.37 1.10 0.00 6.26 2.04 -0.95 -2.52 117.51 123.06 3d50 h ILE 364 Ca 0.00 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3d50 h ILE 364 Cb 0.45 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3d50 h ILE 364 CO 0.00 0.09 -0.11 0.78 0.00 0.00 0.00 178.15 178.91 3d50 h ASN 365 N 0.39 0.00 0.12 1.72 2.35 -1.27 -2.73 115.58 116.16 3d50 h ASN 365 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3d50 h ASN 365 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3d50 h ASN 365 CO -0.02 0.11 -0.63 -1.54 -1.65 0.00 0.00 177.43 173.70 3d50 n SER 366 N -3.50 1.22 -4.30 5.81 3.41 -1.06 -4.74 113.62 110.47 3d50 n SER 366 Ca -0.01 -1.00 -0.45 0.00 -0.26 0.00 0.00 58.87 57.14 3d50 n SER 366 Cb 0.26 0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 64.72 3d50 n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3d50 s GLN 367 N -2.76 2.94 0.53 4.33 -1.52 -0.98 -4.94 119.66 117.26 3d50 s GLN 367 Ca 0.14 -1.74 0.19 0.00 -1.95 0.00 0.00 55.36 52.00 3d50 s GLN 367 Cb 0.17 -4.25 1.37 0.00 -0.22 0.00 0.00 33.01 30.08 3d50 s GLN 367 CO 0.69 -1.31 2.15 0.00 -0.25 0.00 0.00 175.29 176.57 3d50 h ALA 368 N 8.79 1.97 0.00 6.09 0.00 -1.85 -1.56 119.26 132.71 3d50 h ALA 368 Ca -0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3d50 h ALA 368 Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3d50 h ALA 368 CO 1.01 -0.07 -0.00 1.12 0.00 0.00 0.00 179.25 181.30 3d50 h HIS 369 N 0.00 0.00 0.00 0.00 2.07 -1.93 -1.32 115.15 113.97 3d50 h HIS 369 Ca 0.03 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.41 3d50 h HIS 369 Cb 0.11 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.07 3d50 h HIS 369 CO 0.00 0.00 -0.65 0.74 -3.07 0.00 0.00 177.93 174.95 3d50 h PHE 370 N 0.00 0.00 -6.38 6.12 0.04 -1.59 -3.48 116.94 111.65 3d50 h PHE 370 Ca -0.00 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.30 3d50 h PHE 370 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3d50 h PHE 370 CO 0.00 0.65 -0.89 0.09 -0.60 0.00 0.00 178.31 177.56 3d50 n ASN 371 N -3.42 -1.35 -4.07 2.17 3.02 -0.50 -4.89 115.26 106.23 3d50 n ASN 371 Ca 0.00 -0.98 -0.19 0.00 -0.03 0.00 0.00 54.58 53.39 3d50 n ASN 371 Cb 0.73 -3.28 -0.14 0.00 -0.61 0.00 0.00 39.78 36.49 3d50 n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d50 s VAL 372 N -3.82 0.84 -0.24 2.41 1.01 -1.26 -1.43 120.40 117.90 3d50 s VAL 372 Ca 0.09 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3d50 s VAL 372 Cb -0.03 -0.74 0.06 0.00 0.00 0.00 0.00 36.38 35.67 3d50 s VAL 372 CO 0.87 0.10 -0.07 -1.58 0.00 0.00 0.00 175.10 174.43 3d50 s GLN 373 N -0.60 1.79 -0.00 2.72 2.00 -0.33 -4.36 119.66 120.87 3d50 s GLN 373 Ca 0.02 -1.10 0.04 0.00 -2.00 0.00 0.00 55.36 52.31 3d50 s GLN 373 Cb -0.05 -2.68 -0.03 0.00 0.80 0.00 0.00 33.01 31.05 3d50 s GLN 373 CO 0.00 -0.60 -0.10 0.00 -0.50 0.00 0.00 175.29 174.10 3d50 s ALA 374 N 1.31 2.90 0.11 1.58 0.00 -1.26 -0.98 121.76 125.41 3d50 s ALA 374 Ca -0.06 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 50.61 3d50 s ALA 374 Cb -0.19 -1.05 0.07 0.00 0.00 0.00 0.00 23.12 21.95 3d50 s ALA 374 CO -0.06 0.60 0.61 1.14 0.00 0.00 0.00 175.76 178.04 3d50 s GLN 375 N -1.30 1.21 0.49 0.00 0.00 -0.64 -4.90 119.66 114.52 3d50 s GLN 375 Ca 0.16 -0.31 -0.24 0.00 -0.00 0.00 0.00 55.36 54.97 3d50 s GLN 375 Cb -0.11 0.56 -0.07 0.00 0.00 0.00 0.00 33.01 33.40 3d50 s GLN 375 CO 0.06 -0.50 1.35 -0.06 0.00 0.00 0.00 175.29 176.14 3d50 s PHE 376 N -3.14 2.48 0.26 9.60 0.08 -1.26 -1.37 117.98 124.63 3d50 s PHE 376 Ca -0.02 1.37 -0.10 0.00 0.12 0.00 0.00 56.93 58.29 3d50 s PHE 376 Cb -0.01 -3.77 -0.00 0.00 -0.57 0.00 0.00 43.02 38.67 3d50 s PHE 376 CO -0.07 -2.63 0.46 0.20 -0.10 0.00 0.00 175.22 173.08 3d50 s GLY 377 N -0.84 0.74 0.46 4.36 0.00 -0.05 -4.73 107.32 107.26 3d50 s GLY 377 Ca 0.65 -1.03 0.08 0.00 0.00 0.00 0.00 44.72 44.42 3d50 s GLY 377 CO 0.49 -0.73 0.51 -0.51 0.00 0.00 0.00 173.10 172.86 3d50 s THR 378 N -3.81 2.54 0.11 0.90 -4.23 -1.26 -4.19 115.64 105.71 3d50 s THR 378 Ca 0.25 -1.20 -0.17 0.00 -1.18 0.00 0.00 61.69 59.39 3d50 s THR 378 Cb -0.00 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 3d50 s THR 378 CO 0.11 0.00 1.63 0.25 -0.54 0.00 0.00 174.62 176.07 3d50 h LEU 379 N 0.73 0.49 -1.18 4.79 5.85 -1.96 -2.48 115.31 121.55 3d50 h LEU 379 Ca -0.38 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.18 3d50 h LEU 379 Cb 1.28 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3d50 h LEU 379 CO 0.51 0.57 0.57 -0.61 -0.34 0.00 0.00 178.44 179.14 3d50 h GLN 380 N 0.39 0.99 -0.90 1.25 5.75 -1.96 -1.61 115.11 119.02 3d50 h GLN 380 Ca 0.11 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3d50 h GLN 380 Cb 0.26 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 3d50 h GLN 380 CO -0.00 0.65 0.50 0.93 -2.65 0.00 0.00 178.83 178.26 3d50 h GLU 381 N 1.02 1.26 0.80 1.69 5.08 -1.88 -0.02 114.58 122.53 3d50 h GLU 381 Ca 0.36 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 3d50 h GLU 381 Cb 0.14 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3d50 h GLU 381 CO -0.13 0.91 -0.47 -0.92 -1.00 0.00 0.00 179.01 177.40 3d50 h TYR 382 N 1.26 -1.26 -0.75 4.33 3.20 -1.00 -2.25 116.97 120.50 3d50 h TYR 382 Ca 0.32 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.23 3d50 h TYR 382 Cb 0.02 0.44 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 3d50 h TYR 382 CO 0.01 -0.72 0.45 0.74 -1.64 0.00 0.00 178.16 177.00 3d50 h PHE 383 N -1.19 0.82 -0.72 -3.82 0.04 -1.11 -0.95 116.94 110.02 3d50 h PHE 383 Ca -0.11 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.77 3d50 h PHE 383 Cb 0.95 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.77 3d50 h PHE 383 CO -0.09 0.41 0.39 -0.44 -0.60 0.00 0.00 178.31 177.98 3d50 h ASP 384 N 0.82 0.55 -0.37 2.17 3.32 -0.99 -0.94 116.42 120.98 3d50 h ASP 384 Ca 0.33 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.28 3d50 h ASP 384 Cb 0.17 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3d50 h ASP 384 CO -0.18 0.34 -0.33 0.00 -1.72 0.00 0.00 179.24 177.35 3d50 h ALA 385 N 1.40 0.54 -0.27 3.45 0.00 -0.86 -1.64 119.26 121.88 3d50 h ALA 385 Ca 0.34 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3d50 h ALA 385 Cb 0.28 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3d50 h ALA 385 CO -0.22 0.60 -0.07 0.28 0.00 0.00 0.00 179.25 179.84 3d50 h VAL 386 N 0.68 0.73 -0.07 0.00 2.07 -0.85 -1.92 116.25 116.89 3d50 h VAL 386 Ca 0.06 -0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.49 3d50 h VAL 386 Cb 0.91 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3d50 h VAL 386 CO 0.08 0.00 -0.40 0.45 0.02 0.00 0.00 177.57 177.72 3d50 h HIS 387 N 0.00 0.17 -0.80 1.57 -0.00 -1.06 -0.10 115.15 114.93 3d50 h HIS 387 Ca 0.13 -0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.48 3d50 h HIS 387 Cb 0.20 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.52 3d50 h HIS 387 CO -0.27 0.53 0.52 1.96 -0.00 0.00 0.00 177.93 180.67 3d50 h GLN 388 N 0.12 1.01 -0.36 2.45 4.20 -1.12 0.10 115.11 121.52 3d50 h GLN 388 Ca 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3d50 h GLN 388 Cb 0.77 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3d50 h GLN 388 CO 0.06 0.67 0.13 0.00 -0.67 0.00 0.00 178.83 179.01 3d50 h ALA 389 N 1.31 0.46 -0.27 3.87 0.00 -0.85 -0.79 119.26 122.99 3d50 h ALA 389 Ca 0.30 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3d50 h ALA 389 Cb -0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3d50 h ALA 389 CO -0.09 0.08 -0.06 1.49 0.00 0.00 0.00 179.25 180.68 3d50 h GLU 390 N 0.43 0.01 -0.58 0.00 4.81 -0.87 -1.24 114.58 117.13 3d50 h GLU 390 Ca 0.12 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3d50 h GLU 390 Cb 0.22 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3d50 h GLU 390 CO -0.01 0.00 0.23 0.00 -0.73 0.00 0.00 179.01 178.50 3d50 h ARG 391 N 0.01 0.85 0.00 1.92 3.08 -0.58 -0.56 114.38 119.09 3d50 h ARG 391 Ca 0.13 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3d50 h ARG 391 Cb 0.20 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3d50 h ARG 391 CO -0.28 0.70 0.00 0.00 -1.07 0.00 0.00 179.97 179.32 3d50 n ALA 392 N -2.45 2.06 -1.11 0.04 0.00 -0.32 -4.78 120.51 113.95 3d50 n ALA 392 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 3d50 n ALA 392 Cb 0.17 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 3d50 n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d50 n GLY 393 N 0.03 0.67 0.20 0.00 0.00 -0.22 -4.92 105.19 100.95 3d50 n GLY 393 Ca 0.05 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.43 3d50 n GLY 393 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3d50 h GLN 394 N 0.12 0.00 -2.70 1.61 4.15 -1.35 -3.47 115.11 113.47 3d50 h GLN 394 Ca -0.08 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 3d50 h GLN 394 Cb 0.28 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 27.79 3d50 h GLN 394 CO 0.11 0.14 -0.02 0.00 -1.93 0.00 0.00 178.83 177.13 3d50 s ALA 395 N -3.15 -1.26 0.04 3.38 0.00 -1.26 -4.87 121.76 114.65 3d50 s ALA 395 Ca 0.06 0.65 0.06 0.00 0.00 0.00 0.00 51.96 52.73 3d50 s ALA 395 Cb 0.06 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 3d50 s ALA 395 CO 0.69 -0.42 -0.17 -1.83 0.00 0.00 0.00 175.76 174.03 3d50 s GLU 396 N -1.95 1.15 0.01 0.00 -1.05 -1.26 -4.65 118.70 110.95 3d50 s GLU 396 Ca -0.08 -0.84 -0.00 0.00 -0.15 0.00 0.00 54.97 53.90 3d50 s GLU 396 Cb -0.01 -1.21 -0.04 0.00 -0.44 0.00 0.00 34.13 32.43 3d50 s GLU 396 CO 0.02 0.30 0.10 -0.06 0.95 0.00 0.00 175.26 176.57 3d50 s PHE 397 N -0.81 3.32 0.62 4.83 0.08 -1.26 -5.09 117.98 119.66 3d50 s PHE 397 Ca 0.04 0.21 -0.16 0.00 0.12 0.00 0.00 56.93 57.15 3d50 s PHE 397 Cb -0.08 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3d50 s PHE 397 CO 0.01 0.56 1.09 -1.25 -0.10 0.00 0.00 175.22 175.54 3d50 s PRO 398 N -1.88 3.06 0.12 0.24 0.04 -1.26 -4.80 135.00 130.51 3d50 s PRO 398 Ca 0.25 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 3d50 s PRO 398 Cb -0.12 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3d50 s PRO 398 CO 0.16 -1.04 0.46 0.95 0.04 0.00 0.00 177.00 177.57 3d50 s THR 399 N -2.31 5.01 -0.07 1.26 -4.23 -1.26 -0.60 115.64 113.45 3d50 s THR 399 Ca 0.66 0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 61.64 3d50 s THR 399 Cb -0.19 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.00 3d50 s THR 399 CO 0.38 0.22 0.21 -0.22 -0.54 0.00 0.00 174.62 174.66 3d50 s LEU 400 N -2.08 1.22 0.16 4.79 0.20 -0.69 -1.61 118.68 120.67 3d50 s LEU 400 Ca 0.37 0.36 0.02 0.00 0.69 0.00 0.00 54.13 55.57 3d50 s LEU 400 Cb -0.14 0.73 -0.05 0.00 -0.43 0.00 0.00 46.19 46.31 3d50 s LEU 400 CO 0.19 -0.11 -0.02 -0.94 -0.29 0.00 0.00 176.35 175.18 3d50 s SER 401 N -0.05 1.27 0.00 3.68 1.04 -0.50 -1.09 113.70 118.04 3d50 s SER 401 Ca -0.02 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.29 3d50 s SER 401 Cb -0.02 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3d50 s SER 401 CO 0.00 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.31 3d50 n GLY 402 N -0.20 0.17 3.49 7.32 0.00 -1.26 -1.09 105.19 113.62 3d50 n GLY 402 Ca -0.08 -2.29 -0.25 0.00 0.00 0.00 0.00 46.02 43.40 3d50 n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3d50 s ASP 403 N -4.00 2.65 -0.41 1.61 -4.77 -1.26 -4.33 116.67 106.16 3d50 s ASP 403 Ca 0.00 -1.63 0.08 0.00 -3.30 0.00 0.00 52.55 47.70 3d50 s ASP 403 Cb 0.00 0.43 0.43 0.00 -1.09 0.00 0.00 42.92 42.69 3d50 s ASP 403 CO 0.00 -0.89 1.07 0.49 0.70 0.00 0.00 175.17 176.54 3d50 n PHE 404 N -0.86 2.89 -4.54 2.11 3.72 -0.02 -4.91 117.46 115.84 3d50 n PHE 404 Ca -0.05 -3.03 -0.29 0.00 -0.05 0.00 0.00 57.45 54.03 3d50 n PHE 404 Cb 0.65 -0.15 -0.14 0.00 -0.94 0.00 0.00 39.48 38.90 3d50 n PHE 404 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3d50 s PHE 405 N -3.45 2.29 -0.15 1.38 0.08 -1.26 -2.69 117.98 114.19 3d50 s PHE 405 Ca 0.43 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 57.02 3d50 s PHE 405 Cb 0.41 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 3d50 s PHE 405 CO -0.13 0.27 0.11 0.99 -0.10 0.00 0.00 175.22 176.36 3d50 s THR 406 N -0.98 5.28 0.29 0.64 2.01 -1.26 -5.10 115.64 116.53 3d50 s THR 406 Ca 0.13 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 3d50 s THR 406 Cb -0.10 -3.33 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 3d50 s THR 406 CO 0.05 0.55 1.27 -0.47 -0.69 0.00 0.00 174.62 175.33 3d50 s TYR 407 N -0.47 3.19 -0.05 4.92 5.04 -1.26 -4.80 117.35 123.91 3d50 s TYR 407 Ca 0.12 1.42 0.03 0.00 -2.44 0.00 0.00 57.07 56.19 3d50 s TYR 407 Cb -0.12 -3.60 0.01 0.00 0.35 0.00 0.00 41.96 38.61 3d50 s TYR 407 CO 0.02 -1.65 -0.13 0.00 -1.34 0.00 0.00 175.55 172.46 3d50 s ALA 408 N -0.86 1.24 -0.22 3.97 0.00 -1.26 -0.43 121.76 124.19 3d50 s ALA 408 Ca 0.50 -0.45 0.21 0.00 0.00 0.00 0.00 51.96 52.22 3d50 s ALA 408 Cb -0.38 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3d50 s ALA 408 CO 0.47 0.15 1.07 0.38 0.00 0.00 0.00 175.76 177.83 3d50 h ASP 409 N 6.73 0.00 -4.47 0.00 2.03 -1.90 -2.97 116.42 115.84 3d50 h ASP 409 Ca -0.32 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.05 3d50 h ASP 409 Cb 1.18 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.49 3d50 h ASP 409 CO 0.48 0.16 0.46 0.00 -1.03 0.00 0.00 179.24 179.31 3d50 s ARG 410 N -3.22 0.77 3.53 4.15 1.70 -1.26 -4.80 118.95 119.82 3d50 s ARG 410 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.24 3d50 s ARG 410 Cb 0.09 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 3d50 s ARG 410 CO 0.78 -0.28 0.00 0.45 -1.08 0.00 0.00 175.30 175.17 3d50 n SER 411 N 0.38 0.00 -1.52 -2.89 2.88 -1.26 -1.08 113.62 110.13 3d50 n SER 411 Ca -0.11 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.46 3d50 n SER 411 Cb 0.59 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.37 3d50 n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3d50 n ASP 412 N 2.37 4.67 -4.52 -3.46 5.75 -1.26 -4.87 116.55 115.23 3d50 n ASP 412 Ca 0.00 -3.09 -0.43 0.00 -0.01 0.00 0.00 54.79 51.25 3d50 n ASP 412 Cb 0.00 -0.65 -0.00 0.00 -1.03 0.00 0.00 41.12 39.44 3d50 n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3d50 s ASN 413 N -1.37 6.89 0.06 -1.12 0.02 -0.24 -4.97 114.94 114.22 3d50 s ASN 413 Ca 0.50 -2.57 -0.20 0.00 -1.02 0.00 0.00 52.86 49.57 3d50 s ASN 413 Cb 0.40 -2.49 -0.06 0.00 0.02 0.00 0.00 41.25 39.12 3d50 s ASN 413 CO 0.12 -1.01 0.59 -0.31 0.02 0.00 0.00 177.10 176.51 3d50 s TYR 414 N 3.02 3.79 -1.11 2.20 1.51 -1.26 -3.54 117.35 121.96 3d50 s TYR 414 Ca 0.47 1.28 -0.02 0.00 -1.01 0.00 0.00 57.07 57.79 3d50 s TYR 414 Cb -0.00 -2.54 0.26 0.00 -0.11 0.00 0.00 41.96 39.58 3d50 s TYR 414 CO 0.02 0.53 1.98 0.91 -1.11 0.00 0.00 175.55 177.88 3d50 n TRP 415 N 1.92 2.72 1.07 2.71 7.02 0.43 -3.14 117.44 130.16 3d50 n TRP 415 Ca -0.09 -2.63 0.12 0.00 -1.02 0.00 0.00 57.50 53.87 3d50 n TRP 415 Cb 0.51 -1.38 0.11 0.00 -2.42 0.00 0.00 31.31 28.13 3d50 n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3d50 n SER 416 N 0.46 1.56 -0.22 -0.99 3.41 -1.23 -4.42 113.62 112.19 3d50 n SER 416 Ca 0.51 -1.22 -0.08 0.00 -0.26 0.00 0.00 58.87 57.82 3d50 n SER 416 Cb 0.26 0.42 0.03 0.00 -0.26 0.00 0.00 64.21 64.65 3d50 n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3d50 h GLY 417 N 4.89 1.00 1.17 5.00 0.00 -1.02 -2.82 103.07 111.31 3d50 h GLY 417 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3d50 h GLY 417 CO 0.00 0.55 0.00 1.58 0.00 0.00 0.00 176.54 178.67 3d50 n TYR 418 N -4.41 0.00 0.53 5.60 4.11 -1.06 -1.32 117.16 120.62 3d50 n TYR 418 Ca 0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.04 3d50 n TYR 418 Cb 0.20 -0.09 0.44 0.00 -0.00 0.00 0.00 39.34 39.90 3d50 n TYR 418 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 3d50 n TYR 419 N -1.09 0.53 0.00 -3.48 4.01 -1.06 -4.01 117.16 112.06 3d50 n TYR 419 Ca 0.15 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 3d50 n TYR 419 Cb 0.11 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 3d50 n TYR 419 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3d50 n THR 420 N -1.96 0.00 -1.53 -0.72 -1.04 -0.43 -2.26 114.28 106.33 3d50 n THR 420 Ca 0.04 0.00 -0.49 0.00 -2.04 0.00 0.00 64.05 61.55 3d50 n THR 420 Cb 0.26 -0.47 -0.04 0.00 -1.82 0.00 0.00 70.33 68.26 3d50 n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3d50 n SER 421 N -1.31 0.62 -3.51 8.00 7.64 -0.93 -2.76 113.62 121.37 3d50 n SER 421 Ca 0.00 1.15 -0.23 0.00 1.01 0.00 0.00 58.87 60.80 3d50 n SER 421 Cb 0.25 -1.13 0.04 0.00 -1.01 0.00 0.00 64.21 62.36 3d50 n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3d50 n ARG 422 N 1.41 -1.46 0.26 1.43 3.00 -1.26 -3.98 116.66 116.06 3d50 n ARG 422 Ca 0.15 0.72 0.16 0.00 -0.01 0.00 0.00 57.85 58.88 3d50 n ARG 422 Cb 0.24 -4.54 0.59 0.00 0.00 0.00 0.00 32.46 28.75 3d50 n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3d50 h PRO 423 N -1.23 0.00 -0.68 5.56 0.13 -1.84 -2.61 132.00 131.32 3d50 h PRO 423 Ca -0.55 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.60 3d50 h PRO 423 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 3d50 h PRO 423 CO 0.44 0.00 0.43 -0.92 -0.23 0.00 0.00 178.00 177.71 3d50 h TYR 424 N 0.00 0.80 0.00 1.56 3.20 -1.89 -1.36 116.97 119.28 3d50 h TYR 424 Ca 0.00 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 3d50 h TYR 424 Cb 0.58 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3d50 h TYR 424 CO 0.00 0.47 -0.68 0.45 -1.64 0.00 0.00 178.16 176.76 3d50 h HIS 425 N 0.85 0.00 -0.73 -3.82 3.86 -1.84 -1.46 115.15 112.01 3d50 h HIS 425 Ca 0.27 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.41 3d50 h HIS 425 Cb -0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 3d50 h HIS 425 CO -0.04 0.68 0.20 0.87 0.86 0.00 0.00 177.93 180.50 3d50 h LYS 426 N 0.00 1.15 -0.22 2.45 1.57 -1.37 -0.30 116.57 119.84 3d50 h LYS 426 Ca -0.01 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 3d50 h LYS 426 Cb 1.42 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 3d50 h LYS 426 CO 0.09 0.99 -0.20 -0.09 -0.57 0.00 0.00 179.45 179.67 3d50 h ARG 427 N 1.09 0.53 -0.96 3.15 9.65 -1.14 -3.13 114.38 123.58 3d50 h ARG 427 Ca 0.23 -0.27 0.10 0.00 -1.10 0.00 0.00 59.98 58.94 3d50 h ARG 427 Cb 0.34 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.85 3d50 h ARG 427 CO -0.00 0.85 0.61 1.98 2.80 0.00 0.00 179.97 186.21 3d50 h MET 428 N 0.22 0.95 -0.70 0.20 4.05 -1.05 -1.27 114.93 117.34 3d50 h MET 428 Ca 0.04 -0.06 0.15 0.00 -0.28 0.00 0.00 59.70 59.55 3d50 h MET 428 Cb 0.75 -0.21 -0.12 0.00 -0.80 0.00 0.00 31.60 31.22 3d50 h MET 428 CO 0.05 0.63 0.06 0.22 0.23 0.00 0.00 176.91 178.10 3d50 h ASP 429 N 0.98 -0.20 0.26 1.39 3.58 -1.00 0.47 116.42 121.91 3d50 h ASP 429 Ca 0.45 0.17 -0.20 0.00 0.42 0.00 0.00 57.03 57.87 3d50 h ASP 429 Cb 0.41 0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 3d50 h ASP 429 CO -0.21 -0.11 -0.80 0.03 -2.88 0.00 0.00 179.24 175.27 3d50 h ARG 430 N 0.16 0.42 0.22 0.28 2.47 -1.26 0.50 114.38 117.18 3d50 h ARG 430 Ca 0.38 -0.38 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3d50 h ARG 430 Cb 0.66 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 3d50 h ARG 430 CO -0.57 1.03 -0.10 0.28 0.56 0.00 0.00 179.97 181.16 3d50 h VAL 431 N 0.27 0.82 -0.23 2.04 2.07 -0.97 -2.77 116.25 117.48 3d50 h VAL 431 Ca -0.05 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 3d50 h VAL 431 Cb 1.40 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3d50 h VAL 431 CO 0.14 0.04 -0.17 0.25 0.02 0.00 0.00 177.57 177.84 3d50 h LEU 432 N -0.37 0.39 -0.45 2.57 5.85 -0.85 -2.06 115.31 120.39 3d50 h LEU 432 Ca -0.03 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.68 3d50 h LEU 432 Cb 0.28 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 3d50 h LEU 432 CO 0.05 0.58 -0.13 -0.03 -0.34 0.00 0.00 178.44 178.57 3d50 h MET 433 N 0.37 -0.03 -0.40 1.25 4.05 -0.74 0.25 114.93 119.68 3d50 h MET 433 Ca 0.07 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.33 3d50 h MET 433 Cb 0.52 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 3d50 h MET 433 CO 0.03 -0.02 -0.36 1.25 0.23 0.00 0.00 176.91 178.05 3d50 h HIS 434 N -0.03 1.12 -0.19 1.39 -0.00 -1.19 -2.38 115.15 113.87 3d50 h HIS 434 Ca 0.22 -0.32 -0.12 0.00 -0.00 0.00 0.00 60.37 60.15 3d50 h HIS 434 Cb 0.36 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 3d50 h HIS 434 CO -0.41 1.15 -0.38 1.88 -0.00 0.00 0.00 177.93 180.17 3d50 h TYR 435 N 0.77 0.50 -0.28 5.26 -1.99 -0.93 0.16 116.97 120.47 3d50 h TYR 435 Ca 0.07 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 3d50 h TYR 435 Cb 0.95 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.56 3d50 h TYR 435 CO 0.06 0.75 0.09 0.28 -0.00 0.00 0.00 178.16 179.34 3d50 h VAL 436 N 0.36 1.19 -0.23 -2.88 2.07 -0.90 -0.02 116.25 115.84 3d50 h VAL 436 Ca 0.04 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3d50 h VAL 436 Cb 0.83 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3d50 h VAL 436 CO 0.07 0.20 0.14 -0.09 0.02 0.00 0.00 177.57 177.91 3d50 h ARG 437 N 0.29 0.31 -0.63 1.57 2.43 -0.95 -1.14 114.38 116.26 3d50 h ARG 437 Ca 0.09 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3d50 h ARG 437 Cb 0.22 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3d50 h ARG 437 CO -0.00 0.23 0.32 0.00 -1.51 0.00 0.00 179.97 179.00 3d50 h ALA 438 N 1.06 0.81 -0.48 2.80 0.00 -0.57 -0.57 119.26 122.31 3d50 h ALA 438 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3d50 h ALA 438 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3d50 h ALA 438 CO -0.02 0.35 0.18 0.00 0.00 0.00 0.00 179.25 179.77 3d50 h ALA 439 N 1.14 0.63 -0.52 0.00 0.00 -0.76 0.11 119.26 119.86 3d50 h ALA 439 Ca 0.22 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3d50 h ALA 439 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3d50 h ALA 439 CO -0.03 0.25 -0.11 0.93 0.00 0.00 0.00 179.25 180.29 3d50 h GLU 440 N 0.64 0.98 0.09 0.00 5.08 -1.01 -2.48 114.58 117.89 3d50 h GLU 440 Ca 0.16 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3d50 h GLU 440 Cb 0.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3d50 h GLU 440 CO -0.01 1.03 -0.04 1.98 -1.00 0.00 0.00 179.01 180.97 3d50 h MET 441 N 0.87 -0.11 -0.83 2.33 4.05 -1.03 -1.73 114.93 118.48 3d50 h MET 441 Ca 0.14 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.61 3d50 h MET 441 Cb 0.66 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.44 3d50 h MET 441 CO 0.05 0.34 0.54 -0.07 0.23 0.00 0.00 176.91 178.00 3d50 h LEU 442 N -0.62 0.85 0.00 3.39 3.38 -0.98 -2.13 115.31 119.21 3d50 h LEU 442 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d50 h LEU 442 Cb 0.50 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3d50 h LEU 442 CO 0.02 0.57 -0.48 0.77 0.09 0.00 0.00 178.44 179.42 3d50 h SER 443 N 0.98 0.00 0.20 -0.43 4.64 -1.48 -3.32 113.55 114.13 3d50 h SER 443 Ca 0.34 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 3d50 h SER 443 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3d50 h SER 443 CO -0.11 0.02 -0.08 0.00 -0.87 0.00 0.00 176.83 175.79 3d50 h ALA 444 N 2.18 1.45 0.00 5.18 0.00 -0.59 -3.12 119.26 124.35 3d50 h ALA 444 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3d50 h ALA 444 Cb 0.91 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3d50 h ALA 444 CO 0.00 0.10 -0.17 -1.49 0.00 0.00 0.00 179.25 177.69 3d50 h TRP 445 N 0.00 0.00 -2.42 0.00 4.06 -1.67 -3.44 115.95 112.49 3d50 h TRP 445 Ca -0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 3d50 h TRP 445 Cb 0.20 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.22 3d50 h TRP 445 CO 0.00 0.17 -0.76 -1.01 -3.56 0.00 0.00 178.44 173.28 3d50 s HIS 446 N -4.29 2.20 0.10 0.49 3.76 -1.18 -5.08 115.29 111.29 3d50 s HIS 446 Ca -0.03 -0.37 -0.24 0.00 -0.15 0.00 0.00 55.06 54.27 3d50 s HIS 446 Cb 0.14 -0.98 -0.07 0.00 1.11 0.00 0.00 32.58 32.79 3d50 s HIS 446 CO 0.63 0.64 0.74 -1.12 -0.85 0.00 0.00 174.74 174.79 3d50 s SER 447 N -3.39 7.26 -0.07 1.40 0.01 -1.26 -4.99 113.70 112.66 3d50 s SER 447 Ca 0.28 1.50 0.03 0.00 1.31 0.00 0.00 55.95 59.06 3d50 s SER 447 Cb -0.05 -2.46 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 3d50 s SER 447 CO 0.13 0.13 -0.14 0.26 0.41 0.00 0.00 173.24 174.03 3d50 s TRP 448 N -0.62 2.74 0.23 2.43 0.52 -1.26 -5.03 118.94 117.94 3d50 s TRP 448 Ca 0.36 -0.27 -0.30 0.00 0.02 0.00 0.00 56.10 55.91 3d50 s TRP 448 Cb -0.21 -1.68 -0.15 0.00 -1.15 0.00 0.00 33.47 30.27 3d50 s TRP 448 CO 0.24 0.09 1.05 -3.47 0.02 0.00 0.00 176.95 174.88 3d50 n ASP 449 N 2.60 1.14 -0.20 2.95 2.03 -1.26 -4.40 116.55 119.42 3d50 n ASP 449 Ca -0.17 1.16 0.27 0.00 0.52 0.00 0.00 54.79 56.56 3d50 n ASP 449 Cb 0.52 -1.23 0.68 0.00 -0.72 0.00 0.00 41.12 40.37 3d50 n ASP 449 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3d50 h GLY 450 N 2.57 0.22 2.00 0.27 0.00 -2.01 -0.10 103.07 106.02 3d50 h GLY 450 Ca -0.40 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3d50 h GLY 450 CO 0.65 -0.01 0.00 -0.33 0.00 0.00 0.00 176.54 176.85 3d50 h MET 451 N 0.09 0.00 0.00 4.80 2.86 -2.04 -1.87 114.93 118.77 3d50 h MET 451 Ca 0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 3d50 h MET 451 Cb 1.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.26 3d50 h MET 451 CO -0.05 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.92 3d50 h ALA 452 N 2.01 1.00 -4.15 6.32 0.00 -1.36 -3.47 119.26 119.61 3d50 h ALA 452 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 3d50 h ALA 452 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3d50 h ALA 452 CO 0.00 0.00 -0.45 0.54 0.00 0.00 0.00 179.25 179.34 3d50 n ARG 453 N -2.39 -2.85 0.02 0.00 1.74 -0.70 -4.89 116.66 107.58 3d50 n ARG 453 Ca 0.04 0.69 -0.12 0.00 -0.77 0.00 0.00 57.85 57.69 3d50 n ARG 453 Cb 0.36 -5.37 -0.08 0.00 -1.02 0.00 0.00 32.46 26.34 3d50 n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3d50 h ILE 454 N -0.45 1.14 -0.64 0.55 1.08 -1.85 -2.07 117.51 115.27 3d50 h ILE 454 Ca -0.40 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 63.62 3d50 h ILE 454 Cb 1.28 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 36.43 3d50 h ILE 454 CO 0.46 0.11 0.28 -0.33 -0.69 0.00 0.00 178.15 177.98 3d50 h GLU 455 N -0.18 0.94 0.01 2.37 3.07 -1.94 -0.76 114.58 118.09 3d50 h GLU 455 Ca -0.00 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 58.72 3d50 h GLU 455 Cb 0.18 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 3d50 h GLU 455 CO 0.00 0.77 -0.08 1.49 -1.40 0.00 0.00 179.01 179.79 3d50 h GLU 456 N 0.89 -0.14 -0.62 2.33 4.81 -1.94 -1.03 114.58 118.88 3d50 h GLU 456 Ca 0.22 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 3d50 h GLU 456 Cb 0.16 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3d50 h GLU 456 CO -0.02 -0.09 0.05 0.00 -0.73 0.00 0.00 179.01 178.21 3d50 h ARG 457 N -0.14 1.06 -0.41 1.92 -0.00 -1.03 -2.01 114.38 113.78 3d50 h ARG 457 Ca 0.03 -0.31 -0.10 0.00 -0.50 0.00 0.00 59.98 59.11 3d50 h ARG 457 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.02 3d50 h ARG 457 CO -0.07 1.01 -0.13 -0.07 0.00 0.00 0.00 179.97 180.70 3d50 h LEU 458 N 0.98 0.74 -0.40 3.04 3.38 -1.07 -1.39 115.31 120.59 3d50 h LEU 458 Ca 0.18 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3d50 h LEU 458 Cb 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3d50 h LEU 458 CO 0.02 0.89 -0.18 -0.08 0.09 0.00 0.00 178.44 179.18 3d50 h GLU 459 N 0.67 0.83 -0.28 1.13 4.81 -0.98 -0.43 114.58 120.33 3d50 h GLU 459 Ca 0.11 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 3d50 h GLU 459 Cb 0.61 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3d50 h GLU 459 CO 0.04 0.99 0.13 0.37 -0.73 0.00 0.00 179.01 179.81 3d50 h GLN 460 N 0.64 0.40 -0.23 1.92 4.15 -1.18 -0.50 115.11 120.31 3d50 h GLN 460 Ca 0.09 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 3d50 h GLN 460 Cb 0.73 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 3d50 h GLN 460 CO 0.06 0.39 0.14 0.00 -1.93 0.00 0.00 178.83 177.48 3d50 h ALA 461 N 0.99 0.30 -0.76 3.38 0.00 -1.05 -0.01 119.26 122.10 3d50 h ALA 461 Ca 0.09 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3d50 h ALA 461 Cb 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3d50 h ALA 461 CO -0.01 -0.19 0.49 0.00 0.00 0.00 0.00 179.25 179.54 3d50 h ARG 462 N 0.28 0.94 -0.44 0.00 3.08 -0.93 -1.87 114.38 115.44 3d50 h ARG 462 Ca 0.08 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3d50 h ARG 462 Cb 0.03 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3d50 h ARG 462 CO -0.01 0.62 -0.24 0.00 -1.07 0.00 0.00 179.97 179.27 3d50 h ARG 463 N 0.96 0.90 -0.17 0.04 3.08 -0.65 0.56 114.38 119.11 3d50 h ARG 463 Ca 0.30 -0.39 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 3d50 h ARG 463 Cb -0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3d50 h ARG 463 CO -0.10 1.04 -0.58 0.93 -1.07 0.00 0.00 179.97 180.19 3d50 h GLU 464 N 0.77 0.55 -0.46 0.04 4.39 -0.88 0.14 114.58 119.13 3d50 h GLU 464 Ca 0.10 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 3d50 h GLU 464 Cb 0.79 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 3d50 h GLU 464 CO 0.07 0.98 0.02 1.25 -1.16 0.00 0.00 179.01 180.16 3d50 h LEU 465 N 0.42 0.79 -0.98 1.33 5.85 -1.29 -2.79 115.31 118.63 3d50 h LEU 465 Ca 0.00 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3d50 h LEU 465 Cb 1.14 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3d50 h LEU 465 CO 0.11 0.89 0.49 0.28 -0.34 0.00 0.00 178.44 179.87 3d50 h SER 466 N 0.66 1.07 -0.85 1.25 0.02 -0.73 -2.48 113.55 112.50 3d50 h SER 466 Ca 0.13 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3d50 h SER 466 Cb 0.48 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3d50 h SER 466 CO 0.02 0.85 0.43 0.25 -1.14 0.00 0.00 176.83 177.24 3d50 h LEU 467 N 1.21 1.09 -0.56 5.07 5.85 -0.82 -2.56 115.31 124.59 3d50 h LEU 467 Ca 0.31 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3d50 h LEU 467 Cb 0.00 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.76 3d50 h LEU 467 CO -0.05 0.90 0.00 0.33 -0.34 0.00 0.00 178.44 179.27 3d50 n PHE 468 N -4.34 0.66 0.48 1.25 7.35 -0.94 -1.41 117.46 120.51 3d50 n PHE 468 Ca 0.08 0.26 0.10 0.00 -0.76 0.00 0.00 57.45 57.13 3d50 n PHE 468 Cb 0.12 -0.92 0.41 0.00 0.35 0.00 0.00 39.48 39.44 3d50 n PHE 468 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3d50 n GLN 469 N -2.10 0.09 -1.43 -4.13 1.13 -0.96 -0.52 117.38 109.46 3d50 n GLN 469 Ca 0.02 0.31 -0.42 0.00 -1.94 0.00 0.00 57.00 54.98 3d50 n GLN 469 Cb 0.22 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 28.90 3d50 n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3d50 n HIS 470 N -1.85 -0.76 1.05 1.08 -0.00 -0.50 -0.55 115.22 113.68 3d50 n HIS 470 Ca 0.03 0.62 0.04 0.00 -0.00 0.00 0.00 57.72 58.41 3d50 n HIS 470 Cb 0.21 -1.95 0.25 0.00 -0.00 0.00 0.00 29.99 28.50 3d50 n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3d50 n HIS 471 N -0.85 0.00 -0.01 1.57 1.44 -1.19 -0.75 115.22 115.44 3d50 n HIS 471 Ca 0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.83 3d50 n HIS 471 Cb 0.39 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.51 3d50 n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3d50 n ASP 472 N -0.75 1.91 0.00 4.39 8.00 -1.26 -4.68 116.55 124.17 3d50 n ASP 472 Ca 0.06 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.72 3d50 n ASP 472 Cb 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3d50 n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d50 n GLY 473 N -0.34 0.50 0.38 0.44 0.00 0.07 -3.28 105.19 102.96 3d50 n GLY 473 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 3d50 n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3d50 h ILE 474 N 0.00 0.53 0.00 -0.61 2.10 -0.84 -0.34 117.51 118.35 3d50 h ILE 474 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 3d50 h ILE 474 Cb 0.00 0.70 -0.00 0.00 -1.09 0.00 0.00 36.82 36.43 3d50 h ILE 474 CO 0.00 0.00 -0.00 0.71 -1.08 0.00 0.00 178.15 177.78 3d50 h THR 475 N 0.00 0.03 -3.03 2.19 1.35 -1.82 -3.43 112.91 108.20 3d50 h THR 475 Ca 0.22 -0.13 -0.29 0.00 -0.55 0.00 0.00 66.41 65.66 3d50 h THR 475 Cb 1.03 1.12 0.03 0.00 -1.73 0.00 0.00 68.15 68.60 3d50 h THR 475 CO -0.00 0.00 -0.42 0.61 -0.25 0.00 0.00 175.52 175.46 3d50 n GLY 476 N -0.83 -0.20 1.19 5.82 0.00 -0.14 -4.47 105.19 106.57 3d50 n GLY 476 Ca -0.02 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.92 3d50 n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d50 n THR 477 N -4.12 2.44 -3.22 2.61 -2.24 -1.25 -4.58 114.28 103.91 3d50 n THR 477 Ca -0.11 -1.74 -0.19 0.00 -2.27 0.00 0.00 64.05 59.74 3d50 n THR 477 Cb 0.60 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3d50 n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d50 s ALA 478 N -2.82 4.23 0.78 6.98 0.00 -1.21 -4.93 121.76 124.80 3d50 s ALA 478 Ca 0.46 -1.46 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 3d50 s ALA 478 Cb 0.37 -1.75 0.06 0.00 0.00 0.00 0.00 23.12 21.80 3d50 s ALA 478 CO 0.11 -0.20 1.12 0.15 0.00 0.00 0.00 175.76 176.95 3d50 s LYS 479 N -4.31 2.06 0.28 0.00 1.02 -0.37 -4.73 119.74 113.69 3d50 s LYS 479 Ca 0.49 1.39 0.01 0.00 0.02 0.00 0.00 55.97 57.88 3d50 s LYS 479 Cb -0.10 -1.86 0.60 0.00 -0.52 0.00 0.00 37.83 35.95 3d50 s LYS 479 CO 0.33 -1.82 1.78 1.15 -0.92 0.00 0.00 175.35 175.86 3d50 h THR 480 N -0.95 0.75 0.00 2.17 2.02 -1.95 -0.16 112.91 114.80 3d50 h THR 480 Ca -0.45 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3d50 h THR 480 Cb 1.25 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3d50 h THR 480 CO 0.49 0.13 0.00 1.12 0.37 0.00 0.00 175.52 177.63 3d50 h HIS 481 N 0.72 0.00 0.21 3.16 2.07 -1.96 -1.92 115.15 117.43 3d50 h HIS 481 Ca 0.50 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.68 3d50 h HIS 481 Cb 0.70 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.70 3d50 h HIS 481 CO -0.05 0.00 -1.61 0.28 -3.07 0.00 0.00 177.93 173.48 3d50 h VAL 482 N 0.00 1.12 -0.86 6.12 2.07 -1.41 -2.22 116.25 121.07 3d50 h VAL 482 Ca 0.00 -2.64 -0.01 0.00 0.82 0.00 0.00 66.70 64.87 3d50 h VAL 482 Cb 0.67 2.89 -0.04 0.00 -1.52 0.00 0.00 31.29 33.29 3d50 h VAL 482 CO 0.00 0.84 0.49 0.58 0.02 0.00 0.00 177.57 179.49 3d50 h VAL 483 N 0.12 1.24 -0.81 2.57 2.07 -0.84 -1.21 116.25 119.39 3d50 h VAL 483 Ca -0.29 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 3d50 h VAL 483 Cb 2.12 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 3d50 h VAL 483 CO 0.22 0.27 0.49 0.58 0.02 0.00 0.00 177.57 179.15 3d50 h VAL 484 N 1.19 1.22 -0.27 2.57 2.07 -1.33 -1.15 116.25 120.56 3d50 h VAL 484 Ca 0.30 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3d50 h VAL 484 Cb -0.00 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3d50 h VAL 484 CO -0.05 0.23 0.12 -0.78 0.02 0.00 0.00 177.57 177.11 3d50 h ASP 485 N 1.10 0.16 -0.76 0.57 3.58 -0.69 -0.53 116.42 119.86 3d50 h ASP 485 Ca 0.29 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 3d50 h ASP 485 Cb -0.05 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 3d50 h ASP 485 CO -0.06 0.13 0.37 1.88 -2.88 0.00 0.00 179.24 178.68 3d50 h TYR 486 N 0.26 1.09 -0.28 0.28 0.05 -0.87 -1.60 116.97 115.90 3d50 h TYR 486 Ca 0.12 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 3d50 h TYR 486 Cb 0.06 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.45 3d50 h TYR 486 CO -0.11 0.80 0.05 1.49 -1.05 0.00 0.00 178.16 179.34 3d50 h GLU 487 N 1.07 0.46 -0.72 4.88 4.81 -0.98 0.20 114.58 124.31 3d50 h GLU 487 Ca 0.26 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3d50 h GLU 487 Cb 0.11 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3d50 h GLU 487 CO -0.03 0.57 0.47 1.96 -0.73 0.00 0.00 179.01 181.24 3d50 h GLN 488 N 0.28 0.91 -0.30 1.92 4.20 -0.85 0.87 115.11 122.14 3d50 h GLN 488 Ca 0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3d50 h GLN 488 Cb 0.33 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3d50 h GLN 488 CO 0.00 0.60 0.15 0.00 -0.67 0.00 0.00 178.83 178.92 3d50 h ARG 489 N 0.94 0.42 -0.24 1.46 3.08 -1.10 -2.10 114.38 116.83 3d50 h ARG 489 Ca 0.27 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.21 3d50 h ARG 489 Cb -0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3d50 h ARG 489 CO -0.08 0.38 -0.10 0.52 -1.07 0.00 0.00 179.97 179.62 3d50 h MET 490 N 0.35 0.39 -0.42 0.04 2.86 -0.67 -1.15 114.93 116.34 3d50 h MET 490 Ca 0.10 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3d50 h MET 490 Cb 0.09 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3d50 h MET 490 CO -0.01 0.51 0.10 0.37 1.06 0.00 0.00 176.91 178.93 3d50 h GLN 491 N 0.37 0.68 -0.73 1.72 5.75 -0.51 0.03 115.11 122.42 3d50 h GLN 491 Ca 0.07 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3d50 h GLN 491 Cb 0.41 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.84 3d50 h GLN 491 CO 0.02 0.70 0.47 0.93 -2.65 0.00 0.00 178.83 178.30 3d50 h GLU 492 N 0.55 0.98 -0.29 1.69 4.39 -1.12 -1.74 114.58 119.04 3d50 h GLU 492 Ca 0.13 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3d50 h GLU 492 Cb 0.33 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3d50 h GLU 492 CO 0.00 0.66 0.11 0.00 -1.16 0.00 0.00 179.01 178.62 3d50 h ALA 493 N 1.52 0.38 -0.75 3.43 0.00 -0.61 -0.24 119.26 122.98 3d50 h ALA 493 Ca 0.27 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3d50 h ALA 493 Cb -0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3d50 h ALA 493 CO -0.05 -0.01 0.45 -0.07 0.00 0.00 0.00 179.25 179.57 3d50 h LEU 494 N 0.32 0.71 -0.58 0.00 3.38 -0.72 -0.19 115.31 118.24 3d50 h LEU 494 Ca 0.10 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3d50 h LEU 494 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3d50 h LEU 494 CO -0.01 0.46 0.14 0.11 0.09 0.00 0.00 178.44 179.24 3d50 h LYS 495 N 0.84 0.92 -0.62 1.13 1.57 -1.00 0.02 116.57 119.44 3d50 h LYS 495 Ca 0.33 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3d50 h LYS 495 Cb 0.14 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3d50 h LYS 495 CO -0.16 0.86 0.28 0.00 -0.57 0.00 0.00 179.45 179.86 3d50 h ALA 496 N 1.03 0.80 -0.49 3.86 0.00 -0.28 -1.64 119.26 122.53 3d50 h ALA 496 Ca 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3d50 h ALA 496 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3d50 h ALA 496 CO 0.00 0.38 0.23 0.00 0.00 0.00 0.00 179.25 179.86 3d50 h GLN 498 N 0.65 0.70 -0.09 0.00 4.15 -0.80 0.30 115.11 120.02 3d50 h GLN 498 Ca 0.17 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.57 3d50 h GLN 498 Cb 0.13 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3d50 h GLN 498 CO -0.02 0.47 -0.04 1.98 -1.93 0.00 0.00 178.83 179.29 3d50 h MET 499 N 0.73 -0.02 -0.25 1.69 4.05 -1.01 0.93 114.93 121.04 3d50 h MET 499 Ca 0.20 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 3d50 h MET 499 Cb -0.07 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 3d50 h MET 499 CO -0.05 -0.02 0.14 0.28 0.23 0.00 0.00 176.91 177.49 3d50 h VAL 500 N -0.02 1.12 -0.21 -5.77 2.07 -0.96 -2.10 116.25 110.38 3d50 h VAL 500 Ca 0.05 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3d50 h VAL 500 Cb 0.10 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3d50 h VAL 500 CO -0.11 0.11 0.12 0.24 0.02 0.00 0.00 177.57 177.96 3d50 h MET 501 N 0.29 0.24 -0.23 1.57 2.07 -0.67 -0.96 114.93 117.25 3d50 h MET 501 Ca 0.09 -0.01 -0.16 0.00 -2.07 0.00 0.00 59.70 57.54 3d50 h MET 501 Cb 0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.73 3d50 h MET 501 CO -0.01 0.16 -0.51 -0.56 1.07 0.00 0.00 176.91 177.05 3d50 h GLN 502 N 0.25 0.64 -0.88 1.72 -0.00 -0.69 0.38 115.11 116.53 3d50 h GLN 502 Ca 0.08 -0.39 -0.01 0.00 -0.00 0.00 0.00 58.65 58.34 3d50 h GLN 502 Cb -0.00 0.04 -0.04 0.00 -0.00 0.00 0.00 27.48 27.47 3d50 h GLN 502 CO -0.04 1.00 0.52 1.96 -0.00 0.00 0.00 178.83 182.27 3d50 h GLN 503 N 0.50 1.21 -0.44 0.06 1.08 -1.30 -2.26 115.11 113.96 3d50 h GLN 503 Ca 0.02 -0.12 -0.11 0.00 -1.45 0.00 0.00 58.65 56.99 3d50 h GLN 503 Cb 1.07 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 3d50 h GLN 503 CO 0.10 0.85 -0.15 0.77 -0.95 0.00 0.00 178.83 179.46 3d50 h SER 504 N 1.22 0.88 -0.77 1.46 0.02 -0.60 -2.59 113.55 113.17 3d50 h SER 504 Ca 0.32 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3d50 h SER 504 Cb -0.03 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 3d50 h SER 504 CO -0.06 1.06 0.48 0.58 -1.14 0.00 0.00 176.83 177.75 3d50 h VAL 505 N 0.70 1.21 -0.77 2.27 2.07 -0.72 -0.45 116.25 120.56 3d50 h VAL 505 Ca 0.11 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 3d50 h VAL 505 Cb 0.70 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3d50 h VAL 505 CO 0.05 0.21 0.31 0.22 0.02 0.00 0.00 177.57 178.39 3d50 h TYR 506 N 1.05 1.17 -0.19 1.57 3.20 -1.29 -1.47 116.97 121.01 3d50 h TYR 506 Ca 0.28 -0.08 -0.20 0.00 3.14 0.00 0.00 58.73 61.86 3d50 h TYR 506 Cb -0.07 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.86 3d50 h TYR 506 CO -0.01 0.88 -0.68 -0.09 -1.64 0.00 0.00 178.16 176.62 3d50 h ARG 507 N 1.12 0.75 0.00 1.82 2.43 -1.12 -2.93 114.38 116.45 3d50 h ARG 507 Ca 0.26 -0.55 -0.03 0.00 -0.81 0.00 0.00 59.98 58.85 3d50 h ARG 507 Cb 0.20 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3d50 h ARG 507 CO -0.02 1.17 -0.13 -0.07 -1.51 0.00 0.00 179.97 179.41 3d50 h LEU 508 N 0.54 0.00 -2.95 3.80 3.38 -0.66 -3.27 115.31 116.15 3d50 h LEU 508 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d50 h LEU 508 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 3d50 h LEU 508 CO 0.14 0.13 -0.03 0.18 0.09 0.00 0.00 178.44 178.94 3d50 n LEU 509 N -3.26 2.24 -4.23 1.67 4.77 -0.59 -4.85 117.00 112.75 3d50 n LEU 509 Ca 0.01 -3.00 -0.32 0.00 -0.03 0.00 0.00 56.01 52.67 3d50 n LEU 509 Cb 0.39 -0.41 -0.17 0.00 -2.33 0.00 0.00 43.42 40.90 3d50 n LEU 509 CO 0.31 0.70 -0.56 -0.89 -1.33 0.00 0.00 177.39 175.62 3d50 s THR 510 N -2.74 2.07 0.05 -5.08 2.01 -1.11 -0.31 115.64 110.53 3d50 s THR 510 Ca 0.31 -1.03 -0.38 0.00 0.31 0.00 0.00 61.69 60.90 3d50 s THR 510 Cb 0.27 -1.78 -0.17 0.00 0.01 0.00 0.00 72.50 70.83 3d50 s THR 510 CO 0.03 0.56 1.29 1.17 -0.69 0.00 0.00 174.62 176.98 3d50 n LYS 511 N 3.41 0.86 -0.16 4.92 4.81 0.46 -4.70 118.16 127.76 3d50 n LYS 511 Ca -0.19 0.31 0.05 0.00 -0.87 0.00 0.00 58.31 57.62 3d50 n LYS 511 Cb 0.53 -1.92 0.35 0.00 0.02 0.00 0.00 35.03 34.00 3d50 n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3d50 h PRO 512 N 4.26 0.75 0.00 1.64 0.11 -1.92 -0.05 132.00 136.80 3d50 h PRO 512 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3d50 h PRO 512 Cb 1.36 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3d50 h PRO 512 CO 0.75 0.50 0.00 -1.13 -0.21 0.00 0.00 178.00 177.91 3d50 n SER 513 N -4.47 0.00 -0.03 -2.05 3.41 -1.26 -3.21 113.62 106.01 3d50 n SER 513 Ca 0.09 -0.42 -0.01 0.00 -0.26 0.00 0.00 58.87 58.27 3d50 n SER 513 Cb 0.17 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 3d50 n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3d50 n ILE 514 N -1.16 0.36 -1.64 -1.33 5.41 -0.17 -5.02 119.36 115.81 3d50 n ILE 514 Ca 0.16 -0.29 -0.58 0.00 1.00 0.00 0.00 62.75 63.03 3d50 n ILE 514 Cb 0.15 -0.43 -0.08 0.00 -0.71 0.00 0.00 39.64 38.58 3d50 n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3d50 n TYR 515 N -2.13 1.88 -3.23 1.39 9.36 -0.38 -4.93 117.16 119.13 3d50 n TYR 515 Ca -0.09 0.61 -0.25 0.00 3.32 0.00 0.00 57.90 61.49 3d50 n TYR 515 Cb 0.58 -2.42 -0.08 0.00 -0.63 0.00 0.00 39.34 36.79 3d50 n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3d50 n SER 516 N 5.97 0.17 -4.76 2.98 2.88 -1.26 -5.05 113.62 114.55 3d50 n SER 516 Ca 0.32 -2.66 -0.39 0.00 -1.33 0.00 0.00 58.87 54.80 3d50 n SER 516 Cb 0.10 -0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 62.88 3d50 n SER 516 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3d50 s PRO 517 N -1.02 4.57 -0.23 -1.46 0.04 -1.26 -5.03 135.00 130.61 3d50 s PRO 517 Ca 0.35 1.64 -0.07 0.00 0.04 0.00 0.00 61.00 62.96 3d50 s PRO 517 Cb 0.15 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 3d50 s PRO 517 CO -0.12 0.19 0.05 0.34 0.04 0.00 0.00 177.00 177.51 3d50 s ASP 518 N -1.15 5.16 0.00 6.66 -1.08 -1.26 -5.02 116.67 119.98 3d50 s ASP 518 Ca 0.47 -0.15 0.21 0.00 -0.52 0.00 0.00 52.55 52.56 3d50 s ASP 518 Cb -0.27 -1.91 1.08 0.00 -1.46 0.00 0.00 42.92 40.36 3d50 s ASP 518 CO 0.35 0.02 1.67 0.49 0.52 0.00 0.00 175.17 178.22 3d50 n PHE 519 N 4.53 0.00 0.82 -5.34 3.72 -1.26 -1.54 117.46 118.40 3d50 n PHE 519 Ca -0.16 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.33 3d50 n PHE 519 Cb 0.52 -0.26 0.01 0.00 -0.94 0.00 0.00 39.48 38.81 3d50 n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3d50 n SER 520 N -1.26 1.91 -4.86 4.37 3.41 -1.26 -4.98 113.62 110.95 3d50 n SER 520 Ca 0.11 -1.46 -0.32 0.00 -0.26 0.00 0.00 58.87 56.94 3d50 n SER 520 Cb 0.16 0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 3d50 n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3d50 s PHE 521 N -2.04 3.41 -0.65 7.33 5.36 -0.59 -5.04 117.98 125.76 3d50 s PHE 521 Ca 0.16 1.03 -0.18 0.00 -0.96 0.00 0.00 56.93 56.99 3d50 s PHE 521 Cb 0.15 -2.39 0.12 0.00 -0.34 0.00 0.00 43.02 40.56 3d50 s PHE 521 CO 0.43 0.15 0.74 -1.12 -1.46 0.00 0.00 175.22 173.96 3d50 s SER 522 N -2.43 6.30 0.19 6.13 0.01 -1.26 -4.90 113.70 117.73 3d50 s SER 522 Ca 0.51 -1.67 -0.01 0.00 1.31 0.00 0.00 55.95 56.08 3d50 s SER 522 Cb -0.11 -2.29 0.11 0.00 0.21 0.00 0.00 66.02 63.94 3d50 s SER 522 CO 0.21 -1.03 1.48 1.88 0.41 0.00 0.00 173.24 176.19 3d50 h TYR 523 N 8.97 0.57 -4.09 2.43 0.05 -1.95 -3.42 116.97 119.52 3d50 h TYR 523 Ca -0.20 -0.23 -0.16 0.00 0.05 0.00 0.00 58.73 58.19 3d50 h TYR 523 Cb 1.08 -0.10 -0.18 0.00 1.01 0.00 0.00 36.73 38.54 3d50 h TYR 523 CO 0.88 0.96 -0.69 -0.06 -1.05 0.00 0.00 178.16 178.20 3d50 s PHE 524 N -3.78 0.45 0.13 4.88 0.40 -1.26 -0.94 117.98 117.86 3d50 s PHE 524 Ca -0.06 -0.81 0.10 0.00 -0.60 0.00 0.00 56.93 55.56 3d50 s PHE 524 Cb 0.11 -0.32 -0.04 0.00 0.51 0.00 0.00 43.02 43.28 3d50 s PHE 524 CO 0.83 -0.27 -0.20 0.95 0.70 0.00 0.00 175.22 177.23 3d50 s THR 525 N -2.76 2.68 0.35 0.64 -4.23 -0.82 -4.89 115.64 106.60 3d50 s THR 525 Ca -0.03 -1.61 -0.23 0.00 -1.18 0.00 0.00 61.69 58.64 3d50 s THR 525 Cb -0.00 -2.23 -0.10 0.00 1.34 0.00 0.00 72.50 71.51 3d50 s THR 525 CO -0.05 0.08 0.91 -0.76 -0.54 0.00 0.00 174.62 174.25 3d50 s LEU 526 N -2.18 4.19 -0.16 4.79 1.43 -1.26 -1.17 118.68 124.32 3d50 s LEU 526 Ca 0.17 1.70 0.01 0.00 -1.03 0.00 0.00 54.13 54.99 3d50 s LEU 526 Cb -0.10 -4.14 0.02 0.00 0.03 0.00 0.00 46.19 42.00 3d50 s LEU 526 CO 0.09 -0.16 -0.18 -0.62 0.23 0.00 0.00 176.35 175.72 3d50 s ASP 527 N -1.85 2.92 -0.20 2.29 2.15 -0.44 -4.92 116.67 116.63 3d50 s ASP 527 Ca 0.53 -0.57 0.01 0.00 0.43 0.00 0.00 52.55 52.95 3d50 s ASP 527 Cb -0.15 -1.34 0.04 0.00 -0.30 0.00 0.00 42.92 41.18 3d50 s ASP 527 CO 0.20 -0.02 -0.11 -0.62 -0.17 0.00 0.00 175.17 174.45 3d50 s ASP 528 N 1.32 3.41 0.50 -0.34 -1.08 -1.26 -4.23 116.67 114.99 3d50 s ASP 528 Ca 0.04 -0.88 0.31 0.00 -0.52 0.00 0.00 52.55 51.49 3d50 s ASP 528 Cb -0.13 -1.27 1.12 0.00 -1.46 0.00 0.00 42.92 41.18 3d50 s ASP 528 CO -0.11 -0.13 1.88 0.28 0.52 0.00 0.00 175.17 177.61 3d50 h SER 529 N 7.96 0.00 0.00 -0.34 0.02 -1.99 -3.33 113.55 115.88 3d50 h SER 529 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3d50 h SER 529 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3d50 h SER 529 CO 0.49 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.72 3d50 n ARG 530 N -3.00 0.65 -3.71 3.45 1.74 -1.26 -4.53 116.66 110.00 3d50 n ARG 530 Ca 0.02 -0.80 -0.11 0.00 -0.77 0.00 0.00 57.85 56.18 3d50 n ARG 530 Cb 0.35 -0.89 -0.12 0.00 -1.02 0.00 0.00 32.46 30.78 3d50 n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3d50 s TRP 531 N -0.36 -0.48 -0.81 -1.55 -0.11 -1.25 -3.95 118.94 110.43 3d50 s TRP 531 Ca 0.00 1.07 0.18 0.00 1.22 0.00 0.00 56.10 58.57 3d50 s TRP 531 Cb 0.00 0.17 0.76 0.00 -1.50 0.00 0.00 33.47 32.90 3d50 s TRP 531 CO 0.00 -0.29 1.56 -2.30 -4.62 0.00 0.00 176.95 171.30 3d50 n PRO 532 N 4.15 0.07 0.00 5.86 -0.02 -1.26 -4.68 135.00 139.12 3d50 n PRO 532 Ca -0.23 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3d50 n PRO 532 Cb 0.55 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 3d50 n PRO 532 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d50 n GLY 533 N 0.04 0.63 3.70 -1.23 0.00 -1.25 -4.29 105.19 102.79 3d50 n GLY 533 Ca 0.03 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3d50 n GLY 533 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d50 s SER 534 N -1.28 7.29 0.00 1.61 0.01 -1.26 -1.22 113.70 118.85 3d50 s SER 534 Ca 0.00 1.56 0.00 0.00 1.31 0.00 0.00 55.95 58.82 3d50 s SER 534 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3d50 s SER 534 CO 0.00 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.96 3d50 n GLY 535 N 2.99 0.65 0.07 3.44 0.00 -1.26 -4.83 105.19 106.24 3d50 n GLY 535 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 3d50 n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d50 n VAL 536 N -2.00 1.00 -3.60 1.61 0.31 -0.36 -4.93 118.33 110.36 3d50 n VAL 536 Ca 0.00 -0.69 0.02 0.00 -0.01 0.00 0.00 64.34 63.67 3d50 n VAL 536 Cb 0.00 -0.45 -0.06 0.00 -0.91 0.00 0.00 33.84 32.43 3d50 n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3d50 s GLU 537 N -2.55 0.04 -1.32 5.55 2.12 -1.04 -4.95 118.70 116.56 3d50 s GLU 537 Ca -0.08 0.08 -0.16 0.00 0.36 0.00 0.00 54.97 55.17 3d50 s GLU 537 Cb 0.06 0.01 0.09 0.00 0.26 0.00 0.00 34.13 34.55 3d50 s GLU 537 CO 0.72 -0.01 1.80 -3.47 -0.54 0.00 0.00 175.26 173.76 3d50 n ASP 538 N 3.22 4.78 0.07 -1.70 -0.08 -1.26 -4.57 116.55 117.02 3d50 n ASP 538 Ca -0.16 -2.93 0.08 0.00 -1.51 0.00 0.00 54.79 50.28 3d50 n ASP 538 Cb 0.56 -1.68 -0.05 0.00 2.34 0.00 0.00 41.12 42.30 3d50 n ASP 538 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3d50 n SER 539 N 7.11 0.71 -4.69 1.67 3.41 -1.26 -4.95 113.62 115.61 3d50 n SER 539 Ca 0.47 0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.94 3d50 n SER 539 Cb 0.43 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.98 3d50 n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3d50 s ARG 540 N -3.27 4.40 0.46 4.33 0.52 -1.26 -5.01 118.95 119.11 3d50 s ARG 540 Ca -0.02 1.62 -0.22 0.00 -0.52 0.00 0.00 55.73 56.58 3d50 s ARG 540 Cb 0.10 -3.51 -0.08 0.00 0.52 0.00 0.00 34.95 31.98 3d50 s ARG 540 CO 0.81 -0.35 1.09 0.95 0.02 0.00 0.00 175.30 177.82 3d50 s THR 541 N 1.84 3.49 -0.17 0.02 -4.23 -1.26 -5.04 115.64 110.30 3d50 s THR 541 Ca 0.55 1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 62.00 3d50 s THR 541 Cb -0.24 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 3d50 s THR 541 CO 0.23 -0.08 0.19 -0.89 -0.54 0.00 0.00 174.62 173.53 3d50 s THR 542 N -1.73 5.38 -0.23 3.99 2.01 -1.26 -4.46 115.64 119.33 3d50 s THR 542 Ca 0.64 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.68 3d50 s THR 542 Cb -0.23 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 3d50 s THR 542 CO 0.27 0.45 1.44 -0.63 -0.69 0.00 0.00 174.62 175.46 3d50 s ILE 543 N 0.17 3.96 -0.36 1.82 1.01 0.34 -4.92 121.20 123.22 3d50 s ILE 543 Ca 0.12 1.10 -0.14 0.00 0.00 0.00 0.00 60.65 61.73 3d50 s ILE 543 Cb -0.12 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 3d50 s ILE 543 CO 0.01 -0.32 0.29 -0.63 0.00 0.00 0.00 174.94 174.29 3d50 s ILE 544 N 4.52 5.24 0.16 2.92 1.01 -1.26 -1.50 121.20 132.29 3d50 s ILE 544 Ca 0.63 -0.24 0.11 0.00 0.00 0.00 0.00 60.65 61.15 3d50 s ILE 544 Cb -0.22 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3d50 s ILE 544 CO 0.24 -0.10 -0.25 -0.76 0.00 0.00 0.00 174.94 174.06 3d50 s LEU 545 N 1.80 2.38 -0.19 2.97 1.43 -1.26 -4.78 118.68 121.03 3d50 s LEU 545 Ca 0.07 -0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 52.07 3d50 s LEU 545 Cb -0.17 -1.20 0.15 0.00 0.03 0.00 0.00 46.19 44.99 3d50 s LEU 545 CO 0.11 0.15 1.14 -0.83 0.23 0.00 0.00 176.35 177.15 3d50 s GLY 546 N -2.35 -0.17 0.48 -3.19 0.00 -0.13 -4.82 107.32 97.14 3d50 s GLY 546 Ca 0.17 2.16 0.20 0.00 0.00 0.00 0.00 44.72 47.26 3d50 s GLY 546 CO 0.08 0.94 1.96 0.83 0.00 0.00 0.00 173.10 176.91 3d50 h GLU 547 N 2.28 0.21 -0.63 2.90 3.07 -1.96 -1.44 114.58 119.01 3d50 h GLU 547 Ca -0.14 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 3d50 h GLU 547 Cb 1.18 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3d50 h GLU 547 CO 0.27 0.14 0.00 -0.25 -1.40 0.00 0.00 179.01 177.77 3d50 n ASP 548 N -4.43 3.54 0.00 1.42 8.00 -1.26 -4.69 116.55 119.13 3d50 n ASP 548 Ca 0.12 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3d50 n ASP 548 Cb 0.56 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3d50 n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d50 n ILE 549 N 1.45 0.00 -3.26 0.53 3.06 -0.75 -5.11 119.36 115.28 3d50 n ILE 549 Ca 0.22 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.50 3d50 n ILE 549 Cb 0.57 -0.34 -0.02 0.00 0.54 0.00 0.00 39.64 40.38 3d50 n ILE 549 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3d50 s LEU 550 N -4.53 -0.76 0.23 9.51 2.96 -0.62 -4.92 118.68 120.57 3d50 s LEU 550 Ca 0.00 0.67 0.12 0.00 -0.22 0.00 0.00 54.13 54.70 3d50 s LEU 550 Cb 0.00 1.71 0.10 0.00 0.50 0.00 0.00 46.19 48.51 3d50 s LEU 550 CO 0.00 -0.14 1.45 -0.65 -1.32 0.00 0.00 176.35 175.69 3d50 h PRO 551 N 7.84 0.00 -3.61 0.98 0.11 -1.90 -0.31 132.00 135.11 3d50 h PRO 551 Ca -0.17 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.88 3d50 h PRO 551 Cb 1.15 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 3d50 h PRO 551 CO 0.06 0.68 -0.15 -1.54 -0.21 0.00 0.00 178.00 176.84 3d50 s SER 552 N -6.60 -0.10 -0.09 -2.05 1.04 -1.26 -1.29 113.70 103.35 3d50 s SER 552 Ca 0.02 -0.70 -0.05 0.00 0.48 0.00 0.00 55.95 55.69 3d50 s SER 552 Cb 0.10 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.76 3d50 s SER 552 CO 0.77 -0.98 0.21 -0.75 0.98 0.00 0.00 173.24 173.46 3d50 s LYS 553 N -3.93 0.19 0.08 4.02 2.47 0.10 -4.97 119.74 117.71 3d50 s LYS 553 Ca 0.14 0.41 -0.26 0.00 -1.56 0.00 0.00 55.97 54.70 3d50 s LYS 553 Cb 0.01 -0.05 -0.06 0.00 -1.46 0.00 0.00 37.83 36.27 3d50 s LYS 553 CO -0.01 -0.12 0.79 -1.01 0.16 0.00 0.00 175.35 175.17 3d50 s HIS 554 N 0.84 3.79 0.10 4.03 3.76 -1.26 -0.85 115.29 125.70 3d50 s HIS 554 Ca -0.06 1.55 0.08 0.00 -0.15 0.00 0.00 55.06 56.49 3d50 s HIS 554 Cb -0.07 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 3d50 s HIS 554 CO -0.05 0.32 -0.22 0.14 -0.85 0.00 0.00 174.74 174.09 3d50 s VAL 555 N -0.31 1.77 -0.03 -0.90 -7.23 -0.43 -1.49 120.40 111.79 3d50 s VAL 555 Ca 0.39 -1.55 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 3d50 s VAL 555 Cb -0.21 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.13 3d50 s VAL 555 CO 0.25 -0.03 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.21 3d50 s VAL 556 N -1.13 0.90 -0.06 1.32 1.01 -0.38 -0.76 120.40 121.29 3d50 s VAL 556 Ca 0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 3d50 s VAL 556 Cb -0.10 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3d50 s VAL 556 CO 0.04 0.28 -0.02 -0.04 0.00 0.00 0.00 175.10 175.36 3d50 s MET 557 N 0.23 2.87 -0.04 2.72 -1.94 -0.26 -0.47 119.30 122.42 3d50 s MET 557 Ca -0.04 -0.49 0.02 0.00 -1.71 0.00 0.00 55.69 53.47 3d50 s MET 557 Cb -0.10 -2.71 -0.03 0.00 2.01 0.00 0.00 34.83 34.00 3d50 s MET 557 CO 0.01 0.68 -0.08 -1.58 -0.01 0.00 0.00 175.02 174.04 3d50 s HIS 558 N -0.90 2.89 -0.32 -0.03 5.04 -0.01 -1.67 115.29 120.28 3d50 s HIS 558 Ca 0.14 -0.02 0.03 0.00 -1.54 0.00 0.00 55.06 53.67 3d50 s HIS 558 Cb -0.11 -1.66 0.09 0.00 0.04 0.00 0.00 32.58 30.94 3d50 s HIS 558 CO 0.03 0.33 0.02 1.21 -2.34 0.00 0.00 174.74 174.00 3d50 s ASN 559 N -1.06 4.62 0.35 9.88 2.47 -0.37 -1.10 114.94 129.74 3d50 s ASN 559 Ca 0.14 -1.94 0.27 0.00 0.42 0.00 0.00 52.86 51.75 3d50 s ASN 559 Cb -0.11 -1.55 1.03 0.00 -1.45 0.00 0.00 41.25 39.17 3d50 s ASN 559 CO 0.04 -0.34 1.80 0.00 -3.72 0.00 0.00 177.10 174.88 3d50 h THR 560 N 6.64 0.00 -3.96 -5.21 1.03 -1.86 -1.92 112.91 107.62 3d50 h THR 560 Ca -0.08 -0.40 -0.46 0.00 -0.01 0.00 0.00 66.41 65.45 3d50 h THR 560 Cb 1.03 1.27 -0.01 0.00 -1.07 0.00 0.00 68.15 69.37 3d50 h THR 560 CO 0.50 0.00 0.36 -0.76 -0.01 0.00 0.00 175.52 175.61 3d50 s LEU 561 N -5.13 4.15 -0.15 0.00 1.43 -1.26 -4.51 118.68 113.21 3d50 s LEU 561 Ca 0.04 1.84 -0.00 0.00 -1.03 0.00 0.00 54.13 54.98 3d50 s LEU 561 Cb 0.09 -4.24 0.10 0.00 0.03 0.00 0.00 46.19 42.17 3d50 s LEU 561 CO 0.49 -0.29 2.02 -0.81 0.23 0.00 0.00 176.35 177.99 3d50 n PRO 562 N -0.02 1.38 -3.85 1.29 -0.04 -1.26 -1.01 135.00 131.49 3d50 n PRO 562 Ca 0.05 -0.73 -0.12 0.00 -0.04 0.00 0.00 63.50 62.66 3d50 n PRO 562 Cb 0.51 -1.29 -0.10 0.00 -0.04 0.00 0.00 33.50 32.58 3d50 n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3d50 s HIS 563 N -0.83 -0.01 0.15 0.54 -3.43 -1.26 -0.58 115.29 109.86 3d50 s HIS 563 Ca 0.15 -0.01 -0.33 0.00 -0.80 0.00 0.00 55.06 54.06 3d50 s HIS 563 Cb 0.11 -0.02 -0.16 0.00 -1.43 0.00 0.00 32.58 31.08 3d50 s HIS 563 CO -0.00 -0.28 1.09 0.91 -2.00 0.00 0.00 174.74 174.46 3d50 n TRP 564 N 1.62 1.01 -3.92 0.38 7.02 -1.26 -4.02 117.44 118.27 3d50 n TRP 564 Ca -0.21 0.77 -0.13 0.00 -1.02 0.00 0.00 57.50 56.90 3d50 n TRP 564 Cb 0.56 -2.22 -0.14 0.00 -2.42 0.00 0.00 31.31 27.09 3d50 n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3d50 s ARG 565 N -0.36 0.09 -0.03 -0.99 3.52 -0.72 -4.96 118.95 115.50 3d50 s ARG 565 Ca 0.75 -0.02 0.02 0.00 -0.13 0.00 0.00 55.73 56.36 3d50 s ARG 565 Cb -0.93 -0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 32.32 3d50 s ARG 565 CO 0.53 0.00 -0.08 -1.21 -0.81 0.00 0.00 175.30 173.74 3d50 s GLU 566 N 0.09 2.62 -0.21 5.12 2.02 -1.26 -0.62 118.70 126.46 3d50 s GLU 566 Ca -0.01 -0.65 -0.21 0.00 0.02 0.00 0.00 54.97 54.12 3d50 s GLU 566 Cb -0.02 -2.52 0.06 0.00 0.10 0.00 0.00 34.13 31.75 3d50 s GLU 566 CO -0.00 0.63 0.60 -1.14 0.02 0.00 0.00 175.26 175.36 3d50 s GLN 567 N -1.11 0.72 0.35 1.61 0.74 -0.70 -4.98 119.66 116.29 3d50 s GLN 567 Ca 0.15 0.77 -0.27 0.00 0.05 0.00 0.00 55.36 56.06 3d50 s GLN 567 Cb -0.11 0.35 -0.09 0.00 1.10 0.00 0.00 33.01 34.26 3d50 s GLN 567 CO 0.04 -0.10 1.19 -0.51 -0.55 0.00 0.00 175.29 175.36 3d50 s LEU 568 N 0.19 4.36 0.06 3.68 1.43 -1.26 -1.55 118.68 125.58 3d50 s LEU 568 Ca -0.01 2.42 0.07 0.00 -1.03 0.00 0.00 54.13 55.57 3d50 s LEU 568 Cb -0.04 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 3d50 s LEU 568 CO 0.01 -0.49 -0.18 0.68 0.23 0.00 0.00 176.35 176.61 3d50 s VAL 569 N -1.27 1.44 0.11 -1.59 -7.23 -0.24 -4.90 120.40 106.73 3d50 s VAL 569 Ca 0.51 -1.25 0.09 0.00 -1.81 0.00 0.00 61.98 59.53 3d50 s VAL 569 Cb -0.33 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 3d50 s VAL 569 CO 0.43 0.02 -0.24 1.51 -0.31 0.00 0.00 175.10 176.51 3d50 s ASP 570 N -1.44 2.88 0.10 4.85 -4.77 -1.26 -1.56 116.67 115.47 3d50 s ASP 570 Ca 0.04 -0.71 0.03 0.00 -3.30 0.00 0.00 52.55 48.61 3d50 s ASP 570 Cb -0.09 -0.18 -0.04 0.00 -1.09 0.00 0.00 42.92 41.53 3d50 s ASP 570 CO 0.02 0.11 -0.09 -0.36 0.70 0.00 0.00 175.17 175.55 3d50 s PHE 571 N -1.11 1.04 -0.02 2.11 0.08 -0.32 -4.92 117.98 114.83 3d50 s PHE 571 Ca 0.10 -0.72 -0.16 0.00 0.12 0.00 0.00 56.93 56.27 3d50 s PHE 571 Cb -0.10 -0.57 -0.05 0.00 -0.57 0.00 0.00 43.02 41.73 3d50 s PHE 571 CO 0.05 -0.02 0.43 0.71 -0.10 0.00 0.00 175.22 176.29 3d50 s TYR 572 N -2.77 3.68 0.07 0.36 1.51 -1.26 -1.20 117.35 117.73 3d50 s TYR 572 Ca 0.08 0.98 0.02 0.00 -1.01 0.00 0.00 57.07 57.13 3d50 s TYR 572 Cb -0.01 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 3d50 s TYR 572 CO -0.01 0.53 -0.07 0.14 -1.11 0.00 0.00 175.55 175.03 3d50 s VAL 573 N -0.67 0.61 -1.80 0.71 -7.23 0.17 -0.50 120.40 111.69 3d50 s VAL 573 Ca 0.24 -1.51 0.30 0.00 -1.81 0.00 0.00 61.98 59.20 3d50 s VAL 573 Cb -0.16 -1.15 0.60 0.00 0.56 0.00 0.00 36.38 36.23 3d50 s VAL 573 CO 0.13 -0.63 1.98 -1.54 -0.31 0.00 0.00 175.10 174.73 3d50 n SER 574 N 0.70 0.37 -3.84 4.85 3.41 -0.57 -0.75 113.62 117.80 3d50 n SER 574 Ca -0.17 -0.72 -0.12 0.00 -0.26 0.00 0.00 58.87 57.60 3d50 n SER 574 Cb 0.58 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.33 3d50 n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d50 s SER 575 N -2.31 -0.07 0.00 4.04 0.15 -1.26 -4.72 113.70 109.52 3d50 s SER 575 Ca 0.35 0.06 0.27 0.00 0.70 0.00 0.00 55.95 57.34 3d50 s SER 575 Cb 0.21 0.27 1.27 0.00 -1.71 0.00 0.00 66.02 66.06 3d50 s SER 575 CO 0.43 -0.22 1.91 -0.81 1.20 0.00 0.00 173.24 175.75 3d50 n PRO 576 N 2.21 0.18 -3.08 5.44 -0.04 -1.26 -4.40 135.00 134.04 3d50 n PRO 576 Ca -0.18 0.03 -0.44 0.00 -0.04 0.00 0.00 63.50 62.88 3d50 n PRO 576 Cb 0.57 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 3d50 n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3d50 n PHE 577 N -1.40 3.23 -4.59 0.54 3.72 -1.26 -4.93 117.46 112.77 3d50 n PHE 577 Ca 0.10 -3.00 -0.22 0.00 -0.05 0.00 0.00 57.45 54.27 3d50 n PHE 577 Cb 0.27 -1.43 -0.15 0.00 -0.94 0.00 0.00 39.48 37.23 3d50 n PHE 577 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3d50 s VAL 578 N -2.18 1.05 0.23 -4.37 1.01 -1.26 -0.50 120.40 114.37 3d50 s VAL 578 Ca 0.31 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.85 3d50 s VAL 578 Cb 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 3d50 s VAL 578 CO 0.05 0.31 -0.15 -0.94 0.00 0.00 0.00 175.10 174.36 3d50 s SER 579 N -0.05 2.82 -0.04 3.32 1.04 -0.33 -4.78 113.70 115.68 3d50 s SER 579 Ca 0.00 -1.04 0.06 0.00 0.48 0.00 0.00 55.95 55.46 3d50 s SER 579 Cb -0.08 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 3d50 s SER 579 CO 0.00 -0.14 -0.23 -0.69 0.98 0.00 0.00 173.24 173.17 3d50 s VAL 580 N -2.87 1.83 0.18 5.02 1.01 -1.26 -1.45 120.40 122.86 3d50 s VAL 580 Ca 0.25 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.32 3d50 s VAL 580 Cb -0.01 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3d50 s VAL 580 CO 0.09 0.52 -0.12 0.42 0.00 0.00 0.00 175.10 176.01 3d50 s THR 581 N -0.32 1.45 0.51 3.92 -4.23 -0.55 -0.70 115.64 115.73 3d50 s THR 581 Ca 0.03 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.36 3d50 s THR 581 Cb -0.11 -1.98 0.11 0.00 1.34 0.00 0.00 72.50 71.86 3d50 s THR 581 CO 0.01 -0.65 0.70 -0.90 -0.54 0.00 0.00 174.62 173.25 3d50 n ASP 582 N -0.30 0.60 -0.10 3.99 5.68 -0.62 -0.39 116.55 125.39 3d50 n ASP 582 Ca -0.09 -1.58 0.15 0.00 -0.50 0.00 0.00 54.79 52.77 3d50 n ASP 582 Cb 0.61 -0.49 0.82 0.00 -1.14 0.00 0.00 41.12 40.92 3d50 n ASP 582 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3d50 n LEU 583 N 0.00 0.31 -1.18 -2.12 7.94 -1.21 -1.24 117.00 119.50 3d50 n LEU 583 Ca 0.10 -0.11 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 3d50 n LEU 583 Cb 0.37 -0.00 0.28 0.00 0.53 0.00 0.00 43.42 44.60 3d50 n LEU 583 CO 0.26 0.05 0.74 0.00 -1.11 0.00 0.00 177.39 177.33 3d50 n ALA 584 N -0.74 2.46 -1.82 1.96 0.00 -1.26 -4.93 120.51 116.18 3d50 n ALA 584 Ca 0.22 -1.12 -0.18 0.00 0.00 0.00 0.00 53.44 52.36 3d50 n ALA 584 Cb 0.16 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 3d50 n ALA 584 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3d50 n ASN 585 N 1.29 -5.27 -4.69 0.00 5.15 -0.38 -4.99 115.26 106.38 3d50 n ASN 585 Ca 0.21 0.29 -0.42 0.00 -0.60 0.00 0.00 54.58 54.06 3d50 n ASN 585 Cb 0.55 -4.37 -0.03 0.00 -0.53 0.00 0.00 39.78 35.40 3d50 n ASN 585 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3d50 s ASN 586 N -2.58 6.86 0.43 1.20 0.01 -1.26 -4.82 114.94 114.77 3d50 s ASN 586 Ca 0.00 2.11 -0.25 0.00 -0.71 0.00 0.00 52.86 54.01 3d50 s ASN 586 Cb 0.00 -2.56 -0.10 0.00 0.41 0.00 0.00 41.25 39.00 3d50 s ASN 586 CO 0.00 -0.71 1.27 -2.65 -1.51 0.00 0.00 177.10 173.51 3d50 n PRO 587 N 5.28 1.93 -4.65 -0.60 -0.02 -1.26 -1.59 135.00 134.08 3d50 n PRO 587 Ca 0.13 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 3d50 n PRO 587 Cb 0.44 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 3d50 n PRO 587 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d50 s VAL 588 N -1.20 1.58 0.23 -1.45 1.01 0.12 -4.85 120.40 115.83 3d50 s VAL 588 Ca 0.61 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 3d50 s VAL 588 Cb -0.50 -1.42 -0.11 0.00 0.00 0.00 0.00 36.38 34.35 3d50 s VAL 588 CO 0.58 0.45 1.62 -0.70 0.00 0.00 0.00 175.10 177.05 3d50 s GLU 589 N 0.78 4.16 0.17 2.72 2.12 -1.26 -4.24 118.70 123.15 3d50 s GLU 589 Ca -0.11 2.52 0.03 0.00 0.36 0.00 0.00 54.97 57.78 3d50 s GLU 589 Cb -0.16 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 3d50 s GLU 589 CO 0.02 -0.65 -0.05 0.00 -0.54 0.00 0.00 175.26 174.04 3d50 s ALA 590 N 0.64 1.47 -0.02 6.30 0.00 -0.36 -4.25 121.76 125.55 3d50 s ALA 590 Ca 0.68 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3d50 s ALA 590 Cb -0.47 0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3d50 s ALA 590 CO 0.38 -0.20 -0.05 -1.14 0.00 0.00 0.00 175.76 174.75 3d50 s GLN 591 N -3.83 0.59 -0.13 0.00 0.74 0.58 -1.42 119.66 116.19 3d50 s GLN 591 Ca 0.21 -0.17 -0.02 0.00 0.05 0.00 0.00 55.36 55.42 3d50 s GLN 591 Cb 0.04 -0.59 -0.03 0.00 1.10 0.00 0.00 33.01 33.54 3d50 s GLN 591 CO 0.03 0.06 -0.06 0.08 -0.55 0.00 0.00 175.29 174.85 3d50 s VAL 592 N 0.22 3.75 0.22 1.34 1.01 0.20 0.06 120.40 127.20 3d50 s VAL 592 Ca -0.02 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.62 3d50 s VAL 592 Cb -0.07 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3d50 s VAL 592 CO -0.00 0.53 -0.15 -0.44 0.00 0.00 0.00 175.10 175.04 3d50 s SER 593 N 0.05 2.74 0.94 3.32 0.01 -0.16 -1.63 113.70 118.98 3d50 s SER 593 Ca -0.01 -1.03 -0.11 0.00 1.31 0.00 0.00 55.95 56.10 3d50 s SER 593 Cb -0.14 -0.16 0.15 0.00 0.21 0.00 0.00 66.02 66.08 3d50 s SER 593 CO 0.03 -0.15 1.09 -2.84 0.41 0.00 0.00 173.24 171.78 3d50 s PRO 594 N -3.63 0.90 -0.38 12.44 0.02 -1.26 -0.85 135.00 142.24 3d50 s PRO 594 Ca 0.24 0.95 -0.18 0.00 0.02 0.00 0.00 61.00 62.03 3d50 s PRO 594 Cb -0.01 -1.76 0.01 0.00 0.02 0.00 0.00 34.50 32.76 3d50 s PRO 594 CO 0.08 -2.52 0.49 0.08 -0.33 0.00 0.00 177.00 174.80 3d50 s VAL 595 N -2.81 5.03 -0.15 3.83 1.01 -1.26 -4.50 120.40 121.56 3d50 s VAL 595 Ca 0.65 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 3d50 s VAL 595 Cb -0.20 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3d50 s VAL 595 CO 0.58 -0.32 0.03 0.26 0.00 0.00 0.00 175.10 175.65 3d50 s TRP 596 N 2.33 3.22 0.10 5.22 0.52 -1.26 -0.56 118.94 128.51 3d50 s TRP 596 Ca 0.16 0.08 0.06 0.00 0.02 0.00 0.00 56.10 56.42 3d50 s TRP 596 Cb -0.16 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.16 3d50 s TRP 596 CO 0.14 0.26 -0.15 -1.54 0.02 0.00 0.00 176.95 175.68 3d50 s SER 597 N -0.09 1.94 0.03 2.95 1.04 -0.26 -4.95 113.70 114.36 3d50 s SER 597 Ca 0.05 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.77 3d50 s SER 597 Cb -0.12 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 3d50 s SER 597 CO 0.02 -0.11 0.00 0.26 0.98 0.00 0.00 173.24 174.39 3d50 s TRP 598 N -1.79 3.05 -0.02 5.02 0.52 -1.26 0.30 118.94 124.76 3d50 s TRP 598 Ca 0.05 0.05 -0.00 0.00 0.02 0.00 0.00 56.10 56.21 3d50 s TRP 598 Cb -0.07 -1.63 0.02 0.00 -1.15 0.00 0.00 33.47 30.64 3d50 s TRP 598 CO 0.03 0.47 0.03 -1.01 0.02 0.00 0.00 176.95 176.49 3d50 s HIS 599 N -1.17 -0.01 -0.52 -1.98 3.76 -0.44 -4.97 115.29 109.98 3d50 s HIS 599 Ca 0.22 0.11 -0.27 0.00 -0.15 0.00 0.00 55.06 54.97 3d50 s HIS 599 Cb -0.12 -0.11 0.03 0.00 1.11 0.00 0.00 32.58 33.49 3d50 s HIS 599 CO 0.13 -0.06 1.05 -1.58 -0.85 0.00 0.00 174.74 173.44 3d50 s HIS 600 N 0.59 2.78 -0.81 1.40 2.46 -1.26 -1.64 115.29 118.81 3d50 s HIS 600 Ca -0.05 0.39 -0.22 0.00 0.47 0.00 0.00 55.06 55.65 3d50 s HIS 600 Cb -0.07 -4.25 0.08 0.00 -0.13 0.00 0.00 32.58 28.21 3d50 s HIS 600 CO -0.02 -1.32 1.13 0.34 -2.47 0.00 0.00 174.74 172.40 3d50 s ASP 601 N 2.61 6.36 0.00 9.88 2.15 0.65 -4.82 116.67 133.50 3d50 s ASP 601 Ca 0.40 -1.31 0.11 0.00 0.43 0.00 0.00 52.55 52.18 3d50 s ASP 601 Cb -0.09 -2.45 0.68 0.00 -0.30 0.00 0.00 42.92 40.76 3d50 s ASP 601 CO 0.26 -1.39 1.12 0.35 -0.17 0.00 0.00 175.17 175.34 3d50 n THR 602 N 6.01 0.00 -0.09 1.71 -2.24 -1.26 -0.10 114.28 118.30 3d50 n THR 602 Ca 0.11 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.76 3d50 n THR 602 Cb 0.48 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 68.05 3d50 n THR 602 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3d50 h LEU 603 N 0.00 0.00 -0.84 3.22 4.07 -1.94 -3.40 115.31 116.42 3d50 h LEU 603 Ca 0.00 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.69 3d50 h LEU 603 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3d50 h LEU 603 CO 0.00 1.12 -0.14 0.35 -1.08 0.00 0.00 178.44 178.69 3d50 n THR 604 N -4.53 0.00 -3.84 0.22 -2.24 -1.05 -4.97 114.28 97.87 3d50 n THR 604 Ca -0.20 -0.22 -0.26 0.00 -2.27 0.00 0.00 64.05 61.11 3d50 n THR 604 Cb 0.47 0.58 0.02 0.00 -2.10 0.00 0.00 70.33 69.30 3d50 n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3d50 n LYS 605 N -0.11 -4.94 -4.30 -0.78 4.76 0.85 -5.02 118.16 108.63 3d50 n LYS 605 Ca 0.15 0.58 -0.18 0.00 -2.87 0.00 0.00 58.31 55.99 3d50 n LYS 605 Cb 0.38 -5.24 -0.10 0.00 -1.84 0.00 0.00 35.03 28.22 3d50 n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3d50 s THR 606 N -3.53 1.56 -0.29 -0.18 -4.23 -1.19 -4.99 115.64 102.80 3d50 s THR 606 Ca 0.32 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.72 3d50 s THR 606 Cb -0.16 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 3d50 s THR 606 CO 0.83 -0.54 0.12 -0.63 -0.54 0.00 0.00 174.62 173.86 3d50 s ILE 607 N -2.70 4.43 0.07 2.99 1.01 -1.26 -0.25 121.20 125.49 3d50 s ILE 607 Ca 0.17 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 3d50 s ILE 607 Cb -0.02 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.25 3d50 s ILE 607 CO 0.05 0.15 0.24 -1.38 0.00 0.00 0.00 174.94 173.99 3d50 s HIS 608 N 1.60 0.04 0.11 3.97 -3.43 -0.65 -4.31 115.29 112.61 3d50 s HIS 608 Ca 0.05 -0.33 -0.20 0.00 -0.80 0.00 0.00 55.06 53.77 3d50 s HIS 608 Cb -0.16 0.01 -0.07 0.00 -1.43 0.00 0.00 32.58 30.93 3d50 s HIS 608 CO 0.05 -0.52 0.63 -1.25 -2.00 0.00 0.00 174.74 171.65 3d50 s PRO 609 N -3.22 4.28 -0.08 -0.38 0.04 -1.26 -1.32 135.00 133.06 3d50 s PRO 609 Ca -0.00 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.89 3d50 s PRO 609 Cb 0.02 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 3d50 s PRO 609 CO -0.08 0.59 -0.13 -0.65 0.04 0.00 0.00 177.00 176.78 3d50 s GLN 610 N -1.26 2.81 -0.14 4.56 -1.52 0.15 -4.94 119.66 119.31 3d50 s GLN 610 Ca 0.32 -0.67 -0.11 0.00 -1.95 0.00 0.00 55.36 52.95 3d50 s GLN 610 Cb -0.20 -2.49 -0.05 0.00 -0.22 0.00 0.00 33.01 30.06 3d50 s GLN 610 CO 0.21 0.50 0.23 0.20 -0.25 0.00 0.00 175.29 176.18 3d50 s GLY 611 N -0.41 2.19 0.37 3.09 0.00 -1.26 -1.10 107.32 110.20 3d50 s GLY 611 Ca 0.05 -0.53 -0.28 0.00 0.00 0.00 0.00 44.72 43.96 3d50 s GLY 611 CO 0.02 0.13 1.49 -1.26 0.00 0.00 0.00 173.10 173.49 3d50 n SER 612 N 2.99 3.77 -0.41 1.64 2.88 0.28 -4.85 113.62 119.91 3d50 n SER 612 Ca -0.15 1.22 0.10 0.00 -1.33 0.00 0.00 58.87 58.70 3d50 n SER 612 Cb 0.53 -1.61 -0.01 0.00 -0.75 0.00 0.00 64.21 62.36 3d50 n SER 612 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3d50 n THR 613 N 0.60 0.00 -0.05 2.46 -2.24 -1.26 -4.27 114.28 109.53 3d50 n THR 613 Ca 0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3d50 n THR 613 Cb 0.39 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3d50 n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d50 n THR 614 N -0.14 0.00 -3.84 4.28 -2.24 -1.26 -4.04 114.28 107.04 3d50 n THR 614 Ca 0.08 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 3d50 n THR 614 Cb 0.40 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 3d50 n THR 614 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3d50 s LYS 615 N -0.32 0.43 0.18 -0.78 1.02 -1.26 -4.69 119.74 114.32 3d50 s LYS 615 Ca 0.00 -0.18 -0.00 0.00 0.02 0.00 0.00 55.97 55.81 3d50 s LYS 615 Cb 0.00 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.45 3d50 s LYS 615 CO 0.00 -0.10 0.08 0.71 -0.92 0.00 0.00 175.35 175.12 3d50 s TYR 616 N -0.94 1.15 -0.20 3.18 2.02 0.07 -4.15 117.35 118.48 3d50 s TYR 616 Ca -0.10 -1.23 -0.05 0.00 -0.37 0.00 0.00 57.07 55.32 3d50 s TYR 616 Cb -0.06 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.85 3d50 s TYR 616 CO 0.02 -0.46 0.00 1.03 -1.57 0.00 0.00 175.55 174.57 3d50 s ARG 617 N -4.05 3.63 -0.10 -0.62 0.52 -0.03 -0.65 118.95 117.65 3d50 s ARG 617 Ca 0.31 -0.51 -0.04 0.00 -0.52 0.00 0.00 55.73 54.97 3d50 s ARG 617 Cb 0.07 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 3d50 s ARG 617 CO 0.08 0.02 0.06 -1.50 0.02 0.00 0.00 175.30 173.97 3d50 s ILE 618 N 0.98 4.79 -0.04 1.52 2.07 -0.34 -0.99 121.20 129.20 3d50 s ILE 618 Ca 0.02 -0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.23 3d50 s ILE 618 Cb -0.14 -3.05 0.00 0.00 0.13 0.00 0.00 42.46 39.39 3d50 s ILE 618 CO 0.02 0.60 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.89 3d50 s ILE 619 N -0.88 1.10 0.19 2.00 1.01 0.11 -1.18 121.20 123.55 3d50 s ILE 619 Ca 0.13 -0.53 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3d50 s ILE 619 Cb -0.12 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.42 3d50 s ILE 619 CO 0.03 0.33 0.50 0.72 0.00 0.00 0.00 174.94 176.52 3d50 s PHE 620 N 0.14 -0.10 -0.31 3.97 -0.71 -0.60 -0.31 117.98 120.06 3d50 s PHE 620 Ca -0.04 -0.24 -0.23 0.00 -1.04 0.00 0.00 56.93 55.38 3d50 s PHE 620 Cb -0.10 0.36 -0.00 0.00 -1.21 0.00 0.00 43.02 42.07 3d50 s PHE 620 CO 0.01 -0.89 0.75 0.21 -1.34 0.00 0.00 175.22 173.97 3d50 s LYS 621 N -3.87 3.94 0.10 1.99 2.20 -1.26 -1.08 119.74 121.77 3d50 s LYS 621 Ca 0.09 0.52 -0.13 0.00 -0.36 0.00 0.00 55.97 56.09 3d50 s LYS 621 Cb -0.01 -3.73 -0.06 0.00 -1.51 0.00 0.00 37.83 32.52 3d50 s LYS 621 CO -0.03 -0.66 0.49 0.00 -0.36 0.00 0.00 175.35 174.78 3d50 s ALA 622 N 2.89 3.64 -0.15 3.13 0.00 -0.60 -4.91 121.76 125.76 3d50 s ALA 622 Ca 0.31 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.07 3d50 s ALA 622 Cb -0.14 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.56 3d50 s ALA 622 CO 0.12 0.49 -0.18 0.50 0.00 0.00 0.00 175.76 176.70 3d50 s ARG 623 N -1.79 2.64 -0.03 0.00 3.52 -1.26 -1.72 118.95 120.31 3d50 s ARG 623 Ca 0.34 -0.70 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 3d50 s ARG 623 Cb -0.15 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.97 3d50 s ARG 623 CO 0.18 -0.15 -0.10 0.08 -0.81 0.00 0.00 175.30 174.50 3d50 s VAL 624 N 1.20 0.86 1.04 7.11 1.01 0.21 -4.79 120.40 127.03 3d50 s VAL 624 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 3d50 s VAL 624 Cb -0.14 -0.76 0.21 0.00 0.00 0.00 0.00 36.38 35.69 3d50 s VAL 624 CO -0.08 0.26 1.07 -2.84 0.00 0.00 0.00 175.10 173.52 3d50 s PRO 625 N 0.15 0.10 0.24 2.72 0.02 -1.26 -1.76 135.00 135.21 3d50 s PRO 625 Ca -0.03 0.86 -0.31 0.00 0.02 0.00 0.00 61.00 61.54 3d50 s PRO 625 Cb -0.09 -1.67 -0.12 0.00 0.02 0.00 0.00 34.50 32.64 3d50 s PRO 625 CO 0.01 -3.04 1.64 -2.30 -0.33 0.00 0.00 177.00 172.97 3d50 n PRO 626 N -4.44 2.64 -4.18 5.54 -0.02 -1.26 -2.08 135.00 131.21 3d50 n PRO 626 Ca 0.05 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 62.15 3d50 n PRO 626 Cb 0.55 -2.75 -0.04 0.00 -0.02 0.00 0.00 33.50 31.24 3d50 n PRO 626 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3d50 n MET 627 N 3.06 -2.74 -1.79 -0.52 2.81 -0.18 -4.75 117.12 113.01 3d50 n MET 627 Ca 0.13 0.33 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 3d50 n MET 627 Cb 0.35 -4.69 0.00 0.00 -0.71 0.00 0.00 33.22 28.16 3d50 n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d50 n GLY 628 N -1.71 4.18 3.07 3.03 0.00 -0.88 -4.83 105.19 108.04 3d50 n GLY 628 Ca -0.10 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 3d50 n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d50 s LEU 629 N 0.00 2.28 -0.07 0.99 1.43 -0.05 -1.23 118.68 122.03 3d50 s LEU 629 Ca 0.00 -0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3d50 s LEU 629 Cb 0.00 -0.15 0.02 0.00 0.03 0.00 0.00 46.19 46.09 3d50 s LEU 629 CO 0.00 -0.23 0.18 0.00 0.23 0.00 0.00 176.35 176.53 3d50 s ALA 630 N -1.59 -0.42 -0.07 4.21 0.00 -0.67 -0.83 121.76 122.39 3d50 s ALA 630 Ca -0.08 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 3d50 s ALA 630 Cb -0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3d50 s ALA 630 CO -0.00 -0.11 -0.01 0.99 0.00 0.00 0.00 175.76 176.63 3d50 s THR 631 N 0.39 4.16 0.22 0.00 2.01 -0.31 -1.11 115.64 121.00 3d50 s THR 631 Ca -0.02 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.67 3d50 s THR 631 Cb -0.04 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 3d50 s THR 631 CO -0.02 0.58 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.18 3d50 s TYR 632 N -0.89 1.50 -0.05 4.92 1.51 0.06 -3.36 117.35 121.04 3d50 s TYR 632 Ca 0.14 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.29 3d50 s TYR 632 Cb -0.11 -0.86 0.01 0.00 -0.11 0.00 0.00 41.96 40.88 3d50 s TYR 632 CO 0.03 -0.07 -0.12 0.08 -1.11 0.00 0.00 175.55 174.37 3d50 s VAL 633 N -3.46 1.04 -0.22 0.71 1.01 0.47 -1.31 120.40 118.65 3d50 s VAL 633 Ca 0.28 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 3d50 s VAL 633 Cb 0.06 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 3d50 s VAL 633 CO 0.08 0.33 0.12 -0.76 0.00 0.00 0.00 175.10 174.86 3d50 s LEU 634 N 0.46 3.98 -0.04 3.92 1.43 -0.03 -1.48 118.68 126.93 3d50 s LEU 634 Ca -0.10 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 3d50 s LEU 634 Cb -0.13 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 3d50 s LEU 634 CO 0.02 0.10 -0.15 -0.89 0.23 0.00 0.00 176.35 175.66 3d50 s THR 635 N 0.85 1.26 0.47 5.49 2.01 -0.53 -0.72 115.64 124.47 3d50 s THR 635 Ca 0.06 -0.63 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 3d50 s THR 635 Cb -0.13 -1.09 -0.09 0.00 0.01 0.00 0.00 72.50 71.20 3d50 s THR 635 CO 0.03 0.37 0.95 -0.51 -0.69 0.00 0.00 174.62 174.77 3d50 s ILE 636 N 0.03 4.50 0.34 1.82 2.07 -0.41 -1.19 121.20 128.36 3d50 s ILE 636 Ca -0.02 1.28 0.06 0.00 -1.41 0.00 0.00 60.65 60.55 3d50 s ILE 636 Cb -0.10 -3.67 -0.03 0.00 0.13 0.00 0.00 42.46 38.79 3d50 s ILE 636 CO 0.01 -0.53 0.23 -0.94 -1.91 0.00 0.00 174.94 171.81 3d50 s SER 637 N -2.72 1.88 0.00 4.50 1.04 0.35 -4.93 113.70 113.82 3d50 s SER 637 Ca 0.59 -1.72 0.24 0.00 0.48 0.00 0.00 55.95 55.55 3d50 s SER 637 Cb -0.10 0.54 0.32 0.00 0.10 0.00 0.00 66.02 66.88 3d50 s SER 637 CO 0.24 -1.02 1.30 -0.90 0.98 0.00 0.00 173.24 173.84 3d50 n ASP 638 N -1.41 1.94 -3.50 7.02 5.75 -1.26 -4.77 116.55 120.32 3d50 n ASP 638 Ca 0.04 -1.47 -0.16 0.00 -0.01 0.00 0.00 54.79 53.19 3d50 n ASP 638 Cb 0.63 0.25 -0.07 0.00 -1.03 0.00 0.00 41.12 40.91 3d50 n ASP 638 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3d50 s SER 639 N -2.34 1.03 -0.35 -1.12 1.04 -1.26 -5.06 113.70 105.64 3d50 s SER 639 Ca 0.24 -1.55 -0.41 0.00 0.48 0.00 0.00 55.95 54.71 3d50 s SER 639 Cb 0.19 0.57 -0.16 0.00 0.10 0.00 0.00 66.02 66.71 3d50 s SER 639 CO 0.48 -1.12 1.78 0.29 0.98 0.00 0.00 173.24 175.65 3d50 n LYS 640 N -0.53 0.85 -2.28 4.02 5.02 -1.26 -4.82 118.16 119.16 3d50 n LYS 640 Ca 0.04 0.30 -0.36 0.00 -2.02 0.00 0.00 58.31 56.27 3d50 n LYS 640 Cb 0.63 -1.98 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 3d50 n LYS 640 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3d50 s PRO 641 N 3.81 3.61 0.29 1.97 0.02 -1.26 -4.96 135.00 138.48 3d50 s PRO 641 Ca 1.02 1.69 0.03 0.00 0.02 0.00 0.00 61.00 63.76 3d50 s PRO 641 Cb -1.17 -2.24 0.66 0.00 0.02 0.00 0.00 34.50 31.77 3d50 s PRO 641 CO 0.68 -0.65 1.75 1.49 -0.33 0.00 0.00 177.00 179.94 3d50 h GLU 642 N 1.71 0.61 -0.44 5.54 4.81 -1.98 -2.95 114.58 121.87 3d50 h GLU 642 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3d50 h GLU 642 Cb 1.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3d50 h GLU 642 CO 0.59 0.40 0.00 0.72 -0.73 0.00 0.00 179.01 179.99 3d50 n HIS 643 N -4.87 1.52 -4.55 0.92 8.25 -1.26 -4.88 115.22 110.35 3d50 n HIS 643 Ca 0.21 -0.78 -0.33 0.00 -0.26 0.00 0.00 57.72 56.56 3d50 n HIS 643 Cb 0.54 -0.40 -0.16 0.00 1.12 0.00 0.00 29.99 31.10 3d50 n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3d50 s THR 644 N -2.70 2.46 0.33 1.59 2.01 -1.12 -1.23 115.64 117.00 3d50 s THR 644 Ca 0.48 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.71 3d50 s THR 644 Cb 0.37 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 3d50 s THR 644 CO 0.13 0.53 0.42 -0.94 -0.69 0.00 0.00 174.62 174.07 3d50 s SER 645 N 0.84 5.78 -0.08 3.53 1.04 -0.51 -4.66 113.70 119.64 3d50 s SER 645 Ca -0.05 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.14 3d50 s SER 645 Cb -0.15 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.81 3d50 s SER 645 CO -0.01 -0.41 -0.21 -0.31 0.98 0.00 0.00 173.24 173.28 3d50 s TYR 646 N -2.21 2.27 0.48 5.02 1.51 -1.26 -0.63 117.35 122.53 3d50 s TYR 646 Ca 0.44 -0.88 -0.23 0.00 -1.01 0.00 0.00 57.07 55.39 3d50 s TYR 646 Cb -0.08 -1.54 -0.07 0.00 -0.11 0.00 0.00 41.96 40.16 3d50 s TYR 646 CO 0.30 -0.35 1.21 0.00 -1.11 0.00 0.00 175.55 175.59 3d50 s ALA 647 N 0.33 2.94 0.38 3.71 0.00 -0.65 -4.93 121.76 123.55 3d50 s ALA 647 Ca -0.16 1.02 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 3d50 s ALA 647 Cb -0.17 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 3d50 s ALA 647 CO 0.07 -0.81 0.72 -1.54 0.00 0.00 0.00 175.76 174.20 3d50 s SER 648 N -1.27 6.49 -0.02 0.00 1.04 -0.19 -4.88 113.70 114.87 3d50 s SER 648 Ca 0.65 1.03 0.02 0.00 0.48 0.00 0.00 55.95 58.13 3d50 s SER 648 Cb -0.31 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.54 3d50 s SER 648 CO 0.38 -0.36 -0.07 0.20 0.98 0.00 0.00 173.24 174.37 3d50 s ASN 649 N -3.20 1.00 -0.08 7.02 0.01 -1.26 -1.03 114.94 117.40 3d50 s ASN 649 Ca 0.49 -0.15 -0.01 0.00 -0.71 0.00 0.00 52.86 52.48 3d50 s ASN 649 Cb -0.10 -0.29 0.03 0.00 0.41 0.00 0.00 41.25 41.29 3d50 s ASN 649 CO 0.32 0.04 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.70 3d50 s LEU 650 N 0.29 0.81 -0.33 0.60 2.96 0.37 -0.80 118.68 122.58 3d50 s LEU 650 Ca -0.04 -0.14 -0.09 0.00 -0.22 0.00 0.00 54.13 53.63 3d50 s LEU 650 Cb -0.09 -0.55 0.01 0.00 0.50 0.00 0.00 46.19 46.07 3d50 s LEU 650 CO 0.00 -0.16 0.15 -0.22 -1.32 0.00 0.00 176.35 174.80 3d50 s LEU 651 N 1.81 4.24 -0.35 -0.68 1.98 0.04 -0.14 118.68 125.58 3d50 s LEU 651 Ca 0.03 -0.73 -0.13 0.00 -2.89 0.00 0.00 54.13 50.42 3d50 s LEU 651 Cb -0.13 -1.98 -0.01 0.00 0.66 0.00 0.00 46.19 44.74 3d50 s LEU 651 CO -0.05 -0.26 0.23 -0.76 -1.89 0.00 0.00 176.35 173.62 3d50 s LEU 652 N 1.56 4.58 -0.20 -0.68 1.43 0.72 -2.36 118.68 123.73 3d50 s LEU 652 Ca 0.03 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.26 3d50 s LEU 652 Cb -0.18 -2.11 0.15 0.00 0.03 0.00 0.00 46.19 44.08 3d50 s LEU 652 CO 0.05 -0.28 1.13 0.00 0.23 0.00 0.00 176.35 177.48 3d50 s ARG 653 N 1.68 0.41 0.46 1.70 1.70 -0.10 -1.95 118.95 122.85 3d50 s ARG 653 Ca 0.05 0.06 -0.21 0.00 -0.47 0.00 0.00 55.73 55.16 3d50 s ARG 653 Cb -0.18 0.19 -0.08 0.00 -0.57 0.00 0.00 34.95 34.31 3d50 s ARG 653 CO 0.09 -0.13 1.05 0.15 -1.08 0.00 0.00 175.30 175.38 3d50 s LYS 654 N -1.28 3.89 -0.98 3.89 1.02 -1.26 -4.12 119.74 120.90 3d50 s LYS 654 Ca 0.03 1.43 -0.10 0.00 0.02 0.00 0.00 55.97 57.35 3d50 s LYS 654 Cb -0.01 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 3d50 s LYS 654 CO -0.02 -0.36 0.78 0.09 -0.92 0.00 0.00 175.35 174.91 3d50 n ASN 655 N -0.68 -6.19 -4.81 2.83 3.02 -1.26 -4.95 115.26 103.22 3d50 n ASN 655 Ca 0.08 -0.71 -0.32 0.00 -0.03 0.00 0.00 54.58 53.60 3d50 n ASN 655 Cb 0.51 -4.05 0.02 0.00 -0.61 0.00 0.00 39.78 35.65 3d50 n ASN 655 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3d50 s PRO 656 N -4.76 3.29 0.22 3.52 0.04 -1.26 -5.07 135.00 130.99 3d50 s PRO 656 Ca 0.30 1.11 0.10 0.00 0.04 0.00 0.00 61.00 62.54 3d50 s PRO 656 Cb -0.08 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3d50 s PRO 656 CO 0.81 -0.83 -0.17 0.95 0.04 0.00 0.00 177.00 177.80 3d50 s THR 657 N -2.63 2.04 0.85 1.26 -4.23 -1.26 -5.14 115.64 106.53 3d50 s THR 657 Ca 0.62 -2.23 -0.13 0.00 -1.18 0.00 0.00 61.69 58.77 3d50 s THR 657 Cb -0.15 -2.11 0.08 0.00 1.34 0.00 0.00 72.50 71.66 3d50 s THR 657 CO 0.41 -0.46 0.98 -1.54 -0.54 0.00 0.00 174.62 173.47 3d50 n SER 658 N -0.33 0.09 -3.41 3.99 3.41 -1.26 -5.02 113.62 111.09 3d50 n SER 658 Ca -0.08 0.50 -0.27 0.00 -0.26 0.00 0.00 58.87 58.76 3d50 n SER 658 Cb 0.59 -1.42 -0.11 0.00 -0.26 0.00 0.00 64.21 63.02 3d50 n SER 658 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d50 s LEU 659 N -4.53 1.10 0.44 1.04 1.43 -1.26 -5.11 118.68 111.79 3d50 s LEU 659 Ca 0.68 -2.60 -0.22 0.00 -1.03 0.00 0.00 54.13 50.97 3d50 s LEU 659 Cb -0.27 -0.34 -0.09 0.00 0.03 0.00 0.00 46.19 45.52 3d50 s LEU 659 CO 0.56 -0.23 1.05 -2.16 0.23 0.00 0.00 176.35 175.79 3d50 s PRO 660 N 0.58 3.97 -0.30 1.29 0.04 -1.26 -4.59 135.00 134.74 3d50 s PRO 660 Ca 0.26 1.44 0.11 0.00 0.04 0.00 0.00 61.00 62.85 3d50 s PRO 660 Cb -0.09 -2.31 0.47 0.00 0.04 0.00 0.00 34.50 32.61 3d50 s PRO 660 CO -0.10 -0.30 1.15 1.28 0.04 0.00 0.00 177.00 179.08 3d50 n LEU 661 N -0.53 3.92 0.00 -3.56 4.77 -1.26 -4.70 117.00 115.64 3d50 n LEU 661 Ca 0.07 -4.30 0.00 0.00 -0.03 0.00 0.00 56.01 51.75 3d50 n LEU 661 Cb 0.51 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3d50 n LEU 661 CO 0.42 1.82 0.00 0.61 -1.33 0.00 0.00 177.39 178.91 3d50 n GLY 662 N -0.64 2.29 0.07 -0.72 0.00 -1.26 -1.29 105.19 103.64 3d50 n GLY 662 Ca 0.33 0.38 0.14 0.00 0.00 0.00 0.00 46.02 46.87 3d50 n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d50 n GLN 663 N 10.01 0.57 -1.67 1.61 6.02 -1.26 -4.95 117.38 127.71 3d50 n GLN 663 Ca 0.00 -0.14 -0.51 0.00 -0.01 0.00 0.00 57.00 56.33 3d50 n GLN 663 Cb 0.00 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.71 3d50 n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3d50 n TYR 664 N -1.09 2.05 1.29 1.08 9.36 -0.41 -4.81 117.16 124.62 3d50 n TYR 664 Ca 0.14 0.35 0.02 0.00 3.32 0.00 0.00 57.90 61.73 3d50 n TYR 664 Cb 0.27 -2.50 0.09 0.00 -0.63 0.00 0.00 39.34 36.57 3d50 n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d50 n PRO 665 N 4.66 0.64 -3.75 2.98 -0.04 -1.26 -4.71 135.00 133.52 3d50 n PRO 665 Ca 0.22 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.47 3d50 n PRO 665 Cb 0.22 -1.08 -0.17 0.00 -0.04 0.00 0.00 33.50 32.43 3d50 n PRO 665 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3d50 s GLU 666 N -2.00 0.24 0.33 0.54 2.56 -1.26 -5.13 118.70 113.98 3d50 s GLU 666 Ca 0.05 0.22 -0.28 0.00 0.00 0.00 0.00 54.97 54.96 3d50 s GLU 666 Cb 0.02 -0.67 -0.10 0.00 2.00 0.00 0.00 34.13 35.39 3d50 s GLU 666 CO 0.04 -0.28 1.18 -0.51 -0.56 0.00 0.00 175.26 175.12 3d50 s ASP 667 N 1.87 6.93 0.39 -1.70 1.01 -1.26 -4.93 116.67 118.99 3d50 s ASP 667 Ca 0.02 2.42 -0.26 0.00 0.71 0.00 0.00 52.55 55.44 3d50 s ASP 667 Cb -0.12 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.09 3d50 s ASP 667 CO -0.04 -0.39 1.19 -0.69 0.21 0.00 0.00 175.17 175.45 3d50 s VAL 668 N -1.22 3.07 0.25 -1.27 1.01 -1.26 -4.69 120.40 116.29 3d50 s VAL 668 Ca 0.49 0.92 0.08 0.00 0.00 0.00 0.00 61.98 63.47 3d50 s VAL 668 Cb -0.34 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3d50 s VAL 668 CO 0.44 0.10 0.14 -0.54 0.00 0.00 0.00 175.10 175.24 3d50 s LYS 669 N -2.25 2.74 0.11 2.72 -0.14 0.02 -4.98 119.74 117.96 3d50 s LYS 669 Ca 0.56 -1.15 0.05 0.00 -1.36 0.00 0.00 55.97 54.07 3d50 s LYS 669 Cb -0.32 -2.45 -0.04 0.00 -1.68 0.00 0.00 37.83 33.34 3d50 s LYS 669 CO 0.40 0.39 -0.13 -0.06 -0.76 0.00 0.00 175.35 175.20 3d50 s PHE 670 N -2.17 1.27 0.09 3.18 0.40 -1.26 -0.78 117.98 118.71 3d50 s PHE 670 Ca 0.32 -0.56 -0.26 0.00 -0.60 0.00 0.00 56.93 55.83 3d50 s PHE 670 Cb -0.08 -0.68 0.08 0.00 0.51 0.00 0.00 43.02 42.85 3d50 s PHE 670 CO 0.23 0.09 0.84 0.20 0.70 0.00 0.00 175.22 177.28 3d50 s GLY 671 N -2.32 -0.41 0.67 4.36 0.00 -1.00 -4.92 107.32 103.70 3d50 s GLY 671 Ca 0.06 0.60 -0.13 0.00 0.00 0.00 0.00 44.72 45.25 3d50 s GLY 671 CO 0.02 0.19 1.07 0.99 0.00 0.00 0.00 173.10 175.37 3d50 s ASP 672 N -2.68 5.34 0.27 1.64 1.01 -1.26 -0.93 116.67 120.07 3d50 s ASP 672 Ca 0.06 1.78 -0.30 0.00 0.71 0.00 0.00 52.55 54.81 3d50 s ASP 672 Cb -0.01 -2.52 -0.13 0.00 1.01 0.00 0.00 42.92 41.26 3d50 s ASP 672 CO -0.06 -1.47 1.28 -2.65 0.21 0.00 0.00 175.17 172.48 3d50 n PRO 673 N -2.69 1.86 -3.44 8.23 -0.02 -1.26 -4.65 135.00 133.03 3d50 n PRO 673 Ca 0.09 0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 62.10 3d50 n PRO 673 Cb 0.53 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3d50 n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3d50 s ARG 674 N -1.06 1.22 0.37 -0.52 1.70 -1.26 -4.98 118.95 114.41 3d50 s ARG 674 Ca 0.63 -0.39 -0.28 0.00 -0.47 0.00 0.00 55.73 55.22 3d50 s ARG 674 Cb -0.65 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.20 3d50 s ARG 674 CO 0.56 -0.52 1.32 -1.21 -1.08 0.00 0.00 175.30 174.37 3d50 s GLU 675 N -3.47 4.18 0.17 3.89 2.02 -1.26 -4.13 118.70 120.09 3d50 s GLU 675 Ca 0.00 2.23 0.03 0.00 0.02 0.00 0.00 54.97 57.25 3d50 s GLU 675 Cb -0.01 -2.93 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 3d50 s GLU 675 CO -0.11 -0.34 -0.05 0.96 0.02 0.00 0.00 175.26 175.74 3d50 s ILE 676 N -1.19 0.98 0.03 -1.63 -4.36 -0.85 -4.97 121.20 109.21 3d50 s ILE 676 Ca 0.52 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 3d50 s ILE 676 Cb -0.40 -2.03 -0.02 0.00 1.25 0.00 0.00 42.46 41.26 3d50 s ILE 676 CO 0.52 -0.58 -0.05 -0.94 0.24 0.00 0.00 174.94 174.14 3d50 s SER 677 N -3.20 0.48 0.00 4.36 1.04 -1.26 -0.63 113.70 114.49 3d50 s SER 677 Ca 0.21 -0.56 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 3d50 s SER 677 Cb 0.04 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.25 3d50 s SER 677 CO 0.03 -0.29 0.07 -0.76 0.98 0.00 0.00 173.24 173.26 3d50 s LEU 678 N -1.64 1.82 -0.13 2.42 1.43 -0.07 -4.96 118.68 117.55 3d50 s LEU 678 Ca -0.12 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3d50 s LEU 678 Cb -0.08 0.39 0.07 0.00 0.03 0.00 0.00 46.19 46.59 3d50 s LEU 678 CO -0.01 -0.27 0.21 -0.60 0.23 0.00 0.00 176.35 175.91 3d50 s ARG 679 N -1.09 0.12 -0.14 1.70 3.52 -1.26 -0.49 118.95 121.31 3d50 s ARG 679 Ca -0.12 0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 55.96 3d50 s ARG 679 Cb -0.07 -0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 32.84 3d50 s ARG 679 CO 0.00 -0.39 0.05 0.08 -0.81 0.00 0.00 175.30 174.23 3d50 s VAL 680 N 2.35 4.74 0.00 7.11 1.01 -1.26 -4.99 120.40 129.36 3d50 s VAL 680 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3d50 s VAL 680 Cb -0.13 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3d50 s VAL 680 CO -0.08 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3d50 n GLY 681 N 2.85 2.46 0.38 4.51 0.00 -1.26 -1.09 105.19 113.04 3d50 n GLY 681 Ca -0.18 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.74 3d50 n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d50 n ASN 682 N 0.64 1.19 -2.88 1.61 3.02 -1.26 -4.98 115.26 112.60 3d50 n ASN 682 Ca 0.00 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 3d50 n ASN 682 Cb 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3d50 n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d50 n GLY 683 N 1.13 -3.34 3.70 7.41 0.00 -0.25 -4.97 105.19 108.87 3d50 n GLY 683 Ca 0.19 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 3d50 n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d50 s PRO 684 N -2.93 0.88 -0.18 1.61 0.04 -1.26 -4.80 135.00 128.37 3d50 s PRO 684 Ca 0.00 0.66 -0.05 0.00 0.04 0.00 0.00 61.00 61.65 3d50 s PRO 684 Cb 0.00 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 3d50 s PRO 684 CO 0.00 -2.46 0.00 0.99 0.04 0.00 0.00 177.00 175.58 3d50 s THR 685 N -2.96 4.18 -0.07 1.26 2.01 0.09 -4.27 115.64 115.87 3d50 s THR 685 Ca 0.64 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.43 3d50 s THR 685 Cb -0.18 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 3d50 s THR 685 CO 0.57 0.46 -0.20 -0.76 -0.69 0.00 0.00 174.62 174.01 3d50 s LEU 686 N 0.54 2.38 0.03 4.42 1.43 0.36 -0.65 118.68 127.19 3d50 s LEU 686 Ca -0.01 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 3d50 s LEU 686 Cb -0.14 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3d50 s LEU 686 CO 0.02 0.25 -0.12 0.00 0.23 0.00 0.00 176.35 176.73 3d50 s ALA 687 N -0.16 2.83 0.00 4.21 0.00 -0.40 -0.89 121.76 127.35 3d50 s ALA 687 Ca -0.02 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.88 3d50 s ALA 687 Cb -0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 3d50 s ALA 687 CO 0.04 0.60 -0.17 -0.06 0.00 0.00 0.00 175.76 176.17 3d50 s PHE 688 N -0.98 1.49 1.01 0.00 0.40 0.20 0.18 117.98 120.28 3d50 s PHE 688 Ca 0.16 -0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 56.07 3d50 s PHE 688 Cb -0.11 -0.94 0.19 0.00 0.51 0.00 0.00 43.02 42.67 3d50 s PHE 688 CO 0.07 -0.00 1.08 -1.54 0.70 0.00 0.00 175.22 175.53 3d50 s SER 689 N -0.60 2.48 0.01 1.36 1.04 0.21 -2.00 113.70 116.19 3d50 s SER 689 Ca 0.06 1.35 0.14 0.00 0.48 0.00 0.00 55.95 57.97 3d50 s SER 689 Cb -0.07 -2.03 0.58 0.00 0.10 0.00 0.00 66.02 64.60 3d50 s SER 689 CO -0.00 -3.24 1.44 -1.84 0.98 0.00 0.00 173.24 170.57 3d50 n GLU 690 N -4.27 0.00 -0.32 4.02 0.28 -1.26 -1.23 120.64 117.86 3d50 n GLU 690 Ca 0.05 0.27 0.08 0.00 -0.16 0.00 0.00 57.16 57.40 3d50 n GLU 690 Cb 0.56 -1.51 0.24 0.00 1.43 0.00 0.00 31.44 32.16 3d50 n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3d50 n GLN 691 N -1.52 2.45 -1.00 3.44 6.02 -1.26 -4.33 117.38 121.17 3d50 n GLN 691 Ca 0.03 -1.91 0.00 0.00 -0.01 0.00 0.00 57.00 55.11 3d50 n GLN 691 Cb 0.16 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.91 3d50 n GLN 691 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d50 n GLY 692 N 1.17 0.43 3.56 1.08 0.00 -0.37 -4.89 105.19 106.17 3d50 n GLY 692 Ca 0.18 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 3d50 n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d50 s LEU 693 N 0.00 3.04 0.32 0.99 1.43 -1.26 -4.71 118.68 118.50 3d50 s LEU 693 Ca 0.00 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 52.68 3d50 s LEU 693 Cb 0.00 -1.71 -0.13 0.00 0.03 0.00 0.00 46.19 44.39 3d50 s LEU 693 CO 0.00 0.32 1.27 -0.11 0.23 0.00 0.00 176.35 178.05 3d50 n LEU 694 N 1.89 3.29 -0.00 1.79 7.94 -1.26 -0.62 117.00 130.02 3d50 n LEU 694 Ca -0.17 1.20 -0.00 0.00 -1.11 0.00 0.00 56.01 55.93 3d50 n LEU 694 Cb 0.53 -1.45 -0.00 0.00 0.53 0.00 0.00 43.42 43.02 3d50 n LEU 694 CO 0.28 -0.60 -0.51 0.29 -1.11 0.00 0.00 177.39 175.74 3d50 n LYS 695 N 0.73 3.64 -3.48 1.96 5.02 0.13 -1.97 118.16 124.19 3d50 n LYS 695 Ca 0.06 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 3d50 n LYS 695 Cb 0.35 -1.01 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 3d50 n LYS 695 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3d50 s SER 696 N -3.13 -0.50 -0.06 4.39 1.04 -1.05 -1.36 113.70 113.03 3d50 s SER 696 Ca -0.00 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.60 3d50 s SER 696 Cb 0.00 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.62 3d50 s SER 696 CO 0.02 -0.75 -0.14 -0.63 0.98 0.00 0.00 173.24 172.72 3d50 s ILE 697 N -2.93 1.25 -0.24 -1.02 1.01 -0.44 -1.28 121.20 117.55 3d50 s ILE 697 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3d50 s ILE 697 Cb -0.01 -1.11 0.04 0.00 0.01 0.00 0.00 42.46 41.39 3d50 s ILE 697 CO -0.07 0.38 -0.11 -1.58 0.00 0.00 0.00 174.94 173.56 3d50 s GLN 698 N 0.43 2.62 0.12 2.79 0.74 0.18 -0.88 119.66 125.65 3d50 s GLN 698 Ca -0.11 -1.10 -0.14 0.00 0.05 0.00 0.00 55.36 54.05 3d50 s GLN 698 Cb -0.14 -2.86 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 3d50 s GLN 698 CO 0.03 -0.43 1.54 -0.07 -0.55 0.00 0.00 175.29 175.81 3d50 h LEU 699 N 7.90 0.75 -8.41 3.68 3.38 -1.86 0.30 115.31 121.05 3d50 h LEU 699 Ca -0.30 -0.35 -0.18 0.00 0.09 0.00 0.00 57.88 57.14 3d50 h LEU 699 Cb 1.09 -0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.48 3d50 h LEU 699 CO 0.54 0.92 -0.66 0.42 0.09 0.00 0.00 178.44 179.76 3d50 s THR 700 N -4.84 0.18 0.21 0.22 -4.23 -1.26 -4.29 115.64 101.63 3d50 s THR 700 Ca -0.13 -1.90 -0.20 0.00 -1.18 0.00 0.00 61.69 58.29 3d50 s THR 700 Cb 0.10 -1.94 0.17 0.00 1.34 0.00 0.00 72.50 72.18 3d50 s THR 700 CO 0.81 -0.58 1.56 1.56 -0.54 0.00 0.00 174.62 177.43 3d50 h GLN 701 N 2.91 -0.07 0.00 3.99 1.08 -1.93 -2.51 115.11 118.59 3d50 h GLN 701 Ca -0.35 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.67 3d50 h GLN 701 Cb 1.19 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.61 3d50 h GLN 701 CO 0.61 -0.04 -0.86 0.38 -0.95 0.00 0.00 178.83 177.96 3d50 h ASP 702 N -0.07 0.00 -4.15 1.46 2.03 -1.99 -3.48 116.42 110.23 3d50 h ASP 702 Ca 0.29 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 56.09 3d50 h ASP 702 Cb 0.57 0.00 0.17 0.00 -0.83 0.00 0.00 39.33 39.24 3d50 h ASP 702 CO -0.87 0.86 0.24 -0.94 -1.03 0.00 0.00 179.24 177.50 3d50 s SER 703 N -6.75 3.33 0.80 4.15 1.04 -0.95 -5.01 113.70 110.32 3d50 s SER 703 Ca 0.00 1.88 -0.12 0.00 0.48 0.00 0.00 55.95 58.20 3d50 s SER 703 Cb 0.11 -2.46 0.08 0.00 0.10 0.00 0.00 66.02 63.85 3d50 s SER 703 CO 0.80 -2.79 1.13 -2.84 0.98 0.00 0.00 173.24 170.52 3d50 s PRO 704 N -4.76 1.84 -0.67 4.02 0.02 -1.26 -4.78 135.00 129.41 3d50 s PRO 704 Ca 0.64 1.43 -0.23 0.00 0.02 0.00 0.00 61.00 62.86 3d50 s PRO 704 Cb -0.20 -1.83 0.07 0.00 0.02 0.00 0.00 34.50 32.55 3d50 s PRO 704 CO 0.58 -1.99 0.99 -1.01 -0.33 0.00 0.00 177.00 175.23 3d50 s HIS 705 N -2.60 2.64 -0.19 6.54 3.76 -1.26 -4.27 115.29 119.91 3d50 s HIS 705 Ca 0.66 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.77 3d50 s HIS 705 Cb -0.21 -4.32 -0.00 0.00 1.11 0.00 0.00 32.58 29.15 3d50 s HIS 705 CO 0.53 -1.69 1.13 0.08 -0.85 0.00 0.00 174.74 173.95 3d50 s VAL 706 N 4.20 4.51 0.08 -0.90 1.01 -0.06 -4.81 120.40 124.44 3d50 s VAL 706 Ca 0.23 1.82 -0.31 0.00 0.00 0.00 0.00 61.98 63.73 3d50 s VAL 706 Cb -0.16 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 31.94 3d50 s VAL 706 CO 0.11 -0.14 1.90 -2.65 0.00 0.00 0.00 175.10 174.31 3d50 n PRO 707 N 6.30 2.82 -3.44 2.72 -0.02 -1.26 -1.33 135.00 140.79 3d50 n PRO 707 Ca 0.12 1.03 -0.19 0.00 -2.02 0.00 0.00 63.50 62.45 3d50 n PRO 707 Cb 0.46 -2.95 -0.11 0.00 -0.02 0.00 0.00 33.50 30.88 3d50 n PRO 707 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d50 s VAL 708 N 3.46 -0.35 -0.18 -1.45 1.01 -0.46 -4.18 120.40 118.25 3d50 s VAL 708 Ca 0.85 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 3d50 s VAL 708 Cb -0.47 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 3d50 s VAL 708 CO 0.40 -0.41 -0.11 -2.28 0.00 0.00 0.00 175.10 172.69 3d50 s HIS 709 N 2.33 2.86 0.26 5.22 5.04 -0.38 -2.87 115.29 127.75 3d50 s HIS 709 Ca 0.09 -1.06 -0.29 0.00 -1.54 0.00 0.00 55.06 52.25 3d50 s HIS 709 Cb -0.15 -1.98 -0.09 0.00 0.04 0.00 0.00 32.58 30.40 3d50 s HIS 709 CO -0.27 -0.53 0.97 -0.06 -2.34 0.00 0.00 174.74 172.51 3d50 s PHE 710 N 1.12 3.88 -0.08 3.88 0.08 -0.83 -0.73 117.98 125.30 3d50 s PHE 710 Ca 0.01 1.87 -0.12 0.00 0.12 0.00 0.00 56.93 58.80 3d50 s PHE 710 Cb -0.14 -3.03 0.03 0.00 -0.57 0.00 0.00 43.02 39.31 3d50 s PHE 710 CO -0.03 0.25 0.31 0.21 -0.10 0.00 0.00 175.22 175.86 3d50 s LYS 711 N -1.34 0.47 -0.15 0.44 2.20 -0.27 -4.75 119.74 116.34 3d50 s LYS 711 Ca 0.43 0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 56.22 3d50 s LYS 711 Cb -0.26 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.25 3d50 s LYS 711 CO 0.33 -0.09 -0.04 -0.06 -0.36 0.00 0.00 175.35 175.13 3d50 s PHE 712 N -0.35 3.02 0.29 4.03 0.40 -1.26 -0.65 117.98 123.45 3d50 s PHE 712 Ca -0.05 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 3d50 s PHE 712 Cb -0.03 -1.95 -0.06 0.00 0.51 0.00 0.00 43.02 41.49 3d50 s PHE 712 CO 0.02 -0.02 0.07 -0.51 0.70 0.00 0.00 175.22 175.47 3d50 s LEU 713 N 0.31 1.97 0.01 -0.37 1.02 -0.36 -1.41 118.68 119.84 3d50 s LEU 713 Ca -0.04 -1.37 0.05 0.00 0.02 0.00 0.00 54.13 52.79 3d50 s LEU 713 Cb -0.14 -0.22 -0.01 0.00 0.02 0.00 0.00 46.19 45.84 3d50 s LEU 713 CO 0.03 -0.65 -0.14 -1.59 0.02 0.00 0.00 176.35 174.02 3d50 s LYS 714 N -3.94 1.07 0.03 1.70 -2.85 0.11 -0.93 119.74 114.92 3d50 s LYS 714 Ca 0.36 -0.59 -0.01 0.00 -1.00 0.00 0.00 55.97 54.73 3d50 s LYS 714 Cb 0.08 -1.05 -0.04 0.00 -2.06 0.00 0.00 37.83 34.76 3d50 s LYS 714 CO 0.14 0.28 0.19 0.71 0.10 0.00 0.00 175.35 176.77 3d50 s TYR 715 N -0.50 3.51 0.00 1.78 2.02 0.27 -1.27 117.35 123.15 3d50 s TYR 715 Ca 0.04 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 3d50 s TYR 715 Cb -0.06 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 3d50 s TYR 715 CO 0.00 0.61 0.00 0.41 -1.57 0.00 0.00 175.55 175.00 3d50 n GLY 716 N 0.64 3.93 3.32 0.71 0.00 -1.26 -1.07 105.19 111.46 3d50 n GLY 716 Ca -0.08 -2.06 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 3d50 n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d50 s VAL 717 N 1.31 1.88 0.30 1.61 1.01 -1.25 -3.35 120.40 121.90 3d50 s VAL 717 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.02 3d50 s VAL 717 Cb 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 36.38 34.56 3d50 s VAL 717 CO 0.00 -0.06 1.23 -0.13 0.00 0.00 0.00 175.10 176.14 3d50 s ARG 718 N -2.10 4.47 0.10 2.72 0.52 -1.25 -4.59 118.95 118.82 3d50 s ARG 718 Ca 0.10 2.04 0.10 0.00 -0.52 0.00 0.00 55.73 57.45 3d50 s ARG 718 Cb -0.09 -3.13 -0.17 0.00 0.52 0.00 0.00 34.95 32.07 3d50 s ARG 718 CO 0.05 -0.04 1.12 0.66 0.02 0.00 0.00 175.30 177.11 3d50 h SER 719 N 3.79 0.00 -2.50 0.23 4.64 -1.98 -3.45 113.55 114.28 3d50 h SER 719 Ca -0.48 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.29 3d50 h SER 719 Cb 1.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.17 3d50 h SER 719 CO 0.67 0.90 -0.71 -1.38 -0.87 0.00 0.00 176.83 175.45 3d50 s HIS 720 N -2.73 2.13 0.00 4.77 0.00 -1.26 -5.06 115.29 113.14 3d50 s HIS 720 Ca -0.00 -0.53 0.00 0.00 -3.00 0.00 0.00 55.06 51.53 3d50 s HIS 720 Cb 0.09 -1.12 0.00 0.00 -4.00 0.00 0.00 32.58 27.55 3d50 s HIS 720 CO 0.81 0.49 0.00 0.41 -1.00 0.00 0.00 174.74 175.45 3d50 n GLY 721 N -0.62 -1.40 3.77 -1.38 0.00 -1.26 -4.91 105.19 99.38 3d50 n GLY 721 Ca -0.06 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 3d50 n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d50 s ASP 722 N -4.00 6.96 -0.13 1.61 1.01 -1.26 -5.00 116.67 115.87 3d50 s ASP 722 Ca 0.00 2.23 -0.06 0.00 0.71 0.00 0.00 52.55 55.44 3d50 s ASP 722 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3d50 s ASP 722 CO 0.00 -0.36 0.08 -0.13 0.21 0.00 0.00 175.17 174.98 3d50 s ARG 723 N -1.92 3.49 0.57 8.23 1.81 -1.26 -4.54 118.95 125.33 3d50 s ARG 723 Ca 0.51 -0.26 -0.20 0.00 -1.72 0.00 0.00 55.73 54.06 3d50 s ARG 723 Cb -0.29 -3.10 -0.05 0.00 -0.45 0.00 0.00 34.95 31.06 3d50 s ARG 723 CO 0.37 0.61 1.09 0.43 -0.68 0.00 0.00 175.30 177.12 3d50 n SER 724 N 2.49 1.37 -0.07 0.23 7.64 -1.26 -4.52 113.62 119.49 3d50 n SER 724 Ca -0.19 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.57 3d50 n SER 724 Cb 0.54 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 3d50 n SER 724 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d50 n GLY 725 N 1.13 3.87 0.30 0.23 0.00 -0.68 -4.60 105.19 105.43 3d50 n GLY 725 Ca 0.13 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.21 3d50 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d50 h ALA 726 N 1.57 2.02 0.00 4.61 0.00 -1.85 -3.25 119.26 122.36 3d50 h ALA 726 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 3d50 h ALA 726 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3d50 h ALA 726 CO 0.00 -0.16 -2.31 0.66 0.00 0.00 0.00 179.25 177.43 3d50 n TYR 727 N -4.34 0.10 -3.18 0.00 4.02 -1.26 -2.83 117.16 109.67 3d50 n TYR 727 Ca 0.00 0.04 -0.39 0.00 -0.01 0.00 0.00 57.90 57.54 3d50 n TYR 727 Cb 0.22 -0.97 -0.05 0.00 -0.02 0.00 0.00 39.34 38.52 3d50 n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3d50 s LEU 728 N -7.58 4.39 -0.36 7.72 1.43 -1.23 -0.50 118.68 122.55 3d50 s LEU 728 Ca -0.37 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.77 3d50 s LEU 728 Cb 0.13 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.43 3d50 s LEU 728 CO 0.49 0.06 0.20 0.12 0.23 0.00 0.00 176.35 177.45 3d50 s PHE 729 N 0.02 3.23 -0.53 0.29 5.36 -1.19 -1.69 117.98 123.46 3d50 s PHE 729 Ca 0.32 -0.82 0.06 0.00 -0.96 0.00 0.00 56.93 55.53 3d50 s PHE 729 Cb -0.18 -2.43 0.23 0.00 -0.34 0.00 0.00 43.02 40.30 3d50 s PHE 729 CO 0.17 -0.59 0.57 1.28 -1.46 0.00 0.00 175.22 175.19 3d50 n LEU 730 N 5.01 1.80 -4.78 6.12 4.77 -1.26 -4.69 117.00 123.96 3d50 n LEU 730 Ca -0.12 -4.99 -0.34 0.00 -0.03 0.00 0.00 56.01 50.53 3d50 n LEU 730 Cb 0.47 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.52 3d50 n LEU 730 CO 0.36 1.99 0.74 -2.16 -1.33 0.00 0.00 177.39 176.99 3d50 s PRO 731 N -1.50 3.13 -0.88 3.23 0.04 -1.26 -3.86 135.00 133.89 3d50 s PRO 731 Ca 0.35 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 3d50 s PRO 731 Cb 0.11 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.69 3d50 s PRO 731 CO -0.10 -0.99 2.73 0.27 0.04 0.00 0.00 177.00 178.95 3d50 n ASN 732 N -1.94 7.22 0.00 6.66 6.94 -1.21 -4.75 115.26 128.17 3d50 n ASN 732 Ca 0.10 -3.04 0.00 0.00 -0.02 0.00 0.00 54.58 51.62 3d50 n ASN 732 Cb 0.52 -1.34 0.00 0.00 -2.36 0.00 0.00 39.78 36.60 3d50 n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d50 n GLY 733 N 1.66 1.30 3.49 4.83 0.00 -1.26 -4.84 105.19 110.37 3d50 n GLY 733 Ca 0.57 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 3d50 n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d50 n PRO 734 N 0.20 0.18 -1.70 1.61 -0.02 -1.26 -4.82 135.00 129.19 3d50 n PRO 734 Ca 0.00 0.11 -0.34 0.00 -2.02 0.00 0.00 63.50 61.25 3d50 n PRO 734 Cb 0.00 -1.92 0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3d50 n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d50 s ALA 735 N -2.02 2.36 0.06 3.55 0.00 -1.26 -4.92 121.76 119.51 3d50 s ALA 735 Ca 0.65 0.77 0.08 0.00 0.00 0.00 0.00 51.96 53.46 3d50 s ALA 735 Cb -0.31 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 3d50 s ALA 735 CO 0.59 -1.46 -0.18 -1.12 0.00 0.00 0.00 175.76 173.58 3d50 s SER 736 N -2.15 3.79 0.26 0.00 0.01 -0.40 -4.86 113.70 110.35 3d50 s SER 736 Ca 0.72 -0.46 -0.31 0.00 1.31 0.00 0.00 55.95 57.21 3d50 s SER 736 Cb -0.26 -0.58 -0.11 0.00 0.21 0.00 0.00 66.02 65.28 3d50 s SER 736 CO 0.41 0.24 1.64 -2.84 0.41 0.00 0.00 173.24 173.09 3d50 s PRO 737 N -1.59 4.13 0.13 12.44 0.02 -1.26 -0.72 135.00 148.15 3d50 s PRO 737 Ca 0.15 2.58 -0.32 0.00 0.02 0.00 0.00 61.00 63.43 3d50 s PRO 737 Cb -0.10 -3.05 -0.12 0.00 0.02 0.00 0.00 34.50 31.25 3d50 s PRO 737 CO 0.06 -0.67 1.76 0.28 -0.33 0.00 0.00 177.00 178.10 3d50 n VAL 738 N 2.88 0.22 -2.36 3.83 0.31 -0.50 -4.80 118.33 117.90 3d50 n VAL 738 Ca 0.11 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.97 3d50 n VAL 738 Cb 0.37 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.34 3d50 n VAL 738 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3d50 s GLU 739 N 2.11 4.09 0.12 5.55 2.02 -1.26 -4.91 118.70 126.42 3d50 s GLU 739 Ca 0.81 1.58 0.20 0.00 0.02 0.00 0.00 54.97 57.58 3d50 s GLU 739 Cb -0.55 -3.84 -0.09 0.00 0.10 0.00 0.00 34.13 29.75 3d50 s GLU 739 CO 0.38 -0.90 0.89 1.28 0.02 0.00 0.00 175.26 176.92 3d50 n LEU 740 N 7.14 0.77 0.00 1.80 4.77 -1.26 -4.80 117.00 125.43 3d50 n LEU 740 Ca 0.15 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3d50 n LEU 740 Cb 0.45 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3d50 n LEU 740 CO 0.59 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3d50 n GLY 741 N 1.29 1.87 2.83 -0.72 0.00 -1.26 -3.70 105.19 105.50 3d50 n GLY 741 Ca -0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 3d50 n GLY 741 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3d50 n GLN 742 N 13.10 2.17 -1.63 1.61 7.27 -1.26 -5.10 117.38 133.54 3d50 n GLN 742 Ca 0.00 -4.54 -0.34 0.00 0.07 0.00 0.00 57.00 52.19 3d50 n GLN 742 Cb 0.00 -2.31 0.07 0.00 2.41 0.00 0.00 30.24 30.41 3d50 n GLN 742 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3d50 s PRO 743 N -1.72 2.50 -0.06 3.69 0.04 -1.24 -4.94 135.00 133.27 3d50 s PRO 743 Ca 0.29 1.61 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 3d50 s PRO 743 Cb -0.00 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 3d50 s PRO 743 CO -0.12 -1.52 0.74 0.08 0.04 0.00 0.00 177.00 176.22 3d50 s VAL 744 N -2.09 5.02 -0.14 -0.36 1.01 -1.26 -4.86 120.40 117.71 3d50 s VAL 744 Ca 0.72 1.54 -0.00 0.00 0.00 0.00 0.00 61.98 64.23 3d50 s VAL 744 Cb -0.26 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 3d50 s VAL 744 CO 0.42 0.23 -0.14 -0.69 0.00 0.00 0.00 175.10 174.92 3d50 s VAL 745 N 0.90 2.88 -0.20 2.92 1.01 -0.82 -2.27 120.40 124.81 3d50 s VAL 745 Ca 0.40 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3d50 s VAL 745 Cb -0.18 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3d50 s VAL 745 CO 0.19 0.51 -0.02 -0.22 0.00 0.00 0.00 175.10 175.56 3d50 s LEU 746 N 0.61 3.10 -0.22 3.92 2.96 0.82 -0.20 118.68 129.66 3d50 s LEU 746 Ca -0.08 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3d50 s LEU 746 Cb -0.16 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3d50 s LEU 746 CO 0.03 0.05 0.01 -0.69 -1.32 0.00 0.00 176.35 174.43 3d50 s VAL 747 N 1.09 3.90 -0.15 1.68 1.01 0.80 -0.67 120.40 128.06 3d50 s VAL 747 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3d50 s VAL 747 Cb -0.14 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 3d50 s VAL 747 CO 0.01 0.39 -0.15 -0.89 0.00 0.00 0.00 175.10 174.46 3d50 s THR 748 N 1.37 2.72 -0.19 3.92 2.01 -0.16 -0.48 115.64 124.84 3d50 s THR 748 Ca 0.05 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.30 3d50 s THR 748 Cb -0.15 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.24 3d50 s THR 748 CO 0.01 0.51 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.52 3d50 s LYS 749 N 0.76 2.80 0.24 4.92 2.20 -0.19 -0.42 119.74 130.05 3d50 s LYS 749 Ca -0.06 -0.87 0.02 0.00 -0.36 0.00 0.00 55.97 54.71 3d50 s LYS 749 Cb -0.15 -2.56 -0.05 0.00 -1.51 0.00 0.00 37.83 33.56 3d50 s LYS 749 CO 0.01 -0.26 0.04 0.20 -0.36 0.00 0.00 175.35 174.97 3d50 s GLY 750 N 1.29 1.59 0.20 5.54 0.00 -1.00 -1.03 107.32 113.91 3d50 s GLY 750 Ca 0.03 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.97 3d50 s GLY 750 CO -0.12 -1.62 1.49 1.70 0.00 0.00 0.00 173.10 174.56 3d50 h LYS 751 N 2.46 0.37 0.01 2.90 3.64 -1.97 -3.33 116.57 120.66 3d50 h LYS 751 Ca -0.38 -0.27 -0.36 0.00 -1.27 0.00 0.00 60.65 58.37 3d50 h LYS 751 Cb 1.23 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 3d50 h LYS 751 CO 0.63 0.89 -2.23 1.28 -2.27 0.00 0.00 179.45 177.76 3d50 n LEU 752 N -3.88 0.98 -3.69 5.20 4.77 -1.26 -4.44 117.00 114.68 3d50 n LEU 752 Ca -0.03 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 3d50 n LEU 752 Cb 0.65 0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.66 3d50 n LEU 752 CO 0.46 0.59 0.03 -0.70 -1.33 0.00 0.00 177.39 176.44 3d50 s GLU 753 N -2.52 0.36 0.27 3.23 2.12 -1.25 -4.50 118.70 116.40 3d50 s GLU 753 Ca -0.15 0.79 0.08 0.00 0.36 0.00 0.00 54.97 56.06 3d50 s GLU 753 Cb 0.07 0.01 -0.05 0.00 0.26 0.00 0.00 34.13 34.42 3d50 s GLU 753 CO 0.78 -0.17 -0.11 -1.12 -0.54 0.00 0.00 175.26 174.09 3d50 s SER 754 N 1.57 2.99 0.10 -1.70 0.01 -0.44 -2.39 113.70 113.84 3d50 s SER 754 Ca -0.08 -1.12 -0.21 0.00 1.31 0.00 0.00 55.95 55.85 3d50 s SER 754 Cb -0.09 -0.21 0.05 0.00 0.21 0.00 0.00 66.02 65.99 3d50 s SER 754 CO -0.12 -0.21 0.52 -0.94 0.41 0.00 0.00 173.24 172.90 3d50 s SER 755 N -3.44 -0.44 -0.13 2.44 1.04 0.44 -0.62 113.70 112.99 3d50 s SER 755 Ca 0.28 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.76 3d50 s SER 755 Cb 0.01 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.67 3d50 s SER 755 CO 0.12 -0.82 -0.18 -0.69 0.98 0.00 0.00 173.24 172.64 3d50 s VAL 756 N -3.12 1.76 -0.02 5.02 1.01 -0.34 -0.99 120.40 123.72 3d50 s VAL 756 Ca -0.02 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3d50 s VAL 756 Cb -0.00 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3d50 s VAL 756 CO -0.07 0.49 -0.23 -0.44 0.00 0.00 0.00 175.10 174.85 3d50 s SER 757 N 0.98 2.71 -0.02 3.32 0.01 0.15 -0.88 113.70 119.98 3d50 s SER 757 Ca -0.05 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.79 3d50 s SER 757 Cb -0.15 -0.38 0.01 0.00 0.21 0.00 0.00 66.02 65.71 3d50 s SER 757 CO -0.03 0.27 -0.02 0.54 0.41 0.00 0.00 173.24 174.41 3d50 s VAL 758 N -0.46 0.25 -0.65 3.43 0.11 0.03 -0.13 120.40 122.99 3d50 s VAL 758 Ca 0.07 -0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 3d50 s VAL 758 Cb -0.10 -0.27 0.08 0.00 -1.53 0.00 0.00 36.38 34.57 3d50 s VAL 758 CO -0.00 0.11 0.89 -0.83 -3.33 0.00 0.00 175.10 171.94 3d50 s GLY 759 N 0.38 1.50 0.22 6.54 0.00 -0.96 -1.57 107.32 113.44 3d50 s GLY 759 Ca -0.04 -1.98 0.06 0.00 0.00 0.00 0.00 44.72 42.76 3d50 s GLY 759 CO -0.01 1.92 0.23 1.08 0.00 0.00 0.00 173.10 176.32 3d50 s LEU 760 N 3.63 3.96 0.12 0.66 1.43 -0.17 -4.32 118.68 123.99 3d50 s LEU 760 Ca 0.19 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 3d50 s LEU 760 Cb -0.19 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.41 3d50 s LEU 760 CO 0.09 -0.01 1.78 -2.84 0.23 0.00 0.00 176.35 175.59 3d50 s PRO 761 N -3.66 4.15 0.00 1.29 0.02 -1.26 -1.86 135.00 133.68 3d50 s PRO 761 Ca 0.33 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.89 3d50 s PRO 761 Cb -0.09 -3.55 0.00 0.00 0.02 0.00 0.00 34.50 30.89 3d50 s PRO 761 CO 0.26 -0.81 0.00 0.43 -0.33 0.00 0.00 177.00 176.55 3d50 n SER 762 N 5.49 0.00 -3.70 2.53 7.64 -1.26 -4.97 113.62 119.36 3d50 n SER 762 Ca 0.17 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.93 3d50 n SER 762 Cb 0.38 -0.33 -0.12 0.00 -1.01 0.00 0.00 64.21 63.14 3d50 n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3d50 s VAL 763 N -2.87 -0.21 -0.40 0.44 1.01 -0.78 -0.44 120.40 117.16 3d50 s VAL 763 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 3d50 s VAL 763 Cb 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.92 3d50 s VAL 763 CO 0.00 0.07 0.46 -0.69 0.00 0.00 0.00 175.10 174.94 3d50 s VAL 764 N 1.77 5.06 -0.22 2.92 1.01 -0.25 -1.00 120.40 129.69 3d50 s VAL 764 Ca -0.05 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 3d50 s VAL 764 Cb -0.11 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3d50 s VAL 764 CO -0.10 -0.37 0.11 -2.28 0.00 0.00 0.00 175.10 172.46 3d50 s HIS 765 N 2.23 3.27 -0.02 5.22 5.04 -0.61 -0.43 115.29 130.00 3d50 s HIS 765 Ca 0.14 0.10 0.02 0.00 -1.54 0.00 0.00 55.06 53.78 3d50 s HIS 765 Cb -0.16 -2.18 0.00 0.00 0.04 0.00 0.00 32.58 30.27 3d50 s HIS 765 CO 0.14 0.07 -0.08 -1.14 -2.34 0.00 0.00 174.74 171.39 3d50 s GLN 766 N 0.81 0.73 -0.23 2.88 0.74 0.30 -0.79 119.66 124.11 3d50 s GLN 766 Ca 0.06 -0.26 -0.01 0.00 0.05 0.00 0.00 55.36 55.20 3d50 s GLN 766 Cb -0.13 -0.71 0.02 0.00 1.10 0.00 0.00 33.01 33.29 3d50 s GLN 766 CO 0.02 0.12 -0.10 0.99 -0.55 0.00 0.00 175.29 175.77 3d50 s THR 767 N 0.06 2.69 -0.12 -0.34 2.01 -0.06 -0.98 115.64 118.90 3d50 s THR 767 Ca -0.01 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 3d50 s THR 767 Cb -0.06 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 3d50 s THR 767 CO -0.00 0.32 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.54 3d50 s ILE 768 N 1.33 3.56 -0.17 1.82 1.01 0.13 -1.20 121.20 127.67 3d50 s ILE 768 Ca 0.02 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3d50 s ILE 768 Cb -0.15 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.82 3d50 s ILE 768 CO -0.07 0.53 -0.19 -0.04 0.00 0.00 0.00 174.94 175.17 3d50 s MET 769 N 0.02 3.04 -0.05 2.79 -1.94 0.21 -0.71 119.30 122.67 3d50 s MET 769 Ca -0.02 -0.82 0.07 0.00 -1.71 0.00 0.00 55.69 53.21 3d50 s MET 769 Cb -0.14 -2.56 0.11 0.00 2.01 0.00 0.00 34.83 34.25 3d50 s MET 769 CO 0.03 -0.14 1.00 0.54 -0.01 0.00 0.00 175.02 176.45 3d50 n ARG 770 N 4.43 1.78 0.00 2.03 1.74 -1.26 -1.33 116.66 124.06 3d50 n ARG 770 Ca -0.20 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.13 3d50 n ARG 770 Cb 0.51 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3d50 n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d50 n GLY 771 N -0.75 0.57 0.00 -0.13 0.00 -1.26 -4.86 105.19 98.76 3d50 n GLY 771 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3d50 n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d50 n GLY 772 N -1.35 5.28 3.70 -0.02 0.00 -1.26 -3.35 105.19 108.19 3d50 n GLY 772 Ca 0.00 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 3d50 n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d50 n ALA 773 N -3.00 1.64 -1.09 4.61 0.00 -1.26 -4.55 120.51 116.86 3d50 n ALA 773 Ca 0.00 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 3d50 n ALA 773 Cb 0.00 -2.34 0.12 0.00 0.00 0.00 0.00 19.45 17.23 3d50 n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d50 s PRO 774 N -0.65 1.84 -0.11 0.00 0.04 -1.24 -4.78 135.00 130.11 3d50 s PRO 774 Ca 0.65 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 3d50 s PRO 774 Cb -0.58 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 3d50 s PRO 774 CO 0.51 -1.97 0.05 -2.00 0.04 0.00 0.00 177.00 173.63 3d50 s GLU 775 N -4.83 3.27 -0.12 4.56 2.12 0.12 -2.04 118.70 121.79 3d50 s GLU 775 Ca 0.63 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.64 3d50 s GLU 775 Cb -0.19 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 3d50 s GLU 775 CO 0.57 0.65 -0.13 0.42 -0.54 0.00 0.00 175.26 176.23 3d50 s ILE 776 N -0.71 3.09 -0.09 -3.70 -1.09 -0.32 0.21 121.20 118.59 3d50 s ILE 776 Ca 0.12 -0.66 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 3d50 s ILE 776 Cb -0.12 -2.29 0.01 0.00 -1.58 0.00 0.00 42.46 38.48 3d50 s ILE 776 CO 0.02 0.53 -0.19 -0.13 -1.23 0.00 0.00 174.94 173.95 3d50 s ARG 777 N 0.17 2.52 -0.18 2.79 0.52 -0.15 -0.46 118.95 124.16 3d50 s ARG 777 Ca -0.07 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 3d50 s ARG 777 Cb -0.15 -1.96 0.01 0.00 0.52 0.00 0.00 34.95 33.37 3d50 s ARG 777 CO 0.05 0.11 -0.17 -0.80 0.02 0.00 0.00 175.30 174.51 3d50 s ASN 778 N 0.51 3.42 -0.52 0.23 0.01 -0.08 -0.54 114.94 117.98 3d50 s ASN 778 Ca -0.16 -0.57 -0.21 0.00 -0.71 0.00 0.00 52.86 51.21 3d50 s ASN 778 Cb -0.17 -1.53 0.05 0.00 0.41 0.00 0.00 41.25 40.01 3d50 s ASN 778 CO 0.06 0.02 0.72 -0.22 -1.51 0.00 0.00 177.10 176.17 3d50 s LEU 779 N 1.17 4.71 -0.37 0.60 2.96 0.43 -0.56 118.68 127.62 3d50 s LEU 779 Ca 0.02 -0.75 -0.13 0.00 -0.22 0.00 0.00 54.13 53.05 3d50 s LEU 779 Cb -0.14 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.01 3d50 s LEU 779 CO -0.07 -0.99 0.24 -0.69 -1.32 0.00 0.00 176.35 173.51 3d50 s VAL 780 N 3.02 4.93 -0.39 1.68 1.01 0.04 -1.09 120.40 129.60 3d50 s VAL 780 Ca 0.20 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3d50 s VAL 780 Cb -0.17 -3.69 0.12 0.00 0.00 0.00 0.00 36.38 32.64 3d50 s VAL 780 CO 0.14 -0.19 0.16 -0.62 0.00 0.00 0.00 175.10 174.60 3d50 s ASP 781 N 1.63 4.01 0.03 3.32 -1.08 0.42 -1.89 116.67 123.11 3d50 s ASP 781 Ca 0.04 -2.24 0.18 0.00 -0.52 0.00 0.00 52.55 50.00 3d50 s ASP 781 Cb -0.19 -1.12 0.75 0.00 -1.46 0.00 0.00 42.92 40.91 3d50 s ASP 781 CO 0.08 -0.33 1.57 0.00 0.52 0.00 0.00 175.17 177.01 3d50 n ILE 782 N 4.07 0.82 -1.44 4.11 3.06 -1.26 -4.27 119.36 124.45 3d50 n ILE 782 Ca 0.04 0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.49 3d50 n ILE 782 Cb 0.38 -0.93 0.00 0.00 0.54 0.00 0.00 39.64 39.63 3d50 n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3d50 n GLY 783 N 0.26 3.26 1.64 4.50 0.00 -1.26 -2.15 105.19 111.44 3d50 n GLY 783 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 3d50 n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d50 n SER 784 N 3.24 4.20 -4.58 1.61 3.41 -1.26 -4.88 113.62 115.37 3d50 n SER 784 Ca 0.00 -3.29 -0.37 0.00 -0.26 0.00 0.00 58.87 54.95 3d50 n SER 784 Cb 0.00 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.23 3d50 n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d50 s LEU 785 N -3.02 3.50 0.57 1.04 1.43 -0.91 -4.96 118.68 116.33 3d50 s LEU 785 Ca 0.51 -2.00 -0.20 0.00 -1.03 0.00 0.00 54.13 51.41 3d50 s LEU 785 Cb 0.42 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3d50 s LEU 785 CO 0.10 -1.95 1.27 -1.81 0.23 0.00 0.00 176.35 174.19 3d50 s ASP 786 N 5.27 5.20 -1.39 2.29 1.11 -1.26 -3.44 116.67 124.45 3d50 s ASP 786 Ca 0.59 2.55 -0.06 0.00 0.18 0.00 0.00 52.55 55.81 3d50 s ASP 786 Cb 0.01 -2.62 0.03 0.00 1.07 0.00 0.00 42.92 41.42 3d50 s ASP 786 CO 0.08 -1.60 0.86 0.59 1.18 0.00 0.00 175.17 176.28 3d50 n ASN 787 N -1.35 -2.96 -4.03 0.27 3.02 0.93 -4.97 115.26 106.17 3d50 n ASN 787 Ca 0.12 -0.77 -0.19 0.00 -0.03 0.00 0.00 54.58 53.71 3d50 n ASN 787 Cb 0.48 -4.13 -0.15 0.00 -0.61 0.00 0.00 39.78 35.36 3d50 n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3d50 s THR 788 N -3.49 0.77 -0.14 3.41 2.01 -0.86 -3.93 115.64 113.42 3d50 s THR 788 Ca 0.29 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.90 3d50 s THR 788 Cb -0.14 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.72 3d50 s THR 788 CO 0.81 0.23 -0.18 -1.61 -0.69 0.00 0.00 174.62 173.18 3d50 s GLU 789 N -0.12 2.58 -0.19 4.92 2.02 -0.23 -0.79 118.70 126.89 3d50 s GLU 789 Ca 0.02 -0.69 -0.17 0.00 0.02 0.00 0.00 54.97 54.15 3d50 s GLU 789 Cb -0.05 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 3d50 s GLU 789 CO -0.00 -0.11 0.45 0.42 0.02 0.00 0.00 175.26 176.04 3d50 s ILE 790 N 1.10 5.17 0.01 -1.63 1.01 -0.54 -0.57 121.20 125.74 3d50 s ILE 790 Ca -0.02 0.83 0.07 0.00 0.00 0.00 0.00 60.65 61.52 3d50 s ILE 790 Cb -0.14 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 3d50 s ILE 790 CO -0.05 0.24 -0.19 0.54 0.00 0.00 0.00 174.94 175.48 3d50 s VAL 791 N 1.28 2.73 -0.20 2.92 0.11 -0.10 0.09 120.40 127.23 3d50 s VAL 791 Ca 0.22 -1.09 -0.06 0.00 -2.93 0.00 0.00 61.98 58.12 3d50 s VAL 791 Cb -0.15 -2.11 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 3d50 s VAL 791 CO 0.09 0.42 0.02 -0.32 -3.33 0.00 0.00 175.10 171.98 3d50 s MET 792 N -1.18 3.71 0.04 1.54 1.75 -0.45 -1.22 119.30 123.49 3d50 s MET 792 Ca 0.13 -0.47 0.09 0.00 -1.25 0.00 0.00 55.69 54.19 3d50 s MET 792 Cb -0.10 -3.14 -0.03 0.00 2.84 0.00 0.00 34.83 34.40 3d50 s MET 792 CO 0.03 0.06 -0.26 0.50 -0.65 0.00 0.00 175.02 174.71 3d50 s ARG 793 N 0.91 1.85 -0.19 4.11 3.52 0.17 -0.90 118.95 128.41 3d50 s ARG 793 Ca 0.02 -1.09 -0.05 0.00 -0.13 0.00 0.00 55.73 54.48 3d50 s ARG 793 Cb -0.14 -2.00 -0.02 0.00 -1.56 0.00 0.00 34.95 31.22 3d50 s ARG 793 CO 0.02 0.52 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.51 3d50 s LEU 794 N -1.22 3.25 -0.23 -0.88 1.43 0.18 -1.11 118.68 120.10 3d50 s LEU 794 Ca 0.12 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.95 3d50 s LEU 794 Cb -0.10 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3d50 s LEU 794 CO 0.02 0.08 0.09 -1.61 0.23 0.00 0.00 176.35 175.16 3d50 s GLU 795 N 0.88 3.82 0.37 1.70 2.02 0.09 -1.55 118.70 126.03 3d50 s GLU 795 Ca 0.01 -0.40 0.06 0.00 0.02 0.00 0.00 54.97 54.65 3d50 s GLU 795 Cb -0.14 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 3d50 s GLU 795 CO 0.02 -0.01 0.22 0.25 0.02 0.00 0.00 175.26 175.75 3d50 n THR 796 N 4.43 0.00 -1.07 3.63 -2.24 -0.50 -1.25 114.28 117.28 3d50 n THR 796 Ca -0.16 -2.42 0.04 0.00 -2.27 0.00 0.00 64.05 59.25 3d50 n THR 796 Cb 0.52 1.05 0.27 0.00 -2.10 0.00 0.00 70.33 70.07 3d50 n THR 796 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3d50 n HIS 797 N -0.77 1.26 -2.46 4.78 8.25 -1.26 -4.62 115.22 120.40 3d50 n HIS 797 Ca 0.01 -1.03 -0.42 0.00 -0.26 0.00 0.00 57.72 56.03 3d50 n HIS 797 Cb 0.61 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 3d50 n HIS 797 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3d50 s ILE 798 N -2.92 4.16 -1.32 1.59 1.01 -1.26 -4.91 121.20 117.54 3d50 s ILE 798 Ca 0.45 1.54 -0.10 0.00 0.00 0.00 0.00 60.65 62.54 3d50 s ILE 798 Cb 0.37 -3.99 0.14 0.00 0.01 0.00 0.00 42.46 38.99 3d50 s ILE 798 CO 0.09 0.11 1.97 -0.67 0.00 0.00 0.00 174.94 176.44 3d50 n ASP 799 N 3.98 4.84 0.16 3.58 2.03 -1.26 -2.67 116.55 127.20 3d50 n ASP 799 Ca 0.09 -3.05 0.12 0.00 0.52 0.00 0.00 54.79 52.46 3d50 n ASP 799 Cb 0.47 -1.52 0.10 0.00 -0.72 0.00 0.00 41.12 39.45 3d50 n ASP 799 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3d50 h SER 800 N 5.78 0.00 0.00 1.67 4.64 -1.90 -3.41 113.55 120.33 3d50 h SER 800 Ca 0.44 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3d50 h SER 800 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3d50 h SER 800 CO 1.69 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 178.26 3d50 n GLY 801 N 1.15 2.78 0.85 -0.77 0.00 -1.26 -2.37 105.19 105.57 3d50 n GLY 801 Ca 0.02 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.93 3d50 n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d50 n ASP 802 N 9.35 3.47 -4.85 1.61 5.68 -1.26 -3.07 116.55 127.48 3d50 n ASP 802 Ca 0.00 -2.38 -0.34 0.00 -0.50 0.00 0.00 54.79 51.57 3d50 n ASP 802 Cb 0.00 -0.38 -0.06 0.00 -1.14 0.00 0.00 41.12 39.54 3d50 n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3d50 s ILE 803 N -1.69 5.19 0.25 2.12 -1.09 -1.00 0.41 121.20 125.39 3d50 s ILE 803 Ca 0.33 -0.14 -0.22 0.00 -2.23 0.00 0.00 60.65 58.39 3d50 s ILE 803 Cb 0.22 -3.35 0.03 0.00 -1.58 0.00 0.00 42.46 37.78 3d50 s ILE 803 CO 0.15 0.42 0.72 0.72 -1.23 0.00 0.00 174.94 175.72 3d50 s PHE 804 N -1.19 -0.25 -0.04 3.97 -0.71 -0.89 -4.77 117.98 114.10 3d50 s PHE 804 Ca 0.22 -0.16 0.04 0.00 -1.04 0.00 0.00 56.93 55.99 3d50 s PHE 804 Cb -0.12 0.68 -0.00 0.00 -1.21 0.00 0.00 43.02 42.37 3d50 s PHE 804 CO 0.13 -1.14 -0.14 0.71 -1.34 0.00 0.00 175.22 173.43 3d50 s TYR 805 N -3.84 1.44 0.15 3.49 1.51 -0.52 0.00 117.35 119.58 3d50 s TYR 805 Ca 0.09 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.81 3d50 s TYR 805 Cb -0.05 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 3d50 s TYR 805 CO 0.03 -0.14 -0.11 0.95 -1.11 0.00 0.00 175.55 175.17 3d50 s THR 806 N 0.09 1.26 0.45 -0.71 -4.23 -1.05 -1.63 115.64 109.82 3d50 s THR 806 Ca -0.03 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 58.40 3d50 s THR 806 Cb -0.10 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.87 3d50 s THR 806 CO 0.01 -0.71 0.69 1.51 -0.54 0.00 0.00 174.62 175.59 3d50 s ASP 807 N -3.14 5.97 -0.26 3.99 -4.77 -0.91 -0.78 116.67 116.77 3d50 s ASP 807 Ca 0.17 0.48 -0.00 0.00 -3.30 0.00 0.00 52.55 49.89 3d50 s ASP 807 Cb 0.02 -1.77 0.04 0.00 -1.09 0.00 0.00 42.92 40.11 3d50 s ASP 807 CO 0.02 -0.64 -0.07 -0.76 0.70 0.00 0.00 175.17 174.42 3d50 s LEU 808 N -4.59 3.35 -1.69 2.11 1.43 0.06 -4.36 118.68 115.00 3d50 s LEU 808 Ca 0.47 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3d50 s LEU 808 Cb -0.10 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.49 3d50 s LEU 808 CO 0.39 -0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.40 3d50 n ASN 809 N 4.59 -5.36 -0.76 2.29 4.13 -1.26 -1.23 115.26 117.66 3d50 n ASN 809 Ca -0.15 0.11 -0.10 0.00 1.68 0.00 0.00 54.58 56.12 3d50 n ASN 809 Cb 0.45 -4.53 -0.04 0.00 -1.54 0.00 0.00 39.78 34.11 3d50 n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d50 n GLY 810 N -0.85 1.09 0.03 7.41 0.00 -1.26 -0.11 105.19 111.50 3d50 n GLY 810 Ca -0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 3d50 n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3d50 n LEU 811 N -1.12 0.99 -3.56 0.99 7.94 -0.37 -4.90 117.00 116.97 3d50 n LEU 811 Ca -0.10 -0.01 -0.15 0.00 -1.11 0.00 0.00 56.01 54.64 3d50 n LEU 811 Cb 0.40 0.01 -0.05 0.00 0.53 0.00 0.00 43.42 44.31 3d50 n LEU 811 CO 0.15 0.31 0.31 0.00 -1.11 0.00 0.00 177.39 177.05 3d50 s GLN 812 N -2.15 1.04 -0.14 1.96 -2.07 -1.19 -5.00 119.66 112.11 3d50 s GLN 812 Ca -0.06 -0.13 -0.04 0.00 -1.82 0.00 0.00 55.36 53.32 3d50 s GLN 812 Cb 0.02 0.48 -0.03 0.00 -1.09 0.00 0.00 33.01 32.39 3d50 s GLN 812 CO 0.23 -0.36 -0.00 -0.06 -1.32 0.00 0.00 175.29 173.77 3d50 s PHE 813 N -2.17 3.12 -0.05 9.60 0.40 -1.25 -0.76 117.98 126.88 3d50 s PHE 813 Ca -0.07 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 3d50 s PHE 813 Cb -0.01 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 3d50 s PHE 813 CO 0.01 0.16 -0.19 -1.50 0.70 0.00 0.00 175.22 174.40 3d50 s ILE 814 N -0.02 2.67 0.11 0.64 2.07 0.04 -1.85 121.20 124.87 3d50 s ILE 814 Ca 0.03 -0.87 -0.30 0.00 -1.41 0.00 0.00 60.65 58.10 3d50 s ILE 814 Cb -0.13 -2.01 -0.06 0.00 0.13 0.00 0.00 42.46 40.38 3d50 s ILE 814 CO 0.02 0.58 1.17 -0.75 -1.91 0.00 0.00 174.94 174.06 3d50 s LYS 815 N -0.59 4.48 0.06 3.50 2.20 -0.24 -2.52 119.74 126.62 3d50 s LYS 815 Ca 0.09 1.77 0.06 0.00 -0.36 0.00 0.00 55.97 57.53 3d50 s LYS 815 Cb -0.11 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 3d50 s LYS 815 CO 0.01 -0.15 -0.10 1.03 -0.36 0.00 0.00 175.35 175.77 3d50 s ARG 816 N 0.50 2.26 -0.14 4.03 1.81 0.10 -4.95 118.95 122.57 3d50 s ARG 816 Ca 0.55 -0.91 0.01 0.00 -1.72 0.00 0.00 55.73 53.66 3d50 s ARG 816 Cb -0.30 -2.35 0.02 0.00 -0.45 0.00 0.00 34.95 31.87 3d50 s ARG 816 CO 0.32 0.55 -0.16 0.50 -0.68 0.00 0.00 175.30 175.83 3d50 s ARG 817 N -1.78 2.40 0.10 3.54 3.52 -1.26 -2.09 118.95 123.37 3d50 s ARG 817 Ca 0.19 -0.61 -0.31 0.00 -0.13 0.00 0.00 55.73 54.87 3d50 s ARG 817 Cb -0.11 -2.12 -0.09 0.00 -1.56 0.00 0.00 34.95 31.07 3d50 s ARG 817 CO 0.10 -0.17 1.57 0.50 -0.81 0.00 0.00 175.30 176.49 3d50 s ARG 818 N 1.29 4.22 -0.23 5.12 3.52 0.16 -5.00 118.95 128.03 3d50 s ARG 818 Ca 0.01 2.28 -0.01 0.00 -0.13 0.00 0.00 55.73 57.88 3d50 s ARG 818 Cb -0.14 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 3d50 s ARG 818 CO -0.08 -0.65 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.16 3d50 s LEU 819 N 1.99 2.92 0.19 -0.88 1.43 -1.26 -4.90 118.68 118.17 3d50 s LEU 819 Ca 0.71 -0.80 0.21 0.00 -1.03 0.00 0.00 54.13 53.22 3d50 s LEU 819 Cb -0.40 -1.62 0.89 0.00 0.03 0.00 0.00 46.19 45.09 3d50 s LEU 819 CO 0.31 -0.09 1.65 0.47 0.23 0.00 0.00 176.35 178.93 3d50 n ASP 820 N 4.65 0.50 0.00 2.29 8.00 -1.26 -1.22 116.55 129.52 3d50 n ASP 820 Ca -0.18 0.62 0.09 0.00 0.71 0.00 0.00 54.79 56.04 3d50 n ASP 820 Cb 0.48 -0.73 0.42 0.00 -0.02 0.00 0.00 41.12 41.27 3d50 n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3d50 n LYS 821 N -2.05 0.04 -4.18 -1.24 2.85 -1.26 -4.73 118.16 107.58 3d50 n LYS 821 Ca 0.03 0.16 -0.30 0.00 -1.05 0.00 0.00 58.31 57.14 3d50 n LYS 821 Cb 0.22 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.01 3d50 n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3d50 s LEU 822 N -2.94 3.28 0.94 -5.58 1.43 -0.36 -5.05 118.68 110.41 3d50 s LEU 822 Ca 0.11 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 3d50 s LEU 822 Cb 0.13 -2.03 0.15 0.00 0.03 0.00 0.00 46.19 44.47 3d50 s LEU 822 CO 0.34 0.18 1.09 -2.16 0.23 0.00 0.00 176.35 176.04 3d50 s PRO 823 N -2.23 0.91 0.22 1.29 0.04 -1.26 -4.86 135.00 129.11 3d50 s PRO 823 Ca 0.24 0.72 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 3d50 s PRO 823 Cb -0.11 -1.78 0.32 0.00 0.04 0.00 0.00 34.50 32.97 3d50 s PRO 823 CO 0.16 -2.45 1.65 1.25 0.04 0.00 0.00 177.00 177.65 3d50 h LEU 824 N -1.70 -0.34 -1.95 -3.56 6.46 -1.96 -1.35 115.31 110.92 3d50 h LEU 824 Ca -0.51 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.40 3d50 h LEU 824 Cb 1.30 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 41.53 3d50 h LEU 824 CO 0.55 -0.14 -0.07 0.06 -0.62 0.00 0.00 178.44 178.22 3d50 h GLN 825 N 0.10 0.00 0.00 1.25 -0.00 -1.91 -0.18 115.11 114.37 3d50 h GLN 825 Ca 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.95 3d50 h GLN 825 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.03 3d50 h GLN 825 CO -0.58 0.07 -0.19 0.00 -0.00 0.00 0.00 178.83 178.13 3d50 h ALA 826 N 1.93 0.89 -0.03 0.06 0.00 -1.59 -3.08 119.26 117.44 3d50 h ALA 826 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3d50 h ALA 826 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3d50 h ALA 826 CO 0.01 0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.58 3d50 n ASN 827 N -3.17 1.14 -4.74 0.00 3.02 -0.08 -4.60 115.26 106.83 3d50 n ASN 827 Ca 0.03 -1.43 -0.41 0.00 -0.03 0.00 0.00 54.58 52.74 3d50 n ASN 827 Cb 0.57 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.68 3d50 n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3d50 s TYR 828 N -1.97 3.82 0.12 3.10 1.51 -1.17 -4.58 117.35 118.18 3d50 s TYR 828 Ca 0.39 1.80 0.02 0.00 -1.01 0.00 0.00 57.07 58.26 3d50 s TYR 828 Cb 0.20 -3.08 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 3d50 s TYR 828 CO 0.32 0.11 -0.05 0.71 -1.11 0.00 0.00 175.55 175.54 3d50 s TYR 829 N -0.47 0.96 0.31 2.71 2.02 -0.42 -4.70 117.35 117.77 3d50 s TYR 829 Ca 0.45 -0.95 -0.29 0.00 -0.37 0.00 0.00 57.07 55.91 3d50 s TYR 829 Cb -0.26 -0.55 -0.10 0.00 -0.40 0.00 0.00 41.96 40.65 3d50 s TYR 829 CO 0.32 -0.18 1.42 -2.14 -1.57 0.00 0.00 175.55 173.40 3d50 s PRO 830 N -3.86 4.24 -0.70 -1.71 0.02 -1.26 -1.60 135.00 130.13 3d50 s PRO 830 Ca 0.15 2.37 0.05 0.00 0.02 0.00 0.00 61.00 63.59 3d50 s PRO 830 Cb 0.06 -3.05 0.24 0.00 0.02 0.00 0.00 34.50 31.76 3d50 s PRO 830 CO -0.03 -0.39 0.76 -0.89 -0.33 0.00 0.00 177.00 176.12 3d50 n ILE 831 N 1.32 2.49 0.19 2.83 2.08 0.80 -4.53 119.36 124.54 3d50 n ILE 831 Ca 0.03 -5.21 0.05 0.00 0.56 0.00 0.00 62.75 58.18 3d50 n ILE 831 Cb 0.40 -2.13 0.48 0.00 -0.75 0.00 0.00 39.64 37.64 3d50 n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3d50 h PRO 832 N 4.60 0.08 0.00 0.38 0.13 -1.77 -2.80 132.00 132.62 3d50 h PRO 832 Ca 0.19 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3d50 h PRO 832 Cb 0.68 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3d50 h PRO 832 CO 0.85 0.23 0.00 -1.13 -0.23 0.00 0.00 178.00 177.72 3d50 n SER 833 N -4.33 0.00 -3.60 1.44 3.41 -1.26 -3.86 113.62 105.42 3d50 n SER 833 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.56 3d50 n SER 833 Cb 0.24 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3d50 n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3d50 s GLY 834 N 0.00 -0.32 -0.00 5.00 0.00 -1.26 -0.77 107.32 109.97 3d50 s GLY 834 Ca 0.00 1.36 -0.20 0.00 0.00 0.00 0.00 44.72 45.87 3d50 s GLY 834 CO 0.00 0.42 0.45 -3.16 0.00 0.00 0.00 173.10 170.81 3d50 s MET 835 N -2.43 0.86 0.08 2.90 0.23 -0.53 -2.14 119.30 118.28 3d50 s MET 835 Ca 0.11 -0.12 -0.11 0.00 -1.03 0.00 0.00 55.69 54.53 3d50 s MET 835 Cb 0.00 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 33.71 3d50 s MET 835 CO -0.04 -0.27 0.25 -0.59 -2.03 0.00 0.00 175.02 172.34 3d50 s PHE 836 N -1.67 0.03 0.08 3.16 -0.12 -0.65 -0.63 117.98 118.18 3d50 s PHE 836 Ca -0.10 -0.36 0.06 0.00 -0.05 0.00 0.00 56.93 56.48 3d50 s PHE 836 Cb -0.02 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.37 3d50 s PHE 836 CO 0.04 -0.55 -0.17 0.96 -0.05 0.00 0.00 175.22 175.44 3d50 s ILE 837 N -3.47 1.36 0.10 -4.49 -4.36 -0.79 -1.44 121.20 108.11 3d50 s ILE 837 Ca 0.02 -1.39 -0.11 0.00 -0.26 0.00 0.00 60.65 58.90 3d50 s ILE 837 Cb 0.03 -1.27 0.01 0.00 1.25 0.00 0.00 42.46 42.48 3d50 s ILE 837 CO -0.09 -0.14 0.27 -1.83 0.24 0.00 0.00 174.94 173.38 3d50 s GLU 838 N -1.77 0.92 0.00 0.37 -1.05 -1.26 -1.53 118.70 114.37 3d50 s GLU 838 Ca 0.02 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 53.98 3d50 s GLU 838 Cb -0.10 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 3d50 s GLU 838 CO 0.03 -0.32 0.00 -0.40 0.95 0.00 0.00 175.26 175.52 3d50 n ASP 839 N -0.10 0.97 0.16 0.83 5.68 0.02 -4.15 116.55 119.96 3d50 n ASP 839 Ca -0.15 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.18 3d50 n ASP 839 Cb 0.63 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 41.10 3d50 n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3d50 h ALA 840 N 1.00 1.73 0.00 2.12 0.00 -1.97 -3.35 119.26 118.79 3d50 h ALA 840 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 3d50 h ALA 840 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3d50 h ALA 840 CO 0.00 0.20 -1.53 0.09 0.00 0.00 0.00 179.25 178.02 3d50 n ASN 841 N -4.40 3.16 -4.06 0.00 3.02 -1.26 -3.52 115.26 108.18 3d50 n ASN 841 Ca -0.01 -0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 54.33 3d50 n ASN 841 Cb 0.17 0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 39.70 3d50 n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3d50 s THR 842 N -2.19 0.87 0.05 3.41 2.01 -1.26 -0.42 115.64 118.11 3d50 s THR 842 Ca -0.06 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.45 3d50 s THR 842 Cb 0.02 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 3d50 s THR 842 CO 0.29 0.18 -0.18 -0.60 -0.69 0.00 0.00 174.62 173.62 3d50 s ARG 843 N -0.43 1.20 -0.14 4.92 3.52 -0.19 -0.80 118.95 127.03 3d50 s ARG 843 Ca 0.03 -0.88 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 3d50 s ARG 843 Cb -0.05 -1.28 0.02 0.00 -1.56 0.00 0.00 34.95 32.08 3d50 s ARG 843 CO -0.00 0.32 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.46 3d50 s LEU 844 N -1.21 1.89 -0.09 -0.88 2.96 -0.59 -1.01 118.68 119.76 3d50 s LEU 844 Ca 0.05 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3d50 s LEU 844 Cb -0.08 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 3d50 s LEU 844 CO 0.02 0.02 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.00 3d50 s THR 845 N 1.08 2.73 -0.25 3.68 2.01 0.91 -1.88 115.64 123.91 3d50 s THR 845 Ca -0.03 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 3d50 s THR 845 Cb -0.14 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.30 3d50 s THR 845 CO -0.05 0.55 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.17 3d50 s LEU 846 N -0.01 3.23 0.02 4.42 2.96 0.20 -1.02 118.68 128.48 3d50 s LEU 846 Ca -0.05 -0.79 -0.01 0.00 -0.22 0.00 0.00 54.13 53.07 3d50 s LEU 846 Cb -0.15 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 3d50 s LEU 846 CO 0.05 -0.12 0.13 -0.76 -1.32 0.00 0.00 176.35 174.32 3d50 s LEU 847 N 1.37 4.09 0.16 -0.68 2.01 -0.18 -1.45 118.68 124.01 3d50 s LEU 847 Ca 0.01 0.20 0.08 0.00 0.01 0.00 0.00 54.13 54.44 3d50 s LEU 847 Cb -0.16 -2.51 -0.04 0.00 0.01 0.00 0.00 46.19 43.49 3d50 s LEU 847 CO -0.03 0.24 -0.17 0.42 1.01 0.00 0.00 176.35 177.81 3d50 s THR 848 N -1.31 1.75 -1.67 5.49 -4.23 0.05 -1.62 115.64 114.10 3d50 s THR 848 Ca 0.27 -1.92 0.21 0.00 -1.18 0.00 0.00 61.69 59.07 3d50 s THR 848 Cb -0.12 -1.82 0.68 0.00 1.34 0.00 0.00 72.50 72.57 3d50 s THR 848 CO 0.19 -0.36 1.58 0.61 -0.54 0.00 0.00 174.62 176.10 3d50 n GLY 849 N 0.26 2.60 3.57 3.99 0.00 -0.47 -4.75 105.19 110.38 3d50 n GLY 849 Ca -0.13 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 3d50 n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d50 s GLN 850 N -1.30 0.73 0.12 1.61 0.00 -1.26 -4.72 119.66 114.82 3d50 s GLN 850 Ca 0.50 0.28 -0.30 0.00 -0.00 0.00 0.00 55.36 55.84 3d50 s GLN 850 Cb 0.28 0.34 -0.06 0.00 0.00 0.00 0.00 33.01 33.58 3d50 s GLN 850 CO 0.30 -0.21 1.07 -1.25 0.00 0.00 0.00 175.29 175.21 3d50 s PRO 851 N -0.88 4.58 0.22 9.60 0.04 -1.25 -4.70 135.00 142.62 3d50 s PRO 851 Ca -0.04 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 3d50 s PRO 851 Cb -0.01 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 3d50 s PRO 851 CO 0.03 0.02 0.19 -0.51 0.04 0.00 0.00 177.00 176.77 3d50 s LEU 852 N 0.18 1.15 0.20 -3.56 1.43 -1.05 -4.77 118.68 112.26 3d50 s LEU 852 Ca 0.51 -1.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.17 3d50 s LEU 852 Cb -0.27 0.55 -0.05 0.00 0.03 0.00 0.00 46.19 46.45 3d50 s LEU 852 CO 0.32 -0.91 0.44 -0.83 0.23 0.00 0.00 176.35 175.60 3d50 s GLY 853 N -3.18 2.03 0.27 -3.19 0.00 -0.96 -0.14 107.32 102.16 3d50 s GLY 853 Ca 0.38 -0.61 -0.19 0.00 0.00 0.00 0.00 44.72 44.30 3d50 s GLY 853 CO 0.14 -0.52 0.95 -0.32 0.00 0.00 0.00 173.10 173.34 3d50 s GLY 854 N -2.79 0.26 0.17 0.20 0.00 -0.63 -1.00 107.32 103.53 3d50 s GLY 854 Ca 0.42 -0.56 -0.20 0.00 0.00 0.00 0.00 44.72 44.37 3d50 s GLY 854 CO 0.27 1.56 0.95 -1.26 0.00 0.00 0.00 173.10 174.62 3d50 n SER 855 N -1.40 -1.59 -3.73 1.64 2.88 -0.21 -1.30 113.62 109.92 3d50 n SER 855 Ca -0.05 -1.83 -0.30 0.00 -1.33 0.00 0.00 58.87 55.36 3d50 n SER 855 Cb 0.59 2.59 -0.15 0.00 -0.75 0.00 0.00 64.21 66.49 3d50 n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3d50 s SER 856 N -3.26 3.97 0.00 -3.46 0.15 -1.26 -0.85 113.70 108.99 3d50 s SER 856 Ca 0.21 -1.77 0.28 0.00 0.70 0.00 0.00 55.95 55.37 3d50 s SER 856 Cb -0.03 -0.88 1.04 0.00 -1.71 0.00 0.00 66.02 64.44 3d50 s SER 856 CO 0.05 -0.40 1.75 0.18 1.20 0.00 0.00 173.24 176.03 3d50 n LEU 857 N 4.68 0.46 -3.54 3.45 4.77 -1.26 -4.83 117.00 120.73 3d50 n LEU 857 Ca -0.00 0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.86 3d50 n LEU 857 Cb 0.41 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3d50 n LEU 857 CO 0.13 0.09 0.39 0.00 -1.33 0.00 0.00 177.39 176.67 3d50 s ALA 858 N -2.66 -1.63 0.08 -1.18 0.00 -1.26 -5.09 121.76 110.01 3d50 s ALA 858 Ca 0.23 1.11 -0.37 0.00 0.00 0.00 0.00 51.96 52.93 3d50 s ALA 858 Cb 0.19 0.11 -0.17 0.00 0.00 0.00 0.00 23.12 23.25 3d50 s ALA 858 CO 0.53 -0.40 1.26 0.45 0.00 0.00 0.00 175.76 177.60 3d50 n SER 859 N 0.80 1.25 0.00 0.00 2.88 -1.18 -1.00 113.62 116.37 3d50 n SER 859 Ca -0.19 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 3d50 n SER 859 Cb 0.58 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 3d50 n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d50 n GLY 860 N 2.26 0.90 3.81 0.46 0.00 -1.09 -4.88 105.19 106.65 3d50 n GLY 860 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3d50 n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d50 s GLU 861 N -0.18 3.00 0.03 1.61 2.02 -0.17 -1.40 118.70 123.60 3d50 s GLU 861 Ca 0.00 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.31 3d50 s GLU 861 Cb 0.00 -2.76 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 3d50 s GLU 861 CO 0.00 0.54 -0.09 -0.51 0.02 0.00 0.00 175.26 175.22 3d50 s LEU 862 N -2.70 2.15 0.02 1.80 1.43 -0.60 -4.51 118.68 116.28 3d50 s LEU 862 Ca 0.31 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 3d50 s LEU 862 Cb -0.11 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.75 3d50 s LEU 862 CO 0.24 -0.03 0.23 -1.83 0.23 0.00 0.00 176.35 175.19 3d50 s GLU 863 N -0.98 0.69 -0.15 1.70 -1.05 -0.03 0.47 118.70 119.34 3d50 s GLU 863 Ca -0.02 -0.48 -0.07 0.00 -0.15 0.00 0.00 54.97 54.25 3d50 s GLU 863 Cb -0.07 0.29 0.06 0.00 -0.44 0.00 0.00 34.13 33.97 3d50 s GLU 863 CO 0.01 -0.20 0.34 -1.50 0.95 0.00 0.00 175.26 174.86 3d50 s ILE 864 N -2.15 -0.18 0.24 1.83 2.07 -0.08 -1.04 121.20 121.89 3d50 s ILE 864 Ca -0.08 0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.01 3d50 s ILE 864 Cb -0.03 -0.53 -0.09 0.00 0.13 0.00 0.00 42.46 41.95 3d50 s ILE 864 CO -0.01 0.06 1.12 -0.32 -1.91 0.00 0.00 174.94 173.87 3d50 s MET 865 N 1.70 4.61 -0.25 3.50 -2.45 -0.17 -1.34 119.30 124.89 3d50 s MET 865 Ca -0.07 1.80 -0.09 0.00 -1.25 0.00 0.00 55.69 56.08 3d50 s MET 865 Cb -0.10 -3.22 -0.16 0.00 1.25 0.00 0.00 34.83 32.61 3d50 s MET 865 CO -0.11 0.13 -0.18 1.04 1.05 0.00 0.00 175.02 176.96 3d50 n GLN 866 N 1.65 0.62 -3.72 4.11 1.13 0.11 -4.50 117.38 116.78 3d50 n GLN 866 Ca 0.01 0.27 -0.07 0.00 -1.94 0.00 0.00 57.00 55.26 3d50 n GLN 866 Cb 0.45 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 29.23 3d50 n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3d50 s ASP 867 N -7.07 -0.30 -0.14 1.08 -1.08 -1.21 -4.84 116.67 103.11 3d50 s ASP 867 Ca -0.35 -0.39 -0.11 0.00 -0.52 0.00 0.00 52.55 51.18 3d50 s ASP 867 Cb 0.11 0.61 0.04 0.00 -1.46 0.00 0.00 42.92 42.23 3d50 s ASP 867 CO 0.56 -1.10 0.36 0.00 0.52 0.00 0.00 175.17 175.51 3d50 s ARG 868 N -3.65 0.39 -0.12 4.34 1.70 -1.26 -1.47 118.95 118.87 3d50 s ARG 868 Ca 0.09 0.58 -0.00 0.00 -0.47 0.00 0.00 55.73 55.93 3d50 s ARG 868 Cb -0.03 0.11 0.02 0.00 -0.57 0.00 0.00 34.95 34.48 3d50 s ARG 868 CO 0.01 -0.09 -0.09 0.50 -1.08 0.00 0.00 175.30 174.55 3d50 s ARG 869 N 0.64 1.70 -0.12 3.89 3.52 0.03 -4.85 118.95 123.76 3d50 s ARG 869 Ca -0.04 -0.33 -0.00 0.00 -0.13 0.00 0.00 55.73 55.23 3d50 s ARG 869 Cb -0.05 -1.72 0.02 0.00 -1.56 0.00 0.00 34.95 31.65 3d50 s ARG 869 CO -0.04 -0.26 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.58 3d50 s LEU 870 N 1.66 1.31 0.28 -0.88 1.43 0.13 -0.05 118.68 122.55 3d50 s LEU 870 Ca 0.05 -0.35 0.25 0.00 -1.03 0.00 0.00 54.13 53.05 3d50 s LEU 870 Cb -0.13 -0.92 0.66 0.00 0.03 0.00 0.00 46.19 45.83 3d50 s LEU 870 CO -0.09 -0.11 1.73 0.00 0.23 0.00 0.00 176.35 178.11 3d50 h ALA 871 N 8.15 1.00 -3.20 4.21 0.00 -1.89 0.16 119.26 127.69 3d50 h ALA 871 Ca -0.32 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.96 3d50 h ALA 871 Cb 1.13 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 3d50 h ALA 871 CO 0.44 0.00 -0.72 -1.12 0.00 0.00 0.00 179.25 177.85 3d50 s SER 872 N -5.05 4.39 0.46 0.00 0.01 -1.26 -4.50 113.70 107.74 3d50 s SER 872 Ca 0.10 -0.47 -0.21 0.00 1.31 0.00 0.00 55.95 56.67 3d50 s SER 872 Cb 0.10 -0.81 -0.09 0.00 0.21 0.00 0.00 66.02 65.42 3d50 s SER 872 CO 0.62 0.13 1.01 -0.62 0.41 0.00 0.00 173.24 174.79 3d50 s ASP 873 N -2.60 6.60 -0.24 2.44 2.15 -1.26 -3.80 116.67 119.95 3d50 s ASP 873 Ca 0.24 1.86 0.12 0.00 0.43 0.00 0.00 52.55 55.20 3d50 s ASP 873 Cb -0.10 -2.56 0.51 0.00 -0.30 0.00 0.00 42.92 40.48 3d50 s ASP 873 CO 0.15 -0.60 1.45 -0.90 -0.17 0.00 0.00 175.17 175.10 3d50 n ASP 874 N -0.74 3.10 -2.85 -0.34 5.75 -1.26 -4.80 116.55 115.41 3d50 n ASP 874 Ca 0.08 -3.43 -0.20 0.00 -0.01 0.00 0.00 54.79 51.23 3d50 n ASP 874 Cb 0.53 -0.60 0.05 0.00 -1.03 0.00 0.00 41.12 40.07 3d50 n ASP 874 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3d50 n GLU 875 N -0.89 -5.30 -0.10 0.11 1.02 -1.26 -4.89 120.64 109.34 3d50 n GLU 875 Ca 0.28 0.77 0.05 0.00 -0.02 0.00 0.00 57.16 58.24 3d50 n GLU 875 Cb 0.98 -5.42 0.10 0.00 -0.02 0.00 0.00 31.44 27.08 3d50 n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3d50 n ARG 876 N -3.92 2.36 0.00 3.49 5.12 -1.26 -4.99 116.66 117.46 3d50 n ARG 876 Ca -0.06 -2.10 0.00 0.00 -1.93 0.00 0.00 57.85 53.76 3d50 n ARG 876 Cb 0.59 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.58 3d50 n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3d50 n GLY 877 N -0.72 1.12 0.27 -0.13 0.00 -1.26 -4.95 105.19 99.51 3d50 n GLY 877 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 3d50 n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3d50 h LEU 878 N 0.00 0.58 1.57 0.99 5.85 -1.94 -3.47 115.31 118.89 3d50 h LEU 878 Ca 0.00 -0.14 -0.22 0.00 0.84 0.00 0.00 57.88 58.36 3d50 h LEU 878 Cb 0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3d50 h LEU 878 CO 0.00 0.69 -0.28 0.61 -0.34 0.00 0.00 178.44 179.12 3d50 n GLY 879 N -0.68 -0.06 3.51 3.75 0.00 -1.26 -4.87 105.19 105.58 3d50 n GLY 879 Ca 0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 3d50 n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d50 s GLN 880 N -4.52 0.82 0.00 1.61 -2.07 -1.26 -4.99 119.66 109.25 3d50 s GLN 880 Ca 0.00 -0.23 0.00 0.00 -1.82 0.00 0.00 55.36 53.31 3d50 s GLN 880 Cb 0.00 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 3d50 s GLN 880 CO 0.00 -0.34 0.00 0.41 -1.32 0.00 0.00 175.29 174.04 3d50 n GLY 881 N -0.08 0.51 2.99 2.60 0.00 -1.25 -4.23 105.19 105.73 3d50 n GLY 881 Ca -0.10 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 3d50 n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d50 s VAL 882 N 0.77 2.58 -0.13 1.61 1.01 0.56 -4.85 120.40 121.95 3d50 s VAL 882 Ca 0.00 -2.88 0.15 0.00 0.00 0.00 0.00 61.98 59.25 3d50 s VAL 882 Cb 0.00 -2.82 0.35 0.00 0.00 0.00 0.00 36.38 33.91 3d50 s VAL 882 CO 0.00 -0.73 1.17 0.18 0.00 0.00 0.00 175.10 175.73 3d50 n LEU 883 N 3.63 2.07 -0.55 3.92 4.77 -1.26 -0.70 117.00 128.87 3d50 n LEU 883 Ca 0.04 -3.09 0.07 0.00 -0.03 0.00 0.00 56.01 53.00 3d50 n LEU 883 Cb 0.37 -0.36 0.19 0.00 -2.33 0.00 0.00 43.42 41.29 3d50 n LEU 883 CO 0.29 0.96 0.60 -0.90 -1.33 0.00 0.00 177.39 177.01 3d50 n ASP 884 N -0.82 2.71 -4.50 -1.43 5.68 -1.26 -5.06 116.55 111.87 3d50 n ASP 884 Ca 0.14 -3.30 -0.35 0.00 -0.50 0.00 0.00 54.79 50.78 3d50 n ASP 884 Cb 0.76 -0.51 0.09 0.00 -1.14 0.00 0.00 41.12 40.31 3d50 n ASP 884 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3d50 n ASN 885 N -1.08 -0.90 -3.72 -1.12 4.13 -1.26 -5.04 115.26 106.27 3d50 n ASN 885 Ca 0.21 0.55 -0.12 0.00 1.68 0.00 0.00 54.58 56.89 3d50 n ASN 885 Cb 0.78 -1.27 -0.07 0.00 -1.54 0.00 0.00 39.78 37.68 3d50 n ASN 885 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3d50 s LYS 886 N -3.15 0.82 0.20 3.52 -2.85 -1.26 -4.99 119.74 112.03 3d50 s LYS 886 Ca 0.66 -0.38 -0.33 0.00 -1.00 0.00 0.00 55.97 54.92 3d50 s LYS 886 Cb -0.32 0.36 -0.14 0.00 -2.06 0.00 0.00 37.83 35.68 3d50 s LYS 886 CO 0.58 -0.26 1.44 -2.30 0.10 0.00 0.00 175.35 174.90 3d50 n PRO 887 N 0.69 1.94 -4.34 1.78 -0.02 -1.26 -4.81 135.00 128.98 3d50 n PRO 887 Ca -0.19 0.69 -0.18 0.00 -2.02 0.00 0.00 63.50 61.80 3d50 n PRO 887 Cb 0.59 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 3d50 n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3d50 s VAL 888 N 0.27 0.69 -0.46 -1.45 0.11 -0.79 -4.85 120.40 113.92 3d50 s VAL 888 Ca 0.73 -0.40 -0.14 0.00 -2.93 0.00 0.00 61.98 59.24 3d50 s VAL 888 Cb -0.70 -0.58 0.07 0.00 -1.53 0.00 0.00 36.38 33.64 3d50 s VAL 888 CO 0.46 0.18 0.36 -0.22 -3.33 0.00 0.00 175.10 172.55 3d50 s LEU 889 N -0.25 5.49 0.13 2.54 2.96 -1.26 -0.78 118.68 127.51 3d50 s LEU 889 Ca 0.03 -1.31 -0.24 0.00 -0.22 0.00 0.00 54.13 52.39 3d50 s LEU 889 Cb -0.04 -2.15 -0.07 0.00 0.50 0.00 0.00 46.19 44.43 3d50 s LEU 889 CO -0.00 -0.61 0.73 -1.00 -1.32 0.00 0.00 176.35 174.15 3d50 s HIS 890 N 1.61 3.86 0.10 5.38 3.76 0.27 -4.91 115.29 125.36 3d50 s HIS 890 Ca 0.04 1.53 0.09 0.00 -0.15 0.00 0.00 55.06 56.57 3d50 s HIS 890 Cb -0.24 -2.72 -0.03 0.00 1.11 0.00 0.00 32.58 30.70 3d50 s HIS 890 CO 0.06 0.49 -0.22 0.96 -0.85 0.00 0.00 174.74 175.18 3d50 s ILE 891 N -0.96 1.84 0.15 0.60 -4.36 -1.26 -0.90 121.20 116.31 3d50 s ILE 891 Ca 0.35 -1.53 -0.11 0.00 -0.26 0.00 0.00 60.65 59.10 3d50 s ILE 891 Cb -0.22 -1.65 0.00 0.00 1.25 0.00 0.00 42.46 41.85 3d50 s ILE 891 CO 0.24 0.04 0.31 -0.31 0.24 0.00 0.00 174.94 175.46 3d50 s TYR 892 N -1.06 0.21 0.06 1.37 1.51 0.39 -1.37 117.35 118.46 3d50 s TYR 892 Ca 0.08 -0.58 0.09 0.00 -1.01 0.00 0.00 57.07 55.65 3d50 s TYR 892 Cb -0.10 0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.76 3d50 s TYR 892 CO 0.04 -0.71 -0.25 1.03 -1.11 0.00 0.00 175.55 174.56 3d50 s ARG 893 N -3.91 1.59 -0.19 -0.62 1.81 -0.64 -1.17 118.95 115.82 3d50 s ARG 893 Ca 0.12 -1.10 0.01 0.00 -1.72 0.00 0.00 55.73 53.04 3d50 s ARG 893 Cb 0.03 -1.80 0.04 0.00 -0.45 0.00 0.00 34.95 32.77 3d50 s ARG 893 CO -0.04 0.46 -0.12 -1.17 -0.68 0.00 0.00 175.30 173.74 3d50 s LEU 894 N -1.36 2.28 -0.28 2.53 2.96 -0.86 -1.01 118.68 122.93 3d50 s LEU 894 Ca 0.11 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 53.20 3d50 s LEU 894 Cb -0.10 -1.29 0.07 0.00 0.50 0.00 0.00 46.19 45.37 3d50 s LEU 894 CO 0.03 -0.12 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.19 3d50 s VAL 895 N 1.37 2.26 -0.17 1.68 1.01 -0.19 -3.61 120.40 122.75 3d50 s VAL 895 Ca -0.00 -1.78 -0.15 0.00 0.00 0.00 0.00 61.98 60.05 3d50 s VAL 895 Cb -0.16 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3d50 s VAL 895 CO -0.09 -0.17 0.34 -0.22 0.00 0.00 0.00 175.10 174.96 3d50 s LEU 896 N 1.07 4.22 0.02 3.92 2.96 -1.26 -0.07 118.68 129.55 3d50 s LEU 896 Ca -0.04 0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 54.38 3d50 s LEU 896 Cb -0.20 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 3d50 s LEU 896 CO -0.05 0.04 0.02 -1.61 -1.32 0.00 0.00 176.35 173.43 3d50 s GLU 897 N 0.71 0.43 -0.09 1.98 2.02 -0.18 -5.02 118.70 118.55 3d50 s GLU 897 Ca 0.18 -0.68 -0.18 0.00 0.02 0.00 0.00 54.97 54.31 3d50 s GLU 897 Cb -0.14 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.21 3d50 s GLU 897 CO 0.06 -0.09 0.48 0.15 0.02 0.00 0.00 175.26 175.88 3d50 s LYS 898 N -1.97 4.29 0.00 1.61 -0.14 -1.26 -1.03 119.74 121.24 3d50 s LYS 898 Ca -0.11 0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.98 3d50 s LYS 898 Cb -0.06 -3.40 0.00 0.00 -1.68 0.00 0.00 37.83 32.69 3d50 s LYS 898 CO -0.02 0.25 0.60 1.33 -0.76 0.00 0.00 175.35 176.75 3d50 n VAL 899 N 3.34 0.36 0.26 3.17 0.24 0.44 -4.76 118.33 121.38 3d50 n VAL 899 Ca -0.08 -0.52 0.12 0.00 -2.04 0.00 0.00 64.34 61.82 3d50 n VAL 899 Cb 0.52 0.97 0.70 0.00 -1.47 0.00 0.00 33.84 34.55 3d50 n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3d50 h ASN 900 N 0.00 0.00 0.65 -1.34 -1.07 -1.59 -2.21 115.58 110.01 3d50 h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3d50 h ASN 900 Cb 0.43 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.68 3d50 h ASN 900 CO 0.00 0.13 -0.25 0.59 0.07 0.00 0.00 177.43 177.97 3d50 n ASN 901 N -3.73 0.33 -4.76 6.14 3.02 -1.26 -4.92 115.26 110.07 3d50 n ASN 901 Ca -0.02 -0.05 -0.39 0.00 -0.03 0.00 0.00 54.58 54.08 3d50 n ASN 901 Cb 0.24 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 3d50 n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d50 s VAL 903 N -1.30 4.12 0.28 0.00 1.01 0.21 -4.99 120.40 119.74 3d50 s VAL 903 Ca 0.48 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.93 3d50 s VAL 903 Cb -0.29 -4.70 -0.03 0.00 0.00 0.00 0.00 36.38 31.36 3d50 s VAL 903 CO 0.37 -1.39 0.26 -0.13 0.00 0.00 0.00 175.10 174.20 3d50 s ARG 904 N 4.65 2.92 0.89 2.72 0.52 -1.26 -4.46 118.95 124.93 3d50 s ARG 904 Ca 0.34 -1.10 -0.10 0.00 -0.52 0.00 0.00 55.73 54.35 3d50 s ARG 904 Cb -0.11 -2.58 0.13 0.00 0.52 0.00 0.00 34.95 32.91 3d50 s ARG 904 CO 0.19 0.29 1.13 -2.14 0.02 0.00 0.00 175.30 174.79 3d50 s PRO 905 N -3.92 1.27 0.94 3.54 0.02 -1.26 -4.90 135.00 130.69 3d50 s PRO 905 Ca 0.36 1.43 -0.12 0.00 0.02 0.00 0.00 61.00 62.69 3d50 s PRO 905 Cb -0.07 -1.76 0.16 0.00 0.02 0.00 0.00 34.50 32.84 3d50 s PRO 905 CO 0.26 -2.42 1.11 -1.54 -0.33 0.00 0.00 177.00 174.08 3d50 s SER 906 N -2.85 3.14 0.50 2.53 1.04 -1.26 -4.90 113.70 111.90 3d50 s SER 906 Ca 0.65 1.13 0.16 0.00 0.48 0.00 0.00 55.95 58.37 3d50 s SER 906 Cb -0.21 -1.76 1.22 0.00 0.10 0.00 0.00 66.02 65.36 3d50 s SER 906 CO 0.58 -2.80 2.12 0.11 0.98 0.00 0.00 173.24 174.23 3d50 h LYS 907 N -1.66 0.08 -0.00 4.02 1.57 -2.00 -0.79 116.57 117.78 3d50 h LYS 907 Ca -0.52 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3d50 h LYS 907 Cb 1.32 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3d50 h LYS 907 CO 0.59 0.05 -0.13 1.28 -0.57 0.00 0.00 179.45 180.67 3d50 n LEU 908 N -4.52 0.44 -4.74 2.94 4.77 -1.26 -4.89 117.00 109.74 3d50 n LEU 908 Ca -0.01 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 3d50 n LEU 908 Cb 0.14 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 3d50 n LEU 908 CO 0.34 0.08 0.77 -2.28 -1.33 0.00 0.00 177.39 174.98 3d50 s HIS 909 N -2.56 3.64 -2.13 -1.77 2.46 -0.31 -4.95 115.29 109.68 3d50 s HIS 909 Ca 0.26 1.67 0.28 0.00 0.47 0.00 0.00 55.06 57.74 3d50 s HIS 909 Cb 0.20 -3.24 1.16 0.00 -0.13 0.00 0.00 32.58 30.58 3d50 s HIS 909 CO 0.50 -0.44 1.81 -0.35 -2.47 0.00 0.00 174.74 173.78 3d50 n PRO 910 N 2.03 1.24 -4.01 2.88 -0.04 -1.26 -4.91 135.00 130.92 3d50 n PRO 910 Ca 0.01 -0.60 -0.22 0.00 -0.04 0.00 0.00 63.50 62.65 3d50 n PRO 910 Cb 0.46 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 3d50 n PRO 910 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d50 s ALA 911 N -2.17 3.61 0.25 0.55 0.00 -1.26 -1.07 121.76 121.65 3d50 s ALA 911 Ca 0.35 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.63 3d50 s ALA 911 Cb 0.21 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 3d50 s ALA 911 CO 0.40 0.07 0.07 0.20 0.00 0.00 0.00 175.76 176.50 3d50 s GLY 912 N -3.89 1.66 0.02 0.00 0.00 -0.77 -4.75 107.32 99.59 3d50 s GLY 912 Ca 0.38 -1.83 0.01 0.00 0.00 0.00 0.00 44.72 43.28 3d50 s GLY 912 CO 0.24 -1.60 -0.05 -0.19 0.00 0.00 0.00 173.10 171.50 3d50 s TYR 913 N -3.70 0.44 0.74 1.90 2.02 -1.26 -3.96 117.35 113.52 3d50 s TYR 913 Ca 0.35 -0.31 -0.11 0.00 -0.37 0.00 0.00 57.07 56.63 3d50 s TYR 913 Cb 0.07 -0.27 0.04 0.00 -0.40 0.00 0.00 41.96 41.40 3d50 s TYR 913 CO 0.12 -0.07 1.08 -0.51 -1.57 0.00 0.00 175.55 174.60 3d50 s LEU 914 N -0.90 3.03 0.69 -1.29 1.43 -1.26 -4.66 118.68 115.71 3d50 s LEU 914 Ca -0.06 1.68 -0.06 0.00 -1.03 0.00 0.00 54.13 54.66 3d50 s LEU 914 Cb -0.06 -4.45 0.06 0.00 0.03 0.00 0.00 46.19 41.77 3d50 s LEU 914 CO -0.00 -1.76 0.99 0.42 0.23 0.00 0.00 176.35 176.23 3d50 s THR 915 N -2.99 2.34 0.18 5.49 -4.23 -1.26 -1.16 115.64 114.01 3d50 s THR 915 Ca 0.60 -0.30 -0.13 0.00 -1.18 0.00 0.00 61.69 60.68 3d50 s THR 915 Cb -0.15 -3.01 0.09 0.00 1.34 0.00 0.00 72.50 70.76 3d50 s THR 915 CO 0.55 -0.01 1.76 -1.28 -0.54 0.00 0.00 174.62 175.10 3d50 h SER 916 N -0.52 0.23 -0.85 3.99 0.87 -1.94 -0.61 113.55 114.71 3d50 h SER 916 Ca -0.44 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 3d50 h SER 916 Cb 1.31 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 3d50 h SER 916 CO 0.60 0.16 0.48 0.00 -0.53 0.00 0.00 176.83 177.54 3d50 h ALA 917 N 1.32 1.24 -0.16 6.23 0.00 -1.99 -1.01 119.26 124.88 3d50 h ALA 917 Ca 0.23 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3d50 h ALA 917 Cb 0.22 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3d50 h ALA 917 CO -0.22 0.63 -0.54 0.00 0.00 0.00 0.00 179.25 179.12 3d50 h ALA 918 N 1.34 0.29 -0.25 0.00 0.00 -1.85 -0.87 119.26 117.91 3d50 h ALA 918 Ca 0.30 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3d50 h ALA 918 Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3d50 h ALA 918 CO -0.05 0.49 0.15 1.25 0.00 0.00 0.00 179.25 181.09 3d50 h HIS 919 N 0.33 0.29 -0.53 0.00 2.76 -0.95 -0.64 115.15 116.41 3d50 h HIS 919 Ca -0.02 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 3d50 h HIS 919 Cb 1.17 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 30.01 3d50 h HIS 919 CO 0.10 0.17 0.23 0.87 -1.30 0.00 0.00 177.93 178.00 3d50 h LYS 920 N 0.31 0.75 -0.54 5.26 1.57 -1.09 -0.98 116.57 121.85 3d50 h LYS 920 Ca 0.10 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3d50 h LYS 920 Cb -0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3d50 h LYS 920 CO -0.04 0.60 0.10 0.00 -0.57 0.00 0.00 179.45 179.53 3d50 h ALA 921 N 1.51 0.71 -0.42 3.86 0.00 -0.89 -0.76 119.26 123.28 3d50 h ALA 921 Ca 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3d50 h ALA 921 Cb 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3d50 h ALA 921 CO -0.02 0.45 0.26 1.03 0.00 0.00 0.00 179.25 180.97 3d50 h SER 922 N 0.77 0.44 -0.85 0.00 0.87 -0.48 -2.55 113.55 111.76 3d50 h SER 922 Ca 0.16 -0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.79 3d50 h SER 922 Cb 0.39 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 3d50 h SER 922 CO 0.01 0.32 0.55 1.56 -0.53 0.00 0.00 176.83 178.74 3d50 h GLN 923 N 0.54 0.88 0.00 2.24 4.20 -0.64 -1.20 115.11 121.13 3d50 h GLN 923 Ca 0.16 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 3d50 h GLN 923 Cb -0.03 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 3d50 h GLN 923 CO -0.05 0.58 -0.18 0.66 -0.67 0.00 0.00 178.83 179.18 3d50 h SER 924 N 0.91 0.00 0.09 1.46 4.64 -0.74 0.24 113.55 120.15 3d50 h SER 924 Ca 0.37 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.47 3d50 h SER 924 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3d50 h SER 924 CO -0.14 0.18 -1.11 -0.07 -0.87 0.00 0.00 176.83 174.82 3d50 h LEU 925 N 0.00 0.31 0.18 5.97 3.38 -1.15 -3.34 115.31 120.66 3d50 h LEU 925 Ca -0.00 -0.85 -0.31 0.00 0.09 0.00 0.00 57.88 56.81 3d50 h LEU 925 Cb 0.35 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.02 3d50 h LEU 925 CO 0.02 1.49 -1.44 -0.07 0.09 0.00 0.00 178.44 178.53 3d50 h LEU 926 N -0.48 0.59 -5.97 1.67 3.38 -1.09 -3.41 115.31 110.00 3d50 h LEU 926 Ca -0.24 -0.68 -0.55 0.00 0.09 0.00 0.00 57.88 56.50 3d50 h LEU 926 Cb 1.60 -0.19 -0.40 0.00 0.09 0.00 0.00 40.66 41.76 3d50 h LEU 926 CO 0.04 1.55 -1.01 0.47 0.09 0.00 0.00 178.44 179.58 3d50 n ASP 927 N -3.59 1.31 -4.67 -0.43 8.00 0.82 -4.63 116.55 113.36 3d50 n ASP 927 Ca -0.15 -2.98 -0.29 0.00 0.71 0.00 0.00 54.79 52.08 3d50 n ASP 927 Cb 1.06 -0.63 0.17 0.00 -0.02 0.00 0.00 41.12 41.70 3d50 n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3d50 s PRO 928 N -1.91 0.57 0.42 -0.24 0.04 -1.25 -4.67 135.00 127.96 3d50 s PRO 928 Ca 0.38 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 61.88 3d50 s PRO 928 Cb 0.22 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.93 3d50 s PRO 928 CO -0.09 -2.68 1.31 1.28 0.04 0.00 0.00 177.00 176.86 3d50 n LEU 929 N -4.17 4.25 -4.83 -3.56 4.77 -1.26 -4.76 117.00 107.44 3d50 n LEU 929 Ca 0.06 1.12 -0.37 0.00 -0.03 0.00 0.00 56.01 56.78 3d50 n LEU 929 Cb 0.56 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.07 3d50 n LEU 929 CO 0.56 -0.53 0.22 -1.81 -1.33 0.00 0.00 177.39 174.51 3d50 s ASP 930 N -0.51 6.94 -0.11 -1.43 1.01 -0.26 -4.89 116.67 117.42 3d50 s ASP 930 Ca 0.61 1.14 0.02 0.00 0.71 0.00 0.00 52.55 55.03 3d50 s ASP 930 Cb -0.50 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.11 3d50 s ASP 930 CO 0.58 0.23 -0.17 -0.54 0.21 0.00 0.00 175.17 175.48 3d50 s LYS 931 N -1.38 3.13 -0.04 8.23 1.02 -1.26 -0.83 119.74 128.61 3d50 s LYS 931 Ca 0.31 -0.76 0.06 0.00 0.02 0.00 0.00 55.97 55.60 3d50 s LYS 931 Cb -0.17 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3d50 s LYS 931 CO 0.18 0.27 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.59 3d50 s PHE 932 N 0.18 2.13 -0.20 3.18 0.40 0.38 -1.32 117.98 122.74 3d50 s PHE 932 Ca -0.10 -0.54 -0.04 0.00 -0.60 0.00 0.00 56.93 55.65 3d50 s PHE 932 Cb -0.16 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.96 3d50 s PHE 932 CO 0.06 -0.13 -0.02 0.42 0.70 0.00 0.00 175.22 176.25 3d50 s ILE 933 N -0.28 3.75 0.20 0.64 1.01 -0.32 -1.25 121.20 124.96 3d50 s ILE 933 Ca 0.02 -0.38 -0.32 0.00 0.00 0.00 0.00 60.65 59.96 3d50 s ILE 933 Cb -0.11 -2.69 -0.12 0.00 0.01 0.00 0.00 42.46 39.54 3d50 s ILE 933 CO 0.01 0.43 1.70 0.33 0.00 0.00 0.00 174.94 177.42 3d50 n PHE 934 N 4.33 2.69 0.11 3.97 7.35 -0.56 -1.95 117.46 133.41 3d50 n PHE 934 Ca -0.17 0.07 0.06 0.00 -0.76 0.00 0.00 57.45 56.65 3d50 n PHE 934 Cb 0.52 -2.66 0.01 0.00 0.35 0.00 0.00 39.48 37.70 3d50 n PHE 934 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3d50 h ALA 935 N 6.60 0.68 -4.57 3.13 0.00 -1.30 -3.46 119.26 120.35 3d50 h ALA 935 Ca -0.43 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 53.93 3d50 h ALA 935 Cb 1.21 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3d50 h ALA 935 CO 0.94 0.44 -0.08 0.39 0.00 0.00 0.00 179.25 180.95 3d50 n GLU 936 N -2.97 1.23 0.12 0.00 1.02 -1.26 -5.05 120.64 113.73 3d50 n GLU 936 Ca -0.02 -1.02 -0.21 0.00 -0.02 0.00 0.00 57.16 55.89 3d50 n GLU 936 Cb 0.68 0.10 -0.14 0.00 -0.02 0.00 0.00 31.44 32.06 3d50 n GLU 936 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3d50 h ASN 937 N 0.19 0.70 -3.60 1.62 2.35 -1.98 -3.45 115.58 111.41 3d50 h ASN 937 Ca -0.10 -0.72 -0.41 0.00 -0.55 0.00 0.00 56.30 54.52 3d50 h ASN 937 Cb 0.38 -0.23 -0.32 0.00 0.05 0.00 0.00 38.32 38.20 3d50 h ASN 937 CO 0.16 1.55 -0.78 -0.70 -1.65 0.00 0.00 177.43 176.01 3d50 s GLU 938 N -2.74 0.89 -0.65 0.81 2.12 -1.26 -4.97 118.70 112.90 3d50 s GLU 938 Ca -0.07 -0.19 -0.10 0.00 0.36 0.00 0.00 54.97 54.96 3d50 s GLU 938 Cb 0.06 -0.85 0.17 0.00 0.26 0.00 0.00 34.13 33.76 3d50 s GLU 938 CO 0.92 0.00 0.55 -0.46 -0.54 0.00 0.00 175.26 175.73 3d50 s TRP 939 N 0.57 3.53 0.16 5.30 -0.00 -1.26 -5.07 118.94 122.17 3d50 s TRP 939 Ca -0.08 -2.04 -0.30 0.00 -0.00 0.00 0.00 56.10 53.67 3d50 s TRP 939 Cb -0.12 -3.59 -0.07 0.00 -0.00 0.00 0.00 33.47 29.69 3d50 s TRP 939 CO 0.01 -0.96 1.12 0.42 -0.00 0.00 0.00 176.95 177.54 3d50 s ILE 940 N 0.60 3.89 0.00 5.86 1.09 -1.26 -3.45 121.20 127.93 3d50 s ILE 940 Ca 0.13 1.57 0.00 0.00 -1.10 0.00 0.00 60.65 61.24 3d50 s ILE 940 Cb -0.19 -4.00 0.00 0.00 -1.06 0.00 0.00 42.46 37.21 3d50 s ILE 940 CO -0.04 0.24 0.00 0.61 -0.10 0.00 0.00 174.94 175.65 3d50 n GLY 941 N 2.27 0.73 3.71 6.18 0.00 -1.26 -4.83 105.19 111.98 3d50 n GLY 941 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3d50 n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d50 n ALA 942 N -0.34 1.40 -2.53 4.61 0.00 -1.22 -0.41 120.51 122.02 3d50 n ALA 942 Ca 0.00 0.35 -0.26 0.00 0.00 0.00 0.00 53.44 53.52 3d50 n ALA 942 Cb 0.00 -2.27 -0.10 0.00 0.00 0.00 0.00 19.45 17.08 3d50 n ALA 942 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3d50 s GLN 943 N -1.94 1.92 0.25 0.00 -0.21 0.58 -4.85 119.66 115.41 3d50 s GLN 943 Ca 0.56 -1.37 0.13 0.00 0.02 0.00 0.00 55.36 54.70 3d50 s GLN 943 Cb -0.55 -2.06 0.05 0.00 1.00 0.00 0.00 33.01 31.45 3d50 s GLN 943 CO 0.62 0.41 1.43 0.78 -2.12 0.00 0.00 175.29 176.41 3d50 h GLY 944 N 2.87 0.00 -3.70 3.09 0.00 -1.92 -3.43 103.07 99.99 3d50 h GLY 944 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 3d50 h GLY 944 CO 0.53 0.00 0.30 1.62 0.00 0.00 0.00 176.54 178.99 3d50 s GLN 945 N -2.96 1.01 -0.01 4.80 0.74 -1.26 -1.16 119.66 120.82 3d50 s GLN 945 Ca 0.03 -0.04 0.01 0.00 0.05 0.00 0.00 55.36 55.40 3d50 s GLN 945 Cb 0.09 0.47 0.01 0.00 1.10 0.00 0.00 33.01 34.67 3d50 s GLN 945 CO 0.76 -0.37 -0.02 0.12 -0.55 0.00 0.00 175.29 175.22 3d50 s PHE 946 N -2.17 0.30 0.00 1.67 5.36 -0.01 -4.87 117.98 118.27 3d50 s PHE 946 Ca -0.04 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 3d50 s PHE 946 Cb -0.00 -0.25 0.00 0.00 -0.34 0.00 0.00 43.02 42.42 3d50 s PHE 946 CO -0.00 -0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.13 3d50 n GLY 947 N 3.30 0.93 0.32 13.12 0.00 -1.26 -0.87 105.19 120.73 3d50 n GLY 947 Ca -0.16 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.01 3d50 n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d50 h GLY 948 N 0.00 0.00 -2.48 -0.02 0.00 -1.89 -0.41 103.07 98.27 3d50 h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d50 h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3d50 n ASP 949 N -3.95 3.76 -4.75 0.19 5.75 -1.26 -4.93 116.55 111.35 3d50 n ASP 949 Ca 0.00 -1.99 -0.41 0.00 -0.01 0.00 0.00 54.79 52.38 3d50 n ASP 949 Cb 0.25 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 3d50 n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3d50 s HIS 950 N -1.09 3.28 0.39 2.11 3.76 -0.16 -4.99 115.29 118.59 3d50 s HIS 950 Ca 0.44 1.39 -0.27 0.00 -0.15 0.00 0.00 55.06 56.47 3d50 s HIS 950 Cb 0.24 -3.54 -0.10 0.00 1.11 0.00 0.00 32.58 30.28 3d50 s HIS 950 CO 0.31 -1.54 1.43 -2.14 -0.85 0.00 0.00 174.74 171.95 3d50 s PRO 951 N -0.88 4.03 -0.57 8.40 0.02 -1.26 -4.64 135.00 140.09 3d50 s PRO 951 Ca 0.52 2.45 -0.16 0.00 0.02 0.00 0.00 61.00 63.82 3d50 s PRO 951 Cb -0.36 -2.89 0.13 0.00 0.02 0.00 0.00 34.50 31.40 3d50 s PRO 951 CO 0.43 -0.55 0.55 0.45 -0.33 0.00 0.00 177.00 177.55 3d50 s SER 952 N -0.33 6.24 0.67 2.53 0.15 -1.26 -4.67 113.70 117.03 3d50 s SER 952 Ca 0.54 -1.83 -0.12 0.00 0.70 0.00 0.00 55.95 55.25 3d50 s SER 952 Cb -0.44 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 3d50 s SER 952 CO 0.59 -0.87 1.05 0.00 1.20 0.00 0.00 173.24 175.22 3d50 s ALA 953 N 1.61 2.75 0.38 5.45 0.00 0.25 -2.96 121.76 129.23 3d50 s ALA 953 Ca 0.05 0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.86 3d50 s ALA 953 Cb -0.28 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.56 3d50 s ALA 953 CO 0.02 -1.08 1.08 -2.13 0.00 0.00 0.00 175.76 173.65 3d50 n ARG 954 N -2.91 1.53 0.26 0.00 0.63 -1.26 -4.71 116.66 110.21 3d50 n ARG 954 Ca 0.07 0.54 0.17 0.00 -0.92 0.00 0.00 57.85 57.72 3d50 n ARG 954 Cb 0.53 -2.07 0.91 0.00 0.45 0.00 0.00 32.46 32.28 3d50 n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3d50 h GLU 955 N 1.85 0.00 -0.00 -0.14 4.11 -1.96 -0.54 114.58 117.90 3d50 h GLU 955 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3d50 h GLU 955 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3d50 h GLU 955 CO 0.59 0.00 -0.21 -0.40 0.07 0.00 0.00 179.01 179.06 3d50 n ASP 956 N -3.68 0.24 -4.78 3.06 5.75 -1.26 -4.84 116.55 111.04 3d50 n ASP 956 Ca -0.01 0.11 -0.38 0.00 -0.01 0.00 0.00 54.79 54.51 3d50 n ASP 956 Cb 0.21 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.07 3d50 n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3d50 s LEU 957 N -2.96 4.39 0.11 -2.12 2.96 -0.21 -1.23 118.68 119.62 3d50 s LEU 957 Ca 0.14 0.93 0.07 0.00 -0.22 0.00 0.00 54.13 55.05 3d50 s LEU 957 Cb 0.18 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 3d50 s LEU 957 CO 0.59 0.17 -0.17 -0.62 -1.32 0.00 0.00 176.35 175.00 3d50 s ASP 958 N -0.28 2.16 -0.87 3.68 2.15 0.14 -4.77 116.67 118.87 3d50 s ASP 958 Ca 0.25 -0.72 -0.17 0.00 0.43 0.00 0.00 52.55 52.35 3d50 s ASP 958 Cb -0.16 -0.10 0.17 0.00 -0.30 0.00 0.00 42.92 42.53 3d50 s ASP 958 CO 0.13 -0.04 0.94 -0.69 -0.17 0.00 0.00 175.17 175.33 3d50 s VAL 959 N -1.55 5.14 0.33 1.11 1.01 -1.26 -1.12 120.40 124.06 3d50 s VAL 959 Ca 0.06 -1.96 0.05 0.00 0.00 0.00 0.00 61.98 60.12 3d50 s VAL 959 Cb -0.08 -4.62 0.13 0.00 0.00 0.00 0.00 36.38 31.80 3d50 s VAL 959 CO 0.04 -1.27 1.83 0.28 0.00 0.00 0.00 175.10 175.98 3d50 h SER 960 N 8.37 0.44 -3.60 3.32 0.02 -1.03 -3.43 113.55 117.64 3d50 h SER 960 Ca 0.11 -0.11 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 3d50 h SER 960 Cb 1.03 -0.12 -0.29 0.00 0.14 0.00 0.00 62.40 63.17 3d50 h SER 960 CO 0.94 0.59 -0.57 -0.69 -1.14 0.00 0.00 176.83 175.96 3d50 s VAL 961 N -4.76 -0.02 -0.13 2.27 1.01 -1.13 -4.96 120.40 112.68 3d50 s VAL 961 Ca -0.07 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 3d50 s VAL 961 Cb 0.15 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.32 3d50 s VAL 961 CO 0.77 0.04 -0.09 -0.32 0.00 0.00 0.00 175.10 175.49 3d50 s MET 962 N 0.63 1.71 -0.04 2.72 0.00 -1.26 -0.99 119.30 122.08 3d50 s MET 962 Ca -0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 55.69 55.27 3d50 s MET 962 Cb -0.06 -1.76 0.03 0.00 0.00 0.00 0.00 34.83 33.03 3d50 s MET 962 CO -0.03 -0.28 0.06 0.50 0.00 0.00 0.00 175.02 175.27 3d50 s ARG 963 N 1.64 -0.07 0.11 4.11 3.52 0.19 -3.39 118.95 125.06 3d50 s ARG 963 Ca 0.05 0.37 -0.31 0.00 -0.13 0.00 0.00 55.73 55.71 3d50 s ARG 963 Cb -0.13 -0.51 -0.09 0.00 -1.56 0.00 0.00 34.95 32.67 3d50 s ARG 963 CO -0.09 -0.33 1.53 0.50 -0.81 0.00 0.00 175.30 176.11 3d50 s ARG 964 N 2.14 4.24 0.00 5.12 3.52 -1.26 -0.45 118.95 132.26 3d50 s ARG 964 Ca 0.05 2.25 0.20 0.00 -0.13 0.00 0.00 55.73 58.10 3d50 s ARG 964 Cb -0.12 -3.32 -0.09 0.00 -1.56 0.00 0.00 34.95 29.85 3d50 s ARG 964 CO -0.03 -0.60 0.94 1.28 -0.81 0.00 0.00 175.30 176.08 3d50 n LEU 965 N 4.50 1.51 -4.39 -0.88 4.77 0.99 -4.91 117.00 118.59 3d50 n LEU 965 Ca 0.14 -0.66 -0.29 0.00 -0.03 0.00 0.00 56.01 55.17 3d50 n LEU 965 Cb 0.40 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 3d50 n LEU 965 CO 0.61 0.31 -0.56 0.42 -1.33 0.00 0.00 177.39 176.83 3d50 s THR 966 N -2.52 2.28 0.81 -5.08 -4.23 -1.23 -4.94 115.64 100.74 3d50 s THR 966 Ca 0.13 -1.66 -0.12 0.00 -1.18 0.00 0.00 61.69 58.86 3d50 s THR 966 Cb 0.16 -1.99 0.08 0.00 1.34 0.00 0.00 72.50 72.09 3d50 s THR 966 CO 0.63 0.15 1.18 -0.54 -0.54 0.00 0.00 174.62 175.51 3d50 s LYS 967 N -1.89 1.92 0.47 3.99 1.02 -1.26 -4.88 119.74 119.11 3d50 s LYS 967 Ca 0.14 0.10 0.26 0.00 0.02 0.00 0.00 55.97 56.49 3d50 s LYS 967 Cb -0.10 -1.95 1.09 0.00 -0.52 0.00 0.00 37.83 36.35 3d50 s LYS 967 CO 0.05 -1.63 1.90 0.66 -0.92 0.00 0.00 175.35 175.41 3d50 h SER 968 N -1.08 0.00 0.88 2.83 4.64 -1.96 -2.81 113.55 116.05 3d50 h SER 968 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3d50 h SER 968 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3d50 h SER 968 CO 0.65 0.18 0.00 -1.54 -0.87 0.00 0.00 176.83 175.25 3d50 n SER 969 N -3.40 0.42 -4.68 4.97 3.41 -1.26 -4.77 113.62 108.30 3d50 n SER 969 Ca -0.00 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 3d50 n SER 969 Cb 0.38 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 3d50 n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d50 s ALA 970 N -3.13 3.62 0.16 7.33 0.00 -1.06 -4.93 121.76 123.75 3d50 s ALA 970 Ca 0.08 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 52.86 3d50 s ALA 970 Cb 0.12 -3.66 0.08 0.00 0.00 0.00 0.00 23.12 19.65 3d50 s ALA 970 CO 0.43 -1.10 1.75 -0.22 0.00 0.00 0.00 175.76 176.62 3d50 h LYS 971 N 8.40 0.29 -4.61 0.00 3.64 -1.91 -3.37 116.57 119.01 3d50 h LYS 971 Ca -0.39 -0.02 -0.70 0.00 -1.27 0.00 0.00 60.65 58.27 3d50 h LYS 971 Cb 1.18 -0.07 -0.20 0.00 -0.41 0.00 0.00 32.23 32.74 3d50 h LYS 971 CO 0.93 0.19 -0.45 0.99 -2.27 0.00 0.00 179.45 178.84 3d50 s THR 972 N -6.15 5.27 0.30 1.00 2.01 -1.26 -1.81 115.64 114.99 3d50 s THR 972 Ca -0.13 -0.44 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 3d50 s THR 972 Cb 0.12 -3.83 -0.10 0.00 0.01 0.00 0.00 72.50 68.71 3d50 s THR 972 CO 0.72 -0.17 0.92 -1.10 -0.69 0.00 0.00 174.62 174.29 3d50 s GLN 973 N 1.71 4.59 -0.02 4.92 -1.52 0.25 -4.83 119.66 124.76 3d50 s GLN 973 Ca 0.06 1.30 0.04 0.00 -1.95 0.00 0.00 55.36 54.81 3d50 s GLN 973 Cb -0.18 -2.87 -0.01 0.00 -0.22 0.00 0.00 33.01 29.73 3d50 s GLN 973 CO 0.10 0.33 -0.14 1.03 -0.25 0.00 0.00 175.29 176.36 3d50 s ARG 974 N -1.92 1.26 -0.08 2.91 0.52 -1.26 -0.02 118.95 120.36 3d50 s ARG 974 Ca 0.48 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.22 3d50 s ARG 974 Cb -0.19 -1.17 0.02 0.00 0.52 0.00 0.00 34.95 34.12 3d50 s ARG 974 CO 0.24 0.24 -0.11 0.08 0.02 0.00 0.00 175.30 175.78 3d50 s VAL 975 N -0.10 1.11 -0.05 3.52 1.01 -0.25 -0.00 120.40 125.64 3d50 s VAL 975 Ca 0.01 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 3d50 s VAL 975 Cb -0.08 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3d50 s VAL 975 CO 0.00 0.36 0.28 -0.83 0.00 0.00 0.00 175.10 174.91 3d50 s GLY 976 N 1.02 2.31 -0.02 4.51 0.00 0.41 -0.81 107.32 114.75 3d50 s GLY 976 Ca -0.08 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.23 3d50 s GLY 976 CO -0.01 -0.15 -0.10 -0.19 0.00 0.00 0.00 173.10 172.66 3d50 s TYR 977 N -1.09 0.96 -0.22 1.90 1.51 0.36 -0.64 117.35 120.12 3d50 s TYR 977 Ca 0.21 -0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 56.01 3d50 s TYR 977 Cb -0.14 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.05 3d50 s TYR 977 CO 0.10 -0.05 -0.01 0.08 -1.11 0.00 0.00 175.55 174.56 3d50 s VAL 978 N -0.08 3.74 -0.19 0.71 1.01 -0.16 -0.90 120.40 124.53 3d50 s VAL 978 Ca 0.01 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3d50 s VAL 978 Cb -0.06 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3d50 s VAL 978 CO -0.00 0.41 0.03 -0.76 0.00 0.00 0.00 175.10 174.77 3d50 s LEU 979 N 1.35 3.47 -0.05 3.92 1.43 0.35 -0.32 118.68 128.83 3d50 s LEU 979 Ca 0.04 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 3d50 s LEU 979 Cb -0.15 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 3d50 s LEU 979 CO -0.00 0.10 -0.18 -2.28 0.23 0.00 0.00 176.35 174.23 3d50 s HIS 980 N 0.77 1.83 -0.14 0.29 5.65 -0.27 -1.34 115.29 122.07 3d50 s HIS 980 Ca 0.02 -0.58 0.02 0.00 0.25 0.00 0.00 55.06 54.77 3d50 s HIS 980 Cb -0.14 -1.24 0.01 0.00 -1.18 0.00 0.00 32.58 30.03 3d50 s HIS 980 CO 0.02 -0.21 -0.21 0.50 -0.65 0.00 0.00 174.74 174.18 3d50 s ARG 981 N 0.15 3.05 0.07 2.88 3.52 -0.88 0.23 118.95 127.97 3d50 s ARG 981 Ca -0.07 -0.84 -0.01 0.00 -0.13 0.00 0.00 55.73 54.68 3d50 s ARG 981 Cb -0.13 -2.45 0.01 0.00 -1.56 0.00 0.00 34.95 30.83 3d50 s ARG 981 CO 0.03 0.00 0.09 -2.37 -0.81 0.00 0.00 175.30 172.25 3d50 n THR 982 N 4.03 0.00 -4.01 4.11 5.66 -0.36 0.07 114.28 123.77 3d50 n THR 982 Ca -0.20 -0.10 -0.25 0.00 -3.05 0.00 0.00 64.05 60.45 3d50 n THR 982 Cb 0.52 -1.63 -0.17 0.00 -1.55 0.00 0.00 70.33 67.50 3d50 n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3d50 s ASN 983 N -1.35 1.85 -0.02 1.09 2.47 -1.26 -3.57 114.94 114.15 3d50 s ASN 983 Ca 0.06 -0.24 -0.01 0.00 0.42 0.00 0.00 52.86 53.09 3d50 s ASN 983 Cb -0.00 -0.71 -0.04 0.00 -1.45 0.00 0.00 41.25 39.05 3d50 s ASN 983 CO 0.04 -0.10 0.06 -0.76 -3.72 0.00 0.00 177.10 172.61 3d50 s LEU 984 N 1.51 3.82 0.28 3.21 1.43 -1.26 -4.28 118.68 123.38 3d50 s LEU 984 Ca 0.00 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 3d50 s LEU 984 Cb -0.13 -2.16 -0.11 0.00 0.03 0.00 0.00 46.19 43.81 3d50 s LEU 984 CO -0.05 0.29 1.57 -0.04 0.23 0.00 0.00 176.35 178.35 3d50 s MET 985 N -1.57 4.15 -0.34 1.70 -1.94 -0.31 -4.98 119.30 116.01 3d50 s MET 985 Ca 0.21 2.52 -0.24 0.00 -1.71 0.00 0.00 55.69 56.46 3d50 s MET 985 Cb -0.12 -3.04 0.01 0.00 2.01 0.00 0.00 34.83 33.68 3d50 s MET 985 CO 0.11 -0.59 0.84 -0.65 -0.01 0.00 0.00 175.02 174.72 3d50 s GLN 986 N -0.40 3.88 -0.06 2.03 -1.52 -1.26 -4.63 119.66 117.70 3d50 s GLN 986 Ca 0.63 0.54 0.09 0.00 -1.95 0.00 0.00 55.36 54.67 3d50 s GLN 986 Cb -0.47 -3.77 0.14 0.00 -0.22 0.00 0.00 33.01 28.70 3d50 s GLN 986 CO 0.46 -0.80 1.04 0.00 -0.25 0.00 0.00 175.29 175.74 3d50 n GLY 988 N -0.88 0.75 3.60 0.00 0.00 -1.26 -4.64 105.19 102.76 3d50 n GLY 988 Ca 0.08 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 3d50 n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d50 s THR 989 N -2.00 4.91 0.25 2.61 2.01 -1.26 -4.94 115.64 117.22 3d50 s THR 989 Ca 0.00 0.95 -0.04 0.00 0.31 0.00 0.00 61.69 62.92 3d50 s THR 989 Cb 0.00 -4.03 0.22 0.00 0.01 0.00 0.00 72.50 68.70 3d50 s THR 989 CO 0.00 -0.15 1.78 -0.65 -0.69 0.00 0.00 174.62 174.90 3d50 h PRO 990 N 8.15 0.63 -1.67 4.92 0.11 -2.05 -3.44 132.00 138.64 3d50 h PRO 990 Ca -0.26 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.69 3d50 h PRO 990 Cb 1.11 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.03 3d50 h PRO 990 CO 0.82 0.42 -0.11 -1.91 -0.21 0.00 0.00 178.00 177.00 3d50 n GLU 991 N -4.84 -1.15 0.00 1.05 2.13 -1.26 -4.88 120.64 111.68 3d50 n GLU 991 Ca 0.14 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.32 3d50 n GLU 991 Cb 0.35 -4.45 0.00 0.00 0.27 0.00 0.00 31.44 27.61 3d50 n GLU 991 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3d50 n GLU 992 N -1.37 3.63 -1.94 5.31 -0.58 -1.26 -4.97 120.64 119.45 3d50 n GLU 992 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3d50 n GLU 992 Cb 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.07 3d50 n GLU 992 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 3d50 n HIS 993 N 0.00 0.00 -4.19 -0.32 1.44 -1.26 -5.06 115.22 105.84 3d50 n HIS 993 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 3d50 n HIS 993 Cb 0.00 -0.62 -0.10 0.00 0.12 0.00 0.00 29.99 29.39 3d50 n HIS 993 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3d50 s THR 994 N -0.08 0.09 0.08 0.61 -4.23 -1.26 -5.07 115.64 105.77 3d50 s THR 994 Ca 0.00 -1.96 -0.21 0.00 -1.18 0.00 0.00 61.69 58.34 3d50 s THR 994 Cb 0.00 -2.31 -0.07 0.00 1.34 0.00 0.00 72.50 71.46 3d50 s THR 994 CO 0.00 -0.20 0.61 -1.10 -0.54 0.00 0.00 174.62 173.39 3d50 s GLN 995 N -4.10 4.28 0.24 3.99 -0.21 -1.16 -4.96 119.66 117.75 3d50 s GLN 995 Ca 0.32 0.81 -0.31 0.00 0.02 0.00 0.00 55.36 56.21 3d50 s GLN 995 Cb 0.07 -3.26 -0.11 0.00 1.00 0.00 0.00 33.01 30.71 3d50 s GLN 995 CO 0.08 0.58 1.64 0.21 -2.12 0.00 0.00 175.29 175.68 3d50 s LYS 996 N -0.96 4.14 -0.30 2.91 2.20 -1.26 -4.19 119.74 122.29 3d50 s LYS 996 Ca 0.31 2.56 -0.10 0.00 -0.36 0.00 0.00 55.97 58.37 3d50 s LYS 996 Cb -0.20 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 3d50 s LYS 996 CO 0.20 -0.68 0.15 -1.17 -0.36 0.00 0.00 175.35 173.50 3d50 s LEU 997 N 0.46 4.01 -0.46 5.43 2.96 -1.26 -4.90 118.68 124.91 3d50 s LEU 997 Ca 0.69 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 3d50 s LEU 997 Cb -0.48 -2.03 0.12 0.00 0.50 0.00 0.00 46.19 44.31 3d50 s LEU 997 CO 0.39 -0.14 0.30 -0.62 -1.32 0.00 0.00 176.35 174.96 3d50 s ASP 998 N 1.65 5.51 0.45 3.68 2.15 -1.26 -4.57 116.67 124.29 3d50 s ASP 998 Ca 0.06 -2.05 0.15 0.00 0.43 0.00 0.00 52.55 51.14 3d50 s ASP 998 Cb -0.17 -1.93 1.09 0.00 -0.30 0.00 0.00 42.92 41.62 3d50 s ASP 998 CO 0.07 -0.61 2.00 -0.37 -0.17 0.00 0.00 175.17 176.09 3d50 h VAL 999 N 6.14 0.89 0.00 1.11 -1.51 -1.95 -2.19 116.25 118.73 3d50 h VAL 999 Ca -0.16 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3d50 h VAL 999 Cb 1.05 0.53 -0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3d50 h VAL 999 CO 0.78 0.06 -0.00 0.00 -1.23 0.00 0.00 177.57 177.18 3d50 n HIS 1001N -3.57 0.93 -0.17 0.00 8.25 -0.83 -4.48 115.22 115.36 3d50 n HIS 1001Ca -0.03 -0.54 -0.03 0.00 -0.26 0.00 0.00 57.72 56.86 3d50 n HIS 1001Cb 0.08 -0.07 0.17 0.00 1.12 0.00 0.00 29.99 31.30 3d50 n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3d50 h LEU 1002N 3.50 0.84 -9.68 2.41 3.38 -1.42 -3.43 115.31 110.92 3d50 h LEU 1002Ca 0.00 -0.13 -0.61 0.00 0.09 0.00 0.00 57.88 57.23 3d50 h LEU 1002Cb 1.02 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 3d50 h LEU 1002CO 0.05 0.79 -0.59 -0.76 0.09 0.00 0.00 178.44 178.02 3d50 s LEU 1003N -9.46 3.77 0.90 1.67 1.43 -1.26 -5.12 118.68 110.60 3d50 s LEU 1003Ca -0.10 -0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.77 3d50 s LEU 1003Cb 0.16 -2.42 0.14 0.00 0.03 0.00 0.00 46.19 44.10 3d50 s LEU 1003CO 0.81 0.12 1.22 -2.16 0.23 0.00 0.00 176.35 176.57 3d50 s PRO 1004N -2.72 1.21 -1.47 1.29 0.04 -1.26 -4.29 135.00 127.80 3d50 s PRO 1004Ca 0.30 -0.04 -0.12 0.00 0.04 0.00 0.00 61.00 61.18 3d50 s PRO 1004Cb -0.11 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.61 3d50 s PRO 1004CO 0.22 -2.08 1.03 0.09 0.04 0.00 0.00 177.00 176.30 3d50 n ASN 1005N -3.62 -5.08 -4.76 6.66 5.03 -1.26 -4.83 115.26 107.39 3d50 n ASN 1005Ca 0.10 -0.71 -0.41 0.00 0.87 0.00 0.00 54.58 54.44 3d50 n ASN 1005Cb 0.60 -4.23 -0.03 0.00 -1.02 0.00 0.00 39.78 35.10 3d50 n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3d50 s VAL 1006N -3.32 3.01 -0.01 2.41 0.11 -1.26 -2.95 120.40 118.39 3d50 s VAL 1006Ca 0.61 0.99 0.02 0.00 -2.93 0.00 0.00 61.98 60.67 3d50 s VAL 1006Cb -0.29 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 30.90 3d50 s VAL 1006CO 0.80 0.23 0.03 0.00 -3.33 0.00 0.00 175.10 172.83 3d50 n ALA 1007N 1.15 2.04 -3.41 1.54 0.00 0.21 -4.93 120.51 117.11 3d50 n ALA 1007Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 3d50 n ALA 1007Cb 0.43 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 3d50 n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3d50 s ARG 1008N -2.10 1.00 -0.06 0.00 3.52 -1.20 -4.99 118.95 115.12 3d50 s ARG 1008Ca -0.01 0.01 -0.00 0.00 -0.13 0.00 0.00 55.73 55.60 3d50 s ARG 1008Cb 0.01 0.46 0.03 0.00 -1.56 0.00 0.00 34.95 33.89 3d50 s ARG 1008CO 0.07 -0.33 -0.02 0.00 -0.81 0.00 0.00 175.30 174.21 3d50 s GLU 1010N 1.56 1.96 0.14 0.00 2.02 -0.76 -0.85 118.70 122.77 3d50 s GLU 1010Ca -0.01 -0.79 -0.28 0.00 0.02 0.00 0.00 54.97 53.91 3d50 s GLU 1010Cb -0.13 -1.80 -0.07 0.00 0.10 0.00 0.00 34.13 32.23 3d50 s GLU 1010CO -0.04 0.42 0.89 0.50 0.02 0.00 0.00 175.26 177.06 3d50 s ARG 1011N -0.35 4.69 0.29 1.61 3.52 -0.06 -0.83 118.95 127.81 3d50 s ARG 1011Ca 0.04 1.35 0.05 0.00 -0.13 0.00 0.00 55.73 57.03 3d50 s ARG 1011Cb -0.10 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.90 3d50 s ARG 1011CO 0.01 0.37 0.01 0.95 -0.81 0.00 0.00 175.30 175.82 3d50 s THR 1012N -0.52 1.28 0.93 4.11 -4.23 -0.17 0.38 115.64 117.43 3d50 s THR 1012Ca 0.42 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 3d50 s THR 1012Cb -0.24 -2.58 0.12 0.00 1.34 0.00 0.00 72.50 71.15 3d50 s THR 1012CO 0.29 -0.17 0.95 0.35 -0.54 0.00 0.00 174.62 175.50 3d50 n THR 1013N -0.59 0.00 0.27 3.99 -2.24 -0.59 -3.93 114.28 111.20 3d50 n THR 1013Ca -0.04 -0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.78 3d50 n THR 1013Cb 0.65 -0.90 0.46 0.00 -2.10 0.00 0.00 70.33 68.44 3d50 n THR 1013CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3d50 n LEU 1014N -3.53 0.49 -0.37 3.22 4.77 -0.89 -0.52 117.00 120.16 3d50 n LEU 1014Ca 0.10 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.88 3d50 n LEU 1014Cb 0.52 -0.66 0.34 0.00 -2.33 0.00 0.00 43.42 41.29 3d50 n LEU 1014CO 0.50 -0.68 0.65 0.35 -1.33 0.00 0.00 177.39 176.87 3d50 n THR 1015N -2.10 0.00 -1.06 -5.08 -2.24 -1.26 -4.94 114.28 97.59 3d50 n THR 1015Ca 0.01 -0.20 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 3d50 n THR 1015Cb 0.12 0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 3d50 n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3d50 n PHE 1016N -0.26 0.00 0.52 4.78 3.72 0.32 -4.91 117.46 121.62 3d50 n PHE 1016Ca 0.13 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.65 3d50 n PHE 1016Cb 0.38 -1.17 0.10 0.00 -0.94 0.00 0.00 39.48 37.85 3d50 n PHE 1016CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3d50 n LEU 1017N -0.25 0.67 -3.95 4.37 4.77 -1.26 -4.85 117.00 116.50 3d50 n LEU 1017Ca -0.02 0.15 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 3d50 n LEU 1017Cb 0.26 -0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 3d50 n LEU 1017CO 0.03 -0.03 -0.41 -1.58 -1.33 0.00 0.00 177.39 174.07 3d50 s GLN 1018N -3.20 0.59 0.01 3.23 0.74 -1.26 -5.02 119.66 114.75 3d50 s GLN 1018Ca 0.04 -0.19 -0.27 0.00 0.05 0.00 0.00 55.36 55.00 3d50 s GLN 1018Cb 0.13 -0.58 -0.04 0.00 1.10 0.00 0.00 33.01 33.62 3d50 s GLN 1018CO 0.76 0.07 0.84 -0.80 -0.55 0.00 0.00 175.29 175.62 3d50 s ASN 1019N 0.16 7.25 -0.10 6.67 0.01 -1.26 -1.54 114.94 126.13 3d50 s ASN 1019Ca -0.02 1.50 0.08 0.00 -0.71 0.00 0.00 52.86 53.72 3d50 s ASN 1019Cb -0.06 -2.50 -0.12 0.00 0.41 0.00 0.00 41.25 38.98 3d50 s ASN 1019CO -0.00 -0.11 0.03 0.18 -1.51 0.00 0.00 177.10 175.69 3d50 n LEU 1020N 3.37 0.07 -3.68 0.60 4.77 0.16 -4.95 117.00 117.34 3d50 n LEU 1020Ca 0.01 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 3d50 n LEU 1020Cb 0.51 0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.73 3d50 n LEU 1020CO 0.49 0.25 0.17 -0.70 -1.33 0.00 0.00 177.39 176.27 3d50 s GLU 1021N -2.24 0.52 -0.22 3.23 2.12 -0.96 -4.98 118.70 116.18 3d50 s GLU 1021Ca -0.05 0.92 -0.20 0.00 0.36 0.00 0.00 54.97 56.00 3d50 s GLU 1021Cb 0.03 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.46 3d50 s GLU 1021CO 0.40 -0.15 0.62 -1.58 -0.54 0.00 0.00 175.26 174.01 3d50 s HIS 1022N 1.36 3.34 -0.19 5.30 5.65 -1.26 -0.88 115.29 128.60 3d50 s HIS 1022Ca -0.09 0.88 -0.11 0.00 0.25 0.00 0.00 55.06 55.99 3d50 s HIS 1022Cb -0.07 -2.80 -0.05 0.00 -1.18 0.00 0.00 32.58 28.48 3d50 s HIS 1022CO -0.14 -0.22 0.19 -0.51 -0.65 0.00 0.00 174.74 173.41 3d50 s LEU 1023N 2.09 4.20 0.25 8.88 1.43 -0.03 -4.98 118.68 130.53 3d50 s LEU 1023Ca 0.27 0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 53.37 3d50 s LEU 1023Cb -0.16 -2.18 -0.11 0.00 0.03 0.00 0.00 46.19 43.77 3d50 s LEU 1023CO 0.10 0.13 1.59 -1.81 0.23 0.00 0.00 176.35 176.59 3d50 s ASP 1024N 0.51 6.44 -0.25 2.29 1.01 -1.26 -2.06 116.67 123.35 3d50 s ASP 1024Ca 0.11 2.85 0.00 0.00 0.71 0.00 0.00 52.55 56.22 3d50 s ASP 1024Cb -0.12 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3d50 s ASP 1024CO 0.01 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.11 3d50 n GLY 1025N 2.73 0.51 3.89 0.21 0.00 -1.26 -2.80 105.19 108.47 3d50 n GLY 1025Ca 0.10 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3d50 n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3d50 n MET 1026N -1.77 -4.65 -4.08 1.61 2.81 -0.87 -4.98 117.12 105.19 3d50 n MET 1026Ca -0.02 0.54 -0.35 0.00 -1.81 0.00 0.00 57.70 56.05 3d50 n MET 1026Cb 0.22 -5.37 -0.13 0.00 -0.71 0.00 0.00 33.22 27.24 3d50 n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3d50 s VAL 1027N -3.23 3.76 -0.39 2.03 1.01 -1.12 -4.58 120.40 117.88 3d50 s VAL 1027Ca 0.64 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 3d50 s VAL 1027Cb -0.33 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.37 3d50 s VAL 1027CO 0.79 0.43 0.89 0.00 0.00 0.00 0.00 175.10 177.21 3d50 s ALA 1028N 1.08 3.37 0.67 5.51 0.00 -1.26 -4.68 121.76 126.46 3d50 s ALA 1028Ca 0.02 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.23 3d50 s ALA 1028Cb -0.14 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.47 3d50 s ALA 1028CO 0.01 -1.68 1.18 -2.14 0.00 0.00 0.00 175.76 173.12 3d50 s PRO 1029N 3.44 2.54 0.93 0.00 0.02 -1.26 -4.50 135.00 136.16 3d50 s PRO 1029Ca 0.36 1.66 -0.12 0.00 0.02 0.00 0.00 61.00 62.92 3d50 s PRO 1029Cb -0.12 -1.89 0.15 0.00 0.02 0.00 0.00 34.50 32.66 3d50 s PRO 1029CO 0.20 -1.50 1.10 -1.21 -0.33 0.00 0.00 177.00 175.26 3d50 s GLU 1030N -3.82 0.99 0.38 5.54 2.02 -1.26 -5.01 118.70 117.54 3d50 s GLU 1030Ca 0.73 0.57 0.07 0.00 0.02 0.00 0.00 54.97 56.36 3d50 s GLU 1030Cb -0.27 -1.80 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 3d50 s GLU 1030CO 0.41 -2.36 0.38 0.14 0.02 0.00 0.00 175.26 173.85 3d50 s VAL 1031N -3.04 3.22 0.57 2.63 -7.23 -1.26 -5.12 120.40 110.17 3d50 s VAL 1031Ca 0.64 -1.26 -0.08 0.00 -1.81 0.00 0.00 61.98 59.47 3d50 s VAL 1031Cb -0.17 -3.12 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 3d50 s VAL 1031CO 0.56 -0.09 0.92 0.00 -0.31 0.00 0.00 175.10 176.18 3d50 n PRO 1033N -2.55 1.92 -0.93 0.00 -0.02 -1.26 -1.36 135.00 130.79 3d50 n PRO 1033Ca 0.04 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3d50 n PRO 1033Cb 0.55 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3d50 n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3d50 n MET 1034N 1.89 -0.30 -4.00 -0.52 2.81 0.11 -4.93 117.12 112.17 3d50 n MET 1034Ca 0.12 0.08 -0.25 0.00 -1.81 0.00 0.00 57.70 55.83 3d50 n MET 1034Cb 0.31 -3.33 -0.04 0.00 -0.71 0.00 0.00 33.22 29.45 3d50 n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3d50 s GLU 1035N -0.43 3.25 -0.04 0.03 0.41 -0.46 -4.94 118.70 116.52 3d50 s GLU 1035Ca 0.00 -0.75 0.02 0.00 -0.41 0.00 0.00 54.97 53.83 3d50 s GLU 1035Cb 0.00 -2.83 0.02 0.00 -1.78 0.00 0.00 34.13 29.54 3d50 s GLU 1035CO 0.00 0.48 -0.06 0.99 -0.49 0.00 0.00 175.26 176.18 3d50 s THR 1036N -1.83 0.62 0.18 3.63 2.01 -1.26 -2.06 115.64 116.92 3d50 s THR 1036Ca 0.33 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.20 3d50 s THR 1036Cb -0.10 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 3d50 s THR 1036CO 0.27 0.23 -0.14 0.00 -0.69 0.00 0.00 174.62 174.28 3d50 s ALA 1037N 0.64 1.85 0.04 7.40 0.00 -0.45 -4.99 121.76 126.24 3d50 s ALA 1037Ca -0.09 -1.54 0.08 0.00 0.00 0.00 0.00 51.96 50.41 3d50 s ALA 1037Cb -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3d50 s ALA 1037CO 0.01 0.08 -0.23 0.00 0.00 0.00 0.00 175.76 175.62 3d50 s ALA 1038N -2.71 1.96 0.08 0.00 0.00 -1.25 -0.49 121.76 119.35 3d50 s ALA 1038Ca 0.18 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3d50 s ALA 1038Cb -0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3d50 s ALA 1038CO 0.05 0.46 -0.11 0.71 0.00 0.00 0.00 175.76 176.87 3d50 s TYR 1039N -0.77 1.01 -0.11 0.00 2.02 -0.08 -1.00 117.35 118.42 3d50 s TYR 1039Ca 0.09 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3d50 s TYR 1039Cb -0.09 -0.57 0.02 0.00 -0.40 0.00 0.00 41.96 40.92 3d50 s TYR 1039CO 0.02 -0.01 -0.11 0.08 -1.57 0.00 0.00 175.55 173.96 3d50 s VAL 1040N -1.93 1.26 -0.09 0.71 1.01 -0.01 -0.49 120.40 120.86 3d50 s VAL 1040Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 3d50 s VAL 1040Cb -0.06 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3d50 s VAL 1040CO 0.01 0.40 0.17 -0.94 0.00 0.00 0.00 175.10 174.73 3d50 s SER 1041N 1.32 6.41 -0.07 3.32 1.04 0.01 -1.83 113.70 123.90 3d50 s SER 1041Ca -0.01 0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.92 3d50 s SER 1041Cb -0.14 -2.07 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 3d50 s SER 1041CO -0.05 0.37 -0.11 -0.44 0.98 0.00 0.00 173.24 173.99 3d50 s SER 1042N -1.21 4.26 -0.04 7.02 0.01 -0.10 -1.09 113.70 122.55 3d50 s SER 1042Ca 0.18 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.29 3d50 s SER 1042Cb -0.12 -1.09 0.02 0.00 0.21 0.00 0.00 66.02 65.04 3d50 s SER 1042CO 0.07 0.32 -0.02 -1.00 0.41 0.00 0.00 173.24 173.02 3d50 s HIS 1043N -0.57 0.54 0.14 2.43 3.76 0.97 -0.61 115.29 121.95 3d50 s HIS 1043Ca 0.08 -0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 54.58 3d50 s HIS 1043Cb -0.12 -0.55 -0.08 0.00 1.11 0.00 0.00 32.58 32.95 3d50 s HIS 1043CO 0.02 -0.16 1.28 -1.54 -0.85 0.00 0.00 174.74 173.48 3d50 s SER 1044N 0.98 6.96 0.00 1.40 1.04 -1.15 -0.58 113.70 122.34 3d50 s SER 1044Ca -0.10 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.59 3d50 s SER 1044Cb -0.14 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3d50 s SER 1044CO -0.01 -0.51 0.01 -1.54 0.98 0.00 0.00 173.24 172.17