#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d91 n ASN 5 N 0.00 4.27 -4.90 1.61 6.94 -1.21 -4.03 115.26 117.94 3d91 n ASN 5 Ca 0.00 -3.58 -0.32 0.00 -0.02 0.00 0.00 54.58 50.66 3d91 n ASN 5 Cb 0.00 -0.47 -0.05 0.00 -2.36 0.00 0.00 39.78 36.91 3d91 n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3d91 s THR 6 N -5.20 5.22 -0.39 5.53 -4.23 -0.30 -4.58 115.64 111.70 3d91 s THR 6 Ca 0.45 -0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.94 3d91 s THR 6 Cb 0.41 -3.62 0.16 0.00 1.34 0.00 0.00 72.50 70.78 3d91 s THR 6 CO -0.16 0.09 0.34 0.42 -0.54 0.00 0.00 174.62 174.77 3d91 s THR 7 N -1.60 -0.03 0.90 3.99 -4.23 -1.26 -1.91 115.64 111.50 3d91 s THR 7 Ca 0.39 -1.72 -0.12 0.00 -1.18 0.00 0.00 61.69 59.06 3d91 s THR 7 Cb -0.12 -0.94 0.13 0.00 1.34 0.00 0.00 72.50 72.91 3d91 s THR 7 CO 0.25 -0.87 1.13 -0.55 -0.54 0.00 0.00 174.62 174.03 3d91 s SER 8 N 0.87 3.60 -0.15 3.99 0.15 -1.08 -4.86 113.70 116.22 3d91 s SER 8 Ca 0.23 1.04 -0.11 0.00 0.70 0.00 0.00 55.95 57.80 3d91 s SER 8 Cb -0.11 -1.64 0.05 0.00 -1.71 0.00 0.00 66.02 62.60 3d91 s SER 8 CO -0.06 -2.50 0.38 -0.94 1.20 0.00 0.00 173.24 171.32 3d91 s SER 9 N -3.97 -0.44 -0.21 5.45 1.04 -1.26 -1.56 113.70 112.76 3d91 s SER 9 Ca 0.63 0.80 -0.04 0.00 0.48 0.00 0.00 55.95 57.83 3d91 s SER 9 Cb -0.15 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 3d91 s SER 9 CO 0.54 -0.16 -0.03 -0.69 0.98 0.00 0.00 173.24 173.87 3d91 s VAL 10 N 0.73 3.56 0.23 5.02 1.01 0.62 -4.73 120.40 126.84 3d91 s VAL 10 Ca -0.04 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3d91 s VAL 10 Cb -0.05 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 3d91 s VAL 10 CO -0.05 0.43 1.07 -0.63 0.00 0.00 0.00 175.10 175.92 3d91 s ILE 11 N 1.22 3.75 0.17 2.22 -1.09 -1.26 -1.80 121.20 124.41 3d91 s ILE 11 Ca 0.03 1.66 0.11 0.00 -2.23 0.00 0.00 60.65 60.22 3d91 s ILE 11 Cb -0.14 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 3d91 s ILE 11 CO -0.01 0.35 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.06 3d91 s LEU 12 N -0.98 2.39 -0.23 2.97 1.43 -0.10 -4.43 118.68 119.73 3d91 s LEU 12 Ca 0.46 -0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 3d91 s LEU 12 Cb -0.30 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3d91 s LEU 12 CO 0.37 0.12 0.10 -0.89 0.23 0.00 0.00 176.35 176.28 3d91 s THR 13 N -1.50 4.83 -0.20 5.49 2.01 -0.32 -2.46 115.64 123.49 3d91 s THR 13 Ca 0.17 -0.01 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 3d91 s THR 13 Cb -0.08 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3d91 s THR 13 CO 0.08 0.37 0.78 0.21 -0.69 0.00 0.00 174.62 175.37 3d91 s ASN 14 N 1.07 6.84 -0.34 3.53 3.84 -1.26 -2.57 114.94 126.06 3d91 s ASN 14 Ca 0.05 1.03 -0.05 0.00 0.21 0.00 0.00 52.86 54.10 3d91 s ASN 14 Cb -0.14 -2.42 0.05 0.00 -0.55 0.00 0.00 41.25 38.19 3d91 s ASN 14 CO 0.04 -0.41 0.09 -0.47 -2.79 0.00 0.00 177.10 173.56 3d91 s TYR 15 N 2.34 3.28 -1.95 0.43 5.04 -0.45 -4.77 117.35 121.27 3d91 s TYR 15 Ca 0.34 -1.58 0.00 0.00 -2.44 0.00 0.00 57.07 53.40 3d91 s TYR 15 Cb -0.16 -2.32 0.00 0.00 0.35 0.00 0.00 41.96 39.83 3d91 s TYR 15 CO 0.10 -0.76 0.00 -1.33 -1.34 0.00 0.00 175.55 172.22 3d91 n MET 16 N 4.76 -1.43 -1.08 4.97 2.81 -1.26 -2.54 117.12 123.35 3d91 n MET 16 Ca -0.12 1.09 -0.03 0.00 -1.81 0.00 0.00 57.70 56.83 3d91 n MET 16 Cb 0.44 -5.45 -0.01 0.00 -0.71 0.00 0.00 33.22 27.49 3d91 n MET 16 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3d91 n ASP 17 N -1.17 -5.00 0.00 7.83 8.00 -1.26 -4.83 116.55 120.12 3d91 n ASP 17 Ca -0.19 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3d91 n ASP 17 Cb 0.62 -2.74 0.00 0.00 -0.02 0.00 0.00 41.12 38.97 3d91 n ASP 17 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3d91 n THR 18 N -2.36 0.00 -4.27 -3.53 -2.24 -1.05 -4.90 114.28 95.93 3d91 n THR 18 Ca -0.03 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 3d91 n THR 18 Cb 0.37 -0.40 -0.15 0.00 -2.10 0.00 0.00 70.33 68.04 3d91 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3d91 s GLN 19 N -1.83 3.15 -0.32 -0.78 -0.21 -1.11 -4.32 119.66 114.24 3d91 s GLN 19 Ca 0.00 -0.76 0.02 0.00 0.02 0.00 0.00 55.36 54.64 3d91 s GLN 19 Cb 0.00 -2.67 0.10 0.00 1.00 0.00 0.00 33.01 31.44 3d91 s GLN 19 CO 0.00 -0.11 0.07 0.71 -2.12 0.00 0.00 175.29 173.84 3d91 s TYR 20 N 1.12 2.72 0.17 0.91 2.02 -1.26 -1.34 117.35 121.69 3d91 s TYR 20 Ca 0.01 -2.36 0.08 0.00 -0.37 0.00 0.00 57.07 54.43 3d91 s TYR 20 Cb -0.14 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.07 3d91 s TYR 20 CO -0.05 -0.91 -0.17 1.52 -1.57 0.00 0.00 175.55 174.36 3d91 s TYR 21 N 1.27 1.75 0.25 2.71 1.13 -1.06 -4.42 117.35 118.98 3d91 s TYR 21 Ca 0.10 -0.50 0.04 0.00 -1.41 0.00 0.00 57.07 55.31 3d91 s TYR 21 Cb -0.18 -0.86 -0.02 0.00 -1.10 0.00 0.00 41.96 39.80 3d91 s TYR 21 CO -0.17 0.32 0.24 0.41 -2.51 0.00 0.00 175.55 173.85 3d91 n GLY 22 N 0.14 3.04 3.65 5.49 0.00 -0.16 -1.17 105.19 116.17 3d91 n GLY 22 Ca -0.12 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 3d91 n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d91 s GLU 23 N -2.93 2.81 0.23 1.61 2.12 -1.26 -0.40 118.70 120.88 3d91 s GLU 23 Ca 0.28 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.07 3d91 s GLU 23 Cb 0.01 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 3d91 s GLU 23 CO 0.20 0.66 0.13 0.96 -0.54 0.00 0.00 175.26 176.66 3d91 s ILE 24 N -0.95 0.21 0.00 -3.70 -4.36 -0.02 -4.64 121.20 107.74 3d91 s ILE 24 Ca 0.16 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.54 3d91 s ILE 24 Cb -0.11 -2.55 -0.01 0.00 1.25 0.00 0.00 42.46 41.04 3d91 s ILE 24 CO 0.05 0.00 -0.00 -0.83 0.24 0.00 0.00 174.94 174.40 3d91 s GLY 25 N -3.24 0.07 -0.01 6.27 0.00 -0.04 -1.04 107.32 109.33 3d91 s GLY 25 Ca 0.38 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.96 3d91 s GLY 25 CO 0.14 -0.18 -0.06 -0.42 0.00 0.00 0.00 173.10 172.57 3d91 s ILE 26 N -0.43 0.49 0.00 0.90 1.01 -0.36 -0.21 121.20 122.60 3d91 s ILE 26 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3d91 s ILE 26 Cb -0.03 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.01 3d91 s ILE 26 CO -0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 3d91 n GLY 27 N 3.04 0.39 2.99 6.18 0.00 0.42 0.14 105.19 118.34 3d91 n GLY 27 Ca -0.14 -1.98 -0.27 0.00 0.00 0.00 0.00 46.02 43.63 3d91 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d91 s THR 28 N -1.40 1.20 1.00 2.61 2.01 -1.26 -3.37 115.64 116.43 3d91 s THR 28 Ca 0.00 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 3d91 s THR 28 Cb 0.00 -1.14 0.19 0.00 0.01 0.00 0.00 72.50 71.56 3d91 s THR 28 CO 0.00 0.38 1.08 -2.16 -0.69 0.00 0.00 174.62 173.24 3d91 s PRO 29 N 1.17 0.38 0.05 4.92 0.04 -1.26 -0.49 135.00 139.81 3d91 s PRO 29 Ca -0.04 0.67 -0.31 0.00 0.04 0.00 0.00 61.00 61.36 3d91 s PRO 29 Cb -0.14 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 3d91 s PRO 29 CO -0.03 -2.80 1.27 -2.14 0.04 0.00 0.00 177.00 173.34 3d91 s PRO 30 N -4.86 4.38 -0.26 0.56 0.02 -1.22 -4.90 135.00 128.73 3d91 s PRO 30 Ca 0.65 1.86 -0.14 0.00 0.02 0.00 0.00 61.00 63.39 3d91 s PRO 30 Cb -0.20 -3.37 -0.04 0.00 0.02 0.00 0.00 34.50 30.91 3d91 s PRO 30 CO 0.59 -0.36 0.32 -0.65 -0.33 0.00 0.00 177.00 176.57 3d91 s GLN 31 N 1.36 4.03 -0.04 5.54 -0.21 0.37 -4.77 119.66 125.93 3d91 s GLN 31 Ca 0.60 -0.04 -0.07 0.00 0.02 0.00 0.00 55.36 55.88 3d91 s GLN 31 Cb -0.31 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.03 3d91 s GLN 31 CO 0.28 -0.19 0.22 0.95 -2.12 0.00 0.00 175.29 174.42 3d91 s THR 32 N 1.81 5.38 0.03 -0.19 -4.23 -1.26 -1.23 115.64 115.95 3d91 s THR 32 Ca 0.13 0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.83 3d91 s THR 32 Cb -0.15 -3.51 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 3d91 s THR 32 CO 0.09 0.47 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.20 3d91 s PHE 33 N -1.19 0.68 -0.07 3.99 0.08 -0.21 -4.97 117.98 116.30 3d91 s PHE 33 Ca 0.23 -0.34 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 3d91 s PHE 33 Cb -0.13 -0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.86 3d91 s PHE 33 CO 0.12 -0.04 0.29 0.15 -0.10 0.00 0.00 175.22 175.64 3d91 s LYS 34 N -1.02 3.81 0.03 0.44 1.02 -1.26 -0.84 119.74 121.91 3d91 s LYS 34 Ca -0.04 0.17 -0.04 0.00 0.02 0.00 0.00 55.97 56.08 3d91 s LYS 34 Cb -0.07 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 3d91 s LYS 34 CO 0.00 0.64 0.05 0.14 -0.92 0.00 0.00 175.35 175.27 3d91 s VAL 35 N -0.80 0.13 0.10 3.17 -7.23 0.46 -0.15 120.40 116.08 3d91 s VAL 35 Ca 0.19 -1.05 -0.23 0.00 -1.81 0.00 0.00 61.98 59.08 3d91 s VAL 35 Cb -0.14 -0.70 -0.07 0.00 0.56 0.00 0.00 36.38 36.03 3d91 s VAL 35 CO 0.08 -0.58 0.70 -0.69 -0.31 0.00 0.00 175.10 174.30 3d91 s VAL 36 N -2.21 4.59 -0.46 1.32 1.01 -0.15 -0.99 120.40 123.51 3d91 s VAL 36 Ca -0.09 1.50 -0.24 0.00 0.00 0.00 0.00 61.98 63.16 3d91 s VAL 36 Cb -0.04 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.33 3d91 s VAL 36 CO -0.03 0.49 0.82 -0.36 0.00 0.00 0.00 175.10 176.03 3d91 s PHE 37 N -0.84 2.96 -0.41 5.22 0.40 -1.26 -0.71 117.98 123.34 3d91 s PHE 37 Ca 0.34 0.19 -0.12 0.00 -0.60 0.00 0.00 56.93 56.73 3d91 s PHE 37 Cb -0.21 -3.75 0.04 0.00 0.51 0.00 0.00 43.02 39.61 3d91 s PHE 37 CO 0.23 -1.04 0.27 0.34 0.70 0.00 0.00 175.22 175.72 3d91 s ASP 38 N 2.22 5.89 0.27 1.36 2.15 -0.05 -3.98 116.67 124.52 3d91 s ASP 38 Ca 0.31 -1.12 0.24 0.00 0.43 0.00 0.00 52.55 52.42 3d91 s ASP 38 Cb -0.12 -2.08 0.99 0.00 -0.30 0.00 0.00 42.92 41.41 3d91 s ASP 38 CO 0.23 -0.47 1.73 0.35 -0.17 0.00 0.00 175.17 176.83 3d91 n THR 39 N 5.06 0.81 1.33 1.71 -2.24 -1.26 0.10 114.28 119.79 3d91 n THR 39 Ca -0.11 0.20 0.14 0.00 -2.27 0.00 0.00 64.05 62.01 3d91 n THR 39 Cb 0.45 -1.14 0.58 0.00 -2.10 0.00 0.00 70.33 68.12 3d91 n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d91 n GLY 40 N 0.06 -1.02 3.17 3.38 0.00 -1.26 -4.03 105.19 105.49 3d91 n GLY 40 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 3d91 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d91 s SER 41 N -2.57 0.82 0.00 1.61 1.04 -1.24 -5.00 113.70 108.37 3d91 s SER 41 Ca 0.26 -1.11 0.06 0.00 0.48 0.00 0.00 55.95 55.64 3d91 s SER 41 Cb 0.20 0.17 0.12 0.00 0.10 0.00 0.00 66.02 66.61 3d91 s SER 41 CO 0.50 -0.59 0.96 -1.20 0.98 0.00 0.00 173.24 173.89 3d91 n SER 42 N -0.08 2.11 -4.72 7.02 7.64 -1.26 -1.39 113.62 122.93 3d91 n SER 42 Ca -0.09 -1.70 -0.23 0.00 1.01 0.00 0.00 58.87 57.85 3d91 n SER 42 Cb 0.62 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 3d91 n SER 42 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3d91 s ASN 43 N -0.80 5.00 -0.05 6.43 -0.87 -1.26 -4.48 114.94 118.90 3d91 s ASN 43 Ca 0.11 -0.43 0.00 0.00 -1.57 0.00 0.00 52.86 50.97 3d91 s ASN 43 Cb 0.06 -1.11 -0.03 0.00 -0.02 0.00 0.00 41.25 40.15 3d91 s ASN 43 CO 0.08 0.00 -0.03 -0.69 -2.57 0.00 0.00 177.10 173.90 3d91 s VAL 44 N -2.13 4.00 0.19 1.60 1.01 -1.26 -0.01 120.40 123.80 3d91 s VAL 44 Ca 0.31 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 3d91 s VAL 44 Cb -0.08 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.63 3d91 s VAL 44 CO 0.22 0.54 0.47 -1.66 0.00 0.00 0.00 175.10 174.67 3d91 s TRP 45 N -0.91 0.01 0.08 5.22 1.48 -1.05 -0.25 118.94 123.53 3d91 s TRP 45 Ca 0.14 -0.36 -0.04 0.00 -1.06 0.00 0.00 56.10 54.78 3d91 s TRP 45 Cb -0.11 0.29 -0.03 0.00 -1.16 0.00 0.00 33.47 32.46 3d91 s TRP 45 CO 0.04 -0.88 0.08 0.14 -4.06 0.00 0.00 176.95 172.27 3d91 s VAL 46 N -3.90 0.16 0.45 -0.66 -7.23 -0.83 -2.95 120.40 105.44 3d91 s VAL 46 Ca 0.11 -1.59 -0.25 0.00 -1.81 0.00 0.00 61.98 58.44 3d91 s VAL 46 Cb -0.00 -1.57 -0.08 0.00 0.56 0.00 0.00 36.38 35.29 3d91 s VAL 46 CO -0.02 -0.75 1.37 -2.16 -0.31 0.00 0.00 175.10 173.23 3d91 s PRO 47 N -3.93 3.71 0.19 4.82 0.04 -1.26 -0.66 135.00 137.92 3d91 s PRO 47 Ca 0.10 2.28 -0.03 0.00 0.04 0.00 0.00 61.00 63.39 3d91 s PRO 47 Cb 0.07 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 3d91 s PRO 47 CO -0.08 -0.74 0.40 0.45 0.04 0.00 0.00 177.00 177.07 3d91 s SER 48 N -0.68 6.44 0.28 6.66 0.15 -0.45 -0.45 113.70 125.65 3d91 s SER 48 Ca 0.61 0.52 0.12 0.00 0.70 0.00 0.00 55.95 57.89 3d91 s SER 48 Cb -0.41 -2.06 0.63 0.00 -1.71 0.00 0.00 66.02 62.47 3d91 s SER 48 CO 0.52 -0.02 1.24 -1.54 1.20 0.00 0.00 173.24 174.64 3d91 n SER 49 N -0.36 0.30 -0.94 5.45 3.41 0.28 -0.88 113.62 120.88 3d91 n SER 49 Ca -0.03 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 3d91 n SER 49 Cb 0.53 -0.48 0.25 0.00 -0.26 0.00 0.00 64.21 64.25 3d91 n SER 49 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d91 n LYS 50 N -1.96 2.24 -2.51 4.33 5.02 -1.26 -4.86 118.16 119.16 3d91 n LYS 50 Ca -0.01 -1.86 -0.43 0.00 -2.02 0.00 0.00 58.31 53.99 3d91 n LYS 50 Cb 0.30 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 3d91 n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d91 n SER 52 N 6.90 2.29 0.00 0.00 2.88 -1.26 -4.85 113.62 119.58 3d91 n SER 52 Ca 0.13 1.18 0.07 0.00 -1.33 0.00 0.00 58.87 58.92 3d91 n SER 52 Cb 0.46 -1.40 0.40 0.00 -0.75 0.00 0.00 64.21 62.92 3d91 n SER 52 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3d91 n ARG 53 N 1.04 0.42 0.21 -1.46 -4.01 -1.26 -1.76 116.66 109.84 3d91 n ARG 53 Ca 0.08 0.01 0.09 0.00 -1.04 0.00 0.00 57.85 56.99 3d91 n ARG 53 Cb 0.33 -1.50 0.41 0.00 -3.04 0.00 0.00 32.46 28.66 3d91 n ARG 53 CO 0.00 0.00 0.00 -0.07 -3.04 0.00 0.00 177.63 174.52 3d91 h LEU 54 N 0.00 0.00 -8.71 2.89 4.07 -2.01 -3.41 115.31 108.14 3d91 h LEU 54 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 3d91 h LEU 54 Cb 0.01 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 3d91 h LEU 54 CO 0.00 0.25 1.09 -0.31 -1.08 0.00 0.00 178.44 178.39 3d91 s TYR 55 N -3.58 2.33 0.18 1.13 2.02 -0.72 -4.90 117.35 113.80 3d91 s TYR 55 Ca 0.01 0.61 -0.14 0.00 -0.37 0.00 0.00 57.07 57.18 3d91 s TYR 55 Cb 0.10 -4.33 0.15 0.00 -0.40 0.00 0.00 41.96 37.47 3d91 s TYR 55 CO 0.65 -2.00 1.74 1.15 -1.57 0.00 0.00 175.55 175.52 3d91 h THR 56 N 6.46 0.83 -1.01 -0.71 2.02 -1.83 0.45 112.91 119.12 3d91 h THR 56 Ca -0.27 -0.11 0.26 0.00 0.77 0.00 0.00 66.41 67.05 3d91 h THR 56 Cb 1.10 0.48 -0.08 0.00 -1.74 0.00 0.00 68.15 67.92 3d91 h THR 56 CO 1.12 0.06 0.67 0.00 0.37 0.00 0.00 175.52 177.74 3d91 h ALA 57 N 1.32 2.38 0.00 6.16 0.00 -1.88 -1.39 119.26 125.85 3d91 h ALA 57 Ca 0.22 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3d91 h ALA 57 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3d91 h ALA 57 CO -0.24 -0.73 -0.68 0.00 0.00 0.00 0.00 179.25 177.59 3d91 h VAL 59 N 0.00 0.70 0.00 0.00 3.04 -0.72 -3.30 116.25 115.97 3d91 h VAL 59 Ca -0.01 -1.68 0.00 0.00 -1.01 0.00 0.00 66.70 64.00 3d91 h VAL 59 Cb 1.34 2.11 0.00 0.00 -2.01 0.00 0.00 31.29 32.73 3d91 h VAL 59 CO 0.09 0.35 -1.23 -1.22 -1.01 0.00 0.00 177.57 174.55 3d91 n TYR 60 N -3.31 0.66 -3.54 3.17 0.53 -1.04 -4.95 117.16 108.67 3d91 n TYR 60 Ca 0.01 0.19 -0.21 0.00 -1.02 0.00 0.00 57.90 56.88 3d91 n TYR 60 Cb 0.59 -0.79 -0.03 0.00 -1.03 0.00 0.00 39.34 38.08 3d91 n TYR 60 CO 0.00 0.00 0.00 -1.01 -1.02 0.00 0.00 176.86 174.83 3d91 s HIS 61 N -3.38 2.73 0.08 -0.72 3.76 -1.07 -5.09 115.29 111.59 3d91 s HIS 61 Ca -0.02 -0.48 -0.13 0.00 -0.15 0.00 0.00 55.06 54.28 3d91 s HIS 61 Cb 0.11 -2.17 -0.06 0.00 1.11 0.00 0.00 32.58 31.57 3d91 s HIS 61 CO 0.82 -0.12 0.47 0.15 -0.85 0.00 0.00 174.74 175.20 3d91 s LYS 62 N -4.14 3.91 -0.14 1.40 1.02 -1.26 -4.92 119.74 115.61 3d91 s LYS 62 Ca 0.48 0.39 -0.03 0.00 0.02 0.00 0.00 55.97 56.83 3d91 s LYS 62 Cb -0.04 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 3d91 s LYS 62 CO 0.28 0.58 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.74 3d91 s LEU 63 N -1.64 3.31 -0.00 3.17 1.43 -1.26 -4.29 118.68 119.39 3d91 s LEU 63 Ca 0.32 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 3d91 s LEU 63 Cb -0.15 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 3d91 s LEU 63 CO 0.17 0.22 1.40 0.12 0.23 0.00 0.00 176.35 178.48 3d91 s PHE 64 N 0.08 2.86 -0.34 0.29 5.36 0.40 -4.70 117.98 121.93 3d91 s PHE 64 Ca -0.00 0.83 -0.01 0.00 -0.96 0.00 0.00 56.93 56.78 3d91 s PHE 64 Cb -0.13 -3.66 0.08 0.00 -0.34 0.00 0.00 43.02 38.97 3d91 s PHE 64 CO 0.03 -2.42 0.08 0.34 -1.46 0.00 0.00 175.22 171.79 3d91 s ASP 65 N 1.87 5.00 0.25 6.13 2.15 -1.26 0.10 116.67 130.92 3d91 s ASP 65 Ca 0.64 -1.67 -0.04 0.00 0.43 0.00 0.00 52.55 51.91 3d91 s ASP 65 Cb -0.31 -1.74 0.39 0.00 -0.30 0.00 0.00 42.92 40.96 3d91 s ASP 65 CO 0.26 -0.38 1.83 0.00 -0.17 0.00 0.00 175.17 176.72 3d91 h ALA 66 N 7.96 1.23 0.00 3.66 0.00 -1.95 -1.86 119.26 128.30 3d91 h ALA 66 Ca -0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3d91 h ALA 66 Cb 1.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3d91 h ALA 66 CO 0.59 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.92 3d91 n SER 67 N -4.66 0.00 -0.44 0.00 3.41 -1.26 -1.71 113.62 108.95 3d91 n SER 67 Ca 0.14 -0.40 0.04 0.00 -0.26 0.00 0.00 58.87 58.39 3d91 n SER 67 Cb 0.24 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.29 3d91 n SER 67 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d91 n ASP 68 N -0.89 2.60 -3.85 4.04 8.00 -0.70 -4.99 116.55 120.76 3d91 n ASP 68 Ca 0.06 -1.97 -0.26 0.00 0.71 0.00 0.00 54.79 53.34 3d91 n ASP 68 Cb 0.03 -0.15 -0.17 0.00 -0.02 0.00 0.00 41.12 40.80 3d91 n ASP 68 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3d91 s SER 69 N -0.98 2.07 0.00 -2.24 0.15 -0.70 -4.21 113.70 107.79 3d91 s SER 69 Ca 0.16 -0.28 0.24 0.00 0.70 0.00 0.00 55.95 56.76 3d91 s SER 69 Cb 0.08 -0.70 0.16 0.00 -1.71 0.00 0.00 66.02 63.85 3d91 s SER 69 CO 0.11 -0.16 1.22 -1.54 1.20 0.00 0.00 173.24 174.07 3d91 n SER 70 N 5.01 2.64 0.03 5.45 3.41 0.36 -3.59 113.62 126.94 3d91 n SER 70 Ca -0.10 -1.83 0.11 0.00 -0.26 0.00 0.00 58.87 56.79 3d91 n SER 70 Cb 0.50 0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 3d91 n SER 70 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3d91 n SER 71 N 0.88 0.56 -4.64 4.04 3.41 -1.26 -4.94 113.62 111.67 3d91 n SER 71 Ca 0.13 -0.14 -0.54 0.00 -0.26 0.00 0.00 58.87 58.06 3d91 n SER 71 Cb 0.55 0.95 -0.07 0.00 -0.26 0.00 0.00 64.21 65.39 3d91 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d91 n TYR 72 N -2.09 2.02 -4.68 7.33 4.19 -1.24 -4.56 117.16 118.14 3d91 n TYR 72 Ca 0.01 0.35 -0.33 0.00 3.31 0.00 0.00 57.90 61.24 3d91 n TYR 72 Cb 0.47 -2.52 -0.13 0.00 0.49 0.00 0.00 39.34 37.64 3d91 n TYR 72 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 3d91 s LYS 73 N 4.31 3.26 0.13 2.98 -0.14 -0.20 -5.03 119.74 125.05 3d91 s LYS 73 Ca 1.00 -0.63 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 3d91 s LYS 73 Cb -0.94 -2.67 -0.06 0.00 -1.68 0.00 0.00 37.83 32.48 3d91 s LYS 73 CO 0.59 0.33 1.03 -1.58 -0.76 0.00 0.00 175.35 174.97 3d91 s HIS 74 N 0.06 3.69 0.04 3.18 5.65 -1.26 -1.02 115.29 125.64 3d91 s HIS 74 Ca -0.03 1.68 -0.00 0.00 0.25 0.00 0.00 55.06 56.96 3d91 s HIS 74 Cb -0.14 -3.17 -0.00 0.00 -1.18 0.00 0.00 32.58 28.09 3d91 s HIS 74 CO 0.04 -0.23 -0.00 -1.71 -0.65 0.00 0.00 174.74 172.19 3d91 n ASN 75 N 2.76 0.56 0.00 9.88 2.85 -1.21 -4.84 115.26 125.26 3d91 n ASN 75 Ca 0.03 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 3d91 n ASN 75 Cb 0.48 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.32 3d91 n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3d91 n GLY 76 N 3.44 0.69 3.70 8.20 0.00 -0.32 -4.98 105.19 115.92 3d91 n GLY 76 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3d91 n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d91 s THR 77 N -2.16 4.85 0.58 2.61 2.01 -1.26 -4.64 115.64 117.63 3d91 s THR 77 Ca 0.00 2.03 -0.18 0.00 0.31 0.00 0.00 61.69 63.86 3d91 s THR 77 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 3d91 s THR 77 CO 0.00 0.11 1.11 -1.61 -0.69 0.00 0.00 174.62 173.54 3d91 s GLU 78 N 1.32 3.20 0.10 4.92 2.02 -1.26 -0.46 118.70 128.54 3d91 s GLU 78 Ca 0.50 1.49 -0.17 0.00 0.02 0.00 0.00 54.97 56.81 3d91 s GLU 78 Cb -0.20 -2.00 0.04 0.00 0.10 0.00 0.00 34.13 32.07 3d91 s GLU 78 CO 0.24 -0.95 0.41 -0.48 0.02 0.00 0.00 175.26 174.51 3d91 s LEU 79 N -4.18 0.38 -0.06 1.80 2.34 -0.90 -4.90 118.68 113.16 3d91 s LEU 79 Ca 0.70 -0.20 0.03 0.00 0.06 0.00 0.00 54.13 54.72 3d91 s LEU 79 Cb -0.22 1.82 0.00 0.00 -0.56 0.00 0.00 46.19 47.24 3d91 s LEU 79 CO 0.32 -0.79 -0.16 -0.89 -1.06 0.00 0.00 176.35 173.76 3d91 s THR 80 N -3.35 1.42 -0.18 5.48 2.01 -1.26 -2.18 115.64 117.58 3d91 s THR 80 Ca 0.00 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.33 3d91 s THR 80 Cb 0.01 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.29 3d91 s THR 80 CO -0.09 0.41 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.31 3d91 s LEU 81 N 0.32 2.07 -0.23 4.42 1.43 0.94 -4.94 118.68 122.70 3d91 s LEU 81 Ca -0.10 -0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 52.32 3d91 s LEU 81 Cb -0.14 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 3d91 s LEU 81 CO 0.04 -0.01 -0.02 -0.13 0.23 0.00 0.00 176.35 176.45 3d91 s ARG 82 N 1.32 3.41 0.32 1.70 0.52 -1.26 -0.89 118.95 124.06 3d91 s ARG 82 Ca 0.05 -0.61 0.09 0.00 -0.52 0.00 0.00 55.73 54.73 3d91 s ARG 82 Cb -0.13 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 3d91 s ARG 82 CO -0.13 -0.20 0.10 0.71 0.02 0.00 0.00 175.30 175.80 3d91 s TYR 83 N 1.50 2.72 0.30 -0.53 2.02 0.35 -5.00 117.35 118.71 3d91 s TYR 83 Ca 0.06 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.46 3d91 s TYR 83 Cb -0.14 -1.50 0.62 0.00 -0.40 0.00 0.00 41.96 40.53 3d91 s TYR 83 CO -0.02 0.43 1.86 0.77 -1.57 0.00 0.00 175.55 177.01 3d91 h SER 84 N 1.64 0.86 -4.15 2.29 0.02 -1.99 -3.14 113.55 109.09 3d91 h SER 84 Ca -0.44 0.04 -0.64 0.00 -0.84 0.00 0.00 61.79 59.91 3d91 h SER 84 Cb 1.25 -0.13 -0.41 0.00 0.14 0.00 0.00 62.40 63.25 3d91 h SER 84 CO 0.62 0.47 -0.66 0.42 -1.14 0.00 0.00 176.83 176.54 3d91 s THR 85 N -5.88 2.39 0.00 -2.27 -4.23 -1.26 -5.07 115.64 99.32 3d91 s THR 85 Ca -0.11 -3.03 0.00 0.00 -1.18 0.00 0.00 61.69 57.36 3d91 s THR 85 Cb 0.22 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3d91 s THR 85 CO 0.80 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3d91 n GLY 86 N 3.40 2.77 3.27 3.99 0.00 -1.19 -4.80 105.19 112.63 3d91 n GLY 86 Ca 0.05 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 3d91 n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3d91 s THR 87 N -2.09 0.40 -0.19 2.61 -1.32 -1.26 -0.49 115.64 113.29 3d91 s THR 87 Ca 0.00 -1.99 -0.23 0.00 -1.21 0.00 0.00 61.69 58.26 3d91 s THR 87 Cb 0.00 -2.53 0.06 0.00 -1.51 0.00 0.00 72.50 68.52 3d91 s THR 87 CO 0.00 -0.06 0.61 0.54 -2.21 0.00 0.00 174.62 173.50 3d91 s VAL 88 N -3.87 0.00 0.00 5.08 0.11 -0.07 -4.43 120.40 117.22 3d91 s VAL 88 Ca 0.36 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.42 3d91 s VAL 88 Cb 0.07 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 3d91 s VAL 88 CO 0.12 -0.02 -0.12 -0.94 -3.33 0.00 0.00 175.10 170.82 3d91 s SER 89 N -0.01 1.35 0.00 3.54 1.04 -1.16 -0.04 113.70 118.42 3d91 s SER 89 Ca -0.03 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3d91 s SER 89 Cb -0.04 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.96 3d91 s SER 89 CO 0.03 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.95 3d91 n GLY 90 N 2.54 3.66 3.37 7.32 0.00 -0.93 -1.37 105.19 119.79 3d91 n GLY 90 Ca -0.15 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 3d91 n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d91 s PHE 91 N 0.75 -0.38 0.26 1.61 -0.12 -1.09 -2.11 117.98 116.88 3d91 s PHE 91 Ca 0.00 0.43 -0.23 0.00 -0.05 0.00 0.00 56.93 57.08 3d91 s PHE 91 Cb 0.00 0.31 -0.09 0.00 -0.63 0.00 0.00 43.02 42.61 3d91 s PHE 91 CO 0.00 -0.62 0.82 -0.51 -0.05 0.00 0.00 175.22 174.86 3d91 s LEU 92 N -1.93 4.35 0.01 -1.99 1.43 0.39 0.31 118.68 121.25 3d91 s LEU 92 Ca -0.06 1.60 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 3d91 s LEU 92 Cb -0.01 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 3d91 s LEU 92 CO -0.01 0.00 -0.00 -0.44 0.23 0.00 0.00 176.35 176.13 3d91 s SER 93 N -1.61 0.16 -0.17 2.29 0.01 -0.34 -1.17 113.70 112.87 3d91 s SER 93 Ca 0.46 -0.35 -0.06 0.00 1.31 0.00 0.00 55.95 57.31 3d91 s SER 93 Cb -0.18 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 3d91 s SER 93 CO 0.22 -0.24 0.02 -1.58 0.41 0.00 0.00 173.24 172.07 3d91 s GLN 94 N -1.12 3.84 0.29 12.44 0.74 -0.18 -1.54 119.66 134.12 3d91 s GLN 94 Ca -0.12 -0.41 -0.06 0.00 0.05 0.00 0.00 55.36 54.81 3d91 s GLN 94 Cb -0.08 -3.08 -0.01 0.00 1.10 0.00 0.00 33.01 30.95 3d91 s GLN 94 CO -0.01 0.27 0.43 0.34 -0.55 0.00 0.00 175.29 175.78 3d91 s ASP 95 N 0.33 0.41 0.00 6.67 -1.08 -0.87 -1.03 116.67 121.10 3d91 s ASP 95 Ca 0.00 -1.25 -0.30 0.00 -0.52 0.00 0.00 52.55 50.48 3d91 s ASP 95 Cb -0.13 0.60 -0.04 0.00 -1.46 0.00 0.00 42.92 41.89 3d91 s ASP 95 CO 0.01 -1.18 1.07 -0.63 0.52 0.00 0.00 175.17 174.96 3d91 s ILE 96 N -3.56 4.56 0.02 4.11 1.01 -1.26 -1.17 121.20 124.90 3d91 s ILE 96 Ca 0.28 1.84 0.06 0.00 0.00 0.00 0.00 60.65 62.83 3d91 s ILE 96 Cb 0.00 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 3d91 s ILE 96 CO 0.15 0.12 -0.17 -0.63 0.00 0.00 0.00 174.94 174.41 3d91 s ILE 97 N 1.21 1.36 0.03 2.92 1.01 0.17 -0.44 121.20 127.46 3d91 s ILE 97 Ca 0.54 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 60.29 3d91 s ILE 97 Cb -0.24 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 3d91 s ILE 97 CO 0.27 0.20 -0.15 0.42 0.00 0.00 0.00 174.94 175.68 3d91 s THR 98 N -0.66 1.18 -0.12 2.92 -4.23 0.70 0.05 115.64 115.48 3d91 s THR 98 Ca 0.05 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.61 3d91 s THR 98 Cb -0.08 -1.04 0.04 0.00 1.34 0.00 0.00 72.50 72.76 3d91 s THR 98 CO 0.01 0.10 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.49 3d91 s VAL 99 N -0.73 0.56 0.00 2.29 1.01 -0.77 -0.86 120.40 121.90 3d91 s VAL 99 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3d91 s VAL 99 Cb -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.49 3d91 s VAL 99 CO 0.01 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3d91 n GLY 100 N 5.07 2.79 0.10 4.51 0.00 -1.26 -2.26 105.19 114.14 3d91 n GLY 100 Ca -0.09 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 3d91 n GLY 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d91 h GLY 101 N 0.00 0.17 -3.57 -0.02 0.00 -1.95 -3.47 103.07 94.23 3d91 h GLY 101 Ca 0.00 -0.37 -0.53 0.00 0.00 0.00 0.00 47.33 46.42 3d91 h GLY 101 CO 0.00 0.33 0.66 -0.42 0.00 0.00 0.00 176.54 177.11 3d91 s ILE 102 N -2.87 2.43 -0.08 2.60 1.01 -0.96 -5.04 121.20 118.29 3d91 s ILE 102 Ca -0.02 0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.06 3d91 s ILE 102 Cb 0.09 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3d91 s ILE 102 CO 0.84 0.07 -0.19 -0.89 0.00 0.00 0.00 174.94 174.77 3d91 s THR 103 N -1.21 1.62 -0.03 2.92 2.01 -1.26 -1.84 115.64 117.84 3d91 s THR 103 Ca 0.56 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 3d91 s THR 103 Cb -0.41 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 70.69 3d91 s THR 103 CO 0.53 0.46 0.14 0.54 -0.69 0.00 0.00 174.62 175.60 3d91 s VAL 104 N 0.43 0.03 -0.36 3.82 0.11 0.11 -4.93 120.40 119.61 3d91 s VAL 104 Ca -0.15 -0.25 -0.29 0.00 -2.93 0.00 0.00 61.98 58.35 3d91 s VAL 104 Cb -0.16 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 3d91 s VAL 104 CO 0.06 -0.14 1.25 -0.89 -3.33 0.00 0.00 175.10 172.05 3d91 s THR 105 N -0.44 4.18 -0.05 5.04 2.01 -1.26 0.44 115.64 125.56 3d91 s THR 105 Ca -0.05 1.29 0.04 0.00 0.31 0.00 0.00 61.69 63.28 3d91 s THR 105 Cb -0.03 -4.30 -0.00 0.00 0.01 0.00 0.00 72.50 68.17 3d91 s THR 105 CO 0.01 -0.64 -0.17 -1.58 -0.69 0.00 0.00 174.62 171.55 3d91 s GLN 106 N 4.27 1.82 0.12 4.92 2.00 -0.32 -4.97 119.66 127.51 3d91 s GLN 106 Ca 0.53 -0.60 -0.29 0.00 -2.00 0.00 0.00 55.36 53.01 3d91 s GLN 106 Cb -0.13 -1.56 -0.06 0.00 0.80 0.00 0.00 33.01 32.05 3d91 s GLN 106 CO 0.25 0.22 0.90 -1.64 -0.50 0.00 0.00 175.29 174.52 3d91 s MET 107 N 0.12 4.67 -0.07 1.67 -1.94 -1.26 -2.04 119.30 120.44 3d91 s MET 107 Ca -0.06 1.36 -0.30 0.00 -1.71 0.00 0.00 55.69 54.98 3d91 s MET 107 Cb -0.12 -3.35 0.07 0.00 2.01 0.00 0.00 34.83 33.44 3d91 s MET 107 CO 0.03 0.31 0.69 -0.59 -0.01 0.00 0.00 175.02 175.44 3d91 s PHE 108 N -0.30 -0.67 -0.18 -0.03 -0.71 -0.59 -4.73 117.98 110.78 3d91 s PHE 108 Ca 0.43 1.20 -0.23 0.00 -1.04 0.00 0.00 56.93 57.29 3d91 s PHE 108 Cb -0.23 0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 3d91 s PHE 108 CO 0.29 -0.58 0.72 0.20 -1.34 0.00 0.00 175.22 174.50 3d91 s GLY 109 N -1.04 2.07 -0.65 1.99 0.00 0.66 -1.20 107.32 109.15 3d91 s GLY 109 Ca -0.10 -0.14 -0.24 0.00 0.00 0.00 0.00 44.72 44.25 3d91 s GLY 109 CO 0.09 1.46 1.03 -0.54 0.00 0.00 0.00 173.10 175.14 3d91 s GLU 110 N 2.01 3.17 0.17 2.90 2.02 0.15 -1.96 118.70 127.16 3d91 s GLU 110 Ca 0.33 -0.60 -0.27 0.00 0.02 0.00 0.00 54.97 54.44 3d91 s GLU 110 Cb -0.16 -4.19 -0.08 0.00 0.10 0.00 0.00 34.13 29.81 3d91 s GLU 110 CO 0.11 -1.82 0.84 0.08 0.02 0.00 0.00 175.26 174.49 3d91 s VAL 111 N 4.39 4.33 0.00 2.63 1.01 0.17 -2.69 120.40 130.23 3d91 s VAL 111 Ca 0.26 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.09 3d91 s VAL 111 Cb -0.14 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3d91 s VAL 111 CO 0.13 0.48 0.00 0.35 0.00 0.00 0.00 175.10 176.06 3d91 n THR 112 N 1.79 0.00 -4.51 3.92 -2.24 -0.82 -1.34 114.28 111.08 3d91 n THR 112 Ca -0.04 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 3d91 n THR 112 Cb 0.48 0.31 -0.16 0.00 -2.10 0.00 0.00 70.33 68.87 3d91 n THR 112 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3d91 s GLU 113 N -0.74 3.15 -0.29 -0.78 -1.05 -0.47 -4.26 118.70 114.27 3d91 s GLU 113 Ca 0.00 -0.78 -0.03 0.00 -0.15 0.00 0.00 54.97 54.02 3d91 s GLU 113 Cb 0.00 -2.59 0.09 0.00 -0.44 0.00 0.00 34.13 31.20 3d91 s GLU 113 CO 0.00 -0.02 0.11 1.41 0.95 0.00 0.00 175.26 177.71 3d91 s MET 114 N 0.88 0.44 0.35 -4.83 1.75 -1.26 -2.97 119.30 113.66 3d91 s MET 114 Ca -0.05 -0.73 -0.29 0.00 -1.25 0.00 0.00 55.69 53.38 3d91 s MET 114 Cb -0.15 -1.61 -0.11 0.00 2.84 0.00 0.00 34.83 35.80 3d91 s MET 114 CO -0.02 -0.96 1.47 -1.25 -0.65 0.00 0.00 175.02 173.61 3d91 s PRO 115 N 1.88 4.16 0.15 4.11 0.04 -1.26 -4.46 135.00 139.62 3d91 s PRO 115 Ca 0.08 2.50 -0.17 0.00 0.04 0.00 0.00 61.00 63.45 3d91 s PRO 115 Cb -0.17 -3.00 0.05 0.00 0.04 0.00 0.00 34.50 31.43 3d91 s PRO 115 CO -0.29 -0.49 1.73 0.00 0.04 0.00 0.00 177.00 177.99 3d91 h ALA 116 N 3.42 0.33 -2.91 8.56 0.00 -1.98 -3.05 119.26 123.63 3d91 h ALA 116 Ca -0.50 0.07 -0.63 0.00 0.00 0.00 0.00 54.91 53.85 3d91 h ALA 116 Cb 1.23 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 3d91 h ALA 116 CO 0.67 -0.36 -0.43 -0.51 0.00 0.00 0.00 179.25 178.63 3d91 s LEU 117 N -10.38 4.06 0.00 0.00 1.43 -1.26 0.18 118.68 112.71 3d91 s LEU 117 Ca -0.13 0.14 0.21 0.00 -1.03 0.00 0.00 54.13 53.32 3d91 s LEU 117 Cb 0.12 -2.22 0.54 0.00 0.03 0.00 0.00 46.19 44.67 3d91 s LEU 117 CO 0.70 -0.05 1.46 -0.81 0.23 0.00 0.00 176.35 177.89 3d91 n PRO 118 N 4.83 2.45 0.20 1.29 -0.04 -1.26 -4.88 135.00 137.60 3d91 n PRO 118 Ca -0.13 -2.23 0.12 0.00 -0.04 0.00 0.00 63.50 61.22 3d91 n PRO 118 Cb 0.52 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.61 3d91 n PRO 118 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3d91 h PHE 119 N 3.93 0.00 0.00 0.54 0.04 -0.18 -3.14 116.94 118.12 3d91 h PHE 119 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3d91 h PHE 119 Cb 0.88 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.03 3d91 h PHE 119 CO 0.35 0.02 0.00 0.00 -0.60 0.00 0.00 178.31 178.08 3d91 n MET 120 N -3.04 0.14 0.00 1.51 0.00 0.46 -1.38 117.12 114.82 3d91 n MET 120 Ca 0.03 0.49 0.11 0.00 0.00 0.00 0.00 57.70 58.33 3d91 n MET 120 Cb 0.54 -1.84 -0.02 0.00 0.00 0.00 0.00 33.22 31.90 3d91 n MET 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3d91 n LEU 121 N -2.12 1.61 -4.67 3.17 4.77 -1.19 -4.93 117.00 113.64 3d91 n LEU 121 Ca 0.01 -0.63 -0.43 0.00 -0.03 0.00 0.00 56.01 54.93 3d91 n LEU 121 Cb 0.14 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3d91 n LEU 121 CO 0.14 0.32 0.95 0.00 -1.33 0.00 0.00 177.39 177.48 3d91 s ALA 122 N -2.66 3.58 0.23 -1.18 0.00 -0.48 -4.89 121.76 116.36 3d91 s ALA 122 Ca 0.15 0.41 0.17 0.00 0.00 0.00 0.00 51.96 52.69 3d91 s ALA 122 Cb 0.17 -3.54 0.69 0.00 0.00 0.00 0.00 23.12 20.45 3d91 s ALA 122 CO 0.67 -0.93 1.75 0.93 0.00 0.00 0.00 175.76 178.18 3d91 h GLU 123 N 7.61 0.00 -7.14 0.00 4.39 -1.92 -3.45 114.58 114.07 3d91 h GLU 123 Ca -0.27 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.94 3d91 h GLU 123 Cb 1.11 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.79 3d91 h GLU 123 CO 0.93 0.39 0.30 -0.59 -1.16 0.00 0.00 179.01 178.89 3d91 s PHE 124 N -3.73 3.53 -0.13 4.33 -0.71 -1.26 -4.99 117.98 115.01 3d91 s PHE 124 Ca -0.01 1.24 0.15 0.00 -1.04 0.00 0.00 56.93 57.28 3d91 s PHE 124 Cb 0.12 -2.64 -0.24 0.00 -1.21 0.00 0.00 43.02 39.05 3d91 s PHE 124 CO 0.70 -0.41 0.34 -0.25 -1.34 0.00 0.00 175.22 174.26 3d91 n ASP 125 N -1.98 0.43 -3.10 1.98 8.00 0.41 -4.98 116.55 117.30 3d91 n ASP 125 Ca 0.05 0.19 -0.17 0.00 0.71 0.00 0.00 54.79 55.57 3d91 n ASP 125 Cb 0.54 0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 42.08 3d91 n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d91 n GLY 126 N 1.67 2.56 3.13 0.44 0.00 0.79 -4.17 105.19 109.60 3d91 n GLY 126 Ca -0.26 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 3d91 n GLY 126 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d91 s VAL 127 N -3.10 0.14 -0.06 1.61 -7.23 -1.15 -0.98 120.40 109.63 3d91 s VAL 127 Ca 0.35 -1.14 -0.00 0.00 -1.81 0.00 0.00 61.98 59.37 3d91 s VAL 127 Cb 0.01 -0.99 0.03 0.00 0.56 0.00 0.00 36.38 35.98 3d91 s VAL 127 CO 0.25 -0.63 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.71 3d91 s VAL 128 N -2.84 0.37 -0.02 1.32 1.01 0.11 -2.54 120.40 117.81 3d91 s VAL 128 Ca -0.03 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 3d91 s VAL 128 Cb 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 3d91 s VAL 128 CO -0.06 0.23 0.60 -0.83 0.00 0.00 0.00 175.10 175.05 3d91 s GLY 129 N 1.55 2.60 -0.05 4.51 0.00 0.99 -0.87 107.32 116.05 3d91 s GLY 129 Ca -0.02 0.03 0.11 0.00 0.00 0.00 0.00 44.72 44.85 3d91 s GLY 129 CO -0.03 0.82 1.25 1.03 0.00 0.00 0.00 173.10 176.17 3d91 n MET 130 N 2.95 2.81 -1.29 2.90 2.81 0.29 -4.48 117.12 123.11 3d91 n MET 130 Ca -0.06 -2.18 -0.07 0.00 -1.81 0.00 0.00 57.70 53.57 3d91 n MET 130 Cb 0.51 -1.38 0.04 0.00 -0.71 0.00 0.00 33.22 31.68 3d91 n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d91 n GLY 131 N 0.00 0.84 3.86 3.03 0.00 -0.49 -4.75 105.19 107.69 3d91 n GLY 131 Ca 0.12 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 3d91 n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d91 s PHE 132 N -0.78 3.13 -0.88 1.61 0.40 -1.26 -4.68 117.98 115.52 3d91 s PHE 132 Ca 0.21 1.02 0.22 0.00 -0.60 0.00 0.00 56.93 57.78 3d91 s PHE 132 Cb -0.01 -3.16 0.88 0.00 0.51 0.00 0.00 43.02 41.25 3d91 s PHE 132 CO 0.14 -1.44 1.68 1.51 0.70 0.00 0.00 175.22 177.81 3d91 n ILE 133 N -3.17 0.63 0.42 0.64 3.06 -1.26 -1.87 119.36 117.81 3d91 n ILE 133 Ca 0.07 0.11 0.13 0.00 -2.50 0.00 0.00 62.75 60.56 3d91 n ILE 133 Cb 0.58 -0.83 0.39 0.00 0.54 0.00 0.00 39.64 40.31 3d91 n ILE 133 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 3d91 h GLU 134 N 0.00 0.00 -0.31 9.51 3.07 -1.93 -2.94 114.58 121.98 3d91 h GLU 134 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3d91 h GLU 134 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3d91 h GLU 134 CO 0.00 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.65 3d91 n GLN 135 N -2.63 2.18 -3.24 2.33 1.13 -0.78 -4.99 117.38 111.37 3d91 n GLN 135 Ca 0.04 -1.95 -0.39 0.00 -1.94 0.00 0.00 57.00 52.76 3d91 n GLN 135 Cb 0.41 -1.35 -0.06 0.00 0.11 0.00 0.00 30.24 29.35 3d91 n GLN 135 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3d91 s ALA 136 N -1.12 3.50 -0.04 -1.58 0.00 -1.11 -4.36 121.76 117.05 3d91 s ALA 136 Ca 0.27 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 3d91 s ALA 136 Cb 0.15 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 3d91 s ALA 136 CO 0.21 -0.28 1.32 0.42 0.00 0.00 0.00 175.76 177.44 3d91 s ILE 137 N 1.26 3.98 0.00 0.00 1.09 -1.26 -1.99 121.20 124.28 3d91 s ILE 137 Ca 0.26 1.31 0.00 0.00 -1.10 0.00 0.00 60.65 61.13 3d91 s ILE 137 Cb -0.15 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.40 3d91 s ILE 137 CO 0.10 -0.02 0.00 0.61 -0.10 0.00 0.00 174.94 175.54 3d91 n GLY 138 N 3.55 0.77 3.97 6.18 0.00 -1.26 -3.87 105.19 114.54 3d91 n GLY 138 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3d91 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d91 n ARG 139 N -2.26 -2.73 -2.57 1.61 1.74 -0.84 -4.92 116.66 106.69 3d91 n ARG 139 Ca 0.00 0.32 -0.40 0.00 -0.77 0.00 0.00 57.85 57.00 3d91 n ARG 139 Cb 0.00 -5.01 -0.05 0.00 -1.02 0.00 0.00 32.46 26.38 3d91 n ARG 139 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d91 s VAL 140 N -3.10 3.79 0.01 1.55 1.01 -1.25 -4.96 120.40 117.45 3d91 s VAL 140 Ca 0.64 1.70 -0.32 0.00 0.00 0.00 0.00 61.98 64.00 3d91 s VAL 140 Cb -0.35 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 3d91 s VAL 140 CO 0.78 0.37 1.92 0.41 0.00 0.00 0.00 175.10 178.58 3d91 n THR 141 N 1.69 0.65 -1.32 3.92 -1.04 -1.26 -4.85 114.28 112.07 3d91 n THR 141 Ca -0.00 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.05 61.60 3d91 n THR 141 Cb 0.46 -2.14 0.12 0.00 -1.82 0.00 0.00 70.33 66.96 3d91 n THR 141 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3d91 s PRO 142 N 4.05 1.48 0.15 -2.82 0.04 -1.26 -4.72 135.00 131.93 3d91 s PRO 142 Ca 0.89 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 3d91 s PRO 142 Cb -0.53 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3d91 s PRO 142 CO 0.45 -2.06 1.55 0.97 0.04 0.00 0.00 177.00 177.94 3d91 h ILE 143 N -1.42 1.27 -0.31 0.56 2.10 -1.85 -1.98 117.51 115.88 3d91 h ILE 143 Ca -0.49 -1.34 -0.13 0.00 1.08 0.00 0.00 64.86 63.98 3d91 h ILE 143 Cb 1.28 1.13 -0.01 0.00 -1.09 0.00 0.00 36.82 38.13 3d91 h ILE 143 CO 0.56 0.46 -0.34 0.15 -1.08 0.00 0.00 178.15 177.90 3d91 h PHE 144 N 0.81 0.81 -0.29 2.19 3.57 -1.92 -1.00 116.94 121.12 3d91 h PHE 144 Ca 0.11 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3d91 h PHE 144 Cb 0.76 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3d91 h PHE 144 CO 0.05 0.94 0.19 -0.44 -2.23 0.00 0.00 178.31 176.82 3d91 h ASP 145 N 0.58 0.33 -0.70 0.41 5.19 -1.90 -1.83 116.42 118.50 3d91 h ASP 145 Ca 0.06 -0.01 0.17 0.00 -0.62 0.00 0.00 57.03 56.63 3d91 h ASP 145 Cb 0.86 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.25 3d91 h ASP 145 CO 0.07 0.24 0.48 0.78 -3.12 0.00 0.00 179.24 177.70 3d91 h ASN 146 N 0.39 0.20 1.02 6.45 2.35 -0.83 -1.53 115.58 123.63 3d91 h ASN 146 Ca 0.11 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.69 3d91 h ASN 146 Cb -0.04 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3d91 h ASN 146 CO -0.02 0.10 -1.03 0.40 -1.65 0.00 0.00 177.43 175.22 3d91 h ILE 147 N 0.21 1.04 -0.08 2.81 2.04 -0.68 -3.29 117.51 119.55 3d91 h ILE 147 Ca 0.34 -2.61 -0.15 0.00 1.00 0.00 0.00 64.86 63.45 3d91 h ILE 147 Cb 1.05 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 3d91 h ILE 147 CO -0.07 0.59 -0.59 0.40 0.00 0.00 0.00 178.15 178.49 3d91 h ILE 148 N 0.00 1.37 0.00 -0.67 2.04 -0.51 -2.71 117.51 117.04 3d91 h ILE 148 Ca -0.08 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 63.85 3d91 h ILE 148 Cb 1.64 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 3d91 h ILE 148 CO 0.08 0.57 0.00 -1.20 0.00 0.00 0.00 178.15 177.61 3d91 n SER 149 N -3.89 0.27 0.03 1.72 7.64 -0.66 -1.82 113.62 116.90 3d91 n SER 149 Ca -0.02 0.57 -0.08 0.00 1.01 0.00 0.00 58.87 60.35 3d91 n SER 149 Cb 0.61 -0.63 -0.13 0.00 -1.01 0.00 0.00 64.21 63.05 3d91 n SER 149 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3d91 h GLN 150 N 0.00 0.01 -5.05 1.43 4.20 -1.57 -3.49 115.11 110.64 3d91 h GLN 150 Ca 0.00 -0.01 -0.25 0.00 0.06 0.00 0.00 58.65 58.45 3d91 h GLN 150 Cb 0.26 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.19 3d91 h GLN 150 CO 0.00 0.84 -0.67 0.41 -0.67 0.00 0.00 178.83 178.74 3d91 n GLY 151 N 1.42 -0.45 0.00 3.46 0.00 -0.76 -4.97 105.19 103.90 3d91 n GLY 151 Ca -0.06 0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 3d91 n GLY 151 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3d91 n VAL 152 N -3.37 0.00 -1.96 1.61 0.24 -1.26 -3.72 118.33 109.87 3d91 n VAL 152 Ca -0.18 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 3d91 n VAL 152 Cb 0.63 -0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 3d91 n VAL 152 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3d91 s LEU 153 N -3.93 4.38 0.48 1.34 1.43 -1.26 -1.15 118.68 119.96 3d91 s LEU 153 Ca -0.00 2.84 0.29 0.00 -1.03 0.00 0.00 54.13 56.23 3d91 s LEU 153 Cb 0.00 -3.65 0.94 0.00 0.03 0.00 0.00 46.19 43.51 3d91 s LEU 153 CO 0.00 -0.71 1.82 0.50 0.23 0.00 0.00 176.35 178.19 3d91 h LYS 154 N 3.59 0.00 -3.12 1.70 3.64 -1.52 -3.42 116.57 117.43 3d91 h LYS 154 Ca -0.49 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.77 3d91 h LYS 154 Cb 1.23 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.85 3d91 h LYS 154 CO 0.68 0.00 -0.31 -1.21 -2.27 0.00 0.00 179.45 176.33 3d91 s GLU 155 N -3.46 0.64 -1.39 1.90 2.02 -1.13 -4.96 118.70 112.31 3d91 s GLU 155 Ca 0.04 -0.24 -0.09 0.00 0.02 0.00 0.00 54.97 54.70 3d91 s GLU 155 Cb 0.08 0.28 0.08 0.00 0.10 0.00 0.00 34.13 34.67 3d91 s GLU 155 CO 0.59 -0.17 2.31 -0.25 0.02 0.00 0.00 175.26 177.75 3d91 n ASP 156 N 1.29 6.48 -3.87 -0.19 8.00 -1.26 -4.14 116.55 122.87 3d91 n ASP 156 Ca -0.22 -2.97 -0.09 0.00 0.71 0.00 0.00 54.79 52.22 3d91 n ASP 156 Cb 0.56 -1.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.09 3d91 n ASP 156 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3d91 s VAL 157 N 0.76 0.13 -0.00 2.53 -7.23 -1.26 -1.12 120.40 114.21 3d91 s VAL 157 Ca 0.51 -1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 59.57 3d91 s VAL 157 Cb 0.15 -1.15 -0.00 0.00 0.56 0.00 0.00 36.38 35.93 3d91 s VAL 157 CO -0.05 -0.61 0.03 0.72 -0.31 0.00 0.00 175.10 174.88 3d91 s PHE 158 N -3.28 0.06 0.00 2.82 -0.12 -1.07 0.22 117.98 116.61 3d91 s PHE 158 Ca 0.01 -0.13 0.06 0.00 -0.05 0.00 0.00 56.93 56.82 3d91 s PHE 158 Cb 0.02 -0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 3d91 s PHE 158 CO -0.08 -0.11 -0.19 -1.12 -0.05 0.00 0.00 175.22 173.67 3d91 s SER 159 N -0.61 2.27 -0.15 1.98 0.01 0.97 -1.20 113.70 116.97 3d91 s SER 159 Ca -0.07 -0.39 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 3d91 s SER 159 Cb -0.04 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 3d91 s SER 159 CO -0.00 0.21 -0.01 -0.36 0.41 0.00 0.00 173.24 173.48 3d91 s PHE 160 N -0.55 3.08 -0.11 2.43 0.40 0.33 -1.13 117.98 122.44 3d91 s PHE 160 Ca 0.07 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.28 3d91 s PHE 160 Cb -0.08 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 3d91 s PHE 160 CO -0.00 0.08 -0.21 -0.47 0.70 0.00 0.00 175.22 175.32 3d91 s TYR 161 N 0.16 2.63 -0.27 0.36 5.04 0.12 -2.21 117.35 123.19 3d91 s TYR 161 Ca -0.00 -0.89 0.01 0.00 -2.44 0.00 0.00 57.07 53.75 3d91 s TYR 161 Cb -0.13 -1.74 0.07 0.00 0.35 0.00 0.00 41.96 40.51 3d91 s TYR 161 CO 0.02 -0.33 -0.01 0.71 -1.34 0.00 0.00 175.55 174.60 3d91 s TYR 162 N 0.29 2.51 0.83 4.97 1.51 -1.26 -0.66 117.35 125.54 3d91 s TYR 162 Ca -0.15 -1.97 -0.12 0.00 -1.01 0.00 0.00 57.07 53.82 3d91 s TYR 162 Cb -0.17 -1.84 0.09 0.00 -0.11 0.00 0.00 41.96 39.93 3d91 s TYR 162 CO 0.08 -0.82 1.11 1.21 -1.11 0.00 0.00 175.55 176.01 3d91 s ASN 163 N 1.35 4.24 0.38 2.29 3.84 -0.69 -3.94 114.94 122.42 3d91 s ASN 163 Ca -0.00 1.23 -0.07 0.00 0.21 0.00 0.00 52.86 54.23 3d91 s ASN 163 Cb -0.19 -1.93 -0.05 0.00 -0.55 0.00 0.00 41.25 38.53 3d91 s ASN 163 CO -0.10 -2.12 0.69 -0.13 -2.79 0.00 0.00 177.10 172.66 3d91 s ARG 164 N -5.18 3.66 0.00 0.43 0.52 -1.26 -4.91 118.95 112.21 3d91 s ARG 164 Ca 0.61 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 56.04 3d91 s ARG 164 Cb -0.15 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.84 3d91 s ARG 164 CO 0.54 0.01 0.14 -3.47 0.02 0.00 0.00 175.30 172.55 3d91 n ASP 165 N -1.44 0.00 -3.60 0.23 -0.08 -1.26 -4.99 116.55 105.41 3d91 n ASP 165 Ca 0.00 0.14 -0.09 0.00 -1.51 0.00 0.00 54.79 53.33 3d91 n ASP 165 Cb 0.54 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.95 3d91 n ASP 165 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3d91 s SER 166 N -1.85 -0.36 0.00 1.67 1.04 -1.26 -4.82 113.70 108.12 3d91 s SER 166 Ca 0.00 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.91 3d91 s SER 166 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3d91 s SER 166 CO 0.00 -0.26 0.00 -0.24 0.98 0.00 0.00 173.24 173.72 3d91 n SER 171 N 1.10 0.00 -4.73 7.02 2.88 -1.26 -5.23 113.62 113.41 3d91 n SER 171 Ca -0.10 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.04 3d91 n SER 171 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.99 3d91 n SER 171 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3d91 s LEU 172 N 0.00 4.39 0.33 2.46 2.96 -1.26 -4.99 118.68 122.57 3d91 s LEU 172 Ca 0.00 1.38 0.25 0.00 -0.22 0.00 0.00 54.13 55.54 3d91 s LEU 172 Cb 0.00 -3.22 0.60 0.00 0.50 0.00 0.00 46.19 44.07 3d91 s LEU 172 CO 0.00 -0.06 1.70 1.23 -1.32 0.00 0.00 176.35 177.90 3d91 h GLY 173 N 6.18 0.00 0.00 7.98 0.00 -1.80 -3.43 103.07 112.00 3d91 h GLY 173 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3d91 h GLY 173 CO 0.73 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.88 3d91 n GLY 174 N 1.16 -0.13 3.64 4.60 0.00 -1.14 -1.70 105.19 111.63 3d91 n GLY 174 Ca 0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 3d91 n GLY 174 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d91 s GLN 175 N -1.86 0.39 -0.19 1.61 0.74 0.16 -0.93 119.66 119.60 3d91 s GLN 175 Ca 0.00 0.64 -0.05 0.00 0.05 0.00 0.00 55.36 56.00 3d91 s GLN 175 Cb 0.00 0.10 -0.03 0.00 1.10 0.00 0.00 33.01 34.19 3d91 s GLN 175 CO 0.00 -0.08 -0.01 -1.50 -0.55 0.00 0.00 175.29 173.16 3d91 s ILE 176 N 1.13 3.94 -0.15 -2.34 2.07 -0.74 0.14 121.20 125.24 3d91 s ILE 176 Ca -0.07 -0.32 -0.10 0.00 -1.41 0.00 0.00 60.65 58.75 3d91 s ILE 176 Cb -0.04 -2.77 -0.05 0.00 0.13 0.00 0.00 42.46 39.74 3d91 s ILE 176 CO -0.13 0.45 0.19 -0.69 -1.91 0.00 0.00 174.94 172.84 3d91 s VAL 177 N 0.82 5.38 -0.21 4.00 1.01 -0.29 -0.28 120.40 130.84 3d91 s VAL 177 Ca 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 3d91 s VAL 177 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3d91 s VAL 177 CO 0.02 0.48 0.06 -0.76 0.00 0.00 0.00 175.10 174.91 3d91 s LEU 178 N -0.08 3.63 0.00 3.92 1.43 -0.60 -0.02 118.68 126.95 3d91 s LEU 178 Ca 0.13 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3d91 s LEU 178 Cb -0.12 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3d91 s LEU 178 CO 0.02 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.29 3d91 n GLY 179 N 4.14 0.37 0.00 -3.19 0.00 0.58 -2.62 105.19 104.47 3d91 n GLY 179 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3d91 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d91 n GLY 180 N -2.00 -1.17 3.84 -0.02 0.00 -1.23 -2.86 105.19 101.76 3d91 n GLY 180 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 3d91 n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d91 s SER 181 N -4.00 4.93 -0.30 1.61 1.04 -1.26 -3.67 113.70 112.05 3d91 s SER 181 Ca 0.00 -0.80 -0.02 0.00 0.48 0.00 0.00 55.95 55.61 3d91 s SER 181 Cb 0.00 -0.58 0.05 0.00 0.10 0.00 0.00 66.02 65.58 3d91 s SER 181 CO 0.00 -0.60 0.00 -0.62 0.98 0.00 0.00 173.24 173.01 3d91 s ASP 182 N -4.07 4.91 0.58 7.02 2.15 -1.26 -4.99 116.67 121.01 3d91 s ASP 182 Ca 0.46 -1.25 0.28 0.00 0.43 0.00 0.00 52.55 52.47 3d91 s ASP 182 Cb -0.02 -1.72 1.64 0.00 -0.30 0.00 0.00 42.92 42.52 3d91 s ASP 182 CO 0.27 -0.26 2.10 -0.65 -0.17 0.00 0.00 175.17 176.46 3d91 h PRO 183 N 8.01 0.00 0.00 4.34 0.11 -1.99 -2.64 132.00 139.83 3d91 h PRO 183 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3d91 h PRO 183 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3d91 h PRO 183 CO 0.54 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 3d91 n GLN 184 N -3.86 0.03 0.00 1.05 10.64 -1.26 -2.53 117.38 121.46 3d91 n GLN 184 Ca 0.02 0.33 0.00 0.00 -1.83 0.00 0.00 57.00 55.52 3d91 n GLN 184 Cb 0.32 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 3d91 n GLN 184 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3d91 n HIS 185 N -1.44 0.00 -3.91 2.61 8.25 -1.00 -4.82 115.22 114.92 3d91 n HIS 185 Ca 0.02 -0.30 -0.09 0.00 -0.26 0.00 0.00 57.72 57.09 3d91 n HIS 185 Cb 0.08 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 3d91 n HIS 185 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3d91 s TYR 186 N -0.60 0.28 0.26 4.41 1.13 -1.05 -1.42 117.35 120.37 3d91 s TYR 186 Ca 0.00 -0.67 0.06 0.00 -1.41 0.00 0.00 57.07 55.05 3d91 s TYR 186 Cb 0.00 -0.05 -0.06 0.00 -1.10 0.00 0.00 41.96 40.76 3d91 s TYR 186 CO 0.00 -0.65 -0.06 -1.83 -2.51 0.00 0.00 175.55 170.50 3d91 s GLU 187 N -3.92 1.49 1.92 -3.49 -1.05 -0.66 -4.77 118.70 108.22 3d91 s GLU 187 Ca 0.12 -1.74 0.00 0.00 -0.15 0.00 0.00 54.97 53.19 3d91 s GLU 187 Cb 0.04 -1.06 0.00 0.00 -0.44 0.00 0.00 34.13 32.67 3d91 s GLU 187 CO -0.05 0.03 0.00 0.41 0.95 0.00 0.00 175.26 176.60 3d91 n GLY 188 N -0.53 -1.11 3.67 -3.83 0.00 -1.26 -3.79 105.19 98.35 3d91 n GLY 188 Ca -0.06 -1.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 3d91 n GLY 188 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d91 s ASN 189 N -4.00 4.64 0.30 1.61 0.01 -1.26 -5.00 114.94 111.23 3d91 s ASN 189 Ca 0.00 -0.64 -0.29 0.00 -0.71 0.00 0.00 52.86 51.22 3d91 s ASN 189 Cb 0.00 -0.87 -0.10 0.00 0.41 0.00 0.00 41.25 40.69 3d91 s ASN 189 CO 0.00 -0.06 1.21 -0.36 -1.51 0.00 0.00 177.10 176.38 3d91 s PHE 190 N -2.33 3.32 0.00 2.20 0.08 -1.26 -4.71 117.98 115.28 3d91 s PHE 190 Ca 0.33 1.54 0.02 0.00 0.12 0.00 0.00 56.93 58.93 3d91 s PHE 190 Cb -0.06 -3.48 -0.04 0.00 -0.57 0.00 0.00 43.02 38.87 3d91 s PHE 190 CO 0.21 -1.23 -0.01 -1.01 -0.10 0.00 0.00 175.22 173.07 3d91 s HIS 191 N -1.04 3.03 0.00 0.36 3.76 -0.48 -4.92 115.29 116.01 3d91 s HIS 191 Ca 0.47 0.05 0.07 0.00 -0.15 0.00 0.00 55.06 55.51 3d91 s HIS 191 Cb -0.36 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.66 3d91 s HIS 191 CO 0.46 0.44 -0.23 0.71 -0.85 0.00 0.00 174.74 175.27 3d91 s TYR 192 N -1.08 2.04 -0.04 1.40 2.02 -1.26 -1.16 117.35 119.27 3d91 s TYR 192 Ca 0.19 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 3d91 s TYR 192 Cb -0.11 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.17 3d91 s TYR 192 CO 0.10 0.02 -0.13 0.42 -1.57 0.00 0.00 175.55 174.39 3d91 s ILE 193 N -0.63 1.09 0.63 2.71 1.09 -0.78 -4.88 121.20 120.43 3d91 s ILE 193 Ca 0.09 -0.52 -0.14 0.00 -1.10 0.00 0.00 60.65 58.99 3d91 s ILE 193 Cb -0.09 -0.96 -0.02 0.00 -1.06 0.00 0.00 42.46 40.34 3d91 s ILE 193 CO 0.00 0.33 1.05 0.20 -0.10 0.00 0.00 174.94 176.42 3d91 s ASN 194 N 0.19 5.66 0.30 3.58 0.02 -1.26 -1.42 114.94 122.01 3d91 s ASN 194 Ca -0.05 1.72 -0.28 0.00 -1.02 0.00 0.00 52.86 53.23 3d91 s ASN 194 Cb -0.11 -2.52 -0.09 0.00 0.02 0.00 0.00 41.25 38.55 3d91 s ASN 194 CO 0.02 -1.25 1.03 -0.76 0.02 0.00 0.00 177.10 176.16 3d91 s LEU 195 N -4.92 4.48 0.10 0.60 1.43 -0.86 -4.70 118.68 114.81 3d91 s LEU 195 Ca 0.61 2.10 -0.28 0.00 -1.03 0.00 0.00 54.13 55.53 3d91 s LEU 195 Cb -0.15 -3.77 -0.11 0.00 0.03 0.00 0.00 46.19 42.20 3d91 s LEU 195 CO 0.44 -0.13 1.46 0.40 0.23 0.00 0.00 176.35 178.76 3d91 h ILE 196 N 2.89 0.00 -3.93 -0.59 2.04 -1.75 -3.42 117.51 112.74 3d91 h ILE 196 Ca -0.47 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.20 3d91 h ILE 196 Cb 1.21 0.00 -0.23 0.00 -0.74 0.00 0.00 36.82 37.06 3d91 h ILE 196 CO 0.66 0.00 -0.71 -1.59 0.00 0.00 0.00 178.15 176.51 3d91 s LYS 197 N -5.26 0.27 0.67 2.37 0.00 -1.26 -5.11 119.74 111.43 3d91 s LYS 197 Ca -0.13 -0.49 -0.17 0.00 0.00 0.00 0.00 55.97 55.18 3d91 s LYS 197 Cb 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 37.83 37.91 3d91 s LYS 197 CO 0.51 -0.03 0.88 -2.37 0.00 0.00 0.00 175.35 174.34 3d91 n THR 198 N 1.92 3.00 0.00 3.79 5.66 -1.26 -3.98 114.28 123.41 3d91 n THR 198 Ca -0.21 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 3d91 n THR 198 Cb 0.56 -1.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.30 3d91 n THR 198 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3d91 n GLY 199 N 1.29 2.40 3.63 1.09 0.00 -1.26 -5.06 105.19 107.27 3d91 n GLY 199 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 3d91 n GLY 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d91 s VAL 200 N -2.21 0.00 -1.26 1.61 0.11 -1.26 -4.31 120.40 113.09 3d91 s VAL 200 Ca 0.00 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 3d91 s VAL 200 Cb 0.00 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.99 3d91 s VAL 200 CO 0.00 0.00 1.61 0.79 -3.33 0.00 0.00 175.10 174.17 3d91 n TRP 201 N 2.63 4.58 -3.74 1.54 7.02 -1.26 -4.86 117.44 123.35 3d91 n TRP 201 Ca -0.14 -3.13 -0.13 0.00 -1.02 0.00 0.00 57.50 53.08 3d91 n TRP 201 Cb 0.55 -2.31 -0.13 0.00 -2.42 0.00 0.00 31.31 27.00 3d91 n TRP 201 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 3d91 s GLN 202 N 2.26 0.19 0.33 -0.99 0.74 -1.26 -1.90 119.66 119.03 3d91 s GLN 202 Ca 0.46 0.48 0.08 0.00 0.05 0.00 0.00 55.36 56.43 3d91 s GLN 202 Cb 0.01 -0.12 -0.06 0.00 1.10 0.00 0.00 33.01 33.94 3d91 s GLN 202 CO 0.02 -0.16 -0.07 0.96 -0.55 0.00 0.00 175.29 175.49 3d91 s ILE 203 N 1.17 2.03 0.13 -2.34 -4.36 0.21 -2.07 121.20 115.97 3d91 s ILE 203 Ca -0.09 -2.16 -0.30 0.00 -0.26 0.00 0.00 60.65 57.85 3d91 s ILE 203 Cb -0.10 -2.64 -0.06 0.00 1.25 0.00 0.00 42.46 40.91 3d91 s ILE 203 CO -0.07 -0.20 1.03 -1.58 0.24 0.00 0.00 174.94 174.36 3d91 s GLN 204 N -3.66 4.64 -0.07 0.37 2.00 -1.26 0.63 119.66 122.30 3d91 s GLN 204 Ca 0.32 1.58 0.03 0.00 -2.00 0.00 0.00 55.36 55.29 3d91 s GLN 204 Cb 0.04 -3.34 -0.02 0.00 0.80 0.00 0.00 33.01 30.49 3d91 s GLN 204 CO 0.15 0.12 -0.15 1.41 -0.50 0.00 0.00 175.29 176.33 3d91 s MET 205 N -0.06 2.71 0.20 1.67 -2.45 0.14 -4.52 119.30 116.98 3d91 s MET 205 Ca 0.49 -0.70 0.22 0.00 -1.25 0.00 0.00 55.69 54.44 3d91 s MET 205 Cb -0.26 -2.43 -0.00 0.00 1.25 0.00 0.00 34.83 33.39 3d91 s MET 205 CO 0.32 0.52 1.05 0.87 1.05 0.00 0.00 175.02 178.82 3d91 h LYS 206 N 5.69 0.00 0.00 4.11 1.57 -0.95 0.12 116.57 127.11 3d91 h LYS 206 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3d91 h LYS 206 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3d91 h LYS 206 CO 0.51 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.83 3d91 n GLY 207 N 1.20 2.36 2.96 3.86 0.00 -1.15 -4.21 105.19 110.21 3d91 n GLY 207 Ca -0.01 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3d91 n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d91 s VAL 208 N -1.64 1.46 0.04 1.61 1.01 0.26 -1.27 120.40 121.87 3d91 s VAL 208 Ca 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 3d91 s VAL 208 Cb 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 3d91 s VAL 208 CO 0.00 0.18 0.32 -0.44 0.00 0.00 0.00 175.10 175.16 3d91 s SER 209 N 1.48 6.54 -0.40 3.32 0.01 -0.91 -1.53 113.70 122.22 3d91 s SER 209 Ca -0.00 0.64 0.01 0.00 1.31 0.00 0.00 55.95 57.90 3d91 s SER 209 Cb -0.16 -2.12 0.11 0.00 0.21 0.00 0.00 66.02 64.07 3d91 s SER 209 CO -0.08 0.21 0.15 -0.69 0.41 0.00 0.00 173.24 173.24 3d91 s VAL 210 N -1.36 2.79 0.16 3.43 1.01 -0.81 -2.18 120.40 123.45 3d91 s VAL 210 Ca 0.30 -2.33 0.00 0.00 0.00 0.00 0.00 61.98 59.95 3d91 s VAL 210 Cb -0.13 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3d91 s VAL 210 CO 0.17 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.22 3d91 n GLY 211 N 4.27 -1.61 0.25 4.51 0.00 0.20 -4.23 105.19 108.58 3d91 n GLY 211 Ca 0.02 -1.36 0.03 0.00 0.00 0.00 0.00 46.02 44.70 3d91 n GLY 211 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d91 h SER 212 N -0.60 0.00 -3.35 1.61 4.64 -1.94 -3.41 113.55 110.50 3d91 h SER 212 Ca 0.01 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.68 3d91 h SER 212 Cb 0.59 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.48 3d91 h SER 212 CO 0.01 0.00 -0.66 -0.94 -0.87 0.00 0.00 176.83 174.37 3d91 s SER 213 N -3.04 4.90 -0.61 4.97 1.04 -1.26 -5.05 113.70 114.65 3d91 s SER 213 Ca -0.01 -0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.11 3d91 s SER 213 Cb 0.02 -1.66 -0.04 0.00 0.10 0.00 0.00 66.02 64.43 3d91 s SER 213 CO 0.05 0.23 2.06 -0.89 0.98 0.00 0.00 173.24 175.67 3d91 s THR 214 N -0.01 3.24 0.21 2.02 2.01 -1.26 -1.92 115.64 119.94 3d91 s THR 214 Ca 0.01 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.13 3d91 s THR 214 Cb -0.13 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 3d91 s THR 214 CO 0.02 -0.60 1.50 0.25 -0.69 0.00 0.00 174.62 175.10 3d91 h LEU 215 N 17.83 0.25 -7.61 4.42 7.12 -1.61 -3.48 115.31 132.23 3d91 h LEU 215 Ca -0.21 -0.16 -0.08 0.00 0.13 0.00 0.00 57.88 57.56 3d91 h LEU 215 Cb 1.17 -0.07 -0.15 0.00 -0.53 0.00 0.00 40.66 41.08 3d91 h LEU 215 CO 1.19 0.86 -0.25 -0.76 -0.13 0.00 0.00 178.44 179.35 3d91 s LEU 216 N -7.74 0.97 -1.33 2.25 1.43 -0.58 -4.90 118.68 108.78 3d91 s LEU 216 Ca -0.03 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3d91 s LEU 216 Cb 0.11 1.35 0.02 0.00 0.03 0.00 0.00 46.19 47.70 3d91 s LEU 216 CO 0.81 -0.72 0.93 0.00 0.23 0.00 0.00 176.35 177.60 3d91 h GLU 218 N -2.08 0.59 -0.74 0.00 3.07 -1.91 -2.82 114.58 110.69 3d91 h GLU 218 Ca -0.59 -0.23 -0.26 0.00 -0.50 0.00 0.00 59.36 57.78 3d91 h GLU 218 Cb 1.36 -0.03 -0.15 0.00 -0.84 0.00 0.00 28.75 29.08 3d91 h GLU 218 CO 0.56 0.79 0.30 -0.25 -1.40 0.00 0.00 179.01 179.02 3d91 n ASP 219 N -4.47 4.48 0.00 1.42 8.00 -1.26 -4.90 116.55 119.82 3d91 n ASP 219 Ca -0.03 -3.32 0.00 0.00 0.71 0.00 0.00 54.79 52.15 3d91 n ASP 219 Cb 0.33 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 3d91 n ASP 219 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d91 n GLY 220 N -0.40 -2.06 1.58 0.44 0.00 -1.07 -5.11 105.19 98.56 3d91 n GLY 220 Ca 0.43 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 3d91 n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d91 s LEU 222 N 0.00 4.00 -0.04 0.00 1.43 -1.26 0.24 118.68 123.04 3d91 s LEU 222 Ca 0.08 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3d91 s LEU 222 Cb -0.02 -2.63 0.03 0.00 0.03 0.00 0.00 46.19 43.60 3d91 s LEU 222 CO 0.06 0.18 0.04 0.00 0.23 0.00 0.00 176.35 176.86 3d91 s ALA 223 N -1.42 0.30 -0.20 4.21 0.00 0.20 -1.73 121.76 123.13 3d91 s ALA 223 Ca 0.31 0.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.23 3d91 s ALA 223 Cb -0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 3d91 s ALA 223 CO 0.23 -0.43 0.54 -1.17 0.00 0.00 0.00 175.76 174.93 3d91 s LEU 224 N 1.98 4.15 -0.63 0.00 2.96 0.90 0.64 118.68 128.67 3d91 s LEU 224 Ca 0.03 0.70 -0.21 0.00 -0.22 0.00 0.00 54.13 54.43 3d91 s LEU 224 Cb -0.12 -2.74 0.08 0.00 0.50 0.00 0.00 46.19 43.91 3d91 s LEU 224 CO -0.03 -0.19 0.88 -0.69 -1.32 0.00 0.00 176.35 175.00 3d91 s VAL 225 N 1.66 4.47 -0.24 1.68 1.01 -0.80 0.13 120.40 128.33 3d91 s VAL 225 Ca 0.25 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3d91 s VAL 225 Cb -0.15 -4.62 0.04 0.00 0.00 0.00 0.00 36.38 31.65 3d91 s VAL 225 CO 0.10 -1.34 -0.12 -0.62 0.00 0.00 0.00 175.10 173.11 3d91 s ASP 226 N 3.63 4.12 0.29 3.32 2.15 -0.57 -4.62 116.67 124.98 3d91 s ASP 226 Ca 0.19 -1.13 0.25 0.00 0.43 0.00 0.00 52.55 52.29 3d91 s ASP 226 Cb -0.19 -1.56 0.62 0.00 -0.30 0.00 0.00 42.92 41.49 3d91 s ASP 226 CO 0.09 -0.14 1.70 0.71 -0.17 0.00 0.00 175.17 177.37 3d91 h THR 227 N 6.45 0.00 -0.41 1.71 1.35 -1.82 -2.98 112.91 117.21 3d91 h THR 227 Ca -0.28 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3d91 h THR 227 Cb 1.08 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3d91 h THR 227 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3d91 n GLY 228 N 1.23 2.37 3.28 5.82 0.00 -1.26 -4.79 105.19 111.84 3d91 n GLY 228 Ca 0.05 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 3d91 n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d91 s ALA 229 N -2.09 2.32 0.43 4.61 0.00 -1.12 -5.00 121.76 120.90 3d91 s ALA 229 Ca 0.37 -0.96 0.15 0.00 0.00 0.00 0.00 51.96 51.52 3d91 s ALA 229 Cb 0.27 -0.92 0.97 0.00 0.00 0.00 0.00 23.12 23.44 3d91 s ALA 229 CO 0.12 0.31 1.96 0.77 0.00 0.00 0.00 175.76 178.92 3d91 h SER 230 N 6.55 0.00 -2.37 0.00 0.02 -1.87 -1.45 113.55 114.43 3d91 h SER 230 Ca -0.24 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.15 3d91 h SER 230 Cb 1.22 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.63 3d91 h SER 230 CO 0.50 0.22 -0.57 -0.31 -1.14 0.00 0.00 176.83 175.53 3d91 s TYR 231 N -4.49 2.02 0.02 3.45 4.12 -1.26 -3.59 117.35 117.62 3d91 s TYR 231 Ca -0.04 -0.97 -0.30 0.00 0.02 0.00 0.00 57.07 55.78 3d91 s TYR 231 Cb 0.15 -1.42 -0.05 0.00 -1.52 0.00 0.00 41.96 39.12 3d91 s TYR 231 CO 0.69 0.07 1.21 0.42 0.02 0.00 0.00 175.55 177.97 3d91 s ILE 232 N -3.08 4.09 0.21 2.71 1.01 -1.09 -2.81 121.20 122.24 3d91 s ILE 232 Ca 0.28 1.48 0.11 0.00 0.00 0.00 0.00 60.65 62.51 3d91 s ILE 232 Cb 0.06 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3d91 s ILE 232 CO 0.14 0.07 -0.22 -0.94 0.00 0.00 0.00 174.94 173.98 3d91 s SER 233 N 1.26 3.33 0.30 3.58 1.04 -0.69 -1.71 113.70 120.80 3d91 s SER 233 Ca 0.58 -0.90 0.03 0.00 0.48 0.00 0.00 55.95 56.14 3d91 s SER 233 Cb -0.28 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.56 3d91 s SER 233 CO 0.27 0.07 0.16 -0.83 0.98 0.00 0.00 173.24 173.89 3d91 s GLY 234 N -2.85 2.06 1.01 7.32 0.00 -0.98 -1.73 107.32 112.14 3d91 s GLY 234 Ca 0.22 -1.76 -0.15 0.00 0.00 0.00 0.00 44.72 43.03 3d91 s GLY 234 CO 0.10 -1.58 0.19 -1.14 0.00 0.00 0.00 173.10 170.67 3d91 n SER 235 N -0.93 -2.37 -0.24 1.64 3.41 -1.26 -1.12 113.62 112.76 3d91 n SER 235 Ca 0.01 0.17 0.01 0.00 -0.26 0.00 0.00 58.87 58.80 3d91 n SER 235 Cb 0.65 -1.09 0.24 0.00 -0.26 0.00 0.00 64.21 63.74 3d91 n SER 235 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3d91 h THR 236 N -1.70 1.17 0.00 6.66 2.02 -1.92 -2.29 112.91 116.86 3d91 h THR 236 Ca -0.47 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.23 3d91 h THR 236 Cb 1.31 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3d91 h THR 236 CO 0.35 0.19 -0.59 0.77 0.37 0.00 0.00 175.52 176.60 3d91 h SER 237 N 1.04 0.00 -0.01 4.18 4.64 -2.00 0.06 113.55 121.46 3d91 h SER 237 Ca 0.30 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.45 3d91 h SER 237 Cb -0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3d91 h SER 237 CO -0.08 0.59 -0.60 0.28 -0.87 0.00 0.00 176.83 176.15 3d91 h SER 238 N 0.00 0.69 0.54 4.97 0.02 -1.89 -3.20 113.55 114.68 3d91 h SER 238 Ca -0.01 -0.39 -0.29 0.00 -0.84 0.00 0.00 61.79 60.26 3d91 h SER 238 Cb 1.44 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.79 3d91 h SER 238 CO 0.08 1.13 -1.30 0.40 -1.14 0.00 0.00 176.83 176.00 3d91 h ILE 239 N 0.46 1.45 -0.57 3.27 1.08 -1.33 -1.97 117.51 119.89 3d91 h ILE 239 Ca -0.00 -2.98 0.07 0.00 -0.39 0.00 0.00 64.86 61.56 3d91 h ILE 239 Cb 1.17 2.97 -0.10 0.00 -3.07 0.00 0.00 36.82 37.79 3d91 h ILE 239 CO 0.12 0.87 -0.51 -0.33 -0.69 0.00 0.00 178.15 177.61 3d91 h GLU 240 N 0.09 -0.25 -0.57 2.37 3.07 -1.08 -0.87 114.58 117.34 3d91 h GLU 240 Ca -0.16 0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.61 3d91 h GLU 240 Cb 2.02 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.96 3d91 h GLU 240 CO 0.22 -0.17 -0.06 -0.22 -1.40 0.00 0.00 179.01 177.38 3d91 h LYS 241 N -0.26 1.05 -0.64 2.33 3.64 -1.56 -0.38 116.57 120.76 3d91 h LYS 241 Ca 0.14 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 3d91 h LYS 241 Cb 0.56 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3d91 h LYS 241 CO -0.69 1.06 0.27 1.25 -2.27 0.00 0.00 179.45 179.07 3d91 h LEU 242 N 0.94 0.84 -0.19 5.20 5.85 -1.13 -1.53 115.31 125.29 3d91 h LEU 242 Ca 0.16 -0.11 -0.22 0.00 0.84 0.00 0.00 57.88 58.54 3d91 h LEU 242 Cb 0.63 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.45 3d91 h LEU 242 CO 0.04 0.75 -0.88 0.24 -0.34 0.00 0.00 178.44 178.24 3d91 h MET 243 N 0.91 0.55 0.00 1.25 2.86 -0.80 -2.65 114.93 117.05 3d91 h MET 243 Ca 0.22 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3d91 h MET 243 Cb 0.16 0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3d91 h MET 243 CO -0.02 1.15 0.00 0.93 1.06 0.00 0.00 176.91 180.03 3d91 h GLU 244 N 0.34 0.00 0.08 1.72 5.08 -0.76 0.69 114.58 121.73 3d91 h GLU 244 Ca -0.07 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.03 3d91 h GLU 244 Cb 1.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 3d91 h GLU 244 CO 0.16 0.00 -1.13 0.00 -1.00 0.00 0.00 179.01 177.04 3d91 h ALA 245 N 2.01 0.21 -0.13 3.43 0.00 -1.01 -3.30 119.26 120.46 3d91 h ALA 245 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3d91 h ALA 245 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3d91 h ALA 245 CO 0.00 0.98 0.00 1.28 0.00 0.00 0.00 179.25 181.51 3d91 n LEU 246 N -3.56 2.52 -0.13 0.00 4.77 -0.62 -4.91 117.00 115.07 3d91 n LEU 246 Ca -0.07 -0.94 -0.02 0.00 -0.03 0.00 0.00 56.01 54.95 3d91 n LEU 246 Cb 0.96 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.97 3d91 n LEU 246 CO 0.52 0.47 -0.02 0.61 -1.33 0.00 0.00 177.39 177.65 3d91 n GLY 247 N 1.31 0.16 3.74 -0.72 0.00 0.10 -4.93 105.19 104.86 3d91 n GLY 247 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3d91 n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d91 s ALA 248 N -1.12 2.54 -0.12 4.61 0.00 -0.42 -4.98 121.76 122.27 3d91 s ALA 248 Ca 0.00 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.13 3d91 s ALA 248 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3d91 s ALA 248 CO 0.00 -1.37 -0.18 -1.59 0.00 0.00 0.00 175.76 172.62 3d91 s LYS 249 N -3.25 3.22 0.09 0.00 -2.85 0.11 -4.55 119.74 112.52 3d91 s LYS 249 Ca 0.78 -0.77 -0.31 0.00 -1.00 0.00 0.00 55.97 54.67 3d91 s LYS 249 Cb -0.35 -2.50 -0.09 0.00 -2.06 0.00 0.00 37.83 32.82 3d91 s LYS 249 CO 0.39 0.16 1.75 0.21 0.10 0.00 0.00 175.35 177.96 3d91 s LYS 250 N 0.44 4.17 0.00 1.78 2.20 -1.26 -1.62 119.74 125.44 3d91 s LYS 250 Ca -0.13 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 3d91 s LYS 250 Cb -0.17 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 3d91 s LYS 250 CO 0.06 -0.79 0.00 0.54 -0.36 0.00 0.00 175.35 174.79 3d91 n ARG 251 N 5.69 0.85 0.00 4.03 1.74 0.13 -4.93 116.66 124.18 3d91 n ARG 251 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3d91 n ARG 251 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 3d91 n ARG 251 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3d91 n LEU 252 N 0.00 0.00 -0.01 0.55 7.94 -1.26 -4.32 117.00 119.90 3d91 n LEU 252 Ca 0.00 0.57 -0.21 0.00 -1.11 0.00 0.00 56.01 55.25 3d91 n LEU 252 Cb 0.00 -0.07 -0.14 0.00 0.53 0.00 0.00 43.42 43.75 3d91 n LEU 252 CO 0.00 -0.07 -0.82 0.49 -1.11 0.00 0.00 177.39 175.88 3d91 n PHE 253 N -0.98 1.20 -2.76 1.96 3.72 -1.26 -4.99 117.46 114.36 3d91 n PHE 253 Ca 0.00 0.26 -0.22 0.00 -0.05 0.00 0.00 57.45 57.44 3d91 n PHE 253 Cb 0.00 -1.15 0.03 0.00 -0.94 0.00 0.00 39.48 37.41 3d91 n PHE 253 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3d91 s ASP 254 N -7.02 5.52 0.00 4.37 1.47 -1.26 -4.81 116.67 114.95 3d91 s ASP 254 Ca -0.23 0.18 0.02 0.00 1.18 0.00 0.00 52.55 53.70 3d91 s ASP 254 Cb 0.07 -1.23 -0.04 0.00 -0.34 0.00 0.00 42.92 41.39 3d91 s ASP 254 CO 0.75 -0.96 -0.03 -0.31 0.68 0.00 0.00 175.17 175.30 3d91 s TYR 255 N -2.71 3.00 0.05 2.11 2.02 -1.26 -0.69 117.35 119.87 3d91 s TYR 255 Ca 0.53 0.03 0.03 0.00 -0.37 0.00 0.00 57.07 57.29 3d91 s TYR 255 Cb -0.10 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 3d91 s TYR 255 CO 0.39 0.43 -0.10 0.14 -1.57 0.00 0.00 175.55 174.84 3d91 s VAL 256 N -1.05 0.72 0.17 0.71 -7.23 -0.64 -2.61 120.40 110.47 3d91 s VAL 256 Ca 0.19 -1.16 0.10 0.00 -1.81 0.00 0.00 61.98 59.30 3d91 s VAL 256 Cb -0.11 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 3d91 s VAL 256 CO 0.09 -0.34 -0.22 0.68 -0.31 0.00 0.00 175.10 175.00 3d91 s VAL 257 N -1.37 2.12 0.31 1.32 -7.23 -0.47 -0.71 120.40 114.38 3d91 s VAL 257 Ca -0.07 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 57.87 3d91 s VAL 257 Cb -0.10 -1.98 -0.11 0.00 0.56 0.00 0.00 36.38 34.76 3d91 s VAL 257 CO 0.01 -0.16 1.44 -0.54 -0.31 0.00 0.00 175.10 175.53 3d91 s LYS 258 N -2.61 4.23 0.26 4.82 1.02 -1.26 0.26 119.74 126.46 3d91 s LYS 258 Ca 0.17 2.39 -0.03 0.00 0.02 0.00 0.00 55.97 58.52 3d91 s LYS 258 Cb -0.08 -3.05 0.34 0.00 -0.52 0.00 0.00 37.83 34.53 3d91 s LYS 258 CO 0.08 -0.42 1.84 0.00 -0.92 0.00 0.00 175.35 175.93 3d91 h ASN 260 N 0.96 0.08 1.16 0.00 -1.07 -1.65 -2.41 115.58 112.66 3d91 h ASN 260 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.60 3d91 h ASN 260 Cb 0.19 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.43 3d91 h ASN 260 CO -0.02 0.05 -0.69 1.05 0.07 0.00 0.00 177.43 177.89 3d91 h GLU 261 N 0.09 0.00 -0.83 4.14 4.11 -1.68 -3.39 114.58 117.01 3d91 h GLU 261 Ca 0.20 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.73 3d91 h GLU 261 Cb 0.69 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.83 3d91 h GLU 261 CO -0.02 0.00 -0.41 0.41 0.07 0.00 0.00 179.01 179.06 3d91 n GLY 262 N 1.21 -1.95 0.06 1.06 0.00 -0.91 -0.66 105.19 104.00 3d91 n GLY 262 Ca 0.02 0.96 0.10 0.00 0.00 0.00 0.00 46.02 47.10 3d91 n GLY 262 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d91 n PRO 263 N -5.13 0.09 0.03 1.61 -0.02 -1.26 -2.93 135.00 127.40 3d91 n PRO 263 Ca 0.05 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 3d91 n PRO 263 Cb 0.27 -1.67 -0.08 0.00 -0.02 0.00 0.00 33.50 32.00 3d91 n PRO 263 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3d91 n THR 264 N -1.84 0.80 -1.38 3.45 -2.24 0.17 -4.92 114.28 108.32 3d91 n THR 264 Ca 0.03 -0.63 -0.47 0.00 -2.27 0.00 0.00 64.05 60.71 3d91 n THR 264 Cb 0.21 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 3d91 n THR 264 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3d91 n LEU 265 N -2.69 -1.37 -4.78 3.22 4.77 -1.03 -4.95 117.00 110.17 3d91 n LEU 265 Ca -0.08 1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 56.71 3d91 n LEU 265 Cb 0.73 -0.94 0.15 0.00 -2.33 0.00 0.00 43.42 41.03 3d91 n LEU 265 CO 0.43 -3.07 0.72 -2.16 -1.33 0.00 0.00 177.39 171.98 3d91 s PRO 266 N -0.99 0.87 0.29 3.23 0.04 -1.26 -4.47 135.00 132.71 3d91 s PRO 266 Ca 0.63 0.20 -0.29 0.00 0.04 0.00 0.00 61.00 61.58 3d91 s PRO 266 Cb -0.90 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 31.73 3d91 s PRO 266 CO 0.56 -2.36 1.12 -0.51 0.04 0.00 0.00 177.00 175.85 3d91 s ASP 267 N -4.08 7.19 -0.15 6.66 1.01 -1.26 -4.50 116.67 121.54 3d91 s ASP 267 Ca 0.65 2.31 -0.04 0.00 0.71 0.00 0.00 52.55 56.18 3d91 s ASP 267 Cb -0.13 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 3d91 s ASP 267 CO 0.54 -0.20 -0.01 -0.63 0.21 0.00 0.00 175.17 175.08 3d91 s ILE 268 N -1.18 4.18 0.10 0.77 1.01 -0.31 0.60 121.20 126.36 3d91 s ILE 268 Ca 0.45 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.91 3d91 s ILE 268 Cb -0.32 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 3d91 s ILE 268 CO 0.42 0.51 -0.16 -0.44 0.00 0.00 0.00 174.94 175.26 3d91 s SER 269 N 0.13 2.08 -0.09 3.58 0.01 -0.93 0.27 113.70 118.75 3d91 s SER 269 Ca 0.01 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.57 3d91 s SER 269 Cb -0.13 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.03 3d91 s SER 269 CO 0.02 -0.06 -0.12 -0.36 0.41 0.00 0.00 173.24 173.13 3d91 s PHE 270 N -1.58 1.65 -0.51 2.43 0.08 0.17 -2.13 117.98 118.09 3d91 s PHE 270 Ca 0.05 -0.72 -0.16 0.00 0.12 0.00 0.00 56.93 56.21 3d91 s PHE 270 Cb -0.08 -1.23 0.09 0.00 -0.57 0.00 0.00 43.02 41.23 3d91 s PHE 270 CO 0.03 -0.40 0.49 -1.58 -0.10 0.00 0.00 175.22 173.67 3d91 s HIS 271 N 1.00 3.19 -0.17 0.36 2.46 -0.39 0.19 115.29 121.94 3d91 s HIS 271 Ca -0.08 -0.99 0.01 0.00 0.47 0.00 0.00 55.06 54.48 3d91 s HIS 271 Cb -0.15 -3.51 0.02 0.00 -0.13 0.00 0.00 32.58 28.81 3d91 s HIS 271 CO -0.01 -0.95 -0.20 -0.51 -2.47 0.00 0.00 174.74 170.60 3d91 s LEU 272 N 1.88 2.10 0.00 8.88 1.43 -1.00 -0.33 118.68 131.64 3d91 s LEU 272 Ca 0.06 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3d91 s LEU 272 Cb -0.25 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3d91 s LEU 272 CO 0.06 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.27 3d91 n GLY 273 N 4.48 3.19 1.69 -3.19 0.00 -1.26 -2.92 105.19 107.17 3d91 n GLY 273 Ca -0.21 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 3d91 n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d91 n GLY 274 N 0.00 4.51 3.37 -0.02 0.00 -1.26 -4.99 105.19 106.80 3d91 n GLY 274 Ca 0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 3d91 n GLY 274 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d91 s LYS 275 N -3.21 0.95 -0.18 1.61 2.20 -1.15 -5.15 119.74 114.81 3d91 s LYS 275 Ca 0.51 -0.18 -0.08 0.00 -0.36 0.00 0.00 55.97 55.86 3d91 s LYS 275 Cb 0.44 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 37.15 3d91 s LYS 275 CO 0.07 -0.32 0.07 -1.21 -0.36 0.00 0.00 175.35 173.60 3d91 s GLU 276 N -2.07 3.98 -0.31 4.03 0.41 -1.26 -2.36 118.70 121.11 3d91 s GLU 276 Ca -0.07 -0.32 -0.08 0.00 -0.41 0.00 0.00 54.97 54.08 3d91 s GLU 276 Cb -0.01 -3.24 0.01 0.00 -1.78 0.00 0.00 34.13 29.11 3d91 s GLU 276 CO 0.01 0.30 0.12 0.71 -0.49 0.00 0.00 175.26 175.92 3d91 s TYR 277 N 0.29 3.17 -0.12 1.61 2.02 0.13 -4.91 117.35 119.54 3d91 s TYR 277 Ca 0.04 -0.83 0.01 0.00 -0.37 0.00 0.00 57.07 55.92 3d91 s TYR 277 Cb -0.12 -2.31 -0.01 0.00 -0.40 0.00 0.00 41.96 39.12 3d91 s TYR 277 CO -0.00 -0.54 -0.16 0.99 -1.57 0.00 0.00 175.55 174.27 3d91 s THR 278 N 1.55 2.81 -0.08 -0.71 2.01 -1.26 0.45 115.64 120.40 3d91 s THR 278 Ca 0.03 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.29 3d91 s THR 278 Cb -0.17 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3d91 s THR 278 CO 0.04 0.53 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.66 3d91 s LEU 279 N 0.34 3.03 0.50 4.42 1.43 0.14 -5.00 118.68 123.55 3d91 s LEU 279 Ca -0.13 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 3d91 s LEU 279 Cb -0.16 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.41 3d91 s LEU 279 CO 0.07 0.33 0.32 0.42 0.23 0.00 0.00 176.35 177.71 3d91 s THR 280 N -0.60 1.86 0.33 5.49 -4.23 -1.26 -1.16 115.64 116.06 3d91 s THR 280 Ca 0.09 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 3d91 s THR 280 Cb -0.12 -2.42 0.27 0.00 1.34 0.00 0.00 72.50 71.57 3d91 s THR 280 CO 0.02 0.00 1.98 0.77 -0.54 0.00 0.00 174.62 176.85 3d91 h SER 281 N 0.97 0.81 0.00 3.99 4.64 -1.79 -1.31 113.55 120.87 3d91 h SER 281 Ca -0.39 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3d91 h SER 281 Cb 1.29 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3d91 h SER 281 CO 0.61 0.57 0.12 0.00 -0.87 0.00 0.00 176.83 177.27 3d91 n ALA 282 N -2.43 0.86 -0.06 5.18 0.00 -1.26 -1.43 120.51 121.37 3d91 n ALA 282 Ca 0.09 0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 3d91 n ALA 282 Cb 0.08 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 3d91 n ALA 282 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3d91 n ASP 283 N -2.05 0.66 0.00 0.00 8.00 -0.50 -4.72 116.55 117.95 3d91 n ASP 283 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3d91 n ASP 283 Cb 0.15 1.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.55 3d91 n ASP 283 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d91 n TYR 284 N -2.46 0.00 -4.00 1.24 0.18 -0.91 -4.89 117.16 106.31 3d91 n TYR 284 Ca -0.19 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.24 3d91 n TYR 284 Cb 0.85 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.69 3d91 n TYR 284 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3d91 s VAL 285 N -0.07 4.25 -0.75 -3.48 1.01 -0.51 0.16 120.40 121.01 3d91 s VAL 285 Ca 0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 3d91 s VAL 285 Cb 0.00 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3d91 s VAL 285 CO 0.00 0.41 1.72 -0.36 0.00 0.00 0.00 175.10 176.87 3d91 s PHE 286 N 0.97 1.91 -1.30 5.22 0.08 -0.15 -4.82 117.98 119.90 3d91 s PHE 286 Ca 0.03 0.40 -0.17 0.00 0.12 0.00 0.00 56.93 57.31 3d91 s PHE 286 Cb -0.14 -4.26 0.08 0.00 -0.57 0.00 0.00 43.02 38.13 3d91 s PHE 286 CO 0.02 -2.09 1.73 0.94 -0.10 0.00 0.00 175.22 175.72 3d91 n GLN 287 N 9.12 3.21 -0.02 0.44 -0.06 -1.26 -4.16 117.38 124.65 3d91 n GLN 287 Ca 0.23 -3.31 0.13 0.00 -2.00 0.00 0.00 57.00 52.05 3d91 n GLN 287 Cb 0.50 -3.45 0.59 0.00 -4.06 0.00 0.00 30.24 23.82 3d91 n GLN 287 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 3d91 n GLU 288 N 8.08 1.48 0.00 3.69 1.02 -1.26 -4.91 120.64 128.73 3d91 n GLU 288 Ca 0.48 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 3d91 n GLU 288 Cb 0.45 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3d91 n GLU 288 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3d91 n SER 289 N -0.14 0.00 -0.03 1.62 2.88 -1.26 -5.05 113.62 111.64 3d91 n SER 289 Ca 0.19 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.75 3d91 n SER 289 Cb 0.27 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.76 3d91 n SER 289 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3d91 n TYR 290 N -0.00 0.00 -3.52 0.66 4.01 -1.26 -4.72 117.16 112.33 3d91 n TYR 290 Ca 0.00 -0.58 -0.36 0.00 -0.16 0.00 0.00 57.90 56.80 3d91 n TYR 290 Cb 0.00 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 38.90 3d91 n TYR 290 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3d91 s SER 291 N -1.38 6.73 0.53 7.72 1.04 -1.26 -2.77 113.70 124.32 3d91 s SER 291 Ca 0.08 0.90 0.29 0.00 0.48 0.00 0.00 55.95 57.70 3d91 s SER 291 Cb 0.07 -2.22 1.49 0.00 0.10 0.00 0.00 66.02 65.46 3d91 s SER 291 CO 0.01 0.22 2.07 0.77 0.98 0.00 0.00 173.24 177.29 3d91 h SER 292 N 4.09 0.00 -0.05 7.02 4.64 -1.94 -2.15 113.55 125.16 3d91 h SER 292 Ca -0.50 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.86 3d91 h SER 292 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 3d91 h SER 292 CO 0.64 0.10 -0.30 0.11 -0.87 0.00 0.00 176.83 176.52 3d91 h LYS 293 N 0.00 -0.40 -7.17 4.77 6.56 -2.00 -3.44 116.57 114.89 3d91 h LYS 293 Ca -0.00 0.03 -0.51 0.00 -1.06 0.00 0.00 60.65 59.11 3d91 h LYS 293 Cb 0.36 0.09 0.09 0.00 -0.57 0.00 0.00 32.23 32.20 3d91 h LYS 293 CO 0.01 -0.27 0.39 0.15 -2.06 0.00 0.00 179.45 177.68 3d91 s LYS 294 N -6.02 2.96 -0.09 3.15 -0.14 -0.81 -4.97 119.74 113.81 3d91 s LYS 294 Ca -0.15 1.45 0.01 0.00 -1.36 0.00 0.00 55.97 55.92 3d91 s LYS 294 Cb 0.10 -1.97 -0.02 0.00 -1.68 0.00 0.00 37.83 34.26 3d91 s LYS 294 CO 0.66 -1.14 -0.11 -0.51 -0.76 0.00 0.00 175.35 173.49 3d91 s LEU 295 N -4.56 2.87 -0.20 3.17 1.43 -1.26 -2.20 118.68 117.93 3d91 s LEU 295 Ca 0.69 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3d91 s LEU 295 Cb -0.21 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 3d91 s LEU 295 CO 0.37 0.27 -0.09 0.00 0.23 0.00 0.00 176.35 177.13 3d91 s THR 297 N 1.30 2.50 -0.03 0.00 2.01 -1.26 -1.37 115.64 118.80 3d91 s THR 297 Ca 0.04 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.29 3d91 s THR 297 Cb -0.14 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 3d91 s THR 297 CO -0.05 -0.15 -0.06 -0.76 -0.69 0.00 0.00 174.62 172.91 3d91 s LEU 298 N -5.30 3.20 -0.03 4.42 1.43 -1.07 -0.97 118.68 120.35 3d91 s LEU 298 Ca 0.71 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.74 3d91 s LEU 298 Cb -0.26 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.21 3d91 s LEU 298 CO 0.46 0.32 1.78 0.00 0.23 0.00 0.00 176.35 179.15 3d91 n ALA 299 N 1.85 3.80 -2.89 4.21 0.00 0.12 -4.76 120.51 122.84 3d91 n ALA 299 Ca -0.17 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 3d91 n ALA 299 Cb 0.53 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 3d91 n ALA 299 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3d91 s ILE 300 N -0.25 0.27 0.30 0.00 1.01 -1.26 -2.65 121.20 118.61 3d91 s ILE 300 Ca 0.04 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 3d91 s ILE 300 Cb 0.03 -0.34 0.06 0.00 0.01 0.00 0.00 42.46 42.22 3d91 s ILE 300 CO 0.00 -0.30 0.86 -1.38 0.00 0.00 0.00 174.94 174.13 3d91 s HIS 301 N -1.01 0.06 -0.16 3.97 -3.43 -0.69 -4.59 115.29 109.44 3d91 s HIS 301 Ca -0.09 -0.61 -0.11 0.00 -0.80 0.00 0.00 55.06 53.45 3d91 s HIS 301 Cb -0.07 0.78 -0.05 0.00 -1.43 0.00 0.00 32.58 31.81 3d91 s HIS 301 CO -0.00 -1.31 0.21 0.00 -2.00 0.00 0.00 174.74 171.64 3d91 s ALA 302 N -2.50 3.69 -0.29 -1.38 0.00 -1.26 -2.33 121.76 117.68 3d91 s ALA 302 Ca 0.17 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.59 3d91 s ALA 302 Cb -0.04 -2.23 0.16 0.00 0.00 0.00 0.00 23.12 21.00 3d91 s ALA 302 CO 0.09 0.24 0.40 1.41 0.00 0.00 0.00 175.76 177.90 3d91 s MET 303 N 0.05 0.41 -0.69 0.00 0.00 -0.27 -4.93 119.30 113.87 3d91 s MET 303 Ca 0.14 0.10 -0.26 0.00 0.00 0.00 0.00 55.69 55.67 3d91 s MET 303 Cb -0.12 -0.33 0.04 0.00 0.00 0.00 0.00 34.83 34.42 3d91 s MET 303 CO 0.02 -1.04 1.20 -0.51 0.00 0.00 0.00 175.02 174.69 3d91 s ASP 304 N 2.53 6.23 -0.20 1.11 1.01 -1.26 -4.27 116.67 121.81 3d91 s ASP 304 Ca 0.10 -0.42 -0.22 0.00 0.71 0.00 0.00 52.55 52.72 3d91 s ASP 304 Cb -0.12 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 3d91 s ASP 304 CO -0.30 -1.68 0.69 -0.63 0.21 0.00 0.00 175.17 173.46 3d91 s ILE 305 N 5.24 4.97 0.60 0.77 1.01 -1.26 -5.06 121.20 127.48 3d91 s ILE 305 Ca 0.34 1.32 -0.16 0.00 0.00 0.00 0.00 60.65 62.15 3d91 s ILE 305 Cb -0.09 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 3d91 s ILE 305 CO 0.16 0.07 1.07 -2.16 0.00 0.00 0.00 174.94 174.09 3d91 s PRO 306 N 2.07 3.22 0.69 2.79 0.05 -1.26 -3.56 135.00 139.00 3d91 s PRO 306 Ca 0.31 1.25 -0.17 0.00 0.05 0.00 0.00 61.00 62.45 3d91 s PRO 306 Cb -0.16 -2.02 -0.02 0.00 0.05 0.00 0.00 34.50 32.35 3d91 s PRO 306 CO 0.10 -0.90 0.80 -2.30 0.05 0.00 0.00 177.00 174.75 3d91 n PRO 307 N -2.09 0.51 0.15 0.56 -0.02 -1.21 -1.72 135.00 131.18 3d91 n PRO 307 Ca 0.09 0.22 0.05 0.00 -2.02 0.00 0.00 63.50 61.84 3d91 n PRO 307 Cb 0.53 -2.05 0.05 0.00 -0.02 0.00 0.00 33.50 32.01 3d91 n PRO 307 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3d91 h PRO 308 N -0.13 0.00 -0.02 0.52 0.14 -2.03 -3.44 132.00 127.03 3d91 h PRO 308 Ca -0.47 0.00 -0.00 0.00 0.14 0.00 0.00 66.00 65.67 3d91 h PRO 308 Cb 1.35 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.49 3d91 h PRO 308 CO 0.46 0.31 0.01 1.15 0.14 0.00 0.00 178.00 180.08 3d91 h THR 309 N 0.00 1.11 -3.32 1.56 2.02 -1.92 -3.45 112.91 108.91 3d91 h THR 309 Ca -0.02 -0.32 -0.45 0.00 0.77 0.00 0.00 66.41 66.39 3d91 h THR 309 Cb 1.27 1.29 0.07 0.00 -1.74 0.00 0.00 68.15 69.04 3d91 h THR 309 CO 0.04 0.09 0.14 -0.83 0.37 0.00 0.00 175.52 175.32 3d91 s GLY 310 N -2.48 1.74 0.27 2.16 0.00 -0.70 -4.35 107.32 103.95 3d91 s GLY 310 Ca -0.14 -1.06 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 3d91 s GLY 310 CO 0.67 -0.70 1.39 -4.14 0.00 0.00 0.00 173.10 170.32 3d91 s PRO 311 N -5.08 4.30 0.08 2.90 0.02 -1.24 -3.28 135.00 132.70 3d91 s PRO 311 Ca 0.59 2.26 -0.14 0.00 0.02 0.00 0.00 61.00 63.73 3d91 s PRO 311 Cb -0.11 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.33 3d91 s PRO 311 CO 0.42 -0.35 0.33 -0.08 -0.33 0.00 0.00 177.00 177.00 3d91 s THR 312 N -0.30 0.09 0.54 0.99 -1.32 -1.26 -4.66 115.64 109.71 3d91 s THR 312 Ca 0.56 -0.70 -0.06 0.00 -1.21 0.00 0.00 61.69 60.28 3d91 s THR 312 Cb -0.41 -1.10 -0.02 0.00 -1.51 0.00 0.00 72.50 69.46 3d91 s THR 312 CO 0.46 -0.39 0.86 0.26 -2.21 0.00 0.00 174.62 173.60 3d91 s TRP 313 N -3.25 3.44 -0.10 9.09 0.52 -0.71 -4.20 118.94 123.73 3d91 s TRP 313 Ca -0.00 0.80 0.02 0.00 0.02 0.00 0.00 56.10 56.94 3d91 s TRP 313 Cb 0.01 -2.53 -0.01 0.00 -1.15 0.00 0.00 33.47 29.79 3d91 s TRP 313 CO -0.08 -0.55 -0.18 0.00 0.02 0.00 0.00 176.95 176.16 3d91 s ALA 314 N -2.90 2.44 -0.47 0.98 0.00 -0.71 -0.07 121.76 121.03 3d91 s ALA 314 Ca 0.51 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 3d91 s ALA 314 Cb -0.10 -1.01 0.10 0.00 0.00 0.00 0.00 23.12 22.11 3d91 s ALA 314 CO 0.46 0.31 0.36 -0.51 0.00 0.00 0.00 175.76 176.38 3d91 s LEU 315 N 0.18 5.63 0.00 0.00 1.43 0.36 -1.70 118.68 124.57 3d91 s LEU 315 Ca -0.10 -1.66 0.00 0.00 -1.03 0.00 0.00 54.13 51.33 3d91 s LEU 315 Cb -0.16 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.99 3d91 s LEU 315 CO 0.06 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.58 3d91 n GLY 316 N 5.03 1.67 0.31 -3.19 0.00 -1.12 -1.51 105.19 106.38 3d91 n GLY 316 Ca -0.11 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.11 3d91 n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d91 h ALA 317 N -1.22 1.50 -0.79 4.61 0.00 -1.31 -1.39 119.26 120.65 3d91 h ALA 317 Ca 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.93 3d91 h ALA 317 Cb 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.51 3d91 h ALA 317 CO 0.00 0.40 0.39 1.15 0.00 0.00 0.00 179.25 181.19 3d91 h THR 318 N 0.67 0.76 0.04 0.00 2.02 -1.86 0.50 112.91 115.04 3d91 h THR 318 Ca 0.17 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 3d91 h THR 318 Cb 0.08 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3d91 h THR 318 CO -0.02 0.11 -0.28 0.15 0.37 0.00 0.00 175.52 175.84 3d91 h PHE 319 N 0.59 0.14 -0.15 3.16 3.04 -1.62 -3.34 116.94 118.77 3d91 h PHE 319 Ca 0.42 -0.10 -0.06 0.00 3.98 0.00 0.00 57.97 62.21 3d91 h PHE 319 Cb 0.55 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 3d91 h PHE 319 CO -0.11 1.11 -0.16 0.82 -2.02 0.00 0.00 178.31 177.95 3d91 h ILE 320 N -0.83 1.19 -0.39 1.41 2.04 -0.92 0.11 117.51 120.12 3d91 h ILE 320 Ca -0.06 -0.86 0.08 0.00 1.00 0.00 0.00 64.86 65.03 3d91 h ILE 320 Cb 1.19 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 38.45 3d91 h ILE 320 CO 0.03 0.27 -0.13 0.03 0.00 0.00 0.00 178.15 178.35 3d91 h ARG 321 N 0.22 -0.04 -0.15 2.37 3.08 -0.13 -3.18 114.38 116.55 3d91 h ARG 321 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3d91 h ARG 321 Cb 0.42 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3d91 h ARG 321 CO 0.03 -0.03 0.00 -0.22 -1.07 0.00 0.00 179.97 178.68 3d91 h LYS 322 N -0.04 0.27 -4.71 0.04 1.63 -1.12 -3.42 116.57 109.21 3d91 h LYS 322 Ca 0.19 -0.09 -0.67 0.00 -0.85 0.00 0.00 60.65 59.23 3d91 h LYS 322 Cb 0.33 -0.02 -0.38 0.00 -0.60 0.00 0.00 32.23 31.56 3d91 h LYS 322 CO -0.42 0.50 -0.71 -0.06 -3.45 0.00 0.00 179.45 175.30 3d91 s PHE 323 N -4.98 3.58 -0.32 1.91 0.08 0.17 -1.29 117.98 117.13 3d91 s PHE 323 Ca -0.14 -2.66 -0.42 0.00 0.12 0.00 0.00 56.93 53.83 3d91 s PHE 323 Cb 0.06 -2.65 -0.17 0.00 -0.57 0.00 0.00 43.02 39.68 3d91 s PHE 323 CO 0.72 -0.92 1.67 0.98 -0.10 0.00 0.00 175.22 177.57 3d91 n TYR 324 N 4.37 1.92 -4.82 0.36 4.19 0.16 -4.31 117.16 119.03 3d91 n TYR 324 Ca -0.03 0.73 -0.33 0.00 3.31 0.00 0.00 57.90 61.58 3d91 n TYR 324 Cb 0.42 -2.38 -0.13 0.00 0.49 0.00 0.00 39.34 37.74 3d91 n TYR 324 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 3d91 s THR 325 N 3.20 3.16 -0.14 2.97 2.01 -0.94 -1.64 115.64 124.27 3d91 s THR 325 Ca 1.00 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.34 3d91 s THR 325 Cb -1.19 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 69.05 3d91 s THR 325 CO 0.69 0.58 -0.18 -0.70 -0.69 0.00 0.00 174.62 174.32 3d91 s GLU 326 N -0.48 3.15 -0.37 4.92 2.12 0.13 0.12 118.70 128.30 3d91 s GLU 326 Ca 0.06 -0.79 -0.11 0.00 0.36 0.00 0.00 54.97 54.50 3d91 s GLU 326 Cb -0.12 -2.53 0.03 0.00 0.26 0.00 0.00 34.13 31.77 3d91 s GLU 326 CO 0.02 0.04 0.20 -0.06 -0.54 0.00 0.00 175.26 174.92 3d91 s PHE 327 N 0.73 3.25 -0.42 5.30 0.08 -0.34 -0.61 117.98 125.96 3d91 s PHE 327 Ca -0.08 -1.00 -0.14 0.00 0.12 0.00 0.00 56.93 55.83 3d91 s PHE 327 Cb -0.16 -2.43 0.04 0.00 -0.57 0.00 0.00 43.02 39.90 3d91 s PHE 327 CO 0.01 -0.66 0.30 0.34 -0.10 0.00 0.00 175.22 175.11 3d91 s ASP 328 N 1.54 6.00 0.08 1.36 2.15 -0.53 -2.59 116.67 124.69 3d91 s ASP 328 Ca 0.02 -1.06 -0.10 0.00 0.43 0.00 0.00 52.55 51.83 3d91 s ASP 328 Cb -0.19 -2.12 -0.22 0.00 -0.30 0.00 0.00 42.92 40.09 3d91 s ASP 328 CO 0.06 -0.48 1.19 0.03 -0.17 0.00 0.00 175.17 175.80 3d91 h ARG 329 N 8.60 0.54 -0.96 4.34 2.47 -1.40 -0.87 114.38 127.11 3d91 h ARG 329 Ca -0.27 -0.66 0.08 0.00 -1.26 0.00 0.00 59.98 57.87 3d91 h ARG 329 Cb 1.11 0.21 -0.07 0.00 -1.65 0.00 0.00 29.97 29.57 3d91 h ARG 329 CO 0.75 1.27 0.62 -0.09 0.56 0.00 0.00 179.97 183.08 3d91 h ARG 330 N 0.27 1.04 -0.16 0.04 2.43 -1.93 -3.04 114.38 113.04 3d91 h ARG 330 Ca -0.14 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3d91 h ARG 330 Cb 1.77 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 3d91 h ARG 330 CO 0.20 0.69 0.00 0.09 -1.51 0.00 0.00 179.97 179.44 3d91 n ASN 331 N -4.52 2.29 -3.59 -3.80 4.13 -1.22 -5.03 115.26 103.52 3d91 n ASN 331 Ca 0.15 -1.81 -0.29 0.00 1.68 0.00 0.00 54.58 54.32 3d91 n ASN 331 Cb 0.23 -0.10 0.02 0.00 -1.54 0.00 0.00 39.78 38.38 3d91 n ASN 331 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3d91 n ASN 332 N 0.19 -4.77 -3.83 6.41 3.02 -0.38 -4.88 115.26 111.01 3d91 n ASN 332 Ca 0.06 -0.63 -0.09 0.00 -0.03 0.00 0.00 54.58 53.89 3d91 n ASN 332 Cb 0.31 -1.50 -0.04 0.00 -0.61 0.00 0.00 39.78 37.93 3d91 n ASN 332 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d91 s ARG 333 N -3.82 1.42 -0.03 3.52 1.70 -0.90 -2.02 118.95 118.82 3d91 s ARG 333 Ca 0.15 -0.99 0.05 0.00 -0.47 0.00 0.00 55.73 54.47 3d91 s ARG 333 Cb -0.02 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.86 3d91 s ARG 333 CO 0.84 -0.60 -0.20 0.42 -1.08 0.00 0.00 175.30 174.69 3d91 s ILE 334 N -3.92 1.60 -0.10 4.99 1.01 -0.51 -1.45 121.20 122.83 3d91 s ILE 334 Ca 0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 3d91 s ILE 334 Cb -0.01 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 3d91 s ILE 334 CO 0.01 0.45 0.02 -0.83 0.00 0.00 0.00 174.94 174.60 3d91 s GLY 335 N -0.20 1.89 -0.05 6.18 0.00 0.22 -1.87 107.32 113.50 3d91 s GLY 335 Ca 0.01 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 43.99 3d91 s GLY 335 CO 0.01 -0.48 -0.16 -1.36 0.00 0.00 0.00 173.10 171.11 3d91 s PHE 336 N -0.76 2.63 0.03 1.90 0.08 -0.31 -0.69 117.98 120.86 3d91 s PHE 336 Ca 0.12 -0.22 -0.01 0.00 0.12 0.00 0.00 56.93 56.94 3d91 s PHE 336 Cb -0.12 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 3d91 s PHE 336 CO 0.02 0.14 -0.02 0.00 -0.10 0.00 0.00 175.22 175.27 3d91 s ALA 337 N -0.69 0.22 0.25 5.36 0.00 -0.65 -1.38 121.76 124.86 3d91 s ALA 337 Ca 0.11 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 3d91 s ALA 337 Cb -0.11 0.20 -0.10 0.00 0.00 0.00 0.00 23.12 23.11 3d91 s ALA 337 CO 0.00 -0.24 1.48 -0.51 0.00 0.00 0.00 175.76 176.49 3d91 s LEU 338 N -1.99 4.38 0.25 0.00 1.43 -1.25 0.37 118.68 121.87 3d91 s LEU 338 Ca -0.08 2.71 -0.23 0.00 -1.03 0.00 0.00 54.13 55.51 3d91 s LEU 338 Cb -0.03 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 3d91 s LEU 338 CO -0.04 -0.75 0.82 0.00 0.23 0.00 0.00 176.35 176.61 3d91 s ALA 339 N 0.09 3.34 -0.32 4.21 0.00 -0.41 -1.66 121.76 127.01 3d91 s ALA 339 Ca 0.61 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.77 3d91 s ALA 339 Cb -0.43 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3d91 s ALA 339 CO 0.43 0.27 0.26 1.03 0.00 0.00 0.00 175.76 177.75 3d91 s ARG 340 N -1.87 3.65 0.00 0.00 0.52 -0.50 -4.83 118.95 115.92 3d91 s ARG 340 Ca 0.45 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 55.21 3d91 s ARG 340 Cb -0.18 -3.76 0.03 0.00 0.52 0.00 0.00 34.95 31.55 3d91 s ARG 340 CO 0.23 -0.39 0.63 0.72 0.02 0.00 0.00 175.30 176.51