#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1g h LEU 27 N 0.00 0.52 -0.64 6.55 5.85 -1.89 0.18 115.31 125.89 2p1g h LEU 27 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2p1g h LEU 27 Cb 0.00 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2p1g h LEU 27 CO 0.00 0.38 0.35 0.77 -0.34 0.00 0.00 178.44 179.60 2p1g h SER 28 N 0.62 0.80 -0.44 1.25 4.64 -1.99 0.13 113.55 118.55 2p1g h SER 28 Ca 0.17 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 2p1g h SER 28 Cb -0.06 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 2p1g h SER 28 CO -0.05 0.66 -0.09 0.78 -0.87 0.00 0.00 176.83 177.26 2p1g h ASN 29 N 0.87 0.84 -0.80 4.97 2.35 -1.84 -3.14 115.58 118.83 2p1g h ASN 29 Ca 0.22 -0.36 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 2p1g h ASN 29 Cb 0.04 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.14 2p1g h ASN 29 CO -0.04 1.00 0.51 1.23 -1.65 0.00 0.00 177.43 178.49 2p1g h GLY 30 N 0.66 1.15 2.00 2.83 0.00 -0.52 -2.67 103.07 106.53 2p1g h GLY 30 Ca 0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2p1g h GLY 30 CO 0.04 0.34 -0.16 1.41 0.00 0.00 0.00 176.54 178.17 2p1g h LEU 31 N 1.01 0.00 -0.70 3.11 3.38 -0.72 -1.06 115.31 120.32 2p1g h LEU 31 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2p1g h LEU 31 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2p1g h LEU 31 CO -0.11 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2p1g n GLY 32 N -0.58 -0.91 0.60 0.83 0.00 -1.00 -1.95 105.19 102.17 2p1g n GLY 32 Ca -0.02 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2p1g n GLY 32 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2p1g n PHE 33 N -1.97 0.00 -1.68 1.61 3.72 -0.40 -4.96 117.46 113.78 2p1g n PHE 33 Ca 0.01 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.96 2p1g n PHE 33 Cb 0.10 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 2p1g n PHE 33 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2p1g n VAL 34 N 0.37 0.16 -0.45 -4.37 0.31 -0.82 -1.00 118.33 112.52 2p1g n VAL 34 Ca 0.14 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2p1g n VAL 34 Cb 0.45 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 2p1g n VAL 34 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2p1g n ASP 35 N 3.31 0.00 -4.72 4.52 8.00 0.28 -4.96 116.55 122.99 2p1g n ASP 35 Ca 0.16 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 2p1g n ASP 35 Cb 0.31 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 2p1g n ASP 35 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2p1g s THR 36 N -3.24 2.25 0.49 -3.53 2.01 -0.17 -4.67 115.64 108.78 2p1g s THR 36 Ca 0.00 0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 2p1g s THR 36 Cb 0.00 -3.08 -0.07 0.00 0.01 0.00 0.00 72.50 69.36 2p1g s THR 36 CO 0.00 0.01 1.41 -2.84 -0.69 0.00 0.00 174.62 172.51 2p1g s PRO 37 N 1.40 3.45 0.14 4.92 0.02 -1.26 -0.66 135.00 142.99 2p1g s PRO 37 Ca 0.74 2.37 -0.28 0.00 0.02 0.00 0.00 61.00 63.85 2p1g s PRO 37 Cb -0.48 -2.49 -0.07 0.00 0.02 0.00 0.00 34.50 31.48 2p1g s PRO 37 CO 0.32 -0.99 0.87 -0.47 -0.33 0.00 0.00 177.00 176.40 2p1g s TYR 38 N -1.24 3.86 -0.17 6.54 5.04 -0.38 -2.09 117.35 128.92 2p1g s TYR 38 Ca 0.65 1.71 -0.08 0.00 -2.44 0.00 0.00 57.07 56.91 2p1g s TYR 38 Cb -0.43 -2.92 0.06 0.00 0.35 0.00 0.00 41.96 39.03 2p1g s TYR 38 CO 0.53 0.35 0.40 0.21 -1.34 0.00 0.00 175.55 175.70 2p1g s LYS 39 N -0.53 0.36 0.39 4.97 2.47 0.42 -4.81 119.74 123.02 2p1g s LYS 39 Ca 0.41 0.82 -0.15 0.00 -1.56 0.00 0.00 55.97 55.49 2p1g s LYS 39 Cb -0.23 0.04 -0.09 0.00 -1.46 0.00 0.00 37.83 36.09 2p1g s LYS 39 CO 0.28 -0.18 0.83 0.00 0.16 0.00 0.00 175.35 176.43 2p1g s ALA 40 N 1.66 3.23 -0.03 3.13 0.00 -1.26 -3.75 121.76 124.73 2p1g s ALA 40 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2p1g s ALA 40 Cb -0.09 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2p1g s ALA 40 CO -0.12 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2p1g n GLY 41 N -0.82 0.46 0.29 0.00 0.00 -1.26 -4.92 105.19 98.94 2p1g n GLY 41 Ca 0.04 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.67 2p1g n GLY 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2p1g h THR 42 N 0.00 0.48 -0.06 2.61 1.35 -1.92 -1.90 112.91 113.47 2p1g h THR 42 Ca -0.01 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2p1g h THR 42 Cb 0.03 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2p1g h THR 42 CO 0.01 0.03 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 2p1g n LEU 43 N -3.72 1.87 -0.97 3.87 4.77 -1.26 -4.19 117.00 117.37 2p1g n LEU 43 Ca -0.03 -0.66 0.09 0.00 -0.03 0.00 0.00 56.01 55.37 2p1g n LEU 43 Cb 0.12 -0.03 0.23 0.00 -2.33 0.00 0.00 43.42 41.40 2p1g n LEU 43 CO 0.27 0.33 0.69 -0.62 -1.33 0.00 0.00 177.39 176.73 2p1g n GLU 44 N 0.46 2.69 0.22 3.23 -0.58 -0.71 -4.67 120.64 121.28 2p1g n GLU 44 Ca 0.18 -2.29 0.14 0.00 -0.42 0.00 0.00 57.16 54.76 2p1g n GLU 44 Cb 0.40 -1.41 0.39 0.00 -0.57 0.00 0.00 31.44 30.25 2p1g n GLU 44 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2p1g h VAL 45 N 3.18 0.00 -2.29 2.62 -1.51 -1.73 -3.45 116.25 113.07 2p1g h VAL 45 Ca 0.00 -0.73 -0.53 0.00 -1.23 0.00 0.00 66.70 64.20 2p1g h VAL 45 Cb 0.85 1.71 -0.07 0.00 -2.13 0.00 0.00 31.29 31.66 2p1g h VAL 45 CO 0.00 0.00 -0.58 -1.81 -1.23 0.00 0.00 177.57 173.95 2p1g s ASP 46 N -5.74 5.16 0.20 4.19 1.01 -1.26 -5.04 116.67 115.19 2p1g s ASP 46 Ca 0.05 -0.38 0.06 0.00 0.71 0.00 0.00 52.55 52.99 2p1g s ASP 46 Cb 0.07 -1.20 0.12 0.00 1.01 0.00 0.00 42.92 42.92 2p1g s ASP 46 CO 0.60 -0.01 1.47 0.44 0.21 0.00 0.00 175.17 177.88 2p1g h ASP 47 N 1.78 0.15 -3.23 0.27 3.32 -1.99 -3.44 116.42 113.28 2p1g h ASP 47 Ca -0.47 -0.11 -0.65 0.00 0.02 0.00 0.00 57.03 55.82 2p1g h ASP 47 Cb 1.24 -0.05 -0.17 0.00 0.22 0.00 0.00 39.33 40.57 2p1g h ASP 47 CO 0.61 0.86 -0.79 0.42 -1.72 0.00 0.00 179.24 178.61 2p1g s THR 48 N -3.37 2.65 -0.14 0.35 -4.23 -1.26 -5.10 115.64 104.54 2p1g s THR 48 Ca -0.02 -1.85 -0.27 0.00 -1.18 0.00 0.00 61.69 58.37 2p1g s THR 48 Cb 0.11 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 2p1g s THR 48 CO 0.80 -0.08 0.90 -0.70 -0.54 0.00 0.00 174.62 175.00 2p1g s GLU 49 N -2.63 4.35 0.29 3.99 2.56 -1.26 -5.01 118.70 120.98 2p1g s GLU 49 Ca 0.21 1.17 -0.07 0.00 0.00 0.00 0.00 54.97 56.29 2p1g s GLU 49 Cb -0.09 -3.56 -0.00 0.00 2.00 0.00 0.00 34.13 32.48 2p1g s GLU 49 CO 0.11 -0.32 0.44 0.34 -0.56 0.00 0.00 175.26 175.27 2p1g s ASP 50 N 1.12 0.38 -0.06 -1.70 -1.08 -1.26 -4.60 116.67 109.48 2p1g s ASP 50 Ca 0.42 -1.24 -0.30 0.00 -0.52 0.00 0.00 52.55 50.92 2p1g s ASP 50 Cb -0.17 0.60 -0.05 0.00 -1.46 0.00 0.00 42.92 41.84 2p1g s ASP 50 CO 0.14 -1.19 1.51 -0.22 0.52 0.00 0.00 175.17 175.94 2p1g s LEU 51 N -3.13 4.29 -0.19 -1.34 2.96 -1.26 -5.00 118.68 115.02 2p1g s LEU 51 Ca 0.28 2.11 -0.04 0.00 -0.22 0.00 0.00 54.13 56.26 2p1g s LEU 51 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 2p1g s LEU 51 CO 0.14 -0.84 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.67 2p1g s ILE 52 N 3.42 3.62 -0.36 6.68 1.01 -1.26 -5.08 121.20 129.23 2p1g s ILE 52 Ca 0.67 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.82 2p1g s ILE 52 Cb -0.31 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 39.60 2p1g s ILE 52 CO 0.26 0.45 0.15 -0.63 0.00 0.00 0.00 174.94 175.17 2p1g s ILE 53 N 0.93 3.83 -0.44 2.92 1.01 -1.26 -5.02 121.20 123.16 2p1g s ILE 53 Ca -0.00 -1.28 0.02 0.00 0.00 0.00 0.00 60.65 59.39 2p1g s ILE 53 Cb -0.15 -3.25 0.14 0.00 0.01 0.00 0.00 42.46 39.22 2p1g s ILE 53 CO 0.01 -0.30 0.27 0.21 0.00 0.00 0.00 174.94 175.13 2p1g s ASN 54 N 1.61 3.31 0.00 3.58 3.84 -1.26 -4.95 114.94 121.06 2p1g s ASN 54 Ca 0.00 -2.70 0.29 0.00 0.21 0.00 0.00 52.86 50.67 2p1g s ASN 54 Cb -0.21 -0.87 1.29 0.00 -0.55 0.00 0.00 41.25 40.91 2p1g s ASN 54 CO 0.02 -0.25 1.89 0.00 -2.79 0.00 0.00 177.10 175.97 2p1g h ASP 56 N 1.05 0.00 -3.29 0.00 3.32 -1.95 -3.45 116.42 112.10 2p1g h ASP 56 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 2p1g h ASP 56 Cb 0.33 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.53 2p1g h ASP 56 CO 0.00 0.34 -0.66 -1.61 -1.72 0.00 0.00 179.24 175.59 2p1g s GLU 57 N -3.09 0.02 0.15 3.56 2.02 -1.25 -4.11 118.70 116.00 2p1g s GLU 57 Ca -0.00 0.42 0.03 0.00 0.02 0.00 0.00 54.97 55.44 2p1g s GLU 57 Cb 0.08 -0.29 -0.05 0.00 0.10 0.00 0.00 34.13 33.98 2p1g s GLU 57 CO 0.78 -0.25 -0.05 0.14 0.02 0.00 0.00 175.26 175.90 2p1g s VAL 58 N 1.76 0.88 0.27 2.63 -7.23 -0.89 -4.79 120.40 113.04 2p1g s VAL 58 Ca -0.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2p1g s VAL 58 Cb -0.12 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 34.87 2p1g s VAL 58 CO -0.05 -0.64 0.05 -0.90 -0.31 0.00 0.00 175.10 173.26 2p1g n ASP 59 N -0.20 2.52 0.02 4.85 5.68 -1.25 -0.43 116.55 127.74 2p1g n ASP 59 Ca -0.09 -2.11 0.04 0.00 -0.50 0.00 0.00 54.79 52.13 2p1g n ASP 59 Cb 0.62 0.13 0.43 0.00 -1.14 0.00 0.00 41.12 41.16 2p1g n ASP 59 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2p1g h THR 61 N 0.51 1.25 -0.10 0.00 2.02 -1.93 -3.26 112.91 111.39 2p1g h THR 61 Ca 0.13 -2.36 -0.07 0.00 0.77 0.00 0.00 66.41 64.88 2p1g h THR 61 Cb -0.02 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2p1g h THR 61 CO -0.03 0.60 -0.26 0.71 0.37 0.00 0.00 175.52 176.92 2p1g h THR 62 N -0.62 1.23 0.15 3.16 1.35 -1.93 -1.02 112.91 115.22 2p1g h THR 62 Ca -0.22 -1.08 0.01 0.00 -0.55 0.00 0.00 66.41 64.57 2p1g h THR 62 Cb 1.47 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 69.30 2p1g h THR 62 CO 0.00 0.32 -0.26 0.15 -0.25 0.00 0.00 175.52 175.48 2p1g h PHE 63 N 0.17 -0.71 -0.70 4.73 3.57 -1.48 0.04 116.94 122.57 2p1g h PHE 63 Ca 0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2p1g h PHE 63 Cb 0.55 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 2p1g h PHE 63 CO 0.01 -0.37 0.30 0.28 -2.23 0.00 0.00 178.31 176.29 2p1g h VAL 64 N -0.49 1.23 -0.44 1.41 2.07 -1.45 -1.60 116.25 116.97 2p1g h VAL 64 Ca 0.02 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2p1g h VAL 64 Cb 0.50 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2p1g h VAL 64 CO -0.13 0.29 0.19 -0.33 0.02 0.00 0.00 177.57 177.60 2p1g h GLU 65 N 1.00 0.65 -0.17 1.57 5.08 -0.79 0.54 114.58 122.47 2p1g h GLU 65 Ca 0.24 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2p1g h GLU 65 Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2p1g h GLU 65 CO -0.02 0.59 0.06 1.88 -1.00 0.00 0.00 179.01 180.51 2p1g h TYR 66 N 0.57 0.27 -0.38 4.33 0.05 -0.66 0.75 116.97 121.90 2p1g h TYR 66 Ca 0.15 -0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.97 2p1g h TYR 66 Cb 0.17 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 37.77 2p1g h TYR 66 CO -0.00 0.36 0.01 0.00 -1.05 0.00 0.00 178.16 177.47 2p1g h ALA 67 N 0.88 0.35 -0.28 3.88 0.00 -1.09 -0.84 119.26 122.16 2p1g h ALA 67 Ca 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2p1g h ALA 67 Cb 0.21 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2p1g h ALA 67 CO -0.00 -0.39 0.13 1.25 0.00 0.00 0.00 179.25 180.24 2p1g h LEU 68 N 0.11 0.36 -1.17 0.00 5.85 -0.76 -0.51 115.31 119.18 2p1g h LEU 68 Ca 0.18 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2p1g h LEU 68 Cb 0.25 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2p1g h LEU 68 CO -0.30 0.38 0.18 0.00 -0.34 0.00 0.00 178.44 178.36 2p1g h ALA 69 N 0.99 1.35 -0.05 1.25 0.00 -0.44 -1.60 119.26 120.76 2p1g h ALA 69 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2p1g h ALA 69 Cb 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2p1g h ALA 69 CO -0.01 0.48 -0.00 0.52 0.00 0.00 0.00 179.25 180.24 2p1g h MET 70 N 0.75 0.09 0.00 0.00 2.86 -1.01 -3.29 114.93 114.32 2p1g h MET 70 Ca 0.18 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2p1g h MET 70 Cb 0.19 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2p1g h MET 70 CO -0.01 0.38 -0.07 0.00 1.06 0.00 0.00 176.91 178.26 2p1g h ALA 71 N 0.71 1.79 0.00 6.32 0.00 -0.56 -1.74 119.26 125.78 2p1g h ALA 71 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2p1g h ALA 71 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2p1g h ALA 71 CO 0.00 0.09 0.00 -0.07 0.00 0.00 0.00 179.25 179.28 2p1g h LEU 72 N 0.00 0.00 -9.89 0.00 3.38 -1.37 -3.46 115.31 103.97 2p1g h LEU 72 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2p1g h LEU 72 Cb 0.14 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.97 2p1g h LEU 72 CO 0.01 0.00 0.70 0.00 0.09 0.00 0.00 178.44 179.24 2p1g h PRO 74 N 3.43 0.00 -6.37 0.00 0.13 -1.89 -3.42 132.00 123.89 2p1g h PRO 74 Ca -0.49 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.98 2p1g h PRO 74 Cb 1.23 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 2p1g h PRO 74 CO 0.66 0.28 -0.68 -0.65 -0.23 0.00 0.00 178.00 177.38 2p1g s GLN 75 N -4.40 2.47 -0.13 0.86 1.11 -1.26 -5.07 119.66 113.24 2p1g s GLN 75 Ca -0.03 -0.85 0.16 0.00 0.01 0.00 0.00 55.36 54.65 2p1g s GLN 75 Cb 0.15 -2.49 0.40 0.00 -1.01 0.00 0.00 33.01 30.05 2p1g s GLN 75 CO 0.71 0.55 1.19 1.04 0.01 0.00 0.00 175.29 178.79 2p1g n GLN 76 N 0.80 1.03 0.00 2.91 1.13 -1.26 -3.79 117.38 118.20 2p1g n GLN 76 Ca -0.12 -2.77 0.00 0.00 -1.94 0.00 0.00 57.00 52.16 2p1g n GLN 76 Cb 0.52 -1.08 0.00 0.00 0.11 0.00 0.00 30.24 29.79 2p1g n GLN 76 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2p1g n GLU 79 N -0.62 0.00 -1.63 -1.09 1.02 -1.26 -5.04 120.64 112.02 2p1g n GLU 79 Ca 0.14 0.00 -0.48 0.00 -0.02 0.00 0.00 57.16 56.80 2p1g n GLU 79 Cb 0.82 -3.21 -0.05 0.00 -0.02 0.00 0.00 31.44 28.99 2p1g n GLU 79 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2p1g n MET 80 N -1.12 1.69 -3.45 3.49 1.56 -1.25 -4.96 117.12 113.08 2p1g n MET 80 Ca 0.00 0.61 -0.37 0.00 -0.27 0.00 0.00 57.70 57.66 2p1g n MET 80 Cb 0.00 -2.29 -0.06 0.00 2.15 0.00 0.00 33.22 33.01 2p1g n MET 80 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2p1g s GLN 81 N 0.51 4.19 0.39 2.12 -0.21 -1.26 -4.98 119.66 120.41 2p1g s GLN 81 Ca 0.79 0.30 0.11 0.00 0.02 0.00 0.00 55.36 56.58 2p1g s GLN 81 Cb -0.79 -3.38 0.80 0.00 1.00 0.00 0.00 33.01 30.64 2p1g s GLN 81 CO 0.44 0.32 1.91 1.49 -2.12 0.00 0.00 175.29 177.32 2p1g h GLU 82 N 6.21 0.17 -0.95 2.91 4.22 -1.99 -1.64 114.58 123.51 2p1g h GLU 82 Ca -0.44 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 58.97 2p1g h GLU 82 Cb 1.18 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2p1g h GLU 82 CO 0.72 0.35 0.62 0.78 -2.18 0.00 0.00 179.01 179.30 2p1g h GLY 83 N 0.77 1.34 0.86 1.92 0.00 -1.99 -0.09 103.07 105.89 2p1g h GLY 83 Ca 0.03 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 2p1g h GLY 83 CO 0.03 0.50 -0.12 -0.55 0.00 0.00 0.00 176.54 176.40 2p1g h ASP 84 N 1.29 0.54 -0.08 0.19 3.32 -1.74 -1.44 116.42 118.50 2p1g h ASP 84 Ca 0.35 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2p1g h ASP 84 Cb -0.13 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2p1g h ASP 84 CO -0.07 0.83 0.05 0.15 -1.72 0.00 0.00 179.24 178.48 2p1g h PHE 85 N 0.25 0.10 -0.58 4.55 3.57 -1.26 -0.79 116.94 122.78 2p1g h PHE 85 Ca 0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2p1g h PHE 85 Cb 0.62 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2p1g h PHE 85 CO 0.06 0.06 0.31 0.00 -2.23 0.00 0.00 178.31 176.52 2p1g h ALA 86 N 1.03 0.75 -0.01 2.41 0.00 -0.99 0.07 119.26 122.51 2p1g h ALA 86 Ca 0.03 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2p1g h ALA 86 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2p1g h ALA 86 CO -0.01 0.28 -0.07 -0.09 0.00 0.00 0.00 179.25 179.37 2p1g h ARG 87 N 0.79 -0.11 -0.34 0.00 2.43 -1.08 -1.74 114.38 114.33 2p1g h ARG 87 Ca 0.20 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 2p1g h ARG 87 Cb 0.06 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2p1g h ARG 87 CO -0.03 -0.07 0.17 -0.91 -1.51 0.00 0.00 179.97 177.61 2p1g h ASN 88 N -0.11 0.24 -0.72 -3.80 2.35 -0.79 -1.61 115.58 111.14 2p1g h ASN 88 Ca 0.03 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2p1g h ASN 88 Cb 0.15 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2p1g h ASN 88 CO -0.08 0.18 0.42 0.25 -1.65 0.00 0.00 177.43 176.56 2p1g h LEU 89 N 0.34 0.87 -0.79 1.61 5.85 -0.90 -0.76 115.31 121.54 2p1g h LEU 89 Ca 0.14 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2p1g h LEU 89 Cb 0.06 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 2p1g h LEU 89 CO -0.10 0.69 0.42 -0.61 -0.34 0.00 0.00 178.44 178.50 2p1g h GLN 90 N 0.98 1.12 -0.22 1.25 4.15 -0.97 -0.08 115.11 121.34 2p1g h GLN 90 Ca 0.26 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 2p1g h GLN 90 Cb -0.01 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 2p1g h GLN 90 CO -0.05 0.84 -0.02 0.00 -1.93 0.00 0.00 178.83 177.67 2p1g h ARG 91 N 1.11 0.33 0.11 1.69 3.08 -0.46 -2.46 114.38 117.78 2p1g h ARG 91 Ca 0.28 -0.06 -0.31 0.00 0.07 0.00 0.00 59.98 59.96 2p1g h ARG 91 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2p1g h ARG 91 CO -0.04 0.37 -1.58 0.82 -1.07 0.00 0.00 179.97 178.47 2p1g h ILE 92 N 0.32 1.09 0.00 2.04 2.04 -0.71 -3.37 117.51 118.92 2p1g h ILE 92 Ca 0.07 -2.76 -0.23 0.00 1.00 0.00 0.00 64.86 62.94 2p1g h ILE 92 Cb 0.25 2.71 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 2p1g h ILE 92 CO 0.01 0.80 -1.25 -0.09 0.00 0.00 0.00 178.15 177.62 2p1g h ARG 93 N 0.06 0.00 -6.42 2.37 2.43 -0.97 -3.47 114.38 108.38 2p1g h ARG 93 Ca -0.26 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.23 2p1g h ARG 93 Cb 2.01 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 31.36 2p1g h ARG 93 CO 0.15 0.75 -0.76 0.71 -1.51 0.00 0.00 179.97 179.30 2p1g s TYR 94 N -2.70 2.71 -0.21 2.20 2.02 -0.93 -1.15 117.35 119.29 2p1g s TYR 94 Ca -0.01 -0.16 -0.34 0.00 -0.37 0.00 0.00 57.07 56.19 2p1g s TYR 94 Cb 0.09 -1.55 -0.11 0.00 -0.40 0.00 0.00 41.96 39.99 2p1g s TYR 94 CO 0.82 0.28 2.02 -2.13 -1.57 0.00 0.00 175.55 174.97 2p1g n ARG 95 N 1.71 1.72 -2.09 -0.62 0.63 -0.09 -1.04 116.66 116.88 2p1g n ARG 95 Ca -0.16 0.57 -0.19 0.00 -0.92 0.00 0.00 57.85 57.15 2p1g n ARG 95 Cb 0.52 -2.64 -0.04 0.00 0.45 0.00 0.00 32.46 30.75 2p1g n ARG 95 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2p1g n ASP 96 N 8.37 -5.31 -0.42 6.15 8.00 -1.26 -2.31 116.55 129.78 2p1g n ASP 96 Ca 0.30 0.19 -0.05 0.00 0.71 0.00 0.00 54.79 55.94 2p1g n ASP 96 Cb 0.29 -4.54 -0.02 0.00 -0.02 0.00 0.00 41.12 36.82 2p1g n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p1g n GLY 97 N -0.74 0.69 3.52 0.44 0.00 -0.20 -4.99 105.19 103.91 2p1g n GLY 97 Ca -0.21 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 2p1g n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2p1g s LYS 98 N -2.01 3.79 -0.31 1.61 2.20 -0.98 -4.70 119.74 119.33 2p1g s LYS 98 Ca 0.00 -0.42 -0.22 0.00 -0.36 0.00 0.00 55.97 54.97 2p1g s LYS 98 Cb 0.00 -3.37 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2p1g s LYS 98 CO 0.00 -0.09 0.72 0.42 -0.36 0.00 0.00 175.35 176.04 2p1g s ILE 99 N 1.39 4.85 -0.45 5.43 1.01 -1.26 -4.44 121.20 127.73 2p1g s ILE 99 Ca 0.06 1.00 0.07 0.00 0.00 0.00 0.00 60.65 61.78 2p1g s ILE 99 Cb -0.15 -4.09 0.27 0.00 0.01 0.00 0.00 42.46 38.50 2p1g s ILE 99 CO 0.05 -0.23 0.82 -0.67 0.00 0.00 0.00 174.94 174.91 2p1g n ASP 100 N 6.09 -1.65 0.00 3.58 2.03 -1.26 -5.09 116.55 120.25 2p1g n ASP 100 Ca 0.02 -3.20 0.00 0.00 0.52 0.00 0.00 54.79 52.13 2p1g n ASP 100 Cb 0.48 0.98 0.00 0.00 -0.72 0.00 0.00 41.12 41.87 2p1g n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2p1g n GLY 101 N 1.21 -1.40 0.37 0.27 0.00 -1.26 -3.79 105.19 100.59 2p1g n GLY 101 Ca 0.13 -1.56 0.05 0.00 0.00 0.00 0.00 46.02 44.64 2p1g n GLY 101 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2p1g h TYR 102 N 0.00 1.02 0.00 1.61 3.20 -1.96 -2.25 116.97 118.59 2p1g h TYR 102 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2p1g h TYR 102 Cb 0.00 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.94 2p1g h TYR 102 CO 0.00 0.50 0.00 0.25 -1.64 0.00 0.00 178.16 177.27 2p1g n THR 103 N -4.51 0.18 0.50 1.81 -2.24 -1.26 -2.31 114.28 106.44 2p1g n THR 103 Ca 0.15 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 2p1g n THR 103 Cb 0.25 -0.60 0.41 0.00 -2.10 0.00 0.00 70.33 68.29 2p1g n THR 103 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2p1g h SER 104 N 0.00 0.00 -3.87 3.42 4.64 -1.49 -3.45 113.55 112.80 2p1g h SER 104 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 2p1g h SER 104 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2p1g h SER 104 CO 0.00 0.00 0.36 -0.60 -0.87 0.00 0.00 176.83 175.72 2p1g s ARG 105 N -3.19 4.58 -0.80 4.77 3.52 -0.98 -0.91 118.95 125.94 2p1g s ARG 105 Ca 0.08 1.41 -0.21 0.00 -0.13 0.00 0.00 55.73 56.88 2p1g s ARG 105 Cb 0.10 -2.87 0.09 0.00 -1.56 0.00 0.00 34.95 30.72 2p1g s ARG 105 CO 0.56 0.26 1.08 -0.51 -0.81 0.00 0.00 175.30 175.88 2p1g s LEU 106 N -1.94 4.57 -0.04 -0.88 1.43 -0.30 -4.84 118.68 116.67 2p1g s LEU 106 Ca 0.49 -1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 51.99 2p1g s LEU 106 Cb -0.21 -2.42 -0.31 0.00 0.03 0.00 0.00 46.19 43.27 2p1g s LEU 106 CO 0.27 -1.30 0.76 0.45 0.23 0.00 0.00 176.35 176.76 2p1g h HIS 107 N 9.30 0.69 -3.40 0.29 3.86 -1.92 -3.44 115.15 120.52 2p1g h HIS 107 Ca -0.07 -0.50 -0.55 0.00 -1.16 0.00 0.00 60.37 58.10 2p1g h HIS 107 Cb 1.05 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.46 2p1g h HIS 107 CO 1.08 1.56 0.28 0.71 0.86 0.00 0.00 177.93 182.41 2p1g s TYR 108 N -2.53 3.64 0.43 2.45 2.02 -1.26 -4.95 117.35 117.14 2p1g s TYR 108 Ca -0.15 1.56 0.09 0.00 -0.37 0.00 0.00 57.07 58.20 2p1g s TYR 108 Cb 0.04 -3.02 0.93 0.00 -0.40 0.00 0.00 41.96 39.52 2p1g s TYR 108 CO 0.85 0.03 2.05 0.82 -1.57 0.00 0.00 175.55 177.73 2p1g h ILE 109 N 4.77 1.05 -0.99 2.71 2.04 -1.89 -1.04 117.51 124.15 2p1g h ILE 109 Ca -0.41 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.32 2p1g h ILE 109 Cb 1.21 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 2p1g h ILE 109 CO 0.75 0.09 0.65 0.28 0.00 0.00 0.00 178.15 179.92 2p1g h SER 110 N 0.47 1.10 -0.17 1.72 0.02 -1.95 0.27 113.55 115.01 2p1g h SER 110 Ca 0.17 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 2p1g h SER 110 Cb 0.09 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 2p1g h SER 110 CO -0.04 0.76 -0.27 -0.78 -1.14 0.00 0.00 176.83 175.36 2p1g h ASP 111 N 1.28 0.54 -0.34 3.07 3.58 -1.64 -1.26 116.42 121.64 2p1g h ASP 111 Ca 0.39 -0.53 0.06 0.00 0.42 0.00 0.00 57.03 57.37 2p1g h ASP 111 Cb -0.04 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 40.80 2p1g h ASP 111 CO -0.11 0.96 0.02 -0.25 -2.88 0.00 0.00 179.24 176.98 2p1g h TRP 112 N 0.13 0.02 -0.26 0.28 7.01 -0.81 0.05 115.95 122.36 2p1g h TRP 112 Ca 0.01 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2p1g h TRP 112 Cb 0.85 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 2p1g h TRP 112 CO 0.09 -0.04 0.15 0.82 -2.79 0.00 0.00 178.44 176.68 2p1g h ILE 113 N 0.12 1.11 -0.91 2.65 2.04 -0.43 -2.29 117.51 119.80 2p1g h ILE 113 Ca 0.17 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.83 2p1g h ILE 113 Cb 0.22 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 2p1g h ILE 113 CO -0.26 0.10 0.57 -1.13 0.00 0.00 0.00 178.15 177.43 2p1g h ASN 114 N 0.32 0.90 -0.49 1.72 -1.24 -0.79 0.55 115.58 116.56 2p1g h ASN 114 Ca 0.09 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 2p1g h ASN 114 Cb 0.03 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 2p1g h ASN 114 CO -0.02 0.57 0.30 -1.13 -1.29 0.00 0.00 177.43 175.86 2p1g h ASN 115 N 1.03 0.59 0.19 1.15 -1.24 -0.75 -0.62 115.58 115.93 2p1g h ASN 115 Ca 0.40 -0.05 -0.25 0.00 0.71 0.00 0.00 56.30 57.10 2p1g h ASN 115 Cb 0.19 -0.15 0.01 0.00 0.73 0.00 0.00 38.32 39.10 2p1g h ASN 115 CO -0.18 0.47 -1.03 0.00 -1.29 0.00 0.00 177.43 175.41 2p1g h ALA 116 N 1.14 0.22 -0.28 1.57 0.00 -0.84 -2.73 119.26 118.35 2p1g h ALA 116 Ca 0.18 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2p1g h ALA 116 Cb -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2p1g h ALA 116 CO -0.03 0.76 -0.07 0.28 0.00 0.00 0.00 179.25 180.19 2p1g h VAL 117 N 0.30 1.28 0.00 0.00 2.07 -0.79 -0.99 116.25 118.12 2p1g h VAL 117 Ca -0.11 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 2p1g h VAL 117 Cb 1.68 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2p1g h VAL 117 CO 0.19 0.35 -0.13 0.03 0.02 0.00 0.00 177.57 178.03 2p1g h ARG 118 N 0.30 0.00 -0.01 1.57 2.47 -1.13 -0.73 114.38 116.86 2p1g h ARG 118 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2p1g h ARG 118 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2p1g h ARG 118 CO 0.03 0.13 -0.10 1.04 0.56 0.00 0.00 179.97 181.62 2p1g n GLN 119 N -4.17 0.86 -1.04 0.04 6.02 -1.03 -4.93 117.38 113.13 2p1g n GLN 119 Ca -0.02 -0.33 -0.01 0.00 -0.01 0.00 0.00 57.00 56.62 2p1g n GLN 119 Cb 0.20 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.97 2p1g n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2p1g n GLY 120 N 1.24 0.51 0.10 1.08 0.00 -0.28 -4.91 105.19 102.94 2p1g n GLY 120 Ca 0.16 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 2p1g n GLY 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2p1g h LEU 121 N 0.00 0.34 -8.49 0.99 3.38 -1.40 -3.45 115.31 106.67 2p1g h LEU 121 Ca -0.03 -0.35 -0.54 0.00 0.09 0.00 0.00 57.88 57.06 2p1g h LEU 121 Cb 0.16 -0.11 -0.25 0.00 0.09 0.00 0.00 40.66 40.55 2p1g h LEU 121 CO 0.04 1.26 -0.82 -0.76 0.09 0.00 0.00 178.44 178.25 2p1g s LEU 122 N -7.10 2.18 -0.07 1.67 1.43 -1.13 -4.44 118.68 111.21 2p1g s LEU 122 Ca -0.03 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 2p1g s LEU 122 Cb 0.08 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 2p1g s LEU 122 CO 0.87 0.11 0.11 -1.83 0.23 0.00 0.00 176.35 175.84 2p1g s GLU 123 N -1.24 3.28 -0.78 1.70 -1.05 0.91 -4.20 118.70 117.32 2p1g s GLU 123 Ca 0.05 -0.28 -0.21 0.00 -0.15 0.00 0.00 54.97 54.38 2p1g s GLU 123 Cb -0.09 -3.03 0.09 0.00 -0.44 0.00 0.00 34.13 30.66 2p1g s GLU 123 CO 0.02 0.72 1.05 0.34 0.95 0.00 0.00 175.26 178.34 2p1g s ASP 124 N -1.29 6.36 0.04 0.83 -1.08 -1.26 -1.26 116.67 119.02 2p1g s ASP 124 Ca 0.18 -1.43 -0.20 0.00 -0.52 0.00 0.00 52.55 50.59 2p1g s ASP 124 Cb -0.12 -2.42 -0.14 0.00 -1.46 0.00 0.00 42.92 38.78 2p1g s ASP 124 CO 0.08 -1.29 1.35 0.58 0.52 0.00 0.00 175.17 176.41 2p1g h VAL 125 N 5.96 1.34 -0.40 1.11 2.07 -1.31 -2.70 116.25 122.32 2p1g h VAL 125 Ca -0.09 -1.32 0.08 0.00 0.82 0.00 0.00 66.70 66.19 2p1g h VAL 125 Cb 1.05 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 2p1g h VAL 125 CO 1.17 0.39 0.28 0.71 0.02 0.00 0.00 177.57 180.13 2p1g h THR 126 N 0.02 0.90 -0.17 2.57 1.35 -1.81 -0.05 112.91 115.71 2p1g h THR 126 Ca 0.02 -0.07 -0.04 0.00 -0.55 0.00 0.00 66.41 65.78 2p1g h THR 126 Cb 0.69 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 2p1g h THR 126 CO 0.04 0.04 -0.06 0.00 -0.25 0.00 0.00 175.52 175.28 2p1g h ALA 127 N 1.79 1.58 0.00 6.62 0.00 -1.76 -0.22 119.26 127.27 2p1g h ALA 127 Ca 0.18 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2p1g h ALA 127 Cb 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2p1g h ALA 127 CO -0.03 0.31 -0.81 0.00 0.00 0.00 0.00 179.25 178.72 2p1g h ALA 128 N 1.69 0.49 0.00 0.00 0.00 -0.85 -3.41 119.26 117.17 2p1g h ALA 128 Ca 0.06 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 54.08 2p1g h ALA 128 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2p1g h ALA 128 CO 0.01 1.00 -1.57 0.66 0.00 0.00 0.00 179.25 179.36 2p1g n TYR 129 N -3.29 0.00 -3.67 0.00 4.01 -0.83 -5.03 117.16 108.35 2p1g n TYR 129 Ca 0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 2p1g n TYR 129 Cb 0.86 -0.39 -0.07 0.00 -0.31 0.00 0.00 39.34 39.44 2p1g n TYR 129 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2p1g s SER 130 N -4.75 6.47 0.00 7.72 0.15 -0.11 -4.96 113.70 118.22 2p1g s SER 130 Ca -0.11 0.56 0.29 0.00 0.70 0.00 0.00 55.95 57.38 2p1g s SER 130 Cb 0.03 -2.15 1.19 0.00 -1.71 0.00 0.00 66.02 63.38 2p1g s SER 130 CO 0.25 0.27 1.84 -0.81 1.20 0.00 0.00 173.24 175.99 2p1g n PRO 131 N 2.64 0.63 -3.25 5.44 -0.04 -1.26 -4.77 135.00 134.39 2p1g n PRO 131 Ca -0.16 -0.22 -0.33 0.00 -0.04 0.00 0.00 63.50 62.75 2p1g n PRO 131 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2p1g n PRO 131 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2p1g s PHE 132 N -2.52 3.47 0.03 0.54 0.08 -1.26 -5.01 117.98 113.31 2p1g s PHE 132 Ca 0.27 1.11 -0.01 0.00 0.12 0.00 0.00 56.93 58.42 2p1g s PHE 132 Cb 0.20 -2.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2p1g s PHE 132 CO 0.49 0.24 -0.00 0.15 -0.10 0.00 0.00 175.22 176.00 2p1g s LYS 133 N -2.59 0.41 0.06 0.44 1.02 -1.26 -1.44 119.74 116.39 2p1g s LYS 133 Ca 0.47 -0.73 0.08 0.00 0.02 0.00 0.00 55.97 55.82 2p1g s LYS 133 Cb -0.12 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.31 2p1g s LYS 133 CO 0.19 -0.08 -0.22 -0.65 -0.92 0.00 0.00 175.35 173.68 2p1g s GLN 134 N -2.06 1.42 -0.10 1.68 -1.52 -0.35 -4.89 119.66 113.84 2p1g s GLN 134 Ca -0.10 -1.02 -0.16 0.00 -1.95 0.00 0.00 55.36 52.14 2p1g s GLN 134 Cb -0.05 -1.58 -0.05 0.00 -0.22 0.00 0.00 33.01 31.11 2p1g s GLN 134 CO -0.03 0.40 0.39 0.21 -0.25 0.00 0.00 175.29 176.01 2p1g s LYS 135 N -1.32 4.19 0.33 2.91 2.20 -1.26 -1.25 119.74 125.53 2p1g s LYS 135 Ca 0.08 0.31 -0.27 0.00 -0.36 0.00 0.00 55.97 55.73 2p1g s LYS 135 Cb -0.09 -3.37 -0.09 0.00 -1.51 0.00 0.00 37.83 32.76 2p1g s LYS 135 CO 0.02 0.33 1.01 -0.51 -0.36 0.00 0.00 175.35 175.85 2p1g s LEU 136 N 0.11 4.37 -0.33 5.43 1.43 0.27 -4.88 118.68 125.08 2p1g s LEU 136 Ca 0.22 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2p1g s LEU 136 Cb -0.15 -3.93 0.14 0.00 0.03 0.00 0.00 46.19 42.28 2p1g s LEU 136 CO 0.09 -0.19 0.29 -0.55 0.23 0.00 0.00 176.35 176.21 2p1g s SER 137 N -1.37 1.96 -0.15 2.29 0.15 -1.26 -0.49 113.70 114.82 2p1g s SER 137 Ca 0.50 -1.32 -0.05 0.00 0.70 0.00 0.00 55.95 55.78 2p1g s SER 137 Cb -0.24 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.31 2p1g s SER 137 CO 0.30 -0.34 0.01 -0.76 1.20 0.00 0.00 173.24 173.65 2p1g s LEU 138 N 1.82 3.55 0.00 3.45 1.43 -1.26 -3.49 118.68 124.18 2p1g s LEU 138 Ca 0.13 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2p1g s LEU 138 Cb -0.16 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.20 2p1g s LEU 138 CO -0.18 0.22 0.00 -1.54 0.23 0.00 0.00 176.35 175.08 2p1g n SER 139 N 3.21 0.00 -0.06 2.29 3.41 -0.48 -4.69 113.62 117.31 2p1g n SER 139 Ca -0.17 -0.44 -0.10 0.00 -0.26 0.00 0.00 58.87 57.90 2p1g n SER 139 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 2p1g n SER 139 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2p1g h TYR 140 N 0.00 0.30 -0.41 7.33 3.20 -1.66 -1.54 116.97 124.20 2p1g h TYR 140 Ca 0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 2p1g h TYR 140 Cb 0.22 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 2p1g h TYR 140 CO 0.00 0.24 0.02 0.52 -1.64 0.00 0.00 178.16 177.30 2p1g h MET 141 N 0.27 0.70 0.00 1.82 2.86 -1.90 -1.20 114.93 117.49 2p1g h MET 141 Ca 0.08 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2p1g h MET 141 Cb 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2p1g h MET 141 CO -0.01 0.77 0.00 0.66 1.06 0.00 0.00 176.91 179.39 2p1g h SER 142 N 0.54 0.00 0.97 1.22 4.64 -1.88 -2.65 113.55 116.39 2p1g h SER 142 Ca 0.12 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.25 2p1g h SER 142 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 2p1g h SER 142 CO 0.02 0.00 -1.09 0.74 -0.87 0.00 0.00 176.83 175.63 2p1g h THR 143 N 0.00 1.02 -1.82 2.95 2.02 -0.92 -3.37 112.91 112.79 2p1g h THR 143 Ca 0.00 -2.61 -0.53 0.00 0.77 0.00 0.00 66.41 64.05 2p1g h THR 143 Cb 0.69 2.45 -0.41 0.00 -1.74 0.00 0.00 68.15 69.14 2p1g h THR 143 CO 0.00 0.58 -0.88 1.41 0.37 0.00 0.00 175.52 177.00 2p1g n HIS 144 N -3.15 2.56 0.29 3.16 -0.00 -0.48 -4.90 115.22 112.69 2p1g n HIS 144 Ca -0.05 -3.54 0.17 0.00 -0.00 0.00 0.00 57.72 54.31 2p1g n HIS 144 Cb 0.88 -0.35 0.81 0.00 -0.00 0.00 0.00 29.99 31.32 2p1g n HIS 144 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2p1g h PRO 145 N 2.88 0.00 -0.03 -0.41 0.13 -1.65 -2.04 132.00 130.88 2p1g h PRO 145 Ca 0.13 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.27 2p1g h PRO 145 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2p1g h PRO 145 CO 0.70 0.04 0.09 0.93 -0.23 0.00 0.00 178.00 179.53 2p1g h GLU 146 N 0.00 0.00 0.00 0.86 3.07 -1.88 -2.23 114.58 114.40 2p1g h GLU 146 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2p1g h GLU 146 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2p1g h GLU 146 CO 0.01 0.00 0.00 1.25 -1.40 0.00 0.00 179.01 178.87 2p1g h LEU 147 N 0.00 0.00 -8.58 1.33 5.85 -1.75 -3.45 115.31 108.71 2p1g h LEU 147 Ca 0.01 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.08 2p1g h LEU 147 Cb 0.19 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 40.95 2p1g h LEU 147 CO -0.00 0.00 -0.76 -0.31 -0.34 0.00 0.00 178.44 177.03 2p1g s TYR 148 N -3.28 2.84 0.26 1.25 2.02 -0.87 -5.00 117.35 114.57 2p1g s TYR 148 Ca 0.06 -0.70 -0.02 0.00 -0.37 0.00 0.00 57.07 56.05 2p1g s TYR 148 Cb 0.07 -1.89 0.53 0.00 -0.40 0.00 0.00 41.96 40.27 2p1g s TYR 148 CO 0.63 -0.27 1.74 -0.22 -1.57 0.00 0.00 175.55 175.86 2p1g h LYS 149 N 6.94 0.50 -0.11 -0.62 3.64 -1.88 0.56 116.57 125.60 2p1g h LYS 149 Ca -0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2p1g h LYS 149 Cb 1.20 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2p1g h LYS 149 CO 0.57 0.33 0.00 0.43 -2.27 0.00 0.00 179.45 178.51 2p1g n SER 150 N -4.95 1.77 -0.06 4.20 7.64 -1.26 -3.94 113.62 117.02 2p1g n SER 150 Ca 0.16 -1.66 -0.06 0.00 1.01 0.00 0.00 58.87 58.32 2p1g n SER 150 Cb 0.46 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 2p1g n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2p1g n LEU 151 N 0.38 0.97 0.32 -3.43 4.77 -0.63 -4.53 117.00 114.85 2p1g n LEU 151 Ca 0.17 -0.02 0.20 0.00 -0.03 0.00 0.00 56.01 56.33 2p1g n LEU 151 Cb 0.37 0.02 1.04 0.00 -2.33 0.00 0.00 43.42 42.52 2p1g n LEU 151 CO 0.15 0.41 1.12 0.07 -1.33 0.00 0.00 177.39 177.80 2p1g h LYS 152 N 0.00 0.00 0.00 3.23 2.10 -0.60 -1.69 116.57 119.61 2p1g h LYS 152 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2p1g h LYS 152 Cb 1.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.91 2p1g h LYS 152 CO -0.00 0.01 -0.11 0.09 -2.00 0.00 0.00 179.45 177.44 2p1g n ASN 153 N -3.20 1.75 -3.63 7.07 5.03 -1.26 -4.87 115.26 116.15 2p1g n ASN 153 Ca -0.02 -2.71 -0.29 0.00 0.87 0.00 0.00 54.58 52.43 2p1g n ASN 153 Cb 0.14 -0.34 -0.12 0.00 -1.02 0.00 0.00 39.78 38.44 2p1g n ASN 153 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2p1g s SER 154 N -2.25 3.25 0.47 6.41 0.15 -0.64 -4.96 113.70 116.13 2p1g s SER 154 Ca 0.22 -2.79 0.15 0.00 0.70 0.00 0.00 55.95 54.22 2p1g s SER 154 Cb 0.19 -0.89 1.12 0.00 -1.71 0.00 0.00 66.02 64.73 2p1g s SER 154 CO 0.02 -0.23 2.05 1.55 1.20 0.00 0.00 173.24 177.83 2p1g h PRO 155 N 6.40 0.25 -0.54 5.44 0.13 -1.93 -1.46 132.00 140.29 2p1g h PRO 155 Ca 0.08 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.12 2p1g h PRO 155 Cb 0.91 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 2p1g h PRO 155 CO 0.45 0.16 0.06 0.93 -0.23 0.00 0.00 178.00 179.38 2p1g h GLU 156 N 0.25 0.92 -0.58 0.86 3.07 -1.95 -0.96 114.58 116.19 2p1g h GLU 156 Ca 0.16 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.65 2p1g h GLU 156 Cb 0.31 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 2p1g h GLU 156 CO -0.03 0.90 -0.05 -0.91 -1.40 0.00 0.00 179.01 177.52 2p1g h ASN 157 N 0.80 1.05 -0.56 1.42 2.35 -1.67 -1.42 115.58 117.56 2p1g h ASN 157 Ca 0.16 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2p1g h ASN 157 Cb 0.45 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2p1g h ASN 157 CO 0.02 1.12 0.33 0.58 -1.65 0.00 0.00 177.43 177.83 2p1g h VAL 158 N 0.96 1.17 -0.70 2.81 2.07 -1.17 -0.21 116.25 121.18 2p1g h VAL 158 Ca 0.16 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2p1g h VAL 158 Cb 0.62 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2p1g h VAL 158 CO 0.04 0.18 0.43 0.00 0.02 0.00 0.00 177.57 178.23 2p1g h ALA 159 N 1.16 0.90 -0.44 1.67 0.00 -0.93 0.34 119.26 121.96 2p1g h ALA 159 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2p1g h ALA 159 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2p1g h ALA 159 CO -0.04 0.36 0.13 0.37 0.00 0.00 0.00 179.25 180.07 2p1g h GLN 160 N 0.96 0.69 -0.58 0.00 5.75 -0.94 -1.72 115.11 119.28 2p1g h GLN 160 Ca 0.25 -0.15 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 2p1g h GLN 160 Cb -0.04 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2p1g h GLN 160 CO -0.05 0.68 0.09 0.52 -2.65 0.00 0.00 178.83 177.42 2p1g h MET 161 N 0.57 0.92 -0.57 1.69 2.86 -0.54 -1.65 114.93 118.21 2p1g h MET 161 Ca 0.14 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2p1g h MET 161 Cb 0.28 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2p1g h MET 161 CO -0.00 0.85 0.33 0.00 1.06 0.00 0.00 176.91 179.15 2p1g h ALA 162 N 1.23 1.50 -0.60 6.32 0.00 -0.68 0.12 119.26 127.15 2p1g h ALA 162 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2p1g h ALA 162 Cb 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2p1g h ALA 162 CO 0.01 0.42 0.09 0.87 0.00 0.00 0.00 179.25 180.65 2p1g h LYS 163 N 0.79 0.99 -0.33 0.00 1.57 -0.46 -0.97 116.57 118.17 2p1g h LYS 163 Ca 0.21 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2p1g h LYS 163 Cb -0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2p1g h LYS 163 CO -0.04 0.94 -0.18 1.88 -0.57 0.00 0.00 179.45 181.48 2p1g h TYR 164 N 0.89 0.81 -0.73 -1.35 0.05 -0.69 -1.84 116.97 114.12 2p1g h TYR 164 Ca 0.18 -0.21 0.07 0.00 0.05 0.00 0.00 58.73 58.83 2p1g h TYR 164 Cb 0.43 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 37.92 2p1g h TYR 164 CO 0.03 0.92 0.40 0.93 -1.05 0.00 0.00 178.16 179.39 2p1g h GLU 165 N 0.47 0.70 -0.35 4.88 5.08 -0.73 -2.21 114.58 122.41 2p1g h GLU 165 Ca 0.07 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2p1g h GLU 165 Cb 0.72 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2p1g h GLU 165 CO 0.05 0.46 -0.28 0.87 -1.00 0.00 0.00 179.01 179.12 2p1g h LYS 166 N 0.72 0.74 0.00 2.33 1.57 -0.96 -0.11 116.57 120.86 2p1g h LYS 166 Ca 0.33 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 2p1g h LYS 166 Cb 0.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2p1g h LYS 166 CO -0.21 0.93 -0.46 0.00 -0.57 0.00 0.00 179.45 179.14 2p1g h ALA 167 N 1.05 1.02 0.00 3.86 0.00 -1.05 -3.15 119.26 120.99 2p1g h ALA 167 Ca 0.08 -0.42 -0.29 0.00 0.00 0.00 0.00 54.91 54.28 2p1g h ALA 167 Cb 0.79 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2p1g h ALA 167 CO 0.07 0.58 -1.69 -0.07 0.00 0.00 0.00 179.25 178.13 2p1g h LEU 168 N 0.00 0.00 -9.85 0.00 3.38 -1.23 -3.46 115.31 104.14 2p1g h LEU 168 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 2p1g h LEU 168 Cb 0.95 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.76 2p1g h LEU 168 CO 0.06 1.00 0.65 -0.44 0.09 0.00 0.00 178.44 179.79 2p1g s SER 169 N -6.10 6.78 0.00 -0.43 0.01 -0.07 -2.46 113.70 111.44 2p1g s SER 169 Ca -0.04 2.65 0.00 0.00 1.31 0.00 0.00 55.95 59.87 2p1g s SER 169 Cb 0.08 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2p1g s SER 169 CO 0.82 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2p1g n GLY 170 N 1.07 2.01 3.83 3.44 0.00 0.35 -4.96 105.19 110.94 2p1g n GLY 170 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2p1g n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p1g s LYS 171 N -0.65 4.16 0.03 1.61 -0.14 -1.03 -4.71 119.74 119.00 2p1g s LYS 171 Ca 0.00 1.04 -0.01 0.00 -1.36 0.00 0.00 55.97 55.65 2p1g s LYS 171 Cb 0.00 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 2p1g s LYS 171 CO 0.00 -0.04 0.16 -1.83 -0.76 0.00 0.00 175.35 172.87 2p1g s GLU 172 N -3.29 3.29 0.15 1.68 -1.05 -1.26 -0.57 118.70 117.66 2p1g s GLU 172 Ca 0.61 -0.44 0.07 0.00 -0.15 0.00 0.00 54.97 55.06 2p1g s GLU 172 Cb -0.09 -2.98 -0.04 0.00 -0.44 0.00 0.00 34.13 30.57 2p1g s GLU 172 CO 0.16 0.63 -0.15 0.14 0.95 0.00 0.00 175.26 176.99 2p1g s VAL 173 N -1.37 1.58 0.32 1.83 -7.23 -0.38 -4.97 120.40 110.19 2p1g s VAL 173 Ca 0.29 -1.90 -0.24 0.00 -1.81 0.00 0.00 61.98 58.32 2p1g s VAL 173 Cb -0.13 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 2p1g s VAL 173 CO 0.21 -0.43 0.90 -1.00 -0.31 0.00 0.00 175.10 174.47 2p1g s HIS 174 N -2.33 3.61 0.23 2.82 3.76 -1.26 -1.21 115.29 120.91 2p1g s HIS 174 Ca 0.14 1.67 -0.11 0.00 -0.15 0.00 0.00 55.06 56.61 2p1g s HIS 174 Cb -0.04 -2.85 -0.01 0.00 1.11 0.00 0.00 32.58 30.80 2p1g s HIS 174 CO 0.05 0.17 0.41 1.52 -0.85 0.00 0.00 174.74 176.04 2p1g s TYR 175 N -1.71 0.45 -0.27 1.40 -0.00 -0.52 -4.69 117.35 112.01 2p1g s TYR 175 Ca 0.51 -0.79 -0.07 0.00 -0.00 0.00 0.00 57.07 56.72 2p1g s TYR 175 Cb -0.16 0.08 -0.01 0.00 -0.00 0.00 0.00 41.96 41.86 2p1g s TYR 175 CO 0.21 -0.91 0.08 -1.17 -0.00 0.00 0.00 175.55 173.76 2p1g s LEU 176 N -3.02 3.67 0.36 -3.49 2.96 0.27 -4.16 118.68 115.25 2p1g s LEU 176 Ca 0.23 -0.46 -0.28 0.00 -0.22 0.00 0.00 54.13 53.40 2p1g s LEU 176 Cb 0.01 -1.91 -0.11 0.00 0.50 0.00 0.00 46.19 44.68 2p1g s LEU 176 CO 0.08 -0.12 1.46 -2.65 -1.32 0.00 0.00 176.35 173.79 2p1g n PRO 177 N 4.90 2.55 0.22 0.98 -0.02 -1.26 -1.27 135.00 141.11 2p1g n PRO 177 Ca -0.15 0.90 0.11 0.00 -2.02 0.00 0.00 63.50 62.34 2p1g n PRO 177 Cb 0.50 -2.60 0.70 0.00 -0.02 0.00 0.00 33.50 32.07 2p1g n PRO 177 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2p1g h LYS 178 N 3.09 0.00 0.00 -0.52 2.10 -1.31 1.00 116.57 120.93 2p1g h LYS 178 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2p1g h LYS 178 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2p1g h LYS 178 CO 0.66 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.71 2p1g n ASP 179 N -4.37 0.00 -0.87 7.07 5.75 -1.26 -1.98 116.55 120.89 2p1g n ASP 179 Ca -0.01 0.19 0.12 0.00 -0.01 0.00 0.00 54.79 55.09 2p1g n ASP 179 Cb 0.18 -0.33 0.16 0.00 -1.03 0.00 0.00 41.12 40.09 2p1g n ASP 179 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2p1g n LYS 180 N -1.33 2.18 -4.32 0.11 4.76 0.35 -4.91 118.16 114.99 2p1g n LYS 180 Ca 0.05 -1.74 -0.34 0.00 -2.87 0.00 0.00 58.31 53.41 2p1g n LYS 180 Cb 0.11 -1.46 -0.12 0.00 -1.84 0.00 0.00 35.03 31.71 2p1g n LYS 180 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2p1g s LEU 181 N -2.03 3.25 0.28 -0.35 2.96 -0.84 -5.03 118.68 116.93 2p1g s LEU 181 Ca 0.29 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 2p1g s LEU 181 Cb 0.20 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 2p1g s LEU 181 CO 0.32 0.14 0.35 -1.61 -1.32 0.00 0.00 176.35 174.23 2p1g s GLU 182 N 0.52 3.14 0.53 1.98 0.41 -1.26 -4.81 118.70 119.21 2p1g s GLU 182 Ca -0.03 -0.97 0.26 0.00 -0.41 0.00 0.00 54.97 53.82 2p1g s GLU 182 Cb -0.14 -2.75 1.40 0.00 -1.78 0.00 0.00 34.13 30.86 2p1g s GLU 182 CO 0.03 0.27 1.99 -1.35 -0.49 0.00 0.00 175.26 175.71 2p1g h PRO 183 N 1.16 0.00 -0.70 0.39 0.11 -1.95 -1.04 132.00 129.97 2p1g h PRO 183 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2p1g h PRO 183 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2p1g h PRO 183 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 2p1g n ASP 184 N -4.37 4.25 0.00 -2.05 5.75 -1.26 -0.76 116.55 118.11 2p1g n ASP 184 Ca 0.10 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 2p1g n ASP 184 Cb 0.62 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2p1g n ASP 184 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2p1g n GLY 185 N 0.47 0.98 3.14 6.12 0.00 -0.39 -4.51 105.19 110.99 2p1g n GLY 185 Ca 0.19 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 2p1g n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p1g s LEU 186 N 0.00 1.79 0.57 0.99 1.43 -1.26 -4.35 118.68 117.84 2p1g s LEU 186 Ca 0.00 -0.62 0.26 0.00 -1.03 0.00 0.00 54.13 52.74 2p1g s LEU 186 Cb 0.00 0.67 1.65 0.00 0.03 0.00 0.00 46.19 48.54 2p1g s LEU 186 CO 0.00 -0.58 2.21 -0.65 0.23 0.00 0.00 176.35 177.57 2p1g h PRO 187 N 3.36 0.00 -0.08 1.29 0.11 -2.04 -2.02 132.00 132.62 2p1g h PRO 187 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2p1g h PRO 187 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2p1g h PRO 187 CO 0.54 0.02 0.00 -2.67 -0.21 0.00 0.00 178.00 175.68 2p1g n TRP 188 N -3.99 0.08 -3.93 0.65 4.27 -1.26 -4.72 117.44 108.54 2p1g n TRP 188 Ca -0.03 -0.04 -0.35 0.00 -3.89 0.00 0.00 57.50 53.18 2p1g n TRP 188 Cb 0.10 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 29.93 2p1g n TRP 188 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 2p1g s ILE 189 N -1.92 4.11 0.18 -1.67 1.01 -0.76 -5.05 121.20 117.10 2p1g s ILE 189 Ca 0.35 -0.25 0.11 0.00 0.00 0.00 0.00 60.65 60.85 2p1g s ILE 189 Cb 0.20 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2p1g s ILE 189 CO 0.31 0.39 -0.21 -0.54 0.00 0.00 0.00 174.94 174.90 2p1g s LYS 190 N 1.23 1.64 0.03 2.79 1.02 -1.26 -4.64 119.74 120.56 2p1g s LYS 190 Ca 0.04 -1.42 -0.38 0.00 0.02 0.00 0.00 55.97 54.23 2p1g s LYS 190 Cb -0.15 -1.94 -0.19 0.00 -0.52 0.00 0.00 37.83 35.03 2p1g s LYS 190 CO 0.02 0.42 1.05 0.09 -0.92 0.00 0.00 175.35 176.01 2p1g n ASN 191 N 0.35 0.10 0.00 2.83 3.02 -1.26 -1.72 115.26 118.58 2p1g n ASN 191 Ca -0.13 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 2p1g n ASN 191 Cb 0.55 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 2p1g n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p1g n GLY 192 N 1.67 1.24 3.76 7.41 0.00 -0.24 -4.85 105.19 114.19 2p1g n GLY 192 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2p1g n GLY 192 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p1g s ASP 193 N -2.84 5.59 0.00 1.61 1.01 -0.70 -4.53 116.67 116.80 2p1g s ASP 193 Ca 0.00 2.35 -0.23 0.00 0.71 0.00 0.00 52.55 55.39 2p1g s ASP 193 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2p1g s ASP 193 CO 0.00 -1.32 0.68 -0.63 0.21 0.00 0.00 175.17 174.10 2p1g s ILE 194 N -1.59 4.87 -0.20 0.77 1.01 0.67 -0.49 121.20 126.24 2p1g s ILE 194 Ca 0.72 1.42 -0.01 0.00 0.00 0.00 0.00 60.65 62.78 2p1g s ILE 194 Cb -0.29 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.16 2p1g s ILE 194 CO 0.33 0.37 -0.12 -0.63 0.00 0.00 0.00 174.94 174.89 2p1g s ILE 195 N 0.05 2.73 -0.22 2.92 -1.09 0.48 -0.87 121.20 125.21 2p1g s ILE 195 Ca 0.35 -0.71 -0.08 0.00 -2.23 0.00 0.00 60.65 57.97 2p1g s ILE 195 Cb -0.19 -2.20 -0.04 0.00 -1.58 0.00 0.00 42.46 38.45 2p1g s ILE 195 CO 0.19 0.48 0.10 0.00 -1.23 0.00 0.00 174.94 174.48 2p1g s ALA 196 N 1.37 3.42 -0.33 9.38 0.00 -0.13 -0.95 121.76 134.51 2p1g s ALA 196 Ca 0.05 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 50.93 2p1g s ALA 196 Cb -0.14 -2.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 2p1g s ALA 196 CO -0.08 -0.09 0.66 -0.51 0.00 0.00 0.00 175.76 175.74 2p1g s LEU 197 N 0.87 4.18 0.40 0.00 1.43 0.19 -0.46 118.68 125.29 2p1g s LEU 197 Ca 0.05 0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.32 2p1g s LEU 197 Cb -0.13 -2.84 -0.09 0.00 0.03 0.00 0.00 46.19 43.16 2p1g s LEU 197 CO 0.03 -0.56 0.83 0.42 0.23 0.00 0.00 176.35 177.30 2p1g s THR 198 N 2.72 4.62 0.04 5.49 -4.23 -0.38 -1.25 115.64 122.65 2p1g s THR 198 Ca 0.26 1.03 -0.00 0.00 -1.18 0.00 0.00 61.69 61.80 2p1g s THR 198 Cb -0.14 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 2p1g s THR 198 CO 0.14 -0.38 -0.04 0.28 -0.54 0.00 0.00 174.62 174.08 2p1g s THR 199 N -2.22 0.22 -0.80 3.99 -1.32 -0.89 -1.01 115.64 113.60 2p1g s THR 199 Ca 0.56 -1.36 0.14 0.00 -1.21 0.00 0.00 61.69 59.82 2p1g s THR 199 Cb -0.10 -0.89 0.43 0.00 -1.51 0.00 0.00 72.50 70.43 2p1g s THR 199 CO 0.22 -0.72 1.36 -0.46 -2.21 0.00 0.00 174.62 172.81 2p1g n ASN 200 N 0.87 3.46 -4.77 8.08 0.23 -0.62 -4.62 115.26 117.90 2p1g n ASN 200 Ca -0.19 -2.32 -0.41 0.00 -0.53 0.00 0.00 54.58 51.13 2p1g n ASN 200 Cb 0.58 -0.37 -0.02 0.00 -2.08 0.00 0.00 39.78 37.89 2p1g n ASN 200 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2p1g s THR 201 N -1.59 2.59 0.01 5.53 -1.32 -1.26 -4.85 115.64 114.76 2p1g s THR 201 Ca 0.33 0.57 -0.37 0.00 -1.21 0.00 0.00 61.69 61.01 2p1g s THR 201 Cb 0.21 -3.36 -0.16 0.00 -1.51 0.00 0.00 72.50 67.68 2p1g s THR 201 CO 0.16 0.13 1.47 -2.65 -2.21 0.00 0.00 174.62 171.51 2p1g n PRO 202 N 1.10 1.30 -0.58 7.08 -0.02 -1.26 -2.64 135.00 139.97 2p1g n PRO 202 Ca 0.02 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2p1g n PRO 202 Cb 0.41 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2p1g n PRO 202 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p1g n GLY 203 N 3.03 0.79 3.27 -1.23 0.00 -1.25 -4.74 105.19 105.06 2p1g n GLY 203 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 2p1g n GLY 203 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p1g s LEU 204 N 0.00 2.48 -0.13 0.99 1.43 -1.08 -1.38 118.68 120.99 2p1g s LEU 204 Ca 0.00 -1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 52.03 2p1g s LEU 204 Cb 0.00 -0.35 -0.07 0.00 0.03 0.00 0.00 46.19 45.79 2p1g s LEU 204 CO 0.00 -0.35 -0.14 -0.90 0.23 0.00 0.00 176.35 175.19 2p1g n ASP 205 N -0.24 2.11 -3.77 2.29 5.75 -1.26 -4.58 116.55 116.85 2p1g n ASP 205 Ca -0.09 0.03 -0.13 0.00 -0.01 0.00 0.00 54.79 54.59 2p1g n ASP 205 Cb 0.61 -0.29 -0.14 0.00 -1.03 0.00 0.00 41.12 40.27 2p1g n ASP 205 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2p1g s VAL 206 N -2.25 -0.04 -0.08 2.12 1.01 -1.26 -2.10 120.40 117.80 2p1g s VAL 206 Ca -0.18 0.14 0.21 0.00 0.00 0.00 0.00 61.98 62.15 2p1g s VAL 206 Cb 0.06 -0.22 -0.30 0.00 0.00 0.00 0.00 36.38 35.91 2p1g s VAL 206 CO 0.27 0.06 0.43 -1.54 0.00 0.00 0.00 175.10 174.32 2p1g n SER 207 N 3.95 0.06 -3.49 3.32 3.41 -0.38 -4.85 113.62 115.64 2p1g n SER 207 Ca -0.24 0.03 -0.15 0.00 -0.26 0.00 0.00 58.87 58.25 2p1g n SER 207 Cb 0.53 1.66 -0.05 0.00 -0.26 0.00 0.00 64.21 66.10 2p1g n SER 207 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2p1g s HIS 208 N -3.28 -0.59 0.13 7.33 2.46 -1.24 -5.04 115.29 115.07 2p1g s HIS 208 Ca -0.08 0.81 0.02 0.00 0.47 0.00 0.00 55.06 56.28 2p1g s HIS 208 Cb 0.12 0.46 -0.04 0.00 -0.13 0.00 0.00 32.58 32.99 2p1g s HIS 208 CO 0.88 -0.66 -0.05 -1.64 -2.47 0.00 0.00 174.74 170.81 2p1g s MET 209 N -2.06 0.97 0.00 2.88 -1.94 -1.26 -0.64 119.30 117.26 2p1g s MET 209 Ca -0.06 -1.43 0.00 0.00 -1.71 0.00 0.00 55.69 52.50 2p1g s MET 209 Cb -0.00 -0.29 0.00 0.00 2.01 0.00 0.00 34.83 36.55 2p1g s MET 209 CO 0.01 -0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.39 2p1g n GLY 210 N -0.14 1.61 3.30 -0.03 0.00 -0.13 -4.68 105.19 105.12 2p1g n GLY 210 Ca -0.10 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 2p1g n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p1g s ILE 211 N -2.65 2.33 0.29 -0.61 1.01 0.10 -0.39 121.20 121.28 2p1g s ILE 211 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 2p1g s ILE 211 Cb 0.00 -1.89 -0.10 0.00 0.01 0.00 0.00 42.46 40.48 2p1g s ILE 211 CO 0.00 0.56 1.33 0.00 0.00 0.00 0.00 174.94 176.83 2p1g s ALA 212 N -0.03 3.53 -0.16 9.38 0.00 0.36 -0.03 121.76 134.80 2p1g s ALA 212 Ca -0.06 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.05 2p1g s ALA 212 Cb -0.15 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.55 2p1g s ALA 212 CO 0.05 -0.63 0.37 -1.50 0.00 0.00 0.00 175.76 174.05 2p1g s ILE 213 N -0.64 -0.17 -0.17 0.00 2.07 -0.69 -1.08 121.20 120.52 2p1g s ILE 213 Ca 0.53 0.13 -0.20 0.00 -1.41 0.00 0.00 60.65 59.70 2p1g s ILE 213 Cb -0.39 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 2p1g s ILE 213 CO 0.47 0.05 0.58 -0.31 -1.91 0.00 0.00 174.94 173.83 2p1g s TYR 214 N 1.68 3.42 -0.07 3.50 2.02 -1.26 -0.14 117.35 126.50 2p1g s TYR 214 Ca -0.07 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.54 2p1g s TYR 214 Cb -0.10 -2.72 0.02 0.00 -0.40 0.00 0.00 41.96 38.77 2p1g s TYR 214 CO -0.12 -0.06 -0.04 0.42 -1.57 0.00 0.00 175.55 174.18 2p1g s ILE 215 N 1.48 0.62 -1.40 2.71 -1.09 -0.14 -4.79 121.20 118.59 2p1g s ILE 215 Ca 0.28 -0.10 -0.08 0.00 -2.23 0.00 0.00 60.65 58.52 2p1g s ILE 215 Cb -0.16 -0.68 0.05 0.00 -1.58 0.00 0.00 42.46 40.09 2p1g s ILE 215 CO 0.11 0.28 0.59 0.29 -1.23 0.00 0.00 174.94 174.97 2p1g n LYS 216 N 4.57 -4.17 -0.31 2.79 5.02 -1.26 -1.03 118.16 123.78 2p1g n LYS 216 Ca -0.16 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 2p1g n LYS 216 Cb 0.50 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 2p1g n LYS 216 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2p1g n GLY 217 N -1.35 2.30 3.89 0.72 0.00 -1.26 -5.01 105.19 104.48 2p1g n GLY 217 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2p1g n GLY 217 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p1g s GLN 218 N -0.01 3.55 -0.35 1.61 -0.21 -0.19 -4.46 119.66 119.60 2p1g s GLN 218 Ca 0.00 -0.11 -0.29 0.00 0.02 0.00 0.00 55.36 54.98 2p1g s GLN 218 Cb 0.00 -3.10 0.02 0.00 1.00 0.00 0.00 33.01 30.93 2p1g s GLN 218 CO 0.00 0.67 1.15 -1.17 -2.12 0.00 0.00 175.29 173.82 2p1g s LEU 219 N -1.70 3.85 0.49 2.90 2.96 0.06 -0.97 118.68 126.28 2p1g s LEU 219 Ca 0.26 0.97 0.05 0.00 -0.22 0.00 0.00 54.13 55.19 2p1g s LEU 219 Cb -0.13 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 2p1g s LEU 219 CO 0.15 -1.02 0.25 -1.00 -1.32 0.00 0.00 176.35 173.41 2p1g s HIS 220 N 4.04 2.01 -0.13 5.38 3.76 0.80 -0.64 115.29 130.51 2p1g s HIS 220 Ca 0.49 -0.78 0.02 0.00 -0.15 0.00 0.00 55.06 54.65 2p1g s HIS 220 Cb -0.12 -1.88 0.01 0.00 1.11 0.00 0.00 32.58 31.70 2p1g s HIS 220 CO 0.21 -0.12 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.62 2p1g s LEU 221 N -4.08 1.94 -0.26 0.89 2.96 -1.26 -1.70 118.68 117.17 2p1g s LEU 221 Ca 0.31 -0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 53.49 2p1g s LEU 221 Cb 0.00 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 2p1g s LEU 221 CO 0.18 0.05 0.59 -0.22 -1.32 0.00 0.00 176.35 175.64 2p1g s LEU 222 N 0.88 4.07 0.13 -0.68 2.96 0.96 -0.65 118.68 126.35 2p1g s LEU 222 Ca -0.07 0.60 -0.22 0.00 -0.22 0.00 0.00 54.13 54.22 2p1g s LEU 222 Cb -0.15 -2.79 0.06 0.00 0.50 0.00 0.00 46.19 43.81 2p1g s LEU 222 CO -0.02 -0.36 0.57 -1.38 -1.32 0.00 0.00 176.35 173.84 2p1g s HIS 223 N 2.46 -0.49 -0.33 5.38 -3.43 -0.58 0.02 115.29 118.32 2p1g s HIS 223 Ca 0.24 0.34 -0.24 0.00 -0.80 0.00 0.00 55.06 54.61 2p1g s HIS 223 Cb -0.15 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 2p1g s HIS 223 CO 0.09 -0.79 0.80 0.00 -2.00 0.00 0.00 174.74 172.84 2p1g s ALA 224 N -3.43 3.49 -0.24 -1.38 0.00 -1.26 -1.15 121.76 117.79 2p1g s ALA 224 Ca -0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 2p1g s ALA 224 Cb -0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2p1g s ALA 224 CO -0.10 -1.32 0.07 0.45 0.00 0.00 0.00 175.76 174.86 2p1g s SER 225 N 1.71 5.24 0.33 0.00 0.15 -0.81 -4.21 113.70 116.11 2p1g s SER 225 Ca 0.32 -0.16 0.15 0.00 0.70 0.00 0.00 55.95 56.97 2p1g s SER 225 Cb -0.14 -1.94 0.53 0.00 -1.71 0.00 0.00 66.02 62.76 2p1g s SER 225 CO 0.14 -0.00 1.67 0.77 1.20 0.00 0.00 173.24 177.02 2p1g h SER 226 N 8.00 0.00 -0.09 5.45 4.64 -1.94 0.80 113.55 130.41 2p1g h SER 226 Ca -0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2p1g h SER 226 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2p1g h SER 226 CO 0.59 0.48 0.04 0.50 -0.87 0.00 0.00 176.83 177.58 2p1g h LYS 227 N 0.00 0.13 0.00 4.77 3.64 -1.94 -3.08 116.57 120.10 2p1g h LYS 227 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2p1g h LYS 227 Cb 0.99 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2p1g h LYS 227 CO 0.06 0.21 -0.41 0.93 -2.27 0.00 0.00 179.45 177.97 2p1g h GLU 228 N 0.03 0.00 -0.28 1.90 4.39 -1.98 -3.48 114.58 115.16 2p1g h GLU 228 Ca 0.03 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 2p1g h GLU 228 Cb 0.12 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 2p1g h GLU 228 CO -0.00 0.00 -0.11 0.41 -1.16 0.00 0.00 179.01 178.15 2p1g n GLY 229 N 1.28 0.83 3.77 -3.84 0.00 0.22 -4.99 105.19 102.46 2p1g n GLY 229 Ca 0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 2p1g n GLY 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p1g s LYS 230 N -2.32 1.26 0.02 1.61 -2.85 -0.87 -1.24 119.74 115.34 2p1g s LYS 230 Ca 0.00 -0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 53.97 2p1g s LYS 230 Cb 0.00 0.43 -0.06 0.00 -2.06 0.00 0.00 37.83 36.14 2p1g s LYS 230 CO 0.00 -0.58 1.37 0.08 0.10 0.00 0.00 175.35 176.33 2p1g s VAL 231 N -3.32 3.72 0.04 1.79 1.01 0.16 -1.91 120.40 121.88 2p1g s VAL 231 Ca 0.12 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 2p1g s VAL 231 Cb -0.02 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2p1g s VAL 231 CO 0.03 0.02 -0.03 0.68 0.00 0.00 0.00 175.10 175.79 2p1g s VAL 232 N 2.14 0.19 -0.34 2.92 -7.23 -0.30 -0.55 120.40 117.22 2p1g s VAL 232 Ca 0.63 -1.48 -0.26 0.00 -1.81 0.00 0.00 61.98 59.06 2p1g s VAL 232 Cb -0.32 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.58 2p1g s VAL 232 CO 0.27 -0.81 0.93 -0.69 -0.31 0.00 0.00 175.10 174.49 2p1g s VAL 233 N -2.99 4.62 0.36 1.32 1.01 -1.26 -1.53 120.40 121.92 2p1g s VAL 233 Ca -0.02 1.34 -0.28 0.00 0.00 0.00 0.00 61.98 63.03 2p1g s VAL 233 Cb 0.01 -4.31 -0.12 0.00 0.00 0.00 0.00 36.38 31.97 2p1g s VAL 233 CO -0.07 -0.45 1.32 0.61 0.00 0.00 0.00 175.10 176.52 2p1g n GLY 234 N 4.19 0.69 0.14 4.51 0.00 0.17 -4.91 105.19 109.98 2p1g n GLY 234 Ca 0.08 0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.40 2p1g n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p1g h LYS 235 N 2.53 0.00 -5.58 1.61 1.57 -1.95 -3.43 116.57 111.32 2p1g h LYS 235 Ca -0.47 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.66 2p1g h LYS 235 Cb 1.28 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.47 2p1g h LYS 235 CO 0.62 0.58 -0.54 0.95 -0.57 0.00 0.00 179.45 180.49 2p1g s THR 236 N -3.35 5.01 0.47 -0.16 -4.23 -1.26 -5.06 115.64 107.06 2p1g s THR 236 Ca 0.00 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.32 2p1g s THR 236 Cb 0.11 -3.20 -0.09 0.00 1.34 0.00 0.00 72.50 70.65 2p1g s THR 236 CO 0.74 0.55 0.96 0.00 -0.54 0.00 0.00 174.62 176.33 2p1g n ALA 237 N 2.62 0.06 -0.25 3.99 0.00 -1.26 -4.69 120.51 120.97 2p1g n ALA 237 Ca -0.18 0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2p1g n ALA 237 Cb 0.54 -2.06 0.17 0.00 0.00 0.00 0.00 19.45 18.10 2p1g n ALA 237 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2p1g h LEU 238 N 1.22 0.32 -1.45 0.00 5.85 -1.18 -0.97 115.31 119.11 2p1g h LEU 238 Ca -0.45 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.45 2p1g h LEU 238 Cb 1.35 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.39 2p1g h LEU 238 CO 0.55 0.14 0.47 0.77 -0.34 0.00 0.00 178.44 180.03 2p1g h SER 239 N 0.48 0.57 0.02 1.25 4.64 -1.81 -1.22 113.55 117.47 2p1g h SER 239 Ca 0.40 0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.47 2p1g h SER 239 Cb 0.56 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2p1g h SER 239 CO -0.37 0.35 -0.97 -0.61 -0.87 0.00 0.00 176.83 174.36 2p1g h GLN 240 N 0.64 0.68 -0.75 4.77 4.15 -1.55 -0.72 115.11 122.33 2p1g h GLN 240 Ca 0.32 -0.69 0.11 0.00 0.77 0.00 0.00 58.65 59.16 2p1g h GLN 240 Cb 0.41 0.18 -0.08 0.00 0.21 0.00 0.00 27.48 28.21 2p1g h GLN 240 CO -0.11 1.28 0.37 0.52 -1.93 0.00 0.00 178.83 178.96 2p1g h MET 241 N 0.41 0.59 -0.02 1.69 2.86 -0.61 0.14 114.93 119.98 2p1g h MET 241 Ca -0.10 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2p1g h MET 241 Cb 1.61 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.14 2p1g h MET 241 CO 0.19 0.39 -0.04 -0.07 1.06 0.00 0.00 176.91 178.44 2p1g h LEU 242 N 0.60 0.07 -1.71 1.22 3.38 -1.16 -3.24 115.31 114.47 2p1g h LEU 242 Ca 0.38 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2p1g h LEU 242 Cb 0.44 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2p1g h LEU 242 CO -0.30 0.61 -0.13 0.11 0.09 0.00 0.00 178.44 178.82 2p1g h LYS 243 N -0.46 0.00 0.00 1.13 1.57 -0.92 -2.63 116.57 115.26 2p1g h LYS 243 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2p1g h LYS 243 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2p1g h LYS 243 CO 0.01 0.13 -0.13 -0.44 -0.57 0.00 0.00 179.45 178.44 2p1g h ASP 244 N 0.00 0.00 -3.34 0.86 3.32 -0.99 -3.43 116.42 112.84 2p1g h ASP 244 Ca -0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 2p1g h ASP 244 Cb 0.45 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.70 2p1g h ASP 244 CO 0.02 0.13 -0.75 -0.13 -1.72 0.00 0.00 179.24 176.79 2p1g s ARG 245 N -3.55 3.24 0.43 3.56 0.52 -0.99 -5.00 118.95 117.16 2p1g s ARG 245 Ca 0.02 -0.70 0.15 0.00 -0.52 0.00 0.00 55.73 54.68 2p1g s ARG 245 Cb 0.09 -2.92 0.95 0.00 0.52 0.00 0.00 34.95 33.59 2p1g s ARG 245 CO 0.62 -0.22 1.94 0.87 0.02 0.00 0.00 175.30 178.52 2p1g h LYS 246 N 8.07 0.00 0.00 3.54 1.57 -1.84 -2.49 116.57 125.42 2p1g h LYS 246 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2p1g h LYS 246 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2p1g h LYS 246 CO 0.61 0.24 0.00 -1.13 -0.57 0.00 0.00 179.45 178.60 2p1g n SER 247 N -4.16 0.66 -4.79 0.86 3.41 -1.26 -4.76 113.62 103.57 2p1g n SER 247 Ca -0.02 0.59 -0.39 0.00 -0.26 0.00 0.00 58.87 58.79 2p1g n SER 247 Cb 0.30 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 2p1g n SER 247 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2p1g s LEU 248 N -4.29 4.51 -0.01 1.04 1.43 -0.94 -1.59 118.68 118.82 2p1g s LEU 248 Ca 0.09 1.32 0.05 0.00 -1.03 0.00 0.00 54.13 54.56 2p1g s LEU 248 Cb 0.12 -2.99 -0.08 0.00 0.03 0.00 0.00 46.19 43.27 2p1g s LEU 248 CO 0.52 0.20 0.10 0.35 0.23 0.00 0.00 176.35 177.75 2p1g n THR 249 N 2.03 0.06 -3.66 5.49 -2.24 -0.18 -4.92 114.28 110.85 2p1g n THR 249 Ca -0.08 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2p1g n THR 249 Cb 0.50 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 2p1g n THR 249 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p1g n GLY 250 N 2.29 -0.70 3.08 3.38 0.00 -1.24 -0.83 105.19 111.17 2p1g n GLY 250 Ca -0.02 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 2p1g n GLY 250 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2p1g s ILE 251 N -3.00 0.37 0.01 -0.61 -4.36 -0.39 -1.24 121.20 111.97 2p1g s ILE 251 Ca 0.00 -1.49 0.03 0.00 -0.26 0.00 0.00 60.65 58.93 2p1g s ILE 251 Cb 0.00 -1.10 -0.03 0.00 1.25 0.00 0.00 42.46 42.58 2p1g s ILE 251 CO 0.00 -0.74 -0.05 -0.13 0.24 0.00 0.00 174.94 174.26 2p1g s ARG 252 N -2.89 2.58 -0.16 0.37 0.52 0.39 -0.57 118.95 119.19 2p1g s ARG 252 Ca -0.00 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2p1g s ARG 252 Cb -0.00 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.95 2p1g s ARG 252 CO -0.05 0.60 -0.20 0.08 0.02 0.00 0.00 175.30 175.75 2p1g s VAL 253 N -1.04 2.16 0.18 3.52 1.01 -1.26 -0.96 120.40 124.01 2p1g s VAL 253 Ca 0.18 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.33 2p1g s VAL 253 Cb -0.11 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2p1g s VAL 253 CO 0.09 0.54 -0.21 -0.76 0.00 0.00 0.00 175.10 174.76 2p1g s LEU 254 N 1.03 2.44 -0.01 3.92 1.43 -0.05 -0.79 118.68 126.66 2p1g s LEU 254 Ca -0.01 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 2p1g s LEU 254 Cb -0.14 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.11 2p1g s LEU 254 CO -0.06 0.03 0.01 -0.60 0.23 0.00 0.00 176.35 175.96 2p1g s ARG 255 N -2.78 0.01 0.00 1.70 3.52 -0.39 -0.24 118.95 120.77 2p1g s ARG 255 Ca 0.18 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 2p1g s ARG 255 Cb -0.07 -0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.20 2p1g s ARG 255 CO 0.08 -0.06 0.45 -0.12 -0.81 0.00 0.00 175.30 174.84