#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1g n GLY 65 N 0.00 2.52 3.45 0.55 0.00 -1.26 -4.64 105.19 105.81 2x1g n GLY 65 Ca 0.00 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 2x1g n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2x1g n PRO 66 N 0.00 -0.06 -4.33 1.61 -0.02 -1.26 0.13 135.00 131.07 2x1g n PRO 66 Ca 0.00 0.03 -0.21 0.00 -2.02 0.00 0.00 63.50 61.30 2x1g n PRO 66 Cb 0.00 -1.88 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 2x1g n PRO 66 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2x1g s GLN 67 N -3.38 1.10 0.24 -0.52 -1.52 0.25 -4.34 119.66 111.49 2x1g s GLN 67 Ca 0.61 -0.23 -0.30 0.00 -1.95 0.00 0.00 55.36 53.49 2x1g s GLN 67 Cb -0.26 -1.01 -0.09 0.00 -0.22 0.00 0.00 33.01 31.44 2x1g s GLN 67 CO 0.63 -0.02 1.12 0.50 -0.25 0.00 0.00 175.29 177.28 2x1g s ARG 68 N 0.71 4.60 0.23 2.91 3.52 -1.26 -4.62 118.95 125.05 2x1g s ARG 68 Ca -0.11 1.81 0.07 0.00 -0.13 0.00 0.00 55.73 57.36 2x1g s ARG 68 Cb -0.14 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 2x1g s ARG 68 CO 0.01 0.12 0.17 -1.54 -0.81 0.00 0.00 175.30 173.25 2x1g s SER 69 N -0.52 5.46 0.28 -2.12 1.04 0.55 -4.96 113.70 113.43 2x1g s SER 69 Ca 0.47 -0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.61 2x1g s SER 69 Cb -0.32 -1.38 0.54 0.00 0.10 0.00 0.00 66.02 64.97 2x1g s SER 69 CO 0.39 -0.01 1.59 0.58 0.98 0.00 0.00 173.24 176.77 2x1g h VAL 70 N 1.63 0.13 0.00 5.02 2.07 -2.03 0.49 116.25 123.56 2x1g h VAL 70 Ca -0.48 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2x1g h VAL 70 Cb 1.23 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2x1g h VAL 70 CO 0.61 0.01 -0.04 -0.33 0.02 0.00 0.00 177.57 177.84 2x1g h GLU 71 N 0.03 0.00 0.00 1.57 3.07 -1.99 -3.50 114.58 113.77 2x1g h GLU 71 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 2x1g h GLU 71 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 2x1g h GLU 71 CO -0.86 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.16 2x1g n GLY 72 N 1.24 0.22 3.64 -3.84 0.00 0.17 -4.60 105.19 102.03 2x1g n GLY 72 Ca 0.05 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 2x1g n GLY 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x1g s TRP 73 N -4.00 3.24 -0.00 1.61 0.52 -0.32 0.20 118.94 120.20 2x1g s TRP 73 Ca 0.00 0.08 0.04 0.00 0.02 0.00 0.00 56.10 56.23 2x1g s TRP 73 Cb 0.00 -2.04 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 2x1g s TRP 73 CO 0.00 0.19 -0.10 0.42 0.02 0.00 0.00 176.95 177.48 2x1g s ILE 74 N 0.21 3.40 0.11 2.03 1.01 -1.26 -0.37 121.20 126.32 2x1g s ILE 74 Ca 0.04 -0.83 0.10 0.00 0.00 0.00 0.00 60.65 59.95 2x1g s ILE 74 Cb -0.12 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 2x1g s ILE 74 CO 0.01 0.42 -0.22 -0.76 0.00 0.00 0.00 174.94 174.38 2x1g s LEU 75 N -1.29 2.50 -0.39 2.97 1.43 0.25 -0.76 118.68 123.38 2x1g s LEU 75 Ca 0.15 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 2x1g s LEU 75 Cb -0.11 -1.39 0.09 0.00 0.03 0.00 0.00 46.19 44.82 2x1g s LEU 75 CO 0.06 0.19 0.19 0.12 0.23 0.00 0.00 176.35 177.13 2x1g s PHE 76 N -1.08 3.48 -0.22 0.29 5.36 0.21 -2.02 117.98 124.01 2x1g s PHE 76 Ca 0.16 -2.14 -0.24 0.00 -0.96 0.00 0.00 56.93 53.75 2x1g s PHE 76 Cb -0.10 -3.00 -0.01 0.00 -0.34 0.00 0.00 43.02 39.57 2x1g s PHE 76 CO 0.08 -0.92 0.78 0.08 -1.46 0.00 0.00 175.22 173.78 2x1g s VAL 77 N 1.22 4.88 0.36 3.12 1.01 -0.28 -2.55 120.40 128.16 2x1g s VAL 77 Ca 0.05 1.49 0.08 0.00 0.00 0.00 0.00 61.98 63.60 2x1g s VAL 77 Cb -0.22 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2x1g s VAL 77 CO -0.02 -0.02 0.17 0.42 0.00 0.00 0.00 175.10 175.65 2x1g s THR 78 N 2.53 2.93 -0.96 3.92 -4.23 0.16 -1.97 115.64 118.01 2x1g s THR 78 Ca 0.34 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 59.14 2x1g s THR 78 Cb -0.16 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.70 2x1g s THR 78 CO 0.09 -0.14 0.82 -0.24 -0.54 0.00 0.00 174.62 174.61 2x1g n SER 79 N -1.20 -5.09 -4.73 3.99 2.88 -1.14 -0.27 113.62 108.06 2x1g n SER 79 Ca -0.02 -0.37 -0.38 0.00 -1.33 0.00 0.00 58.87 56.77 2x1g n SER 79 Cb 0.62 -3.69 -0.06 0.00 -0.75 0.00 0.00 64.21 60.32 2x1g n SER 79 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2x1g s ILE 80 N -3.22 5.18 0.53 2.46 1.01 -0.70 -4.11 121.20 122.35 2x1g s ILE 80 Ca 0.41 0.93 -0.18 0.00 0.00 0.00 0.00 60.65 61.80 2x1g s ILE 80 Cb -0.18 -3.80 -0.12 0.00 0.01 0.00 0.00 42.46 38.37 2x1g s ILE 80 CO 0.50 0.35 0.23 1.57 0.00 0.00 0.00 174.94 177.60 2x1g n HIS 81 N 3.52 -1.66 0.18 3.97 -0.00 -1.26 -4.13 115.22 115.84 2x1g n HIS 81 Ca -0.08 0.46 0.04 0.00 -0.00 0.00 0.00 57.72 58.15 2x1g n HIS 81 Cb 0.52 -1.84 0.32 0.00 -0.00 0.00 0.00 29.99 28.99 2x1g n HIS 81 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 2x1g h GLU 82 N 0.17 0.00 -0.02 1.57 9.09 -1.92 -2.68 114.58 120.80 2x1g h GLU 82 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 2x1g h GLU 82 Cb 1.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.52 2x1g h GLU 82 CO 0.45 0.41 -0.19 -0.85 0.05 0.00 0.00 179.01 178.89 2x1g n GLU 83 N -3.63 1.44 -1.67 1.06 -0.00 -1.26 -2.04 120.64 114.54 2x1g n GLU 83 Ca -0.01 -1.01 -0.48 0.00 -0.00 0.00 0.00 57.16 55.65 2x1g n GLU 83 Cb 0.51 -1.48 -0.05 0.00 -0.00 0.00 0.00 31.44 30.43 2x1g n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2x1g n ALA 84 N 0.10 0.80 -2.58 -1.84 0.00 -1.01 -4.94 120.51 111.04 2x1g n ALA 84 Ca 0.14 0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.73 2x1g n ALA 84 Cb 0.43 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 2x1g n ALA 84 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2x1g s GLN 85 N 2.34 2.42 0.53 0.00 -0.21 -1.26 -4.71 119.66 118.77 2x1g s GLN 85 Ca 0.87 -1.45 0.35 0.00 0.02 0.00 0.00 55.36 55.14 2x1g s GLN 85 Cb -0.74 -2.22 1.52 0.00 1.00 0.00 0.00 33.01 32.56 2x1g s GLN 85 CO 0.47 0.21 1.82 1.49 -2.12 0.00 0.00 175.29 177.15 2x1g h GLU 86 N 1.62 0.02 -0.43 2.91 4.81 -1.95 0.05 114.58 121.60 2x1g h GLU 86 Ca -0.44 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.73 2x1g h GLU 86 Cb 1.25 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 2x1g h GLU 86 CO 0.62 0.01 0.06 -0.44 -0.73 0.00 0.00 179.01 178.53 2x1g h ASP 87 N 0.02 0.69 0.23 1.04 5.19 -1.95 0.52 116.42 122.16 2x1g h ASP 87 Ca 0.54 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 2x1g h ASP 87 Cb 2.13 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 41.45 2x1g h ASP 87 CO -0.02 0.79 -0.11 -0.33 -3.12 0.00 0.00 179.24 176.45 2x1g h GLU 88 N 0.58 -0.29 -0.72 3.56 3.07 -1.38 -1.01 114.58 118.39 2x1g h GLU 88 Ca 0.13 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.95 2x1g h GLU 88 Cb 0.40 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 2x1g h GLU 88 CO 0.01 -0.08 0.21 0.82 -1.40 0.00 0.00 179.01 178.57 2x1g h ILE 89 N -0.46 1.26 0.00 3.13 2.04 -1.57 -1.58 117.51 120.33 2x1g h ILE 89 Ca -0.03 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2x1g h ILE 89 Cb 0.35 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2x1g h ILE 89 CO 0.05 0.36 0.00 1.67 0.00 0.00 0.00 178.15 180.23 2x1g n GLN 90 N -4.27 0.13 0.01 2.37 -0.06 0.17 -2.63 117.38 113.10 2x1g n GLN 90 Ca 0.05 0.19 -0.22 0.00 -2.00 0.00 0.00 57.00 55.03 2x1g n GLN 90 Cb 0.24 -1.50 -0.14 0.00 -4.06 0.00 0.00 30.24 24.78 2x1g n GLN 90 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2x1g h GLU 91 N 0.00 0.26 -0.02 3.69 4.39 -0.13 -3.36 114.58 119.41 2x1g h GLU 91 Ca 0.00 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2x1g h GLU 91 Cb 0.18 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2x1g h GLU 91 CO 0.00 1.21 -0.10 0.36 -1.16 0.00 0.00 179.01 179.32 2x1g n LYS 92 N -3.82 1.89 -0.03 2.33 -0.00 -1.18 -4.28 118.16 113.06 2x1g n LYS 92 Ca -0.27 -1.47 0.05 0.00 -0.00 0.00 0.00 58.31 56.63 2x1g n LYS 92 Cb 0.94 -1.47 0.07 0.00 -0.00 0.00 0.00 35.03 34.57 2x1g n LYS 92 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2x1g n PHE 93 N 0.73 0.09 0.42 5.58 3.01 -1.08 -4.43 117.46 121.77 2x1g n PHE 93 Ca 0.14 -0.10 0.11 0.00 1.01 0.00 0.00 57.45 58.61 2x1g n PHE 93 Cb 0.51 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.89 2x1g n PHE 93 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2x1g h ASP 95 N 0.00 0.00 -0.32 0.00 1.82 -1.80 -3.04 116.42 113.08 2x1g h ASP 95 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2x1g h ASP 95 Cb 0.80 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.81 2x1g h ASP 95 CO 0.00 0.00 0.00 -1.22 -1.61 0.00 0.00 179.24 176.41 2x1g n TYR 96 N -2.75 0.42 0.00 0.28 4.02 -1.26 -5.06 117.16 112.81 2x1g n TYR 96 Ca 0.01 -0.29 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 2x1g n TYR 96 Cb 0.25 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 2x1g n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x1g n GLY 97 N 1.06 1.85 3.50 2.72 0.00 -1.15 -4.53 105.19 108.63 2x1g n GLY 97 Ca 0.15 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 2x1g n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x1g s GLU 98 N -1.91 3.49 -0.17 1.61 -6.30 -1.26 -4.56 118.70 109.60 2x1g s GLU 98 Ca 0.00 -1.28 -0.32 0.00 -2.50 0.00 0.00 54.97 50.87 2x1g s GLU 98 Cb 0.00 -4.92 -0.09 0.00 0.00 0.00 0.00 34.13 29.12 2x1g s GLU 98 CO 0.00 -1.97 2.07 0.44 0.02 0.00 0.00 175.26 175.83 2x1g n ILE 99 N 6.13 0.44 -0.19 -3.70 -0.00 -1.26 -3.86 119.36 116.92 2x1g n ILE 99 Ca 0.22 -0.26 0.00 0.00 -0.00 0.00 0.00 62.75 62.71 2x1g n ILE 99 Cb 0.49 -2.11 0.10 0.00 -0.00 0.00 0.00 39.64 38.13 2x1g n ILE 99 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.55 176.62 2x1g h LYS 100 N 11.99 0.23 -3.56 6.28 -0.00 -1.15 -3.45 116.57 126.92 2x1g h LYS 100 Ca -0.42 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.65 60.17 2x1g h LYS 100 Cb 1.27 -0.05 -0.10 0.00 -0.00 0.00 0.00 32.23 33.35 2x1g h LYS 100 CO 0.97 0.15 -0.09 -0.80 -0.00 0.00 0.00 179.45 179.68 2x1g s ASN 101 N -5.29 -0.12 0.04 7.07 0.01 -1.14 -5.04 114.94 110.47 2x1g s ASN 101 Ca -0.13 -0.77 -0.02 0.00 -0.71 0.00 0.00 52.86 51.23 2x1g s ASN 101 Cb 0.18 0.56 -0.03 0.00 0.41 0.00 0.00 41.25 42.37 2x1g s ASN 101 CO 0.74 -1.08 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.62 2x1g s ILE 102 N -3.96 0.17 -0.21 0.60 1.09 -1.26 -0.81 121.20 116.82 2x1g s ILE 102 Ca 0.17 -1.44 -0.09 0.00 -1.10 0.00 0.00 60.65 58.19 2x1g s ILE 102 Cb -0.00 -1.08 0.09 0.00 -1.06 0.00 0.00 42.46 40.40 2x1g s ILE 102 CO 0.04 -0.79 0.48 -2.28 -0.10 0.00 0.00 174.94 172.28 2x1g s HIS 103 N -3.06 -0.85 -0.36 3.97 2.46 -0.86 -4.94 115.29 111.65 2x1g s HIS 103 Ca -0.01 1.64 0.02 0.00 0.47 0.00 0.00 55.06 57.17 2x1g s HIS 103 Cb 0.02 0.40 0.11 0.00 -0.13 0.00 0.00 32.58 32.97 2x1g s HIS 103 CO -0.07 -0.48 0.11 -1.17 -2.47 0.00 0.00 174.74 170.67 2x1g s LEU 104 N 2.22 3.35 0.03 8.88 2.96 -1.26 -0.11 118.68 134.74 2x1g s LEU 104 Ca -0.05 -2.08 -0.21 0.00 -0.22 0.00 0.00 54.13 51.57 2x1g s LEU 104 Cb -0.10 -1.22 -0.06 0.00 0.50 0.00 0.00 46.19 45.31 2x1g s LEU 104 CO -0.14 -0.37 0.63 0.21 -1.32 0.00 0.00 176.35 175.36 2x1g s ASN 105 N 1.03 7.06 0.35 3.68 2.47 -1.07 -4.90 114.94 123.55 2x1g s ASN 105 Ca 0.12 1.26 0.09 0.00 0.42 0.00 0.00 52.86 54.75 2x1g s ASN 105 Cb -0.20 -2.39 -0.06 0.00 -1.45 0.00 0.00 41.25 37.15 2x1g s ASN 105 CO -0.13 0.12 -0.08 -1.81 -3.72 0.00 0.00 177.10 171.48 2x1g s ASP 107 N -0.37 3.80 -0.10 -4.21 1.01 -1.26 -0.56 116.67 114.97 2x1g s ASP 107 Ca 0.32 -1.18 -0.21 0.00 0.71 0.00 0.00 52.55 52.19 2x1g s ASP 107 Cb -0.19 -0.37 0.05 0.00 1.01 0.00 0.00 42.92 43.41 2x1g s ASP 107 CO 0.19 -0.22 0.50 -0.13 0.21 0.00 0.00 175.17 175.72 2x1g s ARG 108 N -3.63 0.75 -1.65 8.23 0.52 -1.05 -4.91 118.95 117.21 2x1g s ARG 108 Ca 0.33 0.33 -0.15 0.00 -0.52 0.00 0.00 55.73 55.72 2x1g s ARG 108 Cb 0.03 0.35 0.13 0.00 0.52 0.00 0.00 34.95 35.98 2x1g s ARG 108 CO 0.17 -0.17 0.74 2.89 0.02 0.00 0.00 175.30 178.94 2x1g n ARG 109 N 1.85 -3.30 -0.89 3.54 1.85 -1.26 0.13 116.66 118.58 2x1g n ARG 109 Ca -0.17 0.39 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 2x1g n ARG 109 Cb 0.56 -5.02 0.00 0.00 -1.05 0.00 0.00 32.46 26.95 2x1g n ARG 109 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2x1g n THR 110 N -4.41 0.00 -2.48 8.89 -1.04 -1.26 -4.97 114.28 109.01 2x1g n THR 110 Ca 0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 2x1g n THR 110 Cb 0.52 -0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 68.60 2x1g n THR 110 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2x1g s GLY 111 N -2.00 2.04 0.48 3.41 0.00 0.34 -4.92 107.32 106.68 2x1g s GLY 111 Ca 0.00 0.56 0.19 0.00 0.00 0.00 0.00 44.72 45.47 2x1g s GLY 111 CO 0.00 2.23 2.00 0.74 0.00 0.00 0.00 173.10 178.07 2x1g h PHE 112 N 7.54 0.20 -3.92 1.90 -1.00 -1.86 -2.77 116.94 117.04 2x1g h PHE 112 Ca -0.32 0.01 -0.27 0.00 2.81 0.00 0.00 57.97 60.19 2x1g h PHE 112 Cb 1.15 -0.07 -0.15 0.00 3.61 0.00 0.00 35.95 40.50 2x1g h PHE 112 CO 0.74 0.09 -0.65 -1.12 -1.61 0.00 0.00 178.31 175.76 2x1g s SER 113 N -6.29 1.01 0.00 2.17 0.01 -0.86 -4.51 113.70 105.22 2x1g s SER 113 Ca -0.06 -1.21 0.08 0.00 1.31 0.00 0.00 55.95 56.07 2x1g s SER 113 Cb 0.19 0.16 0.16 0.00 0.21 0.00 0.00 66.02 66.75 2x1g s SER 113 CO 0.73 -0.63 1.02 1.17 0.41 0.00 0.00 173.24 175.94 2x1g n LYS 114 N -0.24 1.78 -0.86 12.44 3.00 0.27 -4.67 118.16 129.88 2x1g n LYS 114 Ca -0.05 -1.54 0.00 0.00 -0.00 0.00 0.00 58.31 56.72 2x1g n LYS 114 Cb 0.64 -1.18 0.00 0.00 0.00 0.00 0.00 35.03 34.48 2x1g n LYS 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2x1g n GLY 115 N 0.35 0.73 3.20 3.14 0.00 -1.25 -5.01 105.19 106.34 2x1g n GLY 115 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2x1g n GLY 115 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x1g s TYR 116 N -2.75 0.27 -0.09 1.61 -0.85 -1.26 -1.72 117.35 112.57 2x1g s TYR 116 Ca 0.00 -0.72 -0.14 0.00 -0.52 0.00 0.00 57.07 55.69 2x1g s TYR 116 Cb 0.00 -0.14 0.03 0.00 0.38 0.00 0.00 41.96 42.24 2x1g s TYR 116 CO 0.00 -0.53 0.35 0.00 -1.52 0.00 0.00 175.55 173.85 2x1g s ALA 117 N -3.89 -0.88 -0.71 9.51 0.00 -0.83 -2.61 121.76 122.34 2x1g s ALA 117 Ca 0.07 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 2x1g s ALA 117 Cb 0.05 -0.31 0.19 0.00 0.00 0.00 0.00 23.12 23.05 2x1g s ALA 117 CO -0.09 -0.21 0.63 -0.51 0.00 0.00 0.00 175.76 175.57 2x1g s LEU 118 N -0.46 6.31 -0.12 0.00 1.43 0.84 -1.13 118.68 125.56 2x1g s LEU 118 Ca -0.06 -2.50 -0.23 0.00 -1.03 0.00 0.00 54.13 50.32 2x1g s LEU 118 Cb -0.04 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 2x1g s LEU 118 CO 0.02 -0.60 0.69 -0.69 0.23 0.00 0.00 176.35 176.00 2x1g s VAL 119 N 0.47 5.02 -0.11 -1.59 1.01 -0.86 -2.02 120.40 122.32 2x1g s VAL 119 Ca 0.14 1.37 0.02 0.00 0.00 0.00 0.00 61.98 63.51 2x1g s VAL 119 Cb -0.17 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2x1g s VAL 119 CO -0.05 0.18 -0.18 -0.70 0.00 0.00 0.00 175.10 174.35 2x1g s GLU 120 N 1.30 3.21 -0.09 2.72 2.12 0.01 -0.58 118.70 127.38 2x1g s GLU 120 Ca 0.35 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.91 2x1g s GLU 120 Cb -0.17 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 2x1g s GLU 120 CO 0.15 0.20 -0.15 0.71 -0.54 0.00 0.00 175.26 175.63 2x1g s TYR 121 N 0.33 2.73 0.26 5.30 1.51 0.50 -0.58 117.35 127.40 2x1g s TYR 121 Ca -0.15 -0.48 -0.01 0.00 -1.01 0.00 0.00 57.07 55.43 2x1g s TYR 121 Cb -0.17 -1.74 0.56 0.00 -0.11 0.00 0.00 41.96 40.50 2x1g s TYR 121 CO 0.07 -0.07 1.74 1.05 -1.11 0.00 0.00 175.55 177.24 2x1g h GLU 122 N 6.13 0.51 0.00 -0.62 9.09 -1.81 -0.83 114.58 127.05 2x1g h GLU 122 Ca -0.34 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.04 2x1g h GLU 122 Cb 1.19 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 2x1g h GLU 122 CO 0.53 0.34 0.00 0.25 0.05 0.00 0.00 179.01 180.18 2x1g n THR 123 N -4.94 0.00 0.00 -1.06 -2.24 -1.26 -4.38 114.28 100.40 2x1g n THR 123 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2x1g n THR 123 Cb 0.48 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 2x1g n THR 123 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2x1g n HIS 124 N -1.19 0.00 -0.26 4.78 -0.00 -1.26 -3.85 115.22 113.44 2x1g n HIS 124 Ca 0.00 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.11 2x1g n HIS 124 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 2x1g n HIS 124 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 2x1g h LYS 125 N 0.00 1.08 -0.03 1.57 6.56 -1.96 -0.62 116.57 123.17 2x1g h LYS 125 Ca 0.00 -0.22 -0.17 0.00 -1.06 0.00 0.00 60.65 59.20 2x1g h LYS 125 Cb 0.49 -0.16 0.01 0.00 -0.57 0.00 0.00 32.23 31.99 2x1g h LYS 125 CO 0.00 0.91 -0.63 1.96 -2.06 0.00 0.00 179.45 179.63 2x1g h GLN 126 N 1.03 0.49 -0.60 3.15 4.20 -1.82 -1.41 115.11 120.14 2x1g h GLN 126 Ca 0.23 -0.48 0.08 0.00 0.06 0.00 0.00 58.65 58.54 2x1g h GLN 126 Cb 0.26 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.10 2x1g h GLN 126 CO -0.01 1.12 0.24 0.00 -0.67 0.00 0.00 178.83 179.51 2x1g h ALA 127 N 0.38 0.78 -0.06 3.87 0.00 -1.70 0.27 119.26 122.80 2x1g h ALA 127 Ca -0.07 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2x1g h ALA 127 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2x1g h ALA 127 CO 0.13 -0.16 -0.19 1.25 0.00 0.00 0.00 179.25 180.28 2x1g h LEU 128 N 0.44 0.28 -0.84 0.00 5.85 -1.16 0.66 115.31 120.53 2x1g h LEU 128 Ca 0.30 -0.61 0.16 0.00 0.84 0.00 0.00 57.88 58.56 2x1g h LEU 128 Cb 0.33 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.18 2x1g h LEU 128 CO -0.28 0.84 0.41 0.00 -0.34 0.00 0.00 178.44 179.07 2x1g h ALA 129 N 0.44 1.26 -0.01 1.25 0.00 -0.79 0.82 119.26 122.24 2x1g h ALA 129 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2x1g h ALA 129 Cb 0.81 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2x1g h ALA 129 CO 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 179.25 179.13 2x1g h ALA 130 N 1.58 0.02 -1.01 0.00 0.00 -0.45 -0.83 119.26 118.57 2x1g h ALA 130 Ca 0.47 -0.27 0.23 0.00 0.00 0.00 0.00 54.91 55.34 2x1g h ALA 130 Cb 0.71 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 2x1g h ALA 130 CO -0.39 -0.21 0.63 -0.22 0.00 0.00 0.00 179.25 179.06 2x1g h LYS 131 N -0.49 0.53 0.11 0.00 3.64 0.54 0.99 116.57 121.89 2x1g h LYS 131 Ca 0.00 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.11 2x1g h LYS 131 Cb 0.55 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2x1g h LYS 131 CO 0.00 0.35 -1.22 0.93 -2.27 0.00 0.00 179.45 177.25 2x1g h GLU 132 N 0.54 0.23 0.00 1.90 5.08 -0.90 -3.25 114.58 118.18 2x1g h GLU 132 Ca 0.59 -0.39 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2x1g h GLU 132 Cb 1.24 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 2x1g h GLU 132 CO -0.35 1.19 -0.50 0.00 -1.00 0.00 0.00 179.01 178.35 2x1g h ALA 133 N -0.04 0.77 -0.58 3.43 0.00 -0.58 -3.28 119.26 118.99 2x1g h ALA 133 Ca -0.26 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2x1g h ALA 133 Cb 1.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2x1g h ALA 133 CO 0.06 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.21 2x1g n LEU 134 N -3.37 3.61 -0.09 0.00 4.77 0.34 -4.58 117.00 117.68 2x1g n LEU 134 Ca 0.01 -1.89 -0.02 0.00 -0.03 0.00 0.00 56.01 54.08 2x1g n LEU 134 Cb 0.66 -0.38 0.23 0.00 -2.33 0.00 0.00 43.42 41.60 2x1g n LEU 134 CO 0.40 0.88 0.97 -1.13 -1.33 0.00 0.00 177.39 177.17 2x1g h ASN 135 N 3.80 0.68 -0.25 -1.43 -1.24 -1.61 -2.92 115.58 112.61 2x1g h ASN 135 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.89 2x1g h ASN 135 Cb 0.92 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.79 2x1g h ASN 135 CO 0.00 0.69 0.00 0.61 -1.29 0.00 0.00 177.43 177.44 2x1g n GLY 136 N -0.88 1.39 3.17 1.57 0.00 -1.26 -4.13 105.19 105.05 2x1g n GLY 136 Ca 0.03 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 2x1g n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x1g n ALA 137 N 1.33 -2.86 -3.64 4.61 0.00 -1.10 -4.46 120.51 114.39 2x1g n ALA 137 Ca 0.16 0.25 -0.27 0.00 0.00 0.00 0.00 53.44 53.58 2x1g n ALA 137 Cb 0.57 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 2x1g n ALA 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2x1g n GLU 138 N 1.13 1.11 -3.82 0.00 -0.58 -1.26 0.07 120.64 117.29 2x1g n GLU 138 Ca 0.14 -3.89 -0.32 0.00 -0.42 0.00 0.00 57.16 52.66 2x1g n GLU 138 Cb 0.32 -1.99 -0.05 0.00 -0.57 0.00 0.00 31.44 29.15 2x1g n GLU 138 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2x1g s ILE 139 N -0.84 5.32 -1.60 -3.67 2.07 -0.56 -4.41 121.20 117.51 2x1g s ILE 139 Ca 0.29 -0.11 -0.17 0.00 -1.41 0.00 0.00 60.65 59.25 2x1g s ILE 139 Cb 0.01 -3.60 0.15 0.00 0.13 0.00 0.00 42.46 39.15 2x1g s ILE 139 CO -0.18 0.20 0.71 0.23 -1.91 0.00 0.00 174.94 173.99 2x1g n MET 140 N 0.55 -3.03 0.00 3.50 2.81 -1.26 -2.01 117.12 117.68 2x1g n MET 140 Ca -0.07 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 2x1g n MET 140 Cb 0.52 -5.08 0.00 0.00 -0.71 0.00 0.00 33.22 27.95 2x1g n MET 140 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2x1g n GLY 141 N -1.30 2.36 3.88 3.03 0.00 -1.26 -4.84 105.19 107.06 2x1g n GLY 141 Ca 0.07 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 2x1g n GLY 141 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2x1g s GLN 142 N 0.00 3.74 0.40 1.61 0.74 -0.85 -5.00 119.66 120.30 2x1g s GLN 142 Ca 0.00 0.24 -0.12 0.00 0.05 0.00 0.00 55.36 55.53 2x1g s GLN 142 Cb 0.00 -2.57 -0.07 0.00 1.10 0.00 0.00 33.01 31.47 2x1g s GLN 142 CO 0.00 0.18 0.78 0.99 -0.55 0.00 0.00 175.29 176.70 2x1g s THR 143 N -2.06 4.75 0.46 -0.34 2.01 -1.26 -1.50 115.64 117.70 2x1g s THR 143 Ca 0.47 0.73 0.06 0.00 0.31 0.00 0.00 61.69 63.26 2x1g s THR 143 Cb -0.11 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 2x1g s THR 143 CO 0.27 -0.48 0.22 0.27 -0.69 0.00 0.00 174.62 174.21 2x1g s ILE 144 N -2.33 2.03 -0.18 1.82 -4.36 0.11 -4.62 121.20 113.67 2x1g s ILE 144 Ca 0.52 -1.66 -0.02 0.00 -0.26 0.00 0.00 60.65 59.23 2x1g s ILE 144 Cb -0.10 -2.69 0.06 0.00 1.25 0.00 0.00 42.46 40.97 2x1g s ILE 144 CO 0.29 0.00 0.02 -1.58 0.24 0.00 0.00 174.94 173.91 2x1g s GLN 145 N -4.01 0.75 -0.25 0.37 2.00 0.63 -4.35 119.66 114.80 2x1g s GLN 145 Ca 0.36 -0.40 -0.09 0.00 -2.00 0.00 0.00 55.36 53.22 2x1g s GLN 145 Cb 0.02 -2.01 -0.04 0.00 0.80 0.00 0.00 33.01 31.77 2x1g s GLN 145 CO 0.20 -0.59 0.13 0.08 -0.50 0.00 0.00 175.29 174.61 2x1g s VAL 146 N 1.83 4.97 0.16 1.34 1.01 -1.26 0.38 120.40 128.82 2x1g s VAL 146 Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2x1g s VAL 146 Cb -0.17 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2x1g s VAL 146 CO -0.08 0.33 -0.05 -1.81 0.00 0.00 0.00 175.10 173.49 2x1g s ASP 147 N 1.35 1.51 0.16 3.32 1.01 -1.06 -4.87 116.67 118.10 2x1g s ASP 147 Ca 0.06 -1.08 -0.30 0.00 0.71 0.00 0.00 52.55 51.94 2x1g s ASP 147 Cb -0.15 0.05 -0.08 0.00 1.01 0.00 0.00 42.92 43.75 2x1g s ASP 147 CO 0.06 -0.45 1.32 0.26 0.21 0.00 0.00 175.17 176.57 2x1g s TRP 148 N -3.49 3.28 -0.05 4.23 0.52 -1.26 0.67 118.94 122.84 2x1g s TRP 148 Ca 0.19 1.16 -0.24 0.00 0.02 0.00 0.00 56.10 57.24 2x1g s TRP 148 Cb 0.04 -3.60 -0.18 0.00 -1.15 0.00 0.00 33.47 28.58 2x1g s TRP 148 CO 0.01 -1.93 1.00 0.00 0.02 0.00 0.00 176.95 176.06 2x1g s PHE 150 N -3.61 2.91 0.55 0.00 0.40 -1.26 -4.93 117.98 112.05 2x1g s PHE 150 Ca -0.14 -0.67 0.06 0.00 -0.60 0.00 0.00 56.93 55.58 2x1g s PHE 150 Cb 0.01 -1.96 0.06 0.00 0.51 0.00 0.00 43.02 41.64 2x1g s PHE 150 CO 0.56 -0.28 0.76 0.08 0.70 0.00 0.00 175.22 177.03 2x1g s VAL 151 N 0.73 2.47 -0.49 -0.44 1.01 -1.26 0.86 120.40 123.28 2x1g s VAL 151 Ca -0.04 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.10 2x1g s VAL 151 Cb -0.15 -2.58 0.41 0.00 0.00 0.00 0.00 36.38 34.06 2x1g s VAL 151 CO 0.02 0.00 1.23 2.29 0.00 0.00 0.00 175.10 178.64 2x1g n LYS 152 N -2.24 3.35 0.00 2.72 0.00 0.12 -4.57 118.16 117.54 2x1g n LYS 152 Ca 0.12 -4.37 0.00 0.00 -0.00 0.00 0.00 58.31 54.06 2x1g n LYS 152 Cb 0.60 -2.25 0.00 0.00 -0.00 0.00 0.00 35.03 33.38 2x1g n LYS 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2x1g n GLY 153 N -0.50 3.65 0.78 2.58 0.00 -1.26 -5.01 105.19 105.43 2x1g n GLY 153 Ca 0.41 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.84 2x1g n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77