#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgt n SER 69 N 0.00 -3.21 -4.40 1.61 7.64 -1.26 -4.90 113.62 109.10 2dgt n SER 69 Ca 0.00 -0.51 -0.33 0.00 1.01 0.00 0.00 58.87 59.04 2dgt n SER 69 Cb 0.00 -0.94 0.11 0.00 -1.01 0.00 0.00 64.21 62.37 2dgt n SER 69 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dgt n SER 70 N -3.47 -2.17 0.00 6.43 3.41 -1.26 -5.00 113.62 111.57 2dgt n SER 70 Ca 0.07 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2dgt n SER 70 Cb 0.50 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2dgt n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dgt n GLY 71 N 1.58 1.95 2.98 5.00 0.00 -1.26 -5.17 105.19 110.27 2dgt n GLY 71 Ca 0.07 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 2dgt n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dgt s SER 72 N 2.00 -0.11 -0.21 1.61 0.01 -1.26 -5.14 113.70 110.60 2dgt s SER 72 Ca 0.00 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2dgt s SER 72 Cb 0.00 0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.50 2dgt s SER 72 CO 0.00 -0.04 -0.06 -0.55 0.41 0.00 0.00 173.24 173.00 2dgt s SER 73 N 0.10 3.53 -0.19 2.44 0.15 -1.26 -4.60 113.70 113.87 2dgt s SER 73 Ca -0.00 -1.01 -0.00 0.00 0.70 0.00 0.00 55.95 55.63 2dgt s SER 73 Cb -0.01 -1.11 0.01 0.00 -1.71 0.00 0.00 66.02 63.20 2dgt s SER 73 CO -0.00 -0.21 -0.15 -0.83 1.20 0.00 0.00 173.24 173.25 2dgt s GLY 74 N 1.46 1.46 0.27 9.45 0.00 -1.26 -5.00 107.32 113.70 2dgt s GLY 74 Ca -0.04 -1.18 -0.02 0.00 0.00 0.00 0.00 44.72 43.48 2dgt s GLY 74 CO -0.07 0.29 1.62 0.50 0.00 0.00 0.00 173.10 175.44 2dgt h LYS 75 N 7.91 0.10 -6.44 2.90 1.79 -1.99 -3.42 116.57 117.41 2dgt h LYS 75 Ca -0.43 -0.01 -0.54 0.00 -2.18 0.00 0.00 60.65 57.49 2dgt h LYS 75 Cb 1.15 -0.02 0.22 0.00 -1.58 0.00 0.00 32.23 32.00 2dgt h LYS 75 CO 0.62 0.06 -1.12 0.00 -1.08 0.00 0.00 179.45 177.93 2dgt n ALA 76 N -2.96 -3.79 -1.32 3.86 0.00 -1.26 -4.93 120.51 110.11 2dgt n ALA 76 Ca 0.18 -0.62 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 2dgt n ALA 76 Cb 0.60 -1.52 0.23 0.00 0.00 0.00 0.00 19.45 18.77 2dgt n ALA 76 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dgt s SER 77 N -1.55 1.38 0.13 0.00 0.01 -1.26 -4.79 113.70 107.62 2dgt s SER 77 Ca 0.50 0.47 0.05 0.00 1.31 0.00 0.00 55.95 58.28 2dgt s SER 77 Cb -0.21 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 2dgt s SER 77 CO 0.74 -3.83 -0.12 0.42 0.41 0.00 0.00 173.24 170.86 2dgt s THR 78 N -3.27 1.23 -0.06 1.44 -4.23 0.83 -4.98 115.64 106.59 2dgt s THR 78 Ca 0.73 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 2dgt s THR 78 Cb -0.07 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 72.18 2dgt s THR 78 CO 0.55 -0.54 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.28 2dgt s LYS 79 N -3.04 1.08 -0.14 3.99 2.47 -1.26 -0.08 119.74 122.76 2dgt s LYS 79 Ca 0.11 -0.16 -0.00 0.00 -1.56 0.00 0.00 55.97 54.36 2dgt s LYS 79 Cb -0.02 -1.08 -0.01 0.00 -1.46 0.00 0.00 37.83 35.26 2dgt s LYS 79 CO 0.02 -0.11 -0.14 -0.51 0.16 0.00 0.00 175.35 174.77 2dgt s LEU 80 N 1.10 2.61 -0.10 5.43 1.43 0.21 -0.77 118.68 128.59 2dgt s LEU 80 Ca -0.08 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 2dgt s LEU 80 Cb -0.14 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 2dgt s LEU 80 CO -0.01 0.12 0.22 -2.28 0.23 0.00 0.00 176.35 174.63 2dgt s HIS 81 N 0.60 3.61 0.05 0.29 5.65 0.15 0.02 115.29 125.65 2dgt s HIS 81 Ca -0.08 0.64 0.06 0.00 0.25 0.00 0.00 55.06 55.93 2dgt s HIS 81 Cb -0.16 -2.07 -0.02 0.00 -1.18 0.00 0.00 32.58 29.15 2dgt s HIS 81 CO 0.03 0.66 -0.18 0.08 -0.65 0.00 0.00 174.74 174.68 2dgt s VAL 82 N -0.86 1.44 0.24 0.89 1.01 0.29 -1.33 120.40 122.08 2dgt s VAL 82 Ca 0.17 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 61.03 2dgt s VAL 82 Cb -0.13 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2dgt s VAL 82 CO 0.06 0.08 -0.01 -0.83 0.00 0.00 0.00 175.10 174.41 2dgt s GLY 83 N -1.26 1.62 -1.13 4.51 0.00 -0.59 0.29 107.32 110.76 2dgt s GLY 83 Ca 0.05 -1.80 -0.03 0.00 0.00 0.00 0.00 44.72 42.94 2dgt s GLY 83 CO 0.02 -1.70 0.96 -2.01 0.00 0.00 0.00 173.10 170.37 2dgt n ASN 84 N -0.46 -4.29 -4.90 1.64 5.15 0.64 -2.23 115.26 110.80 2dgt n ASN 84 Ca -0.05 -0.67 -0.28 0.00 -0.60 0.00 0.00 54.58 52.98 2dgt n ASN 84 Cb 0.64 -5.16 0.00 0.00 -0.53 0.00 0.00 39.78 34.74 2dgt n ASN 84 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2dgt s ILE 85 N -3.38 4.78 0.15 -1.44 -1.09 0.33 -4.15 121.20 116.40 2dgt s ILE 85 Ca 0.23 0.30 -0.16 0.00 -2.23 0.00 0.00 60.65 58.79 2dgt s ILE 85 Cb -0.03 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 36.94 2dgt s ILE 85 CO 0.74 -0.87 0.58 -0.55 -1.23 0.00 0.00 174.94 173.60 2dgt s SER 86 N -4.13 6.88 0.00 3.58 0.15 -1.26 -4.71 113.70 114.20 2dgt s SER 86 Ca 0.49 1.15 0.15 0.00 0.70 0.00 0.00 55.95 58.43 2dgt s SER 86 Cb -0.10 -2.31 0.72 0.00 -1.71 0.00 0.00 66.02 62.61 2dgt s SER 86 CO 0.46 0.10 1.41 -0.81 1.20 0.00 0.00 173.24 175.61 2dgt n PRO 87 N 0.86 0.18 0.00 5.44 -0.04 -1.26 -1.97 135.00 138.21 2dgt n PRO 87 Ca -0.05 0.16 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 2dgt n PRO 87 Cb 0.52 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.50 2dgt n PRO 87 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dgt n THR 88 N -1.32 0.00 -2.10 0.52 -2.24 -1.26 -5.03 114.28 102.85 2dgt n THR 88 Ca 0.06 -0.48 -0.36 0.00 -2.27 0.00 0.00 64.05 61.00 2dgt n THR 88 Cb 0.13 1.15 0.02 0.00 -2.10 0.00 0.00 70.33 69.52 2dgt n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dgt s THR 90 N -1.58 1.44 0.16 0.00 -1.32 -1.26 -5.00 115.64 108.08 2dgt s THR 90 Ca 0.72 -2.10 -0.12 0.00 -1.21 0.00 0.00 61.69 58.98 2dgt s THR 90 Cb -0.30 -2.37 0.04 0.00 -1.51 0.00 0.00 72.50 68.36 2dgt s THR 90 CO 0.34 -0.34 1.67 0.78 -2.21 0.00 0.00 174.62 174.86 2dgt h ASN 91 N 2.37 0.83 0.22 8.08 4.21 -1.96 -1.16 115.58 128.17 2dgt h ASN 91 Ca -0.39 -0.24 -0.00 0.00 1.21 0.00 0.00 56.30 56.88 2dgt h ASN 91 Cb 1.23 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 38.21 2dgt h ASN 91 CO 0.66 0.85 -0.00 1.56 -1.29 0.00 0.00 177.43 179.20 2dgt h GLN 92 N 0.77 0.00 0.00 0.81 1.08 -1.98 0.25 115.11 116.03 2dgt h GLN 92 Ca 0.17 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 2dgt h GLN 92 Cb 0.35 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2dgt h GLN 92 CO 0.00 0.00 -0.56 0.93 -0.95 0.00 0.00 178.83 178.26 2dgt h GLU 93 N 0.00 0.00 0.47 1.46 4.39 -1.80 -3.27 114.58 115.82 2dgt h GLU 93 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2dgt h GLU 93 Cb 0.12 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2dgt h GLU 93 CO 0.00 0.23 -0.27 1.25 -1.16 0.00 0.00 179.01 179.06 2dgt h LEU 94 N -1.00 -0.68 -0.03 1.33 5.85 -1.14 -2.39 115.31 117.25 2dgt h LEU 94 Ca -0.07 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2dgt h LEU 94 Cb 0.61 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2dgt h LEU 94 CO -0.04 -0.44 -0.15 -0.09 -0.34 0.00 0.00 178.44 177.38 2dgt h ARG 95 N -0.70 -0.16 -0.97 1.25 2.43 -1.17 -1.71 114.38 113.35 2dgt h ARG 95 Ca -0.05 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.29 2dgt h ARG 95 Cb 0.57 0.04 -0.16 0.00 -0.42 0.00 0.00 29.97 29.99 2dgt h ARG 95 CO 0.06 -0.11 -0.33 0.00 -1.51 0.00 0.00 179.97 178.08 2dgt n ALA 96 N -2.68 -0.01 -0.35 2.80 0.00 -1.23 0.14 120.51 119.18 2dgt n ALA 96 Ca -0.02 1.00 0.12 0.00 0.00 0.00 0.00 53.44 54.54 2dgt n ALA 96 Cb 0.11 -0.50 0.31 0.00 0.00 0.00 0.00 19.45 19.37 2dgt n ALA 96 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dgt h LYS 97 N 0.00 0.75 0.00 0.00 3.64 -0.87 0.13 116.57 120.23 2dgt h LYS 97 Ca 0.38 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.56 2dgt h LYS 97 Cb 0.62 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2dgt h LYS 97 CO -0.97 0.50 -0.74 0.74 -2.27 0.00 0.00 179.45 176.70 2dgt h PHE 98 N 0.78 0.00 0.00 1.91 0.04 0.21 -3.17 116.94 116.70 2dgt h PHE 98 Ca 0.57 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.34 2dgt h PHE 98 Cb 0.85 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.00 2dgt h PHE 98 CO -0.01 0.74 0.00 0.93 -0.60 0.00 0.00 178.31 179.37 2dgt h GLU 99 N 0.00 0.00 -0.12 1.51 5.08 0.28 -2.40 114.58 118.94 2dgt h GLU 99 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2dgt h GLU 99 Cb 1.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2dgt h GLU 99 CO 0.10 0.00 -0.07 0.93 -1.00 0.00 0.00 179.01 178.97 2dgt h GLU 100 N 0.00 0.17 0.00 2.33 4.39 -1.40 -3.16 114.58 116.91 2dgt h GLU 100 Ca 0.00 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2dgt h GLU 100 Cb 0.25 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2dgt h GLU 100 CO 0.00 0.26 -0.59 1.88 -1.16 0.00 0.00 179.01 179.40 2dgt h TYR 101 N 0.17 0.00 -3.63 4.33 -1.99 -1.65 -3.50 116.97 110.70 2dgt h TYR 101 Ca 0.04 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.68 2dgt h TYR 101 Cb 0.24 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 38.89 2dgt h TYR 101 CO 0.00 1.05 -0.07 0.20 -0.00 0.00 0.00 178.16 179.34 2dgt s GLY 102 N -4.44 0.66 -0.88 3.88 0.00 -1.19 -4.86 107.32 100.48 2dgt s GLY 102 Ca -0.21 -0.95 -0.25 0.00 0.00 0.00 0.00 44.72 43.31 2dgt s GLY 102 CO 0.55 -0.63 1.94 2.56 0.00 0.00 0.00 173.10 177.52 2dgt s PRO 103 N -3.66 2.55 0.67 2.90 0.04 -1.26 -4.08 135.00 132.16 2dgt s PRO 103 Ca 0.23 -0.23 -0.17 0.00 0.04 0.00 0.00 61.00 60.87 2dgt s PRO 103 Cb -0.01 -5.02 -0.05 0.00 0.04 0.00 0.00 34.50 29.46 2dgt s PRO 103 CO 0.11 -3.34 0.62 0.28 0.04 0.00 0.00 177.00 174.71 2dgt n VAL 104 N 7.84 2.22 -0.12 -0.36 0.31 -1.26 -4.17 118.33 122.80 2dgt n VAL 104 Ca 0.39 -0.43 -0.23 0.00 -0.01 0.00 0.00 64.34 64.06 2dgt n VAL 104 Cb 0.47 -0.81 -0.08 0.00 -0.91 0.00 0.00 33.84 32.52 2dgt n VAL 104 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2dgt n ILE 105 N -2.17 1.43 -3.64 2.52 5.41 0.56 -4.90 119.36 118.58 2dgt n ILE 105 Ca 0.11 -0.24 -0.01 0.00 1.00 0.00 0.00 62.75 63.61 2dgt n ILE 105 Cb 0.49 -1.95 -0.04 0.00 -0.71 0.00 0.00 39.64 37.43 2dgt n ILE 105 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2dgt s GLU 106 N -2.56 0.57 -0.04 0.38 2.02 -1.11 -5.02 118.70 112.94 2dgt s GLU 106 Ca -0.34 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.06 2dgt s GLU 106 Cb 0.12 0.81 -0.03 0.00 0.10 0.00 0.00 34.13 35.12 2dgt s GLU 106 CO 0.44 -0.19 -0.02 0.00 0.02 0.00 0.00 175.26 175.51 2dgt s ASP 108 N -1.17 0.41 0.33 0.00 1.01 -0.17 -5.01 116.67 112.07 2dgt s ASP 108 Ca 0.16 0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.45 2dgt s ASP 108 Cb -0.11 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.68 2dgt s ASP 108 CO 0.06 -0.17 0.56 -0.63 0.21 0.00 0.00 175.17 175.20 2dgt s ILE 109 N 1.41 5.06 0.25 0.77 1.01 -1.26 -0.44 121.20 128.01 2dgt s ILE 109 Ca -0.05 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2dgt s ILE 109 Cb -0.13 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2dgt s ILE 109 CO -0.03 -0.48 0.20 -0.69 0.00 0.00 0.00 174.94 173.95 2dgt s VAL 110 N -2.24 0.00 0.00 2.92 1.01 0.30 -4.91 120.40 117.48 2dgt s VAL 110 Ca 0.42 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.42 2dgt s VAL 110 Cb -0.10 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2dgt s VAL 110 CO 0.34 0.00 0.54 0.29 0.00 0.00 0.00 175.10 176.27 2dgt n LYS 111 N -0.41 0.00 0.00 2.72 5.02 -1.26 -3.37 118.16 120.85 2dgt n LYS 111 Ca 0.04 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2dgt n LYS 111 Cb 0.64 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 2dgt n LYS 111 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dgt n ASP 112 N -1.74 1.91 -4.09 4.39 9.92 -1.26 -4.68 116.55 121.00 2dgt n ASP 112 Ca 0.00 -1.95 -0.19 0.00 -0.53 0.00 0.00 54.79 52.12 2dgt n ASP 112 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 2dgt n ASP 112 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2dgt s TYR 113 N -0.95 1.64 0.28 1.24 1.13 -1.22 0.23 117.35 119.71 2dgt s TYR 113 Ca 0.00 -1.30 -0.14 0.00 -1.41 0.00 0.00 57.07 54.23 2dgt s TYR 113 Cb 0.00 -0.93 0.01 0.00 -1.10 0.00 0.00 41.96 39.93 2dgt s TYR 113 CO 0.00 -0.42 0.56 0.00 -2.51 0.00 0.00 175.55 173.18 2dgt s ALA 114 N -3.56 -0.38 -0.16 9.51 0.00 0.14 0.11 121.76 127.42 2dgt s ALA 114 Ca 0.35 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 2dgt s ALA 114 Cb 0.05 0.99 0.08 0.00 0.00 0.00 0.00 23.12 24.25 2dgt s ALA 114 CO 0.16 -0.90 0.26 -0.06 0.00 0.00 0.00 175.76 175.22 2dgt s PHE 115 N -3.70 -0.41 -0.36 0.00 0.40 0.42 -0.55 117.98 113.78 2dgt s PHE 115 Ca 0.20 0.69 -0.08 0.00 -0.60 0.00 0.00 56.93 57.14 2dgt s PHE 115 Cb -0.02 -0.15 0.04 0.00 0.51 0.00 0.00 43.02 43.40 2dgt s PHE 115 CO 0.10 -0.47 0.15 0.08 0.70 0.00 0.00 175.22 175.77 2dgt s VAL 116 N 2.40 4.04 -0.55 -0.44 1.01 0.10 -1.00 120.40 125.97 2dgt s VAL 116 Ca 0.04 -1.08 -0.27 0.00 0.00 0.00 0.00 61.98 60.68 2dgt s VAL 116 Cb -0.14 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.98 2dgt s VAL 116 CO -0.10 -0.22 1.10 -2.28 0.00 0.00 0.00 175.10 173.60 2dgt s HIS 117 N 1.45 2.71 0.45 5.22 2.46 -0.11 -0.62 115.29 126.85 2dgt s HIS 117 Ca -0.00 0.36 -0.02 0.00 0.47 0.00 0.00 55.06 55.87 2dgt s HIS 117 Cb -0.20 -4.35 -0.02 0.00 -0.13 0.00 0.00 32.58 27.89 2dgt s HIS 117 CO 0.04 -1.44 0.70 -1.64 -2.47 0.00 0.00 174.74 169.93 2dgt s MET 118 N 4.54 3.24 -0.17 2.88 -1.94 0.88 -0.32 119.30 128.40 2dgt s MET 118 Ca 0.40 -0.24 -0.14 0.00 -1.71 0.00 0.00 55.69 54.00 2dgt s MET 118 Cb -0.09 -2.50 -0.08 0.00 2.01 0.00 0.00 34.83 34.17 2dgt s MET 118 CO 0.25 -0.22 -0.09 -1.91 -0.01 0.00 0.00 175.02 173.04 2dgt n GLU 119 N -2.12 0.50 -3.83 2.03 4.07 -1.26 -0.12 120.64 119.91 2dgt n GLU 119 Ca 0.00 0.50 -0.21 0.00 -0.06 0.00 0.00 57.16 57.40 2dgt n GLU 119 Cb 0.57 -1.68 -0.02 0.00 -0.06 0.00 0.00 31.44 30.25 2dgt n GLU 119 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2dgt s ARG 120 N -2.35 3.22 -0.11 5.31 0.52 -1.26 -4.00 118.95 120.29 2dgt s ARG 120 Ca -0.21 -0.92 -0.24 0.00 -0.52 0.00 0.00 55.73 53.84 2dgt s ARG 120 Cb 0.04 -2.79 -0.21 0.00 0.52 0.00 0.00 34.95 32.51 2dgt s ARG 120 CO 0.36 0.29 0.75 0.00 0.02 0.00 0.00 175.30 176.72 2dgt h ALA 121 N 1.14 -0.03 -0.89 2.13 0.00 -1.87 -2.65 119.26 117.10 2dgt h ALA 121 Ca -0.49 -0.37 0.26 0.00 0.00 0.00 0.00 54.91 54.31 2dgt h ALA 121 Cb 1.24 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2dgt h ALA 121 CO 0.58 -0.07 0.84 0.93 0.00 0.00 0.00 179.25 181.53 2dgt h GLU 122 N -0.91 0.00 0.15 0.00 5.08 -1.97 0.43 114.58 117.36 2dgt h GLU 122 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2dgt h GLU 122 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2dgt h GLU 122 CO 0.00 0.00 -1.76 -0.44 -1.00 0.00 0.00 179.01 175.81 2dgt h ASP 123 N 0.00 0.49 0.20 1.42 3.32 -1.89 -3.22 116.42 116.74 2dgt h ASP 123 Ca 0.42 -0.92 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 2dgt h ASP 123 Cb 2.10 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.49 2dgt h ASP 123 CO -0.00 1.78 -0.09 0.00 -1.72 0.00 0.00 179.24 179.20 2dgt h ALA 124 N 0.05 -0.26 -0.46 3.45 0.00 0.06 0.35 119.26 122.44 2dgt h ALA 124 Ca -0.37 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.44 2dgt h ALA 124 Cb 1.99 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.83 2dgt h ALA 124 CO 0.11 -0.50 0.14 0.28 0.00 0.00 0.00 179.25 179.28 2dgt h VAL 125 N -0.56 0.81 0.12 0.00 2.07 -0.75 -2.69 116.25 115.23 2dgt h VAL 125 Ca -0.03 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2dgt h VAL 125 Cb 0.42 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2dgt h VAL 125 CO 0.04 0.05 -0.06 -0.33 0.02 0.00 0.00 177.57 177.30 2dgt h GLU 126 N 0.29 -0.15 -1.46 1.57 4.39 -1.56 -2.65 114.58 115.01 2dgt h GLU 126 Ca 0.22 0.01 0.42 0.00 0.34 0.00 0.00 59.36 60.36 2dgt h GLU 126 Cb 0.25 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 2dgt h GLU 126 CO -0.25 0.09 1.16 0.00 -1.16 0.00 0.00 179.01 178.84 2dgt h ALA 127 N 0.47 3.37 0.00 3.43 0.00 -0.60 -0.16 119.26 125.77 2dgt h ALA 127 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dgt h ALA 127 Cb 0.31 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2dgt h ALA 127 CO 0.03 -1.91 -0.04 0.82 0.00 0.00 0.00 179.25 178.15 2dgt h ILE 128 N 0.00 0.00 0.00 0.00 2.04 -1.23 -0.82 117.51 117.50 2dgt h ILE 128 Ca 0.69 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2dgt h ILE 128 Cb 3.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 2dgt h ILE 128 CO -0.01 0.00 0.44 -0.09 0.00 0.00 0.00 178.15 178.49 2dgt h ARG 129 N -0.84 0.00 0.01 2.37 2.43 -0.89 2.21 114.38 119.67 2dgt h ARG 129 Ca 0.00 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.76 2dgt h ARG 129 Cb 0.04 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.52 2dgt h ARG 129 CO 0.00 0.00 -2.46 0.41 -1.51 0.00 0.00 179.97 176.41 2dgt n GLY 130 N -1.28 -0.41 0.86 2.80 0.00 -0.21 -4.42 105.19 102.52 2dgt n GLY 130 Ca -0.01 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2dgt n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dgt n LEU 131 N -3.64 2.55 -4.65 0.99 4.77 -0.26 -4.85 117.00 111.91 2dgt n LEU 131 Ca -0.48 -1.12 -0.43 0.00 -0.03 0.00 0.00 56.01 53.95 2dgt n LEU 131 Cb 0.95 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 2dgt n LEU 131 CO 0.19 0.56 1.15 1.51 -1.33 0.00 0.00 177.39 179.47 2dgt s ASP 132 N -1.43 6.83 -1.01 -1.43 -4.77 0.73 -3.33 116.67 112.26 2dgt s ASP 132 Ca 0.35 1.69 -0.01 0.00 -3.30 0.00 0.00 52.55 51.28 2dgt s ASP 132 Cb 0.19 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.49 2dgt s ASP 132 CO 0.28 -0.87 0.84 0.59 0.70 0.00 0.00 175.17 176.71 2dgt n ASN 133 N 6.96 -2.29 -4.28 2.11 3.02 -0.93 -4.95 115.26 114.90 2dgt n ASN 133 Ca 0.15 -0.51 -0.35 0.00 -0.03 0.00 0.00 54.58 53.84 2dgt n ASN 133 Cb 0.45 -4.34 -0.14 0.00 -0.61 0.00 0.00 39.78 35.14 2dgt n ASN 133 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2dgt s THR 134 N -3.30 3.15 -0.58 3.41 -4.23 -1.21 -4.89 115.64 107.99 2dgt s THR 134 Ca 0.04 -0.57 -0.32 0.00 -1.18 0.00 0.00 61.69 59.65 2dgt s THR 134 Cb -0.02 -2.41 -0.14 0.00 1.34 0.00 0.00 72.50 71.27 2dgt s THR 134 CO 0.61 0.45 2.39 1.21 -0.54 0.00 0.00 174.62 178.73 2dgt n GLU 135 N 4.72 0.69 -3.77 3.99 2.13 -1.26 -3.24 120.64 123.90 2dgt n GLU 135 Ca -0.19 0.11 -0.36 0.00 0.66 0.00 0.00 57.16 57.38 2dgt n GLU 135 Cb 0.51 -2.37 -0.12 0.00 0.27 0.00 0.00 31.44 29.72 2dgt n GLU 135 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2dgt s PHE 136 N 8.95 3.12 -1.21 4.31 2.19 0.11 -4.45 117.98 131.00 2dgt s PHE 136 Ca 1.15 -0.29 0.00 0.00 0.33 0.00 0.00 56.93 58.12 2dgt s PHE 136 Cb -0.84 -2.24 0.00 0.00 -1.31 0.00 0.00 43.02 38.63 2dgt s PHE 136 CO 0.44 -0.27 0.00 1.04 1.83 0.00 0.00 175.22 178.26 2dgt n GLN 137 N 4.78 -1.78 0.00 10.12 1.13 -1.26 -0.81 117.38 129.57 2dgt n GLN 137 Ca -0.16 0.68 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 2dgt n GLN 137 Cb 0.52 -5.12 0.00 0.00 0.11 0.00 0.00 30.24 25.75 2dgt n GLN 137 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dgt n GLY 138 N -0.55 3.12 3.75 1.08 0.00 -1.26 -5.00 105.19 106.33 2dgt n GLY 138 Ca -0.14 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 2dgt n GLY 138 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dgt s LYS 139 N 0.00 3.96 0.24 1.61 -2.85 0.01 -4.92 119.74 117.79 2dgt s LYS 139 Ca 0.00 -0.22 -0.30 0.00 -1.00 0.00 0.00 55.97 54.45 2dgt s LYS 139 Cb 0.00 -3.32 -0.09 0.00 -2.06 0.00 0.00 37.83 32.36 2dgt s LYS 139 CO 0.00 0.41 1.11 0.50 0.10 0.00 0.00 175.35 177.48 2dgt s ARG 140 N 0.02 4.61 0.11 1.78 3.52 -1.26 0.07 118.95 127.80 2dgt s ARG 140 Ca 0.09 1.79 0.08 0.00 -0.13 0.00 0.00 55.73 57.57 2dgt s ARG 140 Cb -0.11 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 2dgt s ARG 140 CO -0.00 0.13 -0.16 0.00 -0.81 0.00 0.00 175.30 174.46 2dgt s MET 141 N -1.00 1.88 -0.29 5.12 0.23 -1.20 -4.73 119.30 119.31 2dgt s MET 141 Ca 0.47 -1.14 -0.12 0.00 -1.03 0.00 0.00 55.69 53.87 2dgt s MET 141 Cb -0.31 -2.16 -0.04 0.00 -1.53 0.00 0.00 34.83 30.78 2dgt s MET 141 CO 0.39 0.49 0.25 -1.01 -2.03 0.00 0.00 175.02 173.11 2dgt s HIS 142 N -1.16 3.23 -0.16 3.16 0.09 -0.95 -2.19 115.29 117.31 2dgt s HIS 142 Ca 0.19 0.15 -0.05 0.00 -0.00 0.00 0.00 55.06 55.35 2dgt s HIS 142 Cb -0.11 -2.45 -0.03 0.00 -0.00 0.00 0.00 32.58 29.99 2dgt s HIS 142 CO 0.11 -0.21 -0.01 0.08 -0.00 0.00 0.00 174.74 174.71 2dgt s VAL 143 N 1.85 4.17 0.27 -0.90 1.01 -1.26 -1.55 120.40 123.99 2dgt s VAL 143 Ca 0.09 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 2dgt s VAL 143 Cb -0.16 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.39 2dgt s VAL 143 CO 0.11 0.49 0.68 0.00 0.00 0.00 0.00 175.10 176.38 2dgt s GLN 144 N 0.32 1.73 0.41 2.72 -2.07 -0.44 -4.74 119.66 117.60 2dgt s GLN 144 Ca -0.02 -1.00 -0.27 0.00 -1.82 0.00 0.00 55.36 52.25 2dgt s GLN 144 Cb -0.14 0.59 -0.10 0.00 -1.09 0.00 0.00 33.01 32.28 2dgt s GLN 144 CO 0.02 -0.78 1.47 -0.51 -1.32 0.00 0.00 175.29 174.16 2dgt s LEU 145 N -2.93 4.22 0.35 2.60 1.43 -1.26 0.31 118.68 123.40 2dgt s LEU 145 Ca 0.12 3.01 -0.21 0.00 -1.03 0.00 0.00 54.13 56.02 2dgt s LEU 145 Cb -0.05 -3.79 -0.10 0.00 0.03 0.00 0.00 46.19 42.28 2dgt s LEU 145 CO 0.06 -1.03 0.87 -0.44 0.23 0.00 0.00 176.35 176.04 2dgt s SER 146 N -0.30 7.01 0.13 2.29 0.01 0.05 -4.50 113.70 118.40 2dgt s SER 146 Ca 0.57 1.59 0.09 0.00 1.31 0.00 0.00 55.95 59.51 2dgt s SER 146 Cb -0.46 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.24 2dgt s SER 146 CO 0.61 -0.20 -0.21 0.28 0.41 0.00 0.00 173.24 174.12 2dgt s THR 147 N -1.91 1.89 0.03 1.44 -1.32 -1.26 -4.93 115.64 109.57 2dgt s THR 147 Ca 0.55 -1.73 -0.02 0.00 -1.21 0.00 0.00 61.69 59.28 2dgt s THR 147 Cb -0.13 -1.76 -0.02 0.00 -1.51 0.00 0.00 72.50 69.09 2dgt s THR 147 CO 0.18 -0.12 0.01 -0.94 -2.21 0.00 0.00 174.62 171.54 2dgt s SER 148 N -2.22 0.26 -0.34 8.08 1.04 -1.26 -5.13 113.70 114.12 2dgt s SER 148 Ca 0.12 -0.59 -0.11 0.00 0.48 0.00 0.00 55.95 55.84 2dgt s SER 148 Cb -0.09 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2dgt s SER 148 CO 0.06 -0.42 0.20 -0.13 0.98 0.00 0.00 173.24 173.93 2dgt s ARG 149 N -2.25 3.22 -0.21 4.02 0.52 -1.26 -4.94 118.95 118.04 2dgt s ARG 149 Ca -0.08 -0.82 -0.15 0.00 -0.52 0.00 0.00 55.73 54.16 2dgt s ARG 149 Cb -0.04 -3.71 -0.08 0.00 0.52 0.00 0.00 34.95 31.63 2dgt s ARG 149 CO -0.04 -0.53 -0.33 -0.11 0.02 0.00 0.00 175.30 174.32 2dgt n LEU 150 N 5.04 1.85 -4.05 2.53 0.00 -1.26 -4.94 117.00 116.16 2dgt n LEU 150 Ca -0.13 0.32 -0.32 0.00 0.00 0.00 0.00 56.01 55.88 2dgt n LEU 150 Cb 0.48 -0.74 -0.15 0.00 0.00 0.00 0.00 43.42 43.01 2dgt n LEU 150 CO 0.36 0.13 -0.47 -0.60 0.00 0.00 0.00 177.39 176.81 2dgt s ARG 151 N -2.65 2.30 0.00 1.96 6.06 -1.26 -4.92 118.95 120.45 2dgt s ARG 151 Ca -0.32 -1.09 0.00 0.00 -2.50 0.00 0.00 55.73 51.82 2dgt s ARG 151 Cb 0.09 -2.69 0.00 0.00 0.06 0.00 0.00 34.95 32.41 2dgt s ARG 151 CO 0.43 -0.46 0.00 -2.37 -2.50 0.00 0.00 175.30 170.39 2dgt n THR 152 N 4.55 0.00 -0.22 4.11 5.66 -1.26 -4.86 114.28 122.26 2dgt n THR 152 Ca -0.15 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.73 2dgt n THR 152 Cb 0.45 -0.45 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 2dgt n THR 152 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dgt h ALA 153 N 0.00 -0.55 -6.73 1.79 0.00 -2.02 -3.44 119.26 108.31 2dgt h ALA 153 Ca 0.00 0.07 -0.55 0.00 0.00 0.00 0.00 54.91 54.43 2dgt h ALA 153 Cb 0.47 1.11 -0.30 0.00 0.00 0.00 0.00 17.79 19.07 2dgt h ALA 153 CO 0.00 -0.95 -0.81 -1.13 0.00 0.00 0.00 179.25 176.36 2dgt n SER 154 N -5.37 -1.01 -3.62 0.00 3.41 -1.26 -4.84 113.62 100.93 2dgt n SER 154 Ca -0.00 -1.10 -0.07 0.00 -0.26 0.00 0.00 58.87 57.43 2dgt n SER 154 Cb 0.33 -1.40 -0.06 0.00 -0.26 0.00 0.00 64.21 62.82 2dgt n SER 154 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dgt s GLY 155 N -3.28 -0.05 0.43 5.00 0.00 -1.26 -5.16 107.32 103.01 2dgt s GLY 155 Ca 0.56 2.64 -0.24 0.00 0.00 0.00 0.00 44.72 47.67 2dgt s GLY 155 CO 0.90 1.41 1.18 2.56 0.00 0.00 0.00 173.10 179.15 2dgt s PRO 156 N -0.55 3.89 -1.04 2.90 0.04 -1.26 -4.95 135.00 134.02 2dgt s PRO 156 Ca 0.03 1.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 2dgt s PRO 156 Cb -0.03 -2.54 0.10 0.00 0.04 0.00 0.00 34.50 32.07 2dgt s PRO 156 CO -0.06 -0.45 1.36 0.45 0.04 0.00 0.00 177.00 178.34 2dgt s SER 157 N -1.22 6.66 -1.83 6.66 0.15 -1.26 -4.44 113.70 118.43 2dgt s SER 157 Ca 0.60 -2.00 -0.20 0.00 0.70 0.00 0.00 55.95 55.05 2dgt s SER 157 Cb -0.30 -2.48 0.20 0.00 -1.71 0.00 0.00 66.02 61.73 2dgt s SER 157 CO 0.37 -1.20 0.51 -1.54 1.20 0.00 0.00 173.24 172.58 2dgt n SER 158 N 7.50 -1.40 0.00 5.45 3.41 -1.26 -5.34 113.62 121.99 2dgt n SER 158 Ca 0.32 -1.25 0.16 0.00 -0.26 0.00 0.00 58.87 57.84 2dgt n SER 158 Cb 0.49 -1.59 0.93 0.00 -0.26 0.00 0.00 64.21 63.78 2dgt n SER 158 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49