#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgt s SER 69 N 0.00 1.58 -0.19 1.61 0.15 -1.26 -5.04 113.70 110.54 2dgt s SER 69 Ca 0.00 -0.25 -0.15 0.00 0.70 0.00 0.00 55.95 56.25 2dgt s SER 69 Cb 0.00 -0.71 -0.08 0.00 -1.71 0.00 0.00 66.02 63.52 2dgt s SER 69 CO 0.00 -0.01 -0.25 -1.54 1.20 0.00 0.00 173.24 172.63 2dgt n SER 70 N 4.03 1.90 -4.42 5.45 3.41 -1.26 -4.98 113.62 117.76 2dgt n SER 70 Ca -0.22 0.42 -0.45 0.00 -0.26 0.00 0.00 58.87 58.36 2dgt n SER 70 Cb 0.51 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.45 -1.69 3.21 5.00 0.00 -1.26 -4.98 105.19 106.92 2dgt n GLY 71 Ca -0.22 0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 2dgt n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dgt s SER 72 N -0.92 -0.45 1.31 1.61 0.15 -1.26 -5.16 113.70 108.98 2dgt s SER 72 Ca 0.62 0.86 -0.19 0.00 0.70 0.00 0.00 55.95 57.95 2dgt s SER 72 Cb -0.77 1.58 0.32 0.00 -1.71 0.00 0.00 66.02 65.43 2dgt s SER 72 CO 0.58 -0.25 0.81 -0.24 1.20 0.00 0.00 173.24 175.34 2dgt n SER 73 N 5.40 -3.08 -4.69 5.45 2.88 -1.26 -4.97 113.62 113.35 2dgt n SER 73 Ca -0.07 -0.52 -0.30 0.00 -1.33 0.00 0.00 58.87 56.65 2dgt n SER 73 Cb 0.50 -1.07 0.15 0.00 -0.75 0.00 0.00 64.21 63.03 2dgt n SER 73 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dgt s GLY 74 N -2.62 1.62 -0.32 0.46 0.00 -1.26 -4.99 107.32 100.22 2dgt s GLY 74 Ca 0.64 0.04 0.11 0.00 0.00 0.00 0.00 44.72 45.51 2dgt s GLY 74 CO 0.59 0.54 1.14 0.28 0.00 0.00 0.00 173.10 175.65 2dgt n LYS 75 N -4.01 3.02 -0.25 2.90 4.01 -1.26 -4.90 118.16 117.67 2dgt n LYS 75 Ca 0.07 -4.04 -0.06 0.00 -0.51 0.00 0.00 58.31 53.77 2dgt n LYS 75 Cb 0.54 -2.06 -0.01 0.00 -0.51 0.00 0.00 35.03 32.99 2dgt n LYS 75 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dgt h ALA 76 N 2.41 -0.16 -2.04 7.82 0.00 -1.97 -3.41 119.26 121.90 2dgt h ALA 76 Ca 0.22 0.16 -0.40 0.00 0.00 0.00 0.00 54.91 54.88 2dgt h ALA 76 Cb 1.33 0.94 0.22 0.00 0.00 0.00 0.00 17.79 20.28 2dgt h ALA 76 CO 0.64 -0.75 -0.09 -1.54 0.00 0.00 0.00 179.25 177.51 2dgt s SER 77 N -5.22 -0.41 0.07 0.00 1.04 -1.26 -4.82 113.70 103.10 2dgt s SER 77 Ca -0.14 1.16 0.05 0.00 0.48 0.00 0.00 55.95 57.51 2dgt s SER 77 Cb 0.15 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 64.50 2dgt s SER 77 CO 0.68 -5.01 -0.15 0.42 0.98 0.00 0.00 173.24 170.16 2dgt s THR 78 N -2.29 1.16 -0.02 2.02 -4.23 -0.97 -4.98 115.64 106.32 2dgt s THR 78 Ca 0.69 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.91 2dgt s THR 78 Cb -0.19 -1.11 -0.00 0.00 1.34 0.00 0.00 72.50 72.54 2dgt s THR 78 CO 0.62 -0.21 -0.11 -0.75 -0.54 0.00 0.00 174.62 173.63 2dgt s LYS 79 N -1.74 1.06 -0.16 3.99 2.20 -1.26 -0.36 119.74 123.47 2dgt s LYS 79 Ca -0.01 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.22 2dgt s LYS 79 Cb -0.10 -0.99 0.02 0.00 -1.51 0.00 0.00 37.83 35.25 2dgt s LYS 79 CO 0.02 0.18 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.50 2dgt s LEU 80 N -0.00 1.99 0.03 5.43 1.43 0.32 -1.86 118.68 126.01 2dgt s LEU 80 Ca -0.00 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.35 2dgt s LEU 80 Cb -0.07 -1.37 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 2dgt s LEU 80 CO 0.00 0.01 0.46 -2.28 0.23 0.00 0.00 176.35 174.77 2dgt s HIS 81 N 1.19 3.75 0.13 0.29 5.65 0.14 -0.12 115.29 126.32 2dgt s HIS 81 Ca 0.01 1.08 0.09 0.00 0.25 0.00 0.00 55.06 56.49 2dgt s HIS 81 Cb -0.14 -2.35 -0.04 0.00 -1.18 0.00 0.00 32.58 28.87 2dgt s HIS 81 CO -0.09 0.62 -0.21 0.08 -0.65 0.00 0.00 174.74 174.50 2dgt s VAL 82 N -1.10 1.83 0.12 0.89 1.01 0.89 -1.08 120.40 122.96 2dgt s VAL 82 Ca 0.26 -1.72 0.03 0.00 0.00 0.00 0.00 61.98 60.54 2dgt s VAL 82 Cb -0.17 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2dgt s VAL 82 CO 0.15 -0.14 -0.07 -0.83 0.00 0.00 0.00 175.10 174.21 2dgt s GLY 83 N -2.23 0.91 -1.00 4.51 0.00 -0.37 -0.95 107.32 108.19 2dgt s GLY 83 Ca 0.11 -1.42 -0.03 0.00 0.00 0.00 0.00 44.72 43.39 2dgt s GLY 83 CO 0.06 -1.51 0.85 -2.01 0.00 0.00 0.00 173.10 170.49 2dgt n ASN 84 N -0.11 -4.10 -4.91 1.64 5.15 0.64 -1.67 115.26 111.89 2dgt n ASN 84 Ca -0.11 -0.59 -0.27 0.00 -0.60 0.00 0.00 54.58 53.01 2dgt n ASN 84 Cb 0.61 -4.65 0.01 0.00 -0.53 0.00 0.00 39.78 35.21 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 -3.33 4.54 0.26 -1.44 -1.09 -0.32 -4.05 121.20 115.76 2dgt s ILE 85 Ca 0.21 0.13 -0.14 0.00 -2.23 0.00 0.00 60.65 58.61 2dgt s ILE 85 Cb -0.03 -3.74 -0.08 0.00 -1.58 0.00 0.00 42.46 37.03 2dgt s ILE 85 CO 0.65 -0.73 0.66 -0.55 -1.23 0.00 0.00 174.94 173.75 2dgt s SER 86 N -4.16 6.79 0.52 3.58 0.15 -1.26 -4.67 113.70 114.65 2dgt s SER 86 Ca 0.49 1.19 0.31 0.00 0.70 0.00 0.00 55.95 58.64 2dgt s SER 86 Cb -0.10 -2.33 1.29 0.00 -1.71 0.00 0.00 66.02 63.16 2dgt s SER 86 CO 0.45 -0.09 1.96 1.55 1.20 0.00 0.00 173.24 178.31 2dgt h PRO 87 N 2.68 0.00 -0.01 5.44 0.13 -1.94 -2.68 132.00 135.62 2dgt h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dgt h PRO 87 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2dgt h PRO 87 CO 0.66 0.08 -0.57 0.25 -0.23 0.00 0.00 178.00 178.19 2dgt n THR 88 N -3.23 0.00 -1.61 1.56 -2.24 -1.26 -4.99 114.28 102.51 2dgt n THR 88 Ca 0.00 -0.21 -0.49 0.00 -2.27 0.00 0.00 64.05 61.08 2dgt n THR 88 Cb 0.33 1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.25 5.35 0.58 0.00 -4.23 -1.26 -4.96 115.64 111.38 2dgt s THR 90 Ca 0.77 0.17 0.31 0.00 -1.18 0.00 0.00 61.69 61.77 2dgt s THR 90 Cb -0.83 -3.43 0.45 0.00 1.34 0.00 0.00 72.50 70.02 2dgt s THR 90 CO 0.47 0.46 1.66 -1.13 -0.54 0.00 0.00 174.62 175.54 2dgt h ASN 91 N 6.54 0.00 0.78 3.99 -0.00 -1.97 1.24 115.58 126.16 2dgt h ASN 91 Ca -0.42 0.00 -0.23 0.00 -0.00 0.00 0.00 56.30 55.65 2dgt h ASN 91 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.46 2dgt h ASN 91 CO 0.74 0.00 -1.06 1.56 -0.00 0.00 0.00 177.43 178.68 2dgt h GLN 92 N 0.00 0.14 -0.36 6.67 4.20 -1.97 -2.83 115.11 120.96 2dgt h GLN 92 Ca 0.43 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.85 2dgt h GLN 92 Cb 2.17 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 30.01 2dgt h GLN 92 CO -0.00 1.06 -0.10 0.93 -0.67 0.00 0.00 178.83 180.05 2dgt h GLU 93 N 0.05 0.71 0.61 1.46 4.39 0.12 -2.63 114.58 119.27 2dgt h GLU 93 Ca -0.06 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.33 2dgt h GLU 93 Cb 1.78 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.40 2dgt h GLU 93 CO 0.16 0.87 -0.29 1.25 -1.16 0.00 0.00 179.01 179.83 2dgt h LEU 94 N 0.50 -0.69 -0.95 1.33 5.85 -1.51 -2.74 115.31 117.09 2dgt h LEU 94 Ca 0.09 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.11 2dgt h LEU 94 Cb 0.62 0.18 -0.15 0.00 0.37 0.00 0.00 40.66 41.67 2dgt h LEU 94 CO 0.04 -0.30 0.38 -0.09 -0.34 0.00 0.00 178.44 178.13 2dgt h ARG 95 N -1.19 0.21 -0.39 1.25 2.43 -1.59 0.39 114.38 115.49 2dgt h ARG 95 Ca -0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2dgt h ARG 95 Cb 0.64 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2dgt h ARG 95 CO 0.14 0.14 0.22 0.00 -1.51 0.00 0.00 179.97 178.96 2dgt h ALA 96 N 1.85 0.50 -0.63 2.80 0.00 -1.45 0.66 119.26 122.99 2dgt h ALA 96 Ca 0.66 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.57 2dgt h ALA 96 Cb 1.47 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 2dgt h ALA 96 CO -0.67 0.02 0.42 0.87 0.00 0.00 0.00 179.25 179.89 2dgt h LYS 97 N 0.51 0.56 0.01 0.00 1.79 0.07 -1.57 116.57 117.94 2dgt h LYS 97 Ca 0.14 -0.03 -0.27 0.00 -2.18 0.00 0.00 60.65 58.31 2dgt h LYS 97 Cb 0.04 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.53 2dgt h LYS 97 CO -0.02 0.37 -1.49 0.74 -1.08 0.00 0.00 179.45 177.96 2dgt h PHE 98 N 0.57 0.03 0.00 -1.35 -1.00 -0.85 -3.31 116.94 111.03 2dgt h PHE 98 Ca 0.28 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 61.02 2dgt h PHE 98 Cb 0.36 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 2dgt h PHE 98 CO -0.00 1.04 -0.08 0.93 -1.61 0.00 0.00 178.31 178.58 2dgt h GLU 99 N 0.00 0.00 0.00 1.51 5.08 0.12 -1.98 114.58 119.32 2dgt h GLU 99 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2dgt h GLU 99 Cb 1.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 2dgt h GLU 99 CO 0.10 0.08 0.00 0.93 -1.00 0.00 0.00 179.01 179.12 2dgt h GLU 100 N 0.00 0.00 0.00 2.33 5.08 -1.42 -3.10 114.58 117.47 2dgt h GLU 100 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 2dgt h GLU 100 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2dgt h GLU 100 CO 0.01 0.00 -1.96 0.66 -1.00 0.00 0.00 179.01 176.72 2dgt n TYR 101 N -2.95 0.20 -4.08 4.33 4.02 -0.75 -5.07 117.16 112.85 2dgt n TYR 101 Ca -0.02 0.09 -0.11 0.00 -0.01 0.00 0.00 57.90 57.85 2dgt n TYR 101 Cb 0.12 -0.91 -0.07 0.00 -0.02 0.00 0.00 39.34 38.46 2dgt n TYR 101 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2dgt s GLY 102 N -5.23 1.03 -1.09 2.72 0.00 -1.15 -4.94 107.32 98.65 2dgt s GLY 102 Ca -0.34 -1.27 -0.23 0.00 0.00 0.00 0.00 44.72 42.87 2dgt s GLY 102 CO 0.48 -0.95 1.94 2.56 0.00 0.00 0.00 173.10 177.12 2dgt s PRO 103 N -3.88 2.52 0.51 2.90 0.04 -1.26 -4.09 135.00 131.74 2dgt s PRO 103 Ca 0.29 -0.89 -0.20 0.00 0.04 0.00 0.00 61.00 60.25 2dgt s PRO 103 Cb 0.02 -5.19 -0.11 0.00 0.04 0.00 0.00 34.50 29.27 2dgt s PRO 103 CO 0.12 -3.79 0.48 0.28 0.04 0.00 0.00 177.00 174.13 2dgt n VAL 104 N 7.82 1.87 -0.13 -0.36 0.31 -1.26 -4.28 118.33 122.30 2dgt n VAL 104 Ca 0.43 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 64.01 2dgt n VAL 104 Cb 0.47 -0.58 -0.08 0.00 -0.91 0.00 0.00 33.84 32.73 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 -1.38 1.47 -3.65 2.52 5.41 0.82 -4.92 119.36 119.62 2dgt n ILE 105 Ca 0.11 -0.28 -0.05 0.00 1.00 0.00 0.00 62.75 63.53 2dgt n ILE 105 Cb 0.45 -1.94 -0.06 0.00 -0.71 0.00 0.00 39.64 37.37 2dgt n ILE 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2dgt s GLU 106 N -2.56 0.55 0.11 0.38 -1.05 -1.09 -5.01 118.70 110.04 2dgt s GLU 106 Ca -0.36 1.27 0.11 0.00 -0.15 0.00 0.00 54.97 55.84 2dgt s GLU 106 Cb 0.13 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.29 2dgt s GLU 106 CO 0.46 -0.19 -0.27 0.00 0.95 0.00 0.00 175.26 176.21 2dgt s ASP 108 N -1.84 -0.29 0.16 0.00 1.01 -0.75 -5.00 116.67 109.95 2dgt s ASP 108 Ca 0.13 0.57 0.01 0.00 0.71 0.00 0.00 52.55 53.97 2dgt s ASP 108 Cb -0.10 0.55 -0.04 0.00 1.01 0.00 0.00 42.92 44.35 2dgt s ASP 108 CO 0.05 -0.11 0.32 -0.63 0.21 0.00 0.00 175.17 175.01 2dgt s ILE 109 N 0.34 5.29 0.30 0.77 1.01 -1.26 -1.34 121.20 126.30 2dgt s ILE 109 Ca -0.02 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.11 2dgt s ILE 109 Cb -0.03 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 2dgt s ILE 109 CO -0.01 -0.11 0.14 -0.69 0.00 0.00 0.00 174.94 174.27 2dgt s VAL 110 N -1.78 0.43 0.00 2.92 1.01 0.32 -4.92 120.40 118.38 2dgt s VAL 110 Ca 0.36 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.34 2dgt s VAL 110 Cb -0.11 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2dgt s VAL 110 CO 0.29 0.00 0.75 1.17 0.00 0.00 0.00 175.10 177.31 2dgt n LYS 111 N -0.59 0.00 -0.04 2.72 3.00 -1.26 -3.36 118.16 118.63 2dgt n LYS 111 Ca 0.00 0.75 0.02 0.00 -0.00 0.00 0.00 58.31 59.08 2dgt n LYS 111 Cb 0.65 -1.15 0.02 0.00 0.00 0.00 0.00 35.03 34.56 2dgt n LYS 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2dgt n ASP 112 N -2.59 1.56 -3.78 3.14 9.92 -1.26 -4.64 116.55 118.90 2dgt n ASP 112 Ca 0.00 -1.98 -0.19 0.00 -0.53 0.00 0.00 54.79 52.09 2dgt n ASP 112 Cb 0.00 -0.08 -0.09 0.00 -0.64 0.00 0.00 41.12 40.31 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 -1.05 1.65 0.26 1.24 1.13 -1.21 0.23 117.35 119.59 2dgt s TYR 113 Ca 0.05 -1.48 -0.20 0.00 -1.41 0.00 0.00 57.07 54.03 2dgt s TYR 113 Cb 0.04 -0.82 0.02 0.00 -1.10 0.00 0.00 41.96 40.11 2dgt s TYR 113 CO 0.00 -0.64 0.67 0.00 -2.51 0.00 0.00 175.55 173.08 2dgt s ALA 114 N -3.53 -1.14 -0.16 9.51 0.00 -0.13 0.12 121.76 126.43 2dgt s ALA 114 Ca 0.36 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 2dgt s ALA 114 Cb 0.04 0.88 0.07 0.00 0.00 0.00 0.00 23.12 24.11 2dgt s ALA 114 CO 0.20 -0.98 0.19 -0.06 0.00 0.00 0.00 175.76 175.12 2dgt s PHE 115 N -3.91 -0.21 -0.30 0.00 0.40 -0.45 -0.07 117.98 113.44 2dgt s PHE 115 Ca 0.11 0.35 -0.09 0.00 -0.60 0.00 0.00 56.93 56.70 2dgt s PHE 115 Cb -0.05 -0.34 -0.02 0.00 0.51 0.00 0.00 43.02 43.13 2dgt s PHE 115 CO 0.05 -0.47 0.14 0.08 0.70 0.00 0.00 175.22 175.72 2dgt s VAL 116 N 2.31 4.65 -0.42 -0.44 1.01 0.82 -1.81 120.40 126.51 2dgt s VAL 116 Ca 0.05 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 2dgt s VAL 116 Cb -0.14 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.94 2dgt s VAL 116 CO -0.10 0.14 0.78 -2.28 0.00 0.00 0.00 175.10 173.65 2dgt s HIS 117 N 1.63 3.03 0.40 5.22 2.46 0.13 -0.52 115.29 127.65 2dgt s HIS 117 Ca 0.05 0.28 0.04 0.00 0.47 0.00 0.00 55.06 55.90 2dgt s HIS 117 Cb -0.17 -3.59 -0.00 0.00 -0.13 0.00 0.00 32.58 28.70 2dgt s HIS 117 CO 0.06 -0.91 0.58 -1.64 -2.47 0.00 0.00 174.74 170.36 2dgt s MET 118 N 3.24 3.01 -0.13 2.88 -1.94 0.51 -0.13 119.30 126.74 2dgt s MET 118 Ca 0.30 -0.84 -0.10 0.00 -1.71 0.00 0.00 55.69 53.35 2dgt s MET 118 Cb -0.12 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 33.99 2dgt s MET 118 CO 0.21 -0.16 -0.19 -1.91 -0.01 0.00 0.00 175.02 172.96 2dgt n GLU 119 N -1.88 0.42 -3.98 2.03 2.13 -1.26 -2.29 120.64 115.81 2dgt n GLU 119 Ca 0.02 0.44 -0.33 0.00 0.66 0.00 0.00 57.16 57.96 2dgt n GLU 119 Cb 0.58 -1.55 -0.05 0.00 0.27 0.00 0.00 31.44 30.69 2dgt n GLU 119 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2dgt s ARG 120 N -2.23 3.28 0.06 5.31 1.81 -1.26 -4.18 118.95 121.74 2dgt s ARG 120 Ca -0.16 -0.42 -0.23 0.00 -1.72 0.00 0.00 55.73 53.20 2dgt s ARG 120 Cb 0.02 -2.99 -0.16 0.00 -0.45 0.00 0.00 34.95 31.38 2dgt s ARG 120 CO 0.23 0.65 1.58 0.00 -0.68 0.00 0.00 175.30 177.08 2dgt h ALA 121 N 3.75 0.04 -1.02 2.13 0.00 -1.93 -1.91 119.26 120.32 2dgt h ALA 121 Ca -0.48 -0.09 0.35 0.00 0.00 0.00 0.00 54.91 54.69 2dgt h ALA 121 Cb 1.18 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 2dgt h ALA 121 CO 0.68 -0.37 0.58 0.93 0.00 0.00 0.00 179.25 181.06 2dgt h GLU 122 N -0.12 0.23 0.08 0.00 4.39 -1.99 0.45 114.58 117.61 2dgt h GLU 122 Ca 0.01 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.46 2dgt h GLU 122 Cb 0.17 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2dgt h GLU 122 CO -0.00 0.15 -0.96 -0.44 -1.16 0.00 0.00 179.01 176.60 2dgt h ASP 123 N 0.23 0.71 0.23 1.42 3.32 -1.86 -3.06 116.42 117.41 2dgt h ASP 123 Ca 0.77 -0.82 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2dgt h ASP 123 Cb 1.86 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 41.18 2dgt h ASP 123 CO -0.63 1.45 -0.17 0.00 -1.72 0.00 0.00 179.24 178.17 2dgt h ALA 124 N 0.27 -0.39 -1.00 3.45 0.00 0.53 0.65 119.26 122.77 2dgt h ALA 124 Ca -0.14 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.80 2dgt h ALA 124 Cb 1.67 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.61 2dgt h ALA 124 CO 0.19 -0.73 0.64 0.28 0.00 0.00 0.00 179.25 179.62 2dgt h VAL 125 N -0.41 1.00 0.21 0.00 2.07 -0.73 -2.57 116.25 115.82 2dgt h VAL 125 Ca -0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2dgt h VAL 125 Cb 0.36 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2dgt h VAL 125 CO -0.00 0.20 -0.10 -0.33 0.02 0.00 0.00 177.57 177.35 2dgt h GLU 126 N 1.07 -0.27 -0.90 1.57 5.08 -1.35 -2.65 114.58 117.13 2dgt h GLU 126 Ca 0.47 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 59.11 2dgt h GLU 126 Cb 0.34 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2dgt h GLU 126 CO -0.22 0.05 0.80 0.00 -1.00 0.00 0.00 179.01 178.64 2dgt h ALA 127 N 0.08 2.76 0.04 3.43 0.00 -0.50 -1.71 119.26 123.37 2dgt h ALA 127 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dgt h ALA 127 Cb 0.44 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2dgt h ALA 127 CO 0.05 -1.26 -0.02 0.82 0.00 0.00 0.00 179.25 178.84 2dgt h ILE 128 N 0.00 0.00 -0.31 0.00 2.04 -1.24 0.59 117.51 118.59 2dgt h ILE 128 Ca 0.43 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 66.07 2dgt h ILE 128 Cb 2.02 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2dgt h ILE 128 CO -0.00 0.00 0.84 -0.09 0.00 0.00 0.00 178.15 178.89 2dgt h ARG 129 N -0.36 0.00 0.00 2.37 2.43 -1.07 1.31 114.38 119.06 2dgt h ARG 129 Ca -0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2dgt h ARG 129 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2dgt h ARG 129 CO 0.01 0.00 -1.03 0.41 -1.51 0.00 0.00 179.97 177.85 2dgt n GLY 130 N -1.49 -0.71 0.00 2.80 0.00 -0.70 -4.34 105.19 100.75 2dgt n GLY 130 Ca 0.06 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.49 0.00 -4.65 0.99 4.77 0.20 -4.71 117.00 109.11 2dgt n LEU 131 Ca -0.18 0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.57 2dgt n LEU 131 Cb 0.49 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2dgt n LEU 131 CO 0.15 -0.08 1.30 -0.62 -1.33 0.00 0.00 177.39 176.81 2dgt s ASP 132 N -2.39 6.61 -0.97 -1.43 2.15 0.44 -3.21 116.67 117.88 2dgt s ASP 132 Ca 0.21 1.83 -0.02 0.00 0.43 0.00 0.00 52.55 55.00 2dgt s ASP 132 Cb 0.12 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.19 2dgt s ASP 132 CO 0.26 -1.03 0.82 0.59 -0.17 0.00 0.00 175.17 175.64 2dgt n ASN 133 N 7.56 -3.45 -4.16 -0.34 4.13 -1.10 -4.95 115.26 112.95 2dgt n ASN 133 Ca 0.17 -0.55 -0.32 0.00 1.68 0.00 0.00 54.58 55.56 2dgt n ASN 133 Cb 0.44 -4.43 -0.16 0.00 -1.54 0.00 0.00 39.78 34.09 2dgt n ASN 133 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2dgt s THR 134 N -3.31 2.04 -0.55 3.41 -4.23 -1.20 -4.94 115.64 106.87 2dgt s THR 134 Ca 0.14 -0.97 -0.28 0.00 -1.18 0.00 0.00 61.69 59.40 2dgt s THR 134 Cb -0.02 -1.81 -0.10 0.00 1.34 0.00 0.00 72.50 71.91 2dgt s THR 134 CO 0.62 0.55 2.43 1.21 -0.54 0.00 0.00 174.62 178.88 2dgt n GLU 135 N 4.12 0.92 -3.91 3.99 2.13 -1.26 -3.16 120.64 123.46 2dgt n GLU 135 Ca -0.20 0.08 -0.35 0.00 0.66 0.00 0.00 57.16 57.35 2dgt n GLU 135 Cb 0.51 -2.92 -0.13 0.00 0.27 0.00 0.00 31.44 29.17 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 10.63 3.02 -1.76 4.31 2.19 0.23 -4.49 117.98 132.12 2dgt s PHE 136 Ca 1.07 -0.61 0.00 0.00 0.33 0.00 0.00 56.93 57.72 2dgt s PHE 136 Cb -0.49 -2.14 0.00 0.00 -1.31 0.00 0.00 43.02 39.07 2dgt s PHE 136 CO 0.34 -0.39 0.00 1.04 1.83 0.00 0.00 175.22 178.05 2dgt n GLN 137 N 4.67 -1.65 0.00 10.12 1.13 -1.26 -1.29 117.38 129.10 2dgt n GLN 137 Ca -0.17 0.99 0.00 0.00 -1.94 0.00 0.00 57.00 55.88 2dgt n GLN 137 Cb 0.51 -5.51 0.00 0.00 0.11 0.00 0.00 30.24 25.36 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 -0.69 2.79 3.67 1.08 0.00 -1.26 -4.96 105.19 105.81 2dgt n GLY 138 Ca -0.21 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 3.06 -0.14 1.61 -2.85 -0.41 -4.95 119.74 116.05 2dgt s LYS 139 Ca 0.00 -0.41 -0.27 0.00 -1.00 0.00 0.00 55.97 54.29 2dgt s LYS 139 Cb 0.00 -2.81 -0.01 0.00 -2.06 0.00 0.00 37.83 32.94 2dgt s LYS 139 CO 0.00 0.66 0.89 0.50 0.10 0.00 0.00 175.35 177.49 2dgt s ARG 140 N -0.76 4.35 0.06 1.78 3.52 -1.26 0.76 118.95 127.39 2dgt s ARG 140 Ca 0.12 1.14 0.02 0.00 -0.13 0.00 0.00 55.73 56.87 2dgt s ARG 140 Cb -0.12 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 2dgt s ARG 140 CO 0.02 -0.31 0.12 0.00 -0.81 0.00 0.00 175.30 174.33 2dgt s MET 141 N 2.04 3.09 -0.30 5.12 0.23 -1.19 -4.79 119.30 123.51 2dgt s MET 141 Ca 0.42 -0.58 -0.15 0.00 -1.03 0.00 0.00 55.69 54.34 2dgt s MET 141 Cb -0.17 -2.85 -0.03 0.00 -1.53 0.00 0.00 34.83 30.25 2dgt s MET 141 CO 0.14 0.59 0.39 -1.01 -2.03 0.00 0.00 175.02 173.11 2dgt s HIS 142 N -1.40 3.23 -0.14 3.16 0.09 -0.67 -2.73 115.29 116.83 2dgt s HIS 142 Ca 0.30 0.27 -0.05 0.00 -0.00 0.00 0.00 55.06 55.59 2dgt s HIS 142 Cb -0.12 -2.65 -0.04 0.00 -0.00 0.00 0.00 32.58 29.77 2dgt s HIS 142 CO 0.23 -0.33 0.04 0.08 -0.00 0.00 0.00 174.74 174.76 2dgt s VAL 143 N 2.11 4.63 0.26 -0.90 1.01 -1.26 -1.24 120.40 125.01 2dgt s VAL 143 Ca 0.15 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 2dgt s VAL 143 Cb -0.16 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.25 2dgt s VAL 143 CO 0.11 0.54 0.64 0.00 0.00 0.00 0.00 175.10 176.38 2dgt n GLN 144 N 2.85 0.77 -2.24 2.72 10.64 -0.24 -4.68 117.38 127.21 2dgt n GLN 144 Ca -0.18 -1.55 -0.42 0.00 -1.83 0.00 0.00 57.00 53.02 2dgt n GLN 144 Cb 0.53 1.96 -0.03 0.00 -0.86 0.00 0.00 30.24 31.85 2dgt n GLN 144 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2dgt s LEU 145 N 0.00 4.34 0.06 2.61 2.01 -1.26 0.24 118.68 126.68 2dgt s LEU 145 Ca 0.13 2.16 -0.35 0.00 0.01 0.00 0.00 54.13 56.08 2dgt s LEU 145 Cb -0.03 -3.57 -0.20 0.00 0.01 0.00 0.00 46.19 42.40 2dgt s LEU 145 CO 0.08 -0.67 1.54 -1.28 1.01 0.00 0.00 176.35 177.04 2dgt h SER 146 N 7.40 -0.97 -3.72 2.29 0.87 -1.67 -3.42 113.55 114.34 2dgt h SER 146 Ca -0.40 0.03 -0.51 0.00 -1.23 0.00 0.00 61.79 59.69 2dgt h SER 146 Cb 1.19 0.25 0.01 0.00 -0.44 0.00 0.00 62.40 63.41 2dgt h SER 146 CO 0.88 -0.67 0.47 0.42 -0.53 0.00 0.00 176.83 177.39 2dgt s THR 147 N -5.87 3.66 -0.07 2.23 -4.23 -1.26 -4.90 115.64 105.20 2dgt s THR 147 Ca -0.18 1.58 -0.37 0.00 -1.18 0.00 0.00 61.69 61.53 2dgt s THR 147 Cb 0.02 -4.01 -0.15 0.00 1.34 0.00 0.00 72.50 69.70 2dgt s THR 147 CO 0.59 0.34 1.59 -1.20 -0.54 0.00 0.00 174.62 175.40 2dgt n SER 148 N 1.61 2.32 -4.56 3.99 7.64 -1.26 -4.84 113.62 118.52 2dgt n SER 148 Ca 0.00 1.08 -0.40 0.00 1.01 0.00 0.00 58.87 60.56 2dgt n SER 148 Cb 0.45 -1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.40 2dgt n SER 148 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2dgt s ARG 149 N 2.15 2.94 0.96 1.43 0.52 -1.26 -4.99 118.95 120.71 2dgt s ARG 149 Ca 0.90 0.32 -0.12 0.00 -0.52 0.00 0.00 55.73 56.31 2dgt s ARG 149 Cb -0.94 -4.27 0.17 0.00 0.52 0.00 0.00 34.95 30.43 2dgt s ARG 149 CO 0.54 -2.39 1.09 -0.51 0.02 0.00 0.00 175.30 174.04 2dgt s LEU 150 N 7.41 2.03 -0.14 2.53 1.43 -1.26 -5.00 118.68 125.68 2dgt s LEU 150 Ca 0.54 1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 55.12 2dgt s LEU 150 Cb -0.11 -3.91 -0.11 0.00 0.03 0.00 0.00 46.19 42.09 2dgt s LEU 150 CO 0.20 -3.09 0.22 0.03 0.23 0.00 0.00 176.35 173.94 2dgt h ARG 151 N -1.86 0.00 -7.04 1.70 2.47 -2.05 -3.48 114.38 104.13 2dgt h ARG 151 Ca -0.51 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.60 2dgt h ARG 151 Cb 1.29 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.42 2dgt h ARG 151 CO 0.51 0.46 -0.97 2.41 0.56 0.00 0.00 179.97 182.95 2dgt n THR 152 N -4.64 -1.23 -3.94 2.04 -1.04 -1.26 -4.92 114.28 99.30 2dgt n THR 152 Ca -0.10 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.13 2dgt n THR 152 Cb 0.31 -1.18 -0.03 0.00 -1.82 0.00 0.00 70.33 67.61 2dgt n THR 152 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dgt s ALA 153 N -4.32 3.98 0.12 2.41 0.00 -1.26 -5.03 121.76 117.66 2dgt s ALA 153 Ca 0.02 -0.96 -0.32 0.00 0.00 0.00 0.00 51.96 50.70 2dgt s ALA 153 Cb -0.01 -1.79 -0.18 0.00 0.00 0.00 0.00 23.12 21.13 2dgt s ALA 153 CO 0.99 0.65 0.72 0.43 0.00 0.00 0.00 175.76 178.55 2dgt n SER 154 N -0.24 -0.77 -3.70 0.00 7.64 -1.26 -4.96 113.62 110.33 2dgt n SER 154 Ca -0.06 1.13 -0.12 0.00 1.01 0.00 0.00 58.87 60.82 2dgt n SER 154 Cb 0.53 -0.93 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 2dgt n SER 154 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dgt s GLY 155 N -0.61 1.19 -0.21 0.23 0.00 -1.26 -5.12 107.32 101.54 2dgt s GLY 155 Ca 0.73 -1.36 -0.29 0.00 0.00 0.00 0.00 44.72 43.80 2dgt s GLY 155 CO 0.56 -0.98 1.61 2.56 0.00 0.00 0.00 173.10 176.85 2dgt s PRO 156 N -3.63 3.82 -0.08 2.90 0.04 -1.26 -4.86 135.00 131.94 2dgt s PRO 156 Ca 0.30 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.95 2dgt s PRO 156 Cb 0.01 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 2dgt s PRO 156 CO 0.15 -1.26 -0.17 0.45 0.04 0.00 0.00 177.00 176.22 2dgt n SER 157 N 8.34 1.22 -4.55 6.66 2.88 -1.26 -4.90 113.62 122.01 2dgt n SER 157 Ca 0.19 0.20 -0.38 0.00 -1.33 0.00 0.00 58.87 57.54 2dgt n SER 157 Cb 0.45 -0.46 -0.03 0.00 -0.75 0.00 0.00 64.21 63.42 2dgt n SER 157 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dgt s SER 158 N -6.07 5.78 0.00 -3.46 1.04 -1.26 -5.37 113.70 104.37 2dgt s SER 158 Ca -0.16 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2dgt s SER 158 Cb 0.04 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2dgt s SER 158 CO 0.22 -2.09 0.00 0.61 0.98 0.00 0.00 173.24 172.95