#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x n GLU 71 N 0.00 0.47 0.17 3.17 -0.58 -1.26 -4.91 120.64 117.70 1a6x n GLU 71 Ca 0.00 0.19 -0.14 0.00 -0.42 0.00 0.00 57.16 56.79 1a6x n GLU 71 Cb 0.00 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.11 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6x h ALA 72 N 0.17 -0.45 0.00 0.62 0.00 -2.08 -3.24 119.26 114.29 1a6x h ALA 72 Ca -0.45 -0.17 -0.44 0.00 0.00 0.00 0.00 54.91 53.84 1a6x h ALA 72 Cb 1.40 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.37 1a6x h ALA 72 CO 0.46 -0.61 2.58 -0.35 0.00 0.00 0.00 179.25 181.33 1a6x n PRO 73 N -5.17 2.57 -1.20 0.00 -0.04 -1.26 -4.87 135.00 125.03 1a6x n PRO 73 Ca -0.10 -1.60 0.16 0.00 -0.04 0.00 0.00 63.50 61.92 1a6x n PRO 73 Cb 0.26 -2.48 -0.05 0.00 -0.04 0.00 0.00 33.50 31.20 1a6x n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x n ALA 74 N 3.70 -3.10 -3.15 0.55 0.00 -1.22 -4.95 120.51 112.34 1a6x n ALA 74 Ca 0.55 0.45 0.05 0.00 0.00 0.00 0.00 53.44 54.48 1a6x n ALA 74 Cb 0.26 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x s ALA 75 N -2.38 -3.34 -0.88 0.00 0.00 -1.26 -4.20 121.76 109.69 1a6x s ALA 75 Ca 0.00 1.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.93 1a6x s ALA 75 Cb 0.00 -2.71 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 1a6x s ALA 75 CO 0.00 -1.99 1.68 0.00 0.00 0.00 0.00 175.76 175.45 1a6x s ALA 76 N 2.88 2.23 0.41 0.00 0.00 -1.26 -4.69 121.76 121.32 1a6x s ALA 76 Ca 0.20 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.52 1a6x s ALA 76 Cb -0.05 -4.48 0.00 0.00 0.00 0.00 0.00 23.12 18.59 1a6x s ALA 76 CO -0.24 -4.09 0.00 -1.91 0.00 0.00 0.00 175.76 169.52 1a6x n GLU 77 N 8.98 -3.30 0.05 0.00 4.07 -1.26 -4.95 120.64 124.22 1a6x n GLU 77 Ca 0.31 2.49 0.00 0.00 -0.06 0.00 0.00 57.16 59.89 1a6x n GLU 77 Cb 0.49 -2.88 0.00 0.00 -0.06 0.00 0.00 31.44 28.99 1a6x n GLU 77 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1a6x n ILE 78 N -1.33 0.02 0.00 6.31 -6.64 -1.26 -4.99 119.36 111.48 1a6x n ILE 78 Ca 0.00 0.01 0.00 0.00 -1.77 0.00 0.00 62.75 60.99 1a6x n ILE 78 Cb 0.10 -0.56 0.00 0.00 -1.44 0.00 0.00 39.64 37.75 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 1a6x n SER 79 N -2.85 0.00 -1.35 7.28 3.41 -1.26 -5.13 113.62 113.71 1a6x n SER 79 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a6x n SER 79 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 80 N 0.00 -4.46 3.46 5.00 0.00 0.49 -5.04 105.19 104.64 1a6x n GLY 80 Ca 0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1a6x n GLY 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a6x s HIS 81 N -0.26 2.17 -0.05 1.61 2.46 0.13 -4.92 115.29 116.43 1a6x s HIS 81 Ca 0.00 -0.47 -0.01 0.00 0.47 0.00 0.00 55.06 55.06 1a6x s HIS 81 Cb 0.00 -1.07 0.03 0.00 -0.13 0.00 0.00 32.58 31.41 1a6x s HIS 81 CO 0.00 0.56 0.01 0.42 -2.47 0.00 0.00 174.74 173.26 1a6x s ILE 82 N -2.69 0.24 -0.31 0.89 1.09 -1.26 0.21 121.20 119.37 1a6x s ILE 82 Ca 0.29 0.15 -0.24 0.00 -1.10 0.00 0.00 60.65 59.75 1a6x s ILE 82 Cb -0.01 -0.39 0.00 0.00 -1.06 0.00 0.00 42.46 41.01 1a6x s ILE 82 CO 0.13 0.21 0.81 -0.69 -0.10 0.00 0.00 174.94 175.31 1a6x s VAL 83 N 1.63 4.76 -0.34 2.92 1.01 -0.50 -4.98 120.40 124.90 1a6x s VAL 83 Ca -0.01 1.20 -0.09 0.00 0.00 0.00 0.00 61.98 63.09 1a6x s VAL 83 Cb -0.13 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1a6x s VAL 83 CO -0.03 -0.29 0.15 -0.13 0.00 0.00 0.00 175.10 174.79 1a6x s ARG 84 N 3.04 2.87 -0.93 2.72 0.52 -1.26 0.17 118.95 126.08 1a6x s ARG 84 Ca 0.33 -1.03 -0.27 0.00 -0.52 0.00 0.00 55.73 54.24 1a6x s ARG 84 Cb -0.14 -3.56 -0.21 0.00 0.52 0.00 0.00 34.95 31.55 1a6x s ARG 84 CO 0.13 -0.61 2.48 0.45 0.02 0.00 0.00 175.30 177.78 1a6x n SER 85 N 4.92 0.15 0.00 0.23 2.88 0.93 -4.67 113.62 118.05 1a6x n SER 85 Ca -0.13 0.12 0.12 0.00 -1.33 0.00 0.00 58.87 57.65 1a6x n SER 85 Cb 0.46 -0.83 0.70 0.00 -0.75 0.00 0.00 64.21 63.79 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a6x n PRO 86 N 7.74 0.75 -3.52 -1.46 -0.04 -1.26 -3.88 135.00 133.33 1a6x n PRO 86 Ca 0.62 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.97 1a6x n PRO 86 Cb 0.04 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 31.90 1a6x n PRO 86 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1a6x s MET 87 N -2.00 0.28 0.36 0.54 -1.94 -1.26 -5.00 119.30 110.28 1a6x s MET 87 Ca 0.35 0.67 -0.28 0.00 -1.71 0.00 0.00 55.69 54.72 1a6x s MET 87 Cb 0.16 -0.27 -0.11 0.00 2.01 0.00 0.00 34.83 36.62 1a6x s MET 87 CO 0.27 -0.47 1.48 0.28 -0.01 0.00 0.00 175.02 176.58 1a6x n VAL 88 N 5.36 1.86 0.00 -6.03 0.31 -1.26 -4.70 118.33 113.88 1a6x n VAL 88 Ca -0.06 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1a6x n VAL 88 Cb 0.50 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1a6x n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 89 N 0.72 -0.44 3.46 2.92 0.00 -0.47 -4.74 105.19 106.64 1a6x n GLY 89 Ca 0.03 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1a6x n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6x s THR 90 N 0.00 1.49 -0.02 2.61 2.01 -0.29 0.18 115.64 121.62 1a6x s THR 90 Ca 0.00 -2.06 0.00 0.00 0.31 0.00 0.00 61.69 59.95 1a6x s THR 90 Cb 0.00 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.87 1a6x s THR 90 CO 0.00 -0.14 -0.00 0.12 -0.69 0.00 0.00 174.62 173.90 1a6x s PHE 91 N -3.10 0.26 0.12 4.92 2.19 0.18 -0.78 117.98 121.77 1a6x s PHE 91 Ca 0.33 0.00 0.08 0.00 0.33 0.00 0.00 56.93 57.67 1a6x s PHE 91 Cb 0.07 -0.33 -0.04 0.00 -1.31 0.00 0.00 43.02 41.41 1a6x s PHE 91 CO 0.14 -0.09 -0.20 0.71 1.83 0.00 0.00 175.22 177.61 1a6x s TYR 92 N 0.76 1.77 -0.55 10.12 2.02 0.70 0.10 117.35 132.27 1a6x s TYR 92 Ca -0.07 -0.44 0.20 0.00 -0.37 0.00 0.00 57.07 56.39 1a6x s TYR 92 Cb -0.11 -0.94 -0.26 0.00 -0.40 0.00 0.00 41.96 40.26 1a6x s TYR 92 CO -0.01 0.23 0.67 0.54 -1.57 0.00 0.00 175.55 175.41 1a6x n ARG 93 N 0.85 0.56 -4.23 -0.62 5.12 -1.26 -0.81 116.66 116.26 1a6x n ARG 93 Ca -0.18 -0.08 -0.17 0.00 -1.93 0.00 0.00 57.85 55.50 1a6x n ARG 93 Cb 0.55 -1.45 -0.11 0.00 -1.16 0.00 0.00 32.46 30.29 1a6x n ARG 93 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1a6x s THR 94 N -3.08 1.26 0.15 0.55 -4.23 -1.26 -1.30 115.64 107.73 1a6x s THR 94 Ca 0.01 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 58.74 1a6x s THR 94 Cb 0.14 -1.55 -0.15 0.00 1.34 0.00 0.00 72.50 72.28 1a6x s THR 94 CO 0.82 -0.48 1.36 1.55 -0.54 0.00 0.00 174.62 177.33 1a6x h PRO 95 N 3.42 0.39 -5.14 3.99 0.13 -1.87 -3.47 132.00 129.46 1a6x h PRO 95 Ca -0.39 -0.38 -0.55 0.00 -0.87 0.00 0.00 66.00 63.81 1a6x h PRO 95 Cb 1.20 0.10 -0.13 0.00 0.13 0.00 0.00 31.00 32.29 1a6x h PRO 95 CO 0.53 1.04 -0.54 0.45 -0.23 0.00 0.00 178.00 179.24 1a6x s SER 96 N -7.02 2.91 0.19 1.44 0.15 -1.26 -5.05 113.70 105.06 1a6x s SER 96 Ca -0.06 -1.58 0.05 0.00 0.70 0.00 0.00 55.95 55.06 1a6x s SER 96 Cb 0.10 0.31 0.08 0.00 -1.71 0.00 0.00 66.02 64.80 1a6x s SER 96 CO 0.85 -0.81 1.44 1.55 1.20 0.00 0.00 173.24 177.47 1a6x h PRO 97 N 1.81 0.15 -1.95 5.44 0.13 -1.99 -3.29 132.00 132.31 1a6x h PRO 97 Ca -0.38 -0.15 -0.61 0.00 -0.87 0.00 0.00 66.00 63.99 1a6x h PRO 97 Cb 1.27 0.04 -0.41 0.00 0.13 0.00 0.00 31.00 32.03 1a6x h PRO 97 CO 0.64 0.87 -0.51 -0.40 -0.23 0.00 0.00 178.00 178.36 1a6x n ASP 98 N -3.69 4.88 -3.97 1.44 5.75 -1.26 -5.01 116.55 114.68 1a6x n ASP 98 Ca -0.03 -3.71 -0.14 0.00 -0.01 0.00 0.00 54.79 50.90 1a6x n ASP 98 Cb 0.75 -0.57 -0.13 0.00 -1.03 0.00 0.00 41.12 40.13 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a6x s ALA 99 N -3.58 0.39 1.07 2.12 0.00 -1.24 -5.14 121.76 115.38 1a6x s ALA 99 Ca 0.48 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 1a6x s ALA 99 Cb 0.33 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.47 1a6x s ALA 99 CO -0.17 0.05 -0.27 1.63 0.00 0.00 0.00 175.76 176.99 1a6x n LYS 100 N 2.52 -1.40 -3.20 0.00 4.01 -1.26 -4.78 118.16 114.05 1a6x n LYS 100 Ca -0.16 -0.40 -0.39 0.00 -0.51 0.00 0.00 58.31 56.85 1a6x n LYS 100 Cb 0.57 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.54 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1a6x s ALA 101 N -2.15 3.46 0.29 7.82 0.00 -1.26 -4.54 121.76 125.38 1a6x s ALA 101 Ca 0.47 0.00 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1a6x s ALA 101 Cb -0.06 -2.76 0.73 0.00 0.00 0.00 0.00 23.12 21.04 1a6x s ALA 101 CO 0.59 0.08 1.68 0.74 0.00 0.00 0.00 175.76 178.86 1a6x h PHE 102 N 6.07 0.58 -3.27 0.00 0.04 -1.54 -3.35 116.94 115.48 1a6x h PHE 102 Ca -0.44 0.04 -0.50 0.00 2.80 0.00 0.00 57.97 59.88 1a6x h PHE 102 Cb 1.20 -0.11 -0.39 0.00 2.20 0.00 0.00 35.95 38.84 1a6x h PHE 102 CO 0.65 -0.10 -0.77 -1.50 -0.60 0.00 0.00 178.31 176.00 1a6x s ILE 103 N -5.89 0.52 -0.29 -0.55 2.07 -1.26 -4.92 121.20 110.87 1a6x s ILE 103 Ca -0.12 -0.41 -0.24 0.00 -1.41 0.00 0.00 60.65 58.48 1a6x s ILE 103 Cb 0.25 -0.93 -0.00 0.00 0.13 0.00 0.00 42.46 41.91 1a6x s ILE 103 CO 0.78 -0.08 0.80 -0.70 -1.91 0.00 0.00 174.94 173.82 1a6x s GLU 104 N 1.87 4.01 -0.49 3.50 2.12 -1.26 -4.95 118.70 123.50 1a6x s GLU 104 Ca 0.01 0.66 -0.46 0.00 0.36 0.00 0.00 54.97 55.54 1a6x s GLU 104 Cb -0.16 -3.71 -0.19 0.00 0.26 0.00 0.00 34.13 30.32 1a6x s GLU 104 CO -0.07 -0.65 1.79 0.28 -0.54 0.00 0.00 175.26 176.06 1a6x n VAL 105 N 5.49 0.01 0.00 3.70 0.31 -1.26 -1.16 118.33 125.42 1a6x n VAL 105 Ca 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1a6x n VAL 105 Cb 0.48 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1a6x n VAL 105 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 106 N 5.20 1.39 3.65 2.92 0.00 -1.26 -5.11 105.19 111.98 1a6x n GLY 106 Ca 0.39 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 1a6x n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a6x s GLN 107 N -0.27 2.03 0.38 1.61 0.74 -0.31 -5.00 119.66 118.84 1a6x s GLN 107 Ca 0.00 -2.01 0.08 0.00 0.05 0.00 0.00 55.36 53.48 1a6x s GLN 107 Cb 0.00 -1.75 -0.03 0.00 1.10 0.00 0.00 33.01 32.32 1a6x s GLN 107 CO 0.00 -0.05 0.25 0.21 -0.55 0.00 0.00 175.29 175.15 1a6x s LYS 108 N -3.76 2.46 -0.03 1.67 2.20 -1.26 -2.69 119.74 118.32 1a6x s LYS 108 Ca 0.37 -1.55 -0.02 0.00 -0.36 0.00 0.00 55.97 54.41 1a6x s LYS 108 Cb 0.07 -2.26 0.02 0.00 -1.51 0.00 0.00 37.83 34.15 1a6x s LYS 108 CO 0.19 -0.03 0.08 0.14 -0.36 0.00 0.00 175.35 175.37 1a6x s VAL 109 N -2.45 -0.02 0.01 4.02 -7.23 0.69 -4.99 120.40 110.42 1a6x s VAL 109 Ca 0.42 0.08 0.06 0.00 -1.81 0.00 0.00 61.98 60.74 1a6x s VAL 109 Cb -0.02 -0.13 -0.03 0.00 0.56 0.00 0.00 36.38 36.76 1a6x s VAL 109 CO 0.25 0.03 -0.18 0.21 -0.31 0.00 0.00 175.10 175.10 1a6x s ASN 110 N 0.49 3.74 -0.52 4.85 3.84 -1.26 -0.71 114.94 125.38 1a6x s ASN 110 Ca -0.04 -0.37 -0.43 0.00 0.21 0.00 0.00 52.86 52.23 1a6x s ASN 110 Cb -0.05 -0.63 -0.19 0.00 -0.55 0.00 0.00 41.25 39.83 1a6x s ASN 110 CO -0.02 0.29 2.17 0.55 -2.79 0.00 0.00 177.10 177.30 1a6x n VAL 111 N 1.90 0.01 0.00 -5.21 3.14 -1.26 0.14 118.33 117.04 1a6x n VAL 111 Ca -0.16 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1a6x n VAL 111 Cb 0.52 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 1a6x n VAL 111 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1a6x n GLY 112 N 7.42 1.64 3.83 7.55 0.00 -1.18 -5.04 105.19 119.41 1a6x n GLY 112 Ca 0.55 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.21 1a6x n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a6x s ASP 113 N -1.27 6.93 0.66 1.61 -0.00 0.12 -4.80 116.67 119.92 1a6x s ASP 113 Ca 0.00 1.20 -0.17 0.00 -0.00 0.00 0.00 52.55 53.59 1a6x s ASP 113 Cb 0.00 -2.34 -0.00 0.00 -0.00 0.00 0.00 42.92 40.58 1a6x s ASP 113 CO 0.00 0.12 1.19 -0.89 -0.00 0.00 0.00 175.17 175.59 1a6x s THR 114 N -1.41 2.60 -0.03 -1.27 2.01 -1.26 0.23 115.64 116.51 1a6x s THR 114 Ca 0.37 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1a6x s THR 114 Cb -0.16 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 1a6x s THR 114 CO 0.20 -0.13 -0.03 -0.11 -0.69 0.00 0.00 174.62 173.86 1a6x n LEU 115 N -2.15 2.92 0.00 4.42 7.94 0.61 -4.64 117.00 126.10 1a6x n LEU 115 Ca 0.13 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 1a6x n LEU 115 Cb 0.50 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1a6x n LEU 115 CO 0.46 0.54 0.00 0.00 -1.11 0.00 0.00 177.39 177.28 1a6x s ILE 117 N -2.07 0.50 -0.02 0.00 1.01 0.01 -0.46 121.20 120.17 1a6x s ILE 117 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.06 1a6x s ILE 117 Cb 0.00 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1a6x s ILE 117 CO 0.00 -0.74 -0.00 -0.69 0.00 0.00 0.00 174.94 173.51 1a6x s VAL 118 N -2.91 0.16 -0.13 2.92 1.01 0.14 -0.21 120.40 121.37 1a6x s VAL 118 Ca 0.03 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 1a6x s VAL 118 Cb 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 1a6x s VAL 118 CO -0.04 0.11 0.32 -0.70 0.00 0.00 0.00 175.10 174.80 1a6x s GLU 119 N 0.73 4.16 0.01 2.72 2.12 0.04 -0.17 118.70 128.30 1a6x s GLU 119 Ca -0.07 0.18 -0.29 0.00 0.36 0.00 0.00 54.97 55.14 1a6x s GLU 119 Cb -0.10 -3.38 0.10 0.00 0.26 0.00 0.00 34.13 31.01 1a6x s GLU 119 CO -0.01 0.33 1.13 0.00 -0.54 0.00 0.00 175.26 176.17 1a6x s ALA 120 N 0.15 -1.99 -1.68 6.30 0.00 -0.54 -1.14 121.76 122.86 1a6x s ALA 120 Ca 0.19 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 1a6x s ALA 120 Cb -0.14 0.37 0.12 0.00 0.00 0.00 0.00 23.12 23.47 1a6x s ALA 120 CO 0.06 -0.93 0.46 0.00 0.00 0.00 0.00 175.76 175.35 1a6x n MET 121 N -0.39 -1.74 -4.13 0.00 0.00 -1.26 0.32 117.12 109.92 1a6x n MET 121 Ca -0.06 0.22 -0.31 0.00 0.00 0.00 0.00 57.70 57.55 1a6x n MET 121 Cb 0.61 -4.48 -0.05 0.00 0.00 0.00 0.00 33.22 29.31 1a6x n MET 121 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1a6x n LYS 122 N -4.33 -1.68 -3.57 3.17 2.85 -1.26 -4.91 118.16 108.44 1a6x n LYS 122 Ca -0.07 0.22 -0.07 0.00 -1.05 0.00 0.00 58.31 57.33 1a6x n LYS 122 Cb 0.56 -3.80 -0.03 0.00 -0.65 0.00 0.00 35.03 31.10 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1a6x s MET 123 N -7.03 0.53 0.19 -1.58 -1.94 0.15 -5.16 119.30 104.46 1a6x s MET 123 Ca 0.09 -0.07 -0.24 0.00 -1.71 0.00 0.00 55.69 53.76 1a6x s MET 123 Cb -0.04 0.25 -0.08 0.00 2.01 0.00 0.00 34.83 36.96 1a6x s MET 123 CO 0.95 -0.21 0.77 1.41 -0.01 0.00 0.00 175.02 177.93 1a6x s MET 124 N -2.06 4.49 -0.27 2.03 1.75 -1.26 -1.46 119.30 122.52 1a6x s MET 124 Ca 0.04 1.09 -0.03 0.00 -1.25 0.00 0.00 55.69 55.55 1a6x s MET 124 Cb -0.01 -3.15 0.09 0.00 2.84 0.00 0.00 34.83 34.60 1a6x s MET 124 CO -0.04 0.52 0.09 -0.80 -0.65 0.00 0.00 175.02 174.13 1a6x s ASN 125 N -1.29 3.49 0.63 1.11 0.01 0.76 -4.96 114.94 114.68 1a6x s ASN 125 Ca 0.38 -1.26 -0.14 0.00 -0.71 0.00 0.00 52.86 51.13 1a6x s ASN 125 Cb -0.21 -0.60 -0.02 0.00 0.41 0.00 0.00 41.25 40.83 1a6x s ASN 125 CO 0.25 -0.39 1.06 -1.10 -1.51 0.00 0.00 177.10 175.41 1a6x s GLN 126 N 1.86 3.14 -0.21 -0.60 -0.21 -1.26 0.24 119.66 122.61 1a6x s GLN 126 Ca 0.06 1.17 0.01 0.00 0.02 0.00 0.00 55.36 56.62 1a6x s GLN 126 Cb -0.17 -2.01 0.03 0.00 1.00 0.00 0.00 33.01 31.86 1a6x s GLN 126 CO -0.23 -0.95 -0.15 0.42 -2.12 0.00 0.00 175.29 172.26 1a6x s ILE 127 N -2.58 2.24 -0.25 1.08 1.01 0.40 -4.86 121.20 118.24 1a6x s ILE 127 Ca 0.63 -1.15 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 1a6x s ILE 127 Cb -0.16 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1a6x s ILE 127 CO 0.42 0.32 0.45 -0.70 0.00 0.00 0.00 174.94 175.43 1a6x s GLU 128 N 1.24 4.07 0.06 2.79 2.12 -1.26 -0.28 118.70 127.45 1a6x s GLU 128 Ca 0.00 0.21 -0.36 0.00 0.36 0.00 0.00 54.97 55.18 1a6x s GLU 128 Cb -0.16 -3.63 -0.19 0.00 0.26 0.00 0.00 34.13 30.41 1a6x s GLU 128 CO -0.09 -0.27 0.92 0.00 -0.54 0.00 0.00 175.26 175.28 1a6x n ALA 129 N 5.26 -3.30 -0.63 6.30 0.00 0.13 -4.84 120.51 123.44 1a6x n ALA 129 Ca -0.06 0.55 0.04 0.00 0.00 0.00 0.00 53.44 53.96 1a6x n ALA 129 Cb 0.50 -1.73 0.05 0.00 0.00 0.00 0.00 19.45 18.27 1a6x n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a6x n ASP 130 N 1.68 1.80 -2.87 0.00 -0.08 -1.26 -3.10 116.55 112.71 1a6x n ASP 130 Ca 0.19 -2.31 -0.02 0.00 -1.51 0.00 0.00 54.79 51.14 1a6x n ASP 130 Cb 0.14 -0.17 0.01 0.00 2.34 0.00 0.00 41.12 43.43 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1a6x s LYS 131 N -1.52 0.94 0.17 -0.67 2.20 -1.26 -4.86 119.74 114.73 1a6x s LYS 131 Ca 0.12 -0.78 -0.28 0.00 -0.36 0.00 0.00 55.97 54.66 1a6x s LYS 131 Cb 0.10 -0.01 -0.17 0.00 -1.51 0.00 0.00 37.83 36.25 1a6x s LYS 131 CO 0.01 -1.20 0.56 -1.13 -0.36 0.00 0.00 175.35 173.23 1a6x n SER 132 N 3.33 -1.05 0.00 1.43 3.41 -1.26 -4.80 113.62 114.68 1a6x n SER 132 Ca 0.15 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 1a6x n SER 132 Cb 0.57 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1a6x n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 133 N 1.86 -1.25 3.49 5.00 0.00 0.12 -4.48 105.19 109.92 1a6x n GLY 133 Ca 0.18 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 1a6x n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6x s THR 134 N -2.67 2.82 1.00 2.61 2.01 -1.26 -0.22 115.64 119.91 1a6x s THR 134 Ca 0.00 -1.60 -0.18 0.00 0.31 0.00 0.00 61.69 60.22 1a6x s THR 134 Cb 0.00 -2.31 -0.13 0.00 0.01 0.00 0.00 72.50 70.07 1a6x s THR 134 CO 0.00 0.04 -0.77 0.55 -0.69 0.00 0.00 174.62 173.75 1a6x n VAL 135 N 0.63 0.00 0.00 3.82 3.14 -1.10 0.18 118.33 125.00 1a6x n VAL 135 Ca -0.15 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1a6x n VAL 135 Cb 0.53 -0.09 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 1a6x n VAL 135 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1a6x n LYS 136 N 1.85 0.00 0.00 1.45 0.00 -0.03 -3.81 118.16 117.62 1a6x n LYS 136 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.30 1a6x n LYS 136 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 35.03 35.57 1a6x n LYS 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a6x n ALA 137 N -2.36 0.00 -2.80 3.14 0.00 0.22 -4.96 120.51 113.76 1a6x n ALA 137 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1a6x n ALA 137 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1a6x n ALA 137 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a6x s ILE 138 N -0.31 4.95 -0.24 0.00 1.09 -1.26 0.19 121.20 125.61 1a6x s ILE 138 Ca 0.00 0.02 -0.09 0.00 -1.10 0.00 0.00 60.65 59.48 1a6x s ILE 138 Cb 0.00 -3.24 -0.16 0.00 -1.06 0.00 0.00 42.46 38.00 1a6x s ILE 138 CO 0.00 0.45 -0.15 0.18 -0.10 0.00 0.00 174.94 175.32 1a6x n LEU 139 N 3.55 2.35 -4.82 2.97 4.77 -0.33 -4.93 117.00 120.56 1a6x n LEU 139 Ca -0.16 0.18 -0.38 0.00 -0.03 0.00 0.00 56.01 55.62 1a6x n LEU 139 Cb 0.52 -0.91 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1a6x n LEU 139 CO 0.36 0.68 0.20 0.54 -1.33 0.00 0.00 177.39 177.84 1a6x s VAL 140 N -2.50 4.87 0.60 4.08 0.11 -0.78 -5.07 120.40 121.70 1a6x s VAL 140 Ca -0.34 1.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.78 1a6x s VAL 140 Cb 0.11 -3.81 0.11 0.00 -1.53 0.00 0.00 36.38 31.26 1a6x s VAL 140 CO 0.57 0.53 0.82 -1.84 -3.33 0.00 0.00 175.10 171.86 1a6x n GLU 141 N 1.65 0.36 -2.41 1.54 -0.00 -1.26 -4.91 120.64 115.61 1a6x n GLU 141 Ca -0.11 -2.79 -0.39 0.00 -0.00 0.00 0.00 57.16 53.86 1a6x n GLU 141 Cb 0.51 -0.38 -0.03 0.00 -0.00 0.00 0.00 31.44 31.55 1a6x n GLU 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1a6x s SER 142 N -4.55 5.96 0.00 -1.84 0.15 -1.26 -2.85 113.70 109.30 1a6x s SER 142 Ca 0.59 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1a6x s SER 142 Cb -0.04 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1a6x s SER 142 CO 0.38 -1.96 0.00 0.61 1.20 0.00 0.00 173.24 173.47 1a6x n GLY 143 N 5.82 2.21 3.43 9.45 0.00 0.11 -4.86 105.19 121.35 1a6x n GLY 143 Ca 0.15 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1a6x n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a6x n GLN 144 N 0.00 0.40 -1.52 1.61 6.02 -1.13 -4.37 117.38 118.39 1a6x n GLN 144 Ca 0.00 0.16 -0.30 0.00 -0.01 0.00 0.00 57.00 56.85 1a6x n GLN 144 Cb 0.00 -1.60 0.22 0.00 1.02 0.00 0.00 30.24 29.88 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1a6x s PRO 145 N -1.99 -0.34 0.12 -1.09 0.04 -1.26 -0.65 135.00 129.83 1a6x s PRO 145 Ca 0.66 -0.27 -0.19 0.00 0.04 0.00 0.00 61.00 61.24 1a6x s PRO 145 Cb -0.44 -1.72 0.05 0.00 0.04 0.00 0.00 34.50 32.43 1a6x s PRO 145 CO 0.57 -3.09 0.48 0.14 0.04 0.00 0.00 177.00 175.13 1a6x s VAL 146 N -3.47 0.04 0.12 -0.36 -7.23 0.13 -4.51 120.40 105.12 1a6x s VAL 146 Ca 0.73 -0.36 -0.07 0.00 -1.81 0.00 0.00 61.98 60.47 1a6x s VAL 146 Cb -0.06 -1.08 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 1a6x s VAL 146 CO 0.54 -0.20 0.19 -1.83 -0.31 0.00 0.00 175.10 173.50 1a6x s GLU 147 N -3.52 0.94 0.28 4.82 -1.05 -1.26 -1.36 118.70 117.54 1a6x s GLU 147 Ca 0.01 -1.11 -0.30 0.00 -0.15 0.00 0.00 54.97 53.42 1a6x s GLU 147 Cb 0.01 0.33 -0.11 0.00 -0.44 0.00 0.00 34.13 33.92 1a6x s GLU 147 CO -0.10 -0.31 1.53 0.12 0.95 0.00 0.00 175.26 177.45 1a6x s PHE 148 N -3.92 2.86 0.00 4.83 5.36 -1.26 -1.01 117.98 124.83 1a6x s PHE 148 Ca 0.11 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 1a6x s PHE 148 Cb 0.05 -3.97 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 1a6x s PHE 148 CO -0.06 -3.21 0.00 -0.40 -1.46 0.00 0.00 175.22 170.09 1a6x n ASP 149 N 2.21 0.00 -4.75 6.13 5.68 -1.25 -5.00 116.55 119.57 1a6x n ASP 149 Ca 0.07 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.98 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.31 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1a6x s GLU 150 N -0.16 4.33 0.63 0.11 2.56 -0.18 -4.93 118.70 121.06 1a6x s GLU 150 Ca 0.00 0.69 -0.14 0.00 0.00 0.00 0.00 54.97 55.52 1a6x s GLU 150 Cb 0.00 -3.38 -0.02 0.00 2.00 0.00 0.00 34.13 32.73 1a6x s GLU 150 CO 0.00 0.28 1.05 -1.25 -0.56 0.00 0.00 175.26 174.79 1a6x s PRO 151 N 0.12 3.22 0.00 4.30 0.04 -1.26 -0.05 135.00 141.37 1a6x s PRO 151 Ca 0.31 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1a6x s PRO 151 Cb -0.17 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1a6x s PRO 151 CO 0.16 -0.88 0.00 1.28 0.04 0.00 0.00 177.00 177.60 1a6x n LEU 152 N -2.43 0.00 -4.16 -3.56 4.77 0.46 -4.67 117.00 107.41 1a6x n LEU 152 Ca 0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 1a6x n LEU 152 Cb 0.53 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.44 1a6x n LEU 152 CO 0.50 -0.25 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.14 1a6x s VAL 153 N -0.50 1.29 -0.25 4.08 1.01 -1.25 -1.18 120.40 123.61 1a6x s VAL 153 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1a6x s VAL 153 Cb 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1a6x s VAL 153 CO 0.00 0.27 0.19 -0.69 0.00 0.00 0.00 175.10 174.87 1a6x s VAL 154 N -0.53 5.33 0.32 2.92 1.01 0.49 -1.41 120.40 128.53 1a6x s VAL 154 Ca 0.05 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.33 1a6x s VAL 154 Cb -0.07 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1a6x s VAL 154 CO 0.00 0.31 0.22 -0.63 0.00 0.00 0.00 175.10 175.00 1a6x s ILE 155 N 1.29 3.58 -2.68 2.22 1.01 0.13 -0.61 121.20 126.15 1a6x s ILE 155 Ca 0.08 -1.48 0.27 0.00 0.00 0.00 0.00 60.65 59.52 1a6x s ILE 155 Cb -0.14 -3.16 0.42 0.00 0.01 0.00 0.00 42.46 39.59 1a6x s ILE 155 CO 0.07 -0.22 1.57 1.21 0.00 0.00 0.00 174.94 177.57