#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 0.22 0.00 0.03 1.02 -1.26 -5.00 120.64 115.65 1a6x n GLU 71 Ca 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 1a6x n GLU 71 Cb 0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a6x n ALA 72 N 1.89 0.00 -1.65 0.62 0.00 -1.26 -5.03 120.51 115.07 1a6x n ALA 72 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 1a6x n ALA 72 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 1a6x n ALA 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a6x n PRO 73 N 0.00 2.21 -1.14 0.00 -0.04 -1.26 -4.64 135.00 130.12 1a6x n PRO 73 Ca 0.00 -2.37 0.15 0.00 -0.04 0.00 0.00 63.50 61.24 1a6x n PRO 73 Cb 0.00 -3.23 -0.04 0.00 -0.04 0.00 0.00 33.50 30.19 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 7.99 -2.96 -0.22 0.55 0.00 -1.26 -4.91 120.51 119.69 1a6x n ALA 74 Ca 0.50 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1a6x n ALA 74 Cb 0.41 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 75 N -2.23 1.44 0.00 0.00 0.00 -1.26 -4.76 120.51 113.70 1a6x n ALA 75 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1a6x n ALA 75 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1a6x n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 76 N -2.22 0.00 -3.40 0.00 0.00 -1.26 -5.07 120.51 108.56 1a6x n ALA 76 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1a6x n ALA 76 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1a6x n ALA 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a6x n GLU 77 N -0.51 -1.93 0.00 0.00 -0.58 -1.26 -3.39 120.64 112.97 1a6x n GLU 77 Ca 0.00 1.46 0.00 0.00 -0.42 0.00 0.00 57.16 58.20 1a6x n GLU 77 Cb 0.00 -3.01 0.00 0.00 -0.57 0.00 0.00 31.44 27.86 1a6x n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1a6x n ILE 78 N -0.70 0.00 -1.38 -3.67 5.41 -1.26 -4.70 119.36 113.07 1a6x n ILE 78 Ca -0.08 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.54 1a6x n ILE 78 Cb 0.63 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.51 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1a6x n SER 79 N 3.43 -5.08 -4.06 4.38 3.41 -1.22 -4.78 113.62 109.71 1a6x n SER 79 Ca 0.00 0.32 -0.37 0.00 -0.26 0.00 0.00 58.87 58.56 1a6x n SER 79 Cb 0.00 -3.72 0.05 0.00 -0.26 0.00 0.00 64.21 60.29 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 -0.70 -3.65 2.74 5.00 0.00 -1.01 -4.88 105.19 102.68 1a6x n GLY 80 Ca -0.13 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.05 0.28 -0.26 1.61 5.65 0.14 -4.88 115.29 115.77 1a6x s HIS 81 Ca 0.41 0.08 -0.18 0.00 0.25 0.00 0.00 55.06 55.62 1a6x s HIS 81 Cb -0.07 -0.53 -0.03 0.00 -1.18 0.00 0.00 32.58 30.78 1a6x s HIS 81 CO 0.74 -0.20 0.51 0.42 -0.65 0.00 0.00 174.74 175.55 1a6x s ILE 82 N 1.76 5.08 -0.09 0.89 1.09 -1.26 -0.78 121.20 127.88 1a6x s ILE 82 Ca 0.00 0.87 -0.29 0.00 -1.10 0.00 0.00 60.65 60.13 1a6x s ILE 82 Cb -0.13 -3.82 -0.06 0.00 -1.06 0.00 0.00 42.46 37.39 1a6x s ILE 82 CO -0.03 0.09 1.92 -0.69 -0.10 0.00 0.00 174.94 176.13 1a6x s VAL 83 N 2.25 3.22 -0.36 2.92 1.01 0.28 -4.86 120.40 124.87 1a6x s VAL 83 Ca 0.21 0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 1a6x s VAL 83 Cb -0.16 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.07 1a6x s VAL 83 CO 0.09 -0.07 0.14 -0.13 0.00 0.00 0.00 175.10 175.14 1a6x s ARG 84 N 4.91 2.58 -0.75 2.72 0.52 -1.26 0.86 118.95 128.52 1a6x s ARG 84 Ca 0.86 -1.28 -0.35 0.00 -0.52 0.00 0.00 55.73 54.44 1a6x s ARG 84 Cb -0.36 -3.53 -0.19 0.00 0.52 0.00 0.00 34.95 31.39 1a6x s ARG 84 CO 0.36 -0.75 2.46 0.45 0.02 0.00 0.00 175.30 177.84 1a6x n SER 85 N 4.82 0.71 0.00 0.23 2.88 0.14 -4.70 113.62 117.69 1a6x n SER 85 Ca -0.11 0.32 0.11 0.00 -1.33 0.00 0.00 58.87 57.86 1a6x n SER 85 Cb 0.44 -0.98 0.67 0.00 -0.75 0.00 0.00 64.21 63.59 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 8.17 0.75 -3.67 -1.46 -0.04 -1.26 -2.92 135.00 134.56 1a6x n PRO 86 Ca 0.59 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.96 1a6x n PRO 86 Cb 0.05 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 31.95 1a6x n PRO 86 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1a6x s MET 87 N -2.00 0.46 0.65 0.54 1.75 -1.26 -4.92 119.30 114.52 1a6x s MET 87 Ca 0.34 1.00 -0.18 0.00 -1.25 0.00 0.00 55.69 55.60 1a6x s MET 87 Cb 0.16 0.17 -0.01 0.00 2.84 0.00 0.00 34.83 37.98 1a6x s MET 87 CO 0.26 -0.18 1.26 0.08 -0.65 0.00 0.00 175.02 175.79 1a6x s VAL 88 N 1.86 2.19 0.00 10.11 1.01 -1.26 -4.68 120.40 129.63 1a6x s VAL 88 Ca -0.08 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1a6x s VAL 88 Cb -0.09 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1a6x s VAL 88 CO -0.15 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1a6x n GLY 89 N 0.75 -0.18 3.17 4.51 0.00 -0.44 -4.70 105.19 108.31 1a6x n GLY 89 Ca 0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 0.22 -0.02 2.61 2.01 0.11 0.02 115.64 120.59 1a6x s THR 90 Ca 0.00 -1.93 0.02 0.00 0.31 0.00 0.00 61.69 60.09 1a6x s THR 90 Cb 0.00 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.42 1a6x s THR 90 CO 0.00 -0.43 -0.06 0.12 -0.69 0.00 0.00 174.62 173.56 1a6x s PHE 91 N -3.97 0.69 0.04 4.92 2.19 0.28 -0.43 117.98 121.69 1a6x s PHE 91 Ca 0.25 -0.16 0.04 0.00 0.33 0.00 0.00 56.93 57.39 1a6x s PHE 91 Cb 0.07 -0.52 -0.02 0.00 -1.31 0.00 0.00 43.02 41.24 1a6x s PHE 91 CO 0.03 -0.08 -0.11 0.71 1.83 0.00 0.00 175.22 177.59 1a6x s TYR 92 N 0.27 1.00 -0.51 10.12 2.02 0.66 0.70 117.35 131.61 1a6x s TYR 92 Ca -0.03 -0.36 0.23 0.00 -0.37 0.00 0.00 57.07 56.54 1a6x s TYR 92 Cb -0.08 -0.60 0.11 0.00 -0.40 0.00 0.00 41.96 41.00 1a6x s TYR 92 CO -0.00 0.00 1.10 0.54 -1.57 0.00 0.00 175.55 175.62 1a6x n ARG 93 N 1.90 0.37 -4.11 -0.62 5.12 -1.26 -0.43 116.66 117.63 1a6x n ARG 93 Ca -0.19 0.04 -0.11 0.00 -1.93 0.00 0.00 57.85 55.66 1a6x n ARG 93 Cb 0.55 -1.67 -0.11 0.00 -1.16 0.00 0.00 32.46 30.08 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 -3.24 0.57 -0.87 0.55 -4.23 -1.26 -1.41 115.64 105.76 1a6x s THR 94 Ca 0.03 -1.52 0.23 0.00 -1.18 0.00 0.00 61.69 59.25 1a6x s THR 94 Cb 0.13 -1.16 0.21 0.00 1.34 0.00 0.00 72.50 73.02 1a6x s THR 94 CO 0.78 -0.66 1.71 -0.81 -0.54 0.00 0.00 174.62 175.10 1a6x n PRO 95 N 0.67 0.08 -3.79 3.99 -0.04 -1.26 -4.87 135.00 129.78 1a6x n PRO 95 Ca -0.17 0.19 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1a6x n PRO 95 Cb 0.58 -1.62 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 1a6x n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1a6x s SER 96 N -3.47 -0.18 0.36 3.54 0.01 -1.26 -4.98 113.70 107.72 1a6x s SER 96 Ca 0.09 -0.49 0.19 0.00 1.31 0.00 0.00 55.95 57.05 1a6x s SER 96 Cb 0.13 0.56 0.53 0.00 0.21 0.00 0.00 66.02 67.45 1a6x s SER 96 CO 0.43 -1.04 1.66 1.55 0.41 0.00 0.00 173.24 176.24 1a6x h PRO 97 N 2.00 0.00 -0.25 12.44 0.13 -1.96 -2.96 132.00 141.40 1a6x h PRO 97 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1a6x h PRO 97 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1a6x h PRO 97 CO 0.26 0.36 -0.00 -0.25 -0.23 0.00 0.00 178.00 178.14 1a6x n ASP 98 N -3.37 3.74 -4.66 1.44 8.00 -1.26 -4.98 116.55 115.46 1a6x n ASP 98 Ca 0.01 -3.05 -0.31 0.00 0.71 0.00 0.00 54.79 52.15 1a6x n ASP 98 Cb 0.57 -0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 41.04 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a6x s ALA 99 N -2.85 3.22 0.86 2.24 0.00 -1.12 -5.11 121.76 119.00 1a6x s ALA 99 Ca 0.42 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1a6x s ALA 99 Cb 0.34 -1.18 0.12 0.00 0.00 0.00 0.00 23.12 22.39 1a6x s ALA 99 CO 0.08 0.68 0.26 0.36 0.00 0.00 0.00 175.76 177.14 1a6x n LYS 100 N 0.86 -1.38 -4.44 0.00 2.85 -1.26 -4.68 118.16 110.10 1a6x n LYS 100 Ca -0.12 -0.44 -0.34 0.00 -1.05 0.00 0.00 58.31 56.36 1a6x n LYS 100 Cb 0.52 -0.75 -0.11 0.00 -0.65 0.00 0.00 35.03 34.04 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1a6x s ALA 101 N -2.03 3.06 0.29 0.58 0.00 -1.26 -4.37 121.76 118.03 1a6x s ALA 101 Ca 0.20 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 1a6x s ALA 101 Cb -0.04 -1.47 0.43 0.00 0.00 0.00 0.00 23.12 22.05 1a6x s ALA 101 CO 0.17 0.38 1.85 0.74 0.00 0.00 0.00 175.76 178.89 1a6x h PHE 102 N 6.04 0.83 -3.22 0.00 0.04 -1.54 -3.40 116.94 115.68 1a6x h PHE 102 Ca -0.39 -0.07 -0.45 0.00 2.80 0.00 0.00 57.97 59.86 1a6x h PHE 102 Cb 1.19 -0.25 -0.39 0.00 2.20 0.00 0.00 35.95 38.70 1a6x h PHE 102 CO 0.56 0.69 -0.76 0.96 -0.60 0.00 0.00 178.31 179.16 1a6x s ILE 103 N -5.25 0.22 -0.37 -0.55 -4.36 -1.26 -4.68 121.20 104.95 1a6x s ILE 103 Ca -0.10 -0.06 -0.15 0.00 -0.26 0.00 0.00 60.65 60.08 1a6x s ILE 103 Cb 0.16 -0.60 -0.00 0.00 1.25 0.00 0.00 42.46 43.26 1a6x s ILE 103 CO 0.79 0.00 0.33 -1.61 0.24 0.00 0.00 174.94 174.70 1a6x s GLU 104 N 2.02 3.34 -0.49 0.37 0.41 -1.26 -5.00 118.70 118.08 1a6x s GLU 104 Ca 0.03 -0.66 -0.46 0.00 -0.41 0.00 0.00 54.97 53.47 1a6x s GLU 104 Cb -0.14 -3.87 -0.19 0.00 -1.78 0.00 0.00 34.13 28.14 1a6x s GLU 104 CO -0.06 -0.61 1.80 0.28 -0.49 0.00 0.00 175.26 176.18 1a6x n VAL 105 N 5.23 0.01 0.00 2.63 0.31 -1.26 -1.31 118.33 123.94 1a6x n VAL 105 Ca -0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1a6x n VAL 105 Cb 0.49 -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 5.28 1.48 3.33 2.92 0.00 -1.26 -5.11 105.19 111.82 1a6x n GLY 106 Ca 0.40 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.01 1.28 0.39 1.61 0.74 -0.43 -5.02 119.66 118.22 1a6x s GLN 107 Ca 0.00 -1.54 0.07 0.00 0.05 0.00 0.00 55.36 53.94 1a6x s GLN 107 Cb 0.00 -1.08 -0.00 0.00 1.10 0.00 0.00 33.01 33.03 1a6x s GLN 107 CO 0.00 0.18 0.49 0.21 -0.55 0.00 0.00 175.29 175.62 1a6x s LYS 108 N -3.53 2.88 -0.05 1.67 2.20 -1.26 -3.01 119.74 118.63 1a6x s LYS 108 Ca 0.21 -1.21 -0.10 0.00 -0.36 0.00 0.00 55.97 54.51 1a6x s LYS 108 Cb -0.01 -2.71 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 1a6x s LYS 108 CO 0.06 -0.13 0.24 0.14 -0.36 0.00 0.00 175.35 175.30 1a6x s VAL 109 N -2.31 0.03 0.06 4.02 -7.23 0.24 -4.99 120.40 110.23 1a6x s VAL 109 Ca 0.50 -0.29 0.03 0.00 -1.81 0.00 0.00 61.98 60.42 1a6x s VAL 109 Cb -0.09 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 1a6x s VAL 109 CO 0.31 -0.16 -0.10 0.54 -0.31 0.00 0.00 175.10 175.39 1a6x s ASN 110 N -0.60 1.16 -0.54 4.85 4.22 -1.26 -0.63 114.94 122.15 1a6x s ASN 110 Ca -0.07 -0.62 -0.42 0.00 -2.14 0.00 0.00 52.86 49.61 1a6x s ASN 110 Cb -0.04 0.01 -0.19 0.00 1.28 0.00 0.00 41.25 42.31 1a6x s ASN 110 CO 0.02 -0.18 2.20 0.52 -2.04 0.00 0.00 177.10 177.61 1a6x n VAL 111 N 1.25 0.01 0.00 3.54 0.31 -1.26 0.13 118.33 122.31 1a6x n VAL 111 Ca -0.21 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1a6x n VAL 111 Cb 0.55 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1a6x n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 112 N 7.37 1.28 3.80 2.92 0.00 -1.26 -5.07 105.19 114.23 1a6x n GLY 112 Ca 0.56 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.78 7.02 1.35 1.61 1.11 0.12 -4.89 116.67 122.21 1a6x s ASP 113 Ca 0.00 1.21 -0.19 0.00 0.18 0.00 0.00 52.55 53.75 1a6x s ASP 113 Cb 0.00 -2.35 0.35 0.00 1.07 0.00 0.00 42.92 41.98 1a6x s ASP 113 CO 0.00 0.22 0.92 0.41 1.18 0.00 0.00 175.17 177.91 1a6x n THR 114 N 2.05 0.00 0.00 -1.27 -1.04 -1.26 -0.71 114.28 112.06 1a6x n THR 114 Ca -0.09 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1a6x n THR 114 Cb 0.51 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1a6x n THR 114 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a6x n LEU 115 N -5.40 0.21 0.00 -4.42 7.99 0.12 -4.31 117.00 111.20 1a6x n LEU 115 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 1a6x n LEU 115 Cb 0.57 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.88 1a6x n LEU 115 CO 0.48 -0.23 0.00 0.00 -1.51 0.00 0.00 177.39 176.14 1a6x s ILE 117 N -2.28 0.60 -0.08 0.00 -1.09 0.42 -1.27 121.20 117.51 1a6x s ILE 117 Ca 0.00 -1.14 -0.01 0.00 -2.23 0.00 0.00 60.65 57.27 1a6x s ILE 117 Cb 0.00 -0.69 0.03 0.00 -1.58 0.00 0.00 42.46 40.21 1a6x s ILE 117 CO 0.00 -0.39 -0.01 -0.69 -1.23 0.00 0.00 174.94 172.62 1a6x s VAL 118 N -1.46 0.50 -0.14 2.92 1.01 0.60 -0.24 120.40 123.59 1a6x s VAL 118 Ca -0.08 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1a6x s VAL 118 Cb -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1a6x s VAL 118 CO 0.00 0.27 0.60 -0.70 0.00 0.00 0.00 175.10 175.27 1a6x s GLU 119 N 1.92 4.31 0.04 2.72 2.12 0.43 -1.08 118.70 129.16 1a6x s GLU 119 Ca 0.05 0.63 -0.28 0.00 0.36 0.00 0.00 54.97 55.73 1a6x s GLU 119 Cb -0.12 -3.50 0.09 0.00 0.26 0.00 0.00 34.13 30.87 1a6x s GLU 119 CO -0.06 -0.03 1.09 0.00 -0.54 0.00 0.00 175.26 175.72 1a6x s ALA 120 N 1.18 -1.91 -1.46 6.30 0.00 -0.15 0.06 121.76 125.77 1a6x s ALA 120 Ca 0.30 0.57 -0.08 0.00 0.00 0.00 0.00 51.96 52.75 1a6x s ALA 120 Cb -0.16 0.45 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1a6x s ALA 120 CO 0.12 -0.96 0.79 -1.33 0.00 0.00 0.00 175.76 174.39 1a6x n MET 121 N -0.41 -4.77 -3.42 0.00 2.81 -1.26 -0.19 117.12 109.88 1a6x n MET 121 Ca -0.07 0.55 -0.22 0.00 -1.81 0.00 0.00 57.70 56.15 1a6x n MET 121 Cb 0.61 -5.21 -0.02 0.00 -0.71 0.00 0.00 33.22 27.89 1a6x n MET 121 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1a6x n LYS 122 N -4.49 -2.61 -3.98 0.03 4.81 -1.26 -4.86 118.16 105.80 1a6x n LYS 122 Ca -0.11 0.29 -0.10 0.00 -0.87 0.00 0.00 58.31 57.52 1a6x n LYS 122 Cb 0.59 -4.91 -0.04 0.00 0.02 0.00 0.00 35.03 30.69 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1a6x s MET 123 N -6.04 1.70 -0.18 1.64 -1.94 0.73 -5.15 119.30 110.06 1a6x s MET 123 Ca 0.40 -1.33 -0.04 0.00 -1.71 0.00 0.00 55.69 53.01 1a6x s MET 123 Cb -0.22 0.50 -0.03 0.00 2.01 0.00 0.00 34.83 37.09 1a6x s MET 123 CO 0.49 -0.73 -0.01 1.41 -0.01 0.00 0.00 175.02 176.17 1a6x s MET 124 N -3.68 3.65 0.19 2.03 1.75 -1.26 -0.98 119.30 121.00 1a6x s MET 124 Ca 0.22 -0.52 0.11 0.00 -1.25 0.00 0.00 55.69 54.25 1a6x s MET 124 Cb -0.02 -3.01 -0.04 0.00 2.84 0.00 0.00 34.83 34.60 1a6x s MET 124 CO 0.11 0.12 -0.20 -0.80 -0.65 0.00 0.00 175.02 173.60 1a6x s ASN 125 N 0.70 3.67 0.11 1.11 0.01 -0.24 -4.99 114.94 115.31 1a6x s ASN 125 Ca -0.01 -0.78 0.07 0.00 -0.71 0.00 0.00 52.86 51.42 1a6x s ASN 125 Cb -0.14 -0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.09 1a6x s ASN 125 CO 0.02 0.12 -0.06 -1.10 -1.51 0.00 0.00 177.10 174.56 1a6x s GLN 126 N -2.72 2.26 -0.25 -0.60 -0.21 -1.26 -0.29 119.66 116.60 1a6x s GLN 126 Ca 0.22 -0.99 -0.03 0.00 0.02 0.00 0.00 55.36 54.59 1a6x s GLN 126 Cb -0.08 -2.37 0.02 0.00 1.00 0.00 0.00 33.01 31.58 1a6x s GLN 126 CO 0.11 0.51 -0.04 0.42 -2.12 0.00 0.00 175.29 174.17 1a6x s ILE 127 N -1.30 3.08 -0.08 1.08 -1.09 -0.40 -4.86 121.20 117.63 1a6x s ILE 127 Ca 0.23 -0.89 -0.10 0.00 -2.23 0.00 0.00 60.65 57.66 1a6x s ILE 127 Cb -0.11 -2.54 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 1a6x s ILE 127 CO 0.15 0.23 0.24 -0.70 -1.23 0.00 0.00 174.94 173.63 1a6x s GLU 128 N 1.37 3.66 0.10 2.79 2.12 -1.26 0.13 118.70 127.62 1a6x s GLU 128 Ca 0.02 0.06 -0.35 0.00 0.36 0.00 0.00 54.97 55.05 1a6x s GLU 128 Cb -0.16 -3.22 -0.18 0.00 0.26 0.00 0.00 34.13 30.83 1a6x s GLU 128 CO -0.04 0.71 1.05 0.00 -0.54 0.00 0.00 175.26 176.44 1a6x n ALA 129 N 2.05 -2.22 -0.63 6.30 0.00 0.11 -4.85 120.51 121.27 1a6x n ALA 129 Ca -0.17 0.52 0.05 0.00 0.00 0.00 0.00 53.44 53.84 1a6x n ALA 129 Cb 0.54 -1.87 0.07 0.00 0.00 0.00 0.00 19.45 18.19 1a6x n ALA 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a6x n ASP 130 N 1.89 2.08 -2.72 0.00 5.75 -1.26 -4.31 116.55 117.97 1a6x n ASP 130 Ca 0.18 -2.54 0.01 0.00 -0.01 0.00 0.00 54.79 52.43 1a6x n ASP 130 Cb 0.18 -0.23 0.01 0.00 -1.03 0.00 0.00 41.12 40.05 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1a6x s LYS 131 N -1.92 0.13 0.10 0.11 2.20 -1.26 -5.07 119.74 114.03 1a6x s LYS 131 Ca 0.17 -0.06 -0.33 0.00 -0.36 0.00 0.00 55.97 55.39 1a6x s LYS 131 Cb 0.15 0.01 -0.18 0.00 -1.51 0.00 0.00 37.83 36.30 1a6x s LYS 131 CO 0.02 -0.18 0.76 -1.13 -0.36 0.00 0.00 175.35 174.45 1a6x n SER 132 N 3.45 -0.63 0.00 1.43 3.41 -1.26 -4.88 113.62 115.14 1a6x n SER 132 Ca 0.06 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 1a6x n SER 132 Cb 0.64 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 1.69 -1.29 3.81 5.00 0.00 0.20 -4.47 105.19 110.14 1a6x n GLY 133 Ca 0.18 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.68 2.78 0.45 2.61 2.01 -1.26 -0.59 115.64 118.96 1a6x s THR 134 Ca 0.00 -1.50 -0.25 0.00 0.31 0.00 0.00 61.69 60.25 1a6x s THR 134 Cb 0.00 -3.02 -0.08 0.00 0.01 0.00 0.00 72.50 69.41 1a6x s THR 134 CO 0.00 -0.06 1.35 0.54 -0.69 0.00 0.00 174.62 175.75 1a6x s VAL 135 N -2.47 2.36 -0.01 3.82 0.11 -1.16 0.39 120.40 123.44 1a6x s VAL 135 Ca 0.43 0.31 -0.00 0.00 -2.93 0.00 0.00 61.98 59.79 1a6x s VAL 135 Cb -0.02 -3.18 -0.00 0.00 -1.53 0.00 0.00 36.38 31.65 1a6x s VAL 135 CO 0.25 0.03 -0.01 1.17 -3.33 0.00 0.00 175.10 173.22 1a6x n LYS 136 N -0.21 0.01 0.00 1.54 4.81 0.24 -4.50 118.16 120.05 1a6x n LYS 136 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1a6x n LYS 136 Cb 0.43 -0.76 0.00 0.00 0.02 0.00 0.00 35.03 34.73 1a6x n LYS 136 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a6x n ALA 137 N -2.78 0.00 -2.77 3.14 0.00 0.32 -4.93 120.51 113.49 1a6x n ALA 137 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1a6x n ALA 137 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 5.40 -0.13 0.00 1.01 -1.26 0.18 121.20 126.08 1a6x s ILE 138 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 1a6x s ILE 138 Cb 0.00 -3.49 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 1a6x s ILE 138 CO 0.00 0.52 -0.14 0.18 0.00 0.00 0.00 174.94 175.50 1a6x n LEU 139 N 2.71 2.17 -4.75 2.97 4.77 -0.20 -4.96 117.00 119.71 1a6x n LEU 139 Ca -0.17 0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.43 1a6x n LEU 139 Cb 0.53 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1a6x n LEU 139 CO 0.35 0.54 0.92 0.54 -1.33 0.00 0.00 177.39 178.41 1a6x s VAL 140 N -2.26 3.16 -0.28 4.08 0.11 -0.68 -5.00 120.40 119.54 1a6x s VAL 140 Ca -0.18 1.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.84 1a6x s VAL 140 Cb 0.06 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 31.18 1a6x s VAL 140 CO 0.28 0.22 0.18 -0.70 -3.33 0.00 0.00 175.10 171.75 1a6x s GLU 141 N -1.04 3.86 -0.85 1.54 2.56 -1.26 -4.97 118.70 118.55 1a6x s GLU 141 Ca 0.50 -0.37 -0.31 0.00 0.00 0.00 0.00 54.97 54.79 1a6x s GLU 141 Cb -0.36 -3.63 -0.20 0.00 2.00 0.00 0.00 34.13 31.94 1a6x s GLU 141 CO 0.44 -0.21 2.43 0.45 -0.56 0.00 0.00 175.26 177.81 1a6x n SER 142 N 5.05 0.35 0.00 -1.70 2.88 -1.26 0.20 113.62 119.14 1a6x n SER 142 Ca -0.14 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1a6x n SER 142 Cb 0.52 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1a6x n SER 142 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6x n GLY 143 N 6.26 1.15 3.87 0.46 0.00 0.22 -4.87 105.19 112.28 1a6x n GLY 143 Ca 0.60 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.31 1a6x n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a6x s GLN 144 N 0.00 3.87 0.50 1.61 1.11 0.53 -4.81 119.66 122.46 1a6x s GLN 144 Ca 0.00 0.48 -0.20 0.00 0.01 0.00 0.00 55.36 55.66 1a6x s GLN 144 Cb 0.00 -2.48 -0.08 0.00 -1.01 0.00 0.00 33.01 29.45 1a6x s GLN 144 CO 0.00 0.13 1.04 -1.25 0.01 0.00 0.00 175.29 175.22 1a6x s PRO 145 N -3.25 3.75 0.25 2.91 0.04 -1.26 -0.56 135.00 136.88 1a6x s PRO 145 Ca 0.51 1.33 0.11 0.00 0.04 0.00 0.00 61.00 63.00 1a6x s PRO 145 Cb -0.10 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1a6x s PRO 145 CO 0.23 -0.47 -0.19 0.14 0.04 0.00 0.00 177.00 176.76 1a6x s VAL 146 N -2.05 2.58 0.19 -0.36 -7.23 0.10 -4.79 120.40 108.84 1a6x s VAL 146 Ca 0.67 -2.22 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 1a6x s VAL 146 Cb -0.16 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 1a6x s VAL 146 CO 0.22 -0.31 0.01 -1.61 -0.31 0.00 0.00 175.10 173.10 1a6x s GLU 147 N -3.27 1.17 0.34 4.82 2.02 -1.26 -1.33 118.70 121.19 1a6x s GLU 147 Ca 0.27 -1.58 -0.29 0.00 0.02 0.00 0.00 54.97 53.40 1a6x s GLU 147 Cb -0.06 -0.32 -0.11 0.00 0.10 0.00 0.00 34.13 33.74 1a6x s GLU 147 CO 0.14 -0.14 1.49 0.34 0.02 0.00 0.00 175.26 177.11 1a6x n PHE 148 N -0.29 2.84 -1.41 1.61 7.35 -1.26 -0.78 117.46 125.53 1a6x n PHE 148 Ca -0.06 0.40 -0.15 0.00 -0.76 0.00 0.00 57.45 56.89 1a6x n PHE 148 Cb 0.64 -2.53 -0.06 0.00 0.35 0.00 0.00 39.48 37.87 1a6x n PHE 148 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1a6x n ASP 149 N 1.04 -4.28 -4.76 -2.13 5.68 -1.15 -4.91 116.55 106.05 1a6x n ASP 149 Ca 0.04 0.36 -0.39 0.00 -0.50 0.00 0.00 54.79 54.30 1a6x n ASP 149 Cb 0.38 -3.77 -0.05 0.00 -1.14 0.00 0.00 41.12 36.53 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 -3.21 4.41 0.33 0.11 2.56 0.04 -4.88 118.70 118.06 1a6x s GLU 150 Ca 0.00 0.91 -0.27 0.00 0.00 0.00 0.00 54.97 55.61 1a6x s GLU 150 Cb 0.00 -3.35 -0.09 0.00 2.00 0.00 0.00 34.13 32.69 1a6x s GLU 150 CO 0.00 0.34 1.07 -1.25 -0.56 0.00 0.00 175.26 174.86 1a6x s PRO 151 N -0.19 4.46 0.00 4.30 0.04 -1.26 0.25 135.00 142.60 1a6x s PRO 151 Ca 0.35 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1a6x s PRO 151 Cb -0.20 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1a6x s PRO 151 CO 0.20 0.09 0.00 1.28 0.04 0.00 0.00 177.00 178.61 1a6x n LEU 152 N 0.70 0.00 -4.45 -3.56 4.77 0.25 -4.66 117.00 110.06 1a6x n LEU 152 Ca 0.01 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 1a6x n LEU 152 Cb 0.47 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1a6x n LEU 152 CO 0.50 0.00 -0.52 -0.69 -1.33 0.00 0.00 177.39 175.35 1a6x s VAL 153 N 0.00 2.59 -0.19 4.08 1.01 -1.23 -1.03 120.40 125.63 1a6x s VAL 153 Ca 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 61.98 60.29 1a6x s VAL 153 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1a6x s VAL 153 CO 0.00 0.08 0.02 -0.69 0.00 0.00 0.00 175.10 174.51 1a6x s VAL 154 N -1.14 4.24 0.29 2.92 1.01 0.47 0.99 120.40 129.18 1a6x s VAL 154 Ca 0.17 -0.22 0.11 0.00 0.00 0.00 0.00 61.98 62.03 1a6x s VAL 154 Cb -0.10 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1a6x s VAL 154 CO 0.09 0.44 -0.11 -0.63 0.00 0.00 0.00 175.10 174.88 1a6x s ILE 155 N 0.78 2.67 -1.45 2.22 1.09 0.04 0.81 121.20 127.36 1a6x s ILE 155 Ca 0.01 -2.22 0.12 0.00 -1.10 0.00 0.00 60.65 57.46 1a6x s ILE 155 Cb -0.14 -2.53 0.09 0.00 -1.06 0.00 0.00 42.46 38.82 1a6x s ILE 155 CO 0.02 -0.34 0.87 1.21 -0.10 0.00 0.00 174.94 176.60