#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5x s LEU 55 N 0.00 0.52 0.00 0.99 1.43 -1.26 -5.10 118.68 115.25 1a5x s LEU 55 Ca 0.00 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 1a5x s LEU 55 Cb 0.00 -0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.04 1a5x s LEU 55 CO 0.00 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.81 1a5x n GLY 56 N 4.84 1.62 3.78 -3.19 0.00 -1.26 -5.16 105.19 105.82 1a5x n GLY 56 Ca 0.01 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 1a5x n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5x s PRO 57 N -2.00 4.49 0.59 1.61 0.04 -1.26 -5.01 135.00 133.45 1a5x s PRO 57 Ca 0.00 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.21 1a5x s PRO 57 Cb 0.00 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1a5x s PRO 57 CO 0.00 0.19 1.11 -0.51 0.04 0.00 0.00 177.00 177.83 1a5x s LEU 58 N -2.24 3.59 -1.12 -3.56 1.43 -1.26 -4.92 118.68 110.61 1a5x s LEU 58 Ca 0.52 2.06 -0.17 0.00 -1.03 0.00 0.00 54.13 55.51 1a5x s LEU 58 Cb -0.18 -4.56 0.12 0.00 0.03 0.00 0.00 46.19 41.59 1a5x s LEU 58 CO 0.24 -1.34 1.41 -1.10 0.23 0.00 0.00 176.35 175.79 1a5x s GLN 59 N -3.67 3.85 -0.10 1.70 -1.52 -1.26 -4.27 119.66 114.39 1a5x s GLN 59 Ca 0.69 -2.00 0.03 0.00 -1.95 0.00 0.00 55.36 52.13 1a5x s GLN 59 Cb -0.21 -5.17 0.01 0.00 -0.22 0.00 0.00 33.01 27.42 1a5x s GLN 59 CO 0.33 -1.94 -0.20 0.42 -0.25 0.00 0.00 175.29 173.64 1a5x s ILE 60 N 2.97 1.83 0.23 1.08 1.01 -1.26 -0.11 121.20 126.96 1a5x s ILE 60 Ca 0.43 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.26 1a5x s ILE 60 Cb -0.02 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 1a5x s ILE 60 CO -0.03 0.51 0.28 0.26 0.00 0.00 0.00 174.94 175.97 1a5x s TRP 61 N 0.58 3.32 -0.06 3.97 0.51 -0.70 -1.82 118.94 124.73 1a5x s TRP 61 Ca -0.14 -0.04 0.05 0.00 -2.12 0.00 0.00 56.10 53.84 1a5x s TRP 61 Cb -0.17 -1.51 -0.00 0.00 -0.81 0.00 0.00 33.47 30.98 1a5x s TRP 61 CO 0.04 0.48 -0.21 -0.65 -0.51 0.00 0.00 176.95 176.11 1a5x s GLN 62 N -3.82 2.30 0.02 4.98 -0.21 -0.18 -0.58 119.66 122.17 1a5x s GLN 62 Ca 0.33 -0.74 0.05 0.00 0.02 0.00 0.00 55.36 55.02 1a5x s GLN 62 Cb -0.09 -1.89 -0.02 0.00 1.00 0.00 0.00 33.01 32.01 1a5x s GLN 62 CO 0.27 0.25 -0.14 0.99 -2.12 0.00 0.00 175.29 174.53 1a5x s THR 63 N 0.12 1.14 0.17 -0.19 2.01 -0.79 -1.01 115.64 117.09 1a5x s THR 63 Ca -0.08 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 60.86 1a5x s THR 63 Cb -0.14 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.41 1a5x s THR 63 CO 0.04 0.13 0.51 -0.62 -0.69 0.00 0.00 174.62 173.99 1a5x s ASP 64 N -0.85 -0.34 -0.05 3.53 2.15 -0.77 -4.51 116.67 115.83 1a5x s ASP 64 Ca 0.03 -0.30 0.02 0.00 0.43 0.00 0.00 52.55 52.74 1a5x s ASP 64 Cb -0.07 0.56 -0.03 0.00 -0.30 0.00 0.00 42.92 43.08 1a5x s ASP 64 CO 0.01 -0.97 -0.09 -0.36 -0.17 0.00 0.00 175.17 173.58 1a5x s PHE 65 N -3.82 2.86 0.02 -5.34 0.08 -1.26 -1.09 117.98 109.42 1a5x s PHE 65 Ca 0.05 -0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.08 1a5x s PHE 65 Cb -0.00 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1a5x s PHE 65 CO -0.08 0.30 -0.07 -0.08 -0.10 0.00 0.00 175.22 175.18 1a5x s THR 66 N -0.83 0.55 -0.08 0.64 -1.32 -0.14 -4.99 115.64 109.47 1a5x s THR 66 Ca 0.13 -0.68 -0.19 0.00 -1.21 0.00 0.00 61.69 59.74 1a5x s THR 66 Cb -0.11 -0.54 -0.04 0.00 -1.51 0.00 0.00 72.50 70.30 1a5x s THR 66 CO 0.02 -0.11 0.54 -0.22 -2.21 0.00 0.00 174.62 172.64 1a5x s LEU 67 N -0.86 4.33 -0.33 9.08 2.96 -1.26 -1.01 118.68 131.58 1a5x s LEU 67 Ca -0.03 0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1a5x s LEU 67 Cb -0.06 -2.80 0.12 0.00 0.50 0.00 0.00 46.19 43.95 1a5x s LEU 67 CO 0.00 0.02 0.17 -0.70 -1.32 0.00 0.00 176.35 174.53 1a5x s GLU 68 N 0.36 0.48 0.63 1.98 2.56 0.15 -4.98 118.70 119.88 1a5x s GLU 68 Ca 0.29 -1.06 0.36 0.00 0.00 0.00 0.00 54.97 54.56 1a5x s GLU 68 Cb -0.16 -1.37 2.08 0.00 2.00 0.00 0.00 34.13 36.67 1a5x s GLU 68 CO 0.13 -1.12 2.28 -1.35 -0.56 0.00 0.00 175.26 174.64 1a5x h PRO 69 N 7.58 0.00 0.00 4.30 0.11 -1.97 -0.97 132.00 141.06 1a5x h PRO 69 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1a5x h PRO 69 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1a5x h PRO 69 CO 0.36 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.15 1a5x h ARG 70 N 0.00 0.00 -0.58 1.05 3.08 -1.94 -2.27 114.38 113.72 1a5x h ARG 70 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1a5x h ARG 70 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1a5x h ARG 70 CO -0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 1a5x n MET 71 N -2.83 3.13 -1.98 0.04 2.81 -0.37 -1.17 117.12 116.76 1a5x n MET 71 Ca -0.02 -2.61 -0.38 0.00 -1.81 0.00 0.00 57.70 52.89 1a5x n MET 71 Cb 0.11 -1.63 0.02 0.00 -0.71 0.00 0.00 33.22 31.02 1a5x n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5x s ALA 72 N -1.42 2.83 -0.71 3.04 0.00 -0.86 -2.24 121.76 122.41 1a5x s ALA 72 Ca 0.43 1.15 0.26 0.00 0.00 0.00 0.00 51.96 53.80 1a5x s ALA 72 Cb 0.25 -3.49 0.77 0.00 0.00 0.00 0.00 23.12 20.66 1a5x s ALA 72 CO 0.24 -1.10 1.76 -1.00 0.00 0.00 0.00 175.76 175.66 1a5x h PRO 73 N 1.59 0.00 -3.03 0.00 0.13 -1.94 -3.46 132.00 125.29 1a5x h PRO 73 Ca -0.50 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.84 1a5x h PRO 73 Cb 1.28 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.18 1a5x h PRO 73 CO 0.58 0.00 1.30 0.54 -0.23 0.00 0.00 178.00 180.19 1a5x n ARG 74 N -2.31 4.30 0.00 0.86 1.74 -0.95 -4.60 116.66 115.70 1a5x n ARG 74 Ca 0.05 -4.17 0.14 0.00 -0.77 0.00 0.00 57.85 53.10 1a5x n ARG 74 Cb 0.44 -2.65 0.47 0.00 -1.02 0.00 0.00 32.46 29.70 1a5x n ARG 74 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1a5x n SER 75 N 2.03 1.66 -4.51 0.55 3.41 -1.15 -4.02 113.62 111.60 1a5x n SER 75 Ca 0.34 -1.53 -0.43 0.00 -0.26 0.00 0.00 58.87 56.99 1a5x n SER 75 Cb 0.33 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 1a5x n SER 75 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1a5x s TRP 76 N -2.02 2.93 -0.21 7.33 0.52 -0.52 -0.67 118.94 126.29 1a5x s TRP 76 Ca 0.36 -0.11 -0.19 0.00 0.02 0.00 0.00 56.10 56.18 1a5x s TRP 76 Cb 0.21 -3.78 -0.03 0.00 -1.15 0.00 0.00 33.47 28.71 1a5x s TRP 76 CO 0.34 -1.15 0.53 -0.51 0.02 0.00 0.00 176.95 176.18 1a5x s LEU 77 N 3.37 4.13 -0.13 2.99 1.43 -0.18 -0.18 118.68 130.11 1a5x s LEU 77 Ca 0.26 0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 53.87 1a5x s LEU 77 Cb -0.14 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1a5x s LEU 77 CO 0.18 -0.21 0.39 0.00 0.23 0.00 0.00 176.35 176.94 1a5x s ALA 78 N 1.80 3.54 -0.06 4.21 0.00 -0.35 -0.96 121.76 129.94 1a5x s ALA 78 Ca 0.24 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.92 1a5x s ALA 78 Cb -0.15 -2.52 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1a5x s ALA 78 CO 0.10 0.07 -0.14 0.08 0.00 0.00 0.00 175.76 175.86 1a5x s VAL 79 N 0.46 1.22 -0.10 0.00 1.01 -0.25 -1.94 120.40 120.80 1a5x s VAL 79 Ca 0.21 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1a5x s VAL 79 Cb -0.14 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1a5x s VAL 79 CO 0.07 0.37 -0.14 -0.89 0.00 0.00 0.00 175.10 174.51 1a5x s THR 80 N 0.41 1.42 -0.16 3.92 2.01 0.27 -1.85 115.64 121.65 1a5x s THR 80 Ca -0.10 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 1a5x s THR 80 Cb -0.14 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1a5x s THR 80 CO 0.03 0.42 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.69 1a5x s VAL 81 N 1.01 4.22 -0.45 3.82 1.01 -0.18 -1.01 120.40 128.83 1a5x s VAL 81 Ca -0.07 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 1a5x s VAL 81 Cb -0.15 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1a5x s VAL 81 CO -0.02 0.49 0.79 -0.62 0.00 0.00 0.00 175.10 175.74 1a5x s ASP 82 N 0.32 6.42 0.58 3.32 -1.08 -0.26 -1.01 116.67 124.96 1a5x s ASP 82 Ca -0.01 -0.08 0.36 0.00 -0.52 0.00 0.00 52.55 52.30 1a5x s ASP 82 Cb -0.13 -2.39 1.63 0.00 -1.46 0.00 0.00 42.92 40.57 1a5x s ASP 82 CO 0.02 -0.92 2.09 0.71 0.52 0.00 0.00 175.17 177.59 1a5x h THR 83 N 5.98 0.06 -0.07 1.71 1.35 -1.68 0.84 112.91 121.09 1a5x h THR 83 Ca -0.25 -0.41 -0.20 0.00 -0.55 0.00 0.00 66.41 65.00 1a5x h THR 83 Cb 1.09 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1a5x h THR 83 CO 0.96 0.02 -0.79 0.00 -0.25 0.00 0.00 175.52 175.46 1a5x h ALA 84 N 1.98 0.49 -0.00 6.62 0.00 -1.74 -3.36 119.26 123.25 1a5x h ALA 84 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1a5x h ALA 84 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1a5x h ALA 84 CO 0.00 0.76 -0.06 -1.13 0.00 0.00 0.00 179.25 178.82 1a5x n SER 85 N -3.83 0.47 -0.42 0.00 3.41 -0.93 -4.91 113.62 107.40 1a5x n SER 85 Ca -0.05 -0.74 -0.05 0.00 -0.26 0.00 0.00 58.87 57.76 1a5x n SER 85 Cb 0.74 0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 65.32 1a5x n SER 85 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a5x n SER 86 N -0.64 -5.53 -4.76 4.04 7.64 0.29 -4.98 113.62 109.67 1a5x n SER 86 Ca 0.01 0.14 -0.37 0.00 1.01 0.00 0.00 58.87 59.65 1a5x n SER 86 Cb 0.04 -3.51 0.01 0.00 -1.01 0.00 0.00 64.21 59.74 1a5x n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5x s ALA 87 N -1.58 2.89 -0.13 -0.43 0.00 -1.22 -4.74 121.76 116.55 1a5x s ALA 87 Ca 0.00 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.05 1a5x s ALA 87 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1a5x s ALA 87 CO 0.00 -0.93 -0.18 0.42 0.00 0.00 0.00 175.76 175.06 1a5x s ILE 88 N -1.47 2.49 -0.09 0.00 1.01 -1.26 -1.10 121.20 120.79 1a5x s ILE 88 Ca 0.67 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1a5x s ILE 88 Cb -0.33 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1a5x s ILE 88 CO 0.39 0.53 -0.18 -0.69 0.00 0.00 0.00 174.94 174.99 1a5x s VAL 89 N 0.58 2.64 -0.01 2.92 1.01 -0.18 -4.94 120.40 122.42 1a5x s VAL 89 Ca -0.11 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1a5x s VAL 89 Cb -0.16 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1a5x s VAL 89 CO 0.04 0.56 -0.04 0.54 0.00 0.00 0.00 175.10 176.19 1a5x s VAL 90 N -0.07 0.38 0.12 2.92 0.11 -1.26 -0.56 120.40 122.04 1a5x s VAL 90 Ca -0.04 -0.17 0.03 0.00 -2.93 0.00 0.00 61.98 58.87 1a5x s VAL 90 Cb -0.14 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1a5x s VAL 90 CO 0.04 0.13 -0.08 0.42 -3.33 0.00 0.00 175.10 172.27 1a5x s THR 91 N 0.11 0.92 0.07 5.04 -4.23 -0.82 -4.99 115.64 111.74 1a5x s THR 91 Ca -0.01 -1.95 0.07 0.00 -1.18 0.00 0.00 61.69 58.63 1a5x s THR 91 Cb -0.05 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.05 1a5x s THR 91 CO -0.00 -0.78 -0.15 0.00 -0.54 0.00 0.00 174.62 173.14 1a5x s GLN 92 N -3.66 2.07 0.04 3.99 -2.07 -1.26 -1.21 119.66 117.56 1a5x s GLN 92 Ca 0.13 -1.01 -0.00 0.00 -1.82 0.00 0.00 55.36 52.66 1a5x s GLN 92 Cb 0.03 -2.23 -0.03 0.00 -1.09 0.00 0.00 33.01 29.69 1a5x s GLN 92 CO -0.02 0.53 -0.04 -1.01 -1.32 0.00 0.00 175.29 173.43 1a5x s HIS 93 N -1.03 0.46 -0.01 9.60 3.76 0.75 -4.98 115.29 123.84 1a5x s HIS 93 Ca 0.17 -0.83 0.11 0.00 -0.15 0.00 0.00 55.06 54.36 1a5x s HIS 93 Cb -0.11 -0.33 -0.11 0.00 1.11 0.00 0.00 32.58 33.15 1a5x s HIS 93 CO 0.08 -0.28 1.27 0.78 -0.85 0.00 0.00 174.74 175.75 1a5x h GLY 94 N 3.75 0.00 -3.48 -2.22 0.00 -1.84 -1.35 103.07 97.93 1a5x h GLY 94 Ca -0.33 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 1a5x h GLY 94 CO 0.55 0.00 -0.44 0.50 0.00 0.00 0.00 176.54 177.16 1a5x s ARG 95 N -2.81 0.74 -0.83 4.80 1.81 -1.26 -4.77 118.95 116.64 1a5x s ARG 95 Ca 0.01 -0.88 -0.15 0.00 -1.72 0.00 0.00 55.73 52.99 1a5x s ARG 95 Cb 0.09 0.30 0.19 0.00 -0.45 0.00 0.00 34.95 35.08 1a5x s ARG 95 CO 0.79 -0.21 0.83 0.08 -0.68 0.00 0.00 175.30 176.11 1a5x s VAL 96 N -3.38 5.36 0.45 3.52 1.01 -1.26 -4.77 120.40 121.33 1a5x s VAL 96 Ca 0.01 -2.16 0.05 0.00 0.00 0.00 0.00 61.98 59.88 1a5x s VAL 96 Cb 0.03 -4.53 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 1a5x s VAL 96 CO -0.08 -1.13 0.01 0.42 0.00 0.00 0.00 175.10 174.31 1a5x s THR 97 N 0.91 1.68 0.23 3.92 -4.23 -1.26 -4.81 115.64 112.08 1a5x s THR 97 Ca 0.20 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.66 1a5x s THR 97 Cb -0.10 -2.67 0.19 0.00 1.34 0.00 0.00 72.50 71.25 1a5x s THR 97 CO -0.08 0.00 1.83 0.28 -0.54 0.00 0.00 174.62 176.11 1a5x h SER 98 N 1.60 1.08 -0.26 3.99 0.02 -1.90 -2.35 113.55 115.74 1a5x h SER 98 Ca -0.44 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.25 1a5x h SER 98 Cb 1.27 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1a5x h SER 98 CO 0.78 0.91 -0.31 0.58 -1.14 0.00 0.00 176.83 177.65 1a5x h VAL 99 N 1.18 1.28 -0.43 2.27 2.07 -1.96 -1.69 116.25 118.97 1a5x h VAL 99 Ca 0.28 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.35 1a5x h VAL 99 Cb 0.12 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1a5x h VAL 99 CO -0.04 0.48 0.28 0.00 0.02 0.00 0.00 177.57 178.31 1a5x h ALA 100 N 0.99 0.55 -0.67 1.67 0.00 -1.74 -0.39 119.26 119.66 1a5x h ALA 100 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1a5x h ALA 100 Cb 0.85 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1a5x h ALA 100 CO 0.07 -0.02 0.42 0.00 0.00 0.00 0.00 179.25 179.72 1a5x h ALA 101 N 1.17 0.87 -0.45 0.00 0.00 -1.14 -1.39 119.26 118.32 1a5x h ALA 101 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1a5x h ALA 101 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1a5x h ALA 101 CO -0.05 0.18 0.18 1.96 0.00 0.00 0.00 179.25 181.53 1a5x h GLN 102 N 0.82 0.68 -0.76 0.00 4.20 -1.03 -0.63 115.11 118.40 1a5x h GLN 102 Ca 0.27 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1a5x h GLN 102 Cb 0.01 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1a5x h GLN 102 CO -0.10 0.62 0.47 0.45 -0.67 0.00 0.00 178.83 179.60 1a5x h HIS 103 N 0.59 0.98 0.05 2.96 3.86 -0.89 -1.29 115.15 121.41 1a5x h HIS 103 Ca 0.15 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1a5x h HIS 103 Cb 0.19 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 1a5x h HIS 103 CO 0.00 0.64 -0.04 1.25 0.86 0.00 0.00 177.93 180.65 1a5x h HIS 104 N 1.03 -0.10 -0.09 2.45 -0.00 -0.99 -2.28 115.15 115.16 1a5x h HIS 104 Ca 0.27 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.58 1a5x h HIS 104 Cb -0.07 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 1a5x h HIS 104 CO -0.01 -0.06 -0.23 -1.49 -0.00 0.00 0.00 177.93 176.13 1a5x h TRP 105 N -0.09 0.16 -0.75 5.26 6.55 -0.94 -0.06 115.95 126.09 1a5x h TRP 105 Ca 0.00 -0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.79 1a5x h TRP 105 Cb 0.09 -0.04 -0.03 0.00 -0.86 0.00 0.00 29.16 28.31 1a5x h TRP 105 CO -0.09 0.38 0.37 0.00 -1.05 0.00 0.00 178.44 178.05 1a5x h ALA 106 N 1.63 0.96 -0.20 1.49 0.00 -1.01 0.17 119.26 122.29 1a5x h ALA 106 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1a5x h ALA 106 Cb 0.49 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a5x h ALA 106 CO 0.03 0.51 0.03 1.15 0.00 0.00 0.00 179.25 180.97 1a5x h THR 107 N 1.04 1.22 -0.53 0.00 2.02 -0.79 -2.41 112.91 113.46 1a5x h THR 107 Ca 0.26 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1a5x h THR 107 Cb 0.09 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1a5x h THR 107 CO -0.04 0.23 0.22 0.00 0.37 0.00 0.00 175.52 176.30 1a5x h ALA 108 N 0.83 1.38 -0.63 6.16 0.00 -0.47 -1.85 119.26 124.69 1a5x h ALA 108 Ca 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1a5x h ALA 108 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1a5x h ALA 108 CO 0.00 0.47 0.02 0.82 0.00 0.00 0.00 179.25 180.56 1a5x h ILE 109 N 0.76 1.27 -0.10 0.00 2.04 -0.61 0.29 117.51 121.15 1a5x h ILE 109 Ca 0.18 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 1a5x h ILE 109 Cb 0.14 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1a5x h ILE 109 CO -0.02 0.42 -0.18 0.00 0.00 0.00 0.00 178.15 178.37 1a5x h ALA 110 N 1.00 1.52 0.10 1.87 0.00 -0.86 0.01 119.26 122.90 1a5x h ALA 110 Ca 0.18 -0.22 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 1a5x h ALA 110 Cb 0.55 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1a5x h ALA 110 CO 0.03 0.35 -1.85 0.28 0.00 0.00 0.00 179.25 178.06 1a5x h VAL 111 N 0.16 0.77 0.00 0.00 2.07 -0.78 -3.41 116.25 115.05 1a5x h VAL 111 Ca 0.03 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1a5x h VAL 111 Cb 0.41 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1a5x h VAL 111 CO 0.03 0.79 -1.22 0.18 0.02 0.00 0.00 177.57 177.37 1a5x n LEU 112 N -3.39 0.13 0.00 2.57 4.77 0.97 -5.10 117.00 116.95 1a5x n LEU 112 Ca -0.26 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1a5x n LEU 112 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1a5x n LEU 112 CO 0.45 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1a5x n GLY 113 N 1.72 -4.14 3.64 -0.72 0.00 -0.01 -4.90 105.19 100.78 1a5x n GLY 113 Ca -0.01 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1a5x n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5x s ARG 114 N -0.99 4.16 0.77 1.61 3.52 -1.26 -4.36 118.95 122.40 1a5x s ARG 114 Ca 0.00 0.69 -0.12 0.00 -0.13 0.00 0.00 55.73 56.18 1a5x s ARG 114 Cb 0.00 -3.63 0.06 0.00 -1.56 0.00 0.00 34.95 29.82 1a5x s ARG 114 CO 0.00 -0.41 1.13 -1.25 -0.81 0.00 0.00 175.30 173.96 1a5x s PRO 115 N 2.47 2.27 0.06 5.12 0.04 -1.26 -5.00 135.00 138.71 1a5x s PRO 115 Ca 0.30 0.37 -0.03 0.00 0.04 0.00 0.00 61.00 61.69 1a5x s PRO 115 Cb -0.16 -1.96 -0.27 0.00 0.04 0.00 0.00 34.50 32.15 1a5x s PRO 115 CO 0.09 -1.43 1.08 0.87 0.04 0.00 0.00 177.00 177.65 1a5x h LYS 116 N -0.94 0.23 -3.26 4.56 1.79 -0.89 -3.45 116.57 114.61 1a5x h LYS 116 Ca -0.46 -0.40 -0.07 0.00 -2.18 0.00 0.00 60.65 57.54 1a5x h LYS 116 Cb 1.29 0.15 -0.15 0.00 -1.58 0.00 0.00 32.23 31.94 1a5x h LYS 116 CO 0.63 1.16 -0.11 0.00 -1.08 0.00 0.00 179.45 180.05 1a5x s ALA 117 N -2.65 -0.92 -0.06 3.86 0.00 -1.15 -1.86 121.76 118.99 1a5x s ALA 117 Ca -0.05 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.02 1a5x s ALA 117 Cb 0.07 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1a5x s ALA 117 CO 0.87 -0.55 -0.14 0.42 0.00 0.00 0.00 175.76 176.36 1a5x s ILE 118 N -3.20 1.22 -0.18 0.00 1.01 -0.10 -1.72 121.20 118.23 1a5x s ILE 118 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 1a5x s ILE 118 Cb 0.01 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1a5x s ILE 118 CO -0.08 0.37 0.09 -0.54 0.00 0.00 0.00 174.94 174.79 1a5x s LYS 119 N 0.46 3.98 0.28 2.79 1.02 0.26 -1.20 119.74 127.32 1a5x s LYS 119 Ca -0.11 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 55.63 1a5x s LYS 119 Cb -0.14 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1a5x s LYS 119 CO 0.03 0.35 0.19 0.95 -0.92 0.00 0.00 175.35 175.95 1a5x s THR 120 N 0.19 0.11 0.00 2.17 -4.23 -1.06 -1.88 115.64 110.94 1a5x s THR 120 Ca 0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1a5x s THR 120 Cb -0.12 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1a5x s THR 120 CO -0.00 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.18 1a5x n ASP 121 N -0.94 -0.01 -1.86 3.99 5.68 -1.26 -4.22 116.55 117.93 1a5x n ASP 121 Ca 0.04 -0.14 -0.19 0.00 -0.50 0.00 0.00 54.79 54.00 1a5x n ASP 121 Cb 0.64 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.78 1a5x n ASP 121 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1a5x n ASN 122 N -0.44 4.02 -4.73 -1.12 3.02 -1.26 -4.86 115.26 109.90 1a5x n ASN 122 Ca 0.00 -3.72 -0.39 0.00 -0.03 0.00 0.00 54.58 50.44 1a5x n ASN 122 Cb 0.00 -0.76 0.03 0.00 -0.61 0.00 0.00 39.78 38.44 1a5x n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a5x n GLY 123 N -1.07 0.70 0.30 7.41 0.00 -1.26 -4.76 105.19 106.50 1a5x n GLY 123 Ca 0.50 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.63 1a5x n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a5x h SER 124 N 1.73 0.52 0.14 1.61 4.64 -1.97 0.25 113.55 120.47 1a5x h SER 124 Ca -0.50 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1a5x h SER 124 Cb 1.30 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1a5x h SER 124 CO 0.58 0.44 0.00 0.00 -0.87 0.00 0.00 176.83 176.98 1a5x n PHE 126 N -2.68 0.00 0.11 0.00 3.72 0.82 -4.44 117.46 114.99 1a5x n PHE 126 Ca -0.02 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.43 1a5x n PHE 126 Cb 0.09 -0.50 0.08 0.00 -0.94 0.00 0.00 39.48 38.20 1a5x n PHE 126 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1a5x n THR 127 N -2.25 0.51 -1.01 4.37 -2.24 -0.91 -4.64 114.28 108.10 1a5x n THR 127 Ca -0.05 -0.75 -0.31 0.00 -2.27 0.00 0.00 64.05 60.67 1a5x n THR 127 Cb 0.58 0.83 0.13 0.00 -2.10 0.00 0.00 70.33 69.77 1a5x n THR 127 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a5x s SER 128 N -0.86 3.78 0.20 3.42 1.04 -0.77 -4.82 113.70 115.70 1a5x s SER 128 Ca 0.14 2.00 -0.11 0.00 0.48 0.00 0.00 55.95 58.46 1a5x s SER 128 Cb 0.08 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.79 1a5x s SER 128 CO 0.11 -2.53 1.83 0.50 0.98 0.00 0.00 173.24 174.14 1a5x h LYS 129 N -1.46 0.98 -0.23 4.02 3.64 -1.95 -0.51 116.57 121.07 1a5x h LYS 129 Ca -0.43 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 58.90 1a5x h LYS 129 Cb 1.25 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1a5x h LYS 129 CO 0.47 0.70 -0.12 1.03 -2.27 0.00 0.00 179.45 179.27 1a5x h SER 130 N 0.98 -0.39 0.02 4.20 0.87 -1.98 -0.31 113.55 116.94 1a5x h SER 130 Ca 0.26 0.09 -0.18 0.00 -1.23 0.00 0.00 61.79 60.73 1a5x h SER 130 Cb -0.01 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1a5x h SER 130 CO -0.05 -0.15 -0.64 0.74 -0.53 0.00 0.00 176.83 176.20 1a5x h THR 131 N -0.09 1.32 -0.70 2.23 2.02 -1.79 -0.87 112.91 115.04 1a5x h THR 131 Ca 0.12 -1.91 0.05 0.00 0.77 0.00 0.00 66.41 65.45 1a5x h THR 131 Cb 0.28 1.88 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 1a5x h THR 131 CO -0.29 0.59 0.40 -0.09 0.37 0.00 0.00 175.52 176.51 1a5x h ARG 132 N 0.43 0.73 -0.13 6.66 2.43 -0.83 -1.26 114.38 122.41 1a5x h ARG 132 Ca -0.01 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.92 1a5x h ARG 132 Cb 1.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1a5x h ARG 132 CO 0.12 0.48 -0.72 1.49 -1.51 0.00 0.00 179.97 179.83 1a5x h GLU 133 N 0.75 0.60 -0.65 0.20 4.57 -0.87 -1.89 114.58 117.28 1a5x h GLU 133 Ca 0.31 -0.47 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 1a5x h GLU 133 Cb 0.16 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1a5x h GLU 133 CO -0.17 1.09 0.24 2.35 -1.18 0.00 0.00 179.01 181.34 1a5x h TRP 134 N 0.42 1.02 -0.30 0.92 7.01 -0.82 0.12 115.95 124.31 1a5x h TRP 134 Ca -0.03 -0.09 -0.12 0.00 2.11 0.00 0.00 58.89 60.76 1a5x h TRP 134 Cb 1.31 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 28.06 1a5x h TRP 134 CO 0.06 0.81 -0.31 -0.07 -2.79 0.00 0.00 178.44 176.13 1a5x h LEU 135 N 0.93 0.66 -0.53 0.65 3.38 -1.18 -2.46 115.31 116.77 1a5x h LEU 135 Ca 0.22 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1a5x h LEU 135 Cb 0.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1a5x h LEU 135 CO -0.01 0.93 0.05 0.00 0.09 0.00 0.00 178.44 179.50 1a5x h ALA 136 N 1.11 0.70 -0.74 1.53 0.00 -0.94 -0.67 119.26 120.24 1a5x h ALA 136 Ca 0.06 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1a5x h ALA 136 Cb 0.81 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1a5x h ALA 136 CO 0.07 0.48 0.49 -0.09 0.00 0.00 0.00 179.25 180.19 1a5x h ARG 137 N 0.78 0.78 0.00 0.00 2.43 -0.46 -1.82 114.38 116.09 1a5x h ARG 137 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1a5x h ARG 137 Cb 0.46 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1a5x h ARG 137 CO 0.02 0.51 -0.29 0.91 -1.51 0.00 0.00 179.97 179.61 1a5x n TRP 138 N -4.48 0.14 -2.37 2.20 7.02 -0.86 -4.96 117.44 114.13 1a5x n TRP 138 Ca 0.11 0.04 -0.08 0.00 -1.02 0.00 0.00 57.50 56.55 1a5x n TRP 138 Cb 0.21 -0.44 0.01 0.00 -2.42 0.00 0.00 31.31 28.66 1a5x n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a5x n GLY 139 N 1.47 0.15 3.50 6.99 0.00 -0.34 -5.03 105.19 111.93 1a5x n GLY 139 Ca 0.06 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1a5x n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5x s ILE 140 N -2.60 3.99 0.48 -0.61 1.01 -0.70 -4.98 121.20 117.80 1a5x s ILE 140 Ca 0.06 -0.32 -0.21 0.00 0.00 0.00 0.00 60.65 60.19 1a5x s ILE 140 Cb -0.03 -2.77 -0.08 0.00 0.01 0.00 0.00 42.46 39.59 1a5x s ILE 140 CO 0.08 0.48 1.06 0.00 0.00 0.00 0.00 174.94 176.56 1a5x s ALA 141 N 0.50 2.88 -0.09 9.38 0.00 -0.77 -4.51 121.76 129.15 1a5x s ALA 141 Ca -0.02 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1a5x s ALA 141 Cb -0.14 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1a5x s ALA 141 CO 0.02 -0.39 -0.17 -1.58 0.00 0.00 0.00 175.76 173.65 1a5x s HIS 142 N -1.87 1.97 0.15 0.00 2.46 -1.26 -0.92 115.29 115.82 1a5x s HIS 142 Ca 0.66 -0.83 0.03 0.00 0.47 0.00 0.00 55.06 55.40 1a5x s HIS 142 Cb -0.19 -1.38 -0.01 0.00 -0.13 0.00 0.00 32.58 30.86 1a5x s HIS 142 CO 0.23 -0.39 0.12 -2.37 -2.47 0.00 0.00 174.74 169.86 1a5x n THR 143 N 3.86 0.00 -3.90 0.89 5.66 -0.34 -4.96 114.28 115.48 1a5x n THR 143 Ca -0.20 -1.07 -0.08 0.00 -3.05 0.00 0.00 64.05 59.64 1a5x n THR 143 Cb 0.52 0.51 -0.02 0.00 -1.55 0.00 0.00 70.33 69.79 1a5x n THR 143 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1a5x n THR 144 N -0.30 0.00 -0.91 1.09 -1.04 -1.26 -2.58 114.28 109.28 1a5x n THR 144 Ca 0.03 -0.95 -0.33 0.00 -2.04 0.00 0.00 64.05 60.76 1a5x n THR 144 Cb 0.27 0.54 0.13 0.00 -1.82 0.00 0.00 70.33 69.45 1a5x n THR 144 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a5x n GLY 145 N -0.29 -0.81 3.87 3.41 0.00 -1.26 -4.90 105.19 105.21 1a5x n GLY 145 Ca 0.01 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1a5x n GLY 145 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1a5x s ILE 146 N -2.32 5.11 0.00 -0.61 -4.36 -1.26 -5.10 121.20 112.66 1a5x s ILE 146 Ca 0.66 0.41 0.00 0.00 -0.26 0.00 0.00 60.65 61.46 1a5x s ILE 146 Cb -0.26 -3.64 0.00 0.00 1.25 0.00 0.00 42.46 39.81 1a5x s ILE 146 CO 0.58 0.28 0.00 -0.81 0.24 0.00 0.00 174.94 175.23 1a5x n PRO 147 N 0.88 -0.07 -2.49 0.37 -0.04 -1.26 -4.12 135.00 128.28 1a5x n PRO 147 Ca -0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.36 1a5x n PRO 147 Cb 0.52 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.99 1a5x n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5x n GLY 148 N 3.41 0.70 2.46 0.55 0.00 -1.26 -3.75 105.19 107.31 1a5x n GLY 148 Ca 0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 1a5x n GLY 148 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a5x n ASN 149 N 0.47 -5.44 -4.58 1.61 4.13 -1.26 -4.91 115.26 105.27 1a5x n ASN 149 Ca -0.01 0.23 -0.42 0.00 1.68 0.00 0.00 54.58 56.06 1a5x n ASN 149 Cb 0.51 -4.56 -0.03 0.00 -1.54 0.00 0.00 39.78 34.16 1a5x n ASN 149 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1a5x s SER 150 N -2.46 5.93 -1.10 6.41 0.01 -1.25 -4.93 113.70 116.31 1a5x s SER 150 Ca 0.00 0.73 -0.16 0.00 1.31 0.00 0.00 55.95 57.83 1a5x s SER 150 Cb 0.00 -2.54 0.16 0.00 0.21 0.00 0.00 66.02 63.85 1a5x s SER 150 CO 0.00 -1.78 1.31 -1.10 0.41 0.00 0.00 173.24 172.08 1a5x s GLN 151 N 5.74 3.91 0.00 12.44 -1.52 -1.26 -4.83 119.66 134.14 1a5x s GLN 151 Ca 0.66 -2.29 0.00 0.00 -1.95 0.00 0.00 55.36 51.78 1a5x s GLN 151 Cb -0.15 -5.00 0.00 0.00 -0.22 0.00 0.00 33.01 27.64 1a5x s GLN 151 CO 0.29 -1.76 0.00 0.41 -0.25 0.00 0.00 175.29 173.97 1a5x n GLY 152 N 4.61 -1.62 3.58 3.09 0.00 -1.26 -4.76 105.19 108.83 1a5x n GLY 152 Ca 0.32 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 1a5x n GLY 152 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a5x s GLN 153 N -4.69 1.61 0.18 1.61 -2.07 -1.26 -4.82 119.66 110.22 1a5x s GLN 153 Ca 0.00 -0.63 -0.13 0.00 -1.82 0.00 0.00 55.36 52.78 1a5x s GLN 153 Cb 0.00 -5.06 0.17 0.00 -1.09 0.00 0.00 33.01 27.03 1a5x s GLN 153 CO 0.00 -4.98 1.74 0.00 -1.32 0.00 0.00 175.29 170.73 1a5x h ALA 154 N 11.07 0.58 -0.24 2.60 0.00 -1.99 -3.13 119.26 128.15 1a5x h ALA 154 Ca 0.08 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1a5x h ALA 154 Cb 0.98 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1a5x h ALA 154 CO 1.08 -0.24 -0.32 0.52 0.00 0.00 0.00 179.25 180.29 1a5x h MET 155 N 0.32 -0.32 0.00 0.00 2.86 -2.00 0.41 114.93 116.20 1a5x h MET 155 Ca 0.24 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1a5x h MET 155 Cb 0.26 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1a5x h MET 155 CO -0.26 -0.21 -0.11 -0.24 1.06 0.00 0.00 176.91 177.16 1a5x h VAL 156 N -0.33 0.56 -0.03 -2.22 3.04 -1.88 -0.59 116.25 114.80 1a5x h VAL 156 Ca 0.13 -0.47 -0.20 0.00 -1.01 0.00 0.00 66.70 65.14 1a5x h VAL 156 Cb 0.54 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1a5x h VAL 156 CO -0.43 0.10 -0.84 -0.33 -1.01 0.00 0.00 177.57 175.06 1a5x h GLU 157 N 0.00 0.37 -0.37 4.17 3.07 -0.32 -1.70 114.58 119.79 1a5x h GLU 157 Ca -0.00 -0.36 -0.15 0.00 -0.50 0.00 0.00 59.36 58.35 1a5x h GLU 157 Cb 0.30 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1a5x h GLU 157 CO 0.01 1.02 -0.34 -0.09 -1.40 0.00 0.00 179.01 178.22 1a5x h ARG 158 N 0.23 0.89 -0.49 2.33 2.43 0.36 -3.02 114.38 117.11 1a5x h ARG 158 Ca -0.05 -0.46 0.07 0.00 -0.81 0.00 0.00 59.98 58.73 1a5x h ARG 158 Cb 1.45 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.95 1a5x h ARG 158 CO 0.14 1.11 0.15 0.00 -1.51 0.00 0.00 179.97 179.86 1a5x h ALA 159 N 0.77 0.58 -0.56 2.80 0.00 -1.09 -0.51 119.26 121.25 1a5x h ALA 159 Ca 0.06 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1a5x h ALA 159 Cb 0.93 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 1a5x h ALA 159 CO 0.09 -0.25 0.05 -0.91 0.00 0.00 0.00 179.25 178.23 1a5x h ASN 160 N 0.31 -0.14 -0.15 0.00 2.35 -1.22 0.41 115.58 117.14 1a5x h ASN 160 Ca 0.24 0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1a5x h ASN 160 Cb 0.27 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1a5x h ASN 160 CO -0.26 -0.05 0.02 -0.09 -1.65 0.00 0.00 177.43 175.39 1a5x h ARG 161 N 0.17 0.25 -0.55 0.81 2.43 -1.29 -1.40 114.38 114.80 1a5x h ARG 161 Ca 0.29 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1a5x h ARG 161 Cb 0.45 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1a5x h ARG 161 CO -0.44 0.44 0.27 -0.07 -1.51 0.00 0.00 179.97 178.66 1a5x h LEU 162 N 0.01 0.68 -0.08 3.80 3.38 -0.78 -1.99 115.31 120.33 1a5x h LEU 162 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1a5x h LEU 162 Cb 0.32 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1a5x h LEU 162 CO 0.00 0.58 -0.04 0.25 0.09 0.00 0.00 178.44 179.32 1a5x h LEU 163 N 0.77 0.18 -1.23 1.67 5.85 -0.72 -1.42 115.31 120.42 1a5x h LEU 163 Ca 0.19 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1a5x h LEU 163 Cb 0.07 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1a5x h LEU 163 CO -0.03 0.56 -0.15 0.11 -0.34 0.00 0.00 178.44 178.59 1a5x h LYS 164 N -0.19 0.34 -0.23 1.25 1.57 -1.01 -0.72 116.57 117.58 1a5x h LYS 164 Ca 0.02 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1a5x h LYS 164 Cb 0.49 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1a5x h LYS 164 CO 0.01 0.50 0.01 -0.44 -0.57 0.00 0.00 179.45 178.95 1a5x h ASP 165 N 0.32 0.39 -0.85 0.86 3.32 -1.29 -1.45 116.42 117.72 1a5x h ASP 165 Ca 0.06 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1a5x h ASP 165 Cb 0.47 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 1a5x h ASP 165 CO 0.03 0.60 0.51 0.50 -1.72 0.00 0.00 179.24 179.16 1a5x h LYS 166 N 0.18 1.16 -0.41 3.56 1.63 -0.81 -1.27 116.57 120.60 1a5x h LYS 166 Ca 0.07 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1a5x h LYS 166 Cb 0.39 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 1a5x h LYS 166 CO 0.01 0.81 0.17 0.82 -3.45 0.00 0.00 179.45 177.82 1a5x h ILE 167 N 1.17 1.19 0.01 2.00 2.04 -0.96 -1.80 117.51 121.16 1a5x h ILE 167 Ca 0.30 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1a5x h ILE 167 Cb -0.04 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1a5x h ILE 167 CO -0.06 0.22 -0.05 -0.09 0.00 0.00 0.00 178.15 178.17 1a5x h ARG 168 N 0.53 -0.09 -0.32 2.37 2.43 -1.05 0.29 114.38 118.53 1a5x h ARG 168 Ca 0.14 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 1a5x h ARG 168 Cb 0.18 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1a5x h ARG 168 CO -0.01 -0.06 0.06 0.28 -1.51 0.00 0.00 179.97 178.73 1a5x h VAL 169 N -0.09 0.84 -0.42 0.20 2.07 -1.17 -0.38 116.25 117.30 1a5x h VAL 169 Ca 0.02 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1a5x h VAL 169 Cb 0.11 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1a5x h VAL 169 CO -0.04 0.03 -0.03 -0.07 0.02 0.00 0.00 177.57 177.48 1a5x h LEU 170 N 0.18 0.76 0.03 2.57 3.38 -1.27 -0.85 115.31 120.11 1a5x h LEU 170 Ca 0.15 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1a5x h LEU 170 Cb 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1a5x h LEU 170 CO -0.20 0.91 -0.01 0.00 0.09 0.00 0.00 178.44 179.23 1a5x h ALA 171 N 0.88 -0.04 0.00 1.53 0.00 -0.72 -1.89 119.26 119.03 1a5x h ALA 171 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1a5x h ALA 171 Cb 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1a5x h ALA 171 CO 0.03 -0.49 -0.29 0.93 0.00 0.00 0.00 179.25 179.42 1a5x h GLU 172 N -0.10 0.00 -0.42 0.00 5.08 -1.01 -0.34 114.58 117.80 1a5x h GLU 172 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1a5x h GLU 172 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1a5x h GLU 172 CO 0.01 0.29 -0.00 0.78 -1.00 0.00 0.00 179.01 179.09 1a5x h GLY 173 N 1.04 0.73 0.59 -3.84 0.00 -0.80 -0.33 103.07 100.46 1a5x h GLY 173 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1a5x h GLY 173 CO 0.04 0.43 -0.05 1.22 0.00 0.00 0.00 176.54 178.18 1a5x n ASP 174 N -4.24 0.59 0.00 0.19 8.00 -0.26 -4.91 116.55 115.91 1a5x n ASP 174 Ca 0.02 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1a5x n ASP 174 Cb 0.28 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1a5x n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5x n GLY 175 N 1.17 0.81 3.31 0.44 0.00 -0.13 -5.03 105.19 105.75 1a5x n GLY 175 Ca 0.19 -0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1a5x n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a5x s PHE 176 N -2.00 3.27 -0.54 1.61 0.08 -0.47 -4.90 117.98 115.03 1a5x s PHE 176 Ca 0.00 -1.29 0.24 0.00 0.12 0.00 0.00 56.93 55.99 1a5x s PHE 176 Cb 0.00 -3.60 0.27 0.00 -0.57 0.00 0.00 43.02 39.12 1a5x s PHE 176 CO 0.00 -0.96 1.28 0.52 -0.10 0.00 0.00 175.22 175.95 1a5x h MET 177 N 8.79 0.00 0.00 0.44 2.86 -1.90 -3.21 114.93 121.91 1a5x h MET 177 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1a5x h MET 177 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1a5x h MET 177 CO 0.98 0.00 0.00 1.63 1.06 0.00 0.00 176.91 180.58 1a5x n LYS 178 N -2.29 0.00 -2.31 1.72 4.76 -1.26 -5.04 118.16 113.74 1a5x n LYS 178 Ca 0.03 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 1a5x n LYS 178 Cb 0.47 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.63 1a5x n LYS 178 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1a5x s ARG 179 N 3.39 4.50 0.01 1.97 3.52 -1.26 -4.78 118.95 126.29 1a5x s ARG 179 Ca 0.00 1.98 -0.30 0.00 -0.13 0.00 0.00 55.73 57.28 1a5x s ARG 179 Cb 0.00 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 1a5x s ARG 179 CO 0.00 -0.01 1.02 0.42 -0.81 0.00 0.00 175.30 175.92 1a5x s ILE 180 N -0.86 4.72 0.26 4.11 1.01 -0.31 -4.96 121.20 125.16 1a5x s ILE 180 Ca 0.48 1.95 -0.29 0.00 0.00 0.00 0.00 60.65 62.80 1a5x s ILE 180 Cb -0.35 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 37.72 1a5x s ILE 180 CO 0.44 0.15 0.98 -2.65 0.00 0.00 0.00 174.94 173.86 1a5x n PRO 181 N 3.94 1.18 -0.19 2.79 -0.02 -1.26 -4.80 135.00 136.65 1a5x n PRO 181 Ca 0.07 0.42 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 1a5x n PRO 181 Cb 0.50 -1.77 0.37 0.00 -0.02 0.00 0.00 33.50 32.58 1a5x n PRO 181 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1a5x h THR 182 N 1.99 0.98 0.00 3.45 2.02 -1.94 -0.06 112.91 119.35 1a5x h THR 182 Ca -0.39 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1a5x h THR 182 Cb 1.35 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1a5x h THR 182 CO 0.62 0.13 0.00 -1.54 0.37 0.00 0.00 175.52 175.10 1a5x n SER 183 N -4.49 0.66 0.02 4.18 3.41 -1.26 -2.70 113.62 113.43 1a5x n SER 183 Ca 0.12 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.45 1a5x n SER 183 Cb 0.27 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.41 1a5x n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a5x n LYS 184 N -2.18 0.31 -0.09 4.33 4.01 -0.05 -4.66 118.16 119.84 1a5x n LYS 184 Ca 0.04 -0.04 -0.09 0.00 -0.51 0.00 0.00 58.31 57.70 1a5x n LYS 184 Cb 0.31 -1.57 -0.02 0.00 -0.51 0.00 0.00 35.03 33.24 1a5x n LYS 184 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1a5x h GLN 185 N 0.00 0.40 -0.62 1.97 4.20 -1.32 -2.84 115.11 116.90 1a5x h GLN 185 Ca 0.00 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1a5x h GLN 185 Cb 0.74 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1a5x h GLN 185 CO 0.00 0.34 0.38 0.78 -0.67 0.00 0.00 178.83 179.67 1a5x h GLY 186 N 0.35 0.89 1.70 3.46 0.00 -1.83 0.21 103.07 107.85 1a5x h GLY 186 Ca 0.10 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 1a5x h GLY 186 CO -0.02 0.24 -0.59 0.83 0.00 0.00 0.00 176.54 177.01 1a5x h GLU 187 N 0.75 0.31 -0.34 4.80 5.08 -1.88 -1.35 114.58 121.96 1a5x h GLU 187 Ca 0.25 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1a5x h GLU 187 Cb 0.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1a5x h GLU 187 CO -0.10 0.81 -0.41 1.25 -1.00 0.00 0.00 179.01 179.55 1a5x h LEU 188 N 0.24 0.90 -0.46 1.33 6.46 -1.22 0.75 115.31 123.31 1a5x h LEU 188 Ca -0.00 -0.42 -0.05 0.00 -0.12 0.00 0.00 57.88 57.28 1a5x h LEU 188 Cb 1.10 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 1a5x h LEU 188 CO 0.10 1.20 0.09 0.25 -0.62 0.00 0.00 178.44 179.45 1a5x h LEU 189 N 0.68 0.72 -1.01 2.25 5.85 -0.84 -1.52 115.31 121.44 1a5x h LEU 189 Ca 0.05 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1a5x h LEU 189 Cb 0.99 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1a5x h LEU 189 CO 0.10 0.78 0.33 0.00 -0.34 0.00 0.00 178.44 179.31 1a5x h ALA 190 N 0.96 1.23 -0.62 1.25 0.00 -1.11 -1.81 119.26 119.16 1a5x h ALA 190 Ca 0.14 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1a5x h ALA 190 Cb 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1a5x h ALA 190 CO 0.01 0.58 0.05 -0.22 0.00 0.00 0.00 179.25 179.67 1a5x h LYS 191 N 1.02 1.06 -0.76 0.00 3.64 -0.51 -1.01 116.57 120.01 1a5x h LYS 191 Ca 0.25 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1a5x h LYS 191 Cb 0.13 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1a5x h LYS 191 CO -0.03 1.01 0.27 0.00 -2.27 0.00 0.00 179.45 178.43 1a5x h ALA 192 N 1.01 0.99 -0.29 5.00 0.00 -0.94 -0.78 119.26 124.25 1a5x h ALA 192 Ca 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1a5x h ALA 192 Cb 0.50 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1a5x h ALA 192 CO 0.02 0.64 0.07 1.98 0.00 0.00 0.00 179.25 181.97 1a5x h MET 193 N 1.11 0.46 -0.54 0.00 1.85 -1.16 -1.21 114.93 115.45 1a5x h MET 193 Ca 0.25 -0.11 0.05 0.00 -0.61 0.00 0.00 59.70 59.28 1a5x h MET 193 Cb 0.26 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.18 1a5x h MET 193 CO -0.01 0.54 0.27 -0.92 -0.40 0.00 0.00 176.91 176.39 1a5x h TYR 194 N 0.30 0.49 -0.75 1.39 3.20 -1.04 -2.41 116.97 118.15 1a5x h TYR 194 Ca 0.09 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1a5x h TYR 194 Cb 0.29 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1a5x h TYR 194 CO 0.01 0.23 0.24 0.00 -1.64 0.00 0.00 178.16 177.00 1a5x h ALA 195 N 1.30 1.00 0.00 1.82 0.00 -0.79 0.23 119.26 122.82 1a5x h ALA 195 Ca 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1a5x h ALA 195 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1a5x h ALA 195 CO -0.17 0.67 -0.17 -0.07 0.00 0.00 0.00 179.25 179.51 1a5x h LEU 196 N 1.12 0.00 0.00 0.00 3.38 -1.07 -3.36 115.31 115.38 1a5x h LEU 196 Ca 0.24 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.86 1a5x h LEU 196 Cb 0.30 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1a5x h LEU 196 CO -0.01 0.17 -2.25 0.59 0.09 0.00 0.00 178.44 177.03 1a5x n ASN 197 N -3.31 1.92 -4.71 -0.43 3.02 -0.92 -4.89 115.26 105.95 1a5x n ASN 197 Ca 0.00 0.11 -0.25 0.00 -0.03 0.00 0.00 54.58 54.41 1a5x n ASN 197 Cb 0.41 -0.53 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 1a5x n ASN 197 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1a5x s HIS 198 N -2.42 2.90 0.00 3.10 3.76 0.79 -5.07 115.29 118.35 1a5x s HIS 198 Ca -0.31 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1a5x s HIS 198 Cb 0.10 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.43 1a5x s HIS 198 CO 0.44 0.54 0.00 1.19 -0.85 0.00 0.00 174.74 176.06