#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b92 n SER 57 N 0.00 2.78 0.03 0.00 2.88 -1.26 -4.74 113.62 113.31 1b92 n SER 57 Ca 0.00 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.78 1b92 n SER 57 Cb 0.00 -1.43 0.41 0.00 -0.75 0.00 0.00 64.21 62.44 1b92 n SER 57 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1b92 n PRO 58 N 2.05 0.05 -0.32 -1.46 -0.04 -1.26 -3.24 135.00 130.78 1b92 n PRO 58 Ca 0.12 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1b92 n PRO 58 Cb 0.31 -1.58 0.29 0.00 -0.04 0.00 0.00 33.50 32.48 1b92 n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b92 n GLY 59 N 0.37 2.29 3.72 0.55 0.00 -1.26 -4.94 105.19 105.92 1b92 n GLY 59 Ca 0.04 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1b92 n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b92 s ILE 60 N -1.13 5.32 0.12 -0.61 1.01 -1.20 -0.62 121.20 124.08 1b92 s ILE 60 Ca 0.46 0.48 0.07 0.00 0.00 0.00 0.00 60.65 61.66 1b92 s ILE 60 Cb 0.25 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1b92 s ILE 60 CO 0.33 0.38 -0.16 0.26 0.00 0.00 0.00 174.94 175.75 1b92 s TRP 61 N 0.58 1.49 -0.13 3.97 0.52 -0.62 -2.41 118.94 122.36 1b92 s TRP 61 Ca 0.15 -0.50 0.02 0.00 0.02 0.00 0.00 56.10 55.78 1b92 s TRP 61 Cb -0.13 -0.79 -0.00 0.00 -1.15 0.00 0.00 33.47 31.40 1b92 s TRP 61 CO 0.03 0.17 -0.19 -1.14 0.02 0.00 0.00 176.95 175.84 1b92 s GLN 62 N -2.41 3.15 -0.10 4.98 2.00 -0.14 -0.17 119.66 126.96 1b92 s GLN 62 Ca 0.08 -0.81 0.01 0.00 -2.00 0.00 0.00 55.36 52.64 1b92 s GLN 62 Cb -0.07 -2.47 0.02 0.00 0.80 0.00 0.00 33.01 31.29 1b92 s GLN 62 CO 0.04 0.11 -0.12 -0.51 -0.50 0.00 0.00 175.29 174.30 1b92 s LEU 63 N 0.55 1.54 0.18 3.68 1.02 0.23 -0.38 118.68 125.50 1b92 s LEU 63 Ca -0.12 -0.37 -0.00 0.00 0.02 0.00 0.00 54.13 53.66 1b92 s LEU 63 Cb -0.16 -0.96 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 1b92 s LEU 63 CO 0.04 -0.03 0.09 -1.81 0.02 0.00 0.00 176.35 174.66 1b92 s ASP 64 N 1.18 0.48 0.08 2.29 1.01 -0.81 -4.32 116.67 116.59 1b92 s ASP 64 Ca -0.04 -1.30 0.08 0.00 0.71 0.00 0.00 52.55 52.00 1b92 s ASP 64 Cb -0.14 0.29 -0.04 0.00 1.01 0.00 0.00 42.92 44.04 1b92 s ASP 64 CO -0.03 -0.76 -0.17 0.00 0.21 0.00 0.00 175.17 174.42 1b92 s THR 66 N -1.06 1.06 0.00 0.00 2.01 0.07 -4.96 115.64 112.77 1b92 s THR 66 Ca 0.17 -1.62 0.04 0.00 0.31 0.00 0.00 61.69 60.58 1b92 s THR 66 Cb -0.11 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1b92 s THR 66 CO 0.08 -0.49 -0.09 -1.00 -0.69 0.00 0.00 174.62 172.43 1b92 s HIS 67 N -2.23 2.82 -0.29 4.92 3.76 -1.26 -0.31 115.29 122.69 1b92 s HIS 67 Ca 0.06 -0.08 -0.14 0.00 -0.15 0.00 0.00 55.06 54.74 1b92 s HIS 67 Cb -0.04 -1.59 0.12 0.00 1.11 0.00 0.00 32.58 32.18 1b92 s HIS 67 CO 0.01 0.33 0.78 -1.17 -0.85 0.00 0.00 174.74 173.84 1b92 s LEU 68 N -1.32 -0.86 -1.80 0.89 2.96 -0.77 -4.95 118.68 112.83 1b92 s LEU 68 Ca 0.16 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.35 1b92 s LEU 68 Cb -0.11 2.12 0.00 0.00 0.50 0.00 0.00 46.19 48.70 1b92 s LEU 68 CO 0.06 -0.19 0.00 -0.62 -1.32 0.00 0.00 176.35 174.28 1b92 n GLU 69 N 4.65 -1.51 -0.98 1.98 1.02 -1.26 -1.00 120.64 123.55 1b92 n GLU 69 Ca -0.16 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1b92 n GLU 69 Cb 0.55 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.43 1b92 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b92 n GLY 70 N -0.89 0.72 3.60 0.62 0.00 -1.26 -5.02 105.19 102.95 1b92 n GLY 70 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1b92 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b92 s LYS 71 N -0.02 1.95 -0.14 1.61 1.02 -0.17 -5.11 119.74 118.88 1b92 s LYS 71 Ca 0.00 -1.90 -0.03 0.00 0.02 0.00 0.00 55.97 54.06 1b92 s LYS 71 Cb 0.00 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.50 1b92 s LYS 71 CO 0.00 0.10 -0.04 0.08 -0.92 0.00 0.00 175.35 174.57 1b92 s VAL 72 N -2.59 3.90 -0.23 3.17 1.01 -1.23 -1.85 120.40 122.57 1b92 s VAL 72 Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1b92 s VAL 72 Cb 0.03 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.75 1b92 s VAL 72 CO 0.18 0.52 -0.09 -0.63 0.00 0.00 0.00 175.10 175.07 1b92 s ILE 73 N 0.11 2.68 -0.16 2.22 1.01 0.57 -0.38 121.20 127.24 1b92 s ILE 73 Ca -0.01 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 59.40 1b92 s ILE 73 Cb -0.14 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1b92 s ILE 73 CO 0.03 0.27 0.66 -0.22 0.00 0.00 0.00 174.94 175.68 1b92 s LEU 74 N 1.31 4.19 -0.15 2.97 0.20 0.07 -0.75 118.68 126.52 1b92 s LEU 74 Ca 0.01 0.95 0.01 0.00 0.69 0.00 0.00 54.13 55.79 1b92 s LEU 74 Cb -0.16 -2.96 0.02 0.00 -0.43 0.00 0.00 46.19 42.65 1b92 s LEU 74 CO -0.06 -0.24 -0.18 -0.69 -0.29 0.00 0.00 176.35 174.89 1b92 s VAL 75 N 1.64 1.81 -0.11 1.68 1.01 0.35 -2.05 120.40 124.72 1b92 s VAL 75 Ca 0.32 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1b92 s VAL 75 Cb -0.16 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1b92 s VAL 75 CO 0.12 0.50 -0.06 0.00 0.00 0.00 0.00 175.10 175.66 1b92 s ALA 76 N 1.26 2.96 -0.10 5.51 0.00 0.43 -1.92 121.76 129.90 1b92 s ALA 76 Ca 0.02 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1b92 s ALA 76 Cb -0.13 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.63 1b92 s ALA 76 CO -0.09 0.40 -0.19 0.08 0.00 0.00 0.00 175.76 175.95 1b92 s VAL 77 N -0.23 1.74 -0.55 0.00 1.01 0.49 -1.36 120.40 121.49 1b92 s VAL 77 Ca 0.03 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.91 1b92 s VAL 77 Cb -0.13 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.74 1b92 s VAL 77 CO 0.03 0.49 1.24 -2.28 0.00 0.00 0.00 175.10 174.58 1b92 s HIS 78 N 0.62 2.56 0.20 5.22 2.46 -0.10 -0.97 115.29 125.28 1b92 s HIS 78 Ca -0.14 0.49 -0.12 0.00 0.47 0.00 0.00 55.06 55.76 1b92 s HIS 78 Cb -0.16 -4.47 0.25 0.00 -0.13 0.00 0.00 32.58 28.06 1b92 s HIS 78 CO 0.04 -1.64 1.68 0.28 -2.47 0.00 0.00 174.74 172.62 1b92 h VAL 79 N 6.23 0.56 0.00 0.89 2.07 -1.80 0.10 116.25 124.31 1b92 h VAL 79 Ca -0.25 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1b92 h VAL 79 Cb 1.07 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1b92 h VAL 79 CO 1.17 0.02 -0.26 0.00 0.02 0.00 0.00 177.57 178.53 1b92 h ALA 80 N 1.50 1.49 0.00 1.67 0.00 -1.80 -3.31 119.26 118.80 1b92 h ALA 80 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1b92 h ALA 80 Cb 0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1b92 h ALA 80 CO -0.46 0.32 -1.56 -1.13 0.00 0.00 0.00 179.25 176.42 1b92 n SER 81 N -4.10 2.28 0.00 0.00 3.41 -0.95 -4.67 113.62 109.59 1b92 n SER 81 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1b92 n SER 81 Cb 0.32 1.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 1b92 n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b92 n GLY 82 N 1.86 0.81 3.76 5.00 0.00 -0.02 -4.56 105.19 112.05 1b92 n GLY 82 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1b92 n GLY 82 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b92 s TYR 83 N -3.23 3.04 0.16 1.61 5.04 -1.25 -4.75 117.35 117.97 1b92 s TYR 83 Ca 0.00 1.28 0.10 0.00 -2.44 0.00 0.00 57.07 56.02 1b92 s TYR 83 Cb 0.00 -3.72 -0.04 0.00 0.35 0.00 0.00 41.96 38.55 1b92 s TYR 83 CO 0.00 -2.12 -0.24 0.42 -1.34 0.00 0.00 175.55 172.28 1b92 s ILE 84 N -0.71 2.16 -0.04 3.14 1.01 -1.26 -0.92 121.20 124.57 1b92 s ILE 84 Ca 0.53 -1.86 0.02 0.00 0.00 0.00 0.00 60.65 59.33 1b92 s ILE 84 Cb -0.40 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.11 1b92 s ILE 84 CO 0.49 -0.07 -0.09 -1.61 0.00 0.00 0.00 174.94 173.66 1b92 s GLU 85 N -2.39 1.17 0.09 2.79 2.02 -0.47 -4.95 118.70 116.96 1b92 s GLU 85 Ca 0.16 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.86 1b92 s GLU 85 Cb -0.09 -1.05 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 1b92 s GLU 85 CO 0.07 0.04 -0.03 0.00 0.02 0.00 0.00 175.26 175.36 1b92 s ALA 86 N 0.53 0.79 0.00 5.21 0.00 -1.26 -0.43 121.76 126.60 1b92 s ALA 86 Ca -0.09 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 1b92 s ALA 86 Cb -0.13 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1b92 s ALA 86 CO 0.01 -0.33 0.14 -1.21 0.00 0.00 0.00 175.76 174.37 1b92 s GLU 87 N -3.90 0.48 -0.30 0.00 0.41 -0.87 -4.98 118.70 109.53 1b92 s GLU 87 Ca 0.12 -0.38 -0.12 0.00 -0.41 0.00 0.00 54.97 54.18 1b92 s GLU 87 Cb 0.07 0.20 -0.04 0.00 -1.78 0.00 0.00 34.13 32.58 1b92 s GLU 87 CO -0.06 -0.11 0.20 0.08 -0.49 0.00 0.00 175.26 174.89 1b92 s VAL 88 N -1.34 5.25 0.16 2.63 1.01 -1.26 -0.75 120.40 126.10 1b92 s VAL 88 Ca -0.14 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 61.90 1b92 s VAL 88 Cb -0.07 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1b92 s VAL 88 CO 0.02 0.15 0.04 0.27 0.00 0.00 0.00 175.10 175.57 1b92 s ILE 89 N 1.74 3.96 0.18 2.22 -4.36 0.49 -4.99 121.20 120.44 1b92 s ILE 89 Ca 0.07 -1.29 -0.11 0.00 -0.26 0.00 0.00 60.65 59.06 1b92 s ILE 89 Cb -0.17 -2.99 0.08 0.00 1.25 0.00 0.00 42.46 40.63 1b92 s ILE 89 CO 0.10 -0.09 1.70 1.55 0.24 0.00 0.00 174.94 178.45 1b92 h PRO 90 N 2.69 0.98 -3.26 0.37 0.13 -1.98 -3.26 132.00 127.67 1b92 h PRO 90 Ca -0.47 -0.22 -0.06 0.00 -0.87 0.00 0.00 66.00 64.38 1b92 h PRO 90 Cb 1.20 -0.14 -0.14 0.00 0.13 0.00 0.00 31.00 32.05 1b92 h PRO 90 CO 0.60 0.87 -0.07 0.00 -0.23 0.00 0.00 178.00 179.16 1b92 s ALA 91 N -5.38 -0.97 -1.01 -0.56 0.00 -1.26 -4.73 121.76 107.83 1b92 s ALA 91 Ca -0.12 0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.68 1b92 s ALA 91 Cb 0.13 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 1b92 s ALA 91 CO 0.82 -0.59 1.80 -1.21 0.00 0.00 0.00 175.76 176.58 1b92 s GLU 92 N -3.38 2.92 0.27 0.00 2.02 -1.26 -4.84 118.70 114.44 1b92 s GLU 92 Ca 0.00 -0.80 0.08 0.00 0.02 0.00 0.00 54.97 54.28 1b92 s GLU 92 Cb 0.01 -5.21 -0.05 0.00 0.10 0.00 0.00 34.13 28.98 1b92 s GLU 92 CO -0.09 -3.10 -0.11 0.95 0.02 0.00 0.00 175.26 172.93 1b92 s THR 93 N 8.48 1.92 0.21 3.63 -4.23 -1.26 -5.04 115.64 119.35 1b92 s THR 93 Ca 0.62 -2.21 -0.09 0.00 -1.18 0.00 0.00 61.69 58.83 1b92 s THR 93 Cb -0.03 -2.35 0.15 0.00 1.34 0.00 0.00 72.50 71.61 1b92 s THR 93 CO 0.00 -0.38 1.85 1.23 -0.54 0.00 0.00 174.62 176.78 1b92 h GLY 94 N 2.31 1.04 0.64 3.99 0.00 -1.92 -1.83 103.07 107.31 1b92 h GLY 94 Ca -0.40 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 46.66 1b92 h GLY 94 CO 0.65 0.28 0.30 1.46 0.00 0.00 0.00 176.54 179.23 1b92 h GLN 95 N 0.87 0.54 -0.34 4.80 7.50 -1.96 -0.44 115.11 126.09 1b92 h GLN 95 Ca 0.29 -0.03 -0.12 0.00 0.50 0.00 0.00 58.65 59.30 1b92 h GLN 95 Cb 0.04 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 1b92 h GLN 95 CO -0.12 0.36 -0.24 0.93 -1.50 0.00 0.00 178.83 178.26 1b92 h GLU 96 N 0.56 0.76 -0.50 1.46 4.39 -1.75 -1.71 114.58 117.80 1b92 h GLU 96 Ca 0.27 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1b92 h GLU 96 Cb 0.20 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1b92 h GLU 96 CO -0.19 0.99 0.19 1.15 -1.16 0.00 0.00 179.01 179.98 1b92 h THR 97 N 0.54 1.22 -0.51 1.13 2.02 -1.01 -0.75 112.91 115.55 1b92 h THR 97 Ca 0.07 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 1b92 h THR 97 Cb 0.80 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1b92 h THR 97 CO 0.06 0.26 0.19 0.00 0.37 0.00 0.00 175.52 176.40 1b92 h ALA 98 N 1.04 0.66 -0.74 6.16 0.00 -1.03 0.46 119.26 125.81 1b92 h ALA 98 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1b92 h ALA 98 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1b92 h ALA 98 CO -0.01 0.28 0.29 -0.92 0.00 0.00 0.00 179.25 178.90 1b92 h TYR 99 N 0.68 1.13 -0.36 0.00 3.20 -1.20 -1.02 116.97 119.40 1b92 h TYR 99 Ca 0.17 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 1b92 h TYR 99 Cb 0.22 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1b92 h TYR 99 CO 0.01 0.86 -0.02 0.35 -1.64 0.00 0.00 178.16 177.72 1b92 h PHE 100 N 1.06 0.72 -0.26 -3.82 3.04 -0.79 -1.86 116.94 115.04 1b92 h PHE 100 Ca 0.25 -0.13 0.02 0.00 3.98 0.00 0.00 57.97 62.08 1b92 h PHE 100 Cb 0.21 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 1b92 h PHE 100 CO 0.02 0.77 0.12 -0.07 -2.02 0.00 0.00 178.31 177.13 1b92 h LEU 101 N 0.47 0.18 -0.82 0.59 3.38 -0.58 -0.17 115.31 118.36 1b92 h LEU 101 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1b92 h LEU 101 Cb 0.49 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1b92 h LEU 101 CO 0.02 0.14 0.52 0.25 0.09 0.00 0.00 178.44 179.46 1b92 h LEU 102 N 0.26 0.96 0.29 1.67 5.85 -1.05 -0.62 115.31 122.67 1b92 h LEU 102 Ca 0.11 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1b92 h LEU 102 Cb 0.04 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1b92 h LEU 102 CO -0.08 0.72 -0.14 0.11 -0.34 0.00 0.00 178.44 178.71 1b92 h LYS 103 N 1.12 -0.38 -0.42 1.25 1.57 -1.09 -2.30 116.57 116.32 1b92 h LYS 103 Ca 0.30 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.19 1b92 h LYS 103 Cb -0.09 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 1b92 h LYS 103 CO -0.06 -0.20 -0.08 1.25 -0.57 0.00 0.00 179.45 179.79 1b92 h LEU 104 N -0.47 -0.34 -1.48 2.94 5.85 -0.89 -1.76 115.31 119.16 1b92 h LEU 104 Ca -0.04 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1b92 h LEU 104 Cb 0.35 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1b92 h LEU 104 CO 0.07 -0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.05 1b92 h ALA 105 N 1.41 1.00 0.00 1.25 0.00 -1.01 -1.18 119.26 120.73 1b92 h ALA 105 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1b92 h ALA 105 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1b92 h ALA 105 CO -0.41 0.00 -0.34 0.41 0.00 0.00 0.00 179.25 178.91 1b92 n GLY 106 N -0.43 -1.41 0.10 0.00 0.00 -0.68 -4.06 105.19 98.72 1b92 n GLY 106 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 1b92 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b92 n ARG 107 N -1.75 0.75 -4.22 1.61 1.74 -0.71 -5.04 116.66 109.03 1b92 n ARG 107 Ca 0.05 0.09 -0.16 0.00 -0.77 0.00 0.00 57.85 57.06 1b92 n ARG 107 Cb 0.38 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 1b92 n ARG 107 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1b92 s TRP 108 N -2.44 1.25 -1.00 -1.55 0.52 -0.53 -5.07 118.94 110.13 1b92 s TRP 108 Ca -0.23 -0.65 -0.23 0.00 0.02 0.00 0.00 56.10 55.01 1b92 s TRP 108 Cb 0.07 -0.66 0.01 0.00 -1.15 0.00 0.00 33.47 31.74 1b92 s TRP 108 CO 0.58 0.08 1.66 -1.25 0.02 0.00 0.00 176.95 178.05 1b92 s PRO 109 N -3.03 3.20 -0.46 4.98 0.04 -1.26 -4.44 135.00 134.02 1b92 s PRO 109 Ca 0.10 -0.86 -0.24 0.00 0.04 0.00 0.00 61.00 60.04 1b92 s PRO 109 Cb -0.02 -5.26 0.03 0.00 0.04 0.00 0.00 34.50 29.29 1b92 s PRO 109 CO 0.01 -2.69 0.84 0.08 0.04 0.00 0.00 177.00 175.28 1b92 s VAL 110 N 7.00 4.58 -0.23 -0.36 1.01 -1.26 -4.41 120.40 126.72 1b92 s VAL 110 Ca 0.56 0.54 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 1b92 s VAL 110 Cb -0.02 -4.37 -0.14 0.00 0.00 0.00 0.00 36.38 31.85 1b92 s VAL 110 CO -0.05 -0.77 -0.09 2.29 0.00 0.00 0.00 175.10 176.48 1b92 n LYS 111 N 6.90 0.57 -4.03 2.72 2.85 0.21 -4.62 118.16 122.75 1b92 n LYS 111 Ca 0.04 0.42 -0.11 0.00 -1.05 0.00 0.00 58.31 57.60 1b92 n LYS 111 Cb 0.48 -1.62 -0.11 0.00 -0.65 0.00 0.00 35.03 33.13 1b92 n LYS 111 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1b92 s THR 112 N -2.45 0.37 -0.05 0.58 -4.23 -0.51 -1.67 115.64 107.68 1b92 s THR 112 Ca -0.32 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1b92 s THR 112 Cb 0.10 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.46 1b92 s THR 112 CO 0.52 -0.43 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.33 1b92 s VAL 113 N -1.43 1.27 0.18 2.29 1.01 -0.63 -1.59 120.40 121.50 1b92 s VAL 113 Ca -0.12 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1b92 s VAL 113 Cb -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1b92 s VAL 113 CO -0.00 0.38 -0.13 -2.28 0.00 0.00 0.00 175.10 173.07 1b92 s HIS 114 N 0.34 2.56 0.11 5.22 5.04 0.76 -0.45 115.29 128.87 1b92 s HIS 114 Ca -0.09 -0.25 -0.06 0.00 -1.54 0.00 0.00 55.06 53.11 1b92 s HIS 114 Cb -0.13 -1.26 -0.02 0.00 0.04 0.00 0.00 32.58 31.21 1b92 s HIS 114 CO 0.03 0.51 0.17 -0.08 -2.34 0.00 0.00 174.74 173.02 1b92 s THR 115 N -1.68 0.12 -2.51 0.89 -1.32 -1.26 -0.61 115.64 109.28 1b92 s THR 115 Ca 0.24 -1.45 0.25 0.00 -1.21 0.00 0.00 61.69 59.52 1b92 s THR 115 Cb -0.09 -1.63 0.26 0.00 -1.51 0.00 0.00 72.50 69.54 1b92 s THR 115 CO 0.14 -0.56 1.41 0.47 -2.21 0.00 0.00 174.62 173.86 1b92 n ASP 116 N -0.09 2.13 -3.67 8.08 8.00 -1.26 -4.52 116.55 125.21 1b92 n ASP 116 Ca -0.11 -1.62 -0.29 0.00 0.71 0.00 0.00 54.79 53.49 1b92 n ASP 116 Cb 0.63 0.11 -0.12 0.00 -0.02 0.00 0.00 41.12 41.71 1b92 n ASP 116 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1b92 s ASN 117 N -2.16 3.39 0.46 -2.24 3.04 -1.26 -5.00 114.94 111.18 1b92 s ASN 117 Ca 0.28 -2.91 0.17 0.00 0.04 0.00 0.00 52.86 50.45 1b92 s ASN 117 Cb 0.20 -0.99 1.14 0.00 -1.54 0.00 0.00 41.25 40.05 1b92 s ASN 117 CO 0.39 -0.22 1.98 1.23 -3.04 0.00 0.00 177.10 177.44 1b92 h GLY 118 N 6.29 0.43 2.00 1.21 0.00 -1.99 0.89 103.07 111.90 1b92 h GLY 118 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1b92 h GLY 118 CO 0.49 0.06 0.00 1.48 0.00 0.00 0.00 176.54 178.57 1b92 h SER 119 N 0.29 0.00 -0.23 0.19 4.64 -1.98 -2.30 113.55 114.16 1b92 h SER 119 Ca 0.28 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.66 1b92 h SER 119 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1b92 h SER 119 CO -0.06 0.00 0.16 0.78 -0.87 0.00 0.00 176.83 176.84 1b92 h ASN 120 N 0.00 0.03 -0.55 4.97 2.35 -1.25 -2.99 115.58 118.13 1b92 h ASN 120 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1b92 h ASN 120 Cb 0.22 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1b92 h ASN 120 CO 0.00 0.02 0.00 0.49 -1.65 0.00 0.00 177.43 176.29 1b92 n PHE 121 N -4.48 1.74 0.90 1.19 3.72 -0.86 -4.66 117.46 115.00 1b92 n PHE 121 Ca 0.02 -0.71 0.11 0.00 -0.05 0.00 0.00 57.45 56.82 1b92 n PHE 121 Cb 0.29 -0.40 0.05 0.00 -0.94 0.00 0.00 39.48 38.48 1b92 n PHE 121 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1b92 n THR 122 N 0.63 0.03 -1.52 4.37 -2.24 -1.13 -4.54 114.28 109.88 1b92 n THR 122 Ca 0.26 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.66 1b92 n THR 122 Cb 1.06 0.53 0.07 0.00 -2.10 0.00 0.00 70.33 69.89 1b92 n THR 122 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b92 s SER 123 N -3.21 4.77 0.17 3.42 1.04 -1.26 -4.87 113.70 113.76 1b92 s SER 123 Ca 0.08 1.95 -0.15 0.00 0.48 0.00 0.00 55.95 58.31 1b92 s SER 123 Cb 0.16 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.87 1b92 s SER 123 CO 0.79 -1.86 1.72 0.74 0.98 0.00 0.00 173.24 175.61 1b92 h THR 124 N -0.49 0.76 -0.25 2.02 2.02 -1.99 -1.51 112.91 113.47 1b92 h THR 124 Ca -0.45 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 66.70 1b92 h THR 124 Cb 1.24 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1b92 h THR 124 CO 0.52 0.04 0.01 0.74 0.37 0.00 0.00 175.52 177.20 1b92 h THR 125 N 0.20 0.83 -0.31 3.16 2.02 -1.91 0.16 112.91 117.06 1b92 h THR 125 Ca 0.21 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 1b92 h THR 125 Cb 0.27 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1b92 h THR 125 CO -0.28 0.02 0.09 0.58 0.37 0.00 0.00 175.52 176.29 1b92 h VAL 126 N 0.09 1.21 0.00 3.16 2.07 -1.70 -2.32 116.25 118.76 1b92 h VAL 126 Ca 0.12 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1b92 h VAL 126 Cb 0.15 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1b92 h VAL 126 CO -0.19 0.23 -0.13 0.11 0.02 0.00 0.00 177.57 177.61 1b92 h LYS 127 N 0.34 0.00 -0.34 1.57 1.57 -0.92 -1.54 116.57 117.26 1b92 h LYS 127 Ca 0.10 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 1b92 h LYS 127 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1b92 h LYS 127 CO -0.00 0.13 -0.41 0.00 -0.57 0.00 0.00 179.45 178.60 1b92 h ALA 128 N 1.87 0.64 -0.32 3.86 0.00 -0.65 0.22 119.26 124.87 1b92 h ALA 128 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1b92 h ALA 128 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1b92 h ALA 128 CO 0.02 0.67 0.11 0.00 0.00 0.00 0.00 179.25 180.05 1b92 h ALA 129 N 0.85 0.42 -0.44 0.00 0.00 -0.85 -0.66 119.26 118.58 1b92 h ALA 129 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1b92 h ALA 129 Cb 0.98 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1b92 h ALA 129 CO 0.09 0.05 0.15 0.00 0.00 0.00 0.00 179.25 179.54 1b92 h TRP 131 N 0.56 -0.67 -0.65 0.00 7.01 -0.38 0.42 115.95 122.26 1b92 h TRP 131 Ca 0.14 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 61.12 1b92 h TRP 131 Cb 0.23 0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.60 1b92 h TRP 131 CO 0.01 -0.33 0.17 2.35 -2.79 0.00 0.00 178.44 177.85 1b92 h TRP 132 N -0.26 1.07 -0.00 2.65 7.01 -0.96 -2.62 115.95 122.84 1b92 h TRP 132 Ca 0.13 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1b92 h TRP 132 Cb 0.47 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.22 1b92 h TRP 132 CO -0.39 0.88 -0.08 0.00 -2.79 0.00 0.00 178.44 176.05 1b92 n ALA 133 N -2.43 2.72 -1.86 2.65 0.00 -0.45 -4.91 120.51 116.23 1b92 n ALA 133 Ca 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 1b92 n ALA 133 Cb 0.24 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 1b92 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b92 n GLY 134 N 1.24 0.34 3.84 0.00 0.00 -0.38 -5.02 105.19 105.22 1b92 n GLY 134 Ca 0.16 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1b92 n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b92 s ILE 135 N -2.09 5.19 0.24 -0.61 1.01 -0.00 -4.85 121.20 120.10 1b92 s ILE 135 Ca 0.00 0.63 0.10 0.00 0.00 0.00 0.00 60.65 61.39 1b92 s ILE 135 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1b92 s ILE 135 CO 0.00 0.58 -0.09 -0.54 0.00 0.00 0.00 174.94 174.89 1b92 s LYS 136 N -0.99 2.03 0.09 2.79 -0.14 -0.67 -4.53 119.74 118.33 1b92 s LYS 136 Ca 0.21 -1.48 -0.30 0.00 -1.36 0.00 0.00 55.97 53.04 1b92 s LYS 136 Cb -0.15 -2.04 -0.05 0.00 -1.68 0.00 0.00 37.83 33.90 1b92 s LYS 136 CO 0.10 0.38 0.95 -1.14 -0.76 0.00 0.00 175.35 174.87 1b92 s GLN 137 N -3.36 4.66 0.04 1.68 0.74 -1.26 -1.61 119.66 120.56 1b92 s GLN 137 Ca 0.29 1.42 -0.30 0.00 0.05 0.00 0.00 55.36 56.81 1b92 s GLN 137 Cb -0.07 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.61 1b92 s GLN 137 CO 0.17 0.18 1.15 -2.00 -0.55 0.00 0.00 175.29 174.24 1b92 s GLU 138 N 0.13 4.45 0.00 1.67 2.12 0.41 -4.79 118.70 122.69 1b92 s GLU 138 Ca 0.47 1.69 0.10 0.00 0.36 0.00 0.00 54.97 57.59 1b92 s GLU 138 Cb -0.23 -3.39 0.27 0.00 0.26 0.00 0.00 34.13 31.05 1b92 s GLU 138 CO 0.29 -0.23 1.21 1.19 -0.54 0.00 0.00 175.26 177.18 1b92 n PHE 139 N 4.05 0.40 -4.16 5.30 3.72 -1.26 -4.74 117.46 120.77 1b92 n PHE 139 Ca 0.09 -0.45 -0.11 0.00 -0.05 0.00 0.00 57.45 56.93 1b92 n PHE 139 Cb 0.47 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 1b92 n PHE 139 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b92 n GLY 140 N 0.49 3.83 0.24 1.37 0.00 -1.26 -5.25 105.19 104.61 1b92 n GLY 140 Ca 0.11 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 43.94 1b92 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b92 h ALA 149 N 1.03 1.76 -0.38 4.61 0.00 -2.02 -3.55 119.26 120.72 1b92 h ALA 149 Ca -0.14 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1b92 h ALA 149 Cb 0.42 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1b92 h ALA 149 CO 0.22 0.14 -0.31 -0.24 0.00 0.00 0.00 179.25 179.07 1b92 h VAL 150 N 0.00 0.00 -0.99 0.00 3.04 -1.99 0.83 116.25 117.14 1b92 h VAL 150 Ca -0.00 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 65.84 1b92 h VAL 150 Cb 0.21 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 29.40 1b92 h VAL 150 CO 0.01 0.00 0.62 0.40 -1.01 0.00 0.00 177.57 177.60 1b92 h ILE 151 N -0.11 0.84 -0.42 3.17 2.04 -1.98 0.11 117.51 121.16 1b92 h ILE 151 Ca 0.06 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 1b92 h ILE 151 Cb 0.27 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1b92 h ILE 151 CO -0.41 0.16 -0.27 -0.33 0.00 0.00 0.00 178.15 177.30 1b92 h GLU 152 N 0.88 0.90 0.50 2.37 5.08 -1.75 -2.39 114.58 120.17 1b92 h GLU 152 Ca 0.52 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1b92 h GLU 152 Cb 0.66 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1b92 h GLU 152 CO -0.30 1.06 -0.24 0.66 -1.00 0.00 0.00 179.01 179.19 1b92 h SER 153 N 0.77 -0.57 -0.81 1.42 4.64 0.76 -2.14 113.55 117.61 1b92 h SER 153 Ca 0.09 -0.07 0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1b92 h SER 153 Cb 0.83 0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 63.01 1b92 h SER 153 CO 0.07 -0.21 0.48 0.24 -0.87 0.00 0.00 176.83 176.54 1b92 h MET 154 N -0.96 0.83 -0.06 4.77 2.86 -0.93 0.76 114.93 122.20 1b92 h MET 154 Ca -0.07 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1b92 h MET 154 Cb 0.60 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1b92 h MET 154 CO 0.11 0.55 -0.01 -0.91 1.06 0.00 0.00 176.91 177.71 1b92 h ASN 155 N 0.85 0.11 -0.49 1.22 4.21 -1.46 -1.48 115.58 118.54 1b92 h ASN 155 Ca 0.37 -0.34 0.09 0.00 1.21 0.00 0.00 56.30 57.63 1b92 h ASN 155 Cb 0.24 -0.03 -0.08 0.00 -1.12 0.00 0.00 38.32 37.33 1b92 h ASN 155 CO -0.20 0.43 0.04 0.11 -1.29 0.00 0.00 177.43 176.52 1b92 h LYS 156 N -0.20 0.15 -0.97 0.81 1.57 -1.04 0.14 116.57 117.03 1b92 h LYS 156 Ca 0.02 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.94 1b92 h LYS 156 Cb 0.37 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.56 1b92 h LYS 156 CO 0.00 0.10 0.61 1.49 -0.57 0.00 0.00 179.45 181.09 1b92 h GLU 157 N 0.16 0.81 -0.34 3.15 4.81 -0.77 -2.97 114.58 119.44 1b92 h GLU 157 Ca 0.25 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1b92 h GLU 157 Cb 0.36 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1b92 h GLU 157 CO -0.38 0.54 0.03 1.25 -0.73 0.00 0.00 179.01 179.72 1b92 h LEU 158 N 0.84 0.57 -1.09 1.64 5.85 0.40 -2.93 115.31 120.59 1b92 h LEU 158 Ca 0.51 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1b92 h LEU 158 Cb 0.68 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1b92 h LEU 158 CO -0.28 0.71 0.17 0.50 -0.34 0.00 0.00 178.44 179.20 1b92 h LYS 159 N 0.41 0.82 0.32 1.25 1.63 -1.44 -0.16 116.57 119.39 1b92 h LYS 159 Ca 0.10 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1b92 h LYS 159 Cb 0.40 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1b92 h LYS 159 CO 0.01 0.71 -0.15 -0.22 -3.45 0.00 0.00 179.45 176.35 1b92 h LYS 160 N 0.79 -0.42 -0.76 1.90 3.64 -1.52 0.51 116.57 120.72 1b92 h LYS 160 Ca 0.18 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1b92 h LYS 160 Cb 0.24 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1b92 h LYS 160 CO -0.01 -0.25 0.45 0.82 -2.27 0.00 0.00 179.45 178.19 1b92 h ILE 161 N -0.47 1.22 -0.46 2.00 2.04 -1.32 0.14 117.51 120.65 1b92 h ILE 161 Ca -0.04 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.39 1b92 h ILE 161 Cb 0.36 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1b92 h ILE 161 CO 0.07 0.23 0.15 0.40 0.00 0.00 0.00 178.15 179.00 1b92 h ILE 162 N 1.04 0.83 -0.46 -0.67 2.04 -0.85 -0.24 117.51 119.20 1b92 h ILE 162 Ca 0.27 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 66.08 1b92 h ILE 162 Cb -0.03 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 1b92 h ILE 162 CO -0.05 0.06 0.19 1.23 0.00 0.00 0.00 178.15 179.58 1b92 h GLY 163 N 0.32 0.62 1.59 5.37 0.00 0.47 -0.45 103.07 110.99 1b92 h GLY 163 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1b92 h GLY 163 CO -0.24 0.05 0.02 1.46 0.00 0.00 0.00 176.54 177.83 1b92 h GLN 164 N 0.38 0.52 -0.06 4.80 4.20 0.87 -3.09 115.11 122.73 1b92 h GLN 164 Ca 0.21 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1b92 h GLN 164 Cb 0.19 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1b92 h GLN 164 CO -0.20 0.53 0.00 1.33 -0.67 0.00 0.00 178.83 179.82 1b92 n VAL 165 N -4.30 0.05 -0.34 -0.54 0.24 -0.42 -4.63 118.33 108.38 1b92 n VAL 165 Ca 0.02 -0.52 0.16 0.00 -2.04 0.00 0.00 64.34 61.95 1b92 n VAL 165 Cb 0.23 1.43 0.37 0.00 -1.47 0.00 0.00 33.84 34.40 1b92 n VAL 165 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1b92 h ARG 166 N 4.51 0.58 0.00 7.34 9.65 -1.00 0.71 114.38 136.17 1b92 h ARG 166 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1b92 h ARG 166 Cb 0.96 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 1b92 h ARG 166 CO 0.00 0.38 0.00 -0.25 2.80 0.00 0.00 179.97 182.90 1b92 n ASP 167 N -4.88 0.00 -0.12 -3.80 9.92 -1.26 -3.12 116.55 113.29 1b92 n ASP 167 Ca 0.26 -0.92 0.12 0.00 -0.53 0.00 0.00 54.79 53.72 1b92 n ASP 167 Cb 0.71 0.00 0.27 0.00 -0.64 0.00 0.00 41.12 41.46 1b92 n ASP 167 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1b92 n GLN 168 N -1.00 0.38 -4.06 -1.24 7.27 0.25 -4.89 117.38 114.08 1b92 n GLN 168 Ca 0.22 -0.23 -0.13 0.00 0.07 0.00 0.00 57.00 56.93 1b92 n GLN 168 Cb 0.10 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.14 1b92 n GLN 168 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1b92 s ALA 169 N -2.78 0.48 -0.00 1.69 0.00 -1.18 -5.04 121.76 114.92 1b92 s ALA 169 Ca 0.16 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 1b92 s ALA 169 Cb 0.18 0.03 -0.18 0.00 0.00 0.00 0.00 23.12 23.15 1b92 s ALA 169 CO 0.63 -0.02 1.29 0.93 0.00 0.00 0.00 175.76 178.60 1b92 h GLU 170 N 4.80 -0.12 -6.15 0.00 3.07 -1.90 -3.45 114.58 110.82 1b92 h GLU 170 Ca -0.34 0.01 -0.58 0.00 -0.50 0.00 0.00 59.36 57.95 1b92 h GLU 170 Cb 1.20 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 29.10 1b92 h GLU 170 CO 0.42 0.26 -0.29 -1.01 -1.40 0.00 0.00 179.01 176.99 1b92 s HIS 171 N -4.55 3.50 0.23 4.33 3.76 -1.26 -5.00 115.29 116.30 1b92 s HIS 171 Ca -0.15 0.63 -0.07 0.00 -0.15 0.00 0.00 55.06 55.32 1b92 s HIS 171 Cb 0.02 -2.05 0.31 0.00 1.11 0.00 0.00 32.58 31.97 1b92 s HIS 171 CO 0.62 0.46 1.81 1.25 -0.85 0.00 0.00 174.74 178.03 1b92 h LEU 172 N 3.09 0.61 -1.11 0.89 5.85 -1.94 -2.20 115.31 120.50 1b92 h LEU 172 Ca -0.47 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1b92 h LEU 172 Cb 1.17 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 1b92 h LEU 172 CO 0.71 0.37 0.60 0.07 -0.34 0.00 0.00 178.44 179.85 1b92 h LYS 173 N 0.74 1.13 0.15 1.25 2.10 -1.98 -0.66 116.57 119.31 1b92 h LYS 173 Ca 0.34 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.92 1b92 h LYS 173 Cb 0.26 -0.26 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1b92 h LYS 173 CO -0.21 0.75 -0.07 1.15 -2.00 0.00 0.00 179.45 179.06 1b92 h THR 174 N 1.17 0.89 -0.97 0.07 2.02 -1.82 -2.47 112.91 111.80 1b92 h THR 174 Ca 0.36 -0.19 0.17 0.00 0.77 0.00 0.00 66.41 67.51 1b92 h THR 174 Cb -0.02 1.02 -0.10 0.00 -1.74 0.00 0.00 68.15 67.31 1b92 h THR 174 CO -0.10 0.05 0.57 0.00 0.37 0.00 0.00 175.52 176.40 1b92 h ALA 175 N 0.54 1.55 -0.37 6.16 0.00 -1.09 0.24 119.26 126.28 1b92 h ALA 175 Ca -0.02 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1b92 h ALA 175 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1b92 h ALA 175 CO 0.03 -0.02 0.21 0.28 0.00 0.00 0.00 179.25 179.76 1b92 h VAL 176 N 0.76 1.04 -0.12 0.00 2.07 -0.89 -0.18 116.25 118.93 1b92 h VAL 176 Ca 0.54 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.79 1b92 h VAL 176 Cb 0.78 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1b92 h VAL 176 CO -0.36 0.08 -0.47 1.56 0.02 0.00 0.00 177.57 178.40 1b92 h GLN 177 N 0.44 0.29 -0.47 1.57 1.08 -0.93 0.59 115.11 117.67 1b92 h GLN 177 Ca 0.14 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1b92 h GLN 177 Cb 0.00 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1b92 h GLN 177 CO -0.07 0.70 0.13 0.52 -0.95 0.00 0.00 178.83 179.17 1b92 h MET 178 N 0.24 0.71 -0.12 1.46 2.86 -0.51 -1.55 114.93 118.01 1b92 h MET 178 Ca 0.01 -0.12 -0.19 0.00 -2.06 0.00 0.00 59.70 57.34 1b92 h MET 178 Cb 0.92 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 1b92 h MET 178 CO 0.08 0.63 -0.70 0.00 1.06 0.00 0.00 176.91 177.98 1b92 h ALA 179 N 1.46 0.54 -0.20 6.32 0.00 -0.41 0.11 119.26 127.08 1b92 h ALA 179 Ca 0.16 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1b92 h ALA 179 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1b92 h ALA 179 CO -0.01 0.73 0.12 0.28 0.00 0.00 0.00 179.25 180.37 1b92 h VAL 180 N 0.38 1.02 0.01 0.00 2.07 -0.67 0.32 116.25 119.39 1b92 h VAL 180 Ca -0.03 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1b92 h VAL 180 Cb 1.28 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1b92 h VAL 180 CO 0.13 0.04 -0.05 0.15 0.02 0.00 0.00 177.57 177.86 1b92 h PHE 181 N 0.24 -0.14 -0.02 1.57 3.04 -0.99 0.31 116.94 120.95 1b92 h PHE 181 Ca 0.08 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.05 1b92 h PHE 181 Cb -0.00 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 1b92 h PHE 181 CO -0.08 -0.09 -0.07 0.82 -2.02 0.00 0.00 178.31 176.87 1b92 h ILE 182 N -0.10 0.81 -0.34 1.41 2.04 -0.52 -2.50 117.51 118.30 1b92 h ILE 182 Ca 0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 1b92 h ILE 182 Cb 0.12 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1b92 h ILE 182 CO -0.05 0.00 0.02 -0.74 0.00 0.00 0.00 178.15 177.38 1b92 h HIS 183 N -0.12 0.01 0.00 1.37 2.76 -0.04 -2.17 115.15 116.96 1b92 h HIS 183 Ca 0.04 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1b92 h HIS 183 Cb 0.17 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1b92 h HIS 183 CO -0.15 -0.04 -0.32 -0.91 -1.30 0.00 0.00 177.93 175.21 1b92 h ASN 184 N 0.12 0.00 0.81 3.26 2.35 -0.73 -3.19 115.58 118.20 1b92 h ASN 184 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1b92 h ASN 184 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1b92 h ASN 184 CO -0.26 0.32 -1.03 0.29 -1.65 0.00 0.00 177.43 175.09 1b92 n LYS 185 N -3.75 0.52 -1.68 0.81 5.02 -0.96 -1.23 118.16 116.89 1b92 n LYS 185 Ca -0.01 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1b92 n LYS 185 Cb 0.41 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1b92 n LYS 185 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1b92 s LYS 186 N -3.32 4.14 0.08 1.97 2.47 -0.84 -4.67 119.74 119.56 1b92 s LYS 186 Ca 0.00 2.61 -0.30 0.00 -1.56 0.00 0.00 55.97 56.72 1b92 s LYS 186 Cb 0.11 -4.07 -0.05 0.00 -1.46 0.00 0.00 37.83 32.36 1b92 s LYS 186 CO 0.79 -0.94 1.07 1.03 0.16 0.00 0.00 175.35 177.47 1b92 s ARG 187 N 4.17 4.55 -0.74 4.03 0.52 -1.26 -4.03 118.95 126.19 1b92 s ARG 187 Ca 0.87 1.60 0.04 0.00 -0.52 0.00 0.00 55.73 57.72 1b92 s ARG 187 Cb -0.43 -3.37 0.22 0.00 0.52 0.00 0.00 34.95 31.88 1b92 s ARG 187 CO 0.41 -0.04 0.70 1.63 0.02 0.00 0.00 175.30 178.01 1b92 n LYS 188 N 3.39 2.39 0.00 3.54 5.02 -0.62 -4.89 118.16 126.99 1b92 n LYS 188 Ca 0.06 -4.56 0.00 0.00 -2.02 0.00 0.00 58.31 51.78 1b92 n LYS 188 Cb 0.48 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 1b92 n LYS 188 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b92 n GLY 189 N 1.58 5.02 0.00 0.72 0.00 -1.26 -4.26 105.19 106.99 1b92 n GLY 189 Ca 0.24 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1b92 n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b92 n GLY 193 N 0.36 1.26 3.93 -0.02 0.00 -1.26 -5.23 105.19 104.22 1b92 n GLY 193 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 1b92 n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b92 s TYR 194 N 0.00 3.08 0.73 1.61 2.02 -1.26 -4.82 117.35 118.71 1b92 s TYR 194 Ca 0.00 -0.21 -0.10 0.00 -0.37 0.00 0.00 57.07 56.39 1b92 s TYR 194 Cb 0.00 -1.82 0.05 0.00 -0.40 0.00 0.00 41.96 39.79 1b92 s TYR 194 CO 0.00 0.16 1.08 -1.54 -1.57 0.00 0.00 175.55 173.68 1b92 s SER 195 N -4.06 4.97 0.29 2.29 1.04 -1.26 -1.58 113.70 115.39 1b92 s SER 195 Ca 0.41 0.78 -0.02 0.00 0.48 0.00 0.00 55.95 57.61 1b92 s SER 195 Cb -0.08 -1.46 0.43 0.00 0.10 0.00 0.00 66.02 65.01 1b92 s SER 195 CO 0.29 -1.57 1.89 0.00 0.98 0.00 0.00 173.24 174.83 1b92 h ALA 196 N -0.72 1.31 -0.63 5.32 0.00 -1.69 -1.12 119.26 121.72 1b92 h ALA 196 Ca -0.45 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 1b92 h ALA 196 Cb 1.30 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1b92 h ALA 196 CO 0.63 0.54 0.08 0.78 0.00 0.00 0.00 179.25 181.28 1b92 h GLY 197 N 1.02 1.14 0.96 0.00 0.00 -1.50 0.54 103.07 105.21 1b92 h GLY 197 Ca 0.23 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1b92 h GLY 197 CO -0.03 0.71 0.17 0.83 0.00 0.00 0.00 176.54 178.22 1b92 h GLU 198 N 0.98 0.44 -0.61 4.80 5.08 -1.72 -2.94 114.58 120.61 1b92 h GLU 198 Ca 0.19 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1b92 h GLU 198 Cb 0.46 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1b92 h GLU 198 CO 0.02 0.38 0.07 0.00 -1.00 0.00 0.00 179.01 178.47 1b92 h ARG 199 N 0.38 1.04 -0.55 2.33 3.08 -0.76 -2.34 114.38 117.55 1b92 h ARG 199 Ca 0.11 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1b92 h ARG 199 Cb 0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1b92 h ARG 199 CO -0.02 0.98 0.17 0.97 -1.07 0.00 0.00 179.97 181.01 1b92 h ILE 200 N 0.94 1.24 -0.35 2.04 2.10 -0.90 0.54 117.51 123.11 1b92 h ILE 200 Ca 0.18 -0.80 -0.10 0.00 1.08 0.00 0.00 64.86 65.22 1b92 h ILE 200 Cb 0.47 0.71 -0.02 0.00 -1.09 0.00 0.00 36.82 36.89 1b92 h ILE 200 CO 0.02 0.30 -0.20 -0.37 -1.08 0.00 0.00 178.15 176.82 1b92 h VAL 201 N 0.77 1.26 0.08 2.19 -1.51 -1.39 -0.29 116.25 117.36 1b92 h VAL 201 Ca 0.18 -1.26 -0.00 0.00 -1.23 0.00 0.00 66.70 64.38 1b92 h VAL 201 Cb 0.28 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1b92 h VAL 201 CO -0.01 0.42 -0.04 -0.78 -1.23 0.00 0.00 177.57 175.94 1b92 h ASP 202 N 0.60 -0.09 -0.24 4.19 3.58 -1.22 0.32 116.42 123.57 1b92 h ASP 202 Ca 0.09 -0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.52 1b92 h ASP 202 Cb 0.67 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 1b92 h ASP 202 CO 0.05 -0.01 0.05 0.40 -2.88 0.00 0.00 179.24 176.85 1b92 h ILE 203 N -0.16 0.89 -0.30 2.25 2.04 -0.66 0.51 117.51 122.08 1b92 h ILE 203 Ca -0.01 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 1b92 h ILE 203 Cb 0.13 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1b92 h ILE 203 CO 0.02 0.03 -0.13 0.40 0.00 0.00 0.00 178.15 178.46 1b92 h ILE 204 N 0.14 1.29 -0.40 -0.67 1.08 -0.87 -2.21 117.51 115.86 1b92 h ILE 204 Ca 0.11 -1.22 -0.01 0.00 -0.39 0.00 0.00 64.86 63.35 1b92 h ILE 204 Cb 0.11 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1b92 h ILE 204 CO -0.14 0.39 0.21 0.00 -0.69 0.00 0.00 178.15 177.92 1b92 h ALA 205 N 0.76 0.52 -0.87 1.87 0.00 -0.10 -1.50 119.26 119.94 1b92 h ALA 205 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1b92 h ALA 205 Cb 0.64 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1b92 h ALA 205 CO 0.04 0.06 0.55 1.15 0.00 0.00 0.00 179.25 181.05 1b92 h THR 206 N 0.52 1.23 -0.11 0.00 2.02 -0.91 -1.94 112.91 113.71 1b92 h THR 206 Ca 0.14 -0.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1b92 h THR 206 Cb 0.08 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1b92 h THR 206 CO -0.02 0.23 -0.10 -0.78 0.37 0.00 0.00 175.52 175.22 1b92 h ASP 207 N 1.19 0.16 -0.11 4.18 3.58 -0.99 -2.75 116.42 121.68 1b92 h ASP 207 Ca 0.32 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1b92 h ASP 207 Cb -0.09 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 40.91 1b92 h ASP 207 CO -0.06 0.29 0.04 0.40 -2.88 0.00 0.00 179.24 177.02 1b92 h ILE 208 N 0.17 1.15 0.00 2.25 2.04 -0.47 -3.30 117.51 119.34 1b92 h ILE 208 Ca 0.04 -0.44 -0.35 0.00 1.00 0.00 0.00 64.86 65.10 1b92 h ILE 208 Cb 0.29 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1b92 h ILE 208 CO 0.02 0.13 1.53 0.00 0.00 0.00 0.00 178.15 179.83 1b92 n GLN 209 N -4.91 2.32 -0.84 2.37 6.02 -1.03 -5.13 117.38 116.17 1b92 n GLN 209 Ca -0.06 -1.35 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 1b92 n GLN 209 Cb 0.11 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.10 1b92 n GLN 209 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30