#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b4j h PRO 58 N 0.00 0.00 -0.54 -1.46 0.11 -1.96 -3.19 132.00 124.96 2b4j h PRO 58 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2b4j h PRO 58 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2b4j h PRO 58 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 2b4j n GLY 59 N -0.04 2.86 3.67 -0.55 0.00 -1.26 -4.92 105.19 104.95 2b4j n GLY 59 Ca 0.00 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 2b4j n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b4j s ILE 60 N -1.54 5.35 0.07 -0.61 -1.09 -1.21 -0.71 121.20 121.46 2b4j s ILE 60 Ca 0.42 0.24 0.07 0.00 -2.23 0.00 0.00 60.65 59.15 2b4j s ILE 60 Cb 0.26 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 2b4j s ILE 60 CO 0.22 0.34 -0.20 0.26 -1.23 0.00 0.00 174.94 174.34 2b4j s TRP 61 N 1.02 1.74 -0.09 3.97 0.52 -0.27 -2.62 118.94 123.21 2b4j s TRP 61 Ca 0.09 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.83 2b4j s TRP 61 Cb -0.13 -1.00 -0.02 0.00 -1.15 0.00 0.00 33.47 31.16 2b4j s TRP 61 CO 0.04 0.13 -0.11 -1.14 0.02 0.00 0.00 176.95 175.89 2b4j s GLN 62 N -1.46 2.97 0.07 4.98 0.74 0.48 -0.53 119.66 126.91 2b4j s GLN 62 Ca 0.06 -0.63 0.09 0.00 0.05 0.00 0.00 55.36 54.94 2b4j s GLN 62 Cb -0.09 -2.57 -0.03 0.00 1.10 0.00 0.00 33.01 31.41 2b4j s GLN 62 CO 0.03 0.47 -0.26 -0.51 -0.55 0.00 0.00 175.29 174.47 2b4j s LEU 63 N -0.30 2.21 0.24 3.68 1.02 -0.46 0.26 118.68 125.32 2b4j s LEU 63 Ca 0.03 -0.62 -0.20 0.00 0.02 0.00 0.00 54.13 53.36 2b4j s LEU 63 Cb -0.13 -1.22 0.03 0.00 0.02 0.00 0.00 46.19 44.89 2b4j s LEU 63 CO 0.03 0.22 0.64 1.51 0.02 0.00 0.00 176.35 178.77 2b4j s ASP 64 N -1.44 -0.30 -0.12 2.29 -4.77 -0.58 -4.43 116.67 107.32 2b4j s ASP 64 Ca 0.12 -0.50 -0.02 0.00 -3.30 0.00 0.00 52.55 48.84 2b4j s ASP 64 Cb -0.10 0.66 -0.03 0.00 -1.09 0.00 0.00 42.92 42.37 2b4j s ASP 64 CO 0.03 -1.20 -0.02 0.00 0.70 0.00 0.00 175.17 174.67 2b4j s THR 66 N -0.27 1.63 0.02 0.00 -1.32 0.80 -4.97 115.64 111.53 2b4j s THR 66 Ca 0.05 -1.95 0.03 0.00 -1.21 0.00 0.00 61.69 58.61 2b4j s THR 66 Cb -0.12 -2.58 -0.01 0.00 -1.51 0.00 0.00 72.50 68.27 2b4j s THR 66 CO 0.02 0.00 -0.09 -1.00 -2.21 0.00 0.00 174.62 171.34 2b4j s HIS 67 N -2.78 0.77 -0.25 9.09 3.76 -1.26 -0.72 115.29 123.90 2b4j s HIS 67 Ca 0.22 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.66 2b4j s HIS 67 Cb 0.05 -0.47 0.07 0.00 1.11 0.00 0.00 32.58 33.34 2b4j s HIS 67 CO 0.12 -0.02 0.63 -1.17 -0.85 0.00 0.00 174.74 173.45 2b4j s LEU 68 N -0.82 -0.58 -1.45 0.89 0.20 -0.61 -4.94 118.68 111.37 2b4j s LEU 68 Ca -0.01 1.32 -0.00 0.00 0.69 0.00 0.00 54.13 56.13 2b4j s LEU 68 Cb -0.06 2.16 0.00 0.00 -0.43 0.00 0.00 46.19 47.86 2b4j s LEU 68 CO 0.00 -0.23 0.01 -0.62 -0.29 0.00 0.00 176.35 175.23 2b4j n GLU 69 N 3.49 -1.99 -0.96 1.98 1.02 -1.26 -0.28 120.64 122.63 2b4j n GLU 69 Ca -0.17 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 2b4j n GLU 69 Cb 0.57 -5.46 0.00 0.00 -0.02 0.00 0.00 31.44 26.53 2b4j n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b4j n GLY 70 N -0.93 0.58 3.77 0.62 0.00 -1.26 -5.02 105.19 102.95 2b4j n GLY 70 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 2b4j n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b4j s LYS 71 N -0.29 2.76 -0.20 1.61 1.02 0.61 -5.11 119.74 120.13 2b4j s LYS 71 Ca 0.00 -1.10 -0.10 0.00 0.02 0.00 0.00 55.97 54.79 2b4j s LYS 71 Cb 0.00 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 2b4j s LYS 71 CO 0.00 0.41 0.13 0.08 -0.92 0.00 0.00 175.35 175.05 2b4j s VAL 72 N -2.08 5.38 -0.19 3.17 1.01 -1.26 -1.58 120.40 124.85 2b4j s VAL 72 Ca 0.32 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.49 2b4j s VAL 72 Cb -0.08 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.87 2b4j s VAL 72 CO 0.23 0.44 -0.18 -0.63 0.00 0.00 0.00 175.10 174.96 2b4j s ILE 73 N 0.35 2.12 -0.15 2.22 1.01 0.10 -1.54 121.20 125.32 2b4j s ILE 73 Ca 0.08 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.53 2b4j s ILE 73 Cb -0.11 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 2b4j s ILE 73 CO -0.02 0.47 0.57 -0.22 0.00 0.00 0.00 174.94 175.74 2b4j s LEU 74 N 1.28 4.22 -0.10 2.97 2.96 0.07 -0.14 118.68 129.94 2b4j s LEU 74 Ca 0.03 0.86 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 2b4j s LEU 74 Cb -0.14 -2.83 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 2b4j s LEU 74 CO -0.12 -0.13 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.87 2b4j s VAL 75 N 1.22 2.29 -0.12 1.68 1.01 0.21 -1.53 120.40 125.16 2b4j s VAL 75 Ca 0.29 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2b4j s VAL 75 Cb -0.16 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2b4j s VAL 75 CO 0.12 0.56 -0.14 0.00 0.00 0.00 0.00 175.10 175.64 2b4j s ALA 76 N 0.22 2.61 -0.11 5.51 0.00 0.11 -1.53 121.76 128.58 2b4j s ALA 76 Ca -0.14 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 50.96 2b4j s ALA 76 Cb -0.17 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2b4j s ALA 76 CO 0.07 0.28 -0.23 0.08 0.00 0.00 0.00 175.76 175.96 2b4j s VAL 77 N 0.26 2.08 -0.56 0.00 1.01 0.14 -1.30 120.40 122.03 2b4j s VAL 77 Ca -0.09 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.62 2b4j s VAL 77 Cb -0.16 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.46 2b4j s VAL 77 CO 0.05 0.56 1.06 -2.28 0.00 0.00 0.00 175.10 174.49 2b4j s HIS 78 N 0.45 2.71 0.20 5.22 2.46 0.06 -0.39 115.29 126.00 2b4j s HIS 78 Ca -0.16 0.19 -0.11 0.00 0.47 0.00 0.00 55.06 55.46 2b4j s HIS 78 Cb -0.17 -4.28 0.24 0.00 -0.13 0.00 0.00 32.58 28.24 2b4j s HIS 78 CO 0.06 -1.46 1.75 0.28 -2.47 0.00 0.00 174.74 172.91 2b4j h VAL 79 N 6.09 0.81 -0.32 0.89 2.07 -1.81 0.40 116.25 124.37 2b4j h VAL 79 Ca -0.26 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2b4j h VAL 79 Cb 1.07 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2b4j h VAL 79 CO 1.13 0.07 0.17 0.00 0.02 0.00 0.00 177.57 178.97 2b4j h ALA 80 N 1.38 1.70 0.00 1.67 0.00 -1.80 -3.29 119.26 118.92 2b4j h ALA 80 Ca 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2b4j h ALA 80 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2b4j h ALA 80 CO -0.27 0.25 -1.47 -1.13 0.00 0.00 0.00 179.25 176.62 2b4j n SER 81 N -4.45 2.78 0.00 0.00 3.41 -1.01 -5.01 113.62 109.34 2b4j n SER 81 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2b4j n SER 81 Cb 0.10 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 2b4j n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b4j n GLY 82 N 2.03 0.57 3.77 5.00 0.00 0.10 -4.67 105.19 111.98 2b4j n GLY 82 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2b4j n GLY 82 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2b4j s TYR 83 N -2.44 2.66 0.17 1.61 6.14 -1.24 -4.80 117.35 119.46 2b4j s TYR 83 Ca 0.00 1.36 0.07 0.00 0.64 0.00 0.00 57.07 59.14 2b4j s TYR 83 Cb 0.00 -3.76 -0.04 0.00 0.42 0.00 0.00 41.96 38.58 2b4j s TYR 83 CO 0.00 -2.42 -0.14 0.96 0.64 0.00 0.00 175.55 174.60 2b4j s ILE 84 N -1.25 1.53 0.06 3.14 -4.36 -1.26 -0.76 121.20 118.30 2b4j s ILE 84 Ca 0.59 -2.06 0.05 0.00 -0.26 0.00 0.00 60.65 58.97 2b4j s ILE 84 Cb -0.40 -1.88 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 2b4j s ILE 84 CO 0.51 -0.58 -0.13 -1.61 0.24 0.00 0.00 174.94 173.37 2b4j s GLU 85 N -3.41 0.77 -0.02 0.37 2.02 -0.42 -4.94 118.70 113.07 2b4j s GLU 85 Ca 0.18 -0.90 -0.26 0.00 0.02 0.00 0.00 54.97 54.01 2b4j s GLU 85 Cb -0.01 -0.73 0.06 0.00 0.10 0.00 0.00 34.13 33.55 2b4j s GLU 85 CO 0.05 0.16 0.57 0.00 0.02 0.00 0.00 175.26 176.05 2b4j s ALA 86 N -1.27 -1.47 -0.22 5.21 0.00 -1.26 0.09 121.76 122.85 2b4j s ALA 86 Ca -0.03 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 52.66 2b4j s ALA 86 Cb -0.10 0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.19 2b4j s ALA 86 CO 0.02 -0.38 0.62 -2.00 0.00 0.00 0.00 175.76 174.01 2b4j s GLU 87 N -1.51 0.74 0.06 0.00 2.12 -0.58 -4.80 118.70 114.73 2b4j s GLU 87 Ca -0.10 0.80 -0.31 0.00 0.36 0.00 0.00 54.97 55.72 2b4j s GLU 87 Cb -0.01 0.36 -0.07 0.00 0.26 0.00 0.00 34.13 34.66 2b4j s GLU 87 CO 0.06 -0.10 1.51 0.08 -0.54 0.00 0.00 175.26 176.27 2b4j s VAL 88 N 0.19 3.30 0.05 3.70 1.01 -1.26 -0.75 120.40 126.64 2b4j s VAL 88 Ca -0.01 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.81 2b4j s VAL 88 Cb -0.04 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2b4j s VAL 88 CO 0.02 0.01 -0.13 0.27 0.00 0.00 0.00 175.10 175.27 2b4j s ILE 89 N 2.21 3.20 0.17 2.22 -4.36 -0.59 -4.95 121.20 119.11 2b4j s ILE 89 Ca 0.68 -1.12 0.35 0.00 -0.26 0.00 0.00 60.65 60.30 2b4j s ILE 89 Cb -0.36 -2.41 0.40 0.00 1.25 0.00 0.00 42.46 41.33 2b4j s ILE 89 CO 0.30 0.27 2.03 1.55 0.24 0.00 0.00 174.94 179.33 2b4j h PRO 90 N 4.20 0.00 -2.13 0.37 0.13 -1.96 -3.37 132.00 129.24 2b4j h PRO 90 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 2b4j h PRO 90 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 2b4j h PRO 90 CO 0.50 0.00 0.12 0.00 -0.23 0.00 0.00 178.00 178.39 2b4j s ALA 91 N -3.73 -1.64 -1.29 -0.56 0.00 -1.26 -4.95 121.76 108.34 2b4j s ALA 91 Ca 0.00 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 2b4j s ALA 91 Cb 0.09 -0.17 0.15 0.00 0.00 0.00 0.00 23.12 23.19 2b4j s ALA 91 CO 0.52 -0.35 1.80 -1.91 0.00 0.00 0.00 175.76 175.82 2b4j n GLU 92 N 1.24 3.43 -4.41 0.00 2.13 -1.26 -4.72 120.64 117.05 2b4j n GLU 92 Ca -0.18 -3.48 -0.20 0.00 0.66 0.00 0.00 57.16 53.95 2b4j n GLU 92 Cb 0.57 -3.04 -0.10 0.00 0.27 0.00 0.00 31.44 29.14 2b4j n GLU 92 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2b4j s THR 93 N 1.29 1.65 0.29 6.31 -4.23 -1.26 -4.55 115.64 115.14 2b4j s THR 93 Ca 0.42 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 2b4j s THR 93 Cb 0.07 -2.36 0.13 0.00 1.34 0.00 0.00 72.50 71.68 2b4j s THR 93 CO -0.00 -0.37 1.80 1.23 -0.54 0.00 0.00 174.62 176.74 2b4j h GLY 94 N 2.35 0.71 1.00 3.99 0.00 -1.85 -1.93 103.07 107.35 2b4j h GLY 94 Ca -0.39 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.48 2b4j h GLY 94 CO 0.66 0.43 0.32 -1.61 0.00 0.00 0.00 176.54 176.33 2b4j h GLN 95 N 0.62 0.65 -0.27 4.80 5.75 -1.94 0.35 115.11 125.08 2b4j h GLN 95 Ca 0.13 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.45 2b4j h GLN 95 Cb 0.42 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2b4j h GLN 95 CO 0.02 0.44 -0.37 0.93 -2.65 0.00 0.00 178.83 177.20 2b4j h GLU 96 N 0.66 0.61 -0.22 1.69 4.39 -1.80 -2.00 114.58 117.92 2b4j h GLU 96 Ca 0.18 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 2b4j h GLU 96 Cb -0.06 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2b4j h GLU 96 CO -0.04 0.89 -0.11 1.15 -1.16 0.00 0.00 179.01 179.74 2b4j h THR 97 N 0.51 1.31 -0.62 1.13 2.02 -0.97 -2.50 112.91 113.79 2b4j h THR 97 Ca 0.05 -1.19 0.05 0.00 0.77 0.00 0.00 66.41 66.10 2b4j h THR 97 Cb 0.87 1.62 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 2b4j h THR 97 CO 0.08 0.36 0.33 0.00 0.37 0.00 0.00 175.52 176.66 2b4j h ALA 98 N 0.70 0.81 -0.35 6.16 0.00 -0.25 -1.03 119.26 125.30 2b4j h ALA 98 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2b4j h ALA 98 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2b4j h ALA 98 CO 0.03 0.01 0.04 -0.92 0.00 0.00 0.00 179.25 178.41 2b4j h TYR 99 N 0.63 0.64 -0.52 0.00 3.20 -1.29 -0.85 116.97 118.78 2b4j h TYR 99 Ca 0.27 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2b4j h TYR 99 Cb 0.16 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 2b4j h TYR 99 CO -0.09 0.66 0.34 0.35 -1.64 0.00 0.00 178.16 177.79 2b4j h PHE 100 N 0.43 0.66 -0.74 -3.82 3.57 -1.21 -2.17 116.94 113.65 2b4j h PHE 100 Ca 0.11 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2b4j h PHE 100 Cb 0.38 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2b4j h PHE 100 CO 0.03 0.42 0.34 -0.07 -2.23 0.00 0.00 178.31 176.80 2b4j h LEU 101 N 0.70 0.98 -0.81 0.59 3.38 -0.95 -1.12 115.31 118.08 2b4j h LEU 101 Ca 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2b4j h LEU 101 Cb -0.07 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 2b4j h LEU 101 CO -0.04 0.85 0.49 -0.07 0.09 0.00 0.00 178.44 179.75 2b4j h LEU 102 N 1.04 0.97 -0.35 1.67 3.38 -0.85 0.67 115.31 121.85 2b4j h LEU 102 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2b4j h LEU 102 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2b4j h LEU 102 CO -0.03 0.75 0.16 0.11 0.09 0.00 0.00 178.44 179.53 2b4j h LYS 103 N 1.11 0.51 -0.62 1.13 1.57 -1.16 -2.78 116.57 116.33 2b4j h LYS 103 Ca 0.29 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 2b4j h LYS 103 Cb -0.04 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 2b4j h LYS 103 CO -0.05 0.47 0.35 1.25 -0.57 0.00 0.00 179.45 180.89 2b4j h LEU 104 N 0.43 0.54 -1.45 2.94 5.85 -0.85 -2.78 115.31 119.99 2b4j h LEU 104 Ca 0.12 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2b4j h LEU 104 Cb 0.13 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2b4j h LEU 104 CO -0.01 0.36 -0.26 0.00 -0.34 0.00 0.00 178.44 178.19 2b4j h ALA 105 N 1.30 1.30 0.00 1.25 0.00 -0.75 -2.11 119.26 120.25 2b4j h ALA 105 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2b4j h ALA 105 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2b4j h ALA 105 CO -0.15 0.33 0.00 0.78 0.00 0.00 0.00 179.25 180.21 2b4j h GLY 106 N 1.18 0.00 0.29 0.00 0.00 -1.22 -3.33 103.07 99.99 2b4j h GLY 106 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2b4j h GLY 106 CO 0.03 0.00 -2.22 -2.13 0.00 0.00 0.00 176.54 172.22 2b4j n ARG 107 N -2.86 0.68 -4.17 4.80 0.63 -0.90 -5.01 116.66 109.83 2b4j n ARG 107 Ca 0.04 0.15 -0.12 0.00 -0.92 0.00 0.00 57.85 57.00 2b4j n ARG 107 Cb 0.47 -1.61 -0.10 0.00 0.45 0.00 0.00 32.46 31.68 2b4j n ARG 107 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2b4j s TRP 108 N -2.53 0.95 -1.18 -0.14 0.52 -0.85 -5.07 118.94 110.64 2b4j s TRP 108 Ca -0.20 -0.80 -0.19 0.00 0.02 0.00 0.00 56.10 54.94 2b4j s TRP 108 Cb 0.07 -0.53 0.09 0.00 -1.15 0.00 0.00 33.47 31.95 2b4j s TRP 108 CO 0.74 -0.08 1.56 -1.25 0.02 0.00 0.00 176.95 177.94 2b4j s PRO 109 N -3.40 3.87 -0.35 4.98 0.04 -1.26 -4.57 135.00 134.31 2b4j s PRO 109 Ca 0.09 -1.85 -0.24 0.00 0.04 0.00 0.00 61.00 59.04 2b4j s PRO 109 Cb 0.02 -5.36 0.01 0.00 0.04 0.00 0.00 34.50 29.21 2b4j s PRO 109 CO -0.03 -2.12 0.84 0.08 0.04 0.00 0.00 177.00 175.81 2b4j s VAL 110 N 3.84 4.69 -0.18 -0.36 1.01 -1.26 -4.38 120.40 123.75 2b4j s VAL 110 Ca 0.48 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.59 2b4j s VAL 110 Cb 0.01 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 2b4j s VAL 110 CO 0.00 -0.43 -0.11 0.29 0.00 0.00 0.00 175.10 174.85 2b4j n LYS 111 N 6.50 0.77 -3.95 2.72 4.01 0.11 -4.58 118.16 123.74 2b4j n LYS 111 Ca 0.05 0.08 -0.16 0.00 -0.51 0.00 0.00 58.31 57.77 2b4j n LYS 111 Cb 0.48 -1.39 -0.15 0.00 -0.51 0.00 0.00 35.03 33.45 2b4j n LYS 111 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2b4j s THR 112 N -2.39 0.18 -0.17 -0.18 2.01 -0.75 -0.03 115.64 114.31 2b4j s THR 112 Ca -0.21 0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.82 2b4j s THR 112 Cb 0.06 -0.23 0.01 0.00 0.01 0.00 0.00 72.50 72.35 2b4j s THR 112 CO 0.50 0.11 -0.18 0.68 -0.69 0.00 0.00 174.62 175.05 2b4j s VAL 113 N 0.65 2.35 -0.19 3.82 -7.23 -0.59 -1.12 120.40 118.09 2b4j s VAL 113 Ca -0.06 -0.86 -0.15 0.00 -1.81 0.00 0.00 61.98 59.10 2b4j s VAL 113 Cb -0.09 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2b4j s VAL 113 CO -0.01 0.52 0.35 -1.00 -0.31 0.00 0.00 175.10 174.65 2b4j s HIS 114 N 1.05 3.39 0.21 2.82 3.76 0.31 -1.32 115.29 125.52 2b4j s HIS 114 Ca -0.01 0.58 0.03 0.00 -0.15 0.00 0.00 55.06 55.51 2b4j s HIS 114 Cb -0.14 -2.46 -0.05 0.00 1.11 0.00 0.00 32.58 31.04 2b4j s HIS 114 CO -0.06 0.06 0.01 0.95 -0.85 0.00 0.00 174.74 174.86 2b4j s THR 115 N 1.07 0.83 0.00 1.30 -4.23 -0.62 -1.36 115.64 112.64 2b4j s THR 115 Ca 0.17 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2b4j s THR 115 Cb -0.14 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.39 2b4j s THR 115 CO 0.07 -0.33 0.00 -0.90 -0.54 0.00 0.00 174.62 172.91 2b4j n ASP 116 N -0.36 0.00 -1.49 3.99 5.68 -1.26 -1.66 116.55 121.45 2b4j n ASP 116 Ca -0.05 -0.75 0.07 0.00 -0.50 0.00 0.00 54.79 53.56 2b4j n ASP 116 Cb 0.64 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.93 2b4j n ASP 116 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2b4j n ASN 117 N -2.24 4.40 -4.52 -1.12 4.13 -1.26 -4.61 115.26 110.03 2b4j n ASN 117 Ca 0.00 -2.54 -0.42 0.00 1.68 0.00 0.00 54.58 53.30 2b4j n ASN 117 Cb 0.00 -0.58 0.01 0.00 -1.54 0.00 0.00 39.78 37.67 2b4j n ASN 117 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2b4j n GLY 118 N 0.78 -0.91 0.33 7.41 0.00 -1.26 -4.67 105.19 106.87 2b4j n GLY 118 Ca 0.22 0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.52 2b4j n GLY 118 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2b4j h SER 119 N 1.15 0.48 0.33 1.61 0.87 -1.95 0.76 113.55 116.80 2b4j h SER 119 Ca -0.41 0.16 -0.11 0.00 -1.23 0.00 0.00 61.79 60.19 2b4j h SER 119 Cb 1.37 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.43 2b4j h SER 119 CO 0.54 -0.00 -0.46 -0.55 -0.53 0.00 0.00 176.83 175.83 2b4j h ASN 120 N 0.44 0.17 1.26 6.23 -1.07 -1.88 -2.50 115.58 118.23 2b4j h ASN 120 Ca 0.63 -0.08 -0.14 0.00 0.07 0.00 0.00 56.30 56.79 2b4j h ASN 120 Cb 1.27 -0.05 -0.02 0.00 -2.07 0.00 0.00 38.32 37.45 2b4j h ASN 120 CO -0.54 0.61 -0.76 -0.26 0.07 0.00 0.00 177.43 176.55 2b4j h PHE 121 N 0.13 0.00 -0.00 4.14 0.04 -1.20 -3.31 116.94 116.74 2b4j h PHE 121 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2b4j h PHE 121 Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 2b4j h PHE 121 CO 0.01 0.61 -0.40 0.25 -0.60 0.00 0.00 178.31 178.19 2b4j n THR 122 N -3.19 0.00 -1.48 -1.55 -2.24 -0.76 -4.73 114.28 100.33 2b4j n THR 122 Ca -0.01 -0.05 -0.45 0.00 -2.27 0.00 0.00 64.05 61.27 2b4j n THR 122 Cb 0.80 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 2b4j n THR 122 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2b4j n SER 123 N -1.16 -0.26 0.06 3.42 2.88 -0.94 -4.80 113.62 112.81 2b4j n SER 123 Ca 0.08 1.10 0.03 0.00 -1.33 0.00 0.00 58.87 58.75 2b4j n SER 123 Cb 0.34 -1.10 0.40 0.00 -0.75 0.00 0.00 64.21 63.09 2b4j n SER 123 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2b4j h THR 124 N 1.33 1.14 -0.19 2.46 2.02 -1.92 -1.62 112.91 116.13 2b4j h THR 124 Ca -0.35 -0.51 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 2b4j h THR 124 Cb 1.40 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2b4j h THR 124 CO 0.57 0.18 -0.38 0.00 0.37 0.00 0.00 175.52 176.26 2b4j h THR 125 N 0.40 1.30 -0.41 3.16 1.03 -1.90 -0.23 112.91 116.25 2b4j h THR 125 Ca 0.10 -1.49 -0.05 0.00 -0.01 0.00 0.00 66.41 64.95 2b4j h THR 125 Cb 0.18 1.57 -0.02 0.00 -1.07 0.00 0.00 68.15 68.82 2b4j h THR 125 CO -0.00 0.46 0.04 0.58 -0.01 0.00 0.00 175.52 176.59 2b4j h VAL 126 N 0.34 1.25 -1.00 0.00 2.07 -1.69 -2.01 116.25 115.21 2b4j h VAL 126 Ca 0.04 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.71 2b4j h VAL 126 Cb 0.82 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 2b4j h VAL 126 CO 0.07 0.32 0.64 0.11 0.02 0.00 0.00 177.57 178.73 2b4j h LYS 127 N 0.53 1.08 -0.46 1.57 1.57 -0.92 -1.10 116.57 118.85 2b4j h LYS 127 Ca 0.12 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2b4j h LYS 127 Cb 0.41 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2b4j h LYS 127 CO 0.01 0.72 0.11 0.00 -0.57 0.00 0.00 179.45 179.72 2b4j h ALA 128 N 1.48 0.61 -0.69 3.86 0.00 -0.83 -0.91 119.26 122.79 2b4j h ALA 128 Ca 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2b4j h ALA 128 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2b4j h ALA 128 CO -0.20 0.30 0.40 0.00 0.00 0.00 0.00 179.25 179.75 2b4j h ALA 129 N 0.98 0.88 -0.48 0.00 0.00 -1.02 0.44 119.26 120.06 2b4j h ALA 129 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2b4j h ALA 129 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2b4j h ALA 129 CO 0.00 0.38 0.02 0.00 0.00 0.00 0.00 179.25 179.64 2b4j h TRP 131 N 0.70 0.08 -0.77 0.00 7.01 -1.06 0.60 115.95 122.52 2b4j h TRP 131 Ca 0.14 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.14 2b4j h TRP 131 Cb 0.48 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.48 2b4j h TRP 131 CO 0.04 0.16 0.51 2.35 -2.79 0.00 0.00 178.44 178.70 2b4j h TRP 132 N -0.02 0.96 -0.01 2.65 7.01 -0.67 -2.54 115.95 123.34 2b4j h TRP 132 Ca 0.02 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.04 2b4j h TRP 132 Cb 0.11 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2b4j h TRP 132 CO -0.04 0.60 -0.06 0.00 -2.79 0.00 0.00 178.44 176.15 2b4j n ALA 133 N -2.31 2.71 -2.23 2.65 0.00 -0.43 -4.94 120.51 115.95 2b4j n ALA 133 Ca 0.08 -0.33 -0.05 0.00 0.00 0.00 0.00 53.44 53.14 2b4j n ALA 133 Cb 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2b4j n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b4j n GLY 134 N 1.19 0.29 3.65 0.00 0.00 -0.48 -5.03 105.19 104.81 2b4j n GLY 134 Ca 0.18 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 2b4j n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b4j s ILE 135 N -2.41 4.86 -0.12 -0.61 1.01 0.20 -4.81 121.20 119.32 2b4j s ILE 135 Ca 0.03 -0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.40 2b4j s ILE 135 Cb -0.01 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 2b4j s ILE 135 CO 0.03 0.47 0.87 -0.75 0.00 0.00 0.00 174.94 175.57 2b4j s LYS 136 N 0.27 4.38 -0.17 2.79 2.20 0.95 -4.34 119.74 125.83 2b4j s LYS 136 Ca 0.04 1.14 -0.13 0.00 -0.36 0.00 0.00 55.97 56.66 2b4j s LYS 136 Cb -0.12 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 2b4j s LYS 136 CO 0.00 -0.24 0.25 -1.14 -0.36 0.00 0.00 175.35 173.87 2b4j s GLN 137 N 1.79 4.22 -0.10 4.03 0.74 -1.26 -1.54 119.66 127.53 2b4j s GLN 137 Ca 0.42 0.01 0.03 0.00 0.05 0.00 0.00 55.36 55.87 2b4j s GLN 137 Cb -0.18 -3.42 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 2b4j s GLN 137 CO 0.16 0.27 -0.18 -1.21 -0.55 0.00 0.00 175.29 173.79 2b4j s GLU 138 N 0.39 3.00 0.24 1.67 2.02 -0.44 -4.97 118.70 120.62 2b4j s GLU 138 Ca 0.14 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.40 2b4j s GLU 138 Cb -0.12 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 2b4j s GLU 138 CO 0.02 0.31 0.38 -0.06 0.02 0.00 0.00 175.26 175.94 2b4j s PHE 139 N 0.05 3.46 -1.49 1.61 0.40 -1.26 -1.59 117.98 119.17 2b4j s PHE 139 Ca -0.07 0.07 -0.08 0.00 -0.60 0.00 0.00 56.93 56.25 2b4j s PHE 139 Cb -0.15 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.74 2b4j s PHE 139 CO 0.05 0.40 2.70 0.41 0.70 0.00 0.00 175.22 179.48 2b4j n GLY 140 N -1.33 4.69 3.01 4.36 0.00 -0.66 -4.84 105.19 110.42 2b4j n GLY 140 Ca -0.08 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 2b4j n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b4j s ILE 141 N 0.67 1.56 0.66 -0.61 1.01 -1.26 -2.48 121.20 120.75 2b4j s ILE 141 Ca 0.63 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 2b4j s ILE 141 Cb 0.18 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 2b4j s ILE 141 CO -0.08 0.37 1.05 -2.16 0.00 0.00 0.00 174.94 174.13 2b4j s PRO 142 N 1.48 3.12 0.16 2.79 0.04 -1.26 -5.08 135.00 136.24 2b4j s PRO 142 Ca 0.03 1.02 -0.34 0.00 0.04 0.00 0.00 61.00 61.75 2b4j s PRO 142 Cb -0.14 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.24 2b4j s PRO 142 CO -0.10 -0.96 1.42 0.98 0.04 0.00 0.00 177.00 178.38 2b4j n TYR 143 N -2.73 1.91 -3.89 0.56 9.36 -1.03 -4.97 117.16 116.37 2b4j n TYR 143 Ca 0.08 0.46 -0.34 0.00 3.32 0.00 0.00 57.90 61.41 2b4j n TYR 143 Cb 0.53 -2.43 -0.13 0.00 -0.63 0.00 0.00 39.34 36.68 2b4j n TYR 143 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2b4j s ASN 144 N 0.53 5.00 0.30 2.98 3.84 -1.26 -4.99 114.94 121.34 2b4j s ASN 144 Ca 0.77 -1.88 0.02 0.00 0.21 0.00 0.00 52.86 51.98 2b4j s ASN 144 Cb -0.77 -1.73 0.57 0.00 -0.55 0.00 0.00 41.25 38.77 2b4j s ASN 144 CO 0.45 -0.42 1.87 -0.65 -2.79 0.00 0.00 177.10 175.55 2b4j h PRO 145 N 7.90 0.95 0.54 0.43 0.11 -1.98 -0.94 132.00 139.02 2b4j h PRO 145 Ca -0.12 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 2b4j h PRO 145 Cb 1.04 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.94 2b4j h PRO 145 CO 0.60 0.63 -0.26 1.96 -0.21 0.00 0.00 178.00 180.72 2b4j h GLN 146 N 0.98 -0.70 -0.93 1.05 4.20 -1.99 0.22 115.11 117.95 2b4j h GLN 146 Ca 0.45 0.05 0.08 0.00 0.06 0.00 0.00 58.65 59.29 2b4j h GLN 146 Cb 0.41 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 2b4j h GLN 146 CO -0.21 -0.45 0.60 1.03 -0.67 0.00 0.00 178.83 179.13 2b4j h SER 147 N -0.75 0.92 0.93 1.46 0.87 -1.94 -1.83 113.55 113.21 2b4j h SER 147 Ca -0.07 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.39 2b4j h SER 147 Cb 0.57 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2b4j h SER 147 CO 0.12 0.57 -0.50 -0.61 -0.53 0.00 0.00 176.83 175.88 2b4j h GLN 148 N 1.03 0.00 -0.79 2.24 5.75 -0.93 -3.08 115.11 119.34 2b4j h GLN 148 Ca 0.41 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.87 2b4j h GLN 148 Cb 0.25 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 2b4j h GLN 148 CO -0.17 0.50 0.34 0.78 -2.65 0.00 0.00 178.83 177.63 2b4j h GLY 149 N 2.36 1.25 0.99 2.39 0.00 0.27 -0.15 103.07 110.18 2b4j h GLY 149 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2b4j h GLY 149 CO 0.06 0.62 0.09 -2.08 0.00 0.00 0.00 176.54 175.23 2b4j h VAL 150 N 1.14 1.03 -0.11 4.60 2.07 -1.39 0.88 116.25 124.47 2b4j h VAL 150 Ca 0.27 -0.06 -0.20 0.00 0.82 0.00 0.00 66.70 67.52 2b4j h VAL 150 Cb 0.18 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2b4j h VAL 150 CO -0.03 0.03 -0.73 -0.29 0.02 0.00 0.00 177.57 176.58 2b4j h ILE 151 N 0.18 1.31 -0.97 4.57 6.09 -1.48 -2.34 117.51 124.87 2b4j h ILE 151 Ca 0.05 -1.98 0.13 0.00 -1.37 0.00 0.00 64.86 61.70 2b4j h ILE 151 Cb -0.02 2.15 -0.08 0.00 0.47 0.00 0.00 36.82 39.34 2b4j h ILE 151 CO -0.02 0.61 0.61 -0.33 -3.07 0.00 0.00 178.15 175.96 2b4j h GLU 152 N 0.35 0.85 -0.29 2.19 4.39 -0.96 0.10 114.58 121.20 2b4j h GLU 152 Ca -0.06 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 2b4j h GLU 152 Cb 1.37 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2b4j h GLU 152 CO 0.15 0.56 -0.04 1.03 -1.16 0.00 0.00 179.01 179.55 2b4j h SER 153 N 0.88 0.54 -0.49 1.42 0.87 -0.77 -1.71 113.55 114.29 2b4j h SER 153 Ca 0.49 -0.34 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2b4j h SER 153 Cb 0.60 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2b4j h SER 153 CO -0.26 0.76 -0.00 -0.03 -0.53 0.00 0.00 176.83 176.77 2b4j h MET 154 N 0.32 0.87 -0.88 2.24 1.85 -0.88 -0.50 114.93 117.95 2b4j h MET 154 Ca 0.08 -0.28 -0.02 0.00 -0.61 0.00 0.00 59.70 58.88 2b4j h MET 154 Cb 0.50 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.41 2b4j h MET 154 CO 0.02 0.90 0.49 -0.91 -0.40 0.00 0.00 176.91 177.02 2b4j h ASN 155 N 0.72 1.09 -0.32 1.39 2.35 -0.93 0.27 115.58 120.15 2b4j h ASN 155 Ca 0.14 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.63 2b4j h ASN 155 Cb 0.51 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 2b4j h ASN 155 CO 0.03 0.87 -0.43 0.11 -1.65 0.00 0.00 177.43 176.36 2b4j h LYS 156 N 1.22 0.86 -0.40 0.81 1.57 -1.18 -1.76 116.57 117.70 2b4j h LYS 156 Ca 0.31 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2b4j h LYS 156 Cb 0.02 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2b4j h LYS 156 CO -0.05 1.13 0.16 1.49 -0.57 0.00 0.00 179.45 181.61 2b4j h GLU 157 N 0.64 0.60 -0.31 3.15 4.57 -0.82 -1.63 114.58 120.78 2b4j h GLU 157 Ca 0.04 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2b4j h GLU 157 Cb 1.03 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 2b4j h GLU 157 CO 0.10 0.57 0.17 1.25 -1.18 0.00 0.00 179.01 179.92 2b4j h LEU 158 N 0.50 0.40 -1.31 1.64 5.85 -0.39 -2.13 115.31 119.87 2b4j h LEU 158 Ca 0.13 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2b4j h LEU 158 Cb 0.20 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2b4j h LEU 158 CO -0.01 0.38 0.34 0.11 -0.34 0.00 0.00 178.44 178.91 2b4j h LYS 159 N 0.39 0.81 -0.32 1.25 1.57 -1.28 0.71 116.57 119.70 2b4j h LYS 159 Ca 0.11 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2b4j h LYS 159 Cb 0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2b4j h LYS 159 CO -0.02 0.59 0.11 -0.22 -0.57 0.00 0.00 179.45 179.34 2b4j h LYS 160 N 0.82 0.49 -0.25 3.15 3.64 -0.93 -1.24 116.57 122.26 2b4j h LYS 160 Ca 0.21 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2b4j h LYS 160 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2b4j h LYS 160 CO -0.04 0.52 0.09 0.82 -2.27 0.00 0.00 179.45 178.57 2b4j h ILE 161 N 0.36 1.19 -0.96 2.00 2.04 -1.06 -1.82 117.51 119.27 2b4j h ILE 161 Ca 0.10 -0.59 0.14 0.00 1.00 0.00 0.00 64.86 65.51 2b4j h ILE 161 Cb 0.22 1.11 -0.09 0.00 -0.74 0.00 0.00 36.82 37.32 2b4j h ILE 161 CO -0.01 0.19 0.57 0.40 0.00 0.00 0.00 178.15 179.31 2b4j h ILE 162 N 0.24 0.83 -0.45 -0.67 2.04 -0.74 0.26 117.51 119.03 2b4j h ILE 162 Ca 0.08 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2b4j h ILE 162 Cb 0.22 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 2b4j h ILE 162 CO -0.00 0.15 0.06 1.23 0.00 0.00 0.00 178.15 179.59 2b4j h GLY 163 N 0.85 0.76 1.67 5.37 0.00 -0.90 0.51 103.07 111.34 2b4j h GLY 163 Ca 0.50 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 2b4j h GLY 163 CO -0.31 0.42 -0.48 1.46 0.00 0.00 0.00 176.54 177.63 2b4j h GLN 164 N 0.68 0.36 -0.02 4.80 4.20 -0.12 -3.26 115.11 121.75 2b4j h GLN 164 Ca 0.15 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2b4j h GLN 164 Cb 0.33 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2b4j h GLN 164 CO 0.01 0.77 -0.19 1.33 -0.67 0.00 0.00 178.83 180.07 2b4j n VAL 165 N -3.97 0.00 -0.35 -0.54 0.24 -0.76 -4.73 118.33 108.22 2b4j n VAL 165 Ca -0.02 -0.41 0.14 0.00 -2.04 0.00 0.00 64.34 62.01 2b4j n VAL 165 Cb 0.54 1.28 0.33 0.00 -1.47 0.00 0.00 33.84 34.53 2b4j n VAL 165 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2b4j h ARG 166 N 2.65 0.69 0.00 7.34 9.65 -0.02 0.94 114.38 135.63 2b4j h ARG 166 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2b4j h ARG 166 Cb 0.66 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2b4j h ARG 166 CO 0.00 0.46 0.00 -0.40 2.80 0.00 0.00 179.97 182.83 2b4j n ASP 167 N -4.80 0.00 -0.25 -3.80 5.75 -1.26 -3.07 116.55 109.11 2b4j n ASP 167 Ca 0.24 -1.08 0.11 0.00 -0.01 0.00 0.00 54.79 54.06 2b4j n ASP 167 Cb 0.61 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.81 2b4j n ASP 167 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2b4j n GLN 168 N -0.86 0.67 -3.99 0.11 6.02 0.33 -4.90 117.38 114.76 2b4j n GLN 168 Ca 0.14 -0.50 -0.09 0.00 -0.01 0.00 0.00 57.00 56.53 2b4j n GLN 168 Cb 0.07 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.73 2b4j n GLN 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b4j s ALA 169 N -2.67 0.18 -0.01 -1.58 0.00 -1.18 -5.05 121.76 111.46 2b4j s ALA 169 Ca 0.17 -0.62 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 2b4j s ALA 169 Cb 0.18 0.14 -0.18 0.00 0.00 0.00 0.00 23.12 23.26 2b4j s ALA 169 CO 0.64 -0.15 1.23 1.49 0.00 0.00 0.00 175.76 178.98 2b4j h GLU 170 N 4.61 -0.19 -5.71 0.00 4.57 -1.91 -3.46 114.58 112.50 2b4j h GLU 170 Ca -0.32 0.01 -0.67 0.00 -1.18 0.00 0.00 59.36 57.20 2b4j h GLU 170 Cb 1.21 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.76 2b4j h GLU 170 CO 0.41 0.19 -0.50 -1.01 -1.18 0.00 0.00 179.01 176.92 2b4j s HIS 171 N -4.45 3.53 0.29 0.92 3.76 -1.26 -5.00 115.29 113.08 2b4j s HIS 171 Ca -0.15 0.46 0.01 0.00 -0.15 0.00 0.00 55.06 55.23 2b4j s HIS 171 Cb 0.02 -1.90 0.55 0.00 1.11 0.00 0.00 32.58 32.36 2b4j s HIS 171 CO 0.59 0.69 1.86 1.25 -0.85 0.00 0.00 174.74 178.28 2b4j h LEU 172 N 4.83 0.92 -1.71 0.89 5.85 -1.95 -2.03 115.31 122.10 2b4j h LEU 172 Ca -0.54 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.28 2b4j h LEU 172 Cb 1.22 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2b4j h LEU 172 CO 0.59 0.52 0.30 0.07 -0.34 0.00 0.00 178.44 179.58 2b4j h LYS 173 N 1.00 0.34 -0.03 1.25 2.10 -1.96 0.27 116.57 119.54 2b4j h LYS 173 Ca 0.47 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 58.96 2b4j h LYS 173 Cb 0.42 -0.08 0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2b4j h LYS 173 CO -0.23 0.23 -0.53 1.15 -2.00 0.00 0.00 179.45 178.07 2b4j h THR 174 N 0.35 1.42 -0.22 0.07 2.02 -1.79 -3.14 112.91 111.63 2b4j h THR 174 Ca 0.20 -1.98 -0.04 0.00 0.77 0.00 0.00 66.41 65.35 2b4j h THR 174 Cb 0.32 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2b4j h THR 174 CO -0.05 0.58 -0.04 0.00 0.37 0.00 0.00 175.52 176.38 2b4j h ALA 175 N 0.36 1.52 -0.28 6.16 0.00 -1.07 -0.25 119.26 125.70 2b4j h ALA 175 Ca -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2b4j h ALA 175 Cb 1.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2b4j h ALA 175 CO 0.11 0.35 0.12 0.28 0.00 0.00 0.00 179.25 180.10 2b4j h VAL 176 N 0.33 1.17 -0.51 0.00 2.07 -0.54 -0.24 116.25 118.53 2b4j h VAL 176 Ca 0.07 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 2b4j h VAL 176 Cb 0.30 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2b4j h VAL 176 CO 0.01 0.17 -0.00 1.56 0.02 0.00 0.00 177.57 179.33 2b4j h GLN 177 N 0.30 0.86 -0.51 1.57 1.08 -1.32 0.33 115.11 117.42 2b4j h GLN 177 Ca 0.09 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2b4j h GLN 177 Cb 0.17 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 2b4j h GLN 177 CO -0.01 0.86 0.29 0.52 -0.95 0.00 0.00 178.83 179.55 2b4j h MET 178 N 0.80 0.56 -0.51 1.46 2.86 -0.86 -1.42 114.93 117.81 2b4j h MET 178 Ca 0.15 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 2b4j h MET 178 Cb 0.48 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 2b4j h MET 178 CO 0.02 0.37 -0.08 0.00 1.06 0.00 0.00 176.91 178.28 2b4j h ALA 179 N 1.24 0.88 -0.47 6.32 0.00 -0.32 -1.58 119.26 125.33 2b4j h ALA 179 Ca 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2b4j h ALA 179 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2b4j h ALA 179 CO -0.11 0.64 0.21 0.28 0.00 0.00 0.00 179.25 180.27 2b4j h VAL 180 N 0.84 1.20 0.07 0.00 2.07 -0.83 -0.04 116.25 119.56 2b4j h VAL 180 Ca 0.14 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2b4j h VAL 180 Cb 0.61 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2b4j h VAL 180 CO 0.04 0.22 -0.19 0.15 0.02 0.00 0.00 177.57 177.81 2b4j h PHE 181 N 0.62 -0.50 -0.43 1.57 3.04 -0.98 0.14 116.94 120.41 2b4j h PHE 181 Ca 0.16 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.14 2b4j h PHE 181 Cb 0.16 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 2b4j h PHE 181 CO -0.00 -0.28 0.26 0.82 -2.02 0.00 0.00 178.31 177.09 2b4j h ILE 182 N -0.35 1.05 0.02 1.41 2.04 -1.24 0.05 117.51 120.50 2b4j h ILE 182 Ca 0.03 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.73 2b4j h ILE 182 Cb 0.38 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2b4j h ILE 182 CO -0.13 0.10 -0.07 -0.74 0.00 0.00 0.00 178.15 177.31 2b4j h HIS 183 N 0.52 -0.18 0.00 1.37 2.76 -0.79 -2.43 115.15 116.40 2b4j h HIS 183 Ca 0.17 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 2b4j h HIS 183 Cb -0.00 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 2b4j h HIS 183 CO -0.07 -0.11 -0.28 -0.91 -1.30 0.00 0.00 177.93 175.26 2b4j h ASN 184 N -0.14 0.00 0.56 3.26 2.35 -0.62 -3.15 115.58 117.84 2b4j h ASN 184 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2b4j h ASN 184 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2b4j h ASN 184 CO -0.06 0.28 -0.72 0.29 -1.65 0.00 0.00 177.43 175.58 2b4j n LYS 185 N -3.43 0.17 -2.24 0.81 4.76 -0.03 -1.21 118.16 116.98 2b4j n LYS 185 Ca 0.00 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 2b4j n LYS 185 Cb 0.46 -1.58 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 2b4j n LYS 185 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2b4j s LYS 186 N -3.11 4.25 -0.17 1.97 2.20 -0.92 -4.78 119.74 119.18 2b4j s LYS 186 Ca 0.07 1.91 -0.29 0.00 -0.36 0.00 0.00 55.97 57.30 2b4j s LYS 186 Cb 0.15 -3.72 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 2b4j s LYS 186 CO 0.74 -0.67 1.24 1.03 -0.36 0.00 0.00 175.35 177.34 2b4j s ARG 187 N 3.08 4.24 0.02 4.03 1.81 -1.26 -4.22 118.95 126.64 2b4j s ARG 187 Ca 0.63 1.63 -0.03 0.00 -1.72 0.00 0.00 55.73 56.24 2b4j s ARG 187 Cb -0.29 -3.75 -0.01 0.00 -0.45 0.00 0.00 34.95 30.46 2b4j s ARG 187 CO 0.24 -0.69 0.04 -1.54 -0.68 0.00 0.00 175.30 172.67 2b4j s SER 195 N 1.89 0.17 0.25 0.23 1.04 -1.26 -5.22 113.70 110.80 2b4j s SER 195 Ca 0.54 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 56.50 2b4j s SER 195 Cb -0.21 0.15 0.29 0.00 0.10 0.00 0.00 66.02 66.35 2b4j s SER 195 CO 0.14 -0.35 1.93 0.00 0.98 0.00 0.00 173.24 175.93 2b4j h ALA 196 N 4.38 1.30 -0.91 5.32 0.00 -1.72 -1.16 119.26 126.47 2b4j h ALA 196 Ca -0.32 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.56 2b4j h ALA 196 Cb 1.20 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2b4j h ALA 196 CO 0.42 0.64 0.60 0.78 0.00 0.00 0.00 179.25 181.69 2b4j h GLY 197 N 1.34 1.30 1.25 0.00 0.00 -1.50 -1.31 103.07 104.15 2b4j h GLY 197 Ca 0.38 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 2b4j h GLY 197 CO -0.09 0.40 -0.48 0.83 0.00 0.00 0.00 176.54 177.20 2b4j h GLU 198 N 1.16 0.80 -0.71 4.80 5.08 -1.73 -3.27 114.58 120.71 2b4j h GLU 198 Ca 0.36 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2b4j h GLU 198 Cb -0.01 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2b4j h GLU 198 CO -0.10 1.10 0.16 0.00 -1.00 0.00 0.00 179.01 179.17 2b4j h ARG 199 N 0.63 1.14 -0.31 2.33 3.08 -0.54 -1.70 114.38 119.00 2b4j h ARG 199 Ca 0.03 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 2b4j h ARG 199 Cb 1.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2b4j h ARG 199 CO 0.11 1.01 0.04 0.97 -1.07 0.00 0.00 179.97 181.02 2b4j h ILE 200 N 1.07 1.24 -0.19 2.04 2.10 -1.35 0.27 117.51 122.69 2b4j h ILE 200 Ca 0.22 -0.85 -0.11 0.00 1.08 0.00 0.00 64.86 65.20 2b4j h ILE 200 Cb 0.39 1.19 -0.01 0.00 -1.09 0.00 0.00 36.82 37.30 2b4j h ILE 200 CO 0.00 0.28 -0.37 -0.37 -1.08 0.00 0.00 178.15 176.61 2b4j h VAL 201 N 0.34 1.30 -0.31 2.19 -1.51 -1.60 0.75 116.25 117.41 2b4j h VAL 201 Ca 0.09 -1.48 -0.13 0.00 -1.23 0.00 0.00 66.70 63.96 2b4j h VAL 201 Cb 0.37 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 2b4j h VAL 201 CO 0.01 0.46 -0.33 -0.78 -1.23 0.00 0.00 177.57 175.69 2b4j h ASP 202 N 0.35 0.72 -0.21 4.19 3.58 -1.13 0.37 116.42 124.28 2b4j h ASP 202 Ca 0.04 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.15 2b4j h ASP 202 Cb 0.81 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 2b4j h ASP 202 CO 0.07 0.99 -0.04 0.40 -2.88 0.00 0.00 179.24 177.78 2b4j h ILE 203 N 0.58 1.28 -0.36 2.25 2.04 -0.12 -2.93 117.51 120.24 2b4j h ILE 203 Ca 0.06 -1.00 -0.11 0.00 1.00 0.00 0.00 64.86 64.82 2b4j h ILE 203 Cb 0.84 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2b4j h ILE 203 CO 0.07 0.30 -0.19 0.40 0.00 0.00 0.00 178.15 178.74 2b4j h ILE 204 N 0.13 1.28 -0.48 -0.67 1.08 -0.78 -2.06 117.51 116.01 2b4j h ILE 204 Ca 0.06 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.21 2b4j h ILE 204 Cb 0.47 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 2b4j h ILE 204 CO 0.02 0.44 0.32 0.00 -0.69 0.00 0.00 178.15 178.23 2b4j h ALA 205 N 0.79 0.61 -0.05 1.87 0.00 -0.34 0.29 119.26 122.43 2b4j h ALA 205 Ca 0.08 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2b4j h ALA 205 Cb 0.74 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2b4j h ALA 205 CO 0.06 0.06 -0.62 0.00 0.00 0.00 0.00 179.25 178.74 2b4j h THR 206 N 0.65 1.40 -0.47 0.00 1.03 -1.55 -2.85 112.91 111.12 2b4j h THR 206 Ca 0.18 -2.04 -0.00 0.00 -0.01 0.00 0.00 66.41 64.54 2b4j h THR 206 Cb -0.08 2.05 -0.02 0.00 -1.07 0.00 0.00 68.15 69.03 2b4j h THR 206 CO -0.04 0.60 0.28 -0.78 -0.01 0.00 0.00 175.52 175.57 2b4j h ASP 207 N 0.15 0.57 0.00 0.00 3.58 -1.02 -3.52 116.42 116.18 2b4j h ASP 207 Ca -0.01 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2b4j h ASP 207 Cb 1.13 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2b4j h ASP 207 CO 0.09 0.47 0.00 -0.38 -2.88 0.00 0.00 179.24 176.54