#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4h s ALA 54 N 0.00 2.19 0.00 3.04 0.00 -1.26 -4.46 121.76 121.27 2a4h s ALA 54 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2a4h s ALA 54 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.86 2a4h s ALA 54 CO 0.00 -3.79 0.00 0.43 0.00 0.00 0.00 175.76 172.40 2a4h n SER 55 N 12.91 0.00 -3.58 0.00 7.64 -1.26 -4.34 113.62 124.99 2a4h n SER 55 Ca 0.24 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.05 2a4h n SER 55 Cb 0.52 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 2a4h n SER 55 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2a4h s HIS 56 N 0.00 -0.91 -0.52 1.43 5.65 -1.26 -5.12 115.29 114.56 2a4h s HIS 56 Ca 0.00 1.52 -0.26 0.00 0.25 0.00 0.00 55.06 56.58 2a4h s HIS 56 Cb 0.00 0.33 0.03 0.00 -1.18 0.00 0.00 32.58 31.77 2a4h s HIS 56 CO 0.00 -0.57 0.99 -1.58 -0.65 0.00 0.00 174.74 172.94 2a4h s HIS 57 N 2.65 2.81 0.00 3.88 5.65 -1.26 -4.86 115.29 124.16 2a4h s HIS 57 Ca 0.01 0.25 0.00 0.00 0.25 0.00 0.00 55.06 55.58 2a4h s HIS 57 Cb -0.13 -4.14 0.00 0.00 -1.18 0.00 0.00 32.58 27.14 2a4h s HIS 57 CO -0.14 -1.30 0.00 1.58 -0.65 0.00 0.00 174.74 174.23 2a4h n HIS 58 N 7.55 0.00 -2.80 3.88 -0.00 -1.26 -5.10 115.22 117.49 2a4h n HIS 58 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.74 2a4h n HIS 58 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.44 2a4h n HIS 58 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2a4h n HIS 59 N -2.48 -2.70 0.00 1.57 -0.00 -1.26 -5.02 115.22 105.33 2a4h n HIS 59 Ca 0.00 1.56 0.00 0.00 -0.00 0.00 0.00 57.72 59.28 2a4h n HIS 59 Cb 0.00 -2.76 0.00 0.00 -0.00 0.00 0.00 29.99 27.23 2a4h n HIS 59 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2a4h n HIS 60 N 2.02 -0.51 -2.76 1.57 -0.00 -1.26 -5.13 115.22 109.15 2a4h n HIS 60 Ca -0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.45 2a4h n HIS 60 Cb 0.40 0.44 -0.01 0.00 -0.00 0.00 0.00 29.99 30.81 2a4h n HIS 60 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2a4h n HIS 61 N -2.32 -3.49 -2.85 1.57 -0.00 -1.26 -4.94 115.22 101.92 2a4h n HIS 61 Ca 0.00 1.73 -0.40 0.00 -0.00 0.00 0.00 57.72 59.04 2a4h n HIS 61 Cb 0.00 -3.49 -0.05 0.00 -0.00 0.00 0.00 29.99 26.44 2a4h n HIS 61 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2a4h s LEU 62 N -1.20 4.55 0.06 0.27 2.96 -1.26 -5.03 118.68 119.03 2a4h s LEU 62 Ca -0.08 1.72 -0.28 0.00 -0.22 0.00 0.00 54.13 55.27 2a4h s LEU 62 Cb 0.01 -3.44 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 2a4h s LEU 62 CO 0.66 0.08 0.89 -0.62 -1.32 0.00 0.00 176.35 176.04 2a4h s ASP 63 N -0.61 7.35 -0.45 3.68 2.15 -1.26 -4.96 116.67 122.56 2a4h s ASP 63 Ca 0.41 1.62 0.04 0.00 0.43 0.00 0.00 52.55 55.04 2a4h s ASP 63 Cb -0.23 -2.54 0.52 0.00 -0.30 0.00 0.00 42.92 40.37 2a4h s ASP 63 CO 0.28 -0.09 1.71 0.00 -0.17 0.00 0.00 175.17 176.91 2a4h n GLN 64 N 3.10 2.53 -2.19 4.34 10.64 -1.26 -5.02 117.38 129.52 2a4h n GLN 64 Ca 0.01 -3.36 -0.41 0.00 -1.83 0.00 0.00 57.00 51.41 2a4h n GLN 64 Cb 0.50 -2.14 -0.03 0.00 -0.86 0.00 0.00 30.24 27.71 2a4h n GLN 64 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2a4h s GLN 65 N -3.52 4.39 -0.49 2.61 0.74 -1.26 -4.93 119.66 117.21 2a4h s GLN 65 Ca 0.55 2.11 -0.27 0.00 0.05 0.00 0.00 55.36 57.80 2a4h s GLN 65 Cb 0.46 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 31.40 2a4h s GLN 65 CO 0.03 -0.19 1.85 -1.25 -0.55 0.00 0.00 175.29 175.18 2a4h s PRO 66 N -0.87 2.91 -0.42 1.67 0.04 -1.26 -4.83 135.00 132.23 2a4h s PRO 66 Ca 0.53 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2a4h s PRO 66 Cb -0.38 -4.31 0.20 0.00 0.04 0.00 0.00 34.50 30.05 2a4h s PRO 66 CO 0.44 -2.38 0.90 0.00 0.04 0.00 0.00 177.00 176.01 2a4h s ALA 67 N 8.28 -3.31 -0.13 8.56 0.00 -1.26 -5.00 121.76 128.89 2a4h s ALA 67 Ca 0.74 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 2a4h s ALA 67 Cb -0.17 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2a4h s ALA 67 CO 0.27 -2.38 -0.25 0.00 0.00 0.00 0.00 175.76 173.40 2a4h n ALA 68 N 2.95 0.62 0.33 0.00 0.00 -1.26 -4.81 120.51 118.34 2a4h n ALA 68 Ca 0.14 -0.65 0.03 0.00 0.00 0.00 0.00 53.44 52.97 2a4h n ALA 68 Cb 0.60 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 2a4h n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a4h n GLN 69 N -3.89 4.52 -4.24 0.00 0.00 -1.26 -5.02 117.38 107.48 2a4h n GLN 69 Ca -0.10 -0.03 -0.36 0.00 0.00 0.00 0.00 57.00 56.51 2a4h n GLN 69 Cb 0.36 -0.84 -0.06 0.00 0.00 0.00 0.00 30.24 29.70 2a4h n GLN 69 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2a4h n ARG 70 N -1.12 -0.79 -0.62 2.61 1.85 -1.26 -4.87 116.66 112.46 2a4h n ARG 70 Ca 0.01 0.09 -0.30 0.00 -1.00 0.00 0.00 57.85 56.66 2a4h n ARG 70 Cb 0.11 -3.28 0.18 0.00 -1.05 0.00 0.00 32.46 28.42 2a4h n ARG 70 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2a4h n THR 71 N -4.73 0.00 -4.65 8.89 -2.24 -1.26 -4.99 114.28 105.29 2a4h n THR 71 Ca -0.26 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.01 2a4h n THR 71 Cb 0.66 -0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 2a4h n THR 71 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2a4h s TYR 72 N -2.20 1.87 0.09 4.78 1.51 0.45 -4.97 117.35 118.87 2a4h s TYR 72 Ca 0.54 -0.38 0.11 0.00 -1.01 0.00 0.00 57.07 56.32 2a4h s TYR 72 Cb -0.11 -1.11 0.04 0.00 -0.11 0.00 0.00 41.96 40.68 2a4h s TYR 72 CO 0.60 0.10 1.42 0.00 -1.11 0.00 0.00 175.55 176.57 2a4h h ALA 73 N 4.82 0.60 -2.57 3.71 0.00 -1.80 -3.35 119.26 120.67 2a4h h ALA 73 Ca -0.43 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 53.70 2a4h h ALA 73 Cb 1.16 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.67 2a4h h ALA 73 CO 0.44 0.95 -0.29 0.21 0.00 0.00 0.00 179.25 180.55 2a4h s LYS 74 N -3.02 0.83 -0.11 0.00 2.20 -0.29 -4.89 119.74 114.46 2a4h s LYS 74 Ca 0.01 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.64 2a4h s LYS 74 Cb 0.10 0.35 0.07 0.00 -1.51 0.00 0.00 37.83 36.84 2a4h s LYS 74 CO 0.78 -0.27 0.71 0.00 -0.36 0.00 0.00 175.35 176.21 2a4h s ALA 75 N -3.09 -1.78 -0.09 3.13 0.00 -0.99 -0.07 121.76 118.86 2a4h s ALA 75 Ca -0.01 1.52 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 2a4h s ALA 75 Cb 0.01 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.83 2a4h s ALA 75 CO -0.07 -0.36 0.17 0.42 0.00 0.00 0.00 175.76 175.93 2a4h s ILE 76 N -0.78 -0.22 -0.99 0.00 1.01 0.37 -0.87 121.20 119.72 2a4h s ILE 76 Ca -0.08 0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 2a4h s ILE 76 Cb -0.01 -0.30 0.21 0.00 0.01 0.00 0.00 42.46 42.37 2a4h s ILE 76 CO 0.07 0.13 1.04 -0.22 0.00 0.00 0.00 174.94 175.96 2a4h s LEU 77 N 2.01 6.06 -0.12 2.97 2.96 -1.26 -1.04 118.68 130.26 2a4h s LEU 77 Ca -0.00 -2.90 -0.24 0.00 -0.22 0.00 0.00 54.13 50.76 2a4h s LEU 77 Cb -0.12 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 2a4h s LEU 77 CO -0.06 -0.60 0.77 -1.61 -1.32 0.00 0.00 176.35 173.53 2a4h s GLU 78 N 0.40 4.36 0.05 1.98 2.02 -1.10 -1.88 118.70 124.54 2a4h s GLU 78 Ca 0.28 0.96 -0.09 0.00 0.02 0.00 0.00 54.97 56.14 2a4h s GLU 78 Cb -0.08 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.64 2a4h s GLU 78 CO -0.07 -0.14 0.19 0.14 0.02 0.00 0.00 175.26 175.39 2a4h s VAL 79 N 1.51 0.12 -1.58 2.63 -7.23 -0.83 -2.35 120.40 112.66 2a4h s VAL 79 Ca 0.38 -0.97 0.14 0.00 -1.81 0.00 0.00 61.98 59.72 2a4h s VAL 79 Cb -0.17 -1.03 0.21 0.00 0.56 0.00 0.00 36.38 35.95 2a4h s VAL 79 CO 0.16 -0.54 1.09 0.00 -0.31 0.00 0.00 175.10 175.49 2a4h n THR 81 N 0.81 0.00 0.23 0.00 -2.24 -1.26 -4.81 114.28 107.00 2a4h n THR 81 Ca 0.11 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 2a4h n THR 81 Cb 0.40 -1.18 0.38 0.00 -2.10 0.00 0.00 70.33 67.83 2a4h n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4h n LYS 83 N -3.18 2.67 -0.01 0.00 -0.00 -1.26 -4.37 118.16 112.01 2a4h n LYS 83 Ca 0.02 -1.46 0.23 0.00 -0.00 0.00 0.00 58.31 57.10 2a4h n LYS 83 Cb 0.46 -1.76 0.71 0.00 -0.00 0.00 0.00 35.03 34.45 2a4h n LYS 83 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2a4h h PHE 84 N 1.93 0.00 0.00 5.58 3.57 -1.78 0.36 116.94 126.60 2a4h h PHE 84 Ca 0.00 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.17 2a4h h PHE 84 Cb 1.07 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 2a4h h PHE 84 CO 0.47 0.00 -1.85 -2.13 -2.23 0.00 0.00 178.31 172.57 2a4h n ARG 85 N -3.83 0.57 0.17 1.11 3.00 -1.26 -3.97 116.66 112.45 2a4h n ARG 85 Ca 0.12 0.42 -0.11 0.00 -0.00 0.00 0.00 57.85 58.28 2a4h n ARG 85 Cb 0.80 -1.62 -0.07 0.00 0.00 0.00 0.00 32.46 31.57 2a4h n ARG 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a4h h ALA 86 N -0.75 -0.48 -1.89 5.13 0.00 -1.75 -3.36 119.26 116.15 2a4h h ALA 86 Ca -0.50 -0.18 -0.69 0.00 0.00 0.00 0.00 54.91 53.53 2a4h h ALA 86 Cb 1.43 0.19 -0.35 0.00 0.00 0.00 0.00 17.79 19.05 2a4h h ALA 86 CO -0.31 -0.53 0.11 0.66 0.00 0.00 0.00 179.25 179.19 2a4h n TYR 87 N -5.12 3.29 0.29 0.00 4.01 0.12 -4.83 117.16 114.93 2a4h n TYR 87 Ca -0.09 -3.36 0.17 0.00 -0.16 0.00 0.00 57.90 54.47 2a4h n TYR 87 Cb 0.27 -0.84 0.85 0.00 -0.31 0.00 0.00 39.34 39.30 2a4h n TYR 87 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2a4h h PRO 88 N 3.98 0.00 -0.32 -0.72 0.13 -1.68 -2.87 132.00 130.53 2a4h h PRO 88 Ca 0.28 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.25 2a4h h PRO 88 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 2a4h h PRO 88 CO 1.02 0.05 -0.43 1.96 -0.23 0.00 0.00 178.00 180.37 2a4h h GLN 89 N 0.00 0.86 0.00 0.86 4.20 -1.90 -2.90 115.11 116.22 2a4h h GLN 89 Ca -0.00 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2a4h h GLN 89 Cb 0.30 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2a4h h GLN 89 CO 0.01 1.13 0.00 -0.89 -0.67 0.00 0.00 178.83 178.41 2a4h n ILE 90 N -4.09 0.00 -0.22 2.54 5.41 -1.08 -1.55 119.36 120.37 2a4h n ILE 90 Ca -0.04 0.89 0.31 0.00 1.00 0.00 0.00 62.75 64.92 2a4h n ILE 90 Cb 0.56 -1.63 0.67 0.00 -0.71 0.00 0.00 39.64 38.53 2a4h n ILE 90 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2a4h h GLN 91 N 0.00 0.00 -0.42 0.38 4.15 -1.73 0.71 115.11 118.20 2a4h h GLN 91 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.51 2a4h h GLN 91 Cb 0.00 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.60 2a4h h GLN 91 CO 0.00 0.00 -0.27 0.00 -1.93 0.00 0.00 178.83 176.63 2a4h h ALA 92 N 1.14 -0.04 0.00 3.38 0.00 -1.06 0.80 119.26 123.48 2a4h h ALA 92 Ca 0.48 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.46 2a4h h ALA 92 Cb 2.29 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 20.69 2a4h h ALA 92 CO -0.01 -0.65 -0.29 0.27 0.00 0.00 0.00 179.25 178.58 2a4h h PHE 93 N -0.19 0.00 -0.47 0.00 -5.15 -0.47 0.23 116.94 110.88 2a4h h PHE 93 Ca 0.19 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.85 2a4h h PHE 93 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.66 2a4h h PHE 93 CO -0.51 0.29 -0.16 0.82 -2.00 0.00 0.00 178.31 176.75 2a4h h ILE 94 N 0.00 1.27 0.00 0.88 2.04 -0.14 -2.81 117.51 118.74 2a4h h ILE 94 Ca -0.00 -1.30 -0.10 0.00 1.00 0.00 0.00 64.86 64.46 2a4h h ILE 94 Cb 0.65 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2a4h h ILE 94 CO 0.04 0.45 -0.47 1.56 0.00 0.00 0.00 178.15 179.72 2a4h h GLN 95 N 0.80 0.00 -0.61 2.37 4.20 0.92 -3.30 115.11 119.50 2a4h h GLN 95 Ca 0.12 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.95 2a4h h GLN 95 Cb 0.71 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.39 2a4h h GLN 95 CO 0.05 0.47 0.03 0.66 -0.67 0.00 0.00 178.83 179.38 2a4h h SER 96 N 0.00 -0.21 0.00 1.46 4.64 -0.69 -3.46 113.55 115.29 2a4h h SER 96 Ca -0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2a4h h SER 96 Cb 1.32 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2a4h h SER 96 CO 0.06 -0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 2a4h n GLY 97 N -1.35 1.97 0.24 -0.77 0.00 -1.24 -4.99 105.19 99.05 2a4h n GLY 97 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 2a4h n GLY 97 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a4h h ARG 98 N 0.64 0.67 0.00 1.61 -0.00 -1.87 -1.71 114.38 113.73 2a4h h ARG 98 Ca 0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.43 2a4h h ARG 98 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 29.97 29.82 2a4h h ARG 98 CO 0.00 0.45 -0.05 -1.35 0.00 0.00 0.00 179.97 179.01 2a4h h PRO 99 N 0.69 0.00 -0.43 0.04 0.11 -1.87 -1.70 132.00 128.85 2a4h h PRO 99 Ca 0.24 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 2a4h h PRO 99 Cb 0.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 2a4h h PRO 99 CO -0.11 0.05 0.11 0.00 -0.21 0.00 0.00 178.00 177.85 2a4h h ALA 100 N 1.95 1.40 0.00 -0.75 0.00 -1.63 -0.58 119.26 119.64 2a4h h ALA 100 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2a4h h ALA 100 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2a4h h ALA 100 CO 0.01 0.44 0.00 0.87 0.00 0.00 0.00 179.25 180.56 2a4h h LYS 101 N 0.62 0.00 -4.70 0.00 1.57 -1.32 -3.39 116.57 109.35 2a4h h LYS 101 Ca 0.14 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.22 2a4h h LYS 101 Cb 0.22 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.33 2a4h h LYS 101 CO -0.01 0.00 0.25 -0.06 -0.57 0.00 0.00 179.45 179.07 2a4h s PHE 102 N -3.41 3.08 0.08 -1.35 0.08 -0.23 -4.93 117.98 111.30 2a4h s PHE 102 Ca 0.03 -1.11 -0.26 0.00 0.12 0.00 0.00 56.93 55.70 2a4h s PHE 102 Cb 0.09 -4.05 -0.16 0.00 -0.57 0.00 0.00 43.02 38.32 2a4h s PHE 102 CO 0.41 -1.32 1.69 -1.00 -0.10 0.00 0.00 175.22 174.90 2a4h h PRO 103 N 9.01 -0.30 -1.04 0.24 0.13 -1.81 -2.45 132.00 135.77 2a4h h PRO 103 Ca -0.18 0.02 0.28 0.00 -0.87 0.00 0.00 66.00 65.24 2a4h h PRO 103 Cb 1.07 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 2a4h h PRO 103 CO 1.07 -0.19 0.70 -0.91 -0.23 0.00 0.00 178.00 178.43 2a4h h ASN 104 N -0.32 0.30 -3.41 1.44 4.21 -1.85 -3.37 115.58 112.59 2a4h h ASN 104 Ca -0.03 0.05 -0.58 0.00 1.21 0.00 0.00 56.30 56.95 2a4h h ASN 104 Cb 0.25 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.38 2a4h h ASN 104 CO 0.05 0.07 0.77 -0.22 -1.29 0.00 0.00 177.43 176.80 2a4h s LEU 105 N -9.24 3.92 -0.02 1.61 2.96 -0.92 -2.35 118.68 114.64 2a4h s LEU 105 Ca -0.07 0.84 -0.24 0.00 -0.22 0.00 0.00 54.13 54.44 2a4h s LEU 105 Cb 0.24 -3.44 -0.17 0.00 0.50 0.00 0.00 46.19 43.32 2a4h s LEU 105 CO 0.80 -0.90 1.09 -0.61 -1.32 0.00 0.00 176.35 175.41 2a4h h GLN 106 N 8.32 -0.25 -4.76 1.98 5.75 -1.17 -3.46 115.11 121.52 2a4h h GLN 106 Ca -0.22 0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.25 2a4h h GLN 106 Cb 1.07 0.06 0.04 0.00 1.07 0.00 0.00 27.48 29.72 2a4h h GLN 106 CO 1.02 0.14 -0.19 -0.89 -2.65 0.00 0.00 178.83 176.27 2a4h n ILE 107 N -5.00 -7.54 -3.71 2.39 2.08 -1.26 -4.89 119.36 101.43 2a4h n ILE 107 Ca -0.09 -0.42 -0.26 0.00 0.56 0.00 0.00 62.75 62.54 2a4h n ILE 107 Cb 0.26 -5.90 -0.03 0.00 -0.75 0.00 0.00 39.64 33.22 2a4h n ILE 107 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2a4h s LYS 108 N -3.30 3.50 -0.83 0.38 2.20 -0.79 -4.91 119.74 115.99 2a4h s LYS 108 Ca 0.10 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 2a4h s LYS 108 Cb -0.01 -2.83 0.27 0.00 -1.51 0.00 0.00 37.83 33.75 2a4h s LYS 108 CO 0.55 0.38 1.06 0.66 -0.36 0.00 0.00 175.35 177.64 2a4h n TYR 109 N -0.89 3.06 -0.78 4.03 4.01 -1.26 -1.97 117.16 123.37 2a4h n TYR 109 Ca -0.05 -3.49 -0.28 0.00 -0.16 0.00 0.00 57.90 53.92 2a4h n TYR 109 Cb 0.54 -0.85 0.03 0.00 -0.31 0.00 0.00 39.34 38.75 2a4h n TYR 109 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 2a4h n VAL 110 N 1.04 0.00 -0.11 -0.72 3.14 0.14 -4.78 118.33 117.04 2a4h n VAL 110 Ca 0.28 -0.38 -0.06 0.00 -2.96 0.00 0.00 64.34 61.22 2a4h n VAL 110 Cb 0.38 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.18 2a4h n VAL 110 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2a4h h ARG 111 N -0.71 0.21 0.00 1.45 2.47 -1.97 -3.38 114.38 112.45 2a4h h ARG 111 Ca -0.33 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 2a4h h ARG 111 Cb 1.00 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 2a4h h ARG 111 CO 0.18 0.14 0.00 0.41 0.56 0.00 0.00 179.97 181.27 2a4h n GLY 112 N -1.23 -1.89 0.00 0.04 0.00 -1.26 -4.93 105.19 95.92 2a4h n GLY 112 Ca 0.02 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.95 2a4h n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2a4h n LEU 113 N 0.00 0.00 -4.88 0.99 4.77 -1.26 -5.01 117.00 111.61 2a4h n LEU 113 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 2a4h n LEU 113 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2a4h n LEU 113 CO 0.00 0.00 0.16 1.51 -1.33 0.00 0.00 177.39 177.73 2a4h s ASP 114 N -0.91 6.59 -0.17 -1.43 -4.77 -1.26 -3.87 116.67 110.84 2a4h s ASP 114 Ca 0.00 0.83 -0.29 0.00 -3.30 0.00 0.00 52.55 49.79 2a4h s ASP 114 Cb 0.00 -2.19 -0.05 0.00 -1.09 0.00 0.00 42.92 39.59 2a4h s ASP 114 CO 0.00 -0.03 2.05 -2.84 0.70 0.00 0.00 175.17 175.05 2a4h s PRO 115 N -2.74 3.46 0.07 2.11 0.02 -1.26 -4.69 135.00 131.97 2a4h s PRO 115 Ca 0.45 2.06 0.02 0.00 0.02 0.00 0.00 61.00 63.55 2a4h s PRO 115 Cb -0.12 -4.27 -0.03 0.00 0.02 0.00 0.00 34.50 30.10 2a4h s PRO 115 CO 0.22 -1.73 -0.08 0.08 -0.33 0.00 0.00 177.00 175.16 2a4h s VAL 116 N 6.93 0.69 -0.39 3.83 1.01 -0.99 -0.66 120.40 130.81 2a4h s VAL 116 Ca 0.92 -1.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 2a4h s VAL 116 Cb -0.33 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.01 2a4h s VAL 116 CO 0.36 -0.56 0.22 0.68 0.00 0.00 0.00 175.10 175.80 2a4h s VAL 117 N -2.25 4.24 -0.47 2.92 -7.23 -0.61 -2.70 120.40 114.31 2a4h s VAL 117 Ca -0.00 -1.21 -0.11 0.00 -1.81 0.00 0.00 61.98 58.84 2a4h s VAL 117 Cb -0.04 -3.51 0.10 0.00 0.56 0.00 0.00 36.38 33.49 2a4h s VAL 117 CO -0.01 -0.38 0.35 -0.54 -0.31 0.00 0.00 175.10 174.21 2a4h s LYS 118 N 1.45 2.70 -0.90 4.82 -0.14 -0.21 -2.64 119.74 124.81 2a4h s LYS 118 Ca 0.02 -1.58 -0.16 0.00 -1.36 0.00 0.00 55.97 52.89 2a4h s LYS 118 Cb -0.21 -3.98 0.18 0.00 -1.68 0.00 0.00 37.83 32.13 2a4h s LYS 118 CO 0.03 -1.11 0.98 -0.51 -0.76 0.00 0.00 175.35 173.99 2a4h s LEU 119 N 1.47 5.85 0.00 3.17 1.02 0.07 0.14 118.68 130.41 2a4h s LEU 119 Ca 0.04 -2.42 -0.04 0.00 0.02 0.00 0.00 54.13 51.72 2a4h s LEU 119 Cb -0.25 -2.31 0.10 0.00 0.02 0.00 0.00 46.19 43.74 2a4h s LEU 119 CO 0.02 -0.81 0.60 0.18 0.02 0.00 0.00 176.35 176.37 2a4h n LEU 120 N 5.25 0.00 0.00 1.79 4.32 0.89 0.17 117.00 129.42 2a4h n LEU 120 Ca 0.20 -0.92 0.00 0.00 -0.02 0.00 0.00 56.01 55.27 2a4h n LEU 120 Cb 0.48 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 2a4h n LEU 120 CO 0.43 -0.87 -0.49 -0.67 -1.22 0.00 0.00 177.39 174.56 2a4h n ASP 121 N -3.20 0.03 0.00 -1.43 2.03 -1.26 -1.13 116.55 111.58 2a4h n ASP 121 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2a4h n ASP 121 Cb 0.30 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 2a4h n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a4h n ALA 122 N -2.99 0.00 0.12 -1.67 0.00 -1.26 -3.89 120.51 110.82 2a4h n ALA 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2a4h n ALA 122 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.97 2a4h n ALA 122 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2a4h h SER 123 N 0.00 0.00 0.00 0.00 0.02 -2.03 -3.47 113.55 108.07 2a4h h SER 123 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a4h h SER 123 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2a4h h SER 123 CO 0.00 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 2a4h n GLY 124 N 1.13 1.74 0.13 -3.77 0.00 -1.26 -5.03 105.19 98.12 2a4h n GLY 124 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2a4h n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2a4h h LYS 125 N 0.16 0.34 -3.76 1.61 1.63 -1.95 -3.49 116.57 111.11 2a4h h LYS 125 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2a4h h LYS 125 Cb 0.00 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 2a4h h LYS 125 CO 0.00 0.28 -0.11 0.28 -3.45 0.00 0.00 179.45 176.45 2a4h n VAL 126 N -4.87 -4.70 -0.28 2.00 0.31 -1.26 -4.91 118.33 104.61 2a4h n VAL 126 Ca -0.03 0.18 0.03 0.00 -0.01 0.00 0.00 64.34 64.51 2a4h n VAL 126 Cb 0.06 -4.95 0.10 0.00 -0.91 0.00 0.00 33.84 28.14 2a4h n VAL 126 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2a4h h GLN 127 N 0.50 0.01 -3.96 5.55 7.50 0.14 -3.41 115.11 121.43 2a4h h GLN 127 Ca 0.00 -0.00 -0.27 0.00 0.50 0.00 0.00 58.65 58.88 2a4h h GLN 127 Cb 0.54 -0.00 -0.28 0.00 0.05 0.00 0.00 27.48 27.78 2a4h h GLN 127 CO 0.08 0.00 -0.73 -1.21 -1.50 0.00 0.00 178.83 175.47 2a4h s GLU 128 N -6.23 0.18 -0.38 1.46 2.02 -1.15 -4.96 118.70 109.62 2a4h s GLU 128 Ca -0.14 -0.07 0.01 0.00 0.02 0.00 0.00 54.97 54.78 2a4h s GLU 128 Cb 0.23 -0.17 0.13 0.00 0.10 0.00 0.00 34.13 34.41 2a4h s GLU 128 CO 0.76 0.04 0.20 0.99 0.02 0.00 0.00 175.26 177.27 2a4h s THR 129 N -0.03 0.79 -0.16 3.63 2.01 -1.22 -0.75 115.64 119.91 2a4h s THR 129 Ca 0.01 -2.00 -0.02 0.00 0.31 0.00 0.00 61.69 59.99 2a4h s THR 129 Cb -0.01 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 2a4h s THR 129 CO -0.00 -0.89 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.19 2a4h s LEU 130 N 0.88 2.91 -0.34 4.42 1.43 -1.08 -4.89 118.68 122.00 2a4h s LEU 130 Ca 0.16 -0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 52.70 2a4h s LEU 130 Cb -0.23 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2a4h s LEU 130 CO -0.04 0.13 1.72 -0.55 0.23 0.00 0.00 176.35 177.84 2a4h s SER 131 N 0.58 5.99 -0.52 2.29 0.15 -1.26 -1.57 113.70 119.36 2a4h s SER 131 Ca -0.05 1.21 -0.01 0.00 0.70 0.00 0.00 55.95 57.80 2a4h s SER 131 Cb -0.15 -2.53 0.41 0.00 -1.71 0.00 0.00 66.02 62.05 2a4h s SER 131 CO 0.03 -1.65 1.97 2.30 1.20 0.00 0.00 173.24 177.09 2a4h n ILE 132 N 7.35 3.24 0.08 6.45 -5.35 0.17 -4.67 119.36 126.63 2a4h n ILE 132 Ca 0.22 -2.31 -0.15 0.00 -0.27 0.00 0.00 62.75 60.24 2a4h n ILE 132 Cb 0.47 -1.07 -0.08 0.00 -1.74 0.00 0.00 39.64 37.22 2a4h n ILE 132 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2a4h h THR 133 N 0.96 0.09 0.00 7.28 1.35 -1.90 -3.43 112.91 117.27 2a4h h THR 133 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.37 2a4h h THR 133 Cb 1.23 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2a4h h THR 133 CO 1.24 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.80 2a4h n LYS 134 N -5.47 0.00 0.00 4.72 5.02 -1.26 -4.70 118.16 116.47 2a4h n LYS 134 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2a4h n LYS 134 Cb 0.39 -0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 2a4h n LYS 134 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2a4h n TRP 135 N -2.89 0.00 0.00 2.13 7.02 -1.26 -3.48 117.44 118.96 2a4h n TRP 135 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2a4h n TRP 135 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2a4h n TRP 135 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2a4h n ASN 136 N 0.63 0.00 -0.09 -0.99 0.23 -1.26 -5.16 115.26 108.62 2a4h n ASN 136 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2a4h n ASN 136 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2a4h n ASN 136 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2a4h n THR 137 N -0.16 0.00 0.00 5.53 5.66 -1.23 -4.62 114.28 119.47 2a4h n THR 137 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2a4h n THR 137 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2a4h n THR 137 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2a4h n ASP 138 N -3.43 0.00 -0.34 1.09 2.03 -1.26 -3.17 116.55 111.46 2a4h n ASP 138 Ca 0.00 0.00 0.22 0.00 0.52 0.00 0.00 54.79 55.53 2a4h n ASP 138 Cb 0.00 0.00 0.45 0.00 -0.72 0.00 0.00 41.12 40.85 2a4h n ASP 138 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a4h h THR 139 N 0.00 0.38 -0.73 5.18 1.03 -2.00 0.55 112.91 117.32 2a4h h THR 139 Ca 0.00 -0.14 0.16 0.00 -0.01 0.00 0.00 66.41 66.42 2a4h h THR 139 Cb 0.00 -0.06 -0.11 0.00 -1.07 0.00 0.00 68.15 66.90 2a4h h THR 139 CO 0.00 0.07 0.14 1.62 -0.01 0.00 0.00 175.52 177.34 2a4h h VAL 140 N 0.41 0.48 -0.98 0.00 3.04 -1.90 0.83 116.25 118.13 2a4h h VAL 140 Ca 0.70 -0.08 0.16 0.00 -1.01 0.00 0.00 66.70 66.47 2a4h h VAL 140 Cb 1.54 0.23 -0.09 0.00 -2.01 0.00 0.00 31.29 30.97 2a4h h VAL 140 CO -0.55 0.04 0.61 -0.08 -1.01 0.00 0.00 177.57 176.59 2a4h h GLU 141 N 0.22 0.78 0.00 4.17 4.81 -0.20 0.47 114.58 124.84 2a4h h GLU 141 Ca 0.41 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.45 2a4h h GLU 141 Cb 0.71 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2a4h h GLU 141 CO -0.54 0.52 -0.68 1.49 -0.73 0.00 0.00 179.01 179.07 2a4h h GLU 142 N 0.81 0.00 -0.58 1.92 4.81 0.42 -3.11 114.58 118.85 2a4h h GLU 142 Ca 0.52 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.86 2a4h h GLU 142 Cb 0.74 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.01 2a4h h GLU 142 CO -0.29 0.68 -0.17 0.35 -0.73 0.00 0.00 179.01 178.85 2a4h h PHE 143 N 0.00 -0.38 0.16 0.92 3.57 0.50 0.09 116.94 121.81 2a4h h PHE 143 Ca -0.01 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2a4h h PHE 143 Cb 1.30 0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.30 2a4h h PHE 143 CO 0.00 -0.27 -0.08 0.74 -2.23 0.00 0.00 178.31 176.47 2a4h h PHE 144 N -0.03 -0.20 -0.84 0.41 0.04 -1.56 0.83 116.94 115.59 2a4h h PHE 144 Ca 0.27 -0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.28 2a4h h PHE 144 Cb 0.45 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 2a4h h PHE 144 CO -0.50 0.18 0.75 1.05 -0.60 0.00 0.00 178.31 179.19 2a4h h GLU 145 N -0.94 0.00 0.00 1.51 -0.00 -1.45 1.42 114.58 115.12 2a4h h GLU 145 Ca -0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 59.36 58.97 2a4h h GLU 145 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.16 2a4h h GLU 145 CO 0.04 0.00 -2.35 0.25 -0.00 0.00 0.00 179.01 176.95 2a4h n THR 146 N -3.83 1.41 0.59 -1.06 -2.24 0.00 -4.35 114.28 104.80 2a4h n THR 146 Ca 0.18 -0.84 0.12 0.00 -2.27 0.00 0.00 64.05 61.24 2a4h n THR 146 Cb 1.04 -0.55 0.18 0.00 -2.10 0.00 0.00 70.33 68.90 2a4h n THR 146 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2a4h n HIS 147 N -2.80 0.53 -3.02 4.78 8.25 0.28 -4.84 115.22 118.40 2a4h n HIS 147 Ca -0.33 0.15 -0.17 0.00 -0.26 0.00 0.00 57.72 57.11 2a4h n HIS 147 Cb 1.14 -0.64 0.01 0.00 1.12 0.00 0.00 29.99 31.63 2a4h n HIS 147 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2a4h s LEU 148 N -4.16 3.62 0.49 2.41 1.43 0.46 0.17 118.68 123.11 2a4h s LEU 148 Ca 0.07 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2a4h s LEU 148 Cb 0.14 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 2a4h s LEU 148 CO 0.72 -0.80 0.06 0.00 0.23 0.00 0.00 176.35 176.57 2a4h s ALA 149 N -2.37 3.98 0.00 4.21 0.00 -1.26 -4.79 121.76 121.53 2a4h s ALA 149 Ca 0.55 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 2a4h s ALA 149 Cb -0.10 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 2a4h s ALA 149 CO 0.33 -0.10 0.86 0.87 0.00 0.00 0.00 175.76 177.73 2a4h h LYS 150 N 1.34 -0.46 -5.52 0.00 1.79 -1.97 -3.42 116.57 108.34 2a4h h LYS 150 Ca -0.43 0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.01 2a4h h LYS 150 Cb 1.30 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 2a4h h LYS 150 CO 0.73 -0.31 -0.35 -3.47 -1.08 0.00 0.00 179.45 174.97 2a4h n ASP 151 N -3.78 -7.49 -4.72 0.86 2.03 -1.26 -4.73 116.55 97.46 2a4h n ASP 151 Ca -0.06 0.08 -0.43 0.00 0.52 0.00 0.00 54.79 54.90 2a4h n ASP 151 Cb 0.19 -4.84 -0.02 0.00 -0.72 0.00 0.00 41.12 35.73 2a4h n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a4h n GLY 152 N -1.12 1.07 3.81 0.27 0.00 -1.26 -4.96 105.19 102.99 2a4h n GLY 152 Ca 0.01 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2a4h n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4h s ALA 153 N -0.17 -2.10 -0.79 4.61 0.00 -1.26 -5.06 121.76 116.98 2a4h s ALA 153 Ca 0.64 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 2a4h s ALA 153 Cb -0.56 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 2a4h s ALA 153 CO 0.51 -1.09 0.67 0.41 0.00 0.00 0.00 175.76 176.26 2a4h n GLY 154 N -0.67 -1.26 3.76 0.00 0.00 -1.26 -5.02 105.19 100.74 2a4h n GLY 154 Ca -0.03 0.52 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 2a4h n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a4h s LYS 155 N -3.86 2.17 1.00 1.61 1.02 -1.26 -5.13 119.74 115.29 2a4h s LYS 155 Ca 0.03 -2.32 -0.11 0.00 0.02 0.00 0.00 55.97 53.59 2a4h s LYS 155 Cb -0.01 -1.61 0.19 0.00 -0.52 0.00 0.00 37.83 35.89 2a4h s LYS 155 CO 0.81 -0.33 1.10 1.21 -0.92 0.00 0.00 175.35 177.21 2a4h s ASN 156 N -3.89 2.28 0.32 2.83 3.84 -1.26 -4.77 114.94 114.30 2a4h s ASN 156 Ca 0.13 1.92 0.00 0.00 0.21 0.00 0.00 52.86 55.12 2a4h s ASN 156 Cb 0.02 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.26 2a4h s ASN 156 CO 0.07 -3.46 0.00 -0.24 -2.79 0.00 0.00 177.10 170.68 2a4h n SER 157 N -4.45 -4.15 0.00 -4.21 2.88 -1.26 -4.80 113.62 97.63 2a4h n SER 157 Ca 0.08 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2a4h n SER 157 Cb 0.53 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2a4h n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a4h n TYR 158 N -2.12 0.00 0.00 0.66 4.19 -1.26 -4.84 117.16 113.79 2a4h n TYR 158 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2a4h n TYR 158 Cb 0.22 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.05 2a4h n TYR 158 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 2a4h n SER 159 N 1.51 0.00 -3.64 2.98 7.64 -1.26 -4.48 113.62 116.36 2a4h n SER 159 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 2a4h n SER 159 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2a4h n SER 159 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2a4h s VAL 160 N 0.00 0.20 -0.01 0.44 -7.23 -1.26 -5.17 120.40 107.37 2a4h s VAL 160 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2a4h s VAL 160 Cb 0.00 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.51 2a4h s VAL 160 CO 0.00 0.00 0.04 -0.69 -0.31 0.00 0.00 175.10 174.14 2a4h s VAL 161 N -3.36 0.03 0.55 1.32 1.01 -1.26 -5.16 120.40 113.52 2a4h s VAL 161 Ca 0.34 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 2a4h s VAL 161 Cb 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 2a4h s VAL 161 CO 0.23 -0.13 0.90 -1.61 0.00 0.00 0.00 175.10 174.48 2a4h s GLU 162 N -0.40 3.57 -1.04 2.72 8.01 -1.26 -4.98 118.70 125.32 2a4h s GLU 162 Ca -0.05 0.45 -0.23 0.00 0.01 0.00 0.00 54.97 55.16 2a4h s GLU 162 Cb -0.03 -2.24 0.04 0.00 -4.31 0.00 0.00 34.13 27.59 2a4h s GLU 162 CO -0.00 -0.38 1.53 0.34 0.01 0.00 0.00 175.26 176.76 2a4h s ASP 163 N -4.14 6.41 0.67 -0.19 2.15 -1.26 -4.97 116.67 115.33 2a4h s ASP 163 Ca 0.51 -1.50 -0.02 0.00 0.43 0.00 0.00 52.55 51.97 2a4h s ASP 163 Cb -0.11 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 40.01 2a4h s ASP 163 CO 0.49 -1.60 0.45 0.00 -0.17 0.00 0.00 175.17 174.35 2a4h n ALA 164 N 9.33 -0.13 -1.47 3.66 0.00 -1.26 -4.98 120.51 125.66 2a4h n ALA 164 Ca 0.35 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2a4h n ALA 164 Cb 0.50 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2a4h n ALA 164 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a4h n ASP 165 N -3.08 -8.01 0.00 0.00 -0.08 -1.26 -5.09 116.55 99.02 2a4h n ASP 165 Ca 0.07 1.21 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 2a4h n ASP 165 Cb 0.24 -4.39 0.00 0.00 2.34 0.00 0.00 41.12 39.31 2a4h n ASP 165 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a4h n GLY 166 N -1.06 3.82 2.74 0.27 0.00 -1.26 -5.12 105.19 104.58 2a4h n GLY 166 Ca 0.00 -1.43 -0.19 0.00 0.00 0.00 0.00 46.02 44.40 2a4h n GLY 166 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a4h s ASP 167 N 0.00 1.05 -0.23 1.61 -1.08 -1.26 -5.12 116.67 111.65 2a4h s ASP 167 Ca 0.00 0.14 -0.03 0.00 -0.52 0.00 0.00 52.55 52.14 2a4h s ASP 167 Cb 0.00 0.04 0.07 0.00 -1.46 0.00 0.00 42.92 41.58 2a4h s ASP 167 CO 0.00 -0.26 0.07 -0.62 0.52 0.00 0.00 175.17 174.89 2a4h s ASP 168 N 2.22 3.11 -0.27 -0.34 2.15 -1.26 -5.10 116.67 117.18 2a4h s ASP 168 Ca 0.04 -1.01 -0.12 0.00 0.43 0.00 0.00 52.55 51.90 2a4h s ASP 168 Cb -0.12 -0.53 0.10 0.00 -0.30 0.00 0.00 42.92 42.07 2a4h s ASP 168 CO -0.05 -0.36 0.62 -1.81 -0.17 0.00 0.00 175.17 173.40 2a4h s ASP 169 N 1.91 -0.93 -1.12 -0.34 1.01 -1.26 -5.07 116.67 110.87 2a4h s ASP 169 Ca 0.03 1.44 -0.25 0.00 0.71 0.00 0.00 52.55 54.48 2a4h s ASP 169 Cb -0.17 1.78 -0.18 0.00 1.01 0.00 0.00 42.92 45.36 2a4h s ASP 169 CO -0.16 -0.23 2.04 -0.62 0.21 0.00 0.00 175.17 176.41 2a4h n GLU 170 N 4.99 0.71 0.19 8.23 1.02 -1.26 -4.62 120.64 129.90 2a4h n GLU 170 Ca -0.15 -2.01 0.10 0.00 -0.02 0.00 0.00 57.16 55.07 2a4h n GLU 170 Cb 0.53 -3.85 0.12 0.00 -0.02 0.00 0.00 31.44 28.22 2a4h n GLU 170 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2a4h h ASP 171 N 10.84 0.00 -1.23 1.62 2.03 -2.03 -3.46 116.42 124.18 2a4h h ASP 171 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 2a4h h ASP 171 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 2a4h h ASP 171 CO 1.11 0.11 0.00 0.00 -1.03 0.00 0.00 179.24 179.43 2a4h n TYR 172 N -3.08 0.00 -3.73 4.15 9.36 -1.26 -5.09 117.16 117.51 2a4h n TYR 172 Ca 0.03 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.88 2a4h n TYR 172 Cb 0.58 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.19 2a4h n TYR 172 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2a4h s LEU 173 N 0.00 5.26 1.05 2.98 1.43 -1.26 -5.09 118.68 123.05 2a4h s LEU 173 Ca 0.00 -2.52 -0.16 0.00 -1.03 0.00 0.00 54.13 50.43 2a4h s LEU 173 Cb 0.00 -1.85 0.09 0.00 0.03 0.00 0.00 46.19 44.46 2a4h s LEU 173 CO 0.00 -0.45 0.28 0.54 0.23 0.00 0.00 176.35 176.96 2a4h n ARG 174 N 3.94 -1.11 0.03 1.70 5.12 -1.26 -4.96 116.66 120.12 2a4h n ARG 174 Ca 0.04 -0.29 -0.01 0.00 -1.93 0.00 0.00 57.85 55.65 2a4h n ARG 174 Cb 0.39 -1.82 -0.01 0.00 -1.16 0.00 0.00 32.46 29.86 2a4h n ARG 174 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2a4h h THR 175 N -1.91 0.00 -4.05 0.55 2.02 -2.07 -3.46 112.91 103.99 2a4h h THR 175 Ca -0.50 -0.02 -0.45 0.00 0.77 0.00 0.00 66.41 66.21 2a4h h THR 175 Cb 1.32 0.00 -0.30 0.00 -1.74 0.00 0.00 68.15 67.44 2a4h h THR 175 CO 0.38 0.00 -0.80 0.21 0.37 0.00 0.00 175.52 175.68 2a4h s ASN 176 N -2.44 1.44 -0.00 4.18 2.47 -1.26 -5.15 114.94 114.18 2a4h s ASN 176 Ca -0.01 -0.22 0.05 0.00 0.42 0.00 0.00 52.86 53.09 2a4h s ASN 176 Cb 0.00 -0.23 -0.03 0.00 -1.45 0.00 0.00 41.25 39.54 2a4h s ASN 176 CO 0.03 0.13 -0.13 -0.13 -3.72 0.00 0.00 177.10 173.29 2a4h s ARG 177 N -0.15 2.38 0.00 0.43 0.52 -1.26 -5.27 118.95 115.60 2a4h s ARG 177 Ca 0.02 -0.80 0.12 0.00 -0.52 0.00 0.00 55.73 54.55 2a4h s ARG 177 Cb -0.06 -2.36 0.09 0.00 0.52 0.00 0.00 34.95 33.14 2a4h s ARG 177 CO -0.00 0.59 0.87 -0.89 0.02 0.00 0.00 175.30 175.88