#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 0.76 -0.16 -5.12 0.00 -1.26 -5.02 121.76 110.96 2a4h s ALA 54 Ca 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.62 2a4h s ALA 54 Cb 0.00 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.35 2a4h s ALA 54 CO 0.00 -0.29 0.12 0.45 0.00 0.00 0.00 175.76 176.04 2a4h n SER 55 N 0.05 -4.23 0.23 0.00 2.88 -1.26 -5.00 113.62 106.30 2a4h n SER 55 Ca -0.13 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 2a4h n SER 55 Cb 0.61 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.86 2a4h n SER 55 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2a4h n HIS 56 N 1.59 -4.58 -1.48 0.66 -0.00 -1.26 -5.17 115.22 104.98 2a4h n HIS 56 Ca -0.20 1.54 0.12 0.00 0.46 0.00 0.00 57.72 59.64 2a4h n HIS 56 Cb 0.36 3.78 -0.07 0.00 -0.12 0.00 0.00 29.99 33.95 2a4h n HIS 56 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2a4h n HIS 57 N -3.45 -3.92 -3.79 1.57 -0.00 -1.26 -4.81 115.22 99.56 2a4h n HIS 57 Ca 0.00 2.16 -0.37 0.00 -0.00 0.00 0.00 57.72 59.51 2a4h n HIS 57 Cb 0.00 -3.48 -0.12 0.00 -0.00 0.00 0.00 29.99 26.39 2a4h n HIS 57 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2a4h s HIS 58 N -4.68 3.43 -0.20 4.41 3.76 -1.26 -4.86 115.29 115.89 2a4h s HIS 58 Ca 0.00 -2.03 -0.05 0.00 -0.15 0.00 0.00 55.06 52.83 2a4h s HIS 58 Cb 0.00 -2.77 0.02 0.00 1.11 0.00 0.00 32.58 30.93 2a4h s HIS 58 CO 0.00 -0.88 0.09 0.72 -0.85 0.00 0.00 174.74 173.82 2a4h n HIS 59 N 4.67 -3.39 -1.48 1.40 -0.00 -1.26 -4.98 115.22 110.17 2a4h n HIS 59 Ca -0.07 1.74 0.07 0.00 -0.00 0.00 0.00 57.72 59.45 2a4h n HIS 59 Cb 0.42 -3.49 0.14 0.00 -0.00 0.00 0.00 29.99 27.07 2a4h n HIS 59 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2a4h n HIS 60 N 0.93 0.00 -1.39 4.41 -0.00 -1.26 -4.90 115.22 113.01 2a4h n HIS 60 Ca -0.16 -1.03 -0.39 0.00 -0.00 0.00 0.00 57.72 56.14 2a4h n HIS 60 Cb 0.25 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.99 30.04 2a4h n HIS 60 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2a4h n HIS 61 N -1.01 2.65 0.00 -1.40 -0.00 -1.26 -4.50 115.22 109.70 2a4h n HIS 61 Ca 0.15 -3.02 0.00 0.00 -0.00 0.00 0.00 57.72 54.85 2a4h n HIS 61 Cb 0.71 -2.48 0.00 0.00 -0.00 0.00 0.00 29.99 28.22 2a4h n HIS 61 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2a4h n LEU 62 N 4.26 0.07 0.00 2.41 4.77 -1.26 -5.06 117.00 122.18 2a4h n LEU 62 Ca 0.71 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 2a4h n LEU 62 Cb 0.27 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2a4h n LEU 62 CO 0.87 -0.43 0.00 -0.67 -1.33 0.00 0.00 177.39 175.83 2a4h n ASP 63 N -2.26 0.00 -3.33 -1.43 -0.08 -1.26 -5.06 116.55 103.13 2a4h n ASP 63 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 2a4h n ASP 63 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 2a4h n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a4h n GLN 64 N 0.00 -1.43 -2.93 -0.67 6.02 -1.26 -4.94 117.38 112.16 2a4h n GLN 64 Ca 0.00 1.15 -0.40 0.00 -0.01 0.00 0.00 57.00 57.74 2a4h n GLN 64 Cb 0.00 -4.67 -0.05 0.00 1.02 0.00 0.00 30.24 26.54 2a4h n GLN 64 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2a4h s GLN 65 N -3.92 4.54 0.16 -1.09 0.74 -1.26 -5.03 119.66 113.80 2a4h s GLN 65 Ca 0.08 1.15 -0.30 0.00 0.05 0.00 0.00 55.36 56.34 2a4h s GLN 65 Cb -0.02 -3.35 -0.07 0.00 1.10 0.00 0.00 33.01 30.66 2a4h s GLN 65 CO 0.80 0.31 1.15 -1.25 -0.55 0.00 0.00 175.29 175.74 2a4h s PRO 66 N -0.18 4.53 -0.19 1.67 0.04 -1.26 -4.97 135.00 134.63 2a4h s PRO 66 Ca 0.40 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 2a4h s PRO 66 Cb -0.21 -3.27 -0.12 0.00 0.04 0.00 0.00 34.50 30.93 2a4h s PRO 66 CO 0.25 -0.03 -0.03 0.00 0.04 0.00 0.00 177.00 177.23 2a4h n ALA 67 N 2.63 0.73 -2.52 8.56 0.00 -1.26 -5.05 120.51 123.61 2a4h n ALA 67 Ca 0.04 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 52.79 2a4h n ALA 67 Cb 0.46 -0.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.58 2a4h n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a4h s ALA 68 N -2.54 0.86 0.42 0.00 0.00 -1.26 -5.03 121.76 114.21 2a4h s ALA 68 Ca -0.25 -1.52 0.24 0.00 0.00 0.00 0.00 51.96 50.42 2a4h s ALA 68 Cb 0.06 1.30 1.24 0.00 0.00 0.00 0.00 23.12 25.72 2a4h s ALA 68 CO 0.44 -0.68 1.73 -0.56 0.00 0.00 0.00 175.76 176.69 2a4h h GLN 69 N 2.43 0.25 -6.78 0.00 -0.00 -1.98 -3.44 115.11 105.59 2a4h h GLN 69 Ca -0.32 -0.02 -0.56 0.00 -0.00 0.00 0.00 58.65 57.76 2a4h h GLN 69 Cb 1.25 -0.06 -0.13 0.00 -0.00 0.00 0.00 27.48 28.54 2a4h h GLN 69 CO 0.45 0.17 -0.93 2.89 -0.00 0.00 0.00 178.83 181.42 2a4h n ARG 70 N -4.61 -2.15 -0.67 0.06 1.85 -1.26 -4.88 116.66 105.00 2a4h n ARG 70 Ca 0.29 0.25 -0.31 0.00 -1.00 0.00 0.00 57.85 57.08 2a4h n ARG 70 Cb 1.09 -4.06 0.17 0.00 -1.05 0.00 0.00 32.46 28.61 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 -4.49 0.00 -3.47 8.89 -2.24 -1.26 -5.02 114.28 106.69 2a4h n THR 71 Ca -0.32 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.02 2a4h n THR 71 Cb 0.69 -0.79 0.01 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 -2.42 2.04 -0.11 4.78 1.51 0.15 -5.00 117.35 118.29 2a4h s TYR 72 Ca 0.62 -0.65 0.16 0.00 -1.01 0.00 0.00 57.07 56.19 2a4h s TYR 72 Cb -0.21 -2.12 -0.21 0.00 -0.11 0.00 0.00 41.96 39.31 2a4h s TYR 72 CO 0.64 -0.53 0.55 0.00 -1.11 0.00 0.00 175.55 175.10 2a4h n ALA 73 N -1.83 1.77 -3.61 3.71 0.00 -1.26 -4.51 120.51 114.78 2a4h n ALA 73 Ca 0.06 -0.81 -0.05 0.00 0.00 0.00 0.00 53.44 52.63 2a4h n ALA 73 Cb 0.62 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 2a4h n ALA 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2a4h s LYS 74 N -2.77 0.86 0.10 0.00 2.20 -0.82 -4.90 119.74 114.41 2a4h s LYS 74 Ca -0.06 -0.40 -0.26 0.00 -0.36 0.00 0.00 55.97 54.89 2a4h s LYS 74 Cb 0.08 0.34 0.08 0.00 -1.51 0.00 0.00 37.83 36.82 2a4h s LYS 74 CO 0.83 -0.39 0.90 0.00 -0.36 0.00 0.00 175.35 176.33 2a4h s ALA 75 N -3.04 -1.70 -0.15 3.13 0.00 -1.02 0.11 121.76 119.10 2a4h s ALA 75 Ca 0.09 0.48 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 2a4h s ALA 75 Cb -0.01 0.58 0.05 0.00 0.00 0.00 0.00 23.12 23.74 2a4h s ALA 75 CO -0.04 -0.88 0.37 0.42 0.00 0.00 0.00 175.76 175.62 2a4h s ILE 76 N -3.27 -0.01 -0.98 0.00 1.01 0.47 -2.01 121.20 116.40 2a4h s ILE 76 Ca 0.09 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.66 2a4h s ILE 76 Cb -0.01 -0.53 0.23 0.00 0.01 0.00 0.00 42.46 42.15 2a4h s ILE 76 CO -0.03 0.02 1.00 -0.22 0.00 0.00 0.00 174.94 175.71 2a4h s LEU 77 N 0.79 6.29 -0.40 2.97 2.96 -1.26 -0.76 118.68 129.27 2a4h s LEU 77 Ca -0.05 -3.01 -0.29 0.00 -0.22 0.00 0.00 54.13 50.57 2a4h s LEU 77 Cb -0.06 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.41 2a4h s LEU 77 CO -0.06 -0.53 1.14 -1.61 -1.32 0.00 0.00 176.35 173.98 2a4h s GLU 78 N -0.02 3.86 0.28 1.98 2.02 -1.05 -1.85 118.70 123.93 2a4h s GLU 78 Ca 0.27 0.83 0.03 0.00 0.02 0.00 0.00 54.97 56.12 2a4h s GLU 78 Cb -0.09 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.26 2a4h s GLU 78 CO -0.08 -1.19 0.23 0.14 0.02 0.00 0.00 175.26 174.39 2a4h s VAL 79 N 4.19 0.00 0.00 2.63 -7.23 -0.61 -2.20 120.40 117.18 2a4h s VAL 79 Ca 0.48 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2a4h s VAL 79 Cb -0.10 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2a4h s VAL 79 CO 0.25 0.00 0.42 0.00 -0.31 0.00 0.00 175.10 175.46 2a4h n THR 81 N -0.09 0.00 0.17 0.00 -2.24 -1.26 -4.82 114.28 106.04 2a4h n THR 81 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2a4h n THR 81 Cb 0.25 -1.33 0.28 0.00 -2.10 0.00 0.00 70.33 67.44 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 -3.56 2.18 -0.28 0.00 0.00 -1.26 -4.38 118.16 110.85 2a4h n LYS 83 Ca -0.00 -1.03 0.34 0.00 -0.00 0.00 0.00 58.31 57.61 2a4h n LYS 83 Cb 0.55 -1.65 0.68 0.00 -0.00 0.00 0.00 35.03 34.61 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 1.37 0.00 0.01 5.58 3.04 -1.79 0.29 116.94 125.45 2a4h h PHE 84 Ca 0.00 0.00 -0.40 0.00 3.98 0.00 0.00 57.97 61.55 2a4h h PHE 84 Cb 0.87 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.32 2a4h h PHE 84 CO 0.33 0.00 -2.24 -2.13 -2.02 0.00 0.00 178.31 172.25 2a4h n ARG 85 N -3.79 0.61 0.15 1.11 0.63 -1.26 -3.98 116.66 110.13 2a4h n ARG 85 Ca 0.25 0.30 -0.06 0.00 -0.92 0.00 0.00 57.85 57.41 2a4h n ARG 85 Cb 1.33 -1.57 -0.03 0.00 0.45 0.00 0.00 32.46 32.65 2a4h n ARG 85 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2a4h h ALA 86 N -0.60 -0.83 -1.89 5.13 0.00 -1.43 -3.37 119.26 116.27 2a4h h ALA 86 Ca -0.59 -0.09 -0.69 0.00 0.00 0.00 0.00 54.91 53.54 2a4h h ALA 86 Cb 1.65 0.16 -0.35 0.00 0.00 0.00 0.00 17.79 19.24 2a4h h ALA 86 CO -0.27 -0.80 0.11 0.66 0.00 0.00 0.00 179.25 178.95 2a4h n TYR 87 N -3.40 3.32 0.28 0.00 4.01 0.87 -4.83 117.16 117.41 2a4h n TYR 87 Ca -0.05 -3.36 0.15 0.00 -0.16 0.00 0.00 57.90 54.48 2a4h n TYR 87 Cb 0.16 -0.84 0.75 0.00 -0.31 0.00 0.00 39.34 39.10 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 3.92 0.00 -0.05 -0.72 0.13 -1.67 -2.52 132.00 131.09 2a4h h PRO 88 Ca 0.28 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.18 2a4h h PRO 88 Cb 0.49 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.63 2a4h h PRO 88 CO 1.01 0.00 -0.89 1.96 -0.23 0.00 0.00 178.00 179.85 2a4h h GLN 89 N 0.00 0.70 0.00 0.86 4.20 -1.90 -2.94 115.11 116.03 2a4h h GLN 89 Ca 0.00 -0.68 0.00 0.00 0.06 0.00 0.00 58.65 58.03 2a4h h GLN 89 Cb 0.17 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2a4h h GLN 89 CO 0.00 1.27 0.00 -0.89 -0.67 0.00 0.00 178.83 178.54 2a4h n ILE 90 N -3.94 0.00 -0.28 2.54 5.41 -0.95 -1.59 119.36 120.56 2a4h n ILE 90 Ca -0.10 0.97 0.34 0.00 1.00 0.00 0.00 62.75 64.96 2a4h n ILE 90 Cb 0.81 -1.74 0.69 0.00 -0.71 0.00 0.00 39.64 38.69 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 -0.06 0.38 4.15 -1.74 0.61 115.11 118.44 2a4h h GLN 91 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 2a4h h GLN 91 Cb 0.00 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 2a4h h GLN 91 CO 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 178.83 176.54 2a4h h ALA 92 N 1.16 -0.50 0.00 3.38 0.00 -1.10 0.19 119.26 122.39 2a4h h ALA 92 Ca 0.53 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 2a4h h ALA 92 Cb 2.42 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 20.86 2a4h h ALA 92 CO -0.01 -0.86 -0.18 0.27 0.00 0.00 0.00 179.25 178.47 2a4h h PHE 93 N -0.48 0.00 -0.55 0.00 -5.15 -0.29 0.12 116.94 110.59 2a4h h PHE 93 Ca 0.07 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.78 2a4h h PHE 93 Cb 0.59 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.74 2a4h h PHE 93 CO -0.41 0.18 0.12 0.82 -2.00 0.00 0.00 178.31 177.02 2a4h h ILE 94 N 0.00 1.25 0.00 0.88 2.04 -0.82 -2.79 117.51 118.07 2a4h h ILE 94 Ca -0.00 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2a4h h ILE 94 Cb 0.34 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2a4h h ILE 94 CO 0.02 0.33 -0.28 1.56 0.00 0.00 0.00 178.15 179.78 2a4h h GLN 95 N 0.79 0.00 -1.19 2.37 4.20 -0.12 -3.33 115.11 117.83 2a4h h GLN 95 Ca 0.17 0.00 0.37 0.00 0.06 0.00 0.00 58.65 59.25 2a4h h GLN 95 Cb 0.37 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.03 2a4h h GLN 95 CO 0.01 0.00 0.76 1.03 -0.67 0.00 0.00 178.83 179.96 2a4h h SER 96 N 0.00 0.33 0.00 1.46 0.87 -0.49 -3.45 113.55 112.27 2a4h h SER 96 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2a4h h SER 96 Cb 0.99 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2a4h h SER 96 CO 0.00 -0.09 0.00 0.61 -0.53 0.00 0.00 176.83 176.82 2a4h n GLY 97 N -1.49 2.24 0.20 5.77 0.00 -1.25 -4.97 105.19 105.70 2a4h n GLY 97 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 1.80 0.64 -0.00 1.61 -0.00 -1.86 -2.57 114.38 114.00 2a4h h ARG 98 Ca 0.00 -0.12 0.00 0.00 -0.50 0.00 0.00 59.98 59.36 2a4h h ARG 98 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 29.97 29.87 2a4h h ARG 98 CO 0.00 0.61 0.00 -1.35 0.00 0.00 0.00 179.97 179.23 2a4h h PRO 99 N 0.53 0.00 -0.37 0.04 0.11 -1.83 -0.49 132.00 129.99 2a4h h PRO 99 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 2a4h h PRO 99 Cb 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 2a4h h PRO 99 CO -0.01 0.00 0.20 0.00 -0.21 0.00 0.00 178.00 177.98 2a4h h ALA 100 N 2.00 1.66 0.00 -0.75 0.00 -1.77 0.33 119.26 120.72 2a4h h ALA 100 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2a4h h ALA 100 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2a4h h ALA 100 CO -0.00 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.17 2a4h n LYS 101 N -4.44 0.11 -3.18 0.00 5.02 -0.19 -4.48 118.16 111.00 2a4h n LYS 101 Ca 0.02 0.22 -0.46 0.00 -2.02 0.00 0.00 58.31 56.08 2a4h n LYS 101 Cb 0.10 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 2a4h n LYS 101 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2a4h s PHE 102 N -3.10 3.31 0.12 2.13 0.08 0.10 -4.92 117.98 115.70 2a4h s PHE 102 Ca 0.09 -1.42 -0.19 0.00 0.12 0.00 0.00 56.93 55.53 2a4h s PHE 102 Cb 0.13 -3.96 -0.05 0.00 -0.57 0.00 0.00 43.02 38.56 2a4h s PHE 102 CO 0.45 -1.19 1.73 -1.00 -0.10 0.00 0.00 175.22 175.11 2a4h h PRO 103 N 8.62 0.37 -0.23 0.24 0.13 -1.80 -2.03 132.00 137.31 2a4h h PRO 103 Ca -0.09 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.07 2a4h h PRO 103 Cb 1.06 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2a4h h PRO 103 CO 0.98 0.32 0.35 -0.91 -0.23 0.00 0.00 178.00 178.50 2a4h h ASN 104 N 0.32 0.00 -3.46 1.44 4.21 -1.91 -3.39 115.58 112.79 2a4h h ASN 104 Ca 0.09 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 57.01 2a4h h ASN 104 Cb 0.05 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.15 2a4h h ASN 104 CO -0.02 0.00 -0.08 -0.22 -1.29 0.00 0.00 177.43 175.82 2a4h s LEU 105 N -6.92 4.16 -0.14 1.61 2.96 -0.76 -2.42 118.68 117.16 2a4h s LEU 105 Ca -0.04 0.65 -0.28 0.00 -0.22 0.00 0.00 54.13 54.24 2a4h s LEU 105 Cb 0.13 -2.66 -0.25 0.00 0.50 0.00 0.00 46.19 43.91 2a4h s LEU 105 CO 0.46 -0.14 0.71 -0.61 -1.32 0.00 0.00 176.35 175.44 2a4h h GLN 106 N 7.38 0.00 -4.86 1.98 5.75 -1.61 -3.47 115.11 120.29 2a4h h GLN 106 Ca -0.35 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 2a4h h GLN 106 Cb 1.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.71 2a4h h GLN 106 CO 0.74 0.97 -0.02 -0.89 -2.65 0.00 0.00 178.83 176.98 2a4h n ILE 107 N -4.60 -8.25 -3.70 2.39 2.08 -1.26 -4.88 119.36 101.13 2a4h n ILE 107 Ca -0.11 -0.15 -0.31 0.00 0.56 0.00 0.00 62.75 62.73 2a4h n ILE 107 Cb 0.48 -6.22 -0.04 0.00 -0.75 0.00 0.00 39.64 33.11 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 -2.97 3.59 -0.78 0.38 2.20 -0.77 -4.88 119.74 116.51 2a4h s LYS 108 Ca 0.01 -0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.49 2a4h s LYS 108 Cb -0.00 -2.86 0.29 0.00 -1.51 0.00 0.00 37.83 33.75 2a4h s LYS 108 CO 0.59 0.47 1.10 0.66 -0.36 0.00 0.00 175.35 177.81 2a4h n TYR 109 N 0.01 3.30 -0.80 4.03 4.01 -1.25 -1.57 117.16 124.87 2a4h n TYR 109 Ca -0.03 -3.54 -0.27 0.00 -0.16 0.00 0.00 57.90 53.89 2a4h n TYR 109 Cb 0.52 -0.79 0.02 0.00 -0.31 0.00 0.00 39.34 38.78 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 0.60 0.00 -0.20 -0.72 3.14 0.46 -4.74 118.33 116.87 2a4h n VAL 110 Ca 0.31 -0.37 -0.02 0.00 -2.96 0.00 0.00 64.34 61.31 2a4h n VAL 110 Cb 0.37 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.20 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 -0.49 -0.03 0.00 1.45 2.47 -1.98 -3.39 114.38 112.41 2a4h h ARG 111 Ca -0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 2a4h h ARG 111 Cb 1.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 2a4h h ARG 111 CO 0.22 -0.02 0.00 0.41 0.56 0.00 0.00 179.97 181.14 2a4h n GLY 112 N -1.43 -1.94 0.00 0.04 0.00 -1.26 -4.93 105.19 95.67 2a4h n GLY 112 Ca 0.07 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 -5.03 117.00 111.59 2a4h n LEU 113 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 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 0.08 1.51 -1.33 0.00 0.00 177.39 177.65 2a4h s ASP 114 N 0.03 6.57 -0.11 -1.43 -4.77 -1.26 -4.29 116.67 111.42 2a4h s ASP 114 Ca 0.00 0.73 -0.29 0.00 -3.30 0.00 0.00 52.55 49.68 2a4h s ASP 114 Cb 0.00 -2.15 -0.06 0.00 -1.09 0.00 0.00 42.92 39.62 2a4h s ASP 114 CO 0.00 0.08 1.99 -2.84 0.70 0.00 0.00 175.17 175.10 2a4h s PRO 115 N -2.38 3.70 0.07 2.11 0.02 -1.26 -4.66 135.00 132.60 2a4h s PRO 115 Ca 0.39 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.64 2a4h s PRO 115 Cb -0.13 -4.21 -0.03 0.00 0.02 0.00 0.00 34.50 30.15 2a4h s PRO 115 CO 0.21 -1.44 -0.07 0.08 -0.33 0.00 0.00 177.00 175.45 2a4h s VAL 116 N 6.02 0.61 -0.62 3.83 1.01 -0.94 -1.06 120.40 129.25 2a4h s VAL 116 Ca 0.89 -1.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 2a4h s VAL 116 Cb -0.36 -1.16 0.16 0.00 0.00 0.00 0.00 36.38 35.02 2a4h s VAL 116 CO 0.37 -0.64 0.52 0.68 0.00 0.00 0.00 175.10 176.03 2a4h s VAL 117 N -2.55 4.70 -0.55 2.92 -7.23 -0.41 -2.53 120.40 114.75 2a4h s VAL 117 Ca 0.01 -2.20 -0.21 0.00 -1.81 0.00 0.00 61.98 57.77 2a4h s VAL 117 Cb -0.02 -4.00 0.06 0.00 0.56 0.00 0.00 36.38 32.97 2a4h s VAL 117 CO -0.02 -0.89 0.77 -0.54 -0.31 0.00 0.00 175.10 174.10 2a4h s LYS 118 N 0.73 3.17 0.08 4.82 -0.14 0.06 -2.94 119.74 125.52 2a4h s LYS 118 Ca 0.11 -0.74 -0.22 0.00 -1.36 0.00 0.00 55.97 53.76 2a4h s LYS 118 Cb -0.21 -4.12 -0.06 0.00 -1.68 0.00 0.00 37.83 31.76 2a4h s LYS 118 CO -0.03 -1.40 0.67 -0.51 -0.76 0.00 0.00 175.35 173.32 2a4h s LEU 119 N 3.19 4.51 0.00 3.17 1.02 0.11 0.18 118.68 130.85 2a4h s LEU 119 Ca 0.20 1.39 0.03 0.00 0.02 0.00 0.00 54.13 55.77 2a4h s LEU 119 Cb -0.17 -3.08 -0.01 0.00 0.02 0.00 0.00 46.19 42.94 2a4h s LEU 119 CO 0.13 0.16 0.12 0.18 0.02 0.00 0.00 176.35 176.97 2a4h n LEU 120 N 2.14 0.00 -0.04 1.79 4.32 0.30 0.90 117.00 126.42 2a4h n LEU 120 Ca -0.07 -1.98 -0.08 0.00 -0.02 0.00 0.00 56.01 53.86 2a4h n LEU 120 Cb 0.50 0.80 -0.03 0.00 -1.62 0.00 0.00 43.42 43.07 2a4h n LEU 120 CO 0.44 -0.32 -0.73 -0.67 -1.22 0.00 0.00 177.39 174.89 2a4h n ASP 121 N -1.89 0.60 0.00 -1.43 2.03 -1.26 -1.94 116.55 112.66 2a4h n ASP 121 Ca -0.01 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2a4h n ASP 121 Cb 0.39 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 -3.38 0.00 0.25 -1.67 0.00 -1.26 -4.34 120.51 110.12 2a4h n ALA 122 Ca -0.15 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.44 2a4h n ALA 122 Cb 0.58 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.56 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 -3.46 113.55 108.08 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 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.37 2a4h n GLY 124 N 0.27 1.89 0.25 -3.77 0.00 -1.26 -5.05 105.19 97.53 2a4h n GLY 124 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.32 -3.34 1.61 1.63 -1.92 -3.48 116.57 110.74 2a4h h LYS 125 Ca 0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2a4h h LYS 125 Cb 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2a4h h LYS 125 CO 0.00 -0.21 -0.02 0.28 -3.45 0.00 0.00 179.45 176.05 2a4h n VAL 126 N -5.35 -2.29 -0.22 2.00 0.31 -1.25 -4.96 118.33 106.58 2a4h n VAL 126 Ca -0.04 -0.06 0.02 0.00 -0.01 0.00 0.00 64.34 64.25 2a4h n VAL 126 Cb 0.26 -3.92 0.13 0.00 -0.91 0.00 0.00 33.84 29.40 2a4h n VAL 126 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2a4h h GLN 127 N 0.03 0.22 -4.19 5.55 5.75 0.24 -3.43 115.11 119.28 2a4h h GLN 127 Ca -0.01 -0.01 -0.23 0.00 -0.15 0.00 0.00 58.65 58.25 2a4h h GLN 127 Cb 1.01 -0.05 -0.22 0.00 1.07 0.00 0.00 27.48 29.28 2a4h h GLN 127 CO 0.05 0.15 -0.72 -1.21 -2.65 0.00 0.00 178.83 174.44 2a4h s GLU 128 N -6.10 0.36 -0.31 1.69 2.02 -1.08 -4.96 118.70 110.33 2a4h s GLU 128 Ca -0.13 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.28 2a4h s GLU 128 Cb 0.19 -0.09 0.12 0.00 0.10 0.00 0.00 34.13 34.46 2a4h s GLU 128 CO 0.74 0.00 0.20 0.99 0.02 0.00 0.00 175.26 177.22 2a4h s THR 129 N -1.17 -0.14 -0.15 3.63 2.01 -1.25 0.09 115.64 118.66 2a4h s THR 129 Ca -0.11 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.03 2a4h s THR 129 Cb -0.08 -0.98 -0.00 0.00 0.01 0.00 0.00 72.50 71.44 2a4h s THR 129 CO -0.00 -0.69 -0.15 -0.76 -0.69 0.00 0.00 174.62 172.32 2a4h s LEU 130 N 1.95 2.52 -0.07 4.42 1.43 -1.15 -4.91 118.68 122.86 2a4h s LEU 130 Ca 0.11 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 2a4h s LEU 130 Cb -0.17 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2a4h s LEU 130 CO -0.27 0.10 1.45 -0.55 0.23 0.00 0.00 176.35 177.31 2a4h s SER 131 N 0.75 6.81 -0.56 2.29 0.15 -1.26 -1.29 113.70 120.59 2a4h s SER 131 Ca -0.06 2.02 0.01 0.00 0.70 0.00 0.00 55.95 58.63 2a4h s SER 131 Cb -0.15 -2.54 0.43 0.00 -1.71 0.00 0.00 66.02 62.05 2a4h s SER 131 CO 0.01 -0.81 1.68 2.30 1.20 0.00 0.00 173.24 177.62 2a4h n ILE 132 N 5.20 3.16 -0.04 6.45 -5.35 -0.22 -4.71 119.36 123.86 2a4h n ILE 132 Ca 0.15 -3.76 -0.03 0.00 -0.27 0.00 0.00 62.75 58.84 2a4h n ILE 132 Cb 0.44 -1.18 0.22 0.00 -1.74 0.00 0.00 39.64 37.37 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 1.69 1.23 0.00 7.28 1.35 -1.92 -3.44 112.91 119.11 2a4h h THR 133 Ca 0.50 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2a4h h THR 133 Cb 0.92 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2a4h h THR 133 CO 1.24 0.34 0.00 0.29 -0.25 0.00 0.00 175.52 177.14 2a4h n LYS 134 N -4.21 0.00 0.00 4.72 5.02 -1.26 -4.82 118.16 117.61 2a4h n LYS 134 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2a4h n LYS 134 Cb 0.31 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 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 -2.58 0.00 0.00 2.13 7.02 -1.26 -3.63 117.44 119.11 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 0.42 0.00 -0.32 -0.99 6.94 -1.26 -5.16 115.26 114.89 2a4h n ASN 136 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2a4h n ASN 136 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2a4h n ASN 136 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 2a4h n THR 137 N -0.05 0.00 0.00 5.53 5.66 -1.24 -4.60 114.28 119.59 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 -3.49 0.00 0.02 1.09 -0.08 -1.26 -3.13 116.55 109.70 2a4h n ASP 138 Ca 0.00 0.00 0.23 0.00 -1.51 0.00 0.00 54.79 53.51 2a4h n ASP 138 Cb 0.00 0.00 0.71 0.00 2.34 0.00 0.00 41.12 44.17 2a4h n ASP 138 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2a4h h THR 139 N 0.00 0.34 -0.44 5.18 2.02 -2.01 0.46 112.91 118.46 2a4h h THR 139 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2a4h h THR 139 Cb 0.00 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2a4h h THR 139 CO 0.00 0.00 0.29 1.62 0.37 0.00 0.00 175.52 177.80 2a4h h VAL 140 N 0.00 1.12 -0.99 3.16 3.04 -1.89 0.10 116.25 120.79 2a4h h VAL 140 Ca 0.27 -0.24 0.19 0.00 -1.01 0.00 0.00 66.70 65.90 2a4h h VAL 140 Cb 1.41 0.49 -0.10 0.00 -2.01 0.00 0.00 31.29 31.08 2a4h h VAL 140 CO -0.00 0.12 0.61 -0.08 -1.01 0.00 0.00 177.57 177.21 2a4h h GLU 141 N 0.60 0.69 -0.03 4.17 4.81 -0.37 0.77 114.58 125.22 2a4h h GLU 141 Ca 0.16 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 2a4h h GLU 141 Cb -0.05 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2a4h h GLU 141 CO -0.03 0.46 -0.59 1.49 -0.73 0.00 0.00 179.01 179.61 2a4h h GLU 142 N 0.71 0.11 -0.84 1.92 4.81 -1.17 -3.07 114.58 117.05 2a4h h GLU 142 Ca 0.56 -0.07 0.21 0.00 -0.13 0.00 0.00 59.36 59.92 2a4h h GLU 142 Cb 0.94 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.20 2a4h h GLU 142 CO -0.34 0.66 0.26 0.35 -0.73 0.00 0.00 179.01 179.21 2a4h h PHE 143 N 0.08 0.40 0.13 0.92 3.57 0.30 0.13 116.94 122.48 2a4h h PHE 143 Ca -0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2a4h h PHE 143 Cb 1.06 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2a4h h PHE 143 CO 0.01 -0.13 -0.06 0.74 -2.23 0.00 0.00 178.31 176.64 2a4h h PHE 144 N 0.28 -0.16 -0.99 0.41 0.04 -1.46 -0.48 116.94 114.58 2a4h h PHE 144 Ca 0.51 -0.00 0.29 0.00 2.80 0.00 0.00 57.97 61.57 2a4h h PHE 144 Cb 0.97 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 39.14 2a4h h PHE 144 CO -0.23 -0.10 0.93 1.05 -0.60 0.00 0.00 178.31 179.35 2a4h h GLU 145 N -0.74 0.00 0.00 1.51 -0.00 -1.42 1.34 114.58 115.27 2a4h h GLU 145 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.10 2a4h h GLU 145 Cb 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.85 2a4h h GLU 145 CO 0.03 0.00 -1.38 0.25 -0.00 0.00 0.00 179.01 177.91 2a4h n THR 146 N -3.67 1.52 0.38 -1.06 -2.24 0.42 -4.29 114.28 105.34 2a4h n THR 146 Ca 0.21 -0.05 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 2a4h n THR 146 Cb 1.25 -2.07 0.52 0.00 -2.10 0.00 0.00 70.33 67.93 2a4h n THR 146 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2a4h h HIS 147 N -1.00 0.00 -5.23 4.78 3.86 0.24 -3.45 115.15 114.35 2a4h h HIS 147 Ca -0.36 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.52 2a4h h HIS 147 Cb 1.25 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.77 2a4h h HIS 147 CO 0.01 0.00 0.04 1.28 0.86 0.00 0.00 177.93 180.12 2a4h n LEU 148 N -2.55 0.00 -4.51 2.43 4.77 0.45 0.31 117.00 117.89 2a4h n LEU 148 Ca 0.02 -1.60 -0.25 0.00 -0.03 0.00 0.00 56.01 54.15 2a4h n LEU 148 Cb 0.30 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 2a4h n LEU 148 CO 0.24 -0.78 -0.21 0.00 -1.33 0.00 0.00 177.39 175.31 2a4h s ALA 149 N -2.86 2.85 -0.70 -1.18 0.00 -1.26 -4.77 121.76 113.85 2a4h s ALA 149 Ca 0.46 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2a4h s ALA 149 Cb -0.03 0.70 0.31 0.00 0.00 0.00 0.00 23.12 24.10 2a4h s ALA 149 CO 0.30 -0.32 1.04 0.36 0.00 0.00 0.00 175.76 177.14 2a4h n LYS 150 N -0.88 3.40 0.00 0.00 0.00 -1.26 -4.45 118.16 114.97 2a4h n LYS 150 Ca -0.06 -4.76 0.00 0.00 -0.00 0.00 0.00 58.31 53.49 2a4h n LYS 150 Cb 0.65 -2.30 0.00 0.00 -0.00 0.00 0.00 35.03 33.39 2a4h n LYS 150 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2a4h n ASP 151 N 0.25 0.00 0.00 -5.58 -0.08 -1.26 -4.63 116.55 105.25 2a4h n ASP 151 Ca 0.32 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 2a4h n ASP 151 Cb 0.38 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.84 2a4h n ASP 151 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a4h n GLY 152 N 0.00 4.59 2.68 0.27 0.00 -1.26 -5.16 105.19 106.31 2a4h n GLY 152 Ca 0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.67 0.35 -1.46 4.61 0.00 -1.26 -4.85 121.76 117.49 2a4h s ALA 153 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.94 2a4h s ALA 153 Cb 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.46 2a4h s ALA 153 CO 0.00 -0.57 0.72 0.41 0.00 0.00 0.00 175.76 176.32 2a4h n GLY 154 N 5.26 -0.51 3.13 0.00 0.00 -1.26 -4.97 105.19 106.84 2a4h n GLY 154 Ca -0.04 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2a4h n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2a4h s LYS 155 N -6.03 0.29 0.20 1.61 2.20 -1.26 -5.04 119.74 111.71 2a4h s LYS 155 Ca 0.43 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 2a4h s LYS 155 Cb -0.21 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 2a4h s LYS 155 CO 0.53 -0.05 0.00 -1.71 -0.36 0.00 0.00 175.35 173.76 2a4h n ASN 156 N 3.08 -0.06 0.10 1.43 5.15 -1.26 -4.79 115.26 118.91 2a4h n ASN 156 Ca -0.14 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.18 2a4h n ASN 156 Cb 0.58 0.26 0.00 0.00 -0.53 0.00 0.00 39.78 40.09 2a4h n ASN 156 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2a4h n SER 157 N -3.21 -0.81 -1.49 1.20 2.88 -1.26 -5.01 113.62 105.92 2a4h n SER 157 Ca 0.00 0.35 -0.04 0.00 -1.33 0.00 0.00 58.87 57.84 2a4h n SER 157 Cb 0.00 0.91 -0.01 0.00 -0.75 0.00 0.00 64.21 64.36 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 -3.03 -0.40 -1.90 0.66 4.11 -1.26 -5.15 117.16 110.19 2a4h n TYR 158 Ca 0.00 -0.83 0.11 0.00 -0.00 0.00 0.00 57.90 57.18 2a4h n TYR 158 Cb 0.00 0.63 -0.03 0.00 -0.00 0.00 0.00 39.34 39.94 2a4h n TYR 158 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 2a4h n SER 159 N -0.30 -5.58 -3.38 9.48 7.64 -1.26 -4.87 113.62 115.35 2a4h n SER 159 Ca -0.20 0.83 -0.18 0.00 1.01 0.00 0.00 58.87 60.33 2a4h n SER 159 Cb 0.80 -2.33 0.17 0.00 -1.01 0.00 0.00 64.21 61.83 2a4h n SER 159 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2a4h n VAL 160 N -2.83 0.00 -3.75 0.44 0.24 -1.26 -5.01 118.33 106.17 2a4h n VAL 160 Ca 0.01 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 2a4h n VAL 160 Cb 0.35 -0.57 -0.16 0.00 -1.47 0.00 0.00 33.84 32.00 2a4h n VAL 160 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2a4h s VAL 161 N -1.93 0.79 0.20 3.34 1.01 -1.26 -5.12 120.40 117.42 2a4h s VAL 161 Ca 0.39 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 2a4h s VAL 161 Cb -0.07 -1.43 -0.08 0.00 0.00 0.00 0.00 36.38 34.79 2a4h s VAL 161 CO 0.32 -0.46 1.20 -1.83 0.00 0.00 0.00 175.10 174.33 2a4h s GLU 162 N 1.70 4.50 0.05 2.72 -1.05 -1.26 -5.01 118.70 120.34 2a4h s GLU 162 Ca 0.04 1.89 -0.22 0.00 -0.15 0.00 0.00 54.97 56.53 2a4h s GLU 162 Cb -0.17 -3.23 -0.06 0.00 -0.44 0.00 0.00 34.13 30.23 2a4h s GLU 162 CO -0.18 -0.07 0.65 0.34 0.95 0.00 0.00 175.26 176.95 2a4h s ASP 163 N 0.04 7.10 0.40 0.83 2.15 -1.26 -5.08 116.67 120.85 2a4h s ASP 163 Ca 0.52 1.31 0.07 0.00 0.43 0.00 0.00 52.55 54.88 2a4h s ASP 163 Cb -0.33 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 2a4h s ASP 163 CO 0.38 0.14 0.56 0.00 -0.17 0.00 0.00 175.17 176.07 2a4h s ALA 164 N -0.50 4.35 -0.30 3.66 0.00 -1.26 -5.11 121.76 122.60 2a4h s ALA 164 Ca 0.33 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.65 2a4h s ALA 164 Cb -0.20 -1.70 0.18 0.00 0.00 0.00 0.00 23.12 21.41 2a4h s ALA 164 CO 0.20 -0.24 0.97 0.34 0.00 0.00 0.00 175.76 177.03 2a4h s ASP 165 N -4.29 -0.62 -0.30 0.00 -1.08 -1.26 -5.14 116.67 103.98 2a4h s ASP 165 Ca 0.52 0.17 -0.04 0.00 -0.52 0.00 0.00 52.55 52.68 2a4h s ASP 165 Cb -0.10 1.44 0.19 0.00 -1.46 0.00 0.00 42.92 42.99 2a4h s ASP 165 CO 0.33 -0.11 0.80 -0.83 0.52 0.00 0.00 175.17 175.88 2a4h s GLY 166 N 2.94 -0.96 -0.33 2.66 0.00 -1.26 -5.13 107.32 105.23 2a4h s GLY 166 Ca 0.16 1.80 -0.26 0.00 0.00 0.00 0.00 44.72 46.42 2a4h s GLY 166 CO -0.20 3.78 0.92 0.51 0.00 0.00 0.00 173.10 178.11 2a4h s ASP 167 N 2.89 6.74 -0.22 1.64 -4.77 -1.26 -4.90 116.67 116.80 2a4h s ASP 167 Ca 0.15 0.73 0.14 0.00 -3.30 0.00 0.00 52.55 50.27 2a4h s ASP 167 Cb -0.09 -2.47 0.45 0.00 -1.09 0.00 0.00 42.92 39.73 2a4h s ASP 167 CO -0.22 -0.78 1.18 -0.90 0.70 0.00 0.00 175.17 175.16 2a4h n ASP 168 N 6.60 2.73 -0.12 2.11 5.68 -1.26 -4.85 116.55 127.45 2a4h n ASP 168 Ca 0.07 -3.26 -0.05 0.00 -0.50 0.00 0.00 54.79 51.06 2a4h n ASP 168 Cb 0.48 -0.42 0.03 0.00 -1.14 0.00 0.00 41.12 40.07 2a4h n ASP 168 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2a4h h ASP 169 N 1.69 -0.11 -6.09 -1.12 2.03 -2.08 -3.47 116.42 107.26 2a4h h ASP 169 Ca 0.07 0.09 -0.34 0.00 -0.73 0.00 0.00 57.03 56.12 2a4h h ASP 169 Cb 1.37 0.14 0.02 0.00 -0.83 0.00 0.00 39.33 40.03 2a4h h ASP 169 CO 0.32 -0.02 -1.09 -0.62 -1.03 0.00 0.00 179.24 176.79 2a4h n GLU 170 N -5.17 -1.66 -0.00 4.15 1.02 -1.26 -4.91 120.64 112.80 2a4h n GLU 170 Ca 0.03 1.25 0.00 0.00 -0.02 0.00 0.00 57.16 58.42 2a4h n GLU 170 Cb 0.20 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 2a4h n GLU 170 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2a4h n ASP 171 N 0.01 1.63 -4.30 1.62 9.92 -1.26 -5.08 116.55 119.09 2a4h n ASP 171 Ca -0.08 -1.85 -0.33 0.00 -0.53 0.00 0.00 54.79 52.00 2a4h n ASP 171 Cb 0.61 -0.01 0.13 0.00 -0.64 0.00 0.00 41.12 41.21 2a4h n ASP 171 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a4h n TYR 172 N -0.43 -1.70 -3.72 1.24 9.36 -1.26 -4.95 117.16 115.70 2a4h n TYR 172 Ca 0.00 0.20 -0.36 0.00 3.32 0.00 0.00 57.90 61.06 2a4h n TYR 172 Cb 0.31 -1.64 -0.09 0.00 -0.63 0.00 0.00 39.34 37.29 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 0.01 5.23 0.20 2.98 1.43 -1.26 -4.89 118.68 122.39 2a4h s LEU 173 Ca 0.54 -3.00 0.09 0.00 -1.03 0.00 0.00 54.13 50.73 2a4h s LEU 173 Cb -0.15 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.29 2a4h s LEU 173 CO 0.68 -0.33 1.44 0.03 0.23 0.00 0.00 176.35 178.40 2a4h h ARG 174 N 6.83 0.00 0.00 1.70 3.08 -2.01 -3.47 114.38 120.52 2a4h h ARG 174 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2a4h h ARG 174 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2a4h h ARG 174 CO 0.73 0.80 0.00 2.41 -1.07 0.00 0.00 179.97 182.84 2a4h n THR 175 N -3.55 0.00 0.00 2.04 -1.04 -1.26 -4.23 114.28 106.24 2a4h n THR 175 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a4h n THR 175 Cb 0.78 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 2a4h n THR 175 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2a4h n ASN 176 N 1.09 0.00 -4.58 8.00 5.15 -1.26 -5.05 115.26 118.61 2a4h n ASN 176 Ca 0.00 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.73 2a4h n ASN 176 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 2a4h n ASN 176 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2a4h s ARG 177 N 0.00 2.26 0.00 1.20 6.06 -1.26 -5.30 118.95 121.91 2a4h s ARG 177 Ca 0.00 -0.86 0.00 0.00 -2.50 0.00 0.00 55.73 52.37 2a4h s ARG 177 Cb 0.00 -5.16 0.00 0.00 0.06 0.00 0.00 34.95 29.85 2a4h s ARG 177 CO 0.00 -4.16 0.00 1.51 -2.50 0.00 0.00 175.30 170.15