#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s ILE 2 N 0.00 2.03 0.05 -0.61 -4.36 -1.26 -5.12 121.20 111.93 1yhq s ILE 2 Ca 0.00 -0.08 0.01 0.00 -0.26 0.00 0.00 60.65 60.32 1yhq s ILE 2 Cb 0.00 -2.95 -0.03 0.00 1.25 0.00 0.00 42.46 40.73 1yhq s ILE 2 CO 0.00 0.00 -0.05 -0.44 0.24 0.00 0.00 174.94 174.69 1yhq s SER 3 N -4.82 0.67 -0.02 4.36 0.01 -1.26 -5.09 113.70 107.56 1yhq s SER 3 Ca 0.71 -0.75 -0.34 0.00 1.31 0.00 0.00 55.95 56.88 1yhq s SER 3 Cb -0.05 0.11 -0.12 0.00 0.21 0.00 0.00 66.02 66.16 1yhq s SER 3 CO 0.51 -0.39 1.82 -1.22 0.41 0.00 0.00 173.24 174.37 1yhq n TYR 4 N 0.81 2.34 1.52 2.43 4.02 -1.26 -4.83 117.16 122.19 1yhq n TYR 4 Ca -0.18 0.03 0.14 0.00 -0.01 0.00 0.00 57.90 57.88 1yhq n TYR 4 Cb 0.58 -2.65 0.63 0.00 -0.02 0.00 0.00 39.34 37.88 1yhq n TYR 4 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1yhq n SER 5 N 5.95 0.65 -4.27 7.72 3.41 -1.26 -4.83 113.62 120.99 1yhq n SER 5 Ca 0.21 -0.87 -0.24 0.00 -0.26 0.00 0.00 58.87 57.71 1yhq n SER 5 Cb 0.30 -0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 64.09 1yhq n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1yhq s VAL 6 N -2.29 1.67 0.44 -3.33 1.01 -1.26 -5.13 120.40 111.50 1yhq s VAL 6 Ca 0.34 -1.41 -0.23 0.00 0.00 0.00 0.00 61.98 60.68 1yhq s VAL 6 Cb 0.20 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 35.01 1yhq s VAL 6 CO 0.43 0.03 1.11 -1.61 0.00 0.00 0.00 175.10 175.06 1yhq s GLU 7 N -1.64 3.93 -0.04 2.72 2.02 -1.26 -5.05 118.70 119.38 1yhq s GLU 7 Ca 0.06 1.64 -0.01 0.00 0.02 0.00 0.00 54.97 56.68 1yhq s GLU 7 Cb -0.10 -2.45 0.03 0.00 0.10 0.00 0.00 34.13 31.72 1yhq s GLU 7 CO 0.03 -0.37 0.06 0.00 0.02 0.00 0.00 175.26 175.01 1yhq s ALA 8 N -1.62 0.10 -0.42 5.21 0.00 -1.26 -5.10 121.76 118.67 1yhq s ALA 8 Ca 0.61 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 1yhq s ALA 8 Cb -0.25 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1yhq s ALA 8 CO 0.31 -0.33 1.18 0.34 0.00 0.00 0.00 175.76 177.26 1yhq s ASP 9 N 1.71 6.65 0.43 0.00 -1.08 -1.26 -4.91 116.67 118.21 1yhq s ASP 9 Ca -0.01 0.71 0.16 0.00 -0.52 0.00 0.00 52.55 52.89 1yhq s ASP 9 Cb -0.12 -2.55 1.07 0.00 -1.46 0.00 0.00 42.92 39.86 1yhq s ASP 9 CO -0.03 -1.19 1.91 1.55 0.52 0.00 0.00 175.17 177.92 1yhq h PRO 10 N 9.24 0.39 0.00 4.34 0.13 -1.99 -1.65 132.00 142.46 1yhq h PRO 10 Ca -0.23 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1yhq h PRO 10 Cb 1.07 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1yhq h PRO 10 CO 1.09 0.26 0.00 -0.44 -0.23 0.00 0.00 178.00 178.69 1yhq h ASP 11 N 0.41 0.00 0.00 1.44 3.32 -2.03 -3.26 116.42 116.29 1yhq h ASP 11 Ca 0.39 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.36 1yhq h ASP 11 Cb 0.92 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.30 1yhq h ASP 11 CO -0.13 0.00 -0.74 0.35 -1.72 0.00 0.00 179.24 177.01 1yhq n THR 12 N -2.37 0.04 -3.87 0.35 -2.24 -0.72 -5.09 114.28 100.38 1yhq n THR 12 Ca 0.02 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 1yhq n THR 12 Cb 0.23 0.71 -0.09 0.00 -2.10 0.00 0.00 70.33 69.09 1yhq n THR 12 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1yhq s THR 13 N -0.05 0.11 0.02 4.28 -1.32 -0.70 -2.52 115.64 115.46 1yhq s THR 13 Ca 0.16 -0.90 0.05 0.00 -1.21 0.00 0.00 61.69 59.79 1yhq s THR 13 Cb 0.18 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 70.32 1yhq s THR 13 CO -0.08 -0.50 -0.16 0.00 -2.21 0.00 0.00 174.62 171.68 1yhq s ALA 14 N -2.37 1.33 0.33 11.08 0.00 0.07 -4.74 121.76 127.46 1yhq s ALA 14 Ca -0.07 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.19 1yhq s ALA 14 Cb -0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 1yhq s ALA 14 CO -0.03 0.30 -0.12 0.15 0.00 0.00 0.00 175.76 176.05 1yhq s LYS 15 N -0.81 1.78 -0.08 0.00 1.02 -1.26 0.38 119.74 120.77 1yhq s LYS 15 Ca 0.05 -1.89 -0.30 0.00 0.02 0.00 0.00 55.97 53.85 1yhq s LYS 15 Cb -0.07 -1.73 0.11 0.00 -0.52 0.00 0.00 37.83 35.62 1yhq s LYS 15 CO 0.01 0.20 0.88 0.00 -0.92 0.00 0.00 175.35 175.52 1yhq s ALA 16 N -2.58 -1.85 0.05 5.17 0.00 -0.45 -4.61 121.76 117.48 1yhq s ALA 16 Ca 0.32 1.33 -0.11 0.00 0.00 0.00 0.00 51.96 53.50 1yhq s ALA 16 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1yhq s ALA 16 CO 0.16 -0.44 0.24 -1.64 0.00 0.00 0.00 175.76 174.08 1yhq s MET 17 N -1.79 0.78 0.08 0.00 -1.94 -1.26 -1.32 119.30 113.85 1yhq s MET 17 Ca -0.02 -0.64 0.08 0.00 -1.71 0.00 0.00 55.69 53.40 1yhq s MET 17 Cb -0.01 0.33 -0.04 0.00 2.01 0.00 0.00 34.83 37.13 1yhq s MET 17 CO -0.00 -0.24 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.07 1yhq s LEU 18 N -2.24 2.62 -0.07 -0.03 1.43 -0.61 -4.96 118.68 114.82 1yhq s LEU 18 Ca -0.03 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1yhq s LEU 18 Cb 0.00 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1yhq s LEU 18 CO -0.05 0.22 -0.14 -0.13 0.23 0.00 0.00 176.35 176.47 1yhq s ARG 19 N -1.75 1.93 -1.73 1.70 1.81 -1.26 -2.55 118.95 117.12 1yhq s ARG 19 Ca 0.16 -0.50 -0.17 0.00 -1.72 0.00 0.00 55.73 53.50 1yhq s ARG 19 Cb -0.10 -1.56 0.16 0.00 -0.45 0.00 0.00 34.95 32.99 1yhq s ARG 19 CO 0.07 0.06 0.66 0.39 -0.68 0.00 0.00 175.30 175.80 1yhq n GLU 20 N 3.75 -2.33 -2.25 3.54 1.02 -1.04 -4.88 120.64 118.45 1yhq n GLU 20 Ca -0.22 0.29 -0.41 0.00 -0.02 0.00 0.00 57.16 56.79 1yhq n GLU 20 Cb 0.52 -4.85 -0.03 0.00 -0.02 0.00 0.00 31.44 27.06 1yhq n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1yhq s ARG 21 N -7.02 4.40 -0.95 3.49 1.81 0.10 -4.49 118.95 116.28 1yhq s ARG 21 Ca 0.66 2.01 -0.17 0.00 -1.72 0.00 0.00 55.73 56.52 1yhq s ARG 21 Cb -0.37 -3.22 0.16 0.00 -0.45 0.00 0.00 34.95 31.08 1yhq s ARG 21 CO 0.96 -0.25 1.08 -0.65 -0.68 0.00 0.00 175.30 175.77 1yhq s GLN 22 N 0.06 3.69 0.25 3.54 -0.21 -1.26 0.71 119.66 126.44 1yhq s GLN 22 Ca 0.57 -2.08 -0.14 0.00 0.02 0.00 0.00 55.36 53.73 1yhq s GLN 22 Cb -0.36 -4.81 -0.00 0.00 1.00 0.00 0.00 33.01 28.84 1yhq s GLN 22 CO 0.37 -1.64 0.51 0.00 -2.12 0.00 0.00 175.29 172.41 1yhq s MET 23 N 1.81 1.58 0.03 2.91 0.23 -1.24 -5.00 119.30 119.62 1yhq s MET 23 Ca 0.31 -1.21 -0.30 0.00 -1.03 0.00 0.00 55.69 53.46 1yhq s MET 23 Cb -0.06 0.49 -0.08 0.00 -1.53 0.00 0.00 34.83 33.65 1yhq s MET 23 CO -0.08 -0.67 1.80 0.45 -2.03 0.00 0.00 175.02 174.49 1yhq s SER 24 N -3.00 6.53 0.12 -1.18 0.15 -1.26 -4.57 113.70 110.49 1yhq s SER 24 Ca 0.21 2.54 -0.13 0.00 0.70 0.00 0.00 55.95 59.26 1yhq s SER 24 Cb -0.01 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.69 1yhq s SER 24 CO 0.08 -0.98 1.46 0.15 1.20 0.00 0.00 173.24 175.15 1yhq h PHE 25 N 9.54 0.94 -0.62 3.44 3.57 -1.95 -2.27 116.94 129.59 1yhq h PHE 25 Ca -0.45 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 60.78 1yhq h PHE 25 Cb 1.21 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1yhq h PHE 25 CO 0.88 1.04 0.39 0.87 -2.23 0.00 0.00 178.31 179.26 1yhq h LYS 26 N 0.58 0.82 -0.23 1.11 1.57 -2.01 -1.30 116.57 117.11 1yhq h LYS 26 Ca 0.06 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1yhq h LYS 26 Cb 0.85 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1yhq h LYS 26 CO 0.07 0.56 -0.49 0.45 -0.57 0.00 0.00 179.45 179.47 1yhq h HIS 27 N 0.84 0.76 -0.72 -1.35 3.86 -1.92 -3.07 115.15 113.55 1yhq h HIS 27 Ca 0.23 -0.25 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 1yhq h HIS 27 Cb -0.07 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 1yhq h HIS 27 CO 0.00 0.99 0.22 0.77 0.86 0.00 0.00 177.93 180.77 1yhq h SER 28 N 0.49 1.06 -0.62 2.45 0.02 -0.68 -0.91 113.55 115.36 1yhq h SER 28 Ca 0.02 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1yhq h SER 28 Cb 1.03 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 1yhq h SER 28 CO 0.10 0.98 0.37 0.11 -1.14 0.00 0.00 176.83 177.25 1yhq h LYS 29 N 1.08 0.85 -0.29 3.45 1.57 -1.26 -1.24 116.57 120.72 1yhq h LYS 29 Ca 0.23 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1yhq h LYS 29 Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1yhq h LYS 29 CO -0.01 0.62 0.13 0.00 -0.57 0.00 0.00 179.45 179.62 1yhq h ALA 30 N 1.18 0.38 -0.20 3.86 0.00 -1.38 -1.40 119.26 121.70 1yhq h ALA 30 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1yhq h ALA 30 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1yhq h ALA 30 CO -0.04 -0.05 0.04 0.82 0.00 0.00 0.00 179.25 180.02 1yhq h ILE 31 N 0.33 1.22 0.53 0.00 2.04 -1.02 -2.16 117.51 118.44 1yhq h ILE 31 Ca 0.10 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1yhq h ILE 31 Cb 0.14 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1yhq h ILE 31 CO -0.01 0.22 -0.43 0.00 0.00 0.00 0.00 178.15 177.93 1yhq h ALA 32 N 0.84 -1.00 -0.90 1.87 0.00 -1.19 -0.81 119.26 118.08 1yhq h ALA 32 Ca 0.06 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.04 1yhq h ALA 32 Cb 0.30 0.58 -0.16 0.00 0.00 0.00 0.00 17.79 18.51 1yhq h ALA 32 CO 0.00 -1.09 0.13 -0.09 0.00 0.00 0.00 179.25 178.20 1yhq h ARG 33 N -0.94 0.10 -0.23 0.00 2.43 -1.24 -0.88 114.38 113.62 1yhq h ARG 33 Ca -0.06 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 1yhq h ARG 33 Cb 0.80 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1yhq h ARG 33 CO -0.01 0.07 -0.50 1.49 -1.51 0.00 0.00 179.97 179.51 1yhq h GLU 34 N 0.10 0.75 0.00 0.20 4.57 -0.80 -3.30 114.58 116.11 1yhq h GLU 34 Ca 0.56 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1yhq h GLU 34 Cb 1.14 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1yhq h GLU 34 CO -0.76 1.12 -0.27 0.44 -1.18 0.00 0.00 179.01 178.36 1yhq n ILE 35 N -4.11 0.25 -1.74 2.32 -5.35 -0.36 -4.87 119.36 105.49 1yhq n ILE 35 Ca -0.05 -0.15 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 1yhq n ILE 35 Cb 0.60 -0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 38.22 1yhq n ILE 35 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1yhq n LYS 36 N -1.86 2.60 0.00 6.28 4.81 -0.43 -1.81 118.16 127.75 1yhq n LYS 36 Ca 0.05 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1yhq n LYS 36 Cb 0.39 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.77 1yhq n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yhq n GLY 37 N 1.68 3.24 3.92 3.14 0.00 -0.78 -5.03 105.19 111.35 1yhq n GLY 37 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1yhq n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yhq s LYS 38 N -0.75 1.30 0.22 1.61 1.02 -0.75 -4.62 119.74 117.79 1yhq s LYS 38 Ca 0.00 -0.17 -0.17 0.00 0.02 0.00 0.00 55.97 55.65 1yhq s LYS 38 Cb 0.00 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.32 1yhq s LYS 38 CO 0.00 -2.00 0.68 0.99 -0.92 0.00 0.00 175.35 174.10 1yhq s THR 39 N -3.72 4.67 0.22 2.17 2.01 -1.26 -0.47 115.64 119.26 1yhq s THR 39 Ca 0.68 1.07 -0.09 0.00 0.31 0.00 0.00 61.69 63.66 1yhq s THR 39 Cb -0.07 -3.77 0.22 0.00 0.01 0.00 0.00 72.50 68.89 1yhq s THR 39 CO 0.51 0.13 1.66 0.00 -0.69 0.00 0.00 174.62 176.23 1yhq h ALA 40 N 3.18 0.70 -0.87 7.40 0.00 -0.85 0.21 119.26 129.03 1yhq h ALA 40 Ca -0.48 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1yhq h ALA 40 Cb 1.19 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1yhq h ALA 40 CO 0.66 -0.39 0.48 0.78 0.00 0.00 0.00 179.25 180.78 1yhq h GLY 41 N 0.14 1.30 0.97 0.00 0.00 -1.60 -1.13 103.07 102.76 1yhq h GLY 41 Ca 0.35 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1yhq h GLY 41 CO -0.55 0.57 0.20 0.83 0.00 0.00 0.00 176.54 177.59 1yhq h GLU 42 N 1.22 0.74 -0.20 4.80 5.08 -1.18 -2.06 114.58 122.99 1yhq h GLU 42 Ca 0.31 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1yhq h GLU 42 Cb 0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1yhq h GLU 42 CO -0.05 0.66 0.04 0.00 -1.00 0.00 0.00 179.01 178.66 1yhq h ALA 43 N 1.05 0.20 -0.12 3.43 0.00 -0.24 0.51 119.26 124.09 1yhq h ALA 43 Ca 0.17 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1yhq h ALA 43 Cb 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1yhq h ALA 43 CO -0.01 -0.39 -0.09 0.28 0.00 0.00 0.00 179.25 179.04 1yhq h VAL 44 N 0.12 0.74 -0.87 0.00 2.07 -0.98 0.23 116.25 117.56 1yhq h VAL 44 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1yhq h VAL 44 Cb 0.08 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1yhq h VAL 44 CO -0.11 0.00 0.50 0.44 0.02 0.00 0.00 177.57 178.41 1yhq h ASP 45 N -0.10 1.06 0.30 0.57 3.32 -1.11 -1.16 116.42 119.31 1yhq h ASP 45 Ca 0.08 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1yhq h ASP 45 Cb 0.21 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1yhq h ASP 45 CO -0.18 0.84 -0.14 0.22 -1.72 0.00 0.00 179.24 178.25 1yhq h TYR 46 N 1.21 -0.37 -0.15 4.55 3.20 -0.14 -2.23 116.97 123.03 1yhq h TYR 46 Ca 0.31 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1yhq h TYR 46 Cb -0.01 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1yhq h TYR 46 CO 0.01 -0.18 0.00 -0.07 -1.64 0.00 0.00 178.16 176.28 1yhq h LEU 47 N -0.48 0.19 -0.77 2.82 3.38 -0.31 -0.93 115.31 119.21 1yhq h LEU 47 Ca -0.04 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1yhq h LEU 47 Cb 0.36 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1yhq h LEU 47 CO 0.07 0.23 -0.59 -0.33 0.09 0.00 0.00 178.44 177.91 1yhq h GLU 48 N 0.21 0.00 -0.03 1.13 5.08 -1.08 -1.69 114.58 118.20 1yhq h GLU 48 Ca 0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1yhq h GLU 48 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1yhq h GLU 48 CO 0.00 0.59 -0.70 0.00 -1.00 0.00 0.00 179.01 177.91 1yhq h ALA 49 N 1.41 0.78 0.01 3.43 0.00 -0.59 -1.25 119.26 123.05 1yhq h ALA 49 Ca -0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1yhq h ALA 49 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1yhq h ALA 49 CO 0.08 0.82 -0.00 0.28 0.00 0.00 0.00 179.25 180.42 1yhq h VAL 50 N 0.09 1.26 -0.36 0.00 2.07 -0.91 0.90 116.25 119.30 1yhq h VAL 50 Ca -0.02 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.77 1yhq h VAL 50 Cb 1.24 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1yhq h VAL 50 CO 0.10 0.21 0.25 0.40 0.02 0.00 0.00 177.57 178.55 1yhq h ILE 51 N -0.35 0.92 0.00 4.57 2.04 -1.22 0.19 117.51 123.66 1yhq h ILE 51 Ca -0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1yhq h ILE 51 Cb 0.35 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1yhq h ILE 51 CO 0.00 0.04 -0.06 -0.08 0.00 0.00 0.00 178.15 178.05 1yhq h GLU 52 N 0.20 0.00 0.00 2.37 4.57 -0.90 -3.48 114.58 117.35 1yhq h GLU 52 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1yhq h GLU 52 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1yhq h GLU 52 CO -0.03 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.21 1yhq n GLY 53 N 1.15 0.68 0.01 1.92 0.00 0.67 -4.95 105.19 104.67 1yhq n GLY 53 Ca 0.04 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1yhq n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yhq n ASP 54 N 0.51 0.73 -3.78 1.61 8.00 0.13 -4.84 116.55 118.90 1yhq n ASP 54 Ca 0.00 -0.60 -0.24 0.00 0.71 0.00 0.00 54.79 54.66 1yhq n ASP 54 Cb 0.00 0.96 -0.17 0.00 -0.02 0.00 0.00 41.12 41.89 1yhq n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1yhq s GLN 55 N -3.10 0.72 0.31 -1.24 2.00 -1.06 -4.97 119.66 112.31 1yhq s GLN 55 Ca 0.06 0.02 -0.12 0.00 -2.00 0.00 0.00 55.36 53.31 1yhq s GLN 55 Cb 0.16 -1.15 -0.08 0.00 0.80 0.00 0.00 33.01 32.73 1yhq s GLN 55 CO 0.84 -0.33 0.68 -1.25 -0.50 0.00 0.00 175.29 174.72 1yhq s PRO 56 N 1.93 3.90 -0.27 1.67 0.04 -1.26 -3.91 135.00 137.10 1yhq s PRO 56 Ca 0.04 0.51 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 1yhq s PRO 56 Cb -0.13 -2.49 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 1yhq s PRO 56 CO -0.06 0.18 0.25 0.08 0.04 0.00 0.00 177.00 177.49 1yhq s VAL 57 N -1.99 5.27 0.23 -0.36 1.01 0.15 -4.86 120.40 119.84 1yhq s VAL 57 Ca 0.51 0.30 -0.32 0.00 0.00 0.00 0.00 61.98 62.48 1yhq s VAL 57 Cb -0.10 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 1yhq s VAL 57 CO 0.21 0.23 1.71 -2.84 0.00 0.00 0.00 175.10 174.40 1yhq s PRO 58 N 1.80 4.12 -0.76 2.72 0.02 -1.26 -1.57 135.00 140.06 1yhq s PRO 58 Ca 0.10 2.62 -0.06 0.00 0.02 0.00 0.00 61.00 63.67 1yhq s PRO 58 Cb -0.16 -3.06 0.20 0.00 0.02 0.00 0.00 34.50 31.50 1yhq s PRO 58 CO 0.10 -0.74 0.64 -0.06 -0.33 0.00 0.00 177.00 176.61 1yhq s PHE 59 N 0.94 3.64 -0.19 6.54 2.99 -0.17 -4.87 117.98 126.87 1yhq s PHE 59 Ca 0.73 -2.56 0.17 0.00 0.00 0.00 0.00 56.93 55.27 1yhq s PHE 59 Cb -0.50 -3.43 0.04 0.00 0.00 0.00 0.00 43.02 39.14 1yhq s PHE 59 CO 0.35 -0.87 1.29 0.87 -0.00 0.00 0.00 175.22 176.86 1yhq h LYS 60 N 7.05 0.00 0.00 0.44 1.57 -1.92 -3.40 116.57 120.31 1yhq h LYS 60 Ca 0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 1yhq h LYS 60 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1yhq h LYS 60 CO 0.76 0.36 -1.30 0.94 -0.57 0.00 0.00 179.45 179.65 1yhq n GLN 61 N -3.09 0.22 -2.69 3.15 7.27 -1.26 -4.79 117.38 116.18 1yhq n GLN 61 Ca -0.01 0.10 -0.43 0.00 0.07 0.00 0.00 57.00 56.73 1yhq n GLN 61 Cb 0.72 -0.87 0.00 0.00 2.41 0.00 0.00 30.24 32.50 1yhq n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1yhq n HIS 62 N -3.58 3.53 -0.71 3.69 8.25 -1.26 -4.69 115.22 120.46 1yhq n HIS 62 Ca -0.17 -2.99 0.06 0.00 -0.26 0.00 0.00 57.72 54.35 1yhq n HIS 62 Cb 0.54 -1.87 0.08 0.00 1.12 0.00 0.00 29.99 29.86 1yhq n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1yhq n ASN 63 N 3.76 2.06 -4.69 0.41 0.23 -1.26 -4.95 115.26 110.83 1yhq n ASN 63 Ca 0.35 -2.58 -0.42 0.00 -0.53 0.00 0.00 54.58 51.40 1yhq n ASN 63 Cb 0.38 -0.25 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 1yhq n ASN 63 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1yhq s SER 64 N -2.02 6.57 0.00 0.53 1.04 -1.26 -1.83 113.70 116.73 1yhq s SER 64 Ca 0.18 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.14 1yhq s SER 64 Cb 0.16 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1yhq s SER 64 CO 0.02 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1yhq n GLY 65 N 4.05 2.37 3.73 7.32 0.00 -1.26 -5.00 105.19 116.40 1yhq n GLY 65 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1yhq n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yhq s VAL 66 N -3.25 3.46 0.38 1.61 1.01 -0.76 -4.99 120.40 117.85 1yhq s VAL 66 Ca 0.00 1.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.88 1yhq s VAL 66 Cb 0.00 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1yhq s VAL 66 CO 0.00 0.14 1.03 -0.83 0.00 0.00 0.00 175.10 175.45 1yhq s GLY 67 N 0.55 2.76 0.68 4.51 0.00 -1.26 -4.81 107.32 109.76 1yhq s GLY 67 Ca 0.58 0.68 -0.16 0.00 0.00 0.00 0.00 44.72 45.81 1yhq s GLY 67 CO 0.35 1.12 1.20 0.30 0.00 0.00 0.00 173.10 176.06 1yhq s HIS 68 N -1.62 2.21 -0.09 1.90 0.09 -1.26 -3.59 115.29 112.93 1yhq s HIS 68 Ca 0.55 1.57 0.01 0.00 -0.00 0.00 0.00 55.06 57.19 1yhq s HIS 68 Cb -0.22 -3.45 0.02 0.00 -0.00 0.00 0.00 32.58 28.94 1yhq s HIS 68 CO 0.28 -2.41 -0.09 0.15 -0.00 0.00 0.00 174.74 172.66 1yhq s LYS 69 N -3.77 1.54 0.30 1.40 -0.14 0.10 -4.85 119.74 114.31 1yhq s LYS 69 Ca 0.74 -0.31 -0.02 0.00 -1.36 0.00 0.00 55.97 55.03 1yhq s LYS 69 Cb -0.29 -1.45 0.45 0.00 -1.68 0.00 0.00 37.83 34.86 1yhq s LYS 69 CO 0.42 -0.13 1.94 0.66 -0.76 0.00 0.00 175.35 177.48 1yhq h SER 70 N 7.58 0.90 0.45 2.83 4.64 -1.96 -2.42 113.55 125.56 1yhq h SER 70 Ca -0.31 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1yhq h SER 70 Cb 1.16 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1yhq h SER 70 CO 0.44 0.70 0.00 0.29 -0.87 0.00 0.00 176.83 177.39 1yhq n LYS 71 N -4.38 0.13 -2.57 4.77 5.02 -1.26 -4.69 118.16 115.18 1yhq n LYS 71 Ca 0.08 0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 56.11 1yhq n LYS 71 Cb 0.07 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1yhq n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yhq s VAL 72 N -2.78 4.48 -0.17 -0.18 1.01 -0.91 -4.94 120.40 116.92 1yhq s VAL 72 Ca 0.12 1.78 -0.05 0.00 0.00 0.00 0.00 61.98 63.84 1yhq s VAL 72 Cb 0.11 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1yhq s VAL 72 CO 0.28 0.10 -0.01 -0.62 0.00 0.00 0.00 175.10 174.85 1yhq s ASP 73 N 1.10 4.95 0.00 3.32 2.15 -1.26 -4.42 116.67 122.52 1yhq s ASP 73 Ca 0.55 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.43 1yhq s ASP 73 Cb -0.24 -1.82 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 1yhq s ASP 73 CO 0.27 0.16 0.00 0.61 -0.17 0.00 0.00 175.17 176.03 1yhq n GLY 74 N 3.62 0.98 3.52 2.66 0.00 -1.26 -4.96 105.19 109.74 1yhq n GLY 74 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1yhq n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1yhq s TRP 75 N -3.90 0.70 -0.06 1.61 -0.11 -1.26 -5.13 118.94 110.79 1yhq s TRP 75 Ca 0.00 -1.01 -0.05 0.00 1.22 0.00 0.00 56.10 56.26 1yhq s TRP 75 Cb 0.00 0.04 -0.03 0.00 -1.50 0.00 0.00 33.47 31.98 1yhq s TRP 75 CO 0.00 -1.04 -0.11 -0.40 -4.62 0.00 0.00 176.95 170.78 1yhq n ASP 76 N -0.81 0.81 -4.76 5.86 5.68 -1.26 -4.74 116.55 117.33 1yhq n ASP 76 Ca -0.01 0.13 -0.40 0.00 -0.50 0.00 0.00 54.79 54.02 1yhq n ASP 76 Cb 0.62 -0.31 -0.06 0.00 -1.14 0.00 0.00 41.12 40.23 1yhq n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yhq s ALA 77 N -2.19 3.35 0.17 2.12 0.00 -1.26 0.00 121.76 123.95 1yhq s ALA 77 Ca -0.12 0.58 -0.24 0.00 0.00 0.00 0.00 51.96 52.19 1yhq s ALA 77 Cb 0.04 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 20.04 1yhq s ALA 77 CO 0.15 0.22 0.77 0.20 0.00 0.00 0.00 175.76 177.10 1yhq s GLY 78 N -1.20 -0.33 0.19 0.00 0.00 -1.24 -1.00 107.32 103.74 1yhq s GLY 78 Ca 0.41 0.24 -0.01 0.00 0.00 0.00 0.00 44.72 45.36 1yhq s GLY 78 CO 0.31 0.07 0.27 0.54 0.00 0.00 0.00 173.10 174.29 1yhq n ARG 79 N -0.40 0.39 -3.27 2.90 1.74 -0.61 -4.72 116.66 112.69 1yhq n ARG 79 Ca -0.09 -1.48 -0.25 0.00 -0.77 0.00 0.00 57.85 55.26 1yhq n ARG 79 Cb 0.62 1.44 -0.07 0.00 -1.02 0.00 0.00 32.46 33.43 1yhq n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1yhq n TYR 80 N -0.31 2.34 -1.81 -1.55 4.02 -1.26 0.32 117.16 118.91 1yhq n TYR 80 Ca 0.00 -3.94 -0.20 0.00 -0.01 0.00 0.00 57.90 53.75 1yhq n TYR 80 Cb 0.31 -0.48 -0.06 0.00 -0.02 0.00 0.00 39.34 39.09 1yhq n TYR 80 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1yhq s PRO 81 N -2.27 2.03 0.18 -0.72 0.04 -1.26 -4.81 135.00 128.19 1yhq s PRO 81 Ca 0.40 -0.01 -0.08 0.00 0.04 0.00 0.00 61.00 61.35 1yhq s PRO 81 Cb 0.19 -4.94 0.08 0.00 0.04 0.00 0.00 34.50 29.87 1yhq s PRO 81 CO -0.06 -4.05 1.60 1.05 0.04 0.00 0.00 177.00 175.58 1yhq h GLU 82 N 11.83 0.94 0.70 4.56 4.11 -1.93 -2.22 114.58 132.57 1yhq h GLU 82 Ca 0.06 -0.37 -0.03 0.00 0.07 0.00 0.00 59.36 59.08 1yhq h GLU 82 Cb 1.00 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1yhq h GLU 82 CO 1.11 1.03 -0.33 -0.22 0.07 0.00 0.00 179.01 180.67 1yhq h LYS 83 N 0.82 -0.90 -0.61 1.06 3.64 -2.00 0.13 116.57 118.72 1yhq h LYS 83 Ca 0.12 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1yhq h LYS 83 Cb 0.73 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1yhq h LYS 83 CO 0.06 -0.57 0.40 0.00 -2.27 0.00 0.00 179.45 177.07 1yhq h ALA 84 N -0.82 1.67 -0.51 5.00 0.00 -1.93 -1.38 119.26 121.29 1yhq h ALA 84 Ca -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1yhq h ALA 84 Cb 0.74 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1yhq h ALA 84 CO 0.16 0.26 0.29 0.77 0.00 0.00 0.00 179.25 180.72 1yhq h SER 85 N 0.72 0.64 -0.76 0.00 0.02 -1.06 -0.66 113.55 112.44 1yhq h SER 85 Ca 0.24 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1yhq h SER 85 Cb 0.08 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1yhq h SER 85 CO -0.07 0.54 0.31 0.11 -1.14 0.00 0.00 176.83 176.58 1yhq h LYS 86 N 0.68 1.14 -0.62 3.45 1.57 0.16 -1.18 116.57 121.78 1yhq h LYS 86 Ca 0.18 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1yhq h LYS 86 Cb 0.04 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1yhq h LYS 86 CO -0.03 0.93 0.27 0.00 -0.57 0.00 0.00 179.45 180.04 1yhq h ALA 87 N 1.22 1.31 -0.06 3.86 0.00 -0.66 -1.57 119.26 123.34 1yhq h ALA 87 Ca 0.26 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1yhq h ALA 87 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1yhq h ALA 87 CO -0.02 0.52 -0.51 0.74 0.00 0.00 0.00 179.25 179.98 1yhq h PHE 88 N 0.88 0.20 -0.37 0.00 -1.00 -0.50 -1.74 116.94 114.42 1yhq h PHE 88 Ca 0.21 -0.07 -0.08 0.00 2.81 0.00 0.00 57.97 60.85 1yhq h PHE 88 Cb 0.14 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1yhq h PHE 88 CO 0.01 0.65 -0.10 -0.07 -1.61 0.00 0.00 178.31 177.19 1yhq h LEU 89 N 0.13 0.61 -0.40 1.54 3.38 -0.34 0.27 115.31 120.51 1yhq h LEU 89 Ca 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1yhq h LEU 89 Cb 0.95 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1yhq h LEU 89 CO 0.08 0.75 0.14 0.44 0.09 0.00 0.00 178.44 179.93 1yhq h ASP 90 N 0.58 0.57 -0.37 -0.43 5.19 -0.93 0.18 116.42 121.20 1yhq h ASP 90 Ca 0.11 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1yhq h ASP 90 Cb 0.51 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 1yhq h ASP 90 CO 0.03 0.60 0.24 0.25 -3.12 0.00 0.00 179.24 177.24 1yhq h LEU 91 N 0.50 0.43 -1.01 1.55 5.85 -0.59 -1.20 115.31 120.84 1yhq h LEU 91 Ca 0.13 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1yhq h LEU 91 Cb 0.23 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1yhq h LEU 91 CO -0.01 0.33 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.00 1yhq h LEU 92 N 0.50 0.28 -0.87 2.25 3.38 -0.24 -1.06 115.31 119.55 1yhq h LEU 92 Ca 0.14 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1yhq h LEU 92 Cb -0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1yhq h LEU 92 CO -0.03 0.62 -0.02 -0.08 0.09 0.00 0.00 178.44 179.02 1yhq h GLU 93 N 0.24 0.82 -0.04 1.13 4.81 -0.18 -0.74 114.58 120.62 1yhq h GLU 93 Ca 0.03 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1yhq h GLU 93 Cb 0.73 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1yhq h GLU 93 CO 0.06 0.83 -0.13 -0.97 -0.73 0.00 0.00 179.01 178.07 1yhq h ASN 94 N 0.76 0.18 0.55 1.04 -1.24 -0.90 -2.15 115.58 113.82 1yhq h ASN 94 Ca 0.14 -0.63 -0.02 0.00 0.71 0.00 0.00 56.30 56.50 1yhq h ASN 94 Cb 0.49 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.48 1yhq h ASN 94 CO 0.02 0.78 -0.33 0.00 -1.29 0.00 0.00 177.43 176.61 1yhq h ALA 95 N 0.41 -0.83 -0.61 1.57 0.00 -1.12 0.13 119.26 118.80 1yhq h ALA 95 Ca -0.01 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1yhq h ALA 95 Cb 0.76 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1yhq h ALA 95 CO 0.03 -0.98 0.40 0.28 0.00 0.00 0.00 179.25 178.98 1yhq h VAL 96 N -0.83 0.95 -0.12 0.00 2.07 -1.25 0.94 116.25 118.02 1yhq h VAL 96 Ca -0.07 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1yhq h VAL 96 Cb 0.67 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1yhq h VAL 96 CO 0.08 0.10 -0.02 1.23 0.02 0.00 0.00 177.57 178.98 1yhq h GLY 97 N 0.52 0.23 0.76 2.17 0.00 -0.88 -1.35 103.07 104.52 1yhq h GLY 97 Ca 0.27 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.47 1yhq h GLY 97 CO -0.08 0.17 0.55 3.43 0.00 0.00 0.00 176.54 180.61 1yhq h ASN 98 N -0.08 0.89 -0.01 0.19 -0.26 0.24 -1.70 115.58 114.84 1yhq h ASN 98 Ca 0.03 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1yhq h ASN 98 Cb 0.41 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1yhq h ASN 98 CO 0.01 0.58 0.00 0.00 -1.06 0.00 0.00 177.43 176.96 1yhq h ALA 99 N 1.40 0.01 -0.84 -0.83 0.00 -0.66 -2.28 119.26 116.07 1yhq h ALA 99 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1yhq h ALA 99 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1yhq h ALA 99 CO -0.16 -0.49 0.53 -0.44 0.00 0.00 0.00 179.25 178.68 1yhq h ASP 100 N 0.01 0.99 0.53 0.00 3.32 -0.77 -0.84 116.42 119.66 1yhq h ASP 100 Ca 0.01 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1yhq h ASP 100 Cb 0.00 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1yhq h ASP 100 CO -0.01 0.74 0.00 -0.74 -1.72 0.00 0.00 179.24 177.51 1yhq h HIS 101 N 1.14 0.00 -0.01 4.55 2.76 -1.12 -1.45 115.15 121.03 1yhq h HIS 101 Ca 0.30 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1yhq h HIS 101 Cb -0.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1yhq h HIS 101 CO -0.01 0.00 -0.49 1.04 -1.30 0.00 0.00 177.93 177.17 1yhq n GLN 102 N -3.05 0.51 0.00 5.26 6.02 -0.38 -4.96 117.38 120.79 1yhq n GLN 102 Ca -0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 1yhq n GLN 102 Cb 0.19 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1yhq n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1yhq n GLY 103 N 1.43 0.53 3.95 1.08 0.00 -0.54 -5.09 105.19 106.54 1yhq n GLY 103 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1yhq n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yhq s PHE 104 N -2.00 1.63 -0.96 1.61 0.40 -0.84 -4.98 117.98 112.85 1yhq s PHE 104 Ca 0.00 0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.40 1yhq s PHE 104 Cb 0.00 -3.81 0.25 0.00 0.51 0.00 0.00 43.02 39.96 1yhq s PHE 104 CO 0.00 -2.38 0.92 0.34 0.70 0.00 0.00 175.22 174.80 1yhq s ASP 105 N -4.84 6.97 0.11 1.36 -1.08 -1.26 -4.19 116.67 113.73 1yhq s ASP 105 Ca 0.72 -3.15 -0.21 0.00 -0.52 0.00 0.00 52.55 49.39 1yhq s ASP 105 Cb -0.04 -2.19 -0.05 0.00 -1.46 0.00 0.00 42.92 39.18 1yhq s ASP 105 CO 0.51 -0.42 1.24 0.61 0.52 0.00 0.00 175.17 177.62 1yhq n GLY 106 N 3.32 -2.36 0.30 2.66 0.00 -1.26 -1.97 105.19 105.88 1yhq n GLY 106 Ca 0.19 0.92 0.06 0.00 0.00 0.00 0.00 46.02 47.19 1yhq n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yhq h GLU 107 N 0.00 0.63 0.00 1.61 5.08 -1.93 -1.91 114.58 118.06 1yhq h GLU 107 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1yhq h GLU 107 Cb 0.28 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1yhq h GLU 107 CO -0.64 0.41 0.00 0.00 -1.00 0.00 0.00 179.01 177.78 1yhq n ALA 108 N -2.42 1.85 -1.77 3.43 0.00 -0.83 -1.65 120.51 119.12 1yhq n ALA 108 Ca 0.16 -0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.22 1yhq n ALA 108 Cb 0.39 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1yhq n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1yhq s MET 109 N -3.13 3.85 0.16 0.00 -1.94 -0.72 -4.62 119.30 112.89 1yhq s MET 109 Ca 0.08 1.85 -0.23 0.00 -1.71 0.00 0.00 55.69 55.67 1yhq s MET 109 Cb 0.11 -2.52 -0.08 0.00 2.01 0.00 0.00 34.83 34.35 1yhq s MET 109 CO 0.40 -0.50 0.73 0.99 -0.01 0.00 0.00 175.02 176.64 1yhq s THR 110 N -1.46 4.46 -0.91 2.05 2.01 0.11 -1.06 115.64 120.83 1yhq s THR 110 Ca 0.61 1.55 -0.24 0.00 0.31 0.00 0.00 61.69 63.92 1yhq s THR 110 Cb -0.31 -4.05 0.04 0.00 0.01 0.00 0.00 72.50 68.19 1yhq s THR 110 CO 0.38 0.48 1.41 -0.63 -0.69 0.00 0.00 174.62 175.57 1yhq s ILE 111 N -1.20 3.83 0.14 1.82 1.01 0.38 -0.25 121.20 126.92 1yhq s ILE 111 Ca 0.36 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 1yhq s ILE 111 Cb -0.21 -4.96 -0.04 0.00 0.01 0.00 0.00 42.46 37.26 1yhq s ILE 111 CO 0.24 -1.86 1.48 0.50 0.00 0.00 0.00 174.94 175.30 1yhq h LYS 112 N 10.02 0.91 -2.98 2.79 3.64 -1.40 -2.07 116.57 127.48 1yhq h LYS 112 Ca 0.03 -0.46 -0.16 0.00 -1.27 0.00 0.00 60.65 58.79 1yhq h LYS 112 Cb 1.03 0.01 -0.26 0.00 -0.41 0.00 0.00 32.23 32.59 1yhq h LYS 112 CO 1.37 1.11 -0.39 -1.58 -2.27 0.00 0.00 179.45 177.69 1yhq s HIS 113 N -4.46 -0.36 -0.24 1.91 5.04 -1.07 -4.84 115.29 111.28 1yhq s HIS 113 Ca -0.11 0.84 -0.10 0.00 -1.54 0.00 0.00 55.06 54.15 1yhq s HIS 113 Cb 0.11 0.11 0.09 0.00 0.04 0.00 0.00 32.58 32.94 1yhq s HIS 113 CO 0.87 -0.19 0.54 0.54 -2.34 0.00 0.00 174.74 174.16 1yhq s VAL 114 N 0.55 -0.50 -0.10 0.89 0.11 -1.26 -0.29 120.40 119.81 1yhq s VAL 114 Ca -0.03 0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 58.90 1yhq s VAL 114 Cb -0.05 -0.82 0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1yhq s VAL 114 CO -0.03 0.03 0.46 0.00 -3.33 0.00 0.00 175.10 172.22 1yhq s ALA 115 N 2.26 -1.15 0.04 1.54 0.00 -0.90 -4.73 121.76 118.81 1yhq s ALA 115 Ca -0.06 0.99 0.02 0.00 0.00 0.00 0.00 51.96 52.90 1yhq s ALA 115 Cb -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1yhq s ALA 115 CO -0.16 -0.26 0.08 0.00 0.00 0.00 0.00 175.76 175.41 1yhq s ALA 116 N -0.56 3.56 -0.01 0.00 0.00 -1.26 -1.53 121.76 121.97 1yhq s ALA 116 Ca -0.07 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1yhq s ALA 116 Cb -0.03 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1yhq s ALA 116 CO 0.04 0.72 -0.03 -1.01 0.00 0.00 0.00 175.76 175.48 1yhq s HIS 117 N -1.30 0.36 -0.36 0.00 3.76 0.27 -4.95 115.29 113.07 1yhq s HIS 117 Ca 0.26 -0.06 -0.25 0.00 -0.15 0.00 0.00 55.06 54.86 1yhq s HIS 117 Cb -0.12 -0.27 0.01 0.00 1.11 0.00 0.00 32.58 33.31 1yhq s HIS 117 CO 0.18 -0.04 0.90 0.21 -0.85 0.00 0.00 174.74 175.15 1yhq s LYS 118 N 0.15 3.84 0.00 1.40 2.20 -1.26 -1.19 119.74 124.87 1yhq s LYS 118 Ca -0.01 0.54 0.24 0.00 -0.36 0.00 0.00 55.97 56.39 1yhq s LYS 118 Cb -0.04 -3.80 0.39 0.00 -1.51 0.00 0.00 37.83 32.87 1yhq s LYS 118 CO -0.00 -0.92 1.33 0.28 -0.36 0.00 0.00 175.35 175.68 1yhq n VAL 119 N 5.92 0.00 -2.57 4.02 0.31 0.38 -4.97 118.33 121.41 1yhq n VAL 119 Ca 0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1yhq n VAL 119 Cb 0.48 0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.86 1yhq n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yhq n GLY 120 N 1.47 -1.31 3.00 2.92 0.00 -1.18 -4.97 105.19 105.11 1yhq n GLY 120 Ca 0.07 -1.36 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 1yhq n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yhq s GLU 121 N -1.96 0.77 -0.28 1.61 2.02 -1.26 0.84 118.70 120.44 1yhq s GLU 121 Ca 0.00 -0.28 -0.23 0.00 0.02 0.00 0.00 54.97 54.47 1yhq s GLU 121 Cb 0.00 -0.74 -0.00 0.00 0.10 0.00 0.00 34.13 33.48 1yhq s GLU 121 CO 0.00 0.14 0.78 -1.14 0.02 0.00 0.00 175.26 175.06 1yhq s GLN 122 N 0.01 4.04 0.30 1.61 0.74 0.17 -4.88 119.66 121.66 1yhq s GLN 122 Ca 0.00 0.68 -0.27 0.00 0.05 0.00 0.00 55.36 55.82 1yhq s GLN 122 Cb -0.06 -3.69 -0.10 0.00 1.10 0.00 0.00 33.01 30.26 1yhq s GLN 122 CO -0.00 -0.60 0.94 -0.65 -0.55 0.00 0.00 175.29 174.43 1yhq s GLN 123 N 2.87 4.65 0.11 1.67 -0.21 -1.26 -0.85 119.66 126.63 1yhq s GLN 123 Ca 0.32 1.36 -0.02 0.00 0.02 0.00 0.00 55.36 57.04 1yhq s GLN 123 Cb -0.15 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 1yhq s GLN 123 CO 0.11 0.35 0.04 0.20 -2.12 0.00 0.00 175.29 173.86 1yhq s GLY 124 N -1.50 0.77 -0.03 3.09 0.00 -1.14 -4.93 107.32 103.59 1yhq s GLY 124 Ca 0.48 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.89 1yhq s GLY 124 CO 0.26 -1.31 -0.11 -1.60 0.00 0.00 0.00 173.10 170.34 1yhq s ARG 125 N -4.00 1.11 -0.19 2.90 6.06 -1.26 -0.94 118.95 122.63 1yhq s ARG 125 Ca 0.18 -0.37 0.01 0.00 -2.50 0.00 0.00 55.73 53.05 1yhq s ARG 125 Cb 0.07 -1.02 0.03 0.00 0.06 0.00 0.00 34.95 34.09 1yhq s ARG 125 CO -0.02 0.14 -0.16 0.21 -2.50 0.00 0.00 175.30 172.97 1yhq s LYS 126 N 0.15 2.61 0.34 5.12 2.47 0.49 -4.83 119.74 126.08 1yhq s LYS 126 Ca -0.03 -0.87 -0.29 0.00 -1.56 0.00 0.00 55.97 53.22 1yhq s LYS 126 Cb -0.09 -2.52 -0.11 0.00 -1.46 0.00 0.00 37.83 33.65 1yhq s LYS 126 CO 0.01 -0.30 1.52 -2.14 0.16 0.00 0.00 175.35 174.60 1yhq s PRO 127 N 1.31 4.13 0.43 4.03 0.02 -1.26 -1.40 135.00 142.25 1yhq s PRO 127 Ca 0.02 2.55 0.03 0.00 0.02 0.00 0.00 61.00 63.63 1yhq s PRO 127 Cb -0.15 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 1yhq s PRO 127 CO -0.11 -0.56 0.06 1.03 -0.33 0.00 0.00 177.00 177.09 1yhq s ARG 128 N -1.36 1.98 0.89 5.54 1.81 0.22 -4.89 118.95 123.15 1yhq s ARG 128 Ca 0.57 -2.21 -0.11 0.00 -1.72 0.00 0.00 55.73 52.26 1yhq s ARG 128 Cb -0.47 -1.09 0.13 0.00 -0.45 0.00 0.00 34.95 33.07 1yhq s ARG 128 CO 0.56 -0.34 1.09 0.00 -0.68 0.00 0.00 175.30 175.93 1yhq s ALA 129 N -3.05 1.51 -1.31 2.13 0.00 -1.26 -3.74 121.76 116.04 1yhq s ALA 129 Ca 0.21 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1yhq s ALA 129 Cb 0.04 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1yhq s ALA 129 CO 0.11 -2.42 0.00 -1.33 0.00 0.00 0.00 175.76 172.12 1yhq n MET 130 N -3.95 -1.12 -1.50 0.00 2.81 -1.26 -3.32 117.12 108.78 1yhq n MET 130 Ca 0.08 0.78 -0.10 0.00 -1.81 0.00 0.00 57.70 56.64 1yhq n MET 130 Cb 0.54 -5.04 -0.04 0.00 -0.71 0.00 0.00 33.22 27.98 1yhq n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1yhq n GLY 131 N -1.06 0.92 3.41 3.03 0.00 -1.25 -5.02 105.19 105.21 1yhq n GLY 131 Ca -0.17 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 1yhq n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yhq s ARG 132 N -3.24 1.48 0.13 1.61 3.52 -1.21 -5.01 118.95 116.24 1yhq s ARG 132 Ca 0.00 -1.49 0.08 0.00 -0.13 0.00 0.00 55.73 54.20 1yhq s ARG 132 Cb 0.00 -1.84 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 1yhq s ARG 132 CO 0.00 0.40 -0.19 0.00 -0.81 0.00 0.00 175.30 174.71 1yhq s ALA 133 N -1.56 1.86 0.20 6.12 0.00 -1.26 0.73 121.76 127.85 1yhq s ALA 133 Ca 0.19 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1yhq s ALA 133 Cb -0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1yhq s ALA 133 CO 0.09 0.28 0.01 -1.54 0.00 0.00 0.00 175.76 174.59 1yhq s SER 134 N -2.31 1.40 0.48 0.00 1.04 -0.50 -4.91 113.70 108.90 1yhq s SER 134 Ca 0.11 -1.21 -0.24 0.00 0.48 0.00 0.00 55.95 55.09 1yhq s SER 134 Cb -0.08 0.09 -0.08 0.00 0.10 0.00 0.00 66.02 66.06 1yhq s SER 134 CO 0.05 -0.57 1.34 0.00 0.98 0.00 0.00 173.24 175.05 1yhq n ALA 135 N -0.32 1.61 -3.01 5.32 0.00 -1.26 -0.38 120.51 122.47 1yhq n ALA 135 Ca -0.05 0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 1yhq n ALA 135 Cb 0.64 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 1yhq n ALA 135 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1yhq n TRP 136 N -0.53 -1.94 -3.06 0.00 -0.00 -0.12 -4.65 117.44 107.15 1yhq n TRP 136 Ca 0.08 -2.61 -0.19 0.00 -0.00 0.00 0.00 57.50 54.77 1yhq n TRP 136 Cb 0.42 0.64 0.01 0.00 -0.00 0.00 0.00 31.31 32.38 1yhq n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1yhq s ASN 137 N -0.91 5.69 -0.12 5.87 0.01 -1.26 -2.87 114.94 121.34 1yhq s ASN 137 Ca 0.33 -0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.33 1yhq s ASN 137 Cb 0.15 -0.99 0.01 0.00 0.41 0.00 0.00 41.25 40.83 1yhq s ASN 137 CO -0.16 -0.74 -0.19 -0.44 -1.51 0.00 0.00 177.10 174.06 1yhq s SER 138 N -4.30 2.79 0.55 -1.22 0.01 -0.03 -4.95 113.70 106.56 1yhq s SER 138 Ca 0.52 -0.52 -0.20 0.00 1.31 0.00 0.00 55.95 57.06 1yhq s SER 138 Cb -0.10 -1.27 -0.05 0.00 0.21 0.00 0.00 66.02 64.81 1yhq s SER 138 CO 0.34 0.05 1.18 -2.84 0.41 0.00 0.00 173.24 172.38 1yhq s PRO 139 N 0.90 3.24 -0.18 12.44 0.02 -1.26 0.42 135.00 150.57 1yhq s PRO 139 Ca -0.07 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.70 1yhq s PRO 139 Cb -0.15 -2.03 0.01 0.00 0.02 0.00 0.00 34.50 32.35 1yhq s PRO 139 CO -0.02 -0.97 -0.17 -0.65 -0.33 0.00 0.00 177.00 174.86 1yhq s GLN 140 N -3.21 3.10 -0.07 5.54 -0.21 0.25 -3.64 119.66 121.41 1yhq s GLN 140 Ca 0.74 -0.78 0.04 0.00 0.02 0.00 0.00 55.36 55.37 1yhq s GLN 140 Cb -0.28 -2.65 -0.02 0.00 1.00 0.00 0.00 33.01 31.07 1yhq s GLN 140 CO 0.31 -0.16 -0.20 0.08 -2.12 0.00 0.00 175.29 173.21 1yhq s VAL 141 N 1.22 2.54 0.09 1.09 1.01 0.22 -0.47 120.40 126.09 1yhq s VAL 141 Ca 0.03 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.17 1yhq s VAL 141 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1yhq s VAL 141 CO -0.08 0.57 -0.05 -1.81 0.00 0.00 0.00 175.10 173.72 1yhq s ASP 142 N -0.22 4.72 -0.13 3.32 1.11 -0.33 0.01 116.67 125.15 1yhq s ASP 142 Ca -0.01 -0.26 -0.10 0.00 0.18 0.00 0.00 52.55 52.36 1yhq s ASP 142 Cb -0.13 -1.03 0.04 0.00 1.07 0.00 0.00 42.92 42.86 1yhq s ASP 142 CO 0.03 0.19 0.32 0.54 1.18 0.00 0.00 175.17 177.43 1yhq s VAL 143 N -1.24 -0.01 0.01 -1.27 0.11 -1.06 -0.57 120.40 116.38 1yhq s VAL 143 Ca 0.23 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.35 1yhq s VAL 143 Cb -0.11 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1yhq s VAL 143 CO 0.15 0.02 -0.01 -1.83 -3.33 0.00 0.00 175.10 170.11 1yhq s GLU 144 N 0.65 2.73 -0.05 1.54 -1.05 -0.58 -1.57 118.70 120.38 1yhq s GLU 144 Ca -0.04 -0.66 -0.02 0.00 -0.15 0.00 0.00 54.97 54.11 1yhq s GLU 144 Cb -0.05 -2.63 0.04 0.00 -0.44 0.00 0.00 34.13 31.04 1yhq s GLU 144 CO -0.04 0.61 0.09 -1.17 0.95 0.00 0.00 175.26 175.70 1yhq s LEU 145 N -1.66 0.73 -0.18 1.83 2.96 -0.43 -2.13 118.68 119.79 1yhq s LEU 145 Ca 0.20 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 1yhq s LEU 145 Cb -0.11 0.14 0.03 0.00 0.50 0.00 0.00 46.19 46.74 1yhq s LEU 145 CO 0.11 -0.16 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.20 1yhq s ILE 146 N 1.34 1.86 -0.05 6.68 1.01 0.60 -1.35 121.20 131.28 1yhq s ILE 146 Ca -0.07 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 1yhq s ILE 146 Cb -0.12 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 1yhq s ILE 146 CO -0.05 0.38 0.31 -0.76 0.00 0.00 0.00 174.94 174.82 1yhq s LEU 147 N 1.34 4.44 -0.01 2.97 1.43 0.16 -1.02 118.68 127.99 1yhq s LEU 147 Ca 0.02 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 1yhq s LEU 147 Cb -0.14 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1yhq s LEU 147 CO -0.10 0.35 -0.09 -0.70 0.23 0.00 0.00 176.35 176.03 1yhq s GLU 148 N -1.00 0.71 0.55 1.70 2.12 0.65 -0.75 118.70 122.68 1yhq s GLU 148 Ca 0.20 -0.33 -0.20 0.00 0.36 0.00 0.00 54.97 55.00 1yhq s GLU 148 Cb -0.15 -0.68 -0.06 0.00 0.26 0.00 0.00 34.13 33.49 1yhq s GLU 148 CO 0.10 0.19 1.02 0.39 -0.54 0.00 0.00 175.26 176.41 1yhq n GLU 149 N 2.83 1.13 0.00 4.30 1.02 -1.05 -0.72 120.64 128.15 1yhq n GLU 149 Ca -0.14 0.42 0.02 0.00 -0.02 0.00 0.00 57.16 57.44 1yhq n GLU 149 Cb 0.57 -2.18 0.10 0.00 -0.02 0.00 0.00 31.44 29.91 1yhq n GLU 149 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01