#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2q h PRO 2 N 0.00 0.00 -0.63 1.61 0.13 -2.09 -3.07 132.00 127.94 1w2q h PRO 2 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1w2q h PRO 2 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1w2q h PRO 2 CO 0.00 0.00 0.42 0.52 -0.23 0.00 0.00 178.00 178.71 1w2q h MET 3 N 0.00 0.56 -6.18 0.86 2.86 -2.14 -3.40 114.93 107.50 1w2q h MET 3 Ca 0.00 -0.03 -0.69 0.00 -2.06 0.00 0.00 59.70 56.91 1w2q h MET 3 Cb 0.41 -0.13 -0.30 0.00 0.06 0.00 0.00 31.60 31.65 1w2q h MET 3 CO 0.00 0.37 -0.87 1.03 1.06 0.00 0.00 176.91 178.50 1w2q s ARG 4 N -5.53 2.47 0.02 1.72 0.52 -1.16 -5.13 118.95 111.86 1w2q s ARG 4 Ca -0.09 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.27 1w2q s ARG 4 Cb 0.19 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 1w2q s ARG 4 CO 0.76 0.45 -0.07 0.50 0.02 0.00 0.00 175.30 176.95 1w2q s ARG 5 N -0.33 0.52 0.06 3.54 3.52 -1.26 -4.73 118.95 120.27 1w2q s ARG 5 Ca 0.02 -0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 55.03 1w2q s ARG 5 Cb -0.12 -0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 32.83 1w2q s ARG 5 CO 0.02 0.09 0.28 -1.21 -0.81 0.00 0.00 175.30 173.67 1w2q s GLU 6 N -1.00 3.54 0.34 5.12 2.02 -1.26 -4.97 118.70 122.49 1w2q s GLU 6 Ca -0.05 -0.20 0.09 0.00 0.02 0.00 0.00 54.97 54.83 1w2q s GLU 6 Cb -0.07 -3.00 0.82 0.00 0.10 0.00 0.00 34.13 31.98 1w2q s GLU 6 CO 0.00 0.58 1.82 -0.09 0.02 0.00 0.00 175.26 177.60 1w2q h ARG 7 N 3.36 0.67 0.00 1.61 9.65 -2.08 -3.48 114.38 124.11 1w2q h ARG 7 Ca -0.47 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1w2q h ARG 7 Cb 1.18 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1w2q h ARG 7 CO 0.71 0.45 0.00 0.41 2.80 0.00 0.00 179.97 184.34 1w2q n GLY 8 N -1.40 -2.70 1.33 2.80 0.00 -1.26 -4.49 105.19 99.47 1w2q n GLY 8 Ca 0.21 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.57 1w2q n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w2q n ARG 9 N -0.40 3.72 -0.24 1.61 1.74 -1.26 -4.56 116.66 117.28 1w2q n ARG 9 Ca 0.00 -2.89 0.11 0.00 -0.77 0.00 0.00 57.85 54.30 1w2q n ARG 9 Cb 0.00 -1.94 0.38 0.00 -1.02 0.00 0.00 32.46 29.89 1w2q n ARG 9 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1w2q h GLN 10 N 2.97 0.66 -0.63 5.56 4.20 -2.00 -0.53 115.11 125.35 1w2q h GLN 10 Ca 0.00 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.72 1w2q h GLN 10 Cb 1.56 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 29.14 1w2q h GLN 10 CO 0.29 0.44 0.35 0.78 -0.67 0.00 0.00 178.83 180.02 1w2q h GLY 11 N 0.68 0.92 1.46 3.46 0.00 -1.90 -1.19 103.07 106.51 1w2q h GLY 11 Ca 0.41 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 1w2q h GLY 11 CO -0.17 0.16 -0.08 -0.55 0.00 0.00 0.00 176.54 175.90 1w2q h ASP 12 N 0.66 0.63 0.21 0.19 3.32 -1.46 -1.74 116.42 118.24 1w2q h ASP 12 Ca 0.28 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1w2q h ASP 12 Cb 0.16 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1w2q h ASP 12 CO -0.17 0.76 -0.01 0.77 -1.72 0.00 0.00 179.24 178.87 1w2q h SER 13 N 0.61 0.00 -4.08 6.45 4.64 -0.69 -3.40 113.55 117.09 1w2q h SER 13 Ca 0.11 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.89 1w2q h SER 13 Cb 0.50 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 62.77 1w2q h SER 13 CO 0.03 0.01 0.27 -1.20 -0.87 0.00 0.00 176.83 175.07 1w2q n SER 14 N -3.17 0.91 0.31 4.97 7.64 -0.66 -4.84 113.62 118.79 1w2q n SER 14 Ca -0.02 0.62 0.20 0.00 1.01 0.00 0.00 58.87 60.67 1w2q n SER 14 Cb 0.13 -1.48 1.02 0.00 -1.01 0.00 0.00 64.21 62.86 1w2q n SER 14 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1w2q h SER 15 N -0.67 0.00 -0.79 6.43 0.02 -1.87 -2.37 113.55 114.29 1w2q h SER 15 Ca -0.47 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 60.71 1w2q h SER 15 Cb 1.31 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.82 1w2q h SER 15 CO 0.46 0.01 0.71 0.00 -1.14 0.00 0.00 176.83 176.87 1w2q h GLU 17 N 0.00 0.00 -0.58 0.00 4.81 -1.63 -2.88 114.58 114.30 1w2q h GLU 17 Ca 0.38 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 1w2q h GLU 17 Cb 1.78 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.14 1w2q h GLU 17 CO -0.00 0.28 -0.05 0.00 -0.73 0.00 0.00 179.01 178.50 1w2q h ARG 18 N 0.00 1.06 -0.28 1.92 3.08 0.12 -2.52 114.38 117.76 1w2q h ARG 18 Ca -0.00 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 1w2q h ARG 18 Cb 0.70 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1w2q h ARG 18 CO 0.04 1.07 0.08 1.96 -1.07 0.00 0.00 179.97 182.04 1w2q h GLN 19 N 0.96 0.40 -0.94 0.04 1.08 -1.52 -1.92 115.11 113.20 1w2q h GLN 19 Ca 0.16 -0.05 0.11 0.00 -1.45 0.00 0.00 58.65 57.42 1w2q h GLN 19 Cb 0.62 -0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.90 1w2q h GLN 19 CO 0.04 0.37 0.60 0.28 -0.95 0.00 0.00 178.83 179.17 1w2q h VAL 20 N 0.40 0.93 0.00 -0.54 2.07 -1.44 1.28 116.25 118.95 1w2q h VAL 20 Ca 0.10 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1w2q h VAL 20 Cb 0.14 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1w2q h VAL 20 CO -0.01 0.17 0.00 0.47 0.02 0.00 0.00 177.57 178.22 1w2q n ASP 21 N -4.57 0.00 0.00 0.57 8.00 -0.73 -2.99 116.55 116.83 1w2q n ASP 21 Ca 0.17 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1w2q n ASP 21 Cb 0.35 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1w2q n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1w2q n ARG 22 N -1.07 -0.57 0.00 -1.24 1.74 0.20 -4.91 116.66 110.81 1w2q n ARG 22 Ca 0.19 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1w2q n ARG 22 Cb 0.13 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1w2q n ARG 22 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1w2q n VAL 23 N -0.01 0.00 -3.79 1.55 0.31 0.38 -4.81 118.33 111.97 1w2q n VAL 23 Ca 0.00 0.71 -0.34 0.00 -0.01 0.00 0.00 64.34 64.70 1w2q n VAL 23 Cb 0.09 -1.36 0.03 0.00 -0.91 0.00 0.00 33.84 31.69 1w2q n VAL 23 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1w2q n ASN 24 N -0.36 -5.04 -2.77 4.52 3.02 -1.26 -4.87 115.26 108.49 1w2q n ASN 24 Ca 0.00 -1.05 -0.32 0.00 -0.03 0.00 0.00 54.58 53.18 1w2q n ASN 24 Cb 0.00 -2.69 0.01 0.00 -0.61 0.00 0.00 39.78 36.48 1w2q n ASN 24 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1w2q n LEU 25 N -4.10 5.75 -0.18 3.41 4.77 -1.26 -4.78 117.00 120.60 1w2q n LEU 25 Ca -0.13 -5.18 -0.07 0.00 -0.03 0.00 0.00 56.01 50.60 1w2q n LEU 25 Cb 0.59 -0.71 0.08 0.00 -2.33 0.00 0.00 43.42 41.05 1w2q n LEU 25 CO 0.68 2.10 0.87 0.50 -1.33 0.00 0.00 177.39 180.21 1w2q h LYS 26 N 2.89 0.99 -0.53 3.23 1.63 -2.00 -2.79 116.57 119.99 1w2q h LYS 26 Ca 0.38 -0.28 -0.09 0.00 -0.85 0.00 0.00 60.65 59.81 1w2q h LYS 26 Cb 0.55 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 1w2q h LYS 26 CO 1.05 0.95 -0.02 -1.00 -3.45 0.00 0.00 179.45 176.97 1w2q h PRO 27 N 0.91 0.92 0.26 1.90 0.13 -1.98 -1.37 132.00 132.78 1w2q h PRO 27 Ca 0.17 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1w2q h PRO 27 Cb 0.48 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1w2q h PRO 27 CO 0.02 0.93 -0.12 0.00 -0.23 0.00 0.00 178.00 178.59 1w2q h GLU 29 N -0.51 0.70 0.00 0.00 4.81 -1.43 0.35 114.58 118.49 1w2q h GLU 29 Ca -0.04 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1w2q h GLU 29 Cb 0.38 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1w2q h GLU 29 CO 0.06 0.46 -0.17 1.96 -0.73 0.00 0.00 179.01 180.59 1w2q h GLN 30 N 0.72 0.00 0.00 1.92 1.08 -0.67 0.65 115.11 118.81 1w2q h GLN 30 Ca 0.38 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.48 1w2q h GLN 30 Cb 0.51 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1w2q h GLN 30 CO -0.15 0.17 -0.49 1.25 -0.95 0.00 0.00 178.83 178.66 1w2q h HIS 31 N 0.00 0.00 0.02 2.96 -0.00 0.82 -1.55 115.15 117.39 1w2q h HIS 31 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 1w2q h HIS 31 Cb 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.80 1w2q h HIS 31 CO 0.00 0.49 -1.78 0.44 -0.00 0.00 0.00 177.93 177.08 1w2q n ILE 32 N -3.33 1.56 -0.20 6.26 -5.35 -0.60 -2.86 119.36 114.85 1w2q n ILE 32 Ca 0.01 -0.23 -0.07 0.00 -0.27 0.00 0.00 62.75 62.19 1w2q n ILE 32 Cb 0.67 -1.93 0.03 0.00 -1.74 0.00 0.00 39.64 36.67 1w2q n ILE 32 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1w2q h MET 33 N -0.81 0.78 -0.21 6.28 2.86 0.15 -1.32 114.93 122.66 1w2q h MET 33 Ca -0.47 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.03 1w2q h MET 33 Cb 1.52 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 1w2q h MET 33 CO -0.23 0.60 -0.08 0.37 1.06 0.00 0.00 176.91 178.64 1w2q h GLN 34 N 0.76 0.42 0.29 1.72 4.15 -1.45 -2.75 115.11 118.24 1w2q h GLN 34 Ca 0.20 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1w2q h GLN 34 Cb 0.04 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 1w2q h GLN 34 CO -0.03 0.69 -0.19 -0.09 -1.93 0.00 0.00 178.83 177.27 1w2q h ARG 35 N 0.13 -0.44 -1.12 1.69 9.65 -1.36 -1.00 114.38 121.93 1w2q h ARG 35 Ca 0.05 0.03 0.33 0.00 -1.10 0.00 0.00 59.98 59.28 1w2q h ARG 35 Cb 0.55 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.18 1w2q h ARG 35 CO 0.03 -0.29 1.05 -0.84 2.80 0.00 0.00 179.97 182.72 1w2q h ILE 36 N -0.45 0.14 -0.00 1.20 3.07 -1.34 2.05 117.51 122.17 1w2q h ILE 36 Ca -0.04 0.00 -0.16 0.00 1.55 0.00 0.00 64.86 66.21 1w2q h ILE 36 Cb 0.37 0.19 -0.02 0.00 -0.27 0.00 0.00 36.82 37.09 1w2q h ILE 36 CO 0.03 0.00 -0.75 0.24 -1.05 0.00 0.00 178.15 176.61 1w2q h MET 37 N 0.00 0.01 0.00 0.16 2.86 -0.89 -3.06 114.93 114.01 1w2q h MET 37 Ca 0.53 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 58.08 1w2q h MET 37 Cb 2.63 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 34.28 1w2q h MET 37 CO -0.01 0.76 -0.39 0.78 1.06 0.00 0.00 176.91 179.11 1w2q h GLY 38 N 2.24 0.00 2.00 8.32 0.00 0.41 -2.46 103.07 113.58 1w2q h GLY 38 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1w2q h GLY 38 CO 0.10 0.00 -0.20 0.83 0.00 0.00 0.00 176.54 177.27 1w2q h GLU 39 N 0.00 0.00 -0.46 4.80 5.08 -1.41 -2.61 114.58 119.98 1w2q h GLU 39 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1w2q h GLU 39 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1w2q h GLU 39 CO 0.05 0.20 0.28 0.37 -1.00 0.00 0.00 179.01 178.91 1w2q h GLN 40 N 0.00 0.61 -5.89 2.33 4.15 -1.51 -3.40 115.11 111.40 1w2q h GLN 40 Ca -0.00 -0.05 -0.67 0.00 0.77 0.00 0.00 58.65 58.70 1w2q h GLN 40 Cb 0.56 -0.13 -0.16 0.00 0.21 0.00 0.00 27.48 27.95 1w2q h GLN 40 CO 0.03 0.43 -0.64 -2.00 -1.93 0.00 0.00 178.83 174.72 1w2q s GLU 41 N -5.50 3.07 0.20 1.69 2.12 -0.99 -5.11 118.70 114.19 1w2q s GLU 41 Ca -0.09 -0.44 0.11 0.00 0.36 0.00 0.00 54.97 54.91 1w2q s GLU 41 Cb 0.17 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 1w2q s GLU 41 CO 0.74 0.62 -0.22 -0.65 -0.54 0.00 0.00 175.26 175.22 1w2q s GLN 42 N -0.67 1.48 -0.17 4.30 -0.21 -1.26 -4.93 119.66 118.19 1w2q s GLN 42 Ca 0.11 -1.54 -0.03 0.00 0.02 0.00 0.00 55.36 53.92 1w2q s GLN 42 Cb -0.12 -1.68 -0.02 0.00 1.00 0.00 0.00 33.01 32.20 1w2q s GLN 42 CO 0.02 0.35 -0.07 0.71 -2.12 0.00 0.00 175.29 174.18 1w2q s TYR 43 N -1.96 2.93 0.24 0.91 2.02 -1.26 -4.99 117.35 115.25 1w2q s TYR 43 Ca 0.21 -0.65 -0.01 0.00 -0.37 0.00 0.00 57.07 56.26 1w2q s TYR 43 Cb -0.07 -1.98 0.28 0.00 -0.40 0.00 0.00 41.96 39.79 1w2q s TYR 43 CO 0.10 -0.29 1.65 -0.44 -1.57 0.00 0.00 175.55 175.00 1w2q h ASP 44 N 7.25 0.59 -4.32 2.29 3.32 -2.08 -3.44 116.42 120.04 1w2q h ASP 44 Ca -0.33 -0.23 -0.51 0.00 0.02 0.00 0.00 57.03 55.98 1w2q h ASP 44 Cb 1.19 -0.16 0.10 0.00 0.22 0.00 0.00 39.33 40.67 1w2q h ASP 44 CO 0.60 0.87 0.36 -0.94 -1.72 0.00 0.00 179.24 178.40 1w2q s SER 45 N -6.82 5.10 -0.11 6.45 1.04 -1.26 -5.05 113.70 113.05 1w2q s SER 45 Ca -0.08 1.55 0.02 0.00 0.48 0.00 0.00 55.95 57.92 1w2q s SER 45 Cb 0.13 -2.38 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1w2q s SER 45 CO 0.81 -1.61 -0.17 -0.47 0.98 0.00 0.00 173.24 172.78 1w2q s TYR 46 N -3.07 2.70 -0.10 5.02 5.04 -1.26 -5.09 117.35 120.60 1w2q s TYR 46 Ca 0.59 -0.73 -0.29 0.00 -2.44 0.00 0.00 57.07 54.20 1w2q s TYR 46 Cb -0.14 -1.77 -0.02 0.00 0.35 0.00 0.00 41.96 40.38 1w2q s TYR 46 CO 0.55 -0.24 0.98 -0.51 -1.34 0.00 0.00 175.55 174.98 1w2q s ASP 47 N 0.23 7.23 0.25 4.32 1.01 -1.26 -4.92 116.67 123.52 1w2q s ASP 47 Ca -0.11 1.51 -0.06 0.00 0.71 0.00 0.00 52.55 54.60 1w2q s ASP 47 Cb -0.16 -2.54 0.26 0.00 1.01 0.00 0.00 42.92 41.49 1w2q s ASP 47 CO 0.06 -0.41 1.89 0.40 0.21 0.00 0.00 175.17 177.33 1w2q h ILE 48 N 5.05 1.25 -2.76 0.77 1.08 -2.07 -3.42 117.51 117.41 1w2q h ILE 48 Ca -0.32 -0.56 -0.60 0.00 -0.39 0.00 0.00 64.86 62.98 1w2q h ILE 48 Cb 1.16 -0.03 -0.12 0.00 -3.07 0.00 0.00 36.82 34.76 1w2q h ILE 48 CO 0.84 0.27 -0.68 -0.13 -0.69 0.00 0.00 178.15 177.76 1w2q s ARG 49 N -5.92 2.26 -0.20 2.37 0.52 -1.26 -5.11 118.95 111.61 1w2q s ARG 49 Ca -0.13 -1.23 -0.02 0.00 -0.52 0.00 0.00 55.73 53.83 1w2q s ARG 49 Cb 0.17 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1w2q s ARG 49 CO 0.82 0.43 -0.10 0.45 0.02 0.00 0.00 175.30 176.92 1w2q s SER 50 N -3.07 3.88 -0.02 0.23 0.15 -1.26 -5.09 113.70 108.52 1w2q s SER 50 Ca 0.27 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1w2q s SER 50 Cb -0.08 -1.64 0.01 0.00 -1.71 0.00 0.00 66.02 62.60 1w2q s SER 50 CO 0.18 0.00 -0.01 -0.89 1.20 0.00 0.00 173.24 173.72 1w2q s THR 51 N 1.33 0.17 -0.06 6.45 2.01 -1.26 -5.14 115.64 119.14 1w2q s THR 51 Ca 0.04 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.08 1w2q s THR 51 Cb -0.14 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.16 1w2q s THR 51 CO -0.06 0.10 -0.15 -0.13 -0.69 0.00 0.00 174.62 173.69 1w2q s ARG 52 N 0.52 1.84 0.00 4.92 0.52 -1.26 -4.99 118.95 120.49 1w2q s ARG 52 Ca -0.05 -0.53 0.22 0.00 -0.52 0.00 0.00 55.73 54.85 1w2q s ARG 52 Cb -0.08 -1.53 0.96 0.00 0.52 0.00 0.00 34.95 34.82 1w2q s ARG 52 CO -0.01 0.13 1.66 0.43 0.02 0.00 0.00 175.30 177.54 1w2q n SER 53 N 3.49 1.18 0.00 0.23 7.64 -1.26 -3.68 113.62 121.22 1w2q n SER 53 Ca -0.20 -1.56 0.10 0.00 1.01 0.00 0.00 58.87 58.21 1w2q n SER 53 Cb 0.52 -0.06 0.47 0.00 -1.01 0.00 0.00 64.21 64.14 1w2q n SER 53 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1w2q n SER 54 N -0.02 0.00 -0.17 6.43 3.41 -1.26 -3.44 113.62 118.57 1w2q n SER 54 Ca 0.17 0.31 0.29 0.00 -0.26 0.00 0.00 58.87 59.38 1w2q n SER 54 Cb 0.26 -0.42 0.61 0.00 -0.26 0.00 0.00 64.21 64.40 1w2q n SER 54 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1w2q h ASP 55 N 0.00 0.00 -0.14 4.04 3.32 -2.02 0.79 116.42 122.41 1w2q h ASP 55 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1w2q h ASP 55 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1w2q h ASP 55 CO 0.00 0.00 -0.47 1.56 -1.72 0.00 0.00 179.24 178.61 1w2q h GLN 56 N 0.00 0.56 -0.84 3.56 4.20 -1.90 -3.09 115.11 117.59 1w2q h GLN 56 Ca 0.44 -0.42 0.15 0.00 0.06 0.00 0.00 58.65 58.88 1w2q h GLN 56 Cb 2.33 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 30.12 1w2q h GLN 56 CO -0.00 1.04 0.55 1.96 -0.67 0.00 0.00 178.83 181.70 1w2q h GLN 57 N 0.19 0.57 -0.78 1.46 4.20 0.34 0.18 115.11 121.25 1w2q h GLN 57 Ca -0.02 -0.03 0.23 0.00 0.06 0.00 0.00 58.65 58.88 1w2q h GLN 57 Cb 1.09 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 1w2q h GLN 57 CO 0.10 0.38 0.63 1.96 -0.67 0.00 0.00 178.83 181.22 1w2q h GLN 58 N 0.59 0.00 -0.99 1.46 4.20 -1.43 0.19 115.11 119.13 1w2q h GLN 58 Ca 0.42 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.22 1w2q h GLN 58 Cb 0.77 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.48 1w2q h GLN 58 CO -0.17 0.00 0.63 -0.09 -0.67 0.00 0.00 178.83 178.52 1w2q h ARG 59 N 0.00 1.03 0.00 1.46 2.43 -0.78 -1.95 114.38 116.56 1w2q h ARG 59 Ca 0.37 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1w2q h ARG 59 Cb 1.62 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1w2q h ARG 59 CO -0.00 0.68 0.00 0.00 -1.51 0.00 0.00 179.97 179.14 1w2q h ASP 62 N 0.16 0.90 0.10 0.00 3.32 -0.10 0.41 116.42 121.20 1w2q h ASP 62 Ca 0.78 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.71 1w2q h ASP 62 Cb 2.25 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.57 1w2q h ASP 62 CO -0.47 0.79 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.46 1w2q h GLU 63 N 0.97 -0.13 0.00 3.56 4.39 1.40 -2.20 114.58 122.57 1w2q h GLU 63 Ca 0.23 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1w2q h GLU 63 Cb 0.16 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1w2q h GLU 63 CO -0.02 0.23 0.00 1.28 -1.16 0.00 0.00 179.01 179.34 1w2q n LEU 64 N -4.98 0.00 -0.01 1.33 4.32 -0.83 0.14 117.00 116.96 1w2q n LEU 64 Ca -0.09 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1w2q n LEU 64 Cb 0.22 -0.05 -0.12 0.00 -1.62 0.00 0.00 43.42 41.85 1w2q n LEU 64 CO 0.32 -0.03 -0.65 -3.20 -1.22 0.00 0.00 177.39 172.62 1w2q n ASN 65 N -1.05 0.40 0.00 -1.43 5.15 0.12 -2.49 115.26 115.96 1w2q n ASN 65 Ca 0.11 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 1w2q n ASN 65 Cb 0.07 0.86 0.00 0.00 -0.53 0.00 0.00 39.78 40.18 1w2q n ASN 65 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1w2q n GLU 66 N -2.69 3.11 0.00 1.20 1.02 -0.90 -4.51 120.64 117.87 1w2q n GLU 66 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1w2q n GLU 66 Cb 0.86 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 1w2q n GLU 66 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1w2q n MET 67 N -0.84 0.00 0.00 3.49 2.81 0.36 -4.22 117.12 118.72 1w2q n MET 67 Ca 0.00 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 1w2q n MET 67 Cb 0.00 -0.39 0.56 0.00 -0.71 0.00 0.00 33.22 32.69 1w2q n MET 67 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1w2q n GLU 68 N -0.42 0.73 -3.63 0.03 1.02 -1.25 -4.89 120.64 112.22 1w2q n GLU 68 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1w2q n GLU 68 Cb 0.00 -1.41 0.02 0.00 -0.02 0.00 0.00 31.44 30.03 1w2q n GLU 68 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1w2q n ASN 69 N -0.91 -5.57 -4.56 1.62 3.02 -1.26 -4.68 115.26 102.93 1w2q n ASN 69 Ca 0.14 -0.83 -0.21 0.00 -0.03 0.00 0.00 54.58 53.65 1w2q n ASN 69 Cb 0.07 -2.98 -0.06 0.00 -0.61 0.00 0.00 39.78 36.19 1w2q n ASN 69 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1w2q s THR 70 N -3.19 3.12 -1.24 3.41 -4.23 -1.04 -4.70 115.64 107.77 1w2q s THR 70 Ca 0.20 -0.07 0.29 0.00 -1.18 0.00 0.00 61.69 60.93 1w2q s THR 70 Cb -0.08 -3.28 0.35 0.00 1.34 0.00 0.00 72.50 70.83 1w2q s THR 70 CO 0.86 -0.26 1.91 0.00 -0.54 0.00 0.00 174.62 176.59 1w2q n GLN 71 N 8.88 0.25 -3.29 3.99 6.02 -1.26 -4.93 117.38 127.03 1w2q n GLN 71 Ca 0.42 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1w2q n GLN 71 Cb 0.46 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1w2q n GLN 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1w2q n GLY 72 N 1.40 -1.63 3.22 1.08 0.00 -1.26 -4.98 105.19 103.02 1w2q n GLY 72 Ca 0.10 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1w2q n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2q h MET 74 N 2.24 0.23 -0.64 0.00 2.86 -1.92 0.32 114.93 118.01 1w2q h MET 74 Ca 0.00 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 1w2q h MET 74 Cb 0.00 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.52 1w2q h MET 74 CO 0.00 0.15 0.16 0.00 1.06 0.00 0.00 176.91 178.28 1w2q h GLU 76 N 0.29 0.00 0.02 0.00 5.08 -0.76 0.26 114.58 119.47 1w2q h GLU 76 Ca 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1w2q h GLU 76 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1w2q h GLU 76 CO -0.41 0.03 -0.01 0.00 -1.00 0.00 0.00 179.01 177.62 1w2q h ALA 77 N 1.97 -0.02 -0.74 3.43 0.00 0.16 -2.59 119.26 121.46 1w2q h ALA 77 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1w2q h ALA 77 Cb 0.25 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1w2q h ALA 77 CO 0.00 -0.03 0.48 1.25 0.00 0.00 0.00 179.25 180.96 1w2q h LEU 78 N -0.99 0.82 -0.62 0.00 5.85 -0.76 -1.72 115.31 117.90 1w2q h LEU 78 Ca -0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1w2q h LEU 78 Cb 0.49 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1w2q h LEU 78 CO 0.00 0.59 0.32 1.56 -0.34 0.00 0.00 178.44 180.57 1w2q h GLN 79 N 0.97 0.58 -0.79 1.25 4.20 -1.05 -0.94 115.11 119.33 1w2q h GLN 79 Ca 0.28 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.02 1w2q h GLN 79 Cb -0.07 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.52 1w2q h GLN 79 CO -0.08 0.38 0.48 1.96 -0.67 0.00 0.00 178.83 180.90 1w2q h GLN 80 N 0.60 0.84 0.22 1.46 4.20 -0.91 -2.32 115.11 119.19 1w2q h GLN 80 Ca 0.28 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.95 1w2q h GLN 80 Cb 0.21 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1w2q h GLN 80 CO -0.20 0.55 -0.47 0.82 -0.67 0.00 0.00 178.83 178.86 1w2q h ILE 81 N 0.86 0.08 -0.64 2.54 2.04 -0.64 0.68 117.51 122.43 1w2q h ILE 81 Ca 0.35 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.34 1w2q h ILE 81 Cb 0.20 0.08 -0.12 0.00 -0.74 0.00 0.00 36.82 36.23 1w2q h ILE 81 CO -0.18 0.00 -0.19 0.24 0.00 0.00 0.00 178.15 178.01 1w2q h MET 82 N -0.78 -0.03 0.00 2.37 2.86 -1.11 1.82 114.93 120.06 1w2q h MET 82 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1w2q h MET 82 Cb 0.75 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1w2q h MET 82 CO -0.21 -0.02 0.00 0.93 1.06 0.00 0.00 176.91 178.67 1w2q h GLU 83 N -0.03 0.00 0.00 1.72 5.08 -0.81 0.68 114.58 121.21 1w2q h GLU 83 Ca 0.30 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1w2q h GLU 83 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1w2q h GLU 83 CO -0.67 0.00 -0.34 -0.97 -1.00 0.00 0.00 179.01 176.02 1w2q h ASN 84 N 0.00 0.00 0.00 1.42 -1.24 0.89 -3.39 115.58 113.26 1w2q h ASN 84 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 1w2q h ASN 84 Cb 0.34 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.25 1w2q h ASN 84 CO 0.00 0.34 -0.24 1.67 -1.29 0.00 0.00 177.43 177.91 1w2q n GLN 85 N -3.35 0.89 -0.00 6.67 -0.06 -0.69 -4.95 117.38 115.88 1w2q n GLN 85 Ca 0.01 -1.56 0.05 0.00 -2.00 0.00 0.00 57.00 53.51 1w2q n GLN 85 Cb 0.55 -0.26 -0.07 0.00 -4.06 0.00 0.00 30.24 26.40 1w2q n GLN 85 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1w2q h ASP 87 N 0.00 -1.33 -0.15 0.00 3.32 -1.86 1.52 116.42 117.91 1w2q h ASP 87 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1w2q h ASP 87 Cb 0.33 0.64 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1w2q h ASP 87 CO 0.00 -0.32 0.00 0.54 -1.72 0.00 0.00 179.24 177.74 1w2q n ARG 88 N -5.42 1.51 0.18 3.56 1.74 -1.26 -4.09 116.66 112.87 1w2q n ARG 88 Ca 0.04 -0.61 0.18 0.00 -0.77 0.00 0.00 57.85 56.69 1w2q n ARG 88 Cb 0.36 -1.28 0.74 0.00 -1.02 0.00 0.00 32.46 31.25 1w2q n ARG 88 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1w2q h LEU 89 N 0.92 0.00 -3.07 0.55 5.85 0.19 -3.46 115.31 116.30 1w2q h LEU 89 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1w2q h LEU 89 Cb 0.39 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.43 1w2q h LEU 89 CO 0.03 0.00 -1.00 0.00 -0.34 0.00 0.00 178.44 177.13 1w2q n GLN 90 N -3.35 -1.58 0.07 1.25 6.02 -1.26 -3.53 117.38 115.01 1w2q n GLN 90 Ca 0.04 1.49 0.06 0.00 -0.01 0.00 0.00 57.00 58.58 1w2q n GLN 90 Cb 0.58 -2.64 0.28 0.00 1.02 0.00 0.00 30.24 29.48 1w2q n GLN 90 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1w2q n ASP 91 N 0.59 0.26 -0.36 1.08 8.00 -1.26 -2.13 116.55 122.73 1w2q n ASP 91 Ca -0.01 0.61 0.26 0.00 0.71 0.00 0.00 54.79 56.36 1w2q n ASP 91 Cb 0.45 -0.65 0.52 0.00 -0.02 0.00 0.00 41.12 41.43 1w2q n ASP 91 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1w2q h ARG 92 N 0.00 0.31 0.00 -1.24 3.08 -1.99 -3.40 114.38 111.14 1w2q h ARG 92 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1w2q h ARG 92 Cb 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1w2q h ARG 92 CO 0.00 0.20 0.00 1.04 -1.07 0.00 0.00 179.97 180.14 1w2q n GLN 93 N -4.78 0.00 0.22 0.04 6.02 -1.08 -4.96 117.38 112.84 1w2q n GLN 93 Ca 0.30 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.13 1w2q n GLN 93 Cb 1.03 -0.03 -0.08 0.00 1.02 0.00 0.00 30.24 32.17 1w2q n GLN 93 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1w2q h MET 94 N 0.00 -0.78 -1.69 -1.09 4.05 -1.58 -0.39 114.93 113.45 1w2q h MET 94 Ca 0.00 0.05 0.49 0.00 -0.28 0.00 0.00 59.70 59.96 1w2q h MET 94 Cb 0.00 0.18 -0.07 0.00 -0.80 0.00 0.00 31.60 30.91 1w2q h MET 94 CO 0.00 -0.52 1.37 1.55 0.23 0.00 0.00 176.91 179.54 1w2q n VAL 95 N -5.50 0.00 0.00 -5.77 3.14 -1.20 -0.68 118.33 108.32 1w2q n VAL 95 Ca -0.10 1.42 0.00 0.00 -2.96 0.00 0.00 64.34 62.70 1w2q n VAL 95 Cb 0.41 -2.41 0.00 0.00 -1.06 0.00 0.00 33.84 30.77 1w2q n VAL 95 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1w2q n GLN 96 N -3.70 0.00 -0.32 1.45 6.02 -0.16 0.32 117.38 120.99 1w2q n GLN 96 Ca 0.38 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.57 1w2q n GLN 96 Cb 1.87 -0.71 0.39 0.00 1.02 0.00 0.00 30.24 32.82 1w2q n GLN 96 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1w2q h GLN 97 N 0.00 0.16 -0.07 -1.09 4.20 -1.41 0.73 115.11 117.63 1w2q h GLN 97 Ca 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1w2q h GLN 97 Cb 0.00 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1w2q h GLN 97 CO 0.00 0.10 0.03 0.35 -0.67 0.00 0.00 178.83 178.65 1w2q h PHE 98 N 0.16 0.09 -0.61 2.96 3.57 -0.98 0.66 116.94 122.80 1w2q h PHE 98 Ca 0.66 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.14 1w2q h PHE 98 Cb 1.49 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 1w2q h PHE 98 CO -0.20 0.17 0.28 -0.22 -2.23 0.00 0.00 178.31 176.12 1w2q h LYS 99 N -0.01 0.86 0.11 1.11 3.64 0.49 0.92 116.57 123.69 1w2q h LYS 99 Ca 0.02 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1w2q h LYS 99 Cb 0.11 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1w2q h LYS 99 CO -0.00 0.68 -0.05 0.00 -2.27 0.00 0.00 179.45 177.80 1w2q h ARG 100 N 0.86 -0.14 -0.60 1.90 3.08 0.62 -1.53 114.38 118.57 1w2q h ARG 100 Ca 0.21 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 1w2q h ARG 100 Cb 0.10 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1w2q h ARG 100 CO -0.03 0.26 0.23 1.49 -1.07 0.00 0.00 179.97 180.85 1w2q h GLU 101 N -0.59 0.87 -0.63 0.04 4.57 0.61 -2.23 114.58 117.22 1w2q h GLU 101 Ca -0.02 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1w2q h GLU 101 Cb 0.47 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 1w2q h GLU 101 CO 0.02 0.72 0.39 -0.07 -1.18 0.00 0.00 179.01 178.89 1w2q h LEU 102 N 0.86 0.63 -2.03 1.64 4.07 0.98 0.37 115.31 121.83 1w2q h LEU 102 Ca 0.20 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.28 1w2q h LEU 102 Cb 0.18 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1w2q h LEU 102 CO -0.02 0.44 0.31 0.24 -1.08 0.00 0.00 178.44 178.33 1w2q h MET 103 N 0.76 0.00 0.04 1.13 2.86 -0.64 0.51 114.93 119.59 1w2q h MET 103 Ca 0.25 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.64 1w2q h MET 103 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1w2q h MET 103 CO -0.10 0.00 -1.24 0.66 1.06 0.00 0.00 176.91 177.29 1w2q h SER 104 N 0.00 0.15 -0.81 1.22 4.64 -0.90 -3.33 113.55 114.52 1w2q h SER 104 Ca 0.19 -0.18 0.19 0.00 -0.47 0.00 0.00 61.79 61.52 1w2q h SER 104 Cb 0.81 -0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 62.71 1w2q h SER 104 CO -0.00 1.15 0.06 -0.07 -0.87 0.00 0.00 176.83 177.09 1w2q h LEU 105 N 0.03 -0.28 0.00 5.97 3.38 0.39 1.24 115.31 126.04 1w2q h LEU 105 Ca -0.11 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1w2q h LEU 105 Cb 1.89 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.98 1w2q h LEU 105 CO 0.14 -0.19 0.00 -0.81 0.09 0.00 0.00 178.44 177.67 1w2q n PRO 106 N -5.33 0.11 -0.04 1.13 -0.04 -1.23 -2.40 135.00 127.21 1w2q n PRO 106 Ca 0.16 0.23 -0.22 0.00 -0.04 0.00 0.00 63.50 63.63 1w2q n PRO 106 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 1w2q n PRO 106 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1w2q h GLN 107 N 0.00 0.17 -0.60 0.54 4.15 0.14 -1.20 115.11 118.30 1w2q h GLN 107 Ca 0.00 -0.28 0.17 0.00 0.77 0.00 0.00 58.65 59.31 1w2q h GLN 107 Cb 0.11 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1w2q h GLN 107 CO 0.00 1.14 0.62 1.96 -1.93 0.00 0.00 178.83 180.61 1w2q h GLN 108 N -0.35 0.00 0.00 1.69 4.20 -1.15 -3.39 115.11 116.11 1w2q h GLN 108 Ca -0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1w2q h GLN 108 Cb 1.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.53 1w2q h GLN 108 CO -0.03 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.13 1w2q n ASN 110 N -2.32 0.00 -0.34 0.00 6.94 -0.46 -5.01 115.26 114.08 1w2q n ASN 110 Ca 0.00 0.00 0.31 0.00 -0.02 0.00 0.00 54.58 54.87 1w2q n ASN 110 Cb 0.00 0.00 0.66 0.00 -2.36 0.00 0.00 39.78 38.08 1w2q n ASN 110 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 1w2q h PHE 111 N 0.00 0.26 -0.69 -2.53 0.04 -1.77 0.73 116.94 112.98 1w2q h PHE 111 Ca 0.00 0.01 0.16 0.00 2.80 0.00 0.00 57.97 60.94 1w2q h PHE 111 Cb 0.00 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 1w2q h PHE 111 CO 0.00 0.01 0.47 -0.09 -0.60 0.00 0.00 178.31 178.10 1w2q h ARG 112 N 0.14 0.24 -3.07 1.51 2.43 -1.92 -3.10 114.38 110.60 1w2q h ARG 112 Ca 0.60 -0.01 0.30 0.00 -0.81 0.00 0.00 59.98 60.05 1w2q h ARG 112 Cb 2.04 -0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 31.40 1w2q h ARG 112 CO -0.14 0.16 -0.92 0.00 -1.51 0.00 0.00 179.97 177.56 1w2q n ALA 113 N -2.58 -3.44 0.45 2.80 0.00 0.25 -4.21 120.51 113.78 1w2q n ALA 113 Ca 0.13 0.69 0.11 0.00 0.00 0.00 0.00 53.44 54.37 1w2q n ALA 113 Cb 0.59 -1.36 0.45 0.00 0.00 0.00 0.00 19.45 19.13 1w2q n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1w2q n PRO 114 N -4.04 0.16 -4.06 0.00 -0.04 -1.26 -4.72 135.00 121.04 1w2q n PRO 114 Ca -0.06 0.37 -0.31 0.00 -0.04 0.00 0.00 63.50 63.46 1w2q n PRO 114 Cb 0.62 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 1w2q n PRO 114 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1w2q s GLN 115 N -3.23 2.95 0.58 0.54 -0.21 -1.26 -5.11 119.66 113.92 1w2q s GLN 115 Ca 0.05 -0.63 -0.06 0.00 0.02 0.00 0.00 55.36 54.74 1w2q s GLN 115 Cb 0.10 -2.77 -0.00 0.00 1.00 0.00 0.00 33.01 31.33 1w2q s GLN 115 CO 0.38 0.59 0.90 0.50 -2.12 0.00 0.00 175.29 175.54 1w2q s ARG 116 N -2.24 3.07 -0.03 2.91 3.52 -1.26 -4.98 118.95 119.94 1w2q s ARG 116 Ca 0.28 0.12 0.02 0.00 -0.13 0.00 0.00 55.73 56.01 1w2q s ARG 116 Cb -0.12 -2.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.98 1w2q s ARG 116 CO 0.20 -0.62 -0.06 0.00 -0.81 0.00 0.00 175.30 174.01 1w2q s ASP 118 N -1.12 5.42 0.40 0.00 1.01 -1.26 -4.96 116.67 116.15 1w2q s ASP 118 Ca 0.15 -0.07 0.20 0.00 0.71 0.00 0.00 52.55 53.54 1w2q s ASP 118 Cb -0.11 -1.96 0.77 0.00 1.01 0.00 0.00 42.92 42.63 1w2q s ASP 118 CO 0.05 0.05 1.77 -0.07 0.21 0.00 0.00 175.17 177.18 1w2q h LEU 119 N 7.62 0.00 0.00 1.23 4.07 -1.99 -2.38 115.31 123.87 1w2q h LEU 119 Ca -0.37 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1w2q h LEU 119 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1w2q h LEU 119 CO 0.62 0.32 0.00 0.47 -1.08 0.00 0.00 178.44 178.77 1w2q n ASP 120 N -3.51 0.00 -0.34 -0.43 8.00 -1.26 -3.24 116.55 115.77 1w2q n ASP 120 Ca -0.00 0.27 0.05 0.00 0.71 0.00 0.00 54.79 55.82 1w2q n ASP 120 Cb 0.47 -0.41 0.23 0.00 -0.02 0.00 0.00 41.12 41.40 1w2q n ASP 120 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1w2q h VAL 121 N 0.00 1.01 -3.52 2.53 3.04 -1.84 -3.41 116.25 114.05 1w2q h VAL 121 Ca 0.00 -0.35 -0.66 0.00 -1.01 0.00 0.00 66.70 64.67 1w2q h VAL 121 Cb 0.28 -0.12 -0.17 0.00 -2.01 0.00 0.00 31.29 29.27 1w2q h VAL 121 CO 0.00 0.19 -0.77 -0.44 -1.01 0.00 0.00 177.57 175.53 1w2q s SER 122 N -5.86 4.03 0.43 3.17 0.01 -1.20 -5.00 113.70 109.28 1w2q s SER 122 Ca -0.12 -0.55 0.19 0.00 1.31 0.00 0.00 55.95 56.78 1w2q s SER 122 Cb 0.21 -0.62 1.12 0.00 0.21 0.00 0.00 66.02 66.94 1w2q s SER 122 CO 0.81 0.16 1.86 1.23 0.41 0.00 0.00 173.24 177.71 1w2q h GLY 123 N 3.51 0.79 -1.16 3.44 0.00 -1.86 -3.46 103.07 104.34 1w2q h GLY 123 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1w2q h GLY 123 CO 0.49 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.63 1w2q n GLY 124 N -1.53 0.85 0.33 4.60 0.00 -1.26 -4.94 105.19 103.24 1w2q n GLY 124 Ca 0.19 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.67 1w2q n GLY 124 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1w2q h ARG 125 N 0.00 0.47 0.00 1.61 3.08 -2.01 0.11 114.38 117.64 1w2q h ARG 125 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1w2q h ARG 125 Cb 0.95 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1w2q h ARG 125 CO 0.00 0.31 0.05 0.00 -1.07 0.00 0.00 179.97 179.26