#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2q s PRO 2 N 0.00 3.96 0.24 1.61 0.04 -1.26 -5.06 135.00 134.54 1w2q s PRO 2 Ca 0.00 1.84 0.07 0.00 0.04 0.00 0.00 61.00 62.95 1w2q s PRO 2 Cb 0.00 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 1w2q s PRO 2 CO 0.00 -0.40 -0.09 -1.64 0.04 0.00 0.00 177.00 174.91 1w2q s MET 3 N -2.41 1.43 0.48 4.56 -1.94 -1.26 -5.02 119.30 115.14 1w2q s MET 3 Ca 0.59 -1.69 0.13 0.00 -1.71 0.00 0.00 55.69 53.02 1w2q s MET 3 Cb -0.31 -1.09 1.12 0.00 2.01 0.00 0.00 34.83 36.57 1w2q s MET 3 CO 0.38 0.09 2.10 0.00 -0.01 0.00 0.00 175.02 177.58 1w2q h ARG 4 N 2.42 0.21 -6.34 2.03 2.47 -1.97 -3.42 114.38 109.79 1w2q h ARG 4 Ca -0.39 -0.01 -0.60 0.00 -1.26 0.00 0.00 59.98 57.72 1w2q h ARG 4 Cb 1.23 -0.05 -0.13 0.00 -1.65 0.00 0.00 29.97 29.37 1w2q h ARG 4 CO 0.65 0.14 -0.71 1.03 0.56 0.00 0.00 179.97 181.63 1w2q s ARG 5 N -5.23 2.03 0.45 0.04 0.52 -1.26 -5.01 118.95 110.50 1w2q s ARG 5 Ca -0.06 -1.42 0.13 0.00 -0.52 0.00 0.00 55.73 53.85 1w2q s ARG 5 Cb 0.17 -2.07 1.03 0.00 0.52 0.00 0.00 34.95 34.60 1w2q s ARG 5 CO 0.70 0.39 2.04 0.93 0.02 0.00 0.00 175.30 179.38 1w2q h GLU 6 N 2.48 0.14 -6.53 3.54 5.08 -2.03 -3.41 114.58 113.84 1w2q h GLU 6 Ca -0.45 -0.02 -0.68 0.00 -1.00 0.00 0.00 59.36 57.21 1w2q h GLU 6 Cb 1.23 -0.03 -0.21 0.00 0.50 0.00 0.00 28.75 30.24 1w2q h GLU 6 CO 0.57 0.19 -0.79 1.03 -1.00 0.00 0.00 179.01 179.01 1w2q s ARG 7 N -4.96 2.14 0.19 2.33 0.52 -1.26 -4.99 118.95 112.92 1w2q s ARG 7 Ca -0.05 -0.94 -0.01 0.00 -0.52 0.00 0.00 55.73 54.20 1w2q s ARG 7 Cb 0.16 -2.23 0.04 0.00 0.52 0.00 0.00 34.95 33.44 1w2q s ARG 7 CO 0.70 0.55 0.25 0.41 0.02 0.00 0.00 175.30 177.23 1w2q n GLY 8 N 1.56 0.01 3.19 -3.53 0.00 -1.26 -4.99 105.19 100.15 1w2q n GLY 8 Ca -0.16 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 1w2q n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2q s ARG 9 N -3.24 1.60 0.46 1.61 0.52 -1.26 -5.01 118.95 113.63 1w2q s ARG 9 Ca 0.16 -0.68 0.13 0.00 -0.52 0.00 0.00 55.73 54.82 1w2q s ARG 9 Cb -0.01 -1.52 1.06 0.00 0.52 0.00 0.00 34.95 35.01 1w2q s ARG 9 CO 0.11 0.38 2.05 1.96 0.02 0.00 0.00 175.30 179.82 1w2q h GLN 10 N 5.76 0.31 0.00 3.54 4.20 -1.99 -3.46 115.11 123.48 1w2q h GLN 10 Ca -0.37 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.37 1w2q h GLN 10 Cb 1.15 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1w2q h GLN 10 CO 0.48 0.21 0.15 0.41 -0.67 0.00 0.00 178.83 179.41 1w2q n GLY 11 N -1.52 1.03 0.36 3.46 0.00 -1.26 -5.00 105.19 102.26 1w2q n GLY 11 Ca 0.04 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 45.21 1w2q n GLY 11 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1w2q h ASP 12 N 0.45 0.50 -5.23 1.61 3.32 -2.05 -3.43 116.42 111.59 1w2q h ASP 12 Ca -0.06 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 1w2q h ASP 12 Cb 0.27 -0.09 -0.14 0.00 0.22 0.00 0.00 39.33 39.59 1w2q h ASP 12 CO 0.08 0.30 -0.51 -0.94 -1.72 0.00 0.00 179.24 176.45 1w2q s SER 13 N -6.13 0.27 0.21 6.45 1.04 -1.26 -5.17 113.70 109.11 1w2q s SER 13 Ca -0.09 -0.87 0.09 0.00 0.48 0.00 0.00 55.95 55.57 1w2q s SER 13 Cb 0.20 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1w2q s SER 13 CO 0.76 -0.70 -0.05 -0.94 0.98 0.00 0.00 173.24 173.29 1w2q s SER 14 N -2.92 4.41 0.46 7.02 1.04 -1.26 -4.93 113.70 117.52 1w2q s SER 14 Ca 0.09 -0.59 0.24 0.00 0.48 0.00 0.00 55.95 56.17 1w2q s SER 14 Cb 0.06 -0.80 1.09 0.00 0.10 0.00 0.00 66.02 66.47 1w2q s SER 14 CO -0.08 0.06 1.91 0.28 0.98 0.00 0.00 173.24 176.39 1w2q h SER 15 N 2.48 0.00 0.46 7.02 0.02 -2.01 -2.65 113.55 118.87 1w2q h SER 15 Ca -0.46 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.31 1w2q h SER 15 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1w2q h SER 15 CO 0.57 0.21 -0.79 0.00 -1.14 0.00 0.00 176.83 175.69 1w2q h GLU 17 N 0.16 0.00 0.00 0.00 4.81 -1.88 -0.78 114.58 116.89 1w2q h GLU 17 Ca -0.03 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 1w2q h GLU 17 Cb 1.37 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.72 1w2q h GLU 17 CO 0.12 0.02 -1.24 0.00 -0.73 0.00 0.00 179.01 177.19 1w2q h ARG 18 N 0.00 0.00 0.00 1.92 3.08 -1.56 -3.25 114.38 114.57 1w2q h ARG 18 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1w2q h ARG 18 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1w2q h ARG 18 CO 0.00 0.60 -0.13 1.96 -1.07 0.00 0.00 179.97 181.33 1w2q h GLN 19 N 0.00 0.00 0.01 0.04 4.20 -1.12 -3.20 115.11 115.04 1w2q h GLN 19 Ca -0.13 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.38 1w2q h GLN 19 Cb 1.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.51 1w2q h GLN 19 CO 0.08 0.13 -0.89 -0.24 -0.67 0.00 0.00 178.83 177.25 1w2q h VAL 20 N 0.00 1.51 0.00 -0.54 3.04 -1.36 -3.00 116.25 115.91 1w2q h VAL 20 Ca -0.00 -2.69 0.00 0.00 -1.01 0.00 0.00 66.70 63.00 1w2q h VAL 20 Cb 1.09 2.51 0.00 0.00 -2.01 0.00 0.00 31.29 32.88 1w2q h VAL 20 CO 0.02 0.78 0.00 0.44 -1.01 0.00 0.00 177.57 177.80 1w2q h ASP 21 N 0.09 0.00 0.75 3.17 3.32 -1.59 -0.14 116.42 122.02 1w2q h ASP 21 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1w2q h ASP 21 Cb 1.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1w2q h ASP 21 CO 0.13 0.00 -0.65 0.54 -1.72 0.00 0.00 179.24 177.55 1w2q n ARG 22 N -2.89 0.24 -1.86 3.56 1.74 -1.13 -4.17 116.66 112.14 1w2q n ARG 22 Ca -0.01 0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.77 1w2q n ARG 22 Cb 0.14 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 1w2q n ARG 22 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1w2q n VAL 23 N -1.98 4.11 -2.91 1.55 3.14 -0.07 -4.95 118.33 117.22 1w2q n VAL 23 Ca 0.04 -4.01 -0.41 0.00 -2.96 0.00 0.00 64.34 56.99 1w2q n VAL 23 Cb 0.42 -1.56 -0.04 0.00 -1.06 0.00 0.00 33.84 31.59 1w2q n VAL 23 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1w2q s ASN 24 N -0.30 6.92 -0.55 6.55 0.02 -1.26 -4.90 114.94 121.43 1w2q s ASN 24 Ca 0.53 1.14 0.05 0.00 -1.02 0.00 0.00 52.86 53.56 1w2q s ASN 24 Cb 0.34 -2.44 0.19 0.00 0.02 0.00 0.00 41.25 39.36 1w2q s ASN 24 CO -0.25 -0.39 0.47 0.18 0.02 0.00 0.00 177.10 177.13 1w2q n LEU 25 N 5.25 1.42 -0.27 0.60 7.99 -1.26 -4.94 117.00 125.79 1w2q n LEU 25 Ca 0.04 -4.85 -0.05 0.00 -0.01 0.00 0.00 56.01 51.13 1w2q n LEU 25 Cb 0.49 -0.07 0.08 0.00 -0.11 0.00 0.00 43.42 43.81 1w2q n LEU 25 CO 0.48 1.87 1.04 0.11 -1.51 0.00 0.00 177.39 179.38 1w2q h LYS 26 N 5.16 1.15 0.00 3.23 1.57 -1.99 -2.56 116.57 123.14 1w2q h LYS 26 Ca 0.19 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1w2q h LYS 26 Cb 0.82 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1w2q h LYS 26 CO 0.57 0.94 -0.22 -1.00 -0.57 0.00 0.00 179.45 179.16 1w2q h PRO 27 N 1.12 0.00 0.06 3.15 0.13 -1.95 0.01 132.00 134.52 1w2q h PRO 27 Ca 0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1w2q h PRO 27 Cb 0.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.36 1w2q h PRO 27 CO -0.02 0.22 -0.03 0.00 -0.23 0.00 0.00 178.00 177.94 1w2q h GLU 29 N -0.82 1.10 0.00 0.00 4.81 -1.44 -1.42 114.58 116.81 1w2q h GLU 29 Ca -0.01 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1w2q h GLU 29 Cb 0.63 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1w2q h GLU 29 CO 0.01 0.91 -0.10 0.37 -0.73 0.00 0.00 179.01 179.47 1w2q h GLN 30 N 1.06 0.00 -0.20 1.92 4.15 -1.05 -1.87 115.11 119.13 1w2q h GLN 30 Ca 0.24 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.50 1w2q h GLN 30 Cb 0.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1w2q h GLN 30 CO -0.02 0.10 -0.50 1.25 -1.93 0.00 0.00 178.83 177.73 1w2q h HIS 31 N 0.00 0.89 -0.31 3.99 -0.00 -0.06 -2.36 115.15 117.31 1w2q h HIS 31 Ca -0.00 -0.34 -0.17 0.00 -0.00 0.00 0.00 60.37 59.85 1w2q h HIS 31 Cb 0.51 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.76 1w2q h HIS 31 CO 0.00 1.13 -0.49 0.82 -0.00 0.00 0.00 177.93 179.39 1w2q h ILE 32 N 0.40 1.28 -0.93 6.26 2.04 -1.16 -2.55 117.51 122.84 1w2q h ILE 32 Ca -0.01 -1.67 0.02 0.00 1.00 0.00 0.00 64.86 64.20 1w2q h ILE 32 Cb 1.11 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.70 1w2q h ILE 32 CO 0.11 0.55 0.61 0.24 0.00 0.00 0.00 178.15 179.66 1w2q h MET 33 N 0.68 1.19 -0.08 2.37 2.86 -1.32 -2.29 114.93 118.33 1w2q h MET 33 Ca 0.03 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1w2q h MET 33 Cb 1.09 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 1w2q h MET 33 CO 0.11 0.79 -0.02 1.96 1.06 0.00 0.00 176.91 180.80 1w2q h GLN 34 N 1.22 0.16 0.17 1.72 4.20 -1.32 -2.96 115.11 118.29 1w2q h GLN 34 Ca 0.35 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 59.01 1w2q h GLN 34 Cb -0.08 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1w2q h GLN 34 CO -0.10 0.49 -0.52 0.00 -0.67 0.00 0.00 178.83 178.04 1w2q h ARG 35 N -0.18 -0.75 -0.74 1.46 3.08 -1.17 0.13 114.38 116.22 1w2q h ARG 35 Ca 0.02 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.34 1w2q h ARG 35 Cb 0.44 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1w2q h ARG 35 CO 0.01 -0.50 0.69 -0.84 -1.07 0.00 0.00 179.97 178.26 1w2q h ILE 36 N -0.78 0.33 -1.26 2.04 3.07 -1.47 -0.18 117.51 119.26 1w2q h ILE 36 Ca -0.01 0.00 0.37 0.00 1.55 0.00 0.00 64.86 66.77 1w2q h ILE 36 Cb 0.77 0.47 -0.05 0.00 -0.27 0.00 0.00 36.82 37.74 1w2q h ILE 36 CO -0.26 0.00 1.11 0.24 -1.05 0.00 0.00 178.15 178.19 1w2q h MET 37 N 0.00 0.00 0.00 0.16 2.86 -0.55 -3.44 114.93 113.96 1w2q h MET 37 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1w2q h MET 37 Cb 1.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.39 1w2q h MET 37 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1w2q n GLY 38 N -1.76 1.95 0.30 8.32 0.00 -0.08 -4.33 105.19 109.59 1w2q n GLY 38 Ca 0.28 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.42 1w2q n GLY 38 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1w2q h GLU 39 N 0.00 0.00 -0.79 1.61 4.81 -1.86 -1.17 114.58 117.18 1w2q h GLU 39 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1w2q h GLU 39 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1w2q h GLU 39 CO 0.00 0.00 0.52 0.37 -0.73 0.00 0.00 179.01 179.17 1w2q h GLN 40 N 0.00 0.96 -5.69 1.92 5.75 -1.81 -3.40 115.11 112.84 1w2q h GLN 40 Ca 0.01 -0.06 -0.67 0.00 -0.15 0.00 0.00 58.65 57.79 1w2q h GLN 40 Cb 0.07 -0.22 -0.24 0.00 1.07 0.00 0.00 27.48 28.17 1w2q h GLN 40 CO -0.00 0.63 -0.74 -1.21 -2.65 0.00 0.00 178.83 174.87 1w2q s GLU 41 N -5.84 3.12 0.26 1.69 0.41 -0.44 -5.00 118.70 112.90 1w2q s GLU 41 Ca -0.11 -0.64 -0.02 0.00 -0.41 0.00 0.00 54.97 53.80 1w2q s GLU 41 Cb 0.18 -2.61 0.34 0.00 -1.78 0.00 0.00 34.13 30.26 1w2q s GLU 41 CO 0.78 0.39 1.77 1.96 -0.49 0.00 0.00 175.26 179.67 1w2q h GLN 42 N 6.13 0.80 -6.45 1.61 4.20 -1.78 -3.42 115.11 116.19 1w2q h GLN 42 Ca -0.35 -0.21 -0.70 0.00 0.06 0.00 0.00 58.65 57.45 1w2q h GLN 42 Cb 1.19 -0.10 -0.29 0.00 0.30 0.00 0.00 27.48 28.58 1w2q h GLN 42 CO 0.55 0.79 -0.87 0.71 -0.67 0.00 0.00 178.83 179.34 1w2q s TYR 43 N -5.01 2.40 0.34 2.96 2.02 -1.26 -5.01 117.35 113.78 1w2q s TYR 43 Ca -0.09 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 1w2q s TYR 43 Cb 0.15 -1.54 0.60 0.00 -0.40 0.00 0.00 41.96 40.77 1w2q s TYR 43 CO 0.81 -0.05 1.93 -0.44 -1.57 0.00 0.00 175.55 176.23 1w2q h ASP 44 N 5.59 0.63 -2.39 2.29 3.32 -1.93 -3.42 116.42 120.50 1w2q h ASP 44 Ca -0.41 -0.07 -0.58 0.00 0.02 0.00 0.00 57.03 55.99 1w2q h ASP 44 Cb 1.14 -0.16 -0.11 0.00 0.22 0.00 0.00 39.33 40.42 1w2q h ASP 44 CO 0.47 0.57 -0.67 -0.94 -1.72 0.00 0.00 179.24 176.96 1w2q s SER 45 N -6.62 4.45 0.17 6.45 1.04 -1.26 -5.13 113.70 112.80 1w2q s SER 45 Ca -0.09 -0.64 0.08 0.00 0.48 0.00 0.00 55.95 55.78 1w2q s SER 45 Cb 0.16 -0.80 -0.04 0.00 0.10 0.00 0.00 66.02 65.44 1w2q s SER 45 CO 0.77 0.03 -0.16 -0.72 0.98 0.00 0.00 173.24 174.14 1w2q s TYR 46 N -2.18 1.68 -1.74 5.02 -0.85 -1.26 -5.03 117.35 112.99 1w2q s TYR 46 Ca 0.30 -0.53 0.19 0.00 -0.52 0.00 0.00 57.07 56.51 1w2q s TYR 46 Cb -0.07 -0.82 0.53 0.00 0.38 0.00 0.00 41.96 41.98 1w2q s TYR 46 CO 0.19 0.30 1.44 -0.25 -1.52 0.00 0.00 175.55 175.71 1w2q n ASP 47 N 0.08 3.62 -4.84 -0.18 8.00 -1.26 -4.93 116.55 117.04 1w2q n ASP 47 Ca -0.12 -1.99 -0.36 0.00 0.71 0.00 0.00 54.79 53.03 1w2q n ASP 47 Cb 0.58 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 41.22 1w2q n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1w2q s ILE 48 N -1.04 5.22 0.42 0.53 1.01 -1.26 -4.97 121.20 121.10 1w2q s ILE 48 Ca 0.41 0.05 0.16 0.00 0.00 0.00 0.00 60.65 61.27 1w2q s ILE 48 Cb 0.22 -3.28 0.36 0.00 0.01 0.00 0.00 42.46 39.77 1w2q s ILE 48 CO 0.28 0.58 1.90 0.03 0.00 0.00 0.00 174.94 177.73 1w2q h ARG 49 N 4.87 0.42 -4.73 2.79 3.08 -2.07 -3.42 114.38 115.32 1w2q h ARG 49 Ca -0.53 -0.03 -0.25 0.00 0.07 0.00 0.00 59.98 59.24 1w2q h ARG 49 Cb 1.22 -0.09 -0.16 0.00 0.08 0.00 0.00 29.97 31.01 1w2q h ARG 49 CO 0.58 0.28 -0.71 -1.54 -1.07 0.00 0.00 179.97 177.51 1w2q s SER 50 N -5.84 1.21 0.26 7.04 1.04 -1.26 -5.15 113.70 111.00 1w2q s SER 50 Ca -0.08 -0.92 0.08 0.00 0.48 0.00 0.00 55.95 55.52 1w2q s SER 50 Cb 0.22 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 1w2q s SER 50 CO 0.77 -0.39 -0.12 0.42 0.98 0.00 0.00 173.24 174.91 1w2q s THR 51 N -3.11 1.88 0.20 2.02 -4.23 -1.26 -5.00 115.64 106.14 1w2q s THR 51 Ca 0.08 -2.21 -0.10 0.00 -1.18 0.00 0.00 61.69 58.28 1w2q s THR 51 Cb 0.02 -2.31 0.15 0.00 1.34 0.00 0.00 72.50 71.70 1w2q s THR 51 CO -0.03 -0.41 1.72 0.03 -0.54 0.00 0.00 174.62 175.39 1w2q h ARG 52 N 2.35 0.29 -0.59 3.99 3.08 -2.01 0.11 114.38 121.60 1w2q h ARG 52 Ca -0.40 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1w2q h ARG 52 Cb 1.24 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 1w2q h ARG 52 CO 0.65 0.19 0.38 1.03 -1.07 0.00 0.00 179.97 181.15 1w2q h SER 53 N 0.30 0.69 0.27 7.04 0.87 -1.97 -0.22 113.55 120.53 1w2q h SER 53 Ca 0.30 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1w2q h SER 53 Cb 0.41 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1w2q h SER 53 CO -0.35 0.51 -0.10 0.77 -0.53 0.00 0.00 176.83 177.12 1w2q h SER 54 N 0.81 0.00 -0.49 6.23 4.64 -1.18 -1.99 113.55 121.57 1w2q h SER 54 Ca 0.22 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.68 1w2q h SER 54 Cb -0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1w2q h SER 54 CO -0.04 0.10 0.40 0.44 -0.87 0.00 0.00 176.83 176.86 1w2q h ASP 55 N 0.00 0.00 -0.16 4.97 3.32 -0.46 0.11 116.42 124.20 1w2q h ASP 55 Ca -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1w2q h ASP 55 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1w2q h ASP 55 CO 0.01 0.00 -0.49 1.56 -1.72 0.00 0.00 179.24 178.61 1w2q h GLN 56 N 0.00 0.61 -0.15 3.56 4.20 -1.49 -3.06 115.11 118.78 1w2q h GLN 56 Ca 0.23 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 1w2q h GLN 56 Cb 1.03 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1w2q h GLN 56 CO -0.00 1.06 -0.04 1.96 -0.67 0.00 0.00 178.83 181.14 1w2q h GLN 57 N 0.27 0.23 -0.76 1.46 1.08 -1.12 -1.62 115.11 114.64 1w2q h GLN 57 Ca -0.02 -0.04 0.22 0.00 -1.45 0.00 0.00 58.65 57.37 1w2q h GLN 57 Cb 1.11 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.47 1w2q h GLN 57 CO 0.10 0.29 0.58 1.96 -0.95 0.00 0.00 178.83 180.82 1w2q h GLN 58 N 0.22 0.00 0.16 1.46 4.20 -1.28 -2.03 115.11 117.84 1w2q h GLN 58 Ca 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1w2q h GLN 58 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1w2q h GLN 58 CO 0.01 0.00 -0.07 0.00 -0.67 0.00 0.00 178.83 178.09 1w2q h ARG 59 N 0.00 -0.20 -0.20 1.46 3.08 -1.41 0.35 114.38 117.46 1w2q h ARG 59 Ca 0.36 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.45 1w2q h ARG 59 Cb 1.53 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.59 1w2q h ARG 59 CO -0.00 -0.13 -0.22 0.00 -1.07 0.00 0.00 179.97 178.54 1w2q h ASP 62 N 0.51 0.67 -0.11 0.00 3.32 0.40 0.01 116.42 121.22 1w2q h ASP 62 Ca 0.61 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.73 1w2q h ASP 62 Cb 1.16 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1w2q h ASP 62 CO -0.50 0.29 -0.00 -0.33 -1.72 0.00 0.00 179.24 176.99 1w2q h GLU 63 N 0.73 0.20 0.00 3.56 4.39 0.14 -1.77 114.58 121.83 1w2q h GLU 63 Ca 0.49 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1w2q h GLU 63 Cb 0.66 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1w2q h GLU 63 CO -0.34 0.45 0.06 -0.07 -1.16 0.00 0.00 179.01 177.95 1w2q h LEU 64 N -0.07 0.00 -0.86 1.33 3.38 -0.55 0.19 115.31 118.73 1w2q h LEU 64 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1w2q h LEU 64 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1w2q h LEU 64 CO 0.01 0.00 -0.23 -1.13 0.09 0.00 0.00 178.44 177.18 1w2q h ASN 65 N 0.00 0.59 0.16 -0.43 -0.73 -0.13 -3.14 115.58 111.91 1w2q h ASN 65 Ca 0.00 -0.20 -0.26 0.00 1.87 0.00 0.00 56.30 57.70 1w2q h ASN 65 Cb 0.12 -0.16 0.01 0.00 0.27 0.00 0.00 38.32 38.56 1w2q h ASN 65 CO 0.00 0.82 -1.26 -0.08 -0.37 0.00 0.00 177.43 176.54 1w2q h GLU 66 N 0.52 0.33 -2.16 6.67 4.81 -1.03 -3.33 114.58 120.39 1w2q h GLU 66 Ca 0.08 -0.57 -0.28 0.00 -0.13 0.00 0.00 59.36 58.45 1w2q h GLU 66 Cb 0.68 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.21 1w2q h GLU 66 CO 0.05 1.27 0.34 -1.33 -0.73 0.00 0.00 179.01 178.61 1w2q n MET 67 N -3.92 2.31 0.05 1.92 2.81 -1.04 -4.59 117.12 114.66 1w2q n MET 67 Ca -0.20 -1.27 0.20 0.00 -1.81 0.00 0.00 57.70 54.62 1w2q n MET 67 Cb 0.93 -2.14 0.56 0.00 -0.71 0.00 0.00 33.22 31.87 1w2q n MET 67 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1w2q h GLU 68 N 3.33 0.00 -0.65 0.03 4.57 -1.68 1.91 114.58 122.10 1w2q h GLU 68 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1w2q h GLU 68 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1w2q h GLU 68 CO 0.52 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.44 1w2q n ASN 69 N -3.28 2.55 -3.91 1.04 3.02 -1.26 -4.65 115.26 108.77 1w2q n ASN 69 Ca 0.11 -2.26 -0.42 0.00 -0.03 0.00 0.00 54.58 51.98 1w2q n ASN 69 Cb 0.94 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1w2q n ASN 69 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1w2q n THR 70 N 0.32 3.56 -4.35 3.41 5.66 0.65 -4.90 114.28 118.62 1w2q n THR 70 Ca 0.11 -3.25 -0.21 0.00 -3.05 0.00 0.00 64.05 57.66 1w2q n THR 70 Cb 0.52 -2.55 -0.11 0.00 -1.55 0.00 0.00 70.33 66.64 1w2q n THR 70 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1w2q s GLN 71 N 3.39 1.34 0.00 1.09 -0.21 -1.26 -4.59 119.66 119.41 1w2q s GLN 71 Ca 0.48 -1.51 0.00 0.00 0.02 0.00 0.00 55.36 54.35 1w2q s GLN 71 Cb 0.12 -1.31 0.00 0.00 1.00 0.00 0.00 33.01 32.82 1w2q s GLN 71 CO -0.05 0.25 0.00 0.41 -2.12 0.00 0.00 175.29 173.77 1w2q n GLY 72 N -0.04 2.12 0.02 3.09 0.00 -1.26 -4.42 105.19 104.69 1w2q n GLY 72 Ca -0.10 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -0.04 -0.59 0.00 2.07 -1.81 0.47 114.93 115.02 1w2q h MET 74 Ca 0.00 0.00 0.12 0.00 -2.07 0.00 0.00 59.70 57.75 1w2q h MET 74 Cb 0.14 0.01 -0.10 0.00 -1.87 0.00 0.00 31.60 29.79 1w2q h MET 74 CO 0.00 -0.03 0.03 0.00 1.07 0.00 0.00 176.91 177.98 1w2q h GLU 76 N 0.14 0.00 0.05 0.00 5.08 -0.33 -1.08 114.58 118.44 1w2q h GLU 76 Ca 0.31 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1w2q h GLU 76 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1w2q h GLU 76 CO -0.49 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 177.50 1w2q h ALA 77 N 2.01 -0.07 -0.76 3.43 0.00 0.22 -2.42 119.26 121.67 1w2q h ALA 77 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1w2q h ALA 77 Cb 0.08 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1w2q h ALA 77 CO 0.00 -0.11 0.43 1.25 0.00 0.00 0.00 179.25 180.82 1w2q h LEU 78 N -0.93 0.94 -1.03 0.00 7.12 -0.97 -1.87 115.31 118.57 1w2q h LEU 78 Ca -0.01 -0.09 0.04 0.00 0.13 0.00 0.00 57.88 57.95 1w2q h LEU 78 Cb 0.61 -0.24 -0.06 0.00 -0.53 0.00 0.00 40.66 40.44 1w2q h LEU 78 CO 0.01 0.75 0.65 1.56 -0.13 0.00 0.00 178.44 181.28 1w2q h GLN 79 N 1.05 1.21 -0.38 1.25 4.20 -1.30 -1.85 115.11 119.29 1w2q h GLN 79 Ca 0.27 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.92 1w2q h GLN 79 Cb 0.01 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1w2q h GLN 79 CO -0.05 0.80 0.23 0.37 -0.67 0.00 0.00 178.83 179.52 1w2q h GLN 80 N 1.25 0.46 0.16 1.46 4.15 -0.82 -0.23 115.11 121.54 1w2q h GLN 80 Ca 0.39 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.79 1w2q h GLN 80 Cb 0.00 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 1w2q h GLN 80 CO -0.12 0.30 -0.45 0.82 -1.93 0.00 0.00 178.83 177.45 1w2q h ILE 81 N 0.47 0.00 -0.55 2.39 2.04 -0.94 1.70 117.51 122.62 1w2q h ILE 81 Ca 0.15 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.12 1w2q h ILE 81 Cb -0.02 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 35.97 1w2q h ILE 81 CO -0.06 0.00 -0.00 0.24 0.00 0.00 0.00 178.15 178.33 1w2q h MET 82 N -0.68 0.11 0.00 2.37 2.86 -1.29 1.24 114.93 119.53 1w2q h MET 82 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1w2q h MET 82 Cb 0.67 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1w2q h MET 82 CO -0.22 0.07 0.00 0.39 1.06 0.00 0.00 176.91 178.22 1w2q n GLU 83 N -5.25 0.02 0.08 1.72 -0.58 -0.11 -0.25 120.64 116.27 1w2q n GLU 83 Ca 0.07 0.25 -0.02 0.00 -0.42 0.00 0.00 57.16 57.03 1w2q n GLU 83 Cb 0.30 -1.53 -0.06 0.00 -0.57 0.00 0.00 31.44 29.59 1w2q n GLU 83 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1w2q h ASN 84 N 0.00 0.00 -0.32 1.62 -1.24 1.22 -3.40 115.58 113.46 1w2q h ASN 84 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.76 1w2q h ASN 84 Cb 0.28 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 39.08 1w2q h ASN 84 CO 0.00 0.74 -0.65 1.67 -1.29 0.00 0.00 177.43 177.90 1w2q n GLN 85 N -3.22 1.28 -0.00 6.67 -0.06 -0.78 -4.90 117.38 116.36 1w2q n GLN 85 Ca -0.01 -2.29 0.05 0.00 -2.00 0.00 0.00 57.00 52.75 1w2q n GLN 85 Cb 0.85 -0.46 -0.07 0.00 -4.06 0.00 0.00 30.24 26.50 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 -0.85 -1.42 0.00 3.32 -1.80 0.45 116.42 116.11 1w2q h ASP 87 Ca 0.00 0.26 -0.70 0.00 0.02 0.00 0.00 57.03 56.61 1w2q h ASP 87 Cb 0.38 0.55 -0.30 0.00 0.22 0.00 0.00 39.33 40.18 1w2q h ASP 87 CO 0.00 -0.28 0.75 0.54 -1.72 0.00 0.00 179.24 178.53 1w2q n ARG 88 N -5.54 2.82 -0.05 3.56 1.74 -1.26 -4.72 116.66 113.21 1w2q n ARG 88 Ca 0.12 -3.51 0.24 0.00 -0.77 0.00 0.00 57.85 53.92 1w2q n ARG 88 Cb 0.42 -2.28 0.56 0.00 -1.02 0.00 0.00 32.46 30.15 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 2.45 0.00 -2.39 0.55 6.46 -0.35 -3.46 115.31 118.58 1w2q h LEU 89 Ca 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.32 1w2q h LEU 89 Cb 0.55 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 1w2q h LEU 89 CO 1.44 0.00 -0.77 1.67 -0.62 0.00 0.00 178.44 180.16 1w2q n GLN 90 N -3.38 -2.42 0.11 1.25 7.27 -1.26 -3.84 117.38 115.11 1w2q n GLN 90 Ca 0.15 2.05 0.16 0.00 0.07 0.00 0.00 57.00 59.43 1w2q n GLN 90 Cb 1.11 -3.01 0.44 0.00 2.41 0.00 0.00 30.24 31.19 1w2q n GLN 90 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1w2q h ASP 91 N 2.10 0.00 -1.78 1.69 3.32 -1.99 -3.24 116.42 116.52 1w2q h ASP 91 Ca -0.25 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.64 1w2q h ASP 91 Cb 0.55 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.20 1w2q h ASP 91 CO 0.00 0.00 -0.18 0.54 -1.72 0.00 0.00 179.24 177.89 1w2q n ARG 92 N -3.05 -1.92 -0.39 3.56 1.74 -1.26 -4.52 116.66 110.82 1w2q n ARG 92 Ca 0.09 -0.57 0.32 0.00 -0.77 0.00 0.00 57.85 56.92 1w2q n ARG 92 Cb 0.99 -1.38 0.63 0.00 -1.02 0.00 0.00 32.46 31.68 1w2q n ARG 92 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1w2q h GLN 93 N -2.61 0.17 -0.65 5.56 4.20 -1.94 -2.19 115.11 117.65 1w2q h GLN 93 Ca -0.18 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.60 1w2q h GLN 93 Cb 0.59 -0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.24 1w2q h GLN 93 CO 0.11 0.11 -0.30 -0.12 -0.67 0.00 0.00 178.83 177.97 1w2q n MET 94 N -4.49 -0.20 -0.29 1.46 1.56 -1.26 0.16 117.12 114.06 1w2q n MET 94 Ca 0.30 0.99 0.05 0.00 -0.27 0.00 0.00 57.70 58.78 1w2q n MET 94 Cb 1.21 -1.47 0.15 0.00 2.15 0.00 0.00 33.22 35.26 1w2q n MET 94 CO 0.00 0.00 0.00 -0.24 -0.73 0.00 0.00 175.97 175.00 1w2q h VAL 95 N 0.00 0.19 0.00 1.12 3.04 -1.42 0.73 116.25 119.92 1w2q h VAL 95 Ca 0.18 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 1w2q h VAL 95 Cb 0.35 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.79 1w2q h VAL 95 CO -0.63 0.01 0.00 0.00 -1.01 0.00 0.00 177.57 175.93 1w2q n GLN 96 N -5.48 0.00 -0.32 4.17 6.02 0.43 -2.42 117.38 119.78 1w2q n GLN 96 Ca 0.14 0.47 0.17 0.00 -0.01 0.00 0.00 57.00 57.77 1w2q n GLN 96 Cb 0.48 -1.03 0.33 0.00 1.02 0.00 0.00 30.24 31.05 1w2q n GLN 96 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1w2q n GLN 97 N -1.90 -0.07 0.25 -1.09 6.02 -0.17 0.43 117.38 120.85 1w2q n GLN 97 Ca 0.00 1.39 -0.16 0.00 -0.01 0.00 0.00 57.00 58.22 1w2q n GLN 97 Cb 0.00 -2.26 -0.08 0.00 1.02 0.00 0.00 30.24 28.92 1w2q n GLN 97 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1w2q h PHE 98 N 0.00 -0.56 -0.75 1.08 3.57 0.36 0.21 116.94 120.86 1w2q h PHE 98 Ca 0.62 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.17 1w2q h PHE 98 Cb 1.37 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 40.24 1w2q h PHE 98 CO -0.38 -0.32 0.49 -0.22 -2.23 0.00 0.00 178.31 175.65 1w2q h LYS 99 N -0.65 0.75 0.33 1.11 1.63 0.33 0.84 116.57 120.91 1w2q h LYS 99 Ca -0.06 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 1w2q h LYS 99 Cb 0.49 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1w2q h LYS 99 CO 0.10 0.49 -0.16 0.00 -3.45 0.00 0.00 179.45 176.43 1w2q h ARG 100 N 0.77 -0.43 -0.55 1.90 3.08 0.50 -1.05 114.38 118.59 1w2q h ARG 100 Ca 0.32 0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.34 1w2q h ARG 100 Cb 0.28 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1w2q h ARG 100 CO -0.11 -0.15 0.09 0.93 -1.07 0.00 0.00 179.97 179.66 1w2q h GLU 101 N -0.69 0.87 0.00 0.04 4.39 -0.03 -0.87 114.58 118.29 1w2q h GLU 101 Ca -0.05 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 1w2q h GLU 101 Cb 0.48 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1w2q h GLU 101 CO 0.07 0.81 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.65 1w2q h LEU 102 N 0.83 0.00 -0.17 1.33 3.38 0.86 0.26 115.31 121.80 1w2q h LEU 102 Ca 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1w2q h LEU 102 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1w2q h LEU 102 CO 0.01 0.01 -0.37 0.24 0.09 0.00 0.00 178.44 178.43 1w2q h MET 103 N 0.00 0.54 0.00 1.13 2.86 0.21 -3.15 114.93 116.52 1w2q h MET 103 Ca -0.00 -0.36 -0.09 0.00 -2.06 0.00 0.00 59.70 57.19 1w2q h MET 103 Cb 0.07 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1w2q h MET 103 CO 0.00 0.97 -0.49 0.77 1.06 0.00 0.00 176.91 179.22 1w2q h SER 104 N 0.19 0.00 -0.82 1.22 0.02 -1.25 -3.32 113.55 109.59 1w2q h SER 104 Ca 0.00 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.14 1w2q h SER 104 Cb 0.97 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.36 1w2q h SER 104 CO 0.08 0.39 -0.08 0.25 -1.14 0.00 0.00 176.83 176.33 1w2q h LEU 105 N 0.00 -0.55 0.00 5.07 5.85 -0.48 1.84 115.31 127.04 1w2q h LEU 105 Ca -0.02 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1w2q h LEU 105 Cb 1.31 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1w2q h LEU 105 CO 0.05 -0.25 0.00 -0.81 -0.34 0.00 0.00 178.44 177.09 1w2q n PRO 106 N -5.45 0.17 -0.03 5.25 -0.04 -1.25 -2.33 135.00 131.32 1w2q n PRO 106 Ca 0.14 0.16 -0.21 0.00 -0.04 0.00 0.00 63.50 63.56 1w2q n PRO 106 Cb 0.49 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 1w2q n PRO 106 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1w2q n GLN 107 N -1.25 0.73 -0.65 0.54 6.02 0.62 0.25 117.38 123.64 1w2q n GLN 107 Ca 0.05 0.25 0.49 0.00 -0.01 0.00 0.00 57.00 57.79 1w2q n GLN 107 Cb 0.08 -1.67 0.75 0.00 1.02 0.00 0.00 30.24 30.42 1w2q n GLN 107 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1w2q n GLN 108 N -3.49 0.00 -1.63 -1.09 1.13 -0.96 -0.91 117.38 110.42 1w2q n GLN 108 Ca -0.35 0.99 -0.00 0.00 -1.94 0.00 0.00 57.00 55.69 1w2q n GLN 108 Cb 1.02 -2.28 0.01 0.00 0.11 0.00 0.00 30.24 29.09 1w2q n GLN 108 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1w2q n ASN 110 N 0.01 -0.33 0.45 0.00 2.85 -0.09 -4.86 115.26 113.30 1w2q n ASN 110 Ca -0.07 -1.05 -0.18 0.00 -0.11 0.00 0.00 54.58 53.18 1w2q n ASN 110 Cb 0.94 -2.80 -0.08 0.00 1.24 0.00 0.00 39.78 39.07 1w2q n ASN 110 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1w2q h PHE 111 N -1.80 -1.08 -4.30 1.20 3.57 0.30 -3.43 116.94 111.39 1w2q h PHE 111 Ca -0.63 -0.03 -0.49 0.00 3.53 0.00 0.00 57.97 60.35 1w2q h PHE 111 Cb 1.38 0.36 0.11 0.00 2.79 0.00 0.00 35.95 40.58 1w2q h PHE 111 CO 0.50 -0.67 0.34 1.03 -2.23 0.00 0.00 178.31 177.29 1w2q s ARG 112 N -5.41 2.30 0.14 1.11 0.52 -1.24 -4.95 118.95 111.43 1w2q s ARG 112 Ca -0.17 0.72 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1w2q s ARG 112 Cb 0.02 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.55 1w2q s ARG 112 CO 0.51 -1.49 0.00 0.00 0.02 0.00 0.00 175.30 174.34 1w2q n ALA 113 N -3.36 0.56 -2.17 2.13 0.00 -1.26 -5.00 120.51 111.40 1w2q n ALA 113 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1w2q n ALA 113 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 1w2q n ALA 113 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1w2q s PRO 114 N -1.31 4.19 0.50 0.00 0.04 -1.26 -4.89 135.00 132.27 1w2q s PRO 114 Ca 0.00 1.97 0.21 0.00 0.04 0.00 0.00 61.00 63.22 1w2q s PRO 114 Cb 0.00 -3.90 1.32 0.00 0.04 0.00 0.00 34.50 31.95 1w2q s PRO 114 CO 0.00 -0.81 2.09 1.96 0.04 0.00 0.00 177.00 180.28 1w2q h GLN 115 N 9.06 0.00 -0.89 4.56 4.20 -2.01 -2.08 115.11 127.95 1w2q h GLN 115 Ca -0.34 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1w2q h GLN 115 Cb 1.15 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.88 1w2q h GLN 115 CO 0.96 0.11 0.55 -0.09 -0.67 0.00 0.00 178.83 179.69 1w2q h ARG 116 N 0.00 1.20 -7.22 1.46 2.43 -2.04 -3.43 114.38 106.77 1w2q h ARG 116 Ca -0.00 -0.10 -0.48 0.00 -0.81 0.00 0.00 59.98 58.59 1w2q h ARG 116 Cb 0.22 -0.26 0.20 0.00 -0.42 0.00 0.00 29.97 29.71 1w2q h ARG 116 CO 0.01 0.83 0.13 0.00 -1.51 0.00 0.00 179.97 179.43 1w2q n ASP 118 N -4.51 -4.55 -4.64 0.00 8.00 -1.26 -4.97 116.55 104.62 1w2q n ASP 118 Ca 0.07 -0.63 -0.35 0.00 0.71 0.00 0.00 54.79 54.59 1w2q n ASP 118 Cb 0.53 -4.73 -0.10 0.00 -0.02 0.00 0.00 41.12 36.81 1w2q n ASP 118 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1w2q s LEU 119 N -7.03 3.77 -1.30 0.64 0.20 -1.22 -4.47 118.68 109.27 1w2q s LEU 119 Ca 0.41 0.08 -0.02 0.00 0.69 0.00 0.00 54.13 55.29 1w2q s LEU 119 Cb -0.19 -1.94 0.01 0.00 -0.43 0.00 0.00 46.19 43.64 1w2q s LEU 119 CO 0.76 0.20 0.85 0.47 -0.29 0.00 0.00 176.35 178.34 1w2q n ASP 120 N 3.34 -2.08 -3.52 3.68 8.00 -1.26 -4.92 116.55 119.79 1w2q n ASP 120 Ca -0.17 -0.74 -0.31 0.00 0.71 0.00 0.00 54.79 54.29 1w2q n ASP 120 Cb 0.52 -4.44 -0.06 0.00 -0.02 0.00 0.00 41.12 37.13 1w2q n ASP 120 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1w2q n VAL 121 N -4.31 3.15 -2.55 2.53 0.31 -1.26 -5.06 118.33 111.13 1w2q n VAL 121 Ca -0.25 -5.42 -0.38 0.00 -0.01 0.00 0.00 64.34 58.28 1w2q n VAL 121 Cb 0.65 -2.04 -0.04 0.00 -0.91 0.00 0.00 33.84 31.50 1w2q n VAL 121 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1w2q s SER 122 N -2.39 6.99 0.00 4.52 0.15 -1.26 -4.92 113.70 116.79 1w2q s SER 122 Ca 0.39 2.09 0.12 0.00 0.70 0.00 0.00 55.95 59.25 1w2q s SER 122 Cb 0.14 -2.60 0.35 0.00 -1.71 0.00 0.00 66.02 62.20 1w2q s SER 122 CO 0.01 -0.33 1.29 0.61 1.20 0.00 0.00 173.24 176.01 1w2q n GLY 123 N 0.67 0.78 0.38 9.45 0.00 -1.26 -4.28 105.19 110.93 1w2q n GLY 123 Ca 0.03 -0.42 0.22 0.00 0.00 0.00 0.00 46.02 45.85 1w2q n GLY 123 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1w2q h GLY 124 N 5.16 1.56 0.56 -0.02 0.00 -2.01 0.55 103.07 108.87 1w2q h GLY 124 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 47.33 47.20 1w2q h GLY 124 CO 0.00 -0.23 0.61 -0.09 0.00 0.00 0.00 176.54 176.83 1w2q h ARG 125 N 0.44 0.90 -0.04 4.80 2.43 -2.01 0.22 114.38 121.12 1w2q h ARG 125 Ca 0.64 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.77 1w2q h ARG 125 Cb 1.49 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1w2q h ARG 125 CO -0.40 0.59 0.03 0.00 -1.51 0.00 0.00 179.97 178.69