#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 3.79 -0.02 1.61 0.04 -1.26 -5.05 135.00 134.11 1w2q s PRO 2 Ca 0.00 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1w2q s PRO 2 Cb 0.00 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1w2q s PRO 2 CO 0.00 -0.52 -0.00 -1.64 0.04 0.00 0.00 177.00 174.88 1w2q s MET 3 N -2.69 2.83 0.08 4.56 -1.94 -1.26 -5.12 119.30 115.77 1w2q s MET 3 Ca 0.63 -0.56 0.07 0.00 -1.71 0.00 0.00 55.69 54.12 1w2q s MET 3 Cb -0.28 -2.70 -0.03 0.00 2.01 0.00 0.00 34.83 33.83 1w2q s MET 3 CO 0.34 0.65 -0.18 1.03 -0.01 0.00 0.00 175.02 176.84 1w2q s ARG 4 N -1.36 1.05 0.44 2.03 0.52 -1.26 -5.01 118.95 115.35 1w2q s ARG 4 Ca 0.18 -1.05 0.14 0.00 -0.52 0.00 0.00 55.73 54.49 1w2q s ARG 4 Cb -0.11 -1.20 1.05 0.00 0.52 0.00 0.00 34.95 35.20 1w2q s ARG 4 CO 0.08 0.28 1.97 0.00 0.02 0.00 0.00 175.30 177.65 1w2q h ARG 5 N 4.29 0.38 -6.82 3.54 3.08 -2.08 -3.42 114.38 113.35 1w2q h ARG 5 Ca -0.44 -0.02 -0.57 0.00 0.07 0.00 0.00 59.98 59.02 1w2q h ARG 5 Cb 1.18 -0.09 0.14 0.00 0.08 0.00 0.00 29.97 31.28 1w2q h ARG 5 CO 0.40 0.25 0.34 0.39 -1.07 0.00 0.00 179.97 180.29 1w2q n GLU 6 N -4.47 1.51 -4.41 0.04 1.02 -1.26 -5.00 120.64 108.07 1w2q n GLU 6 Ca 0.10 0.55 -0.26 0.00 -0.02 0.00 0.00 57.16 57.53 1w2q n GLU 6 Cb 0.40 -2.28 -0.11 0.00 -0.02 0.00 0.00 31.44 29.43 1w2q n GLU 6 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1w2q s ARG 7 N -2.40 1.69 0.59 3.49 0.52 -1.26 -5.14 118.95 116.44 1w2q s ARG 7 Ca 0.67 -1.54 -0.10 0.00 -0.52 0.00 0.00 55.73 54.23 1w2q s ARG 7 Cb -0.48 -1.89 0.14 0.00 0.52 0.00 0.00 34.95 33.23 1w2q s ARG 7 CO 0.54 0.38 0.76 0.41 0.02 0.00 0.00 175.30 177.41 1w2q n GLY 8 N -0.07 -1.52 3.43 -3.53 0.00 -1.26 -5.08 105.19 97.15 1w2q n GLY 8 Ca -0.10 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 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 -4.66 1.53 0.23 1.61 0.52 -1.26 -5.13 118.95 111.78 1w2q s ARG 9 Ca 0.44 -1.55 -0.07 0.00 -0.52 0.00 0.00 55.73 54.02 1w2q s ARG 9 Cb -0.02 -1.82 -0.06 0.00 0.52 0.00 0.00 34.95 33.57 1w2q s ARG 9 CO 0.31 0.39 0.52 -0.65 0.02 0.00 0.00 175.30 175.88 1w2q s GLN 10 N -2.77 3.72 0.00 3.54 -0.21 -1.26 -4.17 119.66 118.51 1w2q s GLN 10 Ca 0.22 0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.72 1w2q s GLN 10 Cb -0.08 -2.69 0.00 0.00 1.00 0.00 0.00 33.01 31.25 1w2q s GLN 10 CO 0.10 0.32 0.00 0.41 -2.12 0.00 0.00 175.29 174.00 1w2q n GLY 11 N -0.32 0.83 0.37 3.09 0.00 -1.26 -4.95 105.19 102.95 1w2q n GLY 11 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.79 -0.10 1.61 3.32 -2.04 0.32 116.42 120.33 1w2q h ASP 12 Ca 0.00 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1w2q h ASP 12 Cb 0.00 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1w2q h ASP 12 CO 0.00 0.43 0.16 0.77 -1.72 0.00 0.00 179.24 178.88 1w2q h SER 13 N 0.86 0.00 -3.80 6.45 4.64 -1.94 -3.42 113.55 116.34 1w2q h SER 13 Ca 0.45 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 61.31 1w2q h SER 13 Cb 0.54 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.80 1w2q h SER 13 CO -0.21 0.00 0.17 -0.94 -0.87 0.00 0.00 176.83 174.97 1w2q s SER 14 N -5.52 2.45 0.10 4.97 1.04 0.11 -5.06 113.70 111.79 1w2q s SER 14 Ca -0.05 1.38 -0.10 0.00 0.48 0.00 0.00 55.95 57.66 1w2q s SER 14 Cb 0.14 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 64.20 1w2q s SER 14 CO 0.48 -3.26 0.24 -0.94 0.98 0.00 0.00 173.24 170.74 1w2q s SER 15 N -3.20 0.03 0.58 7.02 1.04 -1.26 -5.00 113.70 112.91 1w2q s SER 15 Ca 0.66 -0.59 0.36 0.00 0.48 0.00 0.00 55.95 56.86 1w2q s SER 15 Cb -0.20 0.38 1.39 0.00 0.10 0.00 0.00 66.02 67.69 1w2q s SER 15 CO 0.59 -0.77 1.62 0.00 0.98 0.00 0.00 173.24 175.66 1w2q h GLU 17 N 0.00 0.13 -1.09 0.00 4.39 -1.98 0.49 114.58 116.52 1w2q h GLU 17 Ca 0.56 -0.01 0.30 0.00 0.34 0.00 0.00 59.36 60.56 1w2q h GLU 17 Cb 2.62 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 31.18 1w2q h GLU 17 CO -0.01 0.09 0.76 -0.09 -1.16 0.00 0.00 179.01 178.60 1w2q h ARG 18 N 0.14 0.13 0.00 2.33 2.43 -0.69 1.73 114.38 120.45 1w2q h ARG 18 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1w2q h ARG 18 Cb 0.21 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1w2q h ARG 18 CO -0.25 0.09 0.00 0.37 -1.51 0.00 0.00 179.97 178.67 1w2q h GLN 19 N 0.13 0.00 0.06 0.20 4.15 -1.00 -3.19 115.11 115.46 1w2q h GLN 19 Ca 0.55 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.69 1w2q h GLN 19 Cb 1.92 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.58 1w2q h GLN 19 CO -0.11 0.00 -1.52 0.28 -1.93 0.00 0.00 178.83 175.56 1w2q h VAL 20 N 0.00 1.13 -0.48 2.39 2.07 0.29 -3.30 116.25 118.35 1w2q h VAL 20 Ca 0.00 -2.86 0.14 0.00 0.82 0.00 0.00 66.70 64.80 1w2q h VAL 20 Cb 0.71 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 1w2q h VAL 20 CO 0.00 0.75 0.54 0.44 0.02 0.00 0.00 177.57 179.31 1w2q h ASP 21 N 0.03 0.00 1.20 0.57 3.32 -1.37 0.73 116.42 120.91 1w2q h ASP 21 Ca -0.22 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.68 1w2q h ASP 21 Cb 1.97 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.50 1w2q h ASP 21 CO 0.12 0.00 -0.83 -0.09 -1.72 0.00 0.00 179.24 176.72 1w2q h ARG 22 N 0.00 0.00 0.00 3.56 2.43 -1.73 -3.37 114.38 115.27 1w2q h ARG 22 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1w2q h ARG 22 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1w2q h ARG 22 CO -0.00 0.53 0.00 0.28 -1.51 0.00 0.00 179.97 179.27 1w2q n VAL 23 N -3.16 0.00 -3.36 0.20 0.31 0.26 -4.86 118.33 107.72 1w2q n VAL 23 Ca -0.02 1.20 -0.19 0.00 -0.01 0.00 0.00 64.34 65.32 1w2q n VAL 23 Cb 0.80 -1.78 0.01 0.00 -0.91 0.00 0.00 33.84 31.96 1w2q n VAL 23 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1w2q n ASN 24 N -1.66 -6.36 -3.72 4.52 5.15 -1.25 -4.87 115.26 107.08 1w2q n ASN 24 Ca 0.00 -0.25 -0.40 0.00 -0.60 0.00 0.00 54.58 53.33 1w2q n ASN 24 Cb 0.00 -3.30 0.01 0.00 -0.53 0.00 0.00 39.78 35.95 1w2q n ASN 24 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1w2q n LEU 25 N -1.35 6.67 -0.30 1.20 4.77 -1.26 -4.79 117.00 121.94 1w2q n LEU 25 Ca -0.10 -5.35 -0.04 0.00 -0.03 0.00 0.00 56.01 50.49 1w2q n LEU 25 Cb 0.60 -1.14 0.07 0.00 -2.33 0.00 0.00 43.42 40.62 1w2q n LEU 25 CO 0.56 1.94 1.17 0.50 -1.33 0.00 0.00 177.39 180.23 1w2q h LYS 26 N 4.58 1.13 -0.42 3.23 3.64 -1.93 -2.73 116.57 124.06 1w2q h LYS 26 Ca 0.37 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1w2q h LYS 26 Cb 0.46 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1w2q h LYS 26 CO 1.20 0.81 -0.24 -1.00 -2.27 0.00 0.00 179.45 177.95 1w2q h PRO 27 N 1.13 0.87 0.62 1.90 0.13 -1.97 -0.26 132.00 134.43 1w2q h PRO 27 Ca 0.29 -0.37 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1w2q h PRO 27 Cb -0.02 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.08 1w2q h PRO 27 CO -0.05 1.02 -0.36 0.00 -0.23 0.00 0.00 178.00 178.37 1w2q h GLU 29 N -0.92 0.85 0.00 0.00 4.81 -1.51 0.03 114.58 117.83 1w2q h GLU 29 Ca -0.08 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1w2q h GLU 29 Cb 0.74 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1w2q h GLU 29 CO 0.09 0.66 -0.04 1.96 -0.73 0.00 0.00 179.01 180.95 1w2q h GLN 30 N 0.84 0.00 -0.08 1.92 4.20 -0.46 0.45 115.11 121.98 1w2q h GLN 30 Ca 0.21 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 1w2q h GLN 30 Cb 0.10 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.89 1w2q h GLN 30 CO -0.03 0.04 -0.43 1.25 -0.67 0.00 0.00 178.83 179.00 1w2q h HIS 31 N 0.00 0.58 -0.08 2.96 -0.00 0.12 -2.47 115.15 116.26 1w2q h HIS 31 Ca -0.00 -0.26 -0.14 0.00 -0.00 0.00 0.00 60.37 59.97 1w2q h HIS 31 Cb 0.10 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1w2q h HIS 31 CO 0.00 1.02 -0.58 0.82 -0.00 0.00 0.00 177.93 179.19 1w2q h ILE 32 N -0.03 1.38 -0.47 6.26 2.04 -0.94 -2.99 117.51 122.76 1w2q h ILE 32 Ca -0.03 -1.93 -0.06 0.00 1.00 0.00 0.00 64.86 63.84 1w2q h ILE 32 Cb 1.08 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 1w2q h ILE 32 CO 0.09 0.57 0.02 0.24 0.00 0.00 0.00 178.15 179.07 1w2q h MET 33 N 0.19 0.75 -0.51 2.37 2.86 -0.13 -2.34 114.93 118.12 1w2q h MET 33 Ca -0.00 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1w2q h MET 33 Cb 1.08 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.62 1w2q h MET 33 CO 0.09 0.75 0.23 1.96 1.06 0.00 0.00 176.91 180.99 1w2q h GLN 34 N 0.71 0.72 -0.17 1.72 4.20 -1.29 -2.27 115.11 118.74 1w2q h GLN 34 Ca 0.14 -0.09 -0.18 0.00 0.06 0.00 0.00 58.65 58.58 1w2q h GLN 34 Cb 0.40 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1w2q h GLN 34 CO 0.01 0.58 -0.62 -0.09 -0.67 0.00 0.00 178.83 178.04 1w2q h ARG 35 N 0.72 0.59 0.00 1.46 2.43 -1.44 -2.70 114.38 115.44 1w2q h ARG 35 Ca 0.18 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1w2q h ARG 35 Cb 0.11 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1w2q h ARG 35 CO -0.02 1.03 0.00 0.44 -1.51 0.00 0.00 179.97 179.91 1w2q n ILE 36 N -3.93 0.00 0.27 1.20 -5.35 -0.90 -3.58 119.36 107.06 1w2q n ILE 36 Ca -0.04 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.56 1w2q n ILE 36 Cb 0.65 -0.22 0.75 0.00 -1.74 0.00 0.00 39.64 39.08 1w2q n ILE 36 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1w2q h MET 37 N 0.00 0.00 0.00 6.28 2.86 -1.08 -3.47 114.93 119.52 1w2q h MET 37 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1w2q h MET 37 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1w2q h MET 37 CO 0.00 0.09 0.00 0.41 1.06 0.00 0.00 176.91 178.47 1w2q n GLY 38 N -0.93 3.43 0.26 8.32 0.00 -1.23 -1.17 105.19 113.87 1w2q n GLY 38 Ca -0.02 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1w2q n GLY 38 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1w2q h GLU 39 N 0.00 0.00 -0.29 1.61 5.08 -1.96 -1.80 114.58 117.22 1w2q h GLU 39 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1w2q h GLU 39 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1w2q h GLU 39 CO 0.00 0.10 0.39 1.96 -1.00 0.00 0.00 179.01 180.46 1w2q h GLN 40 N 0.00 0.00 -7.09 2.33 4.20 -1.52 -3.41 115.11 109.61 1w2q h GLN 40 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 1w2q h GLN 40 Cb 0.24 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.17 1w2q h GLN 40 CO 0.01 0.00 0.53 -1.21 -0.67 0.00 0.00 178.83 177.49 1w2q s GLU 41 N -4.50 2.76 0.02 1.46 2.02 -0.68 -5.01 118.70 114.77 1w2q s GLU 41 Ca -0.04 2.07 0.04 0.00 0.02 0.00 0.00 54.97 57.06 1w2q s GLU 41 Cb 0.14 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 1w2q s GLU 41 CO 0.48 -1.44 -0.08 -0.65 0.02 0.00 0.00 175.26 173.59 1w2q s GLN 42 N -3.26 2.45 0.07 1.61 -0.21 -1.26 -5.04 119.66 114.01 1w2q s GLN 42 Ca 0.79 -0.79 0.09 0.00 0.02 0.00 0.00 55.36 55.47 1w2q s GLN 42 Cb -0.37 -2.44 -0.03 0.00 1.00 0.00 0.00 33.01 31.17 1w2q s GLN 42 CO 0.40 0.58 -0.25 0.71 -2.12 0.00 0.00 175.29 174.62 1w2q s TYR 43 N -1.02 2.13 0.14 0.91 2.02 -1.26 -5.11 117.35 115.16 1w2q s TYR 43 Ca 0.17 -0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 56.39 1w2q s TYR 43 Cb -0.11 -1.24 -0.00 0.00 -0.40 0.00 0.00 41.96 40.21 1w2q s TYR 43 CO 0.08 0.17 0.26 0.16 -1.57 0.00 0.00 175.55 174.66 1w2q s ASP 44 N -1.48 0.05 0.34 2.29 1.47 -1.26 -5.03 116.67 113.04 1w2q s ASP 44 Ca 0.11 -0.78 0.02 0.00 1.18 0.00 0.00 52.55 53.07 1w2q s ASP 44 Cb -0.10 0.41 0.61 0.00 -0.34 0.00 0.00 42.92 43.50 1w2q s ASP 44 CO 0.03 -0.85 1.98 0.28 0.68 0.00 0.00 175.17 177.29 1w2q h SER 45 N 2.59 0.71 -0.91 2.11 0.02 -2.05 -1.97 113.55 114.06 1w2q h SER 45 Ca -0.32 -0.04 0.12 0.00 -0.84 0.00 0.00 61.79 60.70 1w2q h SER 45 Cb 1.22 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.50 1w2q h SER 45 CO 0.50 0.56 0.54 0.22 -1.14 0.00 0.00 176.83 177.51 1w2q h TYR 46 N 0.82 0.97 -3.05 3.45 3.20 -2.04 -3.38 116.97 116.93 1w2q h TYR 46 Ca 0.21 0.03 -0.56 0.00 3.14 0.00 0.00 58.73 61.55 1w2q h TYR 46 Cb -0.01 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 37.93 1w2q h TYR 46 CO 0.00 0.36 0.76 0.34 -1.64 0.00 0.00 178.16 177.99 1w2q s ASP 47 N -5.61 7.05 -0.14 -2.11 2.15 -0.74 -5.02 116.67 112.26 1w2q s ASP 47 Ca -0.12 1.67 -0.03 0.00 0.43 0.00 0.00 52.55 54.50 1w2q s ASP 47 Cb 0.21 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.25 1w2q s ASP 47 CO 0.79 -0.63 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.50 1w2q s ILE 48 N 2.74 3.98 0.53 4.11 1.01 -1.26 -4.73 121.20 127.58 1w2q s ILE 48 Ca 0.53 -0.34 0.19 0.00 0.00 0.00 0.00 60.65 61.03 1w2q s ILE 48 Cb -0.21 -2.72 0.29 0.00 0.01 0.00 0.00 42.46 39.83 1w2q s ILE 48 CO 0.17 0.52 2.16 -0.09 0.00 0.00 0.00 174.94 177.70 1w2q h ARG 49 N 6.29 0.00 -0.42 2.79 2.43 -1.95 -0.84 114.38 122.68 1w2q h ARG 49 Ca -0.36 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1w2q h ARG 49 Cb 1.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1w2q h ARG 49 CO 0.61 0.00 0.42 0.66 -1.51 0.00 0.00 179.97 180.15 1w2q h SER 50 N 0.00 0.00 -3.04 -3.80 4.64 -2.02 -3.40 113.55 105.93 1w2q h SER 50 Ca 0.01 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.69 1w2q h SER 50 Cb 0.06 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.99 1w2q h SER 50 CO -0.00 0.00 -0.78 0.42 -0.87 0.00 0.00 176.83 175.60 1w2q s THR 51 N -4.66 2.64 -0.00 2.95 -4.23 -0.32 -5.14 115.64 106.88 1w2q s THR 51 Ca -0.04 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.54 1w2q s THR 51 Cb 0.16 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 1w2q s THR 51 CO 0.57 -0.14 -0.06 -0.13 -0.54 0.00 0.00 174.62 174.32 1w2q s ARG 52 N -2.81 0.44 0.00 3.99 0.52 -1.26 -4.73 118.95 115.10 1w2q s ARG 52 Ca 0.23 -0.24 0.18 0.00 -0.52 0.00 0.00 55.73 55.38 1w2q s ARG 52 Cb -0.08 -0.41 0.64 0.00 0.52 0.00 0.00 34.95 35.63 1w2q s ARG 52 CO 0.12 0.11 1.47 -1.13 0.02 0.00 0.00 175.30 175.89 1w2q n SER 53 N 2.83 1.59 0.24 0.23 3.41 -1.26 -3.93 113.62 116.72 1w2q n SER 53 Ca -0.14 -1.77 0.10 0.00 -0.26 0.00 0.00 58.87 56.80 1w2q n SER 53 Cb 0.58 -0.13 0.62 0.00 -0.26 0.00 0.00 64.21 65.02 1w2q n SER 53 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1w2q h SER 54 N 1.99 0.00 0.92 4.04 0.02 -2.02 -1.21 113.55 117.30 1w2q h SER 54 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1w2q h SER 54 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1w2q h SER 54 CO 0.00 0.17 0.00 0.44 -1.14 0.00 0.00 176.83 176.30 1w2q h ASP 55 N 0.00 0.00 0.88 3.07 3.32 -2.03 -2.62 116.42 119.04 1w2q h ASP 55 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 1w2q h ASP 55 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1w2q h ASP 55 CO 0.02 0.00 -0.83 1.56 -1.72 0.00 0.00 179.24 178.27 1w2q h GLN 56 N 0.00 0.00 -0.24 3.56 4.20 -1.50 -3.17 115.11 117.97 1w2q h GLN 56 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1w2q h GLN 56 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1w2q h GLN 56 CO 0.00 0.83 -0.30 1.96 -0.67 0.00 0.00 178.83 180.64 1w2q h GLN 57 N 0.00 0.48 -0.24 1.46 1.08 -1.53 -2.33 115.11 114.04 1w2q h GLN 57 Ca -0.01 -0.20 0.07 0.00 -1.45 0.00 0.00 58.65 57.06 1w2q h GLN 57 Cb 1.49 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.89 1w2q h GLN 57 CO 0.11 0.74 0.57 1.96 -0.95 0.00 0.00 178.83 181.26 1w2q h GLN 58 N 0.42 0.00 0.72 1.46 4.20 -1.60 -0.89 115.11 119.42 1w2q h GLN 58 Ca 0.05 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1w2q h GLN 58 Cb 0.74 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1w2q h GLN 58 CO 0.06 0.00 -0.44 -0.09 -0.67 0.00 0.00 178.83 177.69 1w2q h ARG 59 N 0.00 -1.04 0.00 1.46 2.43 -1.59 0.70 114.38 116.34 1w2q h ARG 59 Ca 0.11 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1w2q h ARG 59 Cb 1.26 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1w2q h ARG 59 CO -0.00 -0.70 0.00 0.00 -1.51 0.00 0.00 179.97 177.76 1w2q h ASP 62 N 0.34 0.33 -0.07 0.00 3.32 0.36 -0.65 116.42 120.05 1w2q h ASP 62 Ca 0.61 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.65 1w2q h ASP 62 Cb 1.26 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1w2q h ASP 62 CO -0.58 0.18 -0.09 -0.33 -1.72 0.00 0.00 179.24 176.70 1w2q h GLU 63 N 0.36 0.18 0.00 3.56 5.08 0.49 -2.39 114.58 121.85 1w2q h GLU 63 Ca 0.33 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1w2q h GLU 63 Cb 0.79 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1w2q h GLU 63 CO -0.09 0.65 0.00 1.28 -1.00 0.00 0.00 179.01 179.85 1w2q n LEU 64 N -4.68 0.00 0.13 1.33 4.77 -0.43 -0.24 117.00 117.88 1w2q n LEU 64 Ca -0.08 0.40 0.01 0.00 -0.03 0.00 0.00 56.01 56.32 1w2q n LEU 64 Cb 0.33 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1w2q n LEU 64 CO 0.37 -0.32 0.44 -1.13 -1.33 0.00 0.00 177.39 175.42 1w2q h ASN 65 N 0.00 0.00 0.00 -1.43 -0.73 -0.63 -3.44 115.58 109.35 1w2q h ASN 65 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1w2q h ASN 65 Cb 0.08 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.67 1w2q h ASN 65 CO 0.00 0.59 0.00 1.21 -0.37 0.00 0.00 177.43 178.86 1w2q n GLU 66 N -3.34 0.00 -0.18 6.67 2.13 -0.37 -4.96 120.64 120.59 1w2q n GLU 66 Ca 0.01 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.76 1w2q n GLU 66 Cb 0.73 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.46 1w2q n GLU 66 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1w2q h MET 67 N 0.00 0.72 -0.01 5.31 2.86 -0.76 -0.19 114.93 122.86 1w2q h MET 67 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1w2q h MET 67 Cb 0.00 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1w2q h MET 67 CO 0.00 0.51 0.00 0.39 1.06 0.00 0.00 176.91 178.87 1w2q n GLU 68 N -4.68 1.03 -2.02 1.72 1.02 -0.08 -4.84 120.64 112.79 1w2q n GLU 68 Ca 0.03 -0.04 -0.05 0.00 -0.02 0.00 0.00 57.16 57.08 1w2q n GLU 68 Cb 0.05 -1.29 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 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 -0.75 -1.88 -4.71 1.62 4.13 -0.08 -4.80 115.26 108.79 1w2q n ASN 69 Ca 0.14 0.29 -0.42 0.00 1.68 0.00 0.00 54.58 56.27 1w2q n ASN 69 Cb 0.07 -1.80 -0.03 0.00 -1.54 0.00 0.00 39.78 36.48 1w2q n ASN 69 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1w2q s THR 70 N -1.97 2.58 0.14 3.41 -1.32 -1.26 -4.89 115.64 112.33 1w2q s THR 70 Ca 0.00 0.34 -0.02 0.00 -1.21 0.00 0.00 61.69 60.80 1w2q s THR 70 Cb 0.00 -3.22 -0.18 0.00 -1.51 0.00 0.00 72.50 67.60 1w2q s THR 70 CO 0.00 0.02 1.32 1.56 -2.21 0.00 0.00 174.62 175.31 1w2q h GLN 71 N 7.24 0.31 0.00 7.08 4.20 -1.96 -3.48 115.11 128.50 1w2q h GLN 71 Ca -0.43 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 57.93 1w2q h GLN 71 Cb 1.20 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1w2q h GLN 71 CO 0.93 1.05 0.00 0.41 -0.67 0.00 0.00 178.83 180.55 1w2q n GLY 72 N 0.96 -0.72 2.75 3.46 0.00 -1.26 -5.00 105.19 105.37 1w2q n GLY 72 Ca -0.06 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 0.03 0.05 -0.72 0.00 4.05 -1.95 0.17 114.93 116.56 1w2q h MET 74 Ca -0.21 -0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.33 1w2q h MET 74 Cb 1.12 -0.01 -0.13 0.00 -0.80 0.00 0.00 31.60 31.78 1w2q h MET 74 CO 0.31 0.03 -0.36 0.00 0.23 0.00 0.00 176.91 177.12 1w2q h GLU 76 N -0.12 0.00 0.04 0.00 5.08 -1.07 -0.63 114.58 117.88 1w2q h GLU 76 Ca 0.26 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1w2q h GLU 76 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1w2q h GLU 76 CO -0.78 0.01 -0.02 0.00 -1.00 0.00 0.00 179.01 177.23 1w2q h ALA 77 N 1.99 -0.05 -0.70 3.43 0.00 0.45 -2.62 119.26 121.74 1w2q h ALA 77 Ca -0.00 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1w2q h ALA 77 Cb 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1w2q h ALA 77 CO 0.00 -0.09 0.45 -0.07 0.00 0.00 0.00 179.25 179.54 1w2q h LEU 78 N -0.93 0.76 -0.61 0.00 3.38 -0.18 -1.76 115.31 115.96 1w2q h LEU 78 Ca -0.01 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1w2q h LEU 78 Cb 0.64 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1w2q h LEU 78 CO 0.01 0.53 0.31 1.56 0.09 0.00 0.00 178.44 180.94 1w2q h GLN 79 N 0.90 0.56 -0.25 1.13 4.20 -1.21 -1.79 115.11 118.65 1w2q h GLN 79 Ca 0.27 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.96 1w2q h GLN 79 Cb -0.03 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1w2q h GLN 79 CO -0.09 0.37 0.14 0.37 -0.67 0.00 0.00 178.83 178.95 1w2q h GLN 80 N 0.57 0.29 -0.02 1.46 5.75 -0.95 -2.07 115.11 120.15 1w2q h GLN 80 Ca 0.28 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.79 1w2q h GLN 80 Cb 0.22 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.65 1w2q h GLN 80 CO -0.20 0.19 -0.54 0.82 -2.65 0.00 0.00 178.83 176.45 1w2q h ILE 81 N 0.30 0.00 -0.63 2.39 2.04 -0.58 1.00 117.51 122.02 1w2q h ILE 81 Ca 0.10 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.08 1w2q h ILE 81 Cb -0.00 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.96 1w2q h ILE 81 CO -0.05 0.00 -0.19 0.24 0.00 0.00 0.00 178.15 178.15 1w2q h MET 82 N -0.66 -0.03 0.00 2.37 2.86 -1.21 1.70 114.93 119.96 1w2q h MET 82 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1w2q h MET 82 Cb 0.72 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1w2q h MET 82 CO -0.37 -0.02 0.00 0.93 1.06 0.00 0.00 176.91 178.51 1w2q h GLU 83 N -0.03 0.00 0.00 1.72 5.08 -0.46 1.34 114.58 122.22 1w2q h GLU 83 Ca 0.30 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1w2q h GLU 83 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1w2q h GLU 83 CO -0.67 0.00 -0.10 -0.91 -1.00 0.00 0.00 179.01 176.33 1w2q h ASN 84 N 0.00 0.00 0.00 1.42 -0.26 1.05 -3.40 115.58 114.39 1w2q h ASN 84 Ca 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.61 1w2q h ASN 84 Cb 0.35 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 37.50 1w2q h ASN 84 CO 0.00 0.10 0.01 1.67 -1.06 0.00 0.00 177.43 178.16 1w2q n GLN 85 N -3.15 0.47 -0.04 0.81 -0.06 -0.64 -4.97 117.38 109.80 1w2q n GLN 85 Ca 0.03 -1.04 0.12 0.00 -2.00 0.00 0.00 57.00 54.11 1w2q n GLN 85 Cb 0.52 -0.09 0.25 0.00 -4.06 0.00 0.00 30.24 26.86 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 3.83 0.10 0.78 0.00 3.32 -1.80 0.62 116.42 123.27 1w2q h ASP 87 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1w2q h ASP 87 Cb 0.82 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1w2q h ASP 87 CO 0.00 0.05 0.00 0.03 -1.72 0.00 0.00 179.24 177.60 1w2q h ARG 88 N 0.11 0.00 0.00 3.56 3.08 -1.96 -2.21 114.38 116.96 1w2q h ARG 88 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1w2q h ARG 88 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1w2q h ARG 88 CO -0.03 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.15 1w2q n LEU 89 N -2.61 0.24 -0.51 3.04 4.77 0.22 -3.20 117.00 118.94 1w2q n LEU 89 Ca 0.01 0.56 0.42 0.00 -0.03 0.00 0.00 56.01 56.97 1w2q n LEU 89 Cb 0.24 -0.53 0.73 0.00 -2.33 0.00 0.00 43.42 41.53 1w2q n LEU 89 CO 0.22 -0.37 1.35 -0.61 -1.33 0.00 0.00 177.39 176.65 1w2q h GLN 90 N 0.00 0.05 -6.40 3.23 4.15 -1.52 -3.36 115.11 111.26 1w2q h GLN 90 Ca 0.00 -0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 1w2q h GLN 90 Cb 0.28 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1w2q h GLN 90 CO 0.00 0.03 0.38 0.34 -1.93 0.00 0.00 178.83 177.65 1w2q s ASP 91 N -4.44 7.36 0.00 -0.69 2.15 -1.19 -4.89 116.67 114.97 1w2q s ASP 91 Ca -0.06 1.65 0.15 0.00 0.43 0.00 0.00 52.55 54.72 1w2q s ASP 91 Cb 0.27 -2.57 0.78 0.00 -0.30 0.00 0.00 42.92 41.10 1w2q s ASP 91 CO 0.85 -0.27 1.43 0.54 -0.17 0.00 0.00 175.17 177.55 1w2q n ARG 92 N 3.94 0.22 0.03 4.34 1.74 -1.26 -1.73 116.66 123.94 1w2q n ARG 92 Ca 0.06 0.14 -0.17 0.00 -0.77 0.00 0.00 57.85 57.11 1w2q n ARG 92 Cb 0.51 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.00 0.21 0.03 5.56 4.20 -1.90 -3.35 115.11 119.85 1w2q h GLN 93 Ca 0.00 -0.36 -0.23 0.00 0.06 0.00 0.00 58.65 58.12 1w2q h GLN 93 Cb 0.14 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1w2q h GLN 93 CO 0.00 1.03 -1.26 1.98 -0.67 0.00 0.00 178.83 179.91 1w2q h MET 94 N 0.06 0.06 -1.48 1.46 4.05 -1.79 -3.32 114.93 113.97 1w2q h MET 94 Ca -0.30 -0.10 0.43 0.00 -0.28 0.00 0.00 59.70 59.44 1w2q h MET 94 Cb 2.02 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 32.80 1w2q h MET 94 CO 0.13 1.05 1.22 -0.24 0.23 0.00 0.00 176.91 179.29 1w2q h VAL 95 N -0.79 0.09 0.00 -5.77 3.04 -1.47 0.14 116.25 111.48 1w2q h VAL 95 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1w2q h VAL 95 Cb 1.42 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1w2q h VAL 95 CO -0.13 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.43 1w2q n GLN 96 N -3.75 0.00 -0.33 4.17 6.02 -1.25 -2.08 117.38 120.16 1w2q n GLN 96 Ca 0.33 0.20 0.08 0.00 -0.01 0.00 0.00 57.00 57.60 1w2q n GLN 96 Cb 1.67 -0.76 0.19 0.00 1.02 0.00 0.00 30.24 32.36 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 0.02 -0.48 -1.09 4.20 -1.50 0.92 115.11 117.19 1w2q h GLN 97 Ca 0.00 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1w2q h GLN 97 Cb 0.00 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 1w2q h GLN 97 CO 0.00 0.01 0.20 0.35 -0.67 0.00 0.00 178.83 178.72 1w2q h PHE 98 N 0.02 0.36 -0.13 2.96 3.57 -0.90 0.38 116.94 123.20 1w2q h PHE 98 Ca 0.50 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.95 1w2q h PHE 98 Cb 0.88 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1w2q h PHE 98 CO -0.60 0.15 -0.25 -0.22 -2.23 0.00 0.00 178.31 175.16 1w2q h LYS 99 N 0.40 0.22 -0.06 1.11 3.64 0.12 0.36 116.57 122.36 1w2q h LYS 99 Ca 0.22 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1w2q h LYS 99 Cb 0.19 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1w2q h LYS 99 CO -0.20 0.47 -0.08 0.00 -2.27 0.00 0.00 179.45 177.37 1w2q h ARG 100 N 0.20 0.16 -0.50 1.90 3.08 0.16 -1.32 114.38 118.05 1w2q h ARG 100 Ca 0.03 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1w2q h ARG 100 Cb 0.56 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1w2q h ARG 100 CO 0.04 0.64 -0.14 0.93 -1.07 0.00 0.00 179.97 180.37 1w2q h GLU 101 N -0.31 0.98 -0.80 0.04 5.08 -0.16 -2.70 114.58 116.72 1w2q h GLU 101 Ca 0.01 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1w2q h GLU 101 Cb 0.62 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 1w2q h GLU 101 CO 0.02 1.05 0.52 -0.07 -1.00 0.00 0.00 179.01 179.54 1w2q h LEU 102 N 0.84 0.83 -1.74 1.33 4.07 -0.27 0.24 115.31 120.61 1w2q h LEU 102 Ca 0.12 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.13 1w2q h LEU 102 Cb 0.70 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 1w2q h LEU 102 CO 0.05 0.57 0.28 0.24 -1.08 0.00 0.00 178.44 178.50 1w2q h MET 103 N 0.96 0.31 0.00 1.13 2.86 -0.89 -0.46 114.93 118.85 1w2q h MET 103 Ca 0.32 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.76 1w2q h MET 103 Cb 0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1w2q h MET 103 CO -0.10 0.21 -0.94 0.77 1.06 0.00 0.00 176.91 177.91 1w2q h SER 104 N 0.32 0.00 -0.77 1.22 0.02 -0.97 -3.32 113.55 110.04 1w2q h SER 104 Ca 0.18 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.28 1w2q h SER 104 Cb 0.30 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.70 1w2q h SER 104 CO -0.04 0.83 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.21 1w2q h LEU 105 N 0.00 -0.71 0.00 5.07 3.38 -0.04 2.00 115.31 125.01 1w2q h LEU 105 Ca -0.04 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1w2q h LEU 105 Cb 1.67 0.48 0.00 0.00 0.09 0.00 0.00 40.66 42.89 1w2q h LEU 105 CO 0.10 -0.25 0.00 -0.81 0.09 0.00 0.00 178.44 177.57 1w2q n PRO 106 N -5.51 0.09 -0.13 1.13 -0.04 -1.24 -2.93 135.00 126.39 1w2q n PRO 106 Ca 0.11 0.22 -0.26 0.00 -0.04 0.00 0.00 63.50 63.53 1w2q n PRO 106 Cb 0.39 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.39 0.60 -0.31 0.54 6.02 0.64 -2.20 117.38 121.28 1w2q n GLN 107 Ca 0.05 0.28 0.34 0.00 -0.01 0.00 0.00 57.00 57.67 1w2q n GLN 107 Cb 0.12 -1.54 0.61 0.00 1.02 0.00 0.00 30.24 30.46 1w2q n GLN 107 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1w2q h GLN 108 N -0.78 0.00 0.00 -1.09 4.20 -0.35 2.11 115.11 119.20 1w2q h GLN 108 Ca -0.63 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.08 1w2q h GLN 108 Cb 1.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.42 1w2q h GLN 108 CO -0.32 0.00 -1.11 0.00 -0.67 0.00 0.00 178.83 176.74 1w2q n ASN 110 N -1.61 -4.41 -0.01 0.00 3.02 0.71 -4.87 115.26 108.09 1w2q n ASN 110 Ca 0.01 -0.21 0.05 0.00 -0.03 0.00 0.00 54.58 54.40 1w2q n ASN 110 Cb 0.33 -3.22 0.28 0.00 -0.61 0.00 0.00 39.78 36.56 1w2q n ASN 110 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1w2q n PHE 111 N -4.02 0.01 -0.51 3.10 3.72 -0.94 -4.10 117.46 114.73 1w2q n PHE 111 Ca -0.05 -0.00 0.42 0.00 -0.05 0.00 0.00 57.45 57.76 1w2q n PHE 111 Cb 0.57 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 39.81 1w2q n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1w2q h ARG 112 N 0.04 0.04 -1.96 -1.08 3.08 -1.90 -3.46 114.38 109.15 1w2q h ARG 112 Ca 0.00 -0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 1w2q h ARG 112 Cb 0.01 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1w2q h ARG 112 CO 0.00 0.03 -0.36 0.00 -1.07 0.00 0.00 179.97 178.56 1w2q n ALA 113 N -2.64 -2.97 1.09 0.04 0.00 -1.26 -3.57 120.51 111.20 1w2q n ALA 113 Ca 0.39 0.30 0.09 0.00 0.00 0.00 0.00 53.44 54.22 1w2q n ALA 113 Cb 1.60 -0.97 0.52 0.00 0.00 0.00 0.00 19.45 20.60 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 -2.81 0.55 -5.00 0.00 -0.04 -1.26 -4.63 135.00 121.80 1w2q n PRO 114 Ca -0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1w2q n PRO 114 Cb 0.60 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.01 2.40 0.42 0.54 -0.21 -1.23 -5.00 119.66 114.57 1w2q s GLN 115 Ca 0.26 -0.72 0.17 0.00 0.02 0.00 0.00 55.36 55.09 1w2q s GLN 115 Cb 0.12 -1.92 1.06 0.00 1.00 0.00 0.00 33.01 33.27 1w2q s GLN 115 CO 0.20 0.19 1.87 0.00 -2.12 0.00 0.00 175.29 175.43 1w2q h ARG 116 N 6.58 0.41 -6.73 2.91 3.08 -1.82 -3.45 114.38 115.36 1w2q h ARG 116 Ca -0.26 -0.02 -0.55 0.00 0.07 0.00 0.00 59.98 59.21 1w2q h ARG 116 Cb 1.20 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 31.04 1w2q h ARG 116 CO 0.47 0.27 -0.91 0.00 -1.07 0.00 0.00 179.97 178.73 1w2q s ASP 118 N -4.29 5.98 -0.05 0.00 1.01 -1.26 -4.86 116.67 113.20 1w2q s ASP 118 Ca 0.06 2.90 -0.16 0.00 0.71 0.00 0.00 52.55 56.07 1w2q s ASP 118 Cb -0.04 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.19 1w2q s ASP 118 CO 0.93 -1.10 0.42 -0.76 0.21 0.00 0.00 175.17 174.87 1w2q s LEU 119 N -2.62 4.39 0.36 1.23 1.02 -1.26 -4.96 118.68 116.84 1w2q s LEU 119 Ca 0.60 0.88 0.04 0.00 0.02 0.00 0.00 54.13 55.66 1w2q s LEU 119 Cb -0.43 -2.61 0.68 0.00 0.02 0.00 0.00 46.19 43.85 1w2q s LEU 119 CO 0.56 0.20 2.00 0.44 0.02 0.00 0.00 176.35 179.57 1w2q h ASP 120 N 5.54 0.69 -3.17 2.29 3.32 -1.98 -3.44 116.42 119.66 1w2q h ASP 120 Ca -0.47 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1w2q h ASP 120 Cb 1.20 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1w2q h ASP 120 CO 0.67 0.49 -0.14 0.52 -1.72 0.00 0.00 179.24 179.05 1w2q n VAL 121 N -4.45 -0.17 0.27 -1.35 0.31 -1.26 -4.72 118.33 106.96 1w2q n VAL 121 Ca 0.07 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.54 1w2q n VAL 121 Cb 0.09 -0.78 0.77 0.00 -0.91 0.00 0.00 33.84 33.01 1w2q n VAL 121 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1w2q h SER 122 N 0.00 0.00 0.00 4.52 4.64 -2.04 -3.46 113.55 117.21 1w2q h SER 122 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1w2q h SER 122 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1w2q h SER 122 CO 0.19 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 1w2q n GLY 123 N -0.74 3.07 7.00 -0.77 0.00 -1.26 -4.91 105.19 107.58 1w2q n GLY 123 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1w2q n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2q n GLY 124 N 0.00 1.65 0.43 -0.02 0.00 -1.26 -3.56 105.19 102.43 1w2q n GLY 124 Ca 0.00 -0.05 0.24 0.00 0.00 0.00 0.00 46.02 46.21 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 0.23 0.17 1.61 3.08 -2.04 -1.99 114.38 115.43 1w2q h ARG 125 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1w2q h ARG 125 Cb 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1w2q h ARG 125 CO 0.00 0.15 -0.40 0.00 -1.07 0.00 0.00 179.97 178.65