#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 3.63 0.03 1.61 0.04 -1.26 -5.05 135.00 134.00 1w2q s PRO 2 Ca 0.00 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.72 1w2q s PRO 2 Cb 0.00 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1w2q s PRO 2 CO 0.00 -0.63 0.05 -1.64 0.04 0.00 0.00 177.00 174.81 1w2q s MET 3 N -2.95 2.87 0.38 4.56 -1.94 -1.26 -5.00 119.30 115.97 1w2q s MET 3 Ca 0.67 -0.62 0.05 0.00 -1.71 0.00 0.00 55.69 54.08 1w2q s MET 3 Cb -0.25 -2.73 0.75 0.00 2.01 0.00 0.00 34.83 34.61 1w2q s MET 3 CO 0.30 0.61 2.03 0.00 -0.01 0.00 0.00 175.02 177.95 1w2q h ARG 4 N 3.88 0.67 -4.80 2.03 2.47 -2.04 -3.40 114.38 113.19 1w2q h ARG 4 Ca -0.48 -0.04 -0.58 0.00 -1.26 0.00 0.00 59.98 57.62 1w2q h ARG 4 Cb 1.17 -0.15 -0.34 0.00 -1.65 0.00 0.00 29.97 29.01 1w2q h ARG 4 CO 0.62 0.45 -0.84 0.50 0.56 0.00 0.00 179.97 181.26 1w2q s ARG 5 N -5.59 2.19 0.26 0.04 6.06 -1.26 -5.01 118.95 115.65 1w2q s ARG 5 Ca -0.09 -0.57 -0.01 0.00 -2.50 0.00 0.00 55.73 52.56 1w2q s ARG 5 Cb 0.17 -1.78 0.35 0.00 0.06 0.00 0.00 34.95 33.75 1w2q s ARG 5 CO 0.75 0.03 1.74 0.93 -2.50 0.00 0.00 175.30 176.24 1w2q h GLU 6 N 7.08 0.70 -0.88 5.12 5.08 -2.03 -2.72 114.58 126.93 1w2q h GLU 6 Ca -0.28 -0.22 0.15 0.00 -1.00 0.00 0.00 59.36 58.01 1w2q h GLU 6 Cb 1.19 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 1w2q h GLU 6 CO 0.48 0.78 0.48 -0.09 -1.00 0.00 0.00 179.01 179.66 1w2q h ARG 7 N 0.64 0.67 0.00 2.33 2.43 -1.97 -3.47 114.38 115.01 1w2q h ARG 7 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1w2q h ARG 7 Cb 0.54 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1w2q h ARG 7 CO 0.03 0.45 0.00 0.41 -1.51 0.00 0.00 179.97 179.35 1w2q n GLY 8 N -1.33 -0.50 3.34 2.80 0.00 -1.03 -4.86 105.19 103.62 1w2q n GLY 8 Ca 0.18 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 1.28 0.05 1.61 0.52 -1.26 -5.06 118.95 116.09 1w2q s ARG 9 Ca 0.00 -1.30 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 1w2q s ARG 9 Cb 0.00 -1.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 1w2q s ARG 9 CO 0.00 0.36 0.06 -0.65 0.02 0.00 0.00 175.30 175.09 1w2q s GLN 10 N -2.19 2.87 0.01 3.54 -0.21 -1.26 -5.09 119.66 117.32 1w2q s GLN 10 Ca 0.12 -0.66 -0.03 0.00 0.02 0.00 0.00 55.36 54.81 1w2q s GLN 10 Cb -0.09 -2.73 0.01 0.00 1.00 0.00 0.00 33.01 31.21 1w2q s GLN 10 CO 0.06 0.59 0.15 0.41 -2.12 0.00 0.00 175.29 174.38 1w2q n GLY 11 N 0.73 0.82 0.29 3.09 0.00 -1.26 -4.99 105.19 103.87 1w2q n GLY 11 Ca -0.10 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 0.26 0.22 -2.98 1.61 3.32 -2.10 -3.43 116.42 113.33 1w2q h ASP 12 Ca -0.03 -0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.43 1w2q h ASP 12 Cb 0.15 -0.05 0.17 0.00 0.22 0.00 0.00 39.33 39.82 1w2q h ASP 12 CO 0.04 0.16 -0.38 -1.20 -1.72 0.00 0.00 179.24 176.14 1w2q n SER 13 N -4.50 -1.00 -3.92 6.45 7.64 -1.26 -4.99 113.62 112.04 1w2q n SER 13 Ca 0.01 0.74 -0.11 0.00 1.01 0.00 0.00 58.87 60.52 1w2q n SER 13 Cb 0.11 -1.18 -0.06 0.00 -1.01 0.00 0.00 64.21 62.07 1w2q n SER 13 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1w2q s SER 14 N -1.18 0.12 -0.05 6.43 1.04 -1.26 -5.10 113.70 113.70 1w2q s SER 14 Ca 0.69 -1.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 1w2q s SER 14 Cb -0.44 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1w2q s SER 14 CO 0.54 -1.11 -0.00 -0.44 0.98 0.00 0.00 173.24 173.21 1w2q s SER 15 N -3.08 5.13 0.45 7.02 0.01 -1.26 -4.99 113.70 116.97 1w2q s SER 15 Ca 0.27 0.06 0.16 0.00 1.31 0.00 0.00 55.95 57.75 1w2q s SER 15 Cb 0.01 -1.38 1.09 0.00 0.21 0.00 0.00 66.02 65.95 1w2q s SER 15 CO 0.11 0.33 1.96 0.00 0.41 0.00 0.00 173.24 176.06 1w2q h GLU 17 N 0.35 0.01 0.00 0.00 4.81 -2.02 1.42 114.58 119.14 1w2q h GLU 17 Ca 0.30 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1w2q h GLU 17 Cb 0.70 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1w2q h GLU 17 CO -0.08 0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 178.20 1w2q h ARG 18 N 0.01 0.00 0.00 1.92 3.08 -1.46 0.12 114.38 118.04 1w2q h ARG 18 Ca 0.68 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.64 1w2q h ARG 18 Cb 2.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.76 1w2q h ARG 18 CO -0.01 0.00 -0.43 1.96 -1.07 0.00 0.00 179.97 180.42 1w2q h GLN 19 N 0.00 0.00 -0.56 0.04 4.20 0.18 -2.74 115.11 116.23 1w2q h GLN 19 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1w2q h GLN 19 Cb 0.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1w2q h GLN 19 CO 0.00 0.43 0.37 0.28 -0.67 0.00 0.00 178.83 179.25 1w2q h VAL 20 N 0.00 1.13 0.00 -0.54 2.07 -1.04 0.84 116.25 118.72 1w2q h VAL 20 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1w2q h VAL 20 Cb 0.82 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1w2q h VAL 20 CO 0.06 0.13 0.12 0.44 0.02 0.00 0.00 177.57 178.34 1w2q h ASP 21 N 0.74 0.00 -0.04 0.57 3.32 -1.55 0.47 116.42 119.93 1w2q h ASP 21 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1w2q h ASP 21 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1w2q h ASP 21 CO -0.05 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.01 1w2q n ARG 22 N -2.44 1.46 0.00 3.56 1.74 0.28 -4.78 116.66 116.48 1w2q n ARG 22 Ca -0.02 -1.56 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 1w2q n ARG 22 Cb 0.16 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 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 0.98 0.00 -3.70 1.55 0.31 0.16 -4.83 118.33 112.81 1w2q n VAL 23 Ca 0.10 0.48 -0.22 0.00 -0.01 0.00 0.00 64.34 64.70 1w2q n VAL 23 Cb 0.44 -1.29 0.04 0.00 -0.91 0.00 0.00 33.84 32.12 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 0.00 -1.53 -2.58 4.52 5.15 -1.26 -4.86 115.26 114.69 1w2q n ASN 24 Ca 0.00 -0.80 -0.37 0.00 -0.60 0.00 0.00 54.58 52.81 1w2q n ASN 24 Cb 0.00 -4.12 0.06 0.00 -0.53 0.00 0.00 39.78 35.19 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 -4.30 7.61 -0.31 1.20 4.77 -1.26 -4.66 117.00 120.05 1w2q n LEU 25 Ca -0.27 -4.54 -0.04 0.00 -0.03 0.00 0.00 56.01 51.14 1w2q n LEU 25 Cb 0.67 -1.01 0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1w2q n LEU 25 CO 0.68 1.60 1.22 0.11 -1.33 0.00 0.00 177.39 179.68 1w2q h LYS 26 N 2.44 1.11 -0.27 3.23 1.57 -1.98 -2.55 116.57 120.12 1w2q h LYS 26 Ca 0.59 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 59.18 1w2q h LYS 26 Cb 0.47 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1w2q h LYS 26 CO 1.52 0.74 -0.31 -1.00 -0.57 0.00 0.00 179.45 179.84 1w2q h PRO 27 N 1.14 0.57 0.09 3.15 0.13 -1.97 -0.12 132.00 134.98 1w2q h PRO 27 Ca 0.31 -0.25 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1w2q h PRO 27 Cb -0.12 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.00 1w2q h PRO 27 CO -0.06 0.81 -0.04 0.00 -0.23 0.00 0.00 178.00 178.47 1w2q h GLU 29 N -0.13 0.90 -0.10 0.00 4.11 -1.46 -2.45 114.58 115.43 1w2q h GLU 29 Ca -0.01 -0.46 0.03 0.00 0.07 0.00 0.00 59.36 58.98 1w2q h GLU 29 Cb 0.10 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1w2q h GLU 29 CO 0.02 1.11 0.10 1.96 0.07 0.00 0.00 179.01 182.27 1w2q h GLN 30 N 0.74 0.00 0.10 1.06 4.20 -0.71 0.23 115.11 120.73 1w2q h GLN 30 Ca 0.06 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.54 1w2q h GLN 30 Cb 0.96 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.76 1w2q h GLN 30 CO 0.09 0.00 -0.98 1.12 -0.67 0.00 0.00 178.83 178.39 1w2q h HIS 31 N 0.00 0.79 -0.53 2.96 2.07 -0.59 -2.44 115.15 117.41 1w2q h HIS 31 Ca 0.05 -0.50 -0.11 0.00 -2.85 0.00 0.00 60.37 56.96 1w2q h HIS 31 Cb 0.25 -0.06 -0.02 0.00 2.57 0.00 0.00 27.41 30.15 1w2q h HIS 31 CO 0.00 1.36 -0.08 0.82 -3.07 0.00 0.00 177.93 176.96 1w2q h ILE 32 N 0.00 1.26 -0.43 6.12 2.04 -0.82 -2.45 117.51 123.24 1w2q h ILE 32 Ca -0.15 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.43 1w2q h ILE 32 Cb 1.71 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1w2q h ILE 32 CO 0.19 0.43 0.01 0.24 0.00 0.00 0.00 178.15 179.02 1w2q h MET 33 N 0.88 0.68 -0.29 2.37 2.86 -0.66 -2.10 114.93 118.67 1w2q h MET 33 Ca 0.14 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1w2q h MET 33 Cb 0.63 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1w2q h MET 33 CO 0.04 0.69 0.09 0.37 1.06 0.00 0.00 176.91 179.17 1w2q h GLN 34 N 0.65 0.45 0.22 1.72 4.15 -1.05 -1.35 115.11 119.90 1w2q h GLN 34 Ca 0.13 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1w2q h GLN 34 Cb 0.38 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1w2q h GLN 34 CO 0.01 0.50 -0.11 0.00 -1.93 0.00 0.00 178.83 177.31 1w2q h ARG 35 N 0.31 -0.29 -0.80 1.69 3.08 -1.16 -0.20 114.38 117.01 1w2q h ARG 35 Ca 0.09 0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.40 1w2q h ARG 35 Cb 0.24 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1w2q h ARG 35 CO -0.00 -0.19 0.87 -0.84 -1.07 0.00 0.00 179.97 178.73 1w2q h ILE 36 N -0.33 0.18 0.00 2.04 3.07 -1.46 2.34 117.51 123.35 1w2q h ILE 36 Ca -0.03 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.36 1w2q h ILE 36 Cb 0.23 0.31 -0.00 0.00 -0.27 0.00 0.00 36.82 37.09 1w2q h ILE 36 CO 0.05 0.00 -0.39 0.24 -1.05 0.00 0.00 178.15 177.00 1w2q h MET 37 N 0.00 0.00 0.00 0.16 2.86 -0.74 -3.18 114.93 114.04 1w2q h MET 37 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1w2q h MET 37 Cb 2.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.77 1w2q h MET 37 CO -0.00 0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.46 1w2q n GLY 38 N 1.15 -1.38 0.15 8.32 0.00 0.79 -2.71 105.19 111.51 1w2q n GLY 38 Ca 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.67 1.61 5.08 -1.51 -3.44 114.58 109.65 1w2q h GLU 39 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1w2q h GLU 39 Cb 0.47 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.75 1w2q h GLU 39 CO 0.00 0.55 0.64 -0.65 -1.00 0.00 0.00 179.01 178.55 1w2q s GLN 40 N -3.42 4.40 0.46 2.33 -0.21 -1.10 -4.89 119.66 117.25 1w2q s GLN 40 Ca 0.00 2.03 0.30 0.00 0.02 0.00 0.00 55.36 57.71 1w2q s GLN 40 Cb 0.11 -3.20 1.20 0.00 1.00 0.00 0.00 33.01 32.12 1w2q s GLN 40 CO 0.74 -0.23 1.89 0.93 -2.12 0.00 0.00 175.29 176.50 1w2q h GLU 41 N 5.37 0.00 -1.04 2.91 5.08 -1.89 -3.13 114.58 121.88 1w2q h GLU 41 Ca -0.45 0.00 0.34 0.00 -1.00 0.00 0.00 59.36 58.26 1w2q h GLU 41 Cb 1.21 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 1w2q h GLU 41 CO 0.77 0.00 0.61 0.37 -1.00 0.00 0.00 179.01 179.76 1w2q h GLN 42 N 0.00 0.26 -6.23 2.33 5.75 -1.93 -3.37 115.11 111.92 1w2q h GLN 42 Ca 0.00 -0.02 -0.69 0.00 -0.15 0.00 0.00 58.65 57.79 1w2q h GLN 42 Cb 0.51 -0.06 -0.27 0.00 1.07 0.00 0.00 27.48 28.73 1w2q h GLN 42 CO 0.00 0.17 -0.83 0.71 -2.65 0.00 0.00 178.83 176.24 1w2q s TYR 43 N -5.60 2.55 0.08 3.99 2.02 -1.18 -5.10 117.35 114.11 1w2q s TYR 43 Ca -0.10 -0.41 -0.28 0.00 -0.37 0.00 0.00 57.07 55.91 1w2q s TYR 43 Cb 0.30 -1.61 -0.06 0.00 -0.40 0.00 0.00 41.96 40.20 1w2q s TYR 43 CO 0.79 -0.00 0.90 -0.51 -1.57 0.00 0.00 175.55 175.16 1w2q s ASP 44 N -0.47 7.40 0.41 2.29 1.01 -1.26 -4.86 116.67 121.20 1w2q s ASP 44 Ca 0.05 1.68 0.08 0.00 0.71 0.00 0.00 52.55 55.07 1w2q s ASP 44 Cb -0.12 -2.55 0.86 0.00 1.01 0.00 0.00 42.92 42.12 1w2q s ASP 44 CO 0.01 -0.05 2.01 0.28 0.21 0.00 0.00 175.17 177.63 1w2q h SER 45 N 5.67 0.36 -0.63 0.27 0.02 -1.92 -1.78 113.55 115.55 1w2q h SER 45 Ca -0.43 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 1w2q h SER 45 Cb 1.21 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1w2q h SER 45 CO 0.72 0.34 0.31 1.88 -1.14 0.00 0.00 176.83 178.93 1w2q h TYR 46 N 0.41 0.92 -0.90 3.45 0.05 -2.00 -2.06 116.97 116.84 1w2q h TYR 46 Ca 0.10 -0.04 0.12 0.00 0.05 0.00 0.00 58.73 58.96 1w2q h TYR 46 Cb 0.10 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 37.48 1w2q h TYR 46 CO 0.00 0.68 0.58 -0.44 -1.05 0.00 0.00 178.16 177.93 1w2q h ASP 47 N 0.92 0.76 0.11 3.88 3.32 -1.71 0.15 116.42 123.84 1w2q h ASP 47 Ca 0.23 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1w2q h ASP 47 Cb 0.11 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1w2q h ASP 47 CO -0.03 0.42 -0.16 0.40 -1.72 0.00 0.00 179.24 178.15 1w2q h ILE 48 N 0.82 1.15 -0.72 0.35 2.04 -1.41 -2.05 117.51 117.69 1w2q h ILE 48 Ca 0.43 -0.69 0.19 0.00 1.00 0.00 0.00 64.86 65.79 1w2q h ILE 48 Cb 0.53 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1w2q h ILE 48 CO -0.20 0.21 0.50 0.03 0.00 0.00 0.00 178.15 178.69 1w2q h ARG 49 N 0.10 0.13 -0.95 2.37 3.08 -0.68 0.85 114.38 119.27 1w2q h ARG 49 Ca 0.02 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.26 1w2q h ARG 49 Cb 0.34 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 1w2q h ARG 49 CO 0.02 0.09 0.61 0.77 -1.07 0.00 0.00 179.97 180.39 1w2q h SER 50 N 0.14 0.58 -3.21 7.04 0.02 -1.43 -3.41 113.55 113.28 1w2q h SER 50 Ca 0.35 0.06 -0.55 0.00 -0.84 0.00 0.00 61.79 60.81 1w2q h SER 50 Cb 1.18 -0.04 -0.17 0.00 0.14 0.00 0.00 62.40 63.51 1w2q h SER 50 CO -0.05 0.22 -0.78 0.42 -1.14 0.00 0.00 176.83 175.50 1w2q s THR 51 N -5.62 2.03 -0.01 -2.27 -4.23 0.29 -5.15 115.64 100.69 1w2q s THR 51 Ca -0.10 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.37 1w2q s THR 51 Cb 0.24 -2.01 -0.00 0.00 1.34 0.00 0.00 72.50 72.07 1w2q s THR 51 CO 0.79 -0.33 -0.07 -0.13 -0.54 0.00 0.00 174.62 174.35 1w2q s ARG 52 N -3.00 0.58 0.00 3.99 0.52 -1.26 -4.89 118.95 114.89 1w2q s ARG 52 Ca 0.20 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1w2q s ARG 52 Cb -0.05 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.85 1w2q s ARG 52 CO 0.09 0.13 0.55 0.45 0.02 0.00 0.00 175.30 176.54 1w2q n SER 53 N 2.99 0.00 0.24 0.23 2.88 -1.26 -4.88 113.62 113.82 1w2q n SER 53 Ca -0.14 -1.30 0.07 0.00 -1.33 0.00 0.00 58.87 56.17 1w2q n SER 53 Cb 0.57 -0.06 0.57 0.00 -0.75 0.00 0.00 64.21 64.54 1w2q n SER 53 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1w2q h SER 54 N 0.00 0.00 -0.22 -3.46 0.02 -2.01 -1.29 113.55 106.59 1w2q h SER 54 Ca 0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1w2q h SER 54 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1w2q h SER 54 CO 0.00 0.11 0.16 0.44 -1.14 0.00 0.00 176.83 176.41 1w2q h ASP 55 N 0.00 0.00 0.21 3.07 3.32 -2.00 -2.15 116.42 118.87 1w2q h ASP 55 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1w2q h ASP 55 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1w2q h ASP 55 CO 0.01 0.00 -0.10 -0.61 -1.72 0.00 0.00 179.24 176.82 1w2q h GLN 56 N 0.00 -0.27 -0.78 3.56 4.15 -1.62 -2.85 115.11 117.30 1w2q h GLN 56 Ca 0.10 0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.72 1w2q h GLN 56 Cb 0.43 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 1w2q h GLN 56 CO -0.00 0.08 0.53 0.37 -1.93 0.00 0.00 178.83 177.88 1w2q h GLN 57 N -0.67 0.27 -0.35 1.69 4.15 -1.48 0.31 115.11 119.03 1w2q h GLN 57 Ca -0.03 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1w2q h GLN 57 Cb 0.47 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1w2q h GLN 57 CO 0.05 0.18 0.18 1.96 -1.93 0.00 0.00 178.83 179.26 1w2q h GLN 58 N 0.28 0.48 -0.09 1.69 4.20 -1.21 -2.64 115.11 117.82 1w2q h GLN 58 Ca 0.39 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 1w2q h GLN 58 Cb 1.10 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 1w2q h GLN 58 CO -0.10 0.37 -0.04 0.00 -0.67 0.00 0.00 178.83 178.39 1w2q h ARG 59 N 0.48 0.18 0.00 1.46 3.08 -0.30 -1.99 114.38 117.30 1w2q h ARG 59 Ca 0.12 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1w2q h ARG 59 Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1w2q h ARG 59 CO -0.02 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.42 1w2q h ASP 62 N 0.20 0.78 0.12 0.00 3.32 0.14 -0.03 116.42 120.94 1w2q h ASP 62 Ca 0.76 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.83 1w2q h ASP 62 Cb 1.82 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.24 1w2q h ASP 62 CO -0.68 0.43 -0.06 -0.08 -1.72 0.00 0.00 179.24 177.14 1w2q h GLU 63 N 0.85 -0.16 0.00 3.56 4.81 1.13 -2.25 114.58 122.51 1w2q h GLU 63 Ca 0.43 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1w2q h GLU 63 Cb 0.51 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1w2q h GLU 63 CO -0.20 0.19 0.00 1.28 -0.73 0.00 0.00 179.01 179.55 1w2q n LEU 64 N -5.00 0.31 0.11 1.64 4.77 -0.75 -0.87 117.00 117.21 1w2q n LEU 64 Ca -0.09 0.64 -0.04 0.00 -0.03 0.00 0.00 56.01 56.49 1w2q n LEU 64 Cb 0.22 -0.67 0.07 0.00 -2.33 0.00 0.00 43.42 40.72 1w2q n LEU 64 CO 0.32 -0.72 0.38 -1.13 -1.33 0.00 0.00 177.39 174.90 1w2q h ASN 65 N 0.00 0.07 0.12 -1.43 -1.24 -0.40 -3.29 115.58 109.41 1w2q h ASN 65 Ca 0.00 -0.05 -0.28 0.00 0.71 0.00 0.00 56.30 56.68 1w2q h ASN 65 Cb 0.02 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1w2q h ASN 65 CO 0.00 0.78 -1.44 -0.33 -1.29 0.00 0.00 177.43 175.15 1w2q h GLU 66 N 0.04 0.26 -2.44 6.67 5.08 -1.00 -3.35 114.58 119.83 1w2q h GLU 66 Ca -0.01 -0.44 -0.42 0.00 -1.00 0.00 0.00 59.36 57.49 1w2q h GLU 66 Cb 1.31 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 1w2q h GLU 66 CO 0.10 1.21 1.50 -1.33 -1.00 0.00 0.00 179.01 179.50 1w2q n MET 67 N -3.89 2.81 0.06 2.33 2.81 -1.03 -4.62 117.12 115.59 1w2q n MET 67 Ca -0.25 -1.63 0.20 0.00 -1.81 0.00 0.00 57.70 54.21 1w2q n MET 67 Cb 0.92 -2.36 0.56 0.00 -0.71 0.00 0.00 33.22 31.63 1w2q n MET 67 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1w2q h GLU 68 N 3.88 0.00 0.00 0.03 5.08 -1.71 1.06 114.58 122.93 1w2q h GLU 68 Ca 0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.84 1w2q h GLU 68 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1w2q h GLU 68 CO 0.94 0.00 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.93 1w2q h ASN 69 N 0.00 0.00 0.69 1.42 2.35 -1.90 -0.53 115.58 117.61 1w2q h ASN 69 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1w2q h ASN 69 Cb 1.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.12 1w2q h ASN 69 CO -0.00 0.11 0.00 1.07 -1.65 0.00 0.00 177.43 176.96 1w2q n THR 70 N -3.66 0.10 1.02 2.81 5.66 0.37 -3.03 114.28 117.54 1w2q n THR 70 Ca -0.02 0.03 0.10 0.00 -3.05 0.00 0.00 64.05 61.11 1w2q n THR 70 Cb 0.23 -0.56 0.53 0.00 -1.55 0.00 0.00 70.33 68.97 1w2q n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1w2q n GLN 71 N -1.37 0.36 0.00 1.09 6.02 -0.21 -2.24 117.38 121.04 1w2q n GLN 71 Ca 0.11 0.08 0.13 0.00 -0.01 0.00 0.00 57.00 57.31 1w2q n GLN 71 Cb 0.26 -1.50 0.46 0.00 1.02 0.00 0.00 30.24 30.48 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 0.38 -0.76 1.35 1.08 0.00 -1.17 -4.04 105.19 102.03 1w2q n GLY 72 Ca 0.11 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 0.74 0.13 -0.74 0.00 2.07 -1.66 0.29 114.93 115.76 1w2q h MET 74 Ca -0.29 -0.01 0.11 0.00 -2.07 0.00 0.00 59.70 57.44 1w2q h MET 74 Cb 1.77 -0.03 -0.08 0.00 -1.87 0.00 0.00 31.60 31.39 1w2q h MET 74 CO 0.02 0.09 0.36 0.00 1.07 0.00 0.00 176.91 178.44 1w2q h GLU 76 N 0.59 0.00 0.06 0.00 4.81 -0.85 -1.56 114.58 117.62 1w2q h GLU 76 Ca 0.38 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1w2q h GLU 76 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1w2q h GLU 76 CO -0.30 0.02 -0.03 0.00 -0.73 0.00 0.00 179.01 177.98 1w2q h ALA 77 N 1.98 -0.08 -0.92 2.92 0.00 0.83 -2.61 119.26 121.38 1w2q h ALA 77 Ca -0.00 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1w2q h ALA 77 Cb 0.24 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1w2q h ALA 77 CO 0.00 -0.12 0.59 -0.07 0.00 0.00 0.00 179.25 179.66 1w2q h LEU 78 N -0.92 0.99 -0.49 0.00 4.07 -1.13 -1.12 115.31 116.70 1w2q h LEU 78 Ca -0.01 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.98 1w2q h LEU 78 Cb 0.60 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 42.08 1w2q h LEU 78 CO 0.01 0.67 0.27 1.56 -1.08 0.00 0.00 178.44 179.88 1w2q h GLN 79 N 1.15 0.53 -0.25 1.13 4.20 -1.36 -1.63 115.11 118.87 1w2q h GLN 79 Ca 0.37 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 1w2q h GLN 79 Cb 0.02 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1w2q h GLN 79 CO -0.12 0.35 0.14 1.96 -0.67 0.00 0.00 178.83 180.48 1w2q h GLN 80 N 0.54 0.34 -0.10 1.46 1.08 -0.93 -1.96 115.11 115.55 1w2q h GLN 80 Ca 0.20 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.41 1w2q h GLN 80 Cb 0.06 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.36 1w2q h GLN 80 CO -0.11 0.30 -0.36 0.82 -0.95 0.00 0.00 178.83 178.54 1w2q h ILE 81 N 0.29 0.24 -0.48 2.54 2.04 -0.70 0.54 117.51 121.99 1w2q h ILE 81 Ca 0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1w2q h ILE 81 Cb 0.06 0.24 -0.08 0.00 -0.74 0.00 0.00 36.82 36.29 1w2q h ILE 81 CO -0.01 0.00 -0.04 0.24 0.00 0.00 0.00 178.15 178.33 1w2q h MET 82 N -0.45 0.07 0.00 2.37 2.86 -1.12 0.86 114.93 119.53 1w2q h MET 82 Ca 0.08 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1w2q h MET 82 Cb 0.58 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1w2q h MET 82 CO -0.35 0.05 0.00 0.39 1.06 0.00 0.00 176.91 178.05 1w2q n GLU 83 N -5.27 0.05 0.10 1.72 1.02 -0.53 0.16 120.64 117.88 1w2q n GLU 83 Ca 0.05 0.30 0.03 0.00 -0.02 0.00 0.00 57.16 57.51 1w2q n GLU 83 Cb 0.26 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1w2q n GLU 83 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1w2q h ASN 84 N 0.00 0.00 0.00 1.62 2.35 0.60 -3.41 115.58 116.74 1w2q h ASN 84 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1w2q h ASN 84 Cb 0.27 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.51 1w2q h ASN 84 CO 0.00 0.48 -0.25 0.00 -1.65 0.00 0.00 177.43 176.00 1w2q n GLN 85 N -3.06 1.17 -0.02 0.81 6.02 -0.69 -4.93 117.38 116.68 1w2q n GLN 85 Ca -0.02 -1.26 0.13 0.00 -0.01 0.00 0.00 57.00 55.83 1w2q n GLN 85 Cb 0.75 0.25 0.58 0.00 1.02 0.00 0.00 30.24 32.84 1w2q n GLN 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1w2q h ASP 87 N 1.62 0.00 1.41 0.00 3.32 -1.92 1.03 116.42 121.87 1w2q h ASP 87 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1w2q h ASP 87 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1w2q h ASP 87 CO 0.00 0.00 -0.54 0.03 -1.72 0.00 0.00 179.24 177.01 1w2q h ARG 88 N 0.00 0.00 0.00 3.56 3.08 -1.97 -3.24 114.38 115.82 1w2q h ARG 88 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1w2q h ARG 88 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1w2q h ARG 88 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1w2q n LEU 89 N -2.80 0.66 -0.48 3.04 4.77 0.35 -3.07 117.00 119.48 1w2q n LEU 89 Ca 0.02 0.68 0.39 0.00 -0.03 0.00 0.00 56.01 57.07 1w2q n LEU 89 Cb 0.53 -0.60 0.70 0.00 -2.33 0.00 0.00 43.42 41.72 1w2q n LEU 89 CO 0.37 -0.60 1.31 1.56 -1.33 0.00 0.00 177.39 178.70 1w2q h GLN 90 N 0.00 0.08 -6.43 3.23 4.20 -1.60 -3.33 115.11 111.26 1w2q h GLN 90 Ca 0.00 -0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1w2q h GLN 90 Cb 0.33 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1w2q h GLN 90 CO 0.00 0.05 0.37 0.34 -0.67 0.00 0.00 178.83 178.92 1w2q s ASP 91 N -4.52 7.38 0.24 1.46 2.15 -1.17 -4.89 116.67 117.32 1w2q s ASP 91 Ca -0.07 1.69 0.17 0.00 0.43 0.00 0.00 52.55 54.77 1w2q s ASP 91 Cb 0.28 -2.57 0.88 0.00 -0.30 0.00 0.00 42.92 41.21 1w2q s ASP 91 CO 0.84 -0.24 1.51 0.54 -0.17 0.00 0.00 175.17 177.64 1w2q n ARG 92 N 3.75 0.11 0.03 4.34 1.74 -1.26 -2.03 116.66 123.34 1w2q n ARG 92 Ca 0.06 0.59 -0.03 0.00 -0.77 0.00 0.00 57.85 57.70 1w2q n ARG 92 Cb 0.51 -1.84 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1w2q n ARG 92 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1w2q h GLN 93 N 0.00 -0.17 0.47 5.56 4.15 -1.90 -3.23 115.11 119.99 1w2q h GLN 93 Ca 0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1w2q h GLN 93 Cb 0.02 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1w2q h GLN 93 CO 0.00 -0.08 -0.23 1.98 -1.93 0.00 0.00 178.83 178.57 1w2q h MET 94 N -1.04 -0.61 -1.65 1.69 4.05 -1.78 -2.00 114.93 113.59 1w2q h MET 94 Ca -0.02 0.04 0.48 0.00 -0.28 0.00 0.00 59.70 59.92 1w2q h MET 94 Cb 0.17 0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 31.04 1w2q h MET 94 CO 0.03 -0.36 1.31 -0.24 0.23 0.00 0.00 176.91 177.88 1w2q h VAL 95 N -0.72 0.05 0.00 -5.77 3.04 -1.51 0.15 116.25 111.49 1w2q h VAL 95 Ca -0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1w2q h VAL 95 Cb 0.53 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.87 1w2q h VAL 95 CO 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.67 1w2q n GLN 96 N -3.79 0.00 -0.34 4.17 6.02 -0.76 -2.00 117.38 120.68 1w2q n GLN 96 Ca 0.37 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.51 1w2q n GLN 96 Cb 1.81 -0.35 0.29 0.00 1.02 0.00 0.00 30.24 33.01 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 -0.28 -0.08 -0.21 -1.09 6.02 -1.05 0.18 117.38 120.88 1w2q n GLN 97 Ca 0.00 1.46 -0.03 0.00 -0.01 0.00 0.00 57.00 58.42 1w2q n GLN 97 Cb 0.00 -2.33 0.08 0.00 1.02 0.00 0.00 30.24 29.01 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 0.65 -0.72 1.08 3.57 -0.86 0.60 116.94 121.25 1w2q h PHE 98 Ca 0.60 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 62.06 1w2q h PHE 98 Cb 1.25 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1w2q h PHE 98 CO -0.49 0.33 0.22 -0.22 -2.23 0.00 0.00 178.31 175.93 1w2q h LYS 99 N 0.67 1.11 0.07 1.11 3.64 0.26 1.18 116.57 124.61 1w2q h LYS 99 Ca 0.27 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1w2q h LYS 99 Cb 0.12 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1w2q h LYS 99 CO -0.15 0.95 -0.03 0.00 -2.27 0.00 0.00 179.45 177.94 1w2q h ARG 100 N 1.07 -0.09 -0.67 1.90 3.08 0.40 -1.92 114.38 118.15 1w2q h ARG 100 Ca 0.23 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 1w2q h ARG 100 Cb 0.30 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1w2q h ARG 100 CO -0.01 0.25 0.15 1.49 -1.07 0.00 0.00 179.97 180.78 1w2q h GLU 101 N -0.45 1.08 -0.54 0.04 4.57 0.32 -1.63 114.58 117.97 1w2q h GLU 101 Ca -0.01 -0.27 0.14 0.00 -1.18 0.00 0.00 59.36 58.04 1w2q h GLU 101 Cb 0.39 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1w2q h GLU 101 CO 0.02 0.97 0.38 -0.07 -1.18 0.00 0.00 179.01 179.13 1w2q h LEU 102 N 1.01 0.08 -0.79 1.64 3.38 0.15 0.21 115.31 120.99 1w2q h LEU 102 Ca 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1w2q h LEU 102 Cb 0.39 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1w2q h LEU 102 CO 0.01 0.04 -0.09 0.24 0.09 0.00 0.00 178.44 178.73 1w2q h MET 103 N 0.08 0.82 0.00 1.13 2.86 -0.46 -2.85 114.93 116.51 1w2q h MET 103 Ca 0.26 -0.27 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 1w2q h MET 103 Cb 0.91 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1w2q h MET 103 CO -0.02 0.88 -1.04 1.03 1.06 0.00 0.00 176.91 178.81 1w2q h SER 104 N 0.74 0.01 -0.91 1.22 0.87 -0.67 -3.32 113.55 111.49 1w2q h SER 104 Ca 0.13 -0.01 0.18 0.00 -1.23 0.00 0.00 61.79 60.86 1w2q h SER 104 Cb 0.58 -0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.37 1w2q h SER 104 CO 0.04 1.01 -0.23 0.25 -0.53 0.00 0.00 176.83 177.37 1w2q h LEU 105 N 0.00 -0.85 0.00 2.23 5.85 -0.56 2.46 115.31 124.45 1w2q h LEU 105 Ca -0.03 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1w2q h LEU 105 Cb 1.79 0.56 0.00 0.00 0.37 0.00 0.00 40.66 43.38 1w2q h LEU 105 CO 0.13 -0.30 0.00 -0.81 -0.34 0.00 0.00 178.44 177.12 1w2q n PRO 106 N -5.58 0.17 -0.11 5.25 -0.04 -1.25 -2.67 135.00 130.77 1w2q n PRO 106 Ca 0.14 0.17 -0.24 0.00 -0.04 0.00 0.00 63.50 63.53 1w2q n PRO 106 Cb 0.46 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.27 0.63 -0.59 0.54 6.02 0.82 -4.10 117.38 119.42 1w2q n GLN 107 Ca 0.05 0.28 0.48 0.00 -0.01 0.00 0.00 57.00 57.80 1w2q n GLN 107 Cb 0.09 -1.57 0.76 0.00 1.02 0.00 0.00 30.24 30.54 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 -0.53 0.00 0.20 -1.09 1.08 -1.00 1.53 115.11 115.29 1w2q h GLN 108 Ca -0.57 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.31 1w2q h GLN 108 Cb 1.72 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 29.17 1w2q h GLN 108 CO -0.21 0.00 -1.43 0.00 -0.95 0.00 0.00 178.83 176.23 1w2q n ASN 110 N -3.63 -2.45 0.00 0.00 2.85 0.52 -5.01 115.26 107.54 1w2q n ASN 110 Ca -0.15 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1w2q n ASN 110 Cb 1.07 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 40.66 1w2q n ASN 110 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1w2q n PHE 111 N -3.70 0.00 -1.91 1.20 3.72 -1.26 -4.96 117.46 110.55 1w2q n PHE 111 Ca -0.05 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.04 1w2q n PHE 111 Cb 0.43 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.00 1w2q n PHE 111 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1w2q s ARG 112 N 0.00 3.35 0.91 -1.08 0.52 -1.26 -5.03 118.95 116.36 1w2q s ARG 112 Ca 0.00 0.63 -0.10 0.00 -0.52 0.00 0.00 55.73 55.73 1w2q s ARG 112 Cb 0.00 -2.08 0.14 0.00 0.52 0.00 0.00 34.95 33.53 1w2q s ARG 112 CO 0.00 -0.71 1.12 0.00 0.02 0.00 0.00 175.30 175.73 1w2q s ALA 113 N -3.22 1.46 -0.84 2.13 0.00 -1.26 -4.82 121.76 115.21 1w2q s ALA 113 Ca 0.56 0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 1w2q s ALA 113 Cb -0.11 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.49 1w2q s ALA 113 CO 0.53 -2.63 1.93 -0.35 0.00 0.00 0.00 175.76 175.23 1w2q n PRO 114 N -4.13 1.54 -4.49 0.00 -0.04 -1.26 -4.90 135.00 121.73 1w2q n PRO 114 Ca 0.10 -1.96 -0.30 0.00 -0.04 0.00 0.00 63.50 61.30 1w2q n PRO 114 Cb 0.53 -3.05 -0.12 0.00 -0.04 0.00 0.00 33.50 30.82 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 5.20 1.95 0.51 0.54 -0.21 -1.26 -5.11 119.66 121.27 1w2q s GLN 115 Ca 0.59 -1.07 -0.21 0.00 0.02 0.00 0.00 55.36 54.69 1w2q s GLN 115 Cb 0.12 -2.16 -0.07 0.00 1.00 0.00 0.00 33.01 31.91 1w2q s GLN 115 CO 0.12 0.51 1.14 1.03 -2.12 0.00 0.00 175.29 175.98 1w2q s ARG 116 N -1.77 3.53 -0.56 2.91 0.52 -1.26 -4.96 118.95 117.35 1w2q s ARG 116 Ca 0.16 1.68 -0.21 0.00 -0.52 0.00 0.00 55.73 56.84 1w2q s ARG 116 Cb -0.11 -2.17 0.06 0.00 0.52 0.00 0.00 34.95 33.25 1w2q s ARG 116 CO 0.08 -0.72 0.80 0.00 0.02 0.00 0.00 175.30 175.48 1w2q h ASP 118 N 9.23 0.00 -0.76 0.00 3.58 -2.05 -2.82 116.42 123.59 1w2q h ASP 118 Ca -0.28 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.29 1w2q h ASP 118 Cb 1.08 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.05 1w2q h ASP 118 CO 1.06 0.20 0.38 -0.07 -2.88 0.00 0.00 179.24 177.93 1w2q h LEU 119 N 0.00 0.47 -1.67 2.28 4.07 -2.03 -3.45 115.31 114.98 1w2q h LEU 119 Ca -0.00 0.08 -0.55 0.00 0.08 0.00 0.00 57.88 57.49 1w2q h LEU 119 Cb 0.49 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 42.08 1w2q h LEU 119 CO 0.03 0.24 -0.89 0.47 -1.08 0.00 0.00 178.44 177.20 1w2q n ASP 120 N -4.88 -1.01 -0.29 -0.43 8.00 -1.07 -4.80 116.55 112.07 1w2q n ASP 120 Ca 0.13 -1.08 -0.03 0.00 0.71 0.00 0.00 54.79 54.53 1w2q n ASP 120 Cb 0.34 -2.60 0.08 0.00 -0.02 0.00 0.00 41.12 38.93 1w2q n ASP 120 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1w2q h VAL 121 N -1.68 1.17 -3.99 2.53 2.07 -1.89 -3.42 116.25 111.04 1w2q h VAL 121 Ca -0.62 -0.36 -0.64 0.00 0.82 0.00 0.00 66.70 65.90 1w2q h VAL 121 Cb 1.38 0.03 -0.23 0.00 -1.52 0.00 0.00 31.29 30.95 1w2q h VAL 121 CO 0.70 0.19 -0.86 -0.44 0.02 0.00 0.00 177.57 177.19 1w2q s SER 122 N -5.89 2.98 0.03 0.57 0.01 -1.26 -5.13 113.70 105.02 1w2q s SER 122 Ca -0.13 -0.69 -0.25 0.00 1.31 0.00 0.00 55.95 56.19 1w2q s SER 122 Cb 0.16 -0.20 0.08 0.00 0.21 0.00 0.00 66.02 66.27 1w2q s SER 122 CO 0.79 0.15 1.16 0.61 0.41 0.00 0.00 173.24 176.35 1w2q n GLY 123 N 1.15 0.33 0.00 3.44 0.00 -1.26 -4.98 105.19 103.88 1w2q n GLY 123 Ca -0.18 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.83 -1.52 0.36 -0.02 0.00 0.16 -4.93 105.19 98.40 1w2q n GLY 124 Ca 0.03 -1.06 0.03 0.00 0.00 0.00 0.00 46.02 45.02 1w2q n GLY 124 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1w2q h ARG 125 N 0.00 1.05 -0.00 1.61 2.43 -2.04 0.17 114.38 117.61 1w2q h ARG 125 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1w2q h ARG 125 Cb 0.00 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1w2q h ARG 125 CO 0.00 0.70 0.01 0.00 -1.51 0.00 0.00 179.97 179.16