#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 -0.70 1.61 0.13 -2.08 -3.07 132.00 127.88 1w2q h PRO 2 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 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 0.46 0.52 -0.23 0.00 0.00 178.00 178.75 1w2q h MET 3 N 0.00 0.76 -0.76 0.86 2.86 -2.08 -0.75 114.93 115.83 1w2q h MET 3 Ca 0.00 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1w2q h MET 3 Cb 0.50 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 1w2q h MET 3 CO 0.00 0.51 0.50 0.00 1.06 0.00 0.00 176.91 178.97 1w2q h ARG 4 N 0.79 0.79 -0.19 1.72 3.08 -2.01 0.15 114.38 118.72 1w2q h ARG 4 Ca 0.29 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.32 1w2q h ARG 4 Cb 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1w2q h ARG 4 CO -0.09 0.53 0.13 0.00 -1.07 0.00 0.00 179.97 179.46 1w2q h ARG 5 N 0.82 0.15 -0.19 0.04 3.08 -1.33 -0.48 114.38 116.46 1w2q h ARG 5 Ca 0.33 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.37 1w2q h ARG 5 Cb 0.23 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1w2q h ARG 5 CO -0.11 0.10 0.13 0.93 -1.07 0.00 0.00 179.97 179.94 1w2q h GLU 6 N 0.15 0.24 -0.94 0.04 5.08 -0.98 -1.75 114.58 116.42 1w2q h GLU 6 Ca 0.08 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.58 1w2q h GLU 6 Cb 0.13 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.23 1w2q h GLU 6 CO -0.01 0.16 0.55 -0.09 -1.00 0.00 0.00 179.01 178.61 1w2q h ARG 7 N 0.24 0.74 -0.47 2.33 2.43 -1.14 0.33 114.38 118.85 1w2q h ARG 7 Ca 0.07 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1w2q h ARG 7 Cb -0.01 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1w2q h ARG 7 CO -0.02 0.49 0.32 0.78 -1.51 0.00 0.00 179.97 180.04 1w2q h GLY 8 N 0.77 0.34 0.92 2.80 0.00 -1.45 0.10 103.07 106.54 1w2q h GLY 8 Ca 0.51 -0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.85 1w2q h GLY 8 CO -0.35 0.07 0.46 -0.09 0.00 0.00 0.00 176.54 176.63 1w2q h ARG 9 N 0.25 0.51 -0.73 4.80 2.43 -0.44 0.35 114.38 121.55 1w2q h ARG 9 Ca 0.22 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.48 1w2q h ARG 9 Cb 0.53 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1w2q h ARG 9 CO -0.04 0.34 0.48 1.96 -1.51 0.00 0.00 179.97 181.20 1w2q h GLN 10 N 0.53 0.50 -0.89 0.20 4.20 -1.02 0.35 115.11 118.98 1w2q h GLN 10 Ca 0.32 -0.03 0.18 0.00 0.06 0.00 0.00 58.65 59.19 1w2q h GLN 10 Cb 0.55 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 1w2q h GLN 10 CO -0.11 0.33 0.58 0.78 -0.67 0.00 0.00 178.83 179.75 1w2q h GLY 11 N 0.51 0.98 -6.05 3.46 0.00 -1.04 -3.45 103.07 97.48 1w2q h GLY 11 Ca 0.35 -0.22 -0.41 0.00 0.00 0.00 0.00 47.33 47.04 1w2q h GLY 11 CO -0.12 0.02 -0.80 1.22 0.00 0.00 0.00 176.54 176.86 1w2q n ASP 12 N -4.53 -2.29 -0.27 0.19 8.00 0.11 -4.84 116.55 112.92 1w2q n ASP 12 Ca 0.19 -0.77 0.06 0.00 0.71 0.00 0.00 54.79 54.98 1w2q n ASP 12 Cb 0.62 -4.25 0.29 0.00 -0.02 0.00 0.00 41.12 37.77 1w2q n ASP 12 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1w2q h SER 13 N -1.97 0.81 -3.44 -2.24 0.02 -1.87 -3.42 113.55 101.44 1w2q h SER 13 Ca -0.60 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.26 1w2q h SER 13 Cb 1.36 -0.16 -0.25 0.00 0.14 0.00 0.00 62.40 63.49 1w2q h SER 13 CO 0.57 0.50 -0.24 -0.55 -1.14 0.00 0.00 176.83 175.98 1w2q s SER 14 N -6.01 -0.53 0.31 3.07 0.15 -1.26 -5.03 113.70 104.40 1w2q s SER 14 Ca -0.11 0.94 0.15 0.00 0.70 0.00 0.00 55.95 57.63 1w2q s SER 14 Cb 0.20 0.86 0.38 0.00 -1.71 0.00 0.00 66.02 65.76 1w2q s SER 14 CO 0.79 -0.18 1.59 0.77 1.20 0.00 0.00 173.24 177.41 1w2q h SER 15 N 6.53 0.00 0.03 5.45 4.64 -2.01 -2.96 113.55 125.23 1w2q h SER 15 Ca -0.33 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1w2q h SER 15 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1w2q h SER 15 CO 0.26 0.52 -0.01 0.00 -0.87 0.00 0.00 176.83 176.73 1w2q h GLU 17 N 0.00 0.20 -0.08 0.00 5.08 -1.95 -1.22 114.58 116.61 1w2q h GLU 17 Ca -0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1w2q h GLU 17 Cb 0.03 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1w2q h GLU 17 CO 0.00 0.23 0.45 -0.09 -1.00 0.00 0.00 179.01 178.60 1w2q h ARG 18 N 0.11 0.00 0.00 2.33 2.43 -1.57 1.06 114.38 118.74 1w2q h ARG 18 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1w2q h ARG 18 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1w2q h ARG 18 CO -0.01 0.00 0.00 1.96 -1.51 0.00 0.00 179.97 180.41 1w2q h GLN 19 N 0.00 0.00 -0.00 0.20 4.20 -1.30 -3.12 115.11 115.08 1w2q h GLN 19 Ca 0.04 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.56 1w2q h GLN 19 Cb 0.93 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1w2q h GLN 19 CO -0.00 0.00 -0.82 -0.24 -0.67 0.00 0.00 178.83 177.09 1w2q h VAL 20 N 0.00 1.51 -0.69 -0.54 3.04 0.11 -3.09 116.25 116.59 1w2q h VAL 20 Ca 0.00 -2.60 0.18 0.00 -1.01 0.00 0.00 66.70 63.27 1w2q h VAL 20 Cb 0.81 2.43 -0.03 0.00 -2.01 0.00 0.00 31.29 32.49 1w2q h VAL 20 CO 0.00 0.75 0.49 0.44 -1.01 0.00 0.00 177.57 178.24 1w2q h ASP 21 N 0.07 0.10 1.67 3.17 3.32 -1.58 0.75 116.42 123.93 1w2q h ASP 21 Ca -0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1w2q h ASP 21 Cb 1.44 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1w2q h ASP 21 CO 0.12 0.05 0.00 -0.09 -1.72 0.00 0.00 179.24 177.60 1w2q h ARG 22 N 0.10 0.00 0.00 3.56 2.43 -1.71 -3.37 114.38 115.39 1w2q h ARG 22 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1w2q h ARG 22 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1w2q h ARG 22 CO -0.04 0.00 0.00 0.28 -1.51 0.00 0.00 179.97 178.70 1w2q n VAL 23 N -2.76 0.00 -3.20 0.20 0.31 0.26 -4.87 118.33 108.27 1w2q n VAL 23 Ca 0.04 0.84 -0.15 0.00 -0.01 0.00 0.00 64.34 65.07 1w2q n VAL 23 Cb 0.46 -1.42 0.01 0.00 -0.91 0.00 0.00 33.84 31.98 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 -0.62 -6.92 -3.59 4.52 3.02 -1.26 -4.92 115.26 105.50 1w2q n ASN 24 Ca 0.00 -0.03 -0.33 0.00 -0.03 0.00 0.00 54.58 54.19 1w2q n ASN 24 Cb 0.00 -4.02 -0.04 0.00 -0.61 0.00 0.00 39.78 35.11 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 -1.10 4.96 -0.07 3.41 4.77 -1.26 -4.84 117.00 122.86 1w2q n LEU 25 Ca -0.03 -5.39 -0.08 0.00 -0.03 0.00 0.00 56.01 50.48 1w2q n LEU 25 Cb 0.56 -0.89 0.08 0.00 -2.33 0.00 0.00 43.42 40.84 1w2q n LEU 25 CO 0.54 1.96 0.67 0.50 -1.33 0.00 0.00 177.39 179.73 1w2q h LYS 26 N 4.49 0.75 -0.53 3.23 1.63 -1.98 -2.75 116.57 121.39 1w2q h LYS 26 Ca 0.21 -0.32 -0.12 0.00 -0.85 0.00 0.00 60.65 59.57 1w2q h LYS 26 Cb 0.61 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1w2q h LYS 26 CO 1.03 0.93 -0.13 -1.00 -3.45 0.00 0.00 179.45 176.82 1w2q h PRO 27 N 0.64 1.03 0.50 1.90 0.13 -1.96 -1.53 132.00 132.71 1w2q h PRO 27 Ca 0.08 -0.40 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1w2q h PRO 27 Cb 0.78 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1w2q h PRO 27 CO 0.06 1.09 -0.24 0.00 -0.23 0.00 0.00 178.00 178.68 1w2q h GLU 29 N -0.96 0.33 0.00 0.00 4.81 -1.52 0.81 114.58 118.05 1w2q h GLU 29 Ca -0.07 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1w2q h GLU 29 Cb 0.60 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1w2q h GLU 29 CO 0.11 0.22 -0.21 1.96 -0.73 0.00 0.00 179.01 180.37 1w2q h GLN 30 N 0.34 0.00 0.00 1.92 4.20 -0.90 0.12 115.11 120.80 1w2q h GLN 30 Ca 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.15 1w2q h GLN 30 Cb 1.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 1w2q h GLN 30 CO -0.15 0.21 -0.08 1.25 -0.67 0.00 0.00 178.83 179.38 1w2q h HIS 31 N 0.00 0.00 0.00 2.96 2.76 0.16 -1.92 115.15 119.10 1w2q h HIS 31 Ca -0.00 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 57.92 1w2q h HIS 31 Cb 0.68 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.60 1w2q h HIS 31 CO 0.00 0.08 -1.49 0.44 -1.30 0.00 0.00 177.93 175.67 1w2q n ILE 32 N -3.12 1.52 -0.33 6.26 -5.35 -0.85 -3.28 119.36 114.21 1w2q n ILE 32 Ca 0.04 -0.08 -0.04 0.00 -0.27 0.00 0.00 62.75 62.40 1w2q n ILE 32 Cb 0.56 -2.06 0.09 0.00 -1.74 0.00 0.00 39.64 36.49 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 -1.00 1.26 -0.39 6.28 2.86 -0.90 -0.54 114.93 122.49 1w2q h MET 33 Ca -0.38 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.08 1w2q h MET 33 Cb 1.27 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 1w2q h MET 33 CO -0.23 0.93 0.13 1.96 1.06 0.00 0.00 176.91 180.76 1w2q h GLN 34 N 1.26 0.60 0.34 1.72 4.20 -1.53 0.17 115.11 121.87 1w2q h GLN 34 Ca 0.32 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 1w2q h GLN 34 Cb 0.04 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1w2q h GLN 34 CO -0.05 0.60 -0.16 0.00 -0.67 0.00 0.00 178.83 178.55 1w2q h ARG 35 N 0.49 -0.44 0.00 1.46 3.08 -1.45 2.03 114.38 119.55 1w2q h ARG 35 Ca 0.13 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1w2q h ARG 35 Cb 0.24 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1w2q h ARG 35 CO -0.01 -0.15 0.00 0.44 -1.07 0.00 0.00 179.97 179.18 1w2q n ILE 36 N -5.18 0.95 -0.01 2.04 -5.35 -0.25 -2.08 119.36 109.47 1w2q n ILE 36 Ca -0.10 0.43 0.07 0.00 -0.27 0.00 0.00 62.75 62.88 1w2q n ILE 36 Cb 0.26 -1.38 -0.12 0.00 -1.74 0.00 0.00 39.64 36.66 1w2q n ILE 36 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1w2q n MET 37 N -2.20 0.52 0.24 6.28 2.81 0.57 -4.34 117.12 121.01 1w2q n MET 37 Ca 0.01 -0.14 0.10 0.00 -1.81 0.00 0.00 57.70 55.86 1w2q n MET 37 Cb 0.15 -1.37 0.59 0.00 -0.71 0.00 0.00 33.22 31.88 1w2q n MET 37 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1w2q h GLY 38 N 2.86 0.00 2.00 3.03 0.00 0.38 -2.01 103.07 109.33 1w2q h GLY 38 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1w2q h GLY 38 CO 0.00 0.00 -0.10 -2.09 0.00 0.00 0.00 176.54 174.35 1w2q h GLU 39 N 0.00 0.00 -0.16 4.80 4.81 -1.75 -1.67 114.58 120.61 1w2q h GLU 39 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1w2q h GLU 39 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1w2q h GLU 39 CO 0.02 0.10 -0.20 1.96 -0.73 0.00 0.00 179.01 180.16 1w2q h GLN 40 N 0.00 0.28 -6.85 1.92 4.20 -1.63 -3.43 115.11 109.61 1w2q h GLN 40 Ca -0.00 -0.08 -0.55 0.00 0.06 0.00 0.00 58.65 58.07 1w2q h GLN 40 Cb 0.26 -0.03 0.11 0.00 0.30 0.00 0.00 27.48 28.12 1w2q h GLN 40 CO 0.01 0.48 0.64 0.39 -0.67 0.00 0.00 178.83 179.68 1w2q n GLU 41 N -4.20 2.39 -0.09 1.46 1.02 -0.63 -4.87 120.64 115.73 1w2q n GLU 41 Ca -0.01 0.84 -0.02 0.00 -0.02 0.00 0.00 57.16 57.96 1w2q n GLU 41 Cb 0.33 -2.50 0.24 0.00 -0.02 0.00 0.00 31.44 29.49 1w2q n GLU 41 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1w2q h GLN 42 N 2.72 0.73 -6.29 3.49 1.08 -1.87 -3.43 115.11 111.54 1w2q h GLN 42 Ca -0.48 -0.14 -0.61 0.00 -1.45 0.00 0.00 58.65 55.97 1w2q h GLN 42 Cb 1.26 -0.12 -0.14 0.00 -0.05 0.00 0.00 27.48 28.44 1w2q h GLN 42 CO 0.63 0.66 -0.75 0.71 -0.95 0.00 0.00 178.83 179.14 1w2q s TYR 43 N -5.19 2.39 0.00 2.96 2.02 -1.26 -4.95 117.35 113.32 1w2q s TYR 43 Ca -0.09 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 1w2q s TYR 43 Cb 0.16 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 1w2q s TYR 43 CO 0.79 0.65 0.00 -0.40 -1.57 0.00 0.00 175.55 175.02 1w2q n ASP 44 N -0.48 0.00 -0.28 2.29 5.75 -1.26 -4.95 116.55 117.61 1w2q n ASP 44 Ca -0.07 0.00 0.22 0.00 -0.01 0.00 0.00 54.79 54.93 1w2q n ASP 44 Cb 0.59 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.20 1w2q n ASP 44 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1w2q h SER 45 N 0.00 0.39 -0.70 -1.12 4.64 -1.96 0.20 113.55 115.00 1w2q h SER 45 Ca 0.00 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1w2q h SER 45 Cb 0.00 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1w2q h SER 45 CO 0.00 0.12 0.40 1.88 -0.87 0.00 0.00 176.83 178.36 1w2q h TYR 46 N 0.37 0.94 -3.66 4.77 0.05 -2.00 -3.39 116.97 114.06 1w2q h TYR 46 Ca 0.53 -0.01 -0.65 0.00 0.05 0.00 0.00 58.73 58.64 1w2q h TYR 46 Cb 1.38 -0.31 -0.22 0.00 1.01 0.00 0.00 36.73 38.59 1w2q h TYR 46 CO -0.00 0.66 -0.61 -0.51 -1.05 0.00 0.00 178.16 176.65 1w2q s ASP 47 N -5.98 5.26 0.19 3.88 1.01 0.71 -4.97 116.67 116.78 1w2q s ASP 47 Ca -0.13 -0.26 -0.12 0.00 0.71 0.00 0.00 52.55 52.76 1w2q s ASP 47 Cb 0.14 -1.95 0.14 0.00 1.01 0.00 0.00 42.92 42.26 1w2q s ASP 47 CO 0.79 -0.06 1.85 0.40 0.21 0.00 0.00 175.17 178.35 1w2q h ILE 48 N 5.56 1.12 -3.97 0.77 2.04 -1.77 -3.43 117.51 117.84 1w2q h ILE 48 Ca -0.37 -0.28 -0.34 0.00 1.00 0.00 0.00 64.86 64.87 1w2q h ILE 48 Cb 1.17 0.22 -0.26 0.00 -0.74 0.00 0.00 36.82 37.22 1w2q h ILE 48 CO 0.58 0.15 -0.76 -0.13 0.00 0.00 0.00 178.15 177.99 1w2q s ARG 49 N -6.13 0.59 0.28 2.37 1.81 -1.26 -5.03 118.95 111.58 1w2q s ARG 49 Ca -0.13 -0.49 0.01 0.00 -1.72 0.00 0.00 55.73 53.40 1w2q s ARG 49 Cb 0.14 -0.51 0.53 0.00 -0.45 0.00 0.00 34.95 34.66 1w2q s ARG 49 CO 0.76 0.13 1.84 0.77 -0.68 0.00 0.00 175.30 178.12 1w2q h SER 50 N 5.33 0.95 -5.10 0.23 0.02 -1.97 -3.43 113.55 109.57 1w2q h SER 50 Ca -0.33 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.55 1w2q h SER 50 Cb 1.19 -0.15 -0.17 0.00 0.14 0.00 0.00 62.40 63.42 1w2q h SER 50 CO 0.46 0.52 -0.45 0.28 -1.14 0.00 0.00 176.83 176.50 1w2q s THR 51 N -5.97 0.13 0.41 -2.27 -1.32 -1.26 -5.03 115.64 100.33 1w2q s THR 51 Ca -0.12 -1.08 0.08 0.00 -1.21 0.00 0.00 61.69 59.36 1w2q s THR 51 Cb 0.22 -1.03 0.22 0.00 -1.51 0.00 0.00 72.50 70.40 1w2q s THR 51 CO 0.81 -0.60 2.00 0.03 -2.21 0.00 0.00 174.62 174.66 1w2q h ARG 52 N 3.37 0.39 -0.00 7.08 3.08 -2.04 -0.65 114.38 125.60 1w2q h ARG 52 Ca -0.33 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1w2q h ARG 52 Cb 1.19 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 1w2q h ARG 52 CO 0.52 0.35 0.03 0.66 -1.07 0.00 0.00 179.97 180.45 1w2q h SER 53 N 0.39 0.00 -0.67 7.04 4.64 -1.98 -1.51 113.55 121.45 1w2q h SER 53 Ca 0.10 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.57 1w2q h SER 53 Cb 0.12 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 1w2q h SER 53 CO -0.01 0.00 0.46 -1.28 -0.87 0.00 0.00 176.83 175.13 1w2q h SER 54 N 0.00 0.24 0.11 4.97 0.87 -1.52 0.35 113.55 118.57 1w2q h SER 54 Ca 0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1w2q h SER 54 Cb 0.06 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1w2q h SER 54 CO -0.00 0.13 -0.04 0.44 -0.53 0.00 0.00 176.83 176.83 1w2q h ASP 55 N 0.26 0.00 -0.28 6.23 3.32 -1.46 -1.42 116.42 123.07 1w2q h ASP 55 Ca 0.32 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 1w2q h ASP 55 Cb 0.91 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1w2q h ASP 55 CO -0.07 0.04 0.05 1.56 -1.72 0.00 0.00 179.24 179.10 1w2q h GLN 56 N 0.00 0.56 -0.77 3.56 4.20 -0.47 -2.66 115.11 119.53 1w2q h GLN 56 Ca -0.00 -0.11 0.18 0.00 0.06 0.00 0.00 58.65 58.78 1w2q h GLN 56 Cb 0.11 -0.09 -0.12 0.00 0.30 0.00 0.00 27.48 27.68 1w2q h GLN 56 CO 0.01 0.55 0.18 1.96 -0.67 0.00 0.00 178.83 180.86 1w2q h GLN 57 N 0.55 0.24 -0.95 1.46 4.20 -1.35 0.35 115.11 119.60 1w2q h GLN 57 Ca 0.12 -0.01 0.24 0.00 0.06 0.00 0.00 58.65 59.05 1w2q h GLN 57 Cb 0.28 -0.05 -0.13 0.00 0.30 0.00 0.00 27.48 27.88 1w2q h GLN 57 CO 0.00 0.16 0.50 1.96 -0.67 0.00 0.00 178.83 180.79 1w2q h GLN 58 N 0.25 0.48 -0.98 1.46 4.20 -1.62 0.72 115.11 119.60 1w2q h GLN 58 Ca 0.45 -0.03 0.28 0.00 0.06 0.00 0.00 58.65 59.41 1w2q h GLN 58 Cb 0.80 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 1w2q h GLN 58 CO -0.56 0.31 0.70 0.00 -0.67 0.00 0.00 178.83 178.62 1w2q h ARG 59 N 0.49 0.00 0.00 1.46 3.08 -0.43 -2.71 114.38 116.27 1w2q h ARG 59 Ca 0.61 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.66 1w2q h ARG 59 Cb 1.17 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1w2q h ARG 59 CO -0.50 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.40 1w2q h ASP 62 N 0.17 0.77 -0.01 0.00 3.32 -0.94 -1.77 116.42 117.96 1w2q h ASP 62 Ca 0.79 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.81 1w2q h ASP 62 Cb 2.01 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 41.37 1w2q h ASP 62 CO -0.63 0.58 0.00 -0.33 -1.72 0.00 0.00 179.24 177.14 1w2q h GLU 63 N 0.90 0.01 0.00 3.56 5.08 1.62 -1.49 114.58 124.27 1w2q h GLU 63 Ca 0.24 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1w2q h GLU 63 Cb -0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1w2q h GLU 63 CO -0.05 0.22 0.00 1.28 -1.00 0.00 0.00 179.01 179.46 1w2q n LEU 64 N -4.98 0.00 -0.01 1.33 4.77 -0.94 0.19 117.00 117.36 1w2q n LEU 64 Ca -0.07 0.07 0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1w2q n LEU 64 Cb 0.13 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1w2q n LEU 64 CO 0.33 -0.04 -0.03 0.59 -1.33 0.00 0.00 177.39 176.91 1w2q n ASN 65 N -1.07 0.79 0.00 -1.43 3.02 -0.61 -1.61 115.26 114.35 1w2q n ASN 65 Ca 0.09 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1w2q n ASN 65 Cb 0.06 0.99 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1w2q n ASN 65 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1w2q n GLU 66 N -1.37 0.00 0.00 3.52 1.02 -0.66 -4.70 120.64 118.45 1w2q n GLU 66 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1w2q n GLU 66 Cb 0.26 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 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 -0.74 0.00 0.00 3.49 2.81 0.52 -3.95 117.12 119.25 1w2q n MET 67 Ca 0.00 0.20 0.09 0.00 -1.81 0.00 0.00 57.70 56.18 1w2q n MET 67 Cb 0.00 -0.82 0.55 0.00 -0.71 0.00 0.00 33.22 32.24 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 -1.09 0.91 -1.96 0.03 1.02 -1.12 -4.83 120.64 113.61 1w2q n GLU 68 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1w2q n GLU 68 Cb 0.00 -1.31 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 -0.81 -2.30 -4.11 1.62 3.02 -1.25 -4.82 115.26 106.60 1w2q n ASN 69 Ca 0.14 0.27 -0.36 0.00 -0.03 0.00 0.00 54.58 54.60 1w2q n ASN 69 Cb 0.06 -2.15 0.05 0.00 -0.61 0.00 0.00 39.78 37.13 1w2q n ASN 69 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1w2q n THR 70 N -2.38 0.06 0.00 3.41 -2.24 -0.64 -4.83 114.28 107.66 1w2q n THR 70 Ca -0.08 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1w2q n THR 70 Cb 0.43 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1w2q n THR 70 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1w2q n GLN 71 N 1.53 0.00 -4.18 -0.78 7.27 -1.26 -4.81 117.38 115.15 1w2q n GLN 71 Ca 0.01 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1w2q n GLN 71 Cb 0.55 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.14 1w2q n GLN 71 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1w2q s GLY 72 N -0.51 1.51 0.00 1.69 0.00 -1.26 -4.41 107.32 104.34 1w2q s GLY 72 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1w2q s GLY 72 CO 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 173.10 171.55 1w2q h MET 74 N 0.26 -0.14 -0.62 0.00 2.86 -1.88 0.28 114.93 115.69 1w2q h MET 74 Ca 0.00 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.77 1w2q h MET 74 Cb 0.73 0.03 -0.12 0.00 0.06 0.00 0.00 31.60 32.31 1w2q h MET 74 CO 0.00 -0.09 -0.19 0.00 1.06 0.00 0.00 176.91 177.69 1w2q h GLU 76 N -0.03 0.00 0.06 0.00 5.08 -0.87 -0.49 114.58 118.33 1w2q h GLU 76 Ca 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1w2q h GLU 76 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1w2q h GLU 76 CO -0.66 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 177.32 1w2q h ALA 77 N 1.84 -0.08 -0.58 3.43 0.00 0.38 -2.57 119.26 121.68 1w2q h ALA 77 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1w2q h ALA 77 Cb 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1w2q h ALA 77 CO 0.00 -0.08 0.25 1.25 0.00 0.00 0.00 179.25 180.68 1w2q h LEU 78 N -1.02 0.31 -0.61 0.00 5.85 -0.89 -0.84 115.31 118.12 1w2q h LEU 78 Ca -0.01 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1w2q h LEU 78 Cb 0.14 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 1w2q h LEU 78 CO 0.01 0.20 0.25 1.56 -0.34 0.00 0.00 178.44 180.12 1w2q h GLN 79 N 0.47 0.44 -0.42 1.25 4.20 -1.22 -1.03 115.11 118.79 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 0.27 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1w2q h GLN 79 CO -0.24 0.29 0.13 0.37 -0.67 0.00 0.00 178.83 178.71 1w2q h GLN 80 N 0.45 0.28 -0.09 1.46 5.75 -0.74 -1.70 115.11 120.51 1w2q h GLN 80 Ca 0.30 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.80 1w2q h GLN 80 Cb 0.34 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 1w2q h GLN 80 CO -0.28 0.18 -0.42 0.82 -2.65 0.00 0.00 178.83 176.49 1w2q h ILE 81 N 0.28 0.00 -0.64 2.39 2.04 -0.51 1.25 117.51 122.32 1w2q h ILE 81 Ca 0.20 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.18 1w2q h ILE 81 Cb 0.21 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.17 1w2q h ILE 81 CO -0.22 0.00 -0.24 0.24 0.00 0.00 0.00 178.15 177.93 1w2q h MET 82 N -0.45 -0.07 0.00 2.37 2.86 -1.10 2.01 114.93 120.55 1w2q h MET 82 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1w2q h MET 82 Cb 0.52 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1w2q h MET 82 CO -0.33 -0.05 0.00 0.39 1.06 0.00 0.00 176.91 177.98 1w2q n GLU 83 N -5.45 0.16 0.19 1.72 1.02 -0.41 0.19 120.64 118.06 1w2q n GLU 83 Ca 0.07 0.44 0.09 0.00 -0.02 0.00 0.00 57.16 57.74 1w2q n GLU 83 Cb 0.35 -1.83 0.11 0.00 -0.02 0.00 0.00 31.44 30.05 1w2q n GLU 83 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1w2q h ASN 84 N 0.00 0.00 0.00 1.62 -1.24 1.28 -3.41 115.58 113.83 1w2q h ASN 84 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 1w2q h ASN 84 Cb 0.28 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.23 1w2q h ASN 84 CO 0.00 0.15 -0.04 1.67 -1.29 0.00 0.00 177.43 177.92 1w2q n GLN 85 N -3.10 0.59 0.00 6.67 7.27 -0.60 -4.97 117.38 123.25 1w2q n GLN 85 Ca 0.03 -1.00 0.11 0.00 0.07 0.00 0.00 57.00 56.21 1w2q n GLN 85 Cb 0.59 0.03 0.11 0.00 2.41 0.00 0.00 30.24 33.38 1w2q n GLN 85 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1w2q h ASP 87 N 0.23 -0.35 0.21 0.00 3.32 -1.87 2.07 116.42 120.03 1w2q h ASP 87 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1w2q h ASP 87 Cb 0.51 0.35 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1w2q h ASP 87 CO 0.00 -0.18 0.00 0.54 -1.72 0.00 0.00 179.24 177.88 1w2q n ARG 88 N -5.35 0.08 0.19 3.56 1.74 -1.26 -1.82 116.66 113.80 1w2q n ARG 88 Ca 0.14 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.84 1w2q n ARG 88 Cb 0.48 -1.72 0.67 0.00 -1.02 0.00 0.00 32.46 30.88 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 0.00 0.00 -1.48 0.55 5.85 0.31 -2.64 115.31 117.91 1w2q h LEU 89 Ca 0.00 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.95 1w2q h LEU 89 Cb 0.11 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1w2q h LEU 89 CO 0.00 0.00 0.89 1.56 -0.34 0.00 0.00 178.44 180.55 1w2q h GLN 90 N 0.00 0.00 -6.93 1.25 4.20 -1.48 -3.37 115.11 108.78 1w2q h GLN 90 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1w2q h GLN 90 Cb 0.06 0.00 0.08 0.00 0.30 0.00 0.00 27.48 27.92 1w2q h GLN 90 CO 0.00 0.00 0.62 -0.51 -0.67 0.00 0.00 178.83 178.27 1w2q s ASP 91 N -4.24 6.47 0.38 1.46 1.01 -1.00 -4.88 116.67 115.87 1w2q s ASP 91 Ca -0.03 2.67 0.28 0.00 0.71 0.00 0.00 52.55 56.17 1w2q s ASP 91 Cb 0.15 -2.64 1.09 0.00 1.01 0.00 0.00 42.92 42.53 1w2q s ASP 91 CO 0.51 -0.74 1.82 -0.09 0.21 0.00 0.00 175.17 176.88 1w2q h ARG 92 N 2.91 0.00 0.01 8.23 2.43 -1.93 -3.00 114.38 123.03 1w2q h ARG 92 Ca -0.49 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1w2q h ARG 92 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1w2q h ARG 92 CO 0.63 0.00 -0.00 0.37 -1.51 0.00 0.00 179.97 179.46 1w2q h GLN 93 N 0.00 -0.01 -0.98 0.20 4.15 -1.90 -3.31 115.11 113.27 1w2q h GLN 93 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 1w2q h GLN 93 Cb 0.49 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.11 1w2q h GLN 93 CO 0.00 0.83 0.63 0.52 -1.93 0.00 0.00 178.83 178.88 1w2q h MET 94 N -0.92 1.12 0.00 1.69 2.86 -1.82 -1.31 114.93 116.55 1w2q h MET 94 Ca -0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1w2q h MET 94 Cb 0.84 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1w2q h MET 94 CO 0.00 0.74 0.00 0.28 1.06 0.00 0.00 176.91 178.99 1w2q n VAL 95 N -4.52 0.00 0.17 -2.22 0.31 -1.14 0.26 118.33 111.21 1w2q n VAL 95 Ca 0.15 0.40 -0.14 0.00 -0.01 0.00 0.00 64.34 64.73 1w2q n VAL 95 Cb 0.17 -0.91 -0.07 0.00 -0.91 0.00 0.00 33.84 32.12 1w2q n VAL 95 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1w2q h GLN 96 N 0.00 -0.59 -0.05 5.55 4.20 -1.72 0.44 115.11 122.95 1w2q h GLN 96 Ca 0.00 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1w2q h GLN 96 Cb 0.00 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1w2q h GLN 96 CO 0.00 -0.39 -0.06 0.37 -0.67 0.00 0.00 178.83 178.08 1w2q h GLN 97 N -0.61 -0.03 -0.97 1.46 5.75 -1.20 2.08 115.11 121.59 1w2q h GLN 97 Ca -0.00 0.00 0.17 0.00 -0.15 0.00 0.00 58.65 58.67 1w2q h GLN 97 Cb 0.58 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.05 1w2q h GLN 97 CO -0.10 -0.02 0.61 0.35 -2.65 0.00 0.00 178.83 177.02 1w2q h PHE 98 N -0.03 0.95 -0.22 3.99 3.57 0.37 0.44 116.94 126.00 1w2q h PHE 98 Ca 0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1w2q h PHE 98 Cb 0.06 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1w2q h PHE 98 CO -0.66 0.28 -0.17 -0.22 -2.23 0.00 0.00 178.31 175.31 1w2q h LYS 99 N 0.74 0.38 0.15 1.11 3.64 0.28 0.16 116.57 123.03 1w2q h LYS 99 Ca 0.52 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 1w2q h LYS 99 Cb 0.83 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1w2q h LYS 99 CO -0.29 0.55 -0.07 0.00 -2.27 0.00 0.00 179.45 177.37 1w2q h ARG 100 N 0.35 -0.19 -0.77 1.90 3.08 0.78 -2.33 114.38 117.20 1w2q h ARG 100 Ca 0.06 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1w2q h ARG 100 Cb 0.51 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1w2q h ARG 100 CO 0.03 0.20 0.42 0.93 -1.07 0.00 0.00 179.97 180.48 1w2q h GLU 101 N -0.64 1.06 -0.85 0.04 4.39 -1.07 -1.62 114.58 115.89 1w2q h GLU 101 Ca -0.02 -0.12 0.08 0.00 0.34 0.00 0.00 59.36 59.64 1w2q h GLU 101 Cb 0.48 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 1w2q h GLU 101 CO 0.03 0.78 0.56 1.25 -1.16 0.00 0.00 179.01 180.47 1w2q h LEU 102 N 1.07 0.79 -1.49 1.33 5.85 -0.58 0.18 115.31 122.45 1w2q h LEU 102 Ca 0.27 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 1w2q h LEU 102 Cb 0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1w2q h LEU 102 CO -0.04 0.48 -0.10 0.24 -0.34 0.00 0.00 178.44 178.67 1w2q h MET 103 N 0.88 0.20 0.04 1.25 2.86 -0.72 -2.24 114.93 117.20 1w2q h MET 103 Ca 0.38 -0.04 -0.24 0.00 -2.06 0.00 0.00 59.70 57.74 1w2q h MET 103 Cb 0.33 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1w2q h MET 103 CO -0.15 0.32 -1.17 0.66 1.06 0.00 0.00 176.91 177.63 1w2q h SER 104 N 0.19 0.14 -0.87 1.22 4.64 -0.67 -3.33 113.55 114.86 1w2q h SER 104 Ca 0.04 -0.16 0.17 0.00 -0.47 0.00 0.00 61.79 61.38 1w2q h SER 104 Cb 0.31 -0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 62.19 1w2q h SER 104 CO 0.02 1.13 -0.23 -0.07 -0.87 0.00 0.00 176.83 176.80 1w2q h LEU 105 N 0.02 -0.85 0.00 5.97 -0.00 -0.19 2.31 115.31 122.57 1w2q h LEU 105 Ca -0.08 0.26 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1w2q h LEU 105 Cb 1.86 0.55 0.00 0.00 -0.00 0.00 0.00 40.66 43.08 1w2q h LEU 105 CO 0.15 -0.29 0.00 -0.81 -0.00 0.00 0.00 178.44 177.49 1w2q n PRO 106 N -5.56 0.14 -0.13 1.13 -0.04 -1.24 -2.84 135.00 126.45 1w2q n PRO 106 Ca 0.13 0.20 -0.27 0.00 -0.04 0.00 0.00 63.50 63.51 1w2q n PRO 106 Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 1w2q n PRO 106 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1w2q n GLN 107 N -1.30 0.57 -0.22 0.54 7.27 0.76 0.65 117.38 125.65 1w2q n GLN 107 Ca 0.05 0.24 0.31 0.00 0.07 0.00 0.00 57.00 57.66 1w2q n GLN 107 Cb 0.08 -1.46 0.73 0.00 2.41 0.00 0.00 30.24 32.00 1w2q n GLN 107 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1w2q h GLN 108 N -0.84 0.00 0.00 3.69 4.15 -0.77 -1.30 115.11 120.04 1w2q h GLN 108 Ca -0.67 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 58.66 1w2q h GLN 108 Cb 1.63 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 29.12 1w2q h GLN 108 CO -0.37 0.00 -0.75 0.00 -1.93 0.00 0.00 178.83 175.78 1w2q n ASN 110 N -0.02 -0.70 0.00 0.00 3.02 -0.49 -4.73 115.26 112.34 1w2q n ASN 110 Ca 0.07 -1.19 0.09 0.00 -0.03 0.00 0.00 54.58 53.52 1w2q n ASN 110 Cb 0.93 -1.99 0.47 0.00 -0.61 0.00 0.00 39.78 38.58 1w2q n ASN 110 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1w2q n PHE 111 N -4.37 0.00 -1.21 3.10 7.35 0.21 -4.82 117.46 117.71 1w2q n PHE 111 Ca -0.13 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.19 1w2q n PHE 111 Cb 0.59 -0.18 0.06 0.00 0.35 0.00 0.00 39.48 40.31 1w2q n PHE 111 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1w2q n ARG 112 N -1.18 0.20 -4.16 -4.13 1.74 -1.16 -4.67 116.66 103.30 1w2q n ARG 112 Ca 0.10 0.10 -0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1w2q n ARG 112 Cb 0.11 -1.66 -0.10 0.00 -1.02 0.00 0.00 32.46 29.79 1w2q n ARG 112 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w2q s ALA 113 N -1.96 0.90 -0.78 7.54 0.00 -1.26 -4.97 121.76 121.22 1w2q s ALA 113 Ca 0.62 -1.44 0.19 0.00 0.00 0.00 0.00 51.96 51.33 1w2q s ALA 113 Cb -0.34 0.64 0.78 0.00 0.00 0.00 0.00 23.12 24.20 1w2q s ALA 113 CO 0.62 -0.41 1.58 -0.35 0.00 0.00 0.00 175.76 177.19 1w2q n PRO 114 N -0.08 0.08 -4.02 0.00 -0.04 -1.26 -4.72 135.00 124.96 1w2q n PRO 114 Ca -0.08 0.31 -0.29 0.00 -0.04 0.00 0.00 63.50 63.41 1w2q n PRO 114 Cb 0.63 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 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 -3.13 3.04 0.14 0.54 -1.52 -1.26 -5.12 119.66 112.36 1w2q s GLN 115 Ca 0.06 -0.68 0.10 0.00 -1.95 0.00 0.00 55.36 52.89 1w2q s GLN 115 Cb 0.10 -2.79 -0.04 0.00 -0.22 0.00 0.00 33.01 30.06 1w2q s GLN 115 CO 0.33 0.55 -0.20 1.03 -0.25 0.00 0.00 175.29 176.74 1w2q s ARG 116 N -2.66 1.67 0.26 2.91 0.52 -1.26 -4.88 118.95 115.50 1w2q s ARG 116 Ca 0.31 -1.30 0.11 0.00 -0.52 0.00 0.00 55.73 54.33 1w2q s ARG 116 Cb -0.12 -2.01 -0.05 0.00 0.52 0.00 0.00 34.95 33.29 1w2q s ARG 116 CO 0.24 0.45 -0.12 0.00 0.02 0.00 0.00 175.30 175.89 1w2q s ASP 118 N -3.44 6.52 0.47 0.00 1.01 -1.26 -4.93 116.67 115.05 1w2q s ASP 118 Ca 0.29 2.12 0.26 0.00 0.71 0.00 0.00 52.55 55.93 1w2q s ASP 118 Cb -0.06 -2.59 0.65 0.00 1.01 0.00 0.00 42.92 41.93 1w2q s ASP 118 CO 0.16 -0.66 1.72 -0.07 0.21 0.00 0.00 175.17 176.54 1w2q h LEU 119 N 2.26 0.00 -1.09 1.23 4.07 -2.03 -3.10 115.31 116.66 1w2q h LEU 119 Ca -0.49 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.38 1w2q h LEU 119 Cb 1.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 1w2q h LEU 119 CO 0.61 0.02 -0.39 -2.24 -1.08 0.00 0.00 178.44 175.37 1w2q h ASP 120 N 0.00 0.13 -0.50 -0.43 2.03 -1.97 -2.97 116.42 112.71 1w2q h ASP 120 Ca -0.00 -0.05 0.06 0.00 -0.73 0.00 0.00 57.03 56.31 1w2q h ASP 120 Cb 0.86 -0.04 -0.05 0.00 -0.83 0.00 0.00 39.33 39.27 1w2q h ASP 120 CO 0.00 0.51 0.20 0.58 -1.03 0.00 0.00 179.24 179.50 1w2q h VAL 121 N 0.11 0.86 -0.54 4.15 2.07 -1.94 -0.07 116.25 120.90 1w2q h VAL 121 Ca 0.01 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1w2q h VAL 121 Cb 0.74 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1w2q h VAL 121 CO 0.06 0.07 0.36 0.28 0.02 0.00 0.00 177.57 178.35 1w2q h SER 122 N 0.39 0.54 -0.32 0.57 0.02 -1.69 0.15 113.55 113.21 1w2q h SER 122 Ca 0.24 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1w2q h SER 122 Cb 0.23 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1w2q h SER 122 CO -0.22 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 1w2q n GLY 123 N -1.47 1.13 0.00 -3.77 0.00 -0.16 -4.01 105.19 96.91 1w2q n GLY 123 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.79 -2.52 0.27 -0.02 0.00 0.52 -3.54 105.19 100.69 1w2q n GLY 124 Ca 0.12 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 0.28 0.00 1.61 3.08 -1.87 -0.44 114.38 117.04 1w2q h ARG 125 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1w2q h ARG 125 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1w2q h ARG 125 CO 0.00 0.27 -0.03 0.00 -1.07 0.00 0.00 179.97 179.13