#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 2.74 0.40 1.61 0.04 -1.26 -4.91 135.00 133.62 1w2q s PRO 2 Ca 0.00 1.34 0.15 0.00 0.04 0.00 0.00 61.00 62.53 1w2q s PRO 2 Cb 0.00 -1.95 1.01 0.00 0.04 0.00 0.00 34.50 33.61 1w2q s PRO 2 CO 0.00 -1.29 1.86 0.52 0.04 0.00 0.00 177.00 178.13 1w2q h MET 3 N -0.16 0.46 -6.98 4.56 2.86 -2.08 -3.41 114.93 110.19 1w2q h MET 3 Ca -0.46 -0.03 -0.53 0.00 -2.06 0.00 0.00 59.70 56.62 1w2q h MET 3 Cb 1.24 -0.10 0.10 0.00 0.06 0.00 0.00 31.60 32.90 1w2q h MET 3 CO 0.54 0.31 0.63 1.03 1.06 0.00 0.00 176.91 180.47 1w2q s ARG 4 N -5.49 3.74 0.52 1.72 0.52 -1.26 -4.94 118.95 113.75 1w2q s ARG 4 Ca -0.09 2.21 -0.22 0.00 -0.52 0.00 0.00 55.73 57.11 1w2q s ARG 4 Cb 0.23 -2.62 -0.06 0.00 0.52 0.00 0.00 34.95 33.02 1w2q s ARG 4 CO 0.78 -0.70 1.29 1.03 0.02 0.00 0.00 175.30 177.72 1w2q s ARG 5 N -2.45 3.33 0.45 3.54 0.52 -1.26 -4.87 118.95 118.21 1w2q s ARG 5 Ca 0.61 2.06 0.15 0.00 -0.52 0.00 0.00 55.73 58.04 1w2q s ARG 5 Cb -0.39 -2.29 1.09 0.00 0.52 0.00 0.00 34.95 33.88 1w2q s ARG 5 CO 0.50 -0.99 1.99 1.49 0.02 0.00 0.00 175.30 178.31 1w2q h GLU 6 N 1.62 0.33 -6.40 3.54 4.81 -1.92 -3.40 114.58 113.16 1w2q h GLU 6 Ca -0.50 -0.02 -0.65 0.00 -0.13 0.00 0.00 59.36 58.05 1w2q h GLU 6 Cb 1.28 -0.07 -0.28 0.00 0.63 0.00 0.00 28.75 30.31 1w2q h GLU 6 CO 0.58 0.22 -0.87 1.03 -0.73 0.00 0.00 179.01 179.24 1w2q s ARG 7 N -5.33 1.78 -0.02 1.92 0.52 -1.26 -5.00 118.95 111.56 1w2q s ARG 7 Ca -0.07 -0.93 0.16 0.00 -0.52 0.00 0.00 55.73 54.36 1w2q s ARG 7 Cb 0.20 -1.82 0.47 0.00 0.52 0.00 0.00 34.95 34.32 1w2q s ARG 7 CO 0.74 0.48 1.38 0.41 0.02 0.00 0.00 175.30 178.34 1w2q n GLY 8 N 2.18 1.55 3.32 -3.53 0.00 -1.26 -4.88 105.19 102.57 1w2q n GLY 8 Ca -0.16 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.39 1.41 0.26 1.61 0.52 -1.26 -5.02 118.95 115.08 1w2q s ARG 9 Ca 0.35 -1.16 -0.03 0.00 -0.52 0.00 0.00 55.73 54.37 1w2q s ARG 9 Cb 0.19 -1.70 0.38 0.00 0.52 0.00 0.00 34.95 34.35 1w2q s ARG 9 CO 0.23 0.42 1.88 0.37 0.02 0.00 0.00 175.30 178.21 1w2q h GLN 10 N 4.34 1.13 -3.95 3.54 4.15 -1.99 -3.45 115.11 118.88 1w2q h GLN 10 Ca -0.47 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 58.73 1w2q h GLN 10 Cb 1.16 -0.25 -0.10 0.00 0.21 0.00 0.00 27.48 28.50 1w2q h GLN 10 CO 0.41 0.75 -0.23 0.20 -1.93 0.00 0.00 178.83 178.03 1w2q s GLY 11 N -3.27 0.95 0.27 2.39 0.00 -1.26 -5.02 107.32 101.39 1w2q s GLY 11 Ca -0.13 -1.20 0.25 0.00 0.00 0.00 0.00 44.72 43.64 1w2q s GLY 11 CO 0.81 -0.87 1.74 1.29 0.00 0.00 0.00 173.10 176.07 1w2q h ASP 12 N 2.29 0.00 0.28 1.64 2.03 -2.05 -2.83 116.42 117.78 1w2q h ASP 12 Ca -0.29 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.97 1w2q h ASP 12 Cb 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 1w2q h ASP 12 CO 0.40 0.00 -0.23 0.28 -1.03 0.00 0.00 179.24 178.66 1w2q h SER 13 N 0.00 0.00 -4.07 4.15 0.02 -1.98 -3.43 113.55 108.24 1w2q h SER 13 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1w2q h SER 13 Cb 0.46 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.11 1w2q h SER 13 CO 0.00 0.23 0.52 -0.44 -1.14 0.00 0.00 176.83 175.99 1w2q s SER 14 N -6.81 5.32 0.00 3.07 0.01 -1.07 -4.89 113.70 109.33 1w2q s SER 14 Ca -0.03 2.50 0.00 0.00 1.31 0.00 0.00 55.95 59.73 1w2q s SER 14 Cb 0.15 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1w2q s SER 14 CO 0.68 -1.52 0.00 -1.54 0.41 0.00 0.00 173.24 171.28 1w2q n SER 15 N -1.28 0.00 -0.22 2.44 3.41 -1.26 -5.00 113.62 111.71 1w2q n SER 15 Ca 0.12 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 1w2q n SER 15 Cb 0.48 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.83 1w2q n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1w2q h GLU 17 N 0.63 0.49 -0.08 0.00 4.81 -2.00 0.56 114.58 119.00 1w2q h GLU 17 Ca 0.39 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1w2q h GLU 17 Cb 0.63 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1w2q h GLU 17 CO -0.16 0.33 0.18 0.00 -0.73 0.00 0.00 179.01 178.63 1w2q h ARG 18 N 0.51 0.00 0.00 1.92 3.08 -1.29 0.29 114.38 118.88 1w2q h ARG 18 Ca 0.47 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.40 1w2q h ARG 18 Cb 1.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 1w2q h ARG 18 CO -0.20 0.00 -0.56 1.96 -1.07 0.00 0.00 179.97 180.10 1w2q h GLN 19 N 0.00 0.00 -0.27 0.04 4.20 0.02 -3.21 115.11 115.89 1w2q h GLN 19 Ca 0.04 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 1w2q h GLN 19 Cb 0.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1w2q h GLN 19 CO -0.00 0.56 -0.45 0.28 -0.67 0.00 0.00 178.83 178.55 1w2q h VAL 20 N 0.00 1.29 -0.07 -0.54 2.07 -0.46 -2.28 116.25 116.28 1w2q h VAL 20 Ca -0.01 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 65.89 1w2q h VAL 20 Cb 1.33 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1w2q h VAL 20 CO 0.07 0.53 0.15 -0.78 0.02 0.00 0.00 177.57 177.56 1w2q h ASP 21 N 0.56 0.00 -0.30 0.57 3.58 -1.54 0.26 116.42 119.56 1w2q h ASP 21 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1w2q h ASP 21 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1w2q h ASP 21 CO 0.09 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.99 1w2q n ARG 22 N -3.37 2.22 -0.35 0.28 1.74 -0.98 -4.54 116.66 111.66 1w2q n ARG 22 Ca -0.01 -1.92 0.04 0.00 -0.77 0.00 0.00 57.85 55.19 1w2q n ARG 22 Cb 0.23 -1.32 0.19 0.00 -1.02 0.00 0.00 32.46 30.54 1w2q n ARG 22 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1w2q h VAL 23 N 2.63 1.01 -6.42 1.55 3.04 0.09 -3.46 116.25 114.68 1w2q h VAL 23 Ca 0.00 -0.36 -0.41 0.00 -1.01 0.00 0.00 66.70 64.92 1w2q h VAL 23 Cb 0.73 -0.13 0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1w2q h VAL 23 CO 0.00 0.19 -1.12 0.59 -1.01 0.00 0.00 177.57 176.23 1w2q n ASN 24 N -4.58 -4.89 -2.26 3.17 5.03 -1.26 -4.87 115.26 105.59 1w2q n ASN 24 Ca 0.16 -0.43 -0.25 0.00 0.87 0.00 0.00 54.58 54.93 1w2q n ASN 24 Cb 0.24 -1.49 0.01 0.00 -1.02 0.00 0.00 39.78 37.52 1w2q n ASN 24 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1w2q n LEU 25 N -0.99 4.71 0.04 3.41 4.32 -1.26 -4.78 117.00 122.44 1w2q n LEU 25 Ca -0.16 -4.92 -0.06 0.00 -0.02 0.00 0.00 56.01 50.85 1w2q n LEU 25 Cb 0.65 -0.37 0.12 0.00 -1.62 0.00 0.00 43.42 42.20 1w2q n LEU 25 CO 0.55 2.14 0.55 0.11 -1.22 0.00 0.00 177.39 179.52 1w2q h LYS 26 N 2.39 0.41 0.00 3.23 1.79 -2.00 -2.81 116.57 119.57 1w2q h LYS 26 Ca 0.32 -0.24 -0.05 0.00 -2.18 0.00 0.00 60.65 58.50 1w2q h LYS 26 Cb 1.24 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1w2q h LYS 26 CO 0.79 0.81 -0.26 -1.00 -1.08 0.00 0.00 179.45 178.71 1w2q h PRO 27 N 0.33 0.00 0.00 3.15 0.13 -1.97 -1.91 132.00 131.73 1w2q h PRO 27 Ca 0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 1w2q h PRO 27 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1w2q h PRO 27 CO 0.09 0.26 -0.13 0.00 -0.23 0.00 0.00 178.00 177.99 1w2q h GLU 29 N -0.68 0.70 0.00 0.00 4.81 -1.33 0.59 114.58 118.68 1w2q h GLU 29 Ca -0.02 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1w2q h GLU 29 Cb 0.92 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1w2q h GLU 29 CO 0.02 0.47 -0.29 1.96 -0.73 0.00 0.00 179.01 180.44 1w2q h GLN 30 N 0.72 0.00 0.00 1.92 1.08 -1.33 0.81 115.11 118.31 1w2q h GLN 30 Ca 0.53 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.71 1w2q h GLN 30 Cb 0.86 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1w2q h GLN 30 CO -0.29 0.29 -0.06 1.25 -0.95 0.00 0.00 178.83 179.06 1w2q h HIS 31 N 0.00 0.00 0.00 2.96 2.76 0.41 -1.56 115.15 119.72 1w2q h HIS 31 Ca -0.00 0.00 -0.43 0.00 -2.20 0.00 0.00 60.37 57.74 1w2q h HIS 31 Cb 0.58 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.48 1w2q h HIS 31 CO 0.00 0.06 -2.45 0.44 -1.30 0.00 0.00 177.93 174.68 1w2q n ILE 32 N -3.14 1.43 -0.16 6.26 -5.35 -0.64 -3.60 119.36 114.15 1w2q n ILE 32 Ca 0.02 -0.39 -0.08 0.00 -0.27 0.00 0.00 62.75 62.02 1w2q n ILE 32 Cb 0.44 -1.77 0.00 0.00 -1.74 0.00 0.00 39.64 36.57 1w2q n ILE 32 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1w2q h MET 33 N -0.78 0.67 -0.52 6.28 2.86 0.50 -0.71 114.93 123.23 1w2q h MET 33 Ca -0.65 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 56.81 1w2q h MET 33 Cb 1.62 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 1w2q h MET 33 CO -0.35 0.59 0.03 1.96 1.06 0.00 0.00 176.91 180.20 1w2q h GLN 34 N 0.60 0.90 -0.50 1.72 4.20 -1.44 -2.40 115.11 118.19 1w2q h GLN 34 Ca 0.16 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1w2q h GLN 34 Cb 0.15 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1w2q h GLN 34 CO -0.02 0.91 0.22 0.00 -0.67 0.00 0.00 178.83 179.27 1w2q h ARG 35 N 0.77 0.73 0.00 1.46 3.08 -1.56 -1.28 114.38 117.58 1w2q h ARG 35 Ca 0.15 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1w2q h ARG 35 Cb 0.49 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1w2q h ARG 35 CO 0.02 0.63 0.00 0.44 -1.07 0.00 0.00 179.97 179.99 1w2q n ILE 36 N -4.59 0.11 0.26 2.04 -5.35 -0.30 -3.17 119.36 108.36 1w2q n ILE 36 Ca 0.02 0.03 0.13 0.00 -0.27 0.00 0.00 62.75 62.65 1w2q n ILE 36 Cb 0.13 -0.70 0.78 0.00 -1.74 0.00 0.00 39.64 38.12 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 -0.71 -3.47 114.93 119.89 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 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 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 -1.44 2.88 0.09 8.32 0.00 -1.19 -1.79 105.19 112.05 1w2q n GLY 38 Ca -0.02 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1w2q n GLY 38 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w2q n GLU 39 N 13.80 0.23 -4.34 1.61 1.02 -1.26 -4.74 120.64 126.96 1w2q n GLU 39 Ca 0.00 0.17 -0.34 0.00 -0.02 0.00 0.00 57.16 56.97 1w2q n GLU 39 Cb 0.00 -1.75 -0.11 0.00 -0.02 0.00 0.00 31.44 29.56 1w2q n GLU 39 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1w2q s GLN 40 N -3.09 3.45 0.23 3.49 -0.21 -0.74 -5.11 119.66 117.68 1w2q s GLN 40 Ca 0.11 -0.45 0.06 0.00 0.02 0.00 0.00 55.36 55.09 1w2q s GLN 40 Cb 0.13 -2.91 -0.03 0.00 1.00 0.00 0.00 33.01 31.20 1w2q s GLN 40 CO 0.60 0.43 0.25 -1.21 -2.12 0.00 0.00 175.29 173.24 1w2q s GLU 41 N -0.12 3.12 0.29 2.91 2.02 -1.26 -4.53 118.70 121.14 1w2q s GLU 41 Ca 0.04 -0.91 -0.02 0.00 0.02 0.00 0.00 54.97 54.10 1w2q s GLU 41 Cb -0.13 -2.70 0.43 0.00 0.10 0.00 0.00 34.13 31.82 1w2q s GLU 41 CO 0.02 0.43 1.94 1.96 0.02 0.00 0.00 175.26 179.63 1w2q h GLN 42 N 1.53 1.05 -5.29 1.61 4.20 -1.94 -3.41 115.11 112.86 1w2q h GLN 42 Ca -0.50 -0.09 -0.55 0.00 0.06 0.00 0.00 58.65 57.57 1w2q h GLN 42 Cb 1.23 -0.22 -0.31 0.00 0.30 0.00 0.00 27.48 28.47 1w2q h GLN 42 CO 0.62 0.73 -0.83 0.71 -0.67 0.00 0.00 178.83 179.39 1w2q s TYR 43 N -5.81 1.64 -0.37 2.96 2.02 -1.26 -5.11 117.35 111.42 1w2q s TYR 43 Ca -0.11 -0.45 -0.14 0.00 -0.37 0.00 0.00 57.07 56.00 1w2q s TYR 43 Cb 0.17 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.63 1w2q s TYR 43 CO 0.80 -0.15 0.27 0.34 -1.57 0.00 0.00 175.55 175.24 1w2q s ASP 44 N -0.00 6.08 -0.05 2.29 2.15 -1.26 -5.06 116.67 120.81 1w2q s ASP 44 Ca -0.03 -0.67 0.06 0.00 0.43 0.00 0.00 52.55 52.35 1w2q s ASP 44 Cb -0.11 -2.15 -0.02 0.00 -0.30 0.00 0.00 42.92 40.35 1w2q s ASP 44 CO 0.02 -0.34 -0.23 -0.55 -0.17 0.00 0.00 175.17 173.90 1w2q s SER 45 N 1.70 3.27 0.26 -0.34 0.15 -1.26 -5.01 113.70 112.46 1w2q s SER 45 Ca 0.05 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.29 1w2q s SER 45 Cb -0.18 -0.79 0.32 0.00 -1.71 0.00 0.00 66.02 63.66 1w2q s SER 45 CO 0.10 0.27 1.63 0.22 1.20 0.00 0.00 173.24 176.66 1w2q h TYR 46 N 5.88 0.43 -3.21 3.44 3.20 -2.09 -3.41 116.97 121.20 1w2q h TYR 46 Ca -0.36 -0.13 -0.58 0.00 3.14 0.00 0.00 58.73 60.80 1w2q h TYR 46 Cb 1.16 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 39.28 1w2q h TYR 46 CO 0.43 0.75 0.58 0.34 -1.64 0.00 0.00 178.16 178.63 1w2q s ASP 47 N -6.88 6.99 0.28 -2.11 2.15 -1.26 -5.03 116.67 110.82 1w2q s ASP 47 Ca -0.05 1.23 0.09 0.00 0.43 0.00 0.00 52.55 54.25 1w2q s ASP 47 Cb 0.13 -2.49 -0.06 0.00 -0.30 0.00 0.00 42.92 40.20 1w2q s ASP 47 CO 0.80 -0.54 -0.13 0.27 -0.17 0.00 0.00 175.17 175.40 1w2q s ILE 48 N 2.75 2.08 -0.06 4.11 -4.36 -1.26 -5.14 121.20 119.32 1w2q s ILE 48 Ca 0.40 -2.25 0.05 0.00 -0.26 0.00 0.00 60.65 58.59 1w2q s ILE 48 Cb -0.16 -2.38 -0.02 0.00 1.25 0.00 0.00 42.46 41.15 1w2q s ILE 48 CO 0.09 -0.36 -0.21 -0.13 0.24 0.00 0.00 174.94 174.57 1w2q s ARG 49 N -3.61 2.56 0.45 0.37 0.52 -1.26 -5.00 118.95 112.98 1w2q s ARG 49 Ca 0.29 -0.82 0.21 0.00 -0.52 0.00 0.00 55.73 54.89 1w2q s ARG 49 Cb -0.00 -2.26 1.08 0.00 0.52 0.00 0.00 34.95 34.29 1w2q s ARG 49 CO 0.13 0.46 1.94 0.66 0.02 0.00 0.00 175.30 178.51 1w2q h SER 50 N 5.83 0.00 -3.51 0.23 4.64 -2.06 -3.42 113.55 115.27 1w2q h SER 50 Ca -0.37 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.42 1w2q h SER 50 Cb 1.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1w2q h SER 50 CO 0.49 0.23 0.27 -0.89 -0.87 0.00 0.00 176.83 176.06 1w2q s THR 51 N -4.13 4.58 -0.05 2.95 2.01 -1.26 -5.04 115.64 114.70 1w2q s THR 51 Ca -0.02 1.88 -0.10 0.00 0.31 0.00 0.00 61.69 63.75 1w2q s THR 51 Cb 0.13 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1w2q s THR 51 CO 0.65 0.35 0.28 -0.60 -0.69 0.00 0.00 174.62 174.61 1w2q s ARG 52 N -0.11 3.67 -0.00 4.92 3.52 -1.26 -4.96 118.95 124.73 1w2q s ARG 52 Ca 0.43 0.12 0.05 0.00 -0.13 0.00 0.00 55.73 56.19 1w2q s ARG 52 Cb -0.22 -3.18 0.14 0.00 -1.56 0.00 0.00 34.95 30.12 1w2q s ARG 52 CO 0.27 0.72 1.10 0.43 -0.81 0.00 0.00 175.30 177.01 1w2q n SER 53 N 1.78 0.88 -0.13 -2.12 7.64 -1.26 -3.97 113.62 116.43 1w2q n SER 53 Ca -0.16 -2.01 0.04 0.00 1.01 0.00 0.00 58.87 57.76 1w2q n SER 53 Cb 0.54 -0.12 0.35 0.00 -1.01 0.00 0.00 64.21 63.97 1w2q n SER 53 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1w2q h SER 54 N 0.91 0.65 0.17 6.43 0.02 -2.01 0.14 113.55 119.86 1w2q h SER 54 Ca 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1w2q h SER 54 Cb 0.23 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1w2q h SER 54 CO 0.00 0.45 -0.11 -0.78 -1.14 0.00 0.00 176.83 175.25 1w2q h ASP 55 N 0.76 0.00 0.62 3.07 3.58 -2.02 -1.58 116.42 120.85 1w2q h ASP 55 Ca 0.25 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.53 1w2q h ASP 55 Cb 0.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1w2q h ASP 55 CO -0.07 0.11 -0.78 1.56 -2.88 0.00 0.00 179.24 177.19 1w2q h GLN 56 N 0.00 0.11 -0.80 0.28 4.20 -1.26 -3.17 115.11 114.47 1w2q h GLN 56 Ca -0.00 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.60 1w2q h GLN 56 Cb 0.23 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1w2q h GLN 56 CO 0.01 0.83 0.53 1.96 -0.67 0.00 0.00 178.83 181.50 1w2q h GLN 57 N 0.07 1.06 -0.10 1.46 4.20 -1.04 -0.16 115.11 120.61 1w2q h GLN 57 Ca -0.02 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.65 1w2q h GLN 57 Cb 1.36 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 1w2q h GLN 57 CO 0.11 0.70 0.32 1.96 -0.67 0.00 0.00 178.83 181.25 1w2q h GLN 58 N 1.09 0.00 -0.33 1.46 4.20 -1.51 -0.47 115.11 119.55 1w2q h GLN 58 Ca 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1w2q h GLN 58 Cb -0.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1w2q h GLN 58 CO -0.06 0.00 0.18 -0.09 -0.67 0.00 0.00 178.83 178.19 1w2q h ARG 59 N 0.00 0.46 0.00 1.46 2.43 -1.14 -1.53 114.38 116.05 1w2q h ARG 59 Ca 0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1w2q h ARG 59 Cb 0.68 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1w2q h ARG 59 CO -0.00 0.38 0.00 0.00 -1.51 0.00 0.00 179.97 178.84 1w2q h ASP 62 N 0.29 0.79 -0.21 0.00 3.32 0.18 -1.52 116.42 119.27 1w2q h ASP 62 Ca 0.72 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.75 1w2q h ASP 62 Cb 1.64 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 1w2q h ASP 62 CO -0.62 0.50 0.03 -0.33 -1.72 0.00 0.00 179.24 177.09 1w2q h GLU 63 N 0.89 0.36 0.00 3.56 5.08 0.65 -1.47 114.58 123.66 1w2q h GLU 63 Ca 0.37 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1w2q h GLU 63 Cb 0.28 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1w2q h GLU 63 CO -0.14 0.52 0.00 -0.11 -1.00 0.00 0.00 179.01 178.28 1w2q n LEU 64 N -4.71 0.00 0.10 1.33 7.94 -0.65 -1.30 117.00 119.70 1w2q n LEU 64 Ca -0.04 0.40 -0.01 0.00 -1.11 0.00 0.00 56.01 55.25 1w2q n LEU 64 Cb 0.20 -0.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.72 1w2q n LEU 64 CO 0.37 -0.31 0.25 0.78 -1.11 0.00 0.00 177.39 177.37 1w2q h ASN 65 N 0.00 0.00 0.05 1.96 2.35 -0.43 -3.34 115.58 116.18 1w2q h ASN 65 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 1w2q h ASN 65 Cb 0.09 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.40 1w2q h ASN 65 CO 0.00 0.66 -2.33 -0.62 -1.65 0.00 0.00 177.43 173.50 1w2q n GLU 66 N -3.21 0.68 -1.22 0.81 -0.58 -0.42 -4.46 120.64 112.23 1w2q n GLU 66 Ca -0.01 0.06 -0.28 0.00 -0.42 0.00 0.00 57.16 56.51 1w2q n GLU 66 Cb 0.82 -1.55 -0.08 0.00 -0.57 0.00 0.00 31.44 30.05 1w2q n GLU 66 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1w2q n MET 67 N -2.90 3.05 -0.29 3.49 2.81 -0.71 -4.65 117.12 117.93 1w2q n MET 67 Ca -0.34 -1.79 0.33 0.00 -1.81 0.00 0.00 57.70 54.09 1w2q n MET 67 Cb 1.11 -2.47 0.61 0.00 -0.71 0.00 0.00 33.22 31.77 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 4.16 0.00 0.00 0.03 4.81 -1.78 1.55 114.58 123.35 1w2q h GLU 68 Ca 0.59 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.82 1w2q h GLU 68 Cb 0.77 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1w2q h GLU 68 CO 1.15 0.00 -0.02 -0.91 -0.73 0.00 0.00 179.01 178.51 1w2q h ASN 69 N 0.00 0.00 0.00 1.04 2.35 -1.93 -0.42 115.58 116.62 1w2q h ASN 69 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.30 1w2q h ASN 69 Cb 2.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.12 1w2q h ASN 69 CO -0.01 0.02 0.05 0.71 -1.65 0.00 0.00 177.43 176.55 1w2q h THR 70 N 0.00 0.00 -2.33 2.81 1.35 0.19 -3.42 112.91 111.51 1w2q h THR 70 Ca -0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 66.41 65.28 1w2q h THR 70 Cb 0.04 0.58 0.06 0.00 -1.73 0.00 0.00 68.15 67.10 1w2q h THR 70 CO 0.00 0.00 0.77 0.00 -0.25 0.00 0.00 175.52 176.04 1w2q n GLN 71 N -2.45 2.12 0.00 4.72 6.02 -0.17 -4.62 117.38 123.00 1w2q n GLN 71 Ca -0.02 0.76 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1w2q n GLN 71 Cb 0.09 -2.52 0.00 0.00 1.02 0.00 0.00 30.24 28.84 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 3.22 2.52 2.63 1.08 0.00 -1.26 -4.91 105.19 108.47 1w2q n GLY 72 Ca 0.16 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 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 0.01 0.32 -0.80 0.00 2.07 -1.91 0.24 114.93 114.85 1w2q h MET 74 Ca -0.33 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.29 1w2q h MET 74 Cb 1.20 -0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 30.82 1w2q h MET 74 CO 0.48 0.21 0.51 0.00 1.07 0.00 0.00 176.91 179.17 1w2q h GLU 76 N 1.10 0.00 0.01 0.00 4.39 -0.93 0.38 114.58 119.53 1w2q h GLU 76 Ca 0.29 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 1w2q h GLU 76 Cb -0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1w2q h GLU 76 CO -0.06 0.09 -0.00 0.00 -1.16 0.00 0.00 179.01 177.88 1w2q h ALA 77 N 1.91 -0.01 -0.33 3.43 0.00 -0.19 -2.37 119.26 121.69 1w2q h ALA 77 Ca -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1w2q h ALA 77 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1w2q h ALA 77 CO 0.01 -0.01 0.17 1.25 0.00 0.00 0.00 179.25 180.67 1w2q h LEU 78 N -1.00 0.25 -0.97 0.00 5.85 -1.23 -1.12 115.31 117.09 1w2q h LEU 78 Ca -0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1w2q h LEU 78 Cb 0.14 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 1w2q h LEU 78 CO 0.00 0.19 0.60 -0.61 -0.34 0.00 0.00 178.44 178.28 1w2q h GLN 79 N 0.35 0.90 -0.62 1.25 4.15 -0.37 0.03 115.11 120.80 1w2q h GLN 79 Ca 0.14 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 1w2q h GLN 79 Cb 0.04 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1w2q h GLN 79 CO -0.09 0.59 0.30 0.37 -1.93 0.00 0.00 178.83 178.07 1w2q h GLN 80 N 0.93 0.89 0.13 1.69 5.75 -0.68 -2.09 115.11 121.73 1w2q h GLN 80 Ca 0.49 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 1w2q h GLN 80 Cb 0.52 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1w2q h GLN 80 CO -0.28 0.71 -0.34 0.82 -2.65 0.00 0.00 178.83 177.09 1w2q h ILE 81 N 0.85 0.00 -0.67 2.39 2.04 -0.05 1.43 117.51 123.50 1w2q h ILE 81 Ca 0.21 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.20 1w2q h ILE 81 Cb 0.12 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.07 1w2q h ILE 81 CO -0.03 0.00 -0.21 0.24 0.00 0.00 0.00 178.15 178.15 1w2q h MET 82 N -0.52 -0.04 0.00 2.37 2.86 -1.37 2.10 114.93 120.33 1w2q h MET 82 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1w2q h MET 82 Cb 0.51 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1w2q h MET 82 CO -0.16 -0.03 0.00 0.93 1.06 0.00 0.00 176.91 178.72 1w2q h GLU 83 N -0.04 0.00 0.00 1.72 5.08 -0.60 1.53 114.58 122.27 1w2q h GLU 83 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1w2q h GLU 83 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1w2q h GLU 83 CO -0.71 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 176.39 1w2q h ASN 84 N 0.00 0.00 0.00 1.42 2.35 1.42 -3.40 115.58 117.37 1w2q h ASN 84 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1w2q h ASN 84 Cb 0.29 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.55 1w2q h ASN 84 CO 0.00 0.00 0.05 1.67 -1.65 0.00 0.00 177.43 177.50 1w2q n GLN 85 N -3.09 0.37 -0.14 0.81 7.27 -0.37 -4.98 117.38 117.25 1w2q n GLN 85 Ca 0.02 -0.94 0.04 0.00 0.07 0.00 0.00 57.00 56.20 1w2q n GLN 85 Cb 0.43 -0.10 0.12 0.00 2.41 0.00 0.00 30.24 33.09 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 1.53 0.51 0.69 0.00 3.58 -1.91 1.12 116.42 121.94 1w2q h ASP 87 Ca 0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1w2q h ASP 87 Cb 0.69 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1w2q h ASP 87 CO 0.00 -0.02 -0.67 -1.14 -2.88 0.00 0.00 179.24 174.53 1w2q n ARG 88 N -4.85 0.22 0.25 0.28 0.63 -1.26 -3.84 116.66 108.09 1w2q n ARG 88 Ca 0.30 0.05 0.09 0.00 -0.92 0.00 0.00 57.85 57.36 1w2q n ARG 88 Cb 0.95 -1.62 0.66 0.00 0.45 0.00 0.00 32.46 32.90 1w2q n ARG 88 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1w2q h LEU 89 N 0.00 0.00 -2.40 6.15 7.12 0.10 -1.04 115.31 125.24 1w2q h LEU 89 Ca 0.00 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.02 1w2q h LEU 89 Cb 0.68 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.81 1w2q h LEU 89 CO 0.00 0.10 0.04 1.56 -0.13 0.00 0.00 178.44 180.01 1w2q h GLN 90 N 0.00 0.00 -6.94 1.25 4.20 -1.63 -3.40 115.11 108.59 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 0.19 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.04 1w2q h GLN 90 CO 0.01 0.00 0.56 -0.51 -0.67 0.00 0.00 178.83 178.23 1w2q s ASP 91 N -6.13 6.44 0.64 1.46 1.01 -0.40 -4.83 116.67 114.86 1w2q s ASP 91 Ca -0.05 2.52 0.24 0.00 0.71 0.00 0.00 52.55 55.97 1w2q s ASP 91 Cb 0.15 -2.63 1.27 0.00 1.01 0.00 0.00 42.92 42.73 1w2q s ASP 91 CO 0.55 -0.75 1.72 0.03 0.21 0.00 0.00 175.17 176.93 1w2q h ARG 92 N 2.72 0.00 -6.58 8.23 3.08 -1.87 -3.35 114.38 116.60 1w2q h ARG 92 Ca -0.49 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.04 1w2q h ARG 92 Cb 1.24 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 1w2q h ARG 92 CO 0.63 0.00 0.28 -0.65 -1.07 0.00 0.00 179.97 179.15 1w2q s GLN 93 N -4.24 4.69 0.00 0.04 -0.21 -1.26 -3.20 119.66 115.48 1w2q s GLN 93 Ca -0.03 1.32 0.00 0.00 0.02 0.00 0.00 55.36 56.68 1w2q s GLN 93 Cb 0.09 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.80 1w2q s GLN 93 CO 0.31 0.44 0.00 -0.12 -2.12 0.00 0.00 175.29 173.80 1w2q n MET 94 N 1.98 0.00 0.00 2.91 1.56 -1.26 -4.73 117.12 117.57 1w2q n MET 94 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.41 1w2q n MET 94 Cb 0.48 -2.78 0.00 0.00 2.15 0.00 0.00 33.22 33.08 1w2q n MET 94 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1w2q n VAL 95 N -2.00 0.00 -0.29 1.12 0.31 -1.20 -1.78 118.33 114.50 1w2q n VAL 95 Ca 0.00 0.08 0.11 0.00 -0.01 0.00 0.00 64.34 64.52 1w2q n VAL 95 Cb 0.00 -0.27 0.26 0.00 -0.91 0.00 0.00 33.84 32.92 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 0.17 0.45 5.55 4.20 -1.92 0.51 115.11 124.06 1w2q h GLN 96 Ca 0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1w2q h GLN 96 Cb 0.00 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1w2q h GLN 96 CO 0.00 0.11 -0.39 1.96 -0.67 0.00 0.00 178.83 179.84 1w2q h GLN 97 N 0.17 -0.79 -0.97 1.46 4.20 -1.91 0.41 115.11 117.68 1w2q h GLN 97 Ca 0.53 0.05 0.11 0.00 0.06 0.00 0.00 58.65 59.40 1w2q h GLN 97 Cb 1.04 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.92 1w2q h GLN 97 CO -0.68 -0.53 0.62 0.35 -0.67 0.00 0.00 178.83 177.92 1w2q h PHE 98 N -0.82 1.07 -0.73 2.96 3.57 -0.33 0.11 116.94 122.77 1w2q h PHE 98 Ca -0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1w2q h PHE 98 Cb 0.70 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1w2q h PHE 98 CO -0.17 0.44 0.44 -0.22 -2.23 0.00 0.00 178.31 176.57 1w2q h LYS 99 N 0.95 0.99 0.33 1.11 3.64 0.65 1.78 116.57 126.02 1w2q h LYS 99 Ca 0.47 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1w2q h LYS 99 Cb 0.48 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1w2q h LYS 99 CO -0.23 0.70 -0.16 -0.09 -2.27 0.00 0.00 179.45 177.41 1w2q h ARG 100 N 1.00 -0.42 -0.61 1.90 2.43 0.17 0.35 114.38 119.19 1w2q h ARG 100 Ca 0.26 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1w2q h ARG 100 Cb -0.03 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1w2q h ARG 100 CO -0.05 -0.19 0.06 0.93 -1.51 0.00 0.00 179.97 179.20 1w2q h GLU 101 N -0.58 1.04 -0.13 0.20 5.08 -1.00 -2.06 114.58 117.13 1w2q h GLU 101 Ca -0.04 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1w2q h GLU 101 Cb 0.43 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1w2q h GLU 101 CO 0.07 1.00 0.01 1.25 -1.00 0.00 0.00 179.01 180.34 1w2q h LEU 102 N 0.95 0.17 -0.70 1.33 5.85 0.29 0.14 115.31 123.34 1w2q h LEU 102 Ca 0.18 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 1w2q h LEU 102 Cb 0.49 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1w2q h LEU 102 CO 0.02 0.20 -0.55 0.24 -0.34 0.00 0.00 178.44 178.01 1w2q h MET 103 N 0.19 0.29 0.00 1.25 2.86 0.38 -3.04 114.93 116.86 1w2q h MET 103 Ca 0.05 -0.18 -0.21 0.00 -2.06 0.00 0.00 59.70 57.29 1w2q h MET 103 Cb 0.12 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1w2q h MET 103 CO 0.00 0.76 -1.05 0.77 1.06 0.00 0.00 176.91 178.46 1w2q h SER 104 N 0.22 0.00 -0.80 1.22 0.02 -0.72 -3.33 113.55 110.16 1w2q h SER 104 Ca 0.00 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.11 1w2q h SER 104 Cb 1.04 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.43 1w2q h SER 104 CO 0.09 0.97 -0.24 0.25 -1.14 0.00 0.00 176.83 176.76 1w2q h LEU 105 N 0.00 -0.89 0.00 5.07 7.12 -0.65 2.09 115.31 128.06 1w2q h LEU 105 Ca -0.04 0.25 0.00 0.00 0.13 0.00 0.00 57.88 58.22 1w2q h LEU 105 Cb 1.77 0.54 0.00 0.00 -0.53 0.00 0.00 40.66 42.45 1w2q h LEU 105 CO 0.12 -0.28 0.00 -0.81 -0.13 0.00 0.00 178.44 177.34 1w2q n PRO 106 N -5.51 0.26 -0.11 5.25 -0.04 -1.25 -2.79 135.00 130.80 1w2q n PRO 106 Ca 0.10 0.11 -0.20 0.00 -0.04 0.00 0.00 63.50 63.47 1w2q n PRO 106 Cb 0.40 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.17 0.51 -0.07 0.54 6.02 0.68 -3.18 117.38 120.72 1w2q n GLN 107 Ca 0.07 0.17 0.24 0.00 -0.01 0.00 0.00 57.00 57.48 1w2q n GLN 107 Cb 0.07 -1.38 0.57 0.00 1.02 0.00 0.00 30.24 30.53 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 -0.42 0.00 0.00 -1.09 4.20 -0.61 2.27 115.11 119.46 1w2q h GLN 108 Ca -0.54 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1w2q h GLN 108 Cb 1.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.41 1w2q h GLN 108 CO -0.22 0.00 -0.95 0.00 -0.67 0.00 0.00 178.83 176.99 1w2q n ASN 110 N -1.62 -3.95 -0.05 0.00 5.03 0.77 -4.87 115.26 110.56 1w2q n ASN 110 Ca 0.04 -0.38 0.03 0.00 0.87 0.00 0.00 54.58 55.13 1w2q n ASN 110 Cb 0.36 -3.58 0.13 0.00 -1.02 0.00 0.00 39.78 35.68 1w2q n ASN 110 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1w2q n PHE 111 N -3.82 0.03 -1.66 3.10 7.35 -1.19 -4.90 117.46 116.38 1w2q n PHE 111 Ca -0.06 -0.02 -0.62 0.00 -0.76 0.00 0.00 57.45 55.99 1w2q n PHE 111 Cb 0.57 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.31 1w2q n PHE 111 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1w2q n ARG 112 N -0.48 0.27 -4.54 -4.13 0.63 -1.26 -4.93 116.66 102.21 1w2q n ARG 112 Ca 0.04 0.10 -0.26 0.00 -0.92 0.00 0.00 57.85 56.81 1w2q n ARG 112 Cb 0.04 -1.64 -0.09 0.00 0.45 0.00 0.00 32.46 31.22 1w2q n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1w2q s ALA 113 N 1.98 2.94 0.18 5.13 0.00 -1.26 -5.03 121.76 125.70 1w2q s ALA 113 Ca 0.98 -1.53 0.28 0.00 0.00 0.00 0.00 51.96 51.69 1w2q s ALA 113 Cb -1.32 0.53 1.19 0.00 0.00 0.00 0.00 23.12 23.52 1w2q s ALA 113 CO 0.69 -0.25 1.93 -1.00 0.00 0.00 0.00 175.76 177.14 1w2q h PRO 114 N 1.84 0.00 -6.18 0.00 0.13 -2.05 -3.44 132.00 122.30 1w2q h PRO 114 Ca -0.40 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.16 1w2q h PRO 114 Cb 1.27 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.29 1w2q h PRO 114 CO 0.67 0.13 -0.66 -0.65 -0.23 0.00 0.00 178.00 177.26 1w2q s GLN 115 N -3.75 2.13 0.28 0.86 -0.21 -1.26 -5.14 119.66 112.57 1w2q s GLN 115 Ca 0.00 -1.54 0.12 0.00 0.02 0.00 0.00 55.36 53.96 1w2q s GLN 115 Cb 0.10 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 32.02 1w2q s GLN 115 CO 0.59 0.33 -0.17 1.03 -2.12 0.00 0.00 175.29 174.95 1w2q s ARG 116 N -3.65 1.77 -0.48 2.91 0.52 -1.26 -5.06 118.95 113.71 1w2q s ARG 116 Ca 0.32 -1.71 -0.27 0.00 -0.52 0.00 0.00 55.73 53.55 1w2q s ARG 116 Cb -0.05 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.56 1w2q s ARG 116 CO 0.19 0.34 1.82 0.00 0.02 0.00 0.00 175.30 177.66 1w2q h ASP 118 N 13.95 0.00 0.62 0.00 3.32 -2.01 -1.07 116.42 131.23 1w2q h ASP 118 Ca -0.29 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.53 1w2q h ASP 118 Cb 1.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1w2q h ASP 118 CO 1.13 0.00 -1.01 -0.07 -1.72 0.00 0.00 179.24 177.57 1w2q h LEU 119 N 0.00 0.31 -1.88 1.55 4.07 -1.89 -3.17 115.31 114.30 1w2q h LEU 119 Ca 0.00 -0.28 0.26 0.00 0.08 0.00 0.00 57.88 57.93 1w2q h LEU 119 Cb 0.06 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 1w2q h LEU 119 CO 0.00 1.14 0.74 0.44 -1.08 0.00 0.00 178.44 179.68 1w2q h ASP 120 N 0.10 0.00 -0.25 -0.43 3.32 -1.58 0.68 116.42 118.26 1w2q h ASP 120 Ca -0.07 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 1w2q h ASP 120 Cb 1.69 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.22 1w2q h ASP 120 CO 0.16 0.00 -0.03 0.58 -1.72 0.00 0.00 179.24 178.23 1w2q h VAL 121 N 0.00 1.22 -3.76 -1.35 2.07 -1.68 -3.42 116.25 109.32 1w2q h VAL 121 Ca 0.42 -0.89 -0.68 0.00 0.82 0.00 0.00 66.70 66.37 1w2q h VAL 121 Cb 1.89 0.97 -0.19 0.00 -1.52 0.00 0.00 31.29 32.45 1w2q h VAL 121 CO -0.00 0.30 -0.80 -0.44 0.02 0.00 0.00 177.57 176.65 1w2q s SER 122 N -6.72 3.87 0.90 0.57 0.01 0.24 -5.13 113.70 107.43 1w2q s SER 122 Ca -0.08 -0.54 -0.10 0.00 1.31 0.00 0.00 55.95 56.54 1w2q s SER 122 Cb 0.15 -0.55 0.19 0.00 0.21 0.00 0.00 66.02 66.02 1w2q s SER 122 CO 0.78 0.19 1.16 0.61 0.41 0.00 0.00 173.24 176.38 1w2q n GLY 123 N 0.90 -0.71 0.00 3.44 0.00 -1.26 -4.86 105.19 102.69 1w2q n GLY 123 Ca -0.16 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.95 3.52 3.78 -0.02 0.00 -1.26 -4.98 105.19 103.27 1w2q n GLY 124 Ca 0.16 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1w2q n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2q s ARG 125 N 4.40 4.10 -0.66 1.61 0.52 -1.26 -1.26 118.95 126.39 1w2q s ARG 125 Ca 0.00 2.59 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 1w2q s ARG 125 Cb 0.00 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1w2q s ARG 125 CO 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 175.30 174.76