#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwi s ARG 9 N 0.00 3.56 -0.35 0.00 3.52 -1.26 -4.91 118.95 119.51 1gwi s ARG 9 Ca 0.00 1.95 -0.10 0.00 -0.13 0.00 0.00 55.73 57.45 1gwi s ARG 9 Cb 0.00 -2.38 0.02 0.00 -1.56 0.00 0.00 34.95 31.03 1gwi s ARG 9 CO 0.00 -0.77 0.18 0.42 -0.81 0.00 0.00 175.30 174.33 1gwi s ILE 10 N -1.44 4.50 -0.01 4.11 1.01 -0.80 -4.93 121.20 123.64 1gwi s ILE 10 Ca 0.66 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 1gwi s ILE 10 Cb -0.33 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1gwi s ILE 10 CO 0.40 -0.15 1.13 -2.84 0.00 0.00 0.00 174.94 173.48 1gwi s PRO 11 N 1.55 4.43 -0.41 2.79 0.02 -1.26 -1.10 135.00 141.03 1gwi s PRO 11 Ca 0.02 1.61 -0.23 0.00 0.02 0.00 0.00 61.00 62.43 1gwi s PRO 11 Cb -0.19 -3.46 0.02 0.00 0.02 0.00 0.00 34.50 30.89 1gwi s PRO 11 CO 0.06 -0.28 0.75 -0.51 -0.33 0.00 0.00 177.00 176.69 1gwi s LEU 12 N 1.53 4.24 -0.16 -5.54 1.43 -0.16 -4.91 118.68 115.11 1gwi s LEU 12 Ca 0.55 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.40 1gwi s LEU 12 Cb -0.25 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 1gwi s LEU 12 CO 0.25 -0.81 1.92 -0.62 0.23 0.00 0.00 176.35 177.33 1gwi s ASP 13 N 1.99 6.05 0.59 2.29 2.15 -1.26 -4.16 116.67 124.33 1gwi s ASP 13 Ca 0.29 1.97 0.36 0.00 0.43 0.00 0.00 52.55 55.60 1gwi s ASP 13 Cb -0.13 -2.52 1.85 0.00 -0.30 0.00 0.00 42.92 41.82 1gwi s ASP 13 CO 0.20 -1.47 2.18 -0.65 -0.17 0.00 0.00 175.17 175.26 1gwi h PRO 14 N 12.29 0.00 -0.12 4.34 0.11 -1.95 -0.67 132.00 146.00 1gwi h PRO 14 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1gwi h PRO 14 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1gwi h PRO 14 CO 0.97 0.03 0.00 1.19 -0.21 0.00 0.00 178.00 179.99 1gwi n PHE 15 N -3.28 0.14 -4.10 0.65 3.01 -1.26 -2.96 117.46 109.66 1gwi n PHE 15 Ca -0.02 -0.07 -0.41 0.00 1.01 0.00 0.00 57.45 57.96 1gwi n PHE 15 Cb 0.18 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1gwi n PHE 15 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1gwi n VAL 16 N 0.56 -2.12 0.95 -4.37 0.31 -0.26 -4.50 118.33 108.90 1gwi n VAL 16 Ca 0.17 -0.53 0.13 0.00 -0.01 0.00 0.00 64.34 64.10 1gwi n VAL 16 Cb 0.41 -1.83 0.47 0.00 -0.91 0.00 0.00 33.84 31.98 1gwi n VAL 16 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1gwi n THR 17 N -4.73 0.06 -2.79 2.52 -2.24 -1.26 -4.39 114.28 101.46 1gwi n THR 17 Ca -0.14 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.50 1gwi n THR 17 Cb 0.55 -0.26 0.05 0.00 -2.10 0.00 0.00 70.33 68.56 1gwi n THR 17 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1gwi n ASP 18 N -1.59 -2.47 0.02 3.42 2.03 -1.26 -5.04 116.55 111.66 1gwi n ASP 18 Ca 0.06 -3.36 -0.10 0.00 0.52 0.00 0.00 54.79 51.91 1gwi n ASP 18 Cb 0.35 1.64 -0.04 0.00 -0.72 0.00 0.00 41.12 42.35 1gwi n ASP 18 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1gwi h LEU 19 N 3.72 -0.48 -1.42 -2.67 5.85 -1.98 -1.54 115.31 116.78 1gwi h LEU 19 Ca -0.12 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1gwi h LEU 19 Cb 1.04 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1gwi h LEU 19 CO 0.29 -0.21 0.12 0.44 -0.34 0.00 0.00 178.44 178.74 1gwi h ASP 20 N -0.22 0.46 -0.35 1.25 3.45 -1.98 0.78 116.42 119.81 1gwi h ASP 20 Ca 0.08 -0.05 -0.14 0.00 0.43 0.00 0.00 57.03 57.35 1gwi h ASP 20 Cb 0.33 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1gwi h ASP 20 CO -0.21 0.44 -0.32 1.23 -1.57 0.00 0.00 179.24 178.81 1gwi h GLY 21 N 0.69 0.91 0.91 2.75 0.00 -1.92 -1.86 103.07 104.54 1gwi h GLY 21 Ca 0.12 -0.91 -0.04 0.00 0.00 0.00 0.00 47.33 46.50 1gwi h GLY 21 CO -0.01 0.82 0.06 -2.09 0.00 0.00 0.00 176.54 175.32 1gwi h GLU 22 N 0.62 0.56 -0.73 4.80 4.81 -0.81 -2.14 114.58 121.70 1gwi h GLU 22 Ca 0.06 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1gwi h GLU 22 Cb 0.90 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 1gwi h GLU 22 CO 0.08 0.64 0.45 0.77 -0.73 0.00 0.00 179.01 180.22 1gwi h SER 23 N 0.40 0.73 -0.25 1.04 0.02 -0.79 0.07 113.55 114.78 1gwi h SER 23 Ca 0.10 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1gwi h SER 23 Cb 0.35 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1gwi h SER 23 CO 0.01 0.50 0.15 0.00 -1.14 0.00 0.00 176.83 176.34 1gwi h ALA 24 N 1.32 0.31 -0.76 3.77 0.00 -1.12 -0.67 119.26 122.11 1gwi h ALA 24 Ca 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1gwi h ALA 24 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1gwi h ALA 24 CO -0.12 -0.24 0.41 0.00 0.00 0.00 0.00 179.25 179.29 1gwi h ARG 25 N 0.30 1.06 -0.48 0.00 3.08 -0.82 -0.98 114.38 116.55 1gwi h ARG 25 Ca 0.09 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1gwi h ARG 25 Cb -0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1gwi h ARG 25 CO -0.04 0.78 0.19 -0.07 -1.07 0.00 0.00 179.97 179.77 1gwi h LEU 26 N 1.06 0.66 -0.53 3.04 3.38 -0.36 -0.93 115.31 121.63 1gwi h LEU 26 Ca 0.27 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1gwi h LEU 26 Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1gwi h LEU 26 CO -0.04 0.65 0.12 0.03 0.09 0.00 0.00 178.44 179.29 1gwi h ARG 27 N 0.63 0.85 -0.91 1.13 3.08 -0.75 -1.60 114.38 116.81 1gwi h ARG 27 Ca 0.16 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 60.05 1gwi h ARG 27 Cb 0.19 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 1gwi h ARG 27 CO -0.01 0.81 0.59 0.00 -1.07 0.00 0.00 179.97 180.29 1gwi h ALA 28 N 1.00 1.47 -0.13 0.04 0.00 -0.89 -0.59 119.26 120.16 1gwi h ALA 28 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gwi h ALA 28 Cb 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1gwi h ALA 28 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1gwi n ALA 29 N -2.39 2.54 -1.29 0.00 0.00 -0.38 -4.93 120.51 114.05 1gwi n ALA 29 Ca 0.13 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 1gwi n ALA 29 Cb 0.15 -1.13 0.21 0.00 0.00 0.00 0.00 19.45 18.69 1gwi n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1gwi s GLY 30 N -1.61 1.62 0.22 0.00 0.00 -0.23 -3.73 107.32 103.59 1gwi s GLY 30 Ca 0.32 -0.89 -0.05 0.00 0.00 0.00 0.00 44.72 44.10 1gwi s GLY 30 CO 0.26 -0.09 1.69 -2.55 0.00 0.00 0.00 173.10 172.41 1gwi h PRO 31 N -2.23 0.91 -4.75 2.90 0.11 -1.91 -3.47 132.00 123.56 1gwi h PRO 31 Ca -0.46 -0.28 -0.69 0.00 0.11 0.00 0.00 66.00 64.67 1gwi h PRO 31 Cb 1.29 -0.08 -0.29 0.00 0.11 0.00 0.00 31.00 32.03 1gwi h PRO 31 CO 0.40 0.93 -0.64 -1.17 -0.21 0.00 0.00 178.00 177.31 1gwi s LEU 32 N -9.18 4.00 -0.12 2.35 2.96 -1.26 -0.35 118.68 117.07 1gwi s LEU 32 Ca -0.10 -1.03 -0.03 0.00 -0.22 0.00 0.00 54.13 52.75 1gwi s LEU 32 Cb 0.14 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1gwi s LEU 32 CO 0.84 -0.26 -0.02 0.00 -1.32 0.00 0.00 176.35 175.59 1gwi s ALA 33 N 1.39 3.14 -0.16 5.97 0.00 0.48 -4.92 121.76 127.66 1gwi s ALA 33 Ca -0.01 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 1gwi s ALA 33 Cb -0.19 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 1gwi s ALA 33 CO 0.01 0.40 1.04 0.00 0.00 0.00 0.00 175.76 177.21 1gwi s ALA 34 N -0.26 3.55 0.19 0.00 0.00 -1.26 -1.16 121.76 122.83 1gwi s ALA 34 Ca 0.05 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1gwi s ALA 34 Cb -0.12 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1gwi s ALA 34 CO 0.02 -0.85 -0.00 0.14 0.00 0.00 0.00 175.76 175.07 1gwi s VAL 35 N 2.64 0.79 -0.13 0.00 -7.23 -0.60 -1.90 120.40 113.97 1gwi s VAL 35 Ca 0.47 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1gwi s VAL 35 Cb -0.17 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.60 1gwi s VAL 35 CO 0.12 -0.43 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.69 1gwi s GLU 36 N -3.90 2.57 0.49 4.82 2.02 -0.26 -1.48 118.70 122.98 1gwi s GLU 36 Ca 0.25 -0.69 -0.14 0.00 0.02 0.00 0.00 54.97 54.41 1gwi s GLU 36 Cb 0.06 -2.16 -0.07 0.00 0.10 0.00 0.00 34.13 32.05 1gwi s GLU 36 CO 0.05 -0.08 0.93 -0.51 0.02 0.00 0.00 175.26 175.68 1gwi s LEU 37 N 1.01 3.65 -0.02 1.80 1.43 0.91 -0.99 118.68 126.47 1gwi s LEU 37 Ca -0.05 1.44 -0.40 0.00 -1.03 0.00 0.00 54.13 54.09 1gwi s LEU 37 Cb -0.15 -4.37 -0.19 0.00 0.03 0.00 0.00 46.19 41.51 1gwi s LEU 37 CO -0.04 -0.56 1.15 -2.65 0.23 0.00 0.00 176.35 174.48 1gwi n PRO 38 N -1.61 0.20 -0.09 1.29 -0.02 -1.26 -1.17 135.00 132.34 1gwi n PRO 38 Ca 0.05 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1gwi n PRO 38 Cb 0.54 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1gwi n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gwi n GLY 39 N 1.83 0.56 1.76 -1.23 0.00 -1.26 -4.40 105.19 102.46 1gwi n GLY 39 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1gwi n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwi n GLY 40 N -2.00 0.56 3.48 -0.02 0.00 -0.32 -5.04 105.19 101.84 1gwi n GLY 40 Ca 0.00 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1gwi n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gwi s VAL 41 N -2.00 5.19 0.27 1.61 1.01 -0.90 -4.87 120.40 120.70 1gwi s VAL 41 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 1gwi s VAL 41 Cb 0.00 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1gwi s VAL 41 CO 0.00 -0.33 1.11 -2.16 0.00 0.00 0.00 175.10 173.71 1gwi s PRO 42 N 1.88 4.63 0.27 2.72 0.04 -1.26 -0.06 135.00 143.21 1gwi s PRO 42 Ca 0.08 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 1gwi s PRO 42 Cb -0.18 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1gwi s PRO 42 CO 0.12 0.18 0.63 0.14 0.04 0.00 0.00 177.00 178.10 1gwi s VAL 43 N -1.05 0.00 0.12 -0.36 -7.23 -0.55 -4.86 120.40 106.46 1gwi s VAL 43 Ca 0.45 -1.15 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 1gwi s VAL 43 Cb -0.32 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1gwi s VAL 43 CO 0.41 -0.00 0.26 0.26 -0.31 0.00 0.00 175.10 175.72 1gwi s TRP 44 N -3.96 3.50 -0.03 2.82 0.52 -0.21 -1.55 118.94 120.03 1gwi s TRP 44 Ca 0.15 0.18 0.00 0.00 0.02 0.00 0.00 56.10 56.45 1gwi s TRP 44 Cb -0.04 -1.71 0.03 0.00 -1.15 0.00 0.00 33.47 30.60 1gwi s TRP 44 CO 0.08 0.54 0.01 0.00 0.02 0.00 0.00 176.95 177.60 1gwi s ALA 45 N -1.66 0.27 -0.21 0.98 0.00 -0.31 -0.83 121.76 120.01 1gwi s ALA 45 Ca 0.35 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 52.30 1gwi s ALA 45 Cb -0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1gwi s ALA 45 CO 0.28 -0.14 0.60 0.54 0.00 0.00 0.00 175.76 177.05 1gwi s VAL 46 N 1.18 5.03 -0.40 0.00 0.11 -0.93 -0.39 120.40 125.00 1gwi s VAL 46 Ca -0.08 1.12 0.05 0.00 -2.93 0.00 0.00 61.98 60.13 1gwi s VAL 46 Cb -0.13 -3.92 0.13 0.00 -1.53 0.00 0.00 36.38 30.93 1gwi s VAL 46 CO -0.02 0.11 1.10 0.35 -3.33 0.00 0.00 175.10 173.31 1gwi n THR 47 N 4.76 0.98 -4.95 5.04 -2.24 0.52 -2.36 114.28 116.04 1gwi n THR 47 Ca -0.02 -0.99 -0.30 0.00 -2.27 0.00 0.00 64.05 60.47 1gwi n THR 47 Cb 0.50 0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 69.09 1gwi n THR 47 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1gwi s HIS 48 N -0.99 2.26 0.06 4.78 3.76 -1.26 -3.59 115.29 120.32 1gwi s HIS 48 Ca 0.10 -0.41 -0.17 0.00 -0.15 0.00 0.00 55.06 54.42 1gwi s HIS 48 Cb 0.05 -1.37 -0.07 0.00 1.11 0.00 0.00 32.58 32.30 1gwi s HIS 48 CO 0.07 0.09 1.28 1.25 -0.85 0.00 0.00 174.74 176.58 1gwi h HIS 49 N 4.93 -0.83 -0.32 1.40 -0.00 -1.94 -1.67 115.15 116.72 1gwi h HIS 49 Ca -0.45 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.02 1gwi h HIS 49 Cb 1.14 0.37 -0.08 0.00 -0.00 0.00 0.00 27.41 28.84 1gwi h HIS 49 CO 0.47 -0.28 -0.28 0.00 -0.00 0.00 0.00 177.93 177.83 1gwi h ALA 50 N -0.87 -0.15 -0.42 5.26 0.00 -1.97 -1.96 119.26 119.16 1gwi h ALA 50 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1gwi h ALA 50 Cb 0.35 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1gwi h ALA 50 CO -0.22 -0.69 0.18 0.93 0.00 0.00 0.00 179.25 179.45 1gwi h GLU 51 N -0.25 0.59 -0.19 0.00 3.07 -1.95 -2.56 114.58 113.29 1gwi h GLU 51 Ca 0.16 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1gwi h GLU 51 Cb 0.50 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1gwi h GLU 51 CO -0.46 0.48 0.08 0.00 -1.40 0.00 0.00 179.01 177.71 1gwi h ALA 52 N 1.61 0.24 -0.64 3.43 0.00 -0.56 -1.80 119.26 121.54 1gwi h ALA 52 Ca 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gwi h ALA 52 Cb 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1gwi h ALA 52 CO -0.02 -0.17 0.38 0.87 0.00 0.00 0.00 179.25 180.32 1gwi h LYS 53 N 0.15 0.87 0.06 0.00 1.57 -1.18 0.18 116.57 118.22 1gwi h LYS 53 Ca 0.06 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1gwi h LYS 53 Cb 0.17 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1gwi h LYS 53 CO -0.01 0.61 -0.03 0.00 -0.57 0.00 0.00 179.45 179.46 1gwi h ALA 54 N 1.54 -0.08 -0.47 3.86 0.00 -1.18 -2.80 119.26 120.13 1gwi h ALA 54 Ca 0.23 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1gwi h ALA 54 Cb -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gwi h ALA 54 CO -0.04 -0.45 -0.05 -0.07 0.00 0.00 0.00 179.25 178.63 1gwi h LEU 55 N -0.26 0.78 -2.45 0.00 3.38 -1.02 -2.22 115.31 113.52 1gwi h LEU 55 Ca -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1gwi h LEU 55 Cb 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1gwi h LEU 55 CO 0.01 0.88 -0.03 -0.07 0.09 0.00 0.00 178.44 179.33 1gwi h LEU 56 N 0.74 0.00 -2.95 1.67 3.38 -0.89 -1.57 115.31 115.68 1gwi h LEU 56 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1gwi h LEU 56 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1gwi h LEU 56 CO 0.03 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1gwi n THR 57 N -3.35 1.21 -3.17 0.22 -2.24 -0.98 -4.57 114.28 101.41 1gwi n THR 57 Ca -0.02 -1.15 -0.43 0.00 -2.27 0.00 0.00 64.05 60.17 1gwi n THR 57 Cb 0.14 0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 1gwi n THR 57 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gwi s ASP 58 N -1.17 6.27 0.00 3.42 -1.08 -0.59 -4.93 116.67 118.58 1gwi s ASP 58 Ca 0.24 -0.54 0.00 0.00 -0.52 0.00 0.00 52.55 51.72 1gwi s ASP 58 Cb 0.14 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 39.32 1gwi s ASP 58 CO 0.13 -0.75 0.90 -0.81 0.52 0.00 0.00 175.17 175.16 1gwi n PRO 59 N 6.07 0.00 0.16 4.34 -0.04 -1.26 -1.20 135.00 143.07 1gwi n PRO 59 Ca -0.04 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 63.87 1gwi n PRO 59 Cb 0.47 -1.56 0.09 0.00 -0.04 0.00 0.00 33.50 32.46 1gwi n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gwi h ARG 60 N 0.00 0.00 -4.73 0.54 3.08 -1.92 -3.40 114.38 107.95 1gwi h ARG 60 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 1gwi h ARG 60 Cb 0.11 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.97 1gwi h ARG 60 CO 0.00 0.43 -0.07 -0.51 -1.07 0.00 0.00 179.97 178.75 1gwi s LEU 61 N -6.50 5.22 0.39 3.04 2.01 -0.34 -0.76 118.68 121.74 1gwi s LEU 61 Ca 0.04 -1.09 0.08 0.00 0.01 0.00 0.00 54.13 53.17 1gwi s LEU 61 Cb 0.08 -2.35 -0.04 0.00 0.01 0.00 0.00 46.19 43.88 1gwi s LEU 61 CO 0.73 -0.83 0.21 0.68 1.01 0.00 0.00 176.35 178.14 1gwi s VAL 62 N 2.31 2.59 -0.09 -1.59 -7.23 -0.38 -4.81 120.40 111.20 1gwi s VAL 62 Ca 0.11 -1.63 0.14 0.00 -1.81 0.00 0.00 61.98 58.80 1gwi s VAL 62 Cb -0.21 -2.99 -0.11 0.00 0.56 0.00 0.00 36.38 33.63 1gwi s VAL 62 CO 0.10 -0.05 1.02 0.11 -0.31 0.00 0.00 175.10 175.96 1gwi h LYS 63 N 1.38 0.00 -5.55 4.82 1.79 -1.85 0.14 116.57 117.30 1gwi h LYS 63 Ca -0.43 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.43 1gwi h LYS 63 Cb 1.26 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.85 1gwi h LYS 63 CO 0.65 0.47 1.55 -3.47 -1.08 0.00 0.00 179.45 177.57 1gwi n ASP 64 N -3.06 0.94 0.32 0.86 2.03 -1.26 -4.78 116.55 111.60 1gwi n ASP 64 Ca -0.06 0.32 0.20 0.00 0.52 0.00 0.00 54.79 55.77 1gwi n ASP 64 Cb 0.86 -1.03 1.10 0.00 -0.72 0.00 0.00 41.12 41.33 1gwi n ASP 64 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1gwi h ILE 65 N 7.49 0.09 0.00 5.18 2.10 -1.90 -2.12 117.51 128.36 1gwi h ILE 65 Ca -0.12 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.80 1gwi h ILE 65 Cb 1.34 0.94 -0.00 0.00 -1.09 0.00 0.00 36.82 38.01 1gwi h ILE 65 CO 1.21 0.00 -0.07 0.78 -1.08 0.00 0.00 178.15 178.99 1gwi h ASN 66 N 0.00 0.00 0.95 2.19 -0.26 -2.00 -1.65 115.58 114.81 1gwi h ASN 66 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1gwi h ASN 66 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1gwi h ASN 66 CO -0.00 0.07 0.00 0.52 -1.06 0.00 0.00 177.43 176.96 1gwi n VAL 67 N -3.48 0.44 -2.46 2.81 0.31 -0.80 -4.69 118.33 110.46 1gwi n VAL 67 Ca -0.02 0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.91 1gwi n VAL 67 Cb 0.20 -0.70 -0.02 0.00 -0.91 0.00 0.00 33.84 32.40 1gwi n VAL 67 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1gwi s TRP 68 N -3.05 2.54 0.08 3.52 -0.00 -0.62 -3.89 118.94 117.51 1gwi s TRP 68 Ca 0.11 0.64 -0.28 0.00 -0.00 0.00 0.00 56.10 56.56 1gwi s TRP 68 Cb 0.14 -4.39 -0.13 0.00 -0.00 0.00 0.00 33.47 29.10 1gwi s TRP 68 CO 0.47 -1.71 1.45 0.78 -0.00 0.00 0.00 176.95 177.94 1gwi h GLY 69 N 11.98 -1.17 0.00 5.86 0.00 -0.98 -0.72 103.07 118.03 1gwi h GLY 69 Ca -0.26 0.58 0.24 0.00 0.00 0.00 0.00 47.33 47.89 1gwi h GLY 69 CO 1.12 -0.33 0.77 0.00 0.00 0.00 0.00 176.54 178.10 1gwi h ALA 70 N -0.91 2.66 0.24 3.60 0.00 -1.92 -1.09 119.26 121.84 1gwi h ALA 70 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1gwi h ALA 70 Cb 0.66 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1gwi h ALA 70 CO -0.14 -1.19 -0.11 2.35 0.00 0.00 0.00 179.25 180.16 1gwi h TRP 71 N 0.00 -0.29 0.00 0.00 2.91 -1.51 -2.74 115.95 114.32 1gwi h TRP 71 Ca 0.39 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.41 1gwi h TRP 71 Cb 1.92 0.10 0.00 0.00 -0.51 0.00 0.00 29.16 30.67 1gwi h TRP 71 CO 0.00 0.02 0.25 0.54 -1.03 0.00 0.00 178.44 178.22 1gwi n ARG 72 N -4.98 0.07 0.00 2.65 1.74 -0.43 -4.37 116.66 111.33 1gwi n ARG 72 Ca -0.07 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1gwi n ARG 72 Cb 0.23 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 1gwi n ARG 72 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1gwi n ARG 73 N -1.86 3.46 -0.77 5.56 1.74 -1.08 -5.05 116.66 118.66 1gwi n ARG 73 Ca -0.01 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.13 1gwi n ARG 73 Cb 0.26 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.84 1gwi n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gwi n GLY 74 N 5.00 3.67 0.03 -0.13 0.00 -1.25 -4.74 105.19 107.77 1gwi n GLY 74 Ca 0.00 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.07 1gwi n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gwi n GLU 75 N -0.64 0.07 -3.63 1.61 1.02 -1.04 -4.60 120.64 113.43 1gwi n GLU 75 Ca 0.14 0.14 -0.40 0.00 -0.02 0.00 0.00 57.16 57.02 1gwi n GLU 75 Cb 0.81 -1.59 -0.11 0.00 -0.02 0.00 0.00 31.44 30.53 1gwi n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1gwi s ILE 76 N -3.05 4.29 0.16 -3.67 1.09 -1.25 -5.02 121.20 113.76 1gwi s ILE 76 Ca 0.11 -1.12 -0.34 0.00 -1.10 0.00 0.00 60.65 58.19 1gwi s ILE 76 Cb 0.14 -3.50 -0.14 0.00 -1.06 0.00 0.00 42.46 37.91 1gwi s ILE 76 CO 0.46 -0.33 1.53 -2.65 -0.10 0.00 0.00 174.94 173.85 1gwi n PRO 77 N 4.93 2.01 0.33 2.79 -0.02 -1.26 -4.85 135.00 138.93 1gwi n PRO 77 Ca -0.11 0.72 0.22 0.00 -2.02 0.00 0.00 63.50 62.31 1gwi n PRO 77 Cb 0.44 -2.47 1.18 0.00 -0.02 0.00 0.00 33.50 32.64 1gwi n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gwi h ALA 78 N 5.58 1.00 -0.37 3.55 0.00 -1.97 0.14 119.26 127.19 1gwi h ALA 78 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1gwi h ALA 78 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1gwi h ALA 78 CO 0.86 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.71 1gwi n ASP 79 N -3.05 3.33 -4.59 0.00 5.68 -1.26 -4.97 116.55 111.68 1gwi n ASP 79 Ca -0.03 -1.95 -0.50 0.00 -0.50 0.00 0.00 54.79 51.81 1gwi n ASP 79 Cb 0.08 -0.24 -0.06 0.00 -1.14 0.00 0.00 41.12 39.77 1gwi n ASP 79 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 1gwi n TRP 80 N 1.35 1.98 -0.28 2.11 -0.00 0.03 -4.85 117.44 117.79 1gwi n TRP 80 Ca 0.18 0.17 0.09 0.00 -0.00 0.00 0.00 57.50 57.94 1gwi n TRP 80 Cb 0.57 -2.59 0.24 0.00 -0.00 0.00 0.00 31.31 29.52 1gwi n TRP 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1gwi h PRO 81 N 10.73 0.23 0.00 5.87 0.11 -1.91 0.35 132.00 147.37 1gwi h PRO 81 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1gwi h PRO 81 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1gwi h PRO 81 CO 0.98 0.15 0.00 1.28 -0.21 0.00 0.00 178.00 180.20 1gwi n LEU 82 N -5.20 0.00 -0.05 2.35 4.77 -1.26 -3.98 117.00 113.63 1gwi n LEU 82 Ca 0.18 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.30 1gwi n LEU 82 Cb 0.57 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 42.23 1gwi n LEU 82 CO 0.09 0.00 1.18 -0.29 -1.33 0.00 0.00 177.39 177.04 1gwi h ILE 83 N 0.00 0.85 -0.51 -0.08 2.10 -1.29 -1.73 117.51 116.84 1gwi h ILE 83 Ca 0.00 -0.09 -0.06 0.00 1.08 0.00 0.00 64.86 65.79 1gwi h ILE 83 Cb 0.00 0.55 -0.02 0.00 -1.09 0.00 0.00 36.82 36.26 1gwi h ILE 83 CO 0.00 0.05 0.09 1.23 -1.08 0.00 0.00 178.15 178.44 1gwi h GLY 84 N 0.27 0.87 1.99 8.18 0.00 -1.79 0.58 103.07 113.16 1gwi h GLY 84 Ca 0.26 -0.52 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 1gwi h GLY 84 CO -0.06 0.49 -0.85 1.41 0.00 0.00 0.00 176.54 177.53 1gwi h LEU 85 N 0.77 0.00 -0.10 3.11 3.38 -1.64 -3.03 115.31 117.79 1gwi h LEU 85 Ca 0.16 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 1gwi h LEU 85 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1gwi h LEU 85 CO 0.01 0.85 -1.02 0.00 0.09 0.00 0.00 178.44 178.37 1gwi h ALA 86 N 1.15 0.33 -2.17 1.53 0.00 -1.10 -3.39 119.26 115.62 1gwi h ALA 86 Ca -0.01 -0.78 -0.58 0.00 0.00 0.00 0.00 54.91 53.53 1gwi h ALA 86 Cb 1.65 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 19.00 1gwi h ALA 86 CO 0.11 0.93 -0.86 -1.71 0.00 0.00 0.00 179.25 177.73 1gwi n ASN 87 N -3.62 1.78 -4.70 0.00 4.05 0.17 -4.86 115.26 108.09 1gwi n ASN 87 Ca -0.06 -3.01 -0.29 0.00 0.45 0.00 0.00 54.58 51.67 1gwi n ASN 87 Cb 0.89 -0.65 0.16 0.00 1.23 0.00 0.00 39.78 41.41 1gwi n ASN 87 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 1gwi s PRO 88 N -1.65 0.77 0.72 1.20 0.02 -1.15 -4.76 135.00 130.15 1gwi s PRO 88 Ca 0.36 0.63 -0.11 0.00 0.02 0.00 0.00 61.00 61.91 1gwi s PRO 88 Cb 0.14 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.92 1gwi s PRO 88 CO -0.08 -2.53 1.07 0.20 -0.33 0.00 0.00 177.00 175.33 1gwi s GLY 89 N -3.46 1.67 0.15 0.52 0.00 -1.26 -4.93 107.32 100.01 1gwi s GLY 89 Ca 0.65 0.12 -0.34 0.00 0.00 0.00 0.00 44.72 45.15 1gwi s GLY 89 CO 0.57 0.45 1.47 0.54 0.00 0.00 0.00 173.10 176.12 1gwi n ARG 90 N -3.25 1.80 -3.03 2.90 1.74 -1.26 -4.71 116.66 110.85 1gwi n ARG 90 Ca 0.08 0.65 0.01 0.00 -0.77 0.00 0.00 57.85 57.82 1gwi n ARG 90 Cb 0.53 -2.35 0.01 0.00 -1.02 0.00 0.00 32.46 29.63 1gwi n ARG 90 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1gwi n SER 91 N 2.93 -0.72 0.24 0.55 3.41 -1.26 -4.84 113.62 113.92 1gwi n SER 91 Ca 0.17 -1.19 0.16 0.00 -0.26 0.00 0.00 58.87 57.75 1gwi n SER 91 Cb 0.26 1.13 0.78 0.00 -0.26 0.00 0.00 64.21 66.12 1gwi n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gwi h MET 92 N 0.00 0.00 -0.18 4.33 -0.00 -1.94 -2.51 114.93 114.63 1gwi h MET 92 Ca -0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.44 1gwi h MET 92 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.26 1gwi h MET 92 CO 0.18 0.00 -0.45 1.25 -0.00 0.00 0.00 176.91 177.89 1gwi h LEU 93 N 0.00 0.48 -1.40 -0.10 5.85 -1.93 -3.29 115.31 114.92 1gwi h LEU 93 Ca 0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1gwi h LEU 93 Cb 0.20 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1gwi h LEU 93 CO 0.00 0.86 0.00 0.35 -0.34 0.00 0.00 178.44 179.31 1gwi n THR 94 N -4.00 0.21 -4.53 1.05 -2.24 -0.95 -4.91 114.28 98.91 1gwi n THR 94 Ca -0.02 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 61.09 1gwi n THR 94 Cb 0.53 0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 1gwi n THR 94 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1gwi s VAL 95 N -1.79 1.35 0.29 2.28 -7.23 -1.24 -4.24 120.40 109.80 1gwi s VAL 95 Ca 0.34 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 1gwi s VAL 95 Cb 0.19 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 1gwi s VAL 95 CO 0.29 0.00 0.31 0.47 -0.31 0.00 0.00 175.10 175.86 1gwi n ASP 96 N -0.88 -0.84 0.00 4.85 8.00 -1.26 -4.73 116.55 121.69 1gwi n ASP 96 Ca -0.05 -2.73 0.00 0.00 0.71 0.00 0.00 54.79 52.72 1gwi n ASP 96 Cb 0.67 1.73 0.00 0.00 -0.02 0.00 0.00 41.12 43.50 1gwi n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gwi n GLY 97 N -0.51 1.52 0.30 0.44 0.00 -1.26 -2.40 105.19 103.29 1gwi n GLY 97 Ca 0.04 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.64 1gwi n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwi h ALA 98 N -0.69 1.28 -0.74 4.61 0.00 -2.00 0.18 119.26 121.91 1gwi h ALA 98 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1gwi h ALA 98 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1gwi h ALA 98 CO 0.00 -0.18 0.33 0.93 0.00 0.00 0.00 179.25 180.34 1gwi h GLU 99 N 0.53 1.07 -0.13 0.00 5.08 -1.97 -1.59 114.58 117.57 1gwi h GLU 99 Ca 0.48 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.56 1gwi h GLU 99 Cb 0.76 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1gwi h GLU 99 CO -0.41 0.84 -0.38 1.25 -1.00 0.00 0.00 179.01 179.31 1gwi h HIS 100 N 1.06 0.64 -0.40 4.33 2.76 -0.71 -3.06 115.15 119.77 1gwi h HIS 100 Ca 0.25 -0.25 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1gwi h HIS 100 Cb 0.14 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1gwi h HIS 100 CO 0.01 1.00 0.26 0.00 -1.30 0.00 0.00 177.93 177.90 1gwi h ARG 101 N 0.10 0.46 -0.15 5.26 3.08 -0.51 -0.78 114.38 121.84 1gwi h ARG 101 Ca -0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1gwi h ARG 101 Cb 1.00 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1gwi h ARG 101 CO 0.08 0.31 0.03 -0.09 -1.07 0.00 0.00 179.97 179.23 1gwi h ARG 102 N 0.48 0.25 -0.31 0.04 2.43 -1.26 -1.18 114.38 114.82 1gwi h ARG 102 Ca 0.15 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1gwi h ARG 102 Cb 0.03 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1gwi h ARG 102 CO -0.04 0.41 0.04 -0.07 -1.51 0.00 0.00 179.97 178.81 1gwi h LEU 103 N 0.05 0.49 -0.66 3.80 3.38 -1.32 -2.22 115.31 118.82 1gwi h LEU 103 Ca 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1gwi h LEU 103 Cb 0.28 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1gwi h LEU 103 CO 0.00 0.63 0.32 0.03 0.09 0.00 0.00 178.44 179.51 1gwi h ARG 104 N 0.33 0.96 -0.42 1.13 2.47 -1.14 -0.24 114.38 117.46 1gwi h ARG 104 Ca 0.09 -0.14 -0.11 0.00 -1.26 0.00 0.00 59.98 58.56 1gwi h ARG 104 Cb 0.35 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1gwi h ARG 104 CO 0.01 0.76 -0.17 1.79 0.56 0.00 0.00 179.97 182.92 1gwi h THR 105 N 0.92 1.27 -0.15 2.04 1.35 -1.16 0.09 112.91 117.26 1gwi h THR 105 Ca 0.23 -1.26 -0.07 0.00 -0.55 0.00 0.00 66.41 64.76 1gwi h THR 105 Cb 0.12 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1gwi h THR 105 CO -0.03 0.43 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.42 1gwi h LEU 106 N 0.71 0.41 -1.00 3.87 3.38 -1.22 -3.13 115.31 118.34 1gwi h LEU 106 Ca 0.11 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 1gwi h LEU 106 Cb 0.67 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1gwi h LEU 106 CO 0.05 0.83 0.13 0.58 0.09 0.00 0.00 178.44 180.12 1gwi h VAL 107 N 0.00 1.23 0.00 1.22 2.07 -0.97 -2.24 116.25 117.56 1gwi h VAL 107 Ca 0.02 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1gwi h VAL 107 Cb 0.73 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1gwi h VAL 107 CO 0.04 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.95 1gwi n ALA 108 N -2.46 1.26 0.29 1.67 0.00 0.01 -0.61 120.51 120.67 1gwi n ALA 108 Ca 0.04 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1gwi n ALA 108 Cb 0.23 -1.26 0.14 0.00 0.00 0.00 0.00 19.45 18.57 1gwi n ALA 108 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1gwi h GLN 109 N 0.00 0.00 0.00 0.00 4.20 -1.35 -3.38 115.11 114.57 1gwi h GLN 109 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1gwi h GLN 109 Cb 0.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1gwi h GLN 109 CO 0.00 0.00 -1.29 0.00 -0.67 0.00 0.00 178.83 176.87 1gwi n ALA 110 N -2.04 1.18 -2.86 3.87 0.00 0.22 -4.73 120.51 116.15 1gwi n ALA 110 Ca 0.03 -0.80 -0.44 0.00 0.00 0.00 0.00 53.44 52.23 1gwi n ALA 110 Cb 0.51 0.09 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1gwi n ALA 110 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1gwi s LEU 111 N -7.69 4.76 0.35 0.00 2.96 0.14 -4.84 118.68 114.35 1gwi s LEU 111 Ca -0.28 -2.63 0.07 0.00 -0.22 0.00 0.00 54.13 51.07 1gwi s LEU 111 Cb 0.06 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 1gwi s LEU 111 CO 0.40 -0.92 0.39 0.42 -1.32 0.00 0.00 176.35 175.31 1gwi s THR 112 N 2.43 3.65 0.19 3.68 -4.23 -1.26 -4.63 115.64 115.46 1gwi s THR 112 Ca 0.43 -1.20 -0.10 0.00 -1.18 0.00 0.00 61.69 59.64 1gwi s THR 112 Cb -0.02 -3.25 0.12 0.00 1.34 0.00 0.00 72.50 70.69 1gwi s THR 112 CO -0.01 -0.14 1.77 0.58 -0.54 0.00 0.00 174.62 176.28 1gwi h VAL 113 N 1.05 1.23 -0.38 2.29 2.07 -1.93 -2.41 116.25 118.17 1gwi h VAL 113 Ca -0.45 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1gwi h VAL 113 Cb 1.26 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1gwi h VAL 113 CO 0.55 0.27 0.25 -0.09 0.02 0.00 0.00 177.57 178.58 1gwi h ARG 114 N 0.96 0.50 -0.64 1.57 2.43 -1.97 -0.62 114.38 116.60 1gwi h ARG 114 Ca 0.23 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1gwi h ARG 114 Cb 0.14 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1gwi h ARG 114 CO -0.03 0.33 0.40 -0.09 -1.51 0.00 0.00 179.97 179.08 1gwi h ARG 115 N 0.52 0.77 -0.48 0.20 2.43 -1.82 -1.03 114.38 114.96 1gwi h ARG 115 Ca 0.14 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1gwi h ARG 115 Cb -0.06 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1gwi h ARG 115 CO -0.03 0.51 0.20 0.28 -1.51 0.00 0.00 179.97 179.42 1gwi h VAL 116 N 0.80 1.21 -0.96 0.20 2.07 -1.08 -2.41 116.25 116.08 1gwi h VAL 116 Ca 0.26 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1gwi h VAL 116 Cb 0.00 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1gwi h VAL 116 CO -0.10 0.24 0.62 -0.33 0.02 0.00 0.00 177.57 178.03 1gwi h GLU 117 N 0.64 1.16 0.00 1.57 4.39 -0.67 -0.47 114.58 121.21 1gwi h GLU 117 Ca 0.16 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1gwi h GLU 117 Cb 0.19 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1gwi h GLU 117 CO -0.01 0.77 0.00 0.72 -1.16 0.00 0.00 179.01 179.33 1gwi n HIS 118 N -4.48 0.00 0.98 4.33 8.25 -0.43 -2.38 115.22 121.48 1gwi n HIS 118 Ca 0.13 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.70 1gwi n HIS 118 Cb 0.10 -0.04 0.04 0.00 1.12 0.00 0.00 29.99 31.20 1gwi n HIS 118 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1gwi n MET 119 N -1.04 0.01 -0.18 -0.41 2.81 -0.19 -4.46 117.12 113.66 1gwi n MET 119 Ca 0.15 -0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.02 1gwi n MET 119 Cb 0.09 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.15 1gwi n MET 119 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1gwi h ARG 120 N 0.00 0.02 -0.37 0.03 2.43 -1.49 0.87 114.38 115.86 1gwi h ARG 120 Ca 0.00 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1gwi h ARG 120 Cb 0.51 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1gwi h ARG 120 CO 0.00 0.02 0.17 0.78 -1.51 0.00 0.00 179.97 179.43 1gwi h GLY 121 N 0.02 0.50 1.12 2.80 0.00 -1.83 0.22 103.07 105.90 1gwi h GLY 121 Ca 0.27 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 1gwi h GLY 121 CO -0.55 0.08 -0.04 -0.09 0.00 0.00 0.00 176.54 175.94 1gwi h ARG 122 N 0.35 1.05 -0.59 4.80 9.65 -1.67 -1.57 114.38 126.40 1gwi h ARG 122 Ca 0.16 -0.35 -0.06 0.00 -1.10 0.00 0.00 59.98 58.63 1gwi h ARG 122 Cb 0.09 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 1gwi h ARG 122 CO -0.13 1.05 0.11 0.82 2.80 0.00 0.00 179.97 184.62 1gwi h ILE 123 N 0.95 1.25 -0.63 1.20 2.04 -0.50 -1.06 117.51 120.75 1gwi h ILE 123 Ca 0.16 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 1gwi h ILE 123 Cb 0.60 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1gwi h ILE 123 CO 0.04 0.35 0.10 0.74 0.00 0.00 0.00 178.15 179.37 1gwi h THR 124 N 0.89 1.26 -0.23 -0.27 2.02 -0.68 -0.76 112.91 115.14 1gwi h THR 124 Ca 0.19 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 1gwi h THR 124 Cb 0.37 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1gwi h THR 124 CO 0.01 0.38 -0.02 -0.33 0.37 0.00 0.00 175.52 175.92 1gwi h GLU 125 N 0.95 0.43 -0.69 6.66 5.08 -0.93 -1.95 114.58 124.13 1gwi h GLU 125 Ca 0.19 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1gwi h GLU 125 Cb 0.44 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1gwi h GLU 125 CO 0.01 0.63 0.27 -0.07 -1.00 0.00 0.00 179.01 178.85 1gwi h LEU 126 N 0.18 0.96 -0.10 1.33 3.38 -1.10 -1.15 115.31 118.82 1gwi h LEU 126 Ca 0.06 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1gwi h LEU 126 Cb 0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1gwi h LEU 126 CO 0.02 0.88 0.01 0.74 0.09 0.00 0.00 178.44 180.17 1gwi h THR 127 N 0.99 0.95 -0.80 0.22 2.02 -1.04 -0.51 112.91 114.73 1gwi h THR 127 Ca 0.23 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.37 1gwi h THR 127 Cb 0.22 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1gwi h THR 127 CO -0.02 0.01 0.40 0.44 0.37 0.00 0.00 175.52 176.72 1gwi h ASP 128 N 0.04 1.03 -0.60 4.18 3.32 -1.16 -0.54 116.42 122.69 1gwi h ASP 128 Ca 0.04 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1gwi h ASP 128 Cb 0.04 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1gwi h ASP 128 CO -0.07 0.86 0.30 -0.09 -1.72 0.00 0.00 179.24 178.52 1gwi h ARG 129 N 1.14 0.86 -0.30 3.56 2.43 -0.80 -0.33 114.38 120.94 1gwi h ARG 129 Ca 0.28 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 1gwi h ARG 129 Cb 0.09 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1gwi h ARG 129 CO -0.04 0.69 -0.33 -0.07 -1.51 0.00 0.00 179.97 178.71 1gwi h LEU 130 N 0.82 0.69 -1.01 3.80 3.38 -0.68 -2.73 115.31 119.59 1gwi h LEU 130 Ca 0.21 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1gwi h LEU 130 Cb 0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1gwi h LEU 130 CO -0.03 0.97 -0.21 -0.07 0.09 0.00 0.00 178.44 179.19 1gwi h LEU 131 N 0.56 0.46 -1.54 1.67 3.38 -0.75 -2.28 115.31 116.82 1gwi h LEU 131 Ca 0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1gwi h LEU 131 Cb 0.84 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1gwi h LEU 131 CO 0.07 0.68 -0.08 0.44 0.09 0.00 0.00 178.44 179.64 1gwi h ASP 132 N 0.42 0.18 1.10 -0.43 3.32 -0.76 -2.40 116.42 117.85 1gwi h ASP 132 Ca 0.07 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1gwi h ASP 132 Cb 0.61 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1gwi h ASP 132 CO 0.04 0.29 0.00 -0.62 -1.72 0.00 0.00 179.24 177.24 1gwi n GLU 133 N -4.34 0.11 -2.12 3.56 -0.58 -0.87 -4.86 120.64 111.55 1gwi n GLU 133 Ca -0.01 0.14 -0.41 0.00 -0.42 0.00 0.00 57.16 56.46 1gwi n GLU 133 Cb 0.22 -1.64 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 1gwi n GLU 133 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1gwi s LEU 134 N -3.69 4.42 0.73 -4.62 1.43 -0.90 -4.97 118.68 111.07 1gwi s LEU 134 Ca 0.11 2.64 -0.15 0.00 -1.03 0.00 0.00 54.13 55.70 1gwi s LEU 134 Cb 0.15 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.77 1gwi s LEU 134 CO 0.52 -0.56 1.24 -2.84 0.23 0.00 0.00 176.35 174.94 1gwi s PRO 135 N -1.32 2.09 -0.00 1.29 0.02 -1.26 -4.96 135.00 130.86 1gwi s PRO 135 Ca 0.52 1.87 0.08 0.00 0.02 0.00 0.00 61.00 63.48 1gwi s PRO 135 Cb -0.40 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 1gwi s PRO 135 CO 0.49 -1.90 0.29 0.00 -0.33 0.00 0.00 177.00 175.55 1gwi n ALA 136 N -2.65 2.84 -0.12 -1.55 0.00 -1.26 -4.64 120.51 113.12 1gwi n ALA 136 Ca 0.14 -0.21 0.27 0.00 0.00 0.00 0.00 53.44 53.64 1gwi n ALA 136 Cb 0.50 -0.28 0.58 0.00 0.00 0.00 0.00 19.45 20.25 1gwi n ALA 136 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1gwi h ASP 137 N 0.00 0.00 0.00 0.00 2.03 -2.03 -3.44 116.42 112.98 1gwi h ASP 137 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1gwi h ASP 137 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1gwi h ASP 137 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1gwi n GLY 138 N -1.64 0.75 1.75 7.15 0.00 -1.26 -4.93 105.19 107.00 1gwi n GLY 138 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1gwi n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwi n GLY 139 N -2.00 -2.24 3.73 -0.02 0.00 -1.26 -4.60 105.19 98.79 1gwi n GLY 139 Ca 0.00 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1gwi n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gwi s VAL 140 N -2.09 4.34 0.00 1.61 1.01 -1.26 -4.58 120.40 119.43 1gwi s VAL 140 Ca 0.35 1.92 0.04 0.00 0.00 0.00 0.00 61.98 64.29 1gwi s VAL 140 Cb -0.03 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1gwi s VAL 140 CO 0.26 0.28 -0.13 0.54 0.00 0.00 0.00 175.10 176.06 1gwi s VAL 141 N 0.08 1.02 -0.75 2.92 0.11 -0.28 -4.94 120.40 118.55 1gwi s VAL 141 Ca 0.49 -0.64 -0.22 0.00 -2.93 0.00 0.00 61.98 58.68 1gwi s VAL 141 Cb -0.25 -0.87 0.08 0.00 -1.53 0.00 0.00 36.38 33.81 1gwi s VAL 141 CO 0.31 0.22 1.06 -0.62 -3.33 0.00 0.00 175.10 172.74 1gwi s ASP 142 N -0.48 6.29 0.61 3.54 2.15 -1.26 -1.23 116.67 126.29 1gwi s ASP 142 Ca 0.04 -1.19 0.34 0.00 0.43 0.00 0.00 52.55 52.16 1gwi s ASP 142 Cb -0.05 -2.44 1.96 0.00 -0.30 0.00 0.00 42.92 42.09 1gwi s ASP 142 CO -0.00 -1.40 2.26 0.25 -0.17 0.00 0.00 175.17 176.10 1gwi h LEU 143 N 11.40 0.00 0.40 -1.34 5.85 -1.47 -1.21 115.31 128.94 1gwi h LEU 143 Ca -0.16 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1gwi h LEU 143 Cb 1.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1gwi h LEU 143 CO 1.19 0.00 -0.19 0.50 -0.34 0.00 0.00 178.44 179.60 1gwi h LYS 144 N 0.00 -0.52 -0.89 1.25 3.64 -1.90 -0.65 116.57 117.51 1gwi h LYS 144 Ca 0.01 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1gwi h LYS 144 Cb 0.10 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1gwi h LYS 144 CO -0.00 -0.28 0.56 0.00 -2.27 0.00 0.00 179.45 177.46 1gwi h ALA 145 N -0.99 1.14 0.00 5.00 0.00 -1.89 0.24 119.26 122.76 1gwi h ALA 145 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1gwi h ALA 145 Cb 0.47 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gwi h ALA 145 CO 0.09 0.58 -0.38 0.00 0.00 0.00 0.00 179.25 179.54 1gwi h ALA 146 N 1.31 0.77 0.00 0.00 0.00 -1.32 -3.40 119.26 116.61 1gwi h ALA 146 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1gwi h ALA 146 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1gwi h ALA 146 CO -0.06 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.53 1gwi n PHE 147 N -2.40 -1.43 -0.35 0.00 7.35 -0.34 -4.86 117.46 115.43 1gwi n PHE 147 Ca 0.04 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 1gwi n PHE 147 Cb 0.47 0.45 0.14 0.00 0.35 0.00 0.00 39.48 40.89 1gwi n PHE 147 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1gwi h ALA 148 N 0.00 1.28 0.20 3.13 0.00 -1.15 -2.87 119.26 119.84 1gwi h ALA 148 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1gwi h ALA 148 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1gwi h ALA 148 CO 0.00 0.46 -0.10 -0.92 0.00 0.00 0.00 179.25 178.70 1gwi h TYR 149 N 1.17 -0.25 -0.18 0.00 3.20 -0.76 -3.33 116.97 116.83 1gwi h TYR 149 Ca 0.39 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.17 1gwi h TYR 149 Cb 0.05 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1gwi h TYR 149 CO -0.01 0.09 -0.25 -1.00 -1.64 0.00 0.00 178.16 175.35 1gwi h PRO 150 N -0.62 0.33 -0.05 1.82 0.13 -1.77 -3.34 132.00 128.50 1gwi h PRO 150 Ca -0.03 -0.12 0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1gwi h PRO 150 Cb 0.45 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.49 1gwi h PRO 150 CO 0.04 0.57 -0.46 1.25 -0.23 0.00 0.00 178.00 179.17 1gwi h LEU 151 N 0.30 -1.42 -2.30 1.56 5.85 -1.61 -1.99 115.31 115.70 1gwi h LEU 151 Ca 0.05 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1gwi h LEU 151 Cb 0.61 0.56 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1gwi h LEU 151 CO 0.04 -0.47 -0.01 -0.65 -0.34 0.00 0.00 178.44 177.02 1gwi h PRO 152 N -0.58 0.00 0.14 5.25 0.11 -1.73 -0.70 132.00 134.50 1gwi h PRO 152 Ca 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1gwi h PRO 152 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1gwi h PRO 152 CO -0.36 0.01 -0.07 1.98 -0.21 0.00 0.00 178.00 179.34 1gwi h MET 153 N 0.00 -0.18 -0.53 1.05 1.85 -1.52 -1.50 114.93 114.10 1gwi h MET 153 Ca -0.00 0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.02 1gwi h MET 153 Cb 0.01 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 1gwi h MET 153 CO 0.00 0.22 0.01 1.88 -0.40 0.00 0.00 176.91 178.62 1gwi h TYR 154 N -0.65 0.95 0.04 1.39 -1.99 -1.08 -1.94 116.97 113.70 1gwi h TYR 154 Ca -0.02 -0.14 -0.00 0.00 2.00 0.00 0.00 58.73 60.57 1gwi h TYR 154 Cb 0.49 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1gwi h TYR 154 CO 0.06 0.86 -0.02 0.28 -0.00 0.00 0.00 178.16 179.34 1gwi h VAL 155 N 0.83 1.08 -0.45 -2.88 2.07 -1.16 -1.64 116.25 114.10 1gwi h VAL 155 Ca 0.16 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1gwi h VAL 155 Cb 0.48 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1gwi h VAL 155 CO 0.02 0.10 0.07 1.62 0.02 0.00 0.00 177.57 179.40 1gwi h VAL 156 N -0.22 1.21 -0.50 2.57 3.04 -1.22 0.24 116.25 121.38 1gwi h VAL 156 Ca -0.01 -0.79 -0.03 0.00 -1.01 0.00 0.00 66.70 64.86 1gwi h VAL 156 Cb 0.20 0.79 -0.02 0.00 -2.01 0.00 0.00 31.29 30.25 1gwi h VAL 156 CO 0.01 0.29 0.18 0.00 -1.01 0.00 0.00 177.57 177.04 1gwi h ALA 157 N 1.42 0.65 -0.37 3.17 0.00 -1.22 0.83 119.26 123.73 1gwi h ALA 157 Ca 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1gwi h ALA 157 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1gwi h ALA 157 CO 0.00 0.28 0.01 0.22 0.00 0.00 0.00 179.25 179.76 1gwi h ASP 158 N 0.67 0.64 -0.57 0.00 1.82 -0.89 -0.81 116.42 117.28 1gwi h ASP 158 Ca 0.16 -0.30 0.03 0.00 -0.39 0.00 0.00 57.03 56.53 1gwi h ASP 158 Cb 0.22 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.02 1gwi h ASP 158 CO -0.01 0.79 0.34 0.25 -1.61 0.00 0.00 179.24 179.00 1gwi h LEU 159 N 0.48 0.56 -0.01 2.28 5.85 -0.66 -2.19 115.31 121.61 1gwi h LEU 159 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1gwi h LEU 159 Cb 0.46 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1gwi h LEU 159 CO 0.02 0.39 0.00 0.23 -0.34 0.00 0.00 178.44 178.74 1gwi n MET 160 N -4.76 0.01 -1.18 1.25 2.81 0.26 -0.55 117.12 114.96 1gwi n MET 160 Ca 0.05 0.15 -0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1gwi n MET 160 Cb 0.08 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1gwi n MET 160 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1gwi n GLY 161 N 0.64 0.40 3.71 3.03 0.00 -0.80 -3.66 105.19 108.51 1gwi n GLY 161 Ca 0.05 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1gwi n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gwi s ILE 162 N -2.02 3.16 -0.05 -0.61 1.01 -0.38 -4.90 121.20 117.42 1gwi s ILE 162 Ca 0.00 0.81 -0.37 0.00 0.00 0.00 0.00 60.65 61.09 1gwi s ILE 162 Cb 0.00 -3.52 -0.16 0.00 0.01 0.00 0.00 42.46 38.80 1gwi s ILE 162 CO 0.00 0.05 1.56 1.21 0.00 0.00 0.00 174.94 177.76 1gwi n GLU 163 N 4.15 1.35 0.13 2.79 2.13 -1.26 -4.76 120.64 125.18 1gwi n GLU 163 Ca 0.12 0.49 0.17 0.00 0.66 0.00 0.00 57.16 58.60 1gwi n GLU 163 Cb 0.41 -2.18 0.74 0.00 0.27 0.00 0.00 31.44 30.68 1gwi n GLU 163 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1gwi h GLU 164 N 6.08 0.00 0.00 5.31 5.08 -1.96 -0.34 114.58 128.75 1gwi h GLU 164 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1gwi h GLU 164 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1gwi h GLU 164 CO 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.88 1gwi h ALA 165 N 1.78 1.00 -0.00 3.43 0.00 -2.03 -2.37 119.26 121.07 1gwi h ALA 165 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1gwi h ALA 165 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1gwi h ALA 165 CO -0.00 0.00 -0.40 0.54 0.00 0.00 0.00 179.25 179.39 1gwi n ARG 166 N -2.79 0.17 -0.16 0.00 5.12 -0.14 -4.38 116.66 114.48 1gwi n ARG 166 Ca 0.00 -0.09 -0.03 0.00 -1.93 0.00 0.00 57.85 55.80 1gwi n ARG 166 Cb 0.23 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.10 1gwi n ARG 166 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1gwi h LEU 167 N 0.23 0.09 -0.69 0.55 3.38 -1.51 0.14 115.31 117.50 1gwi h LEU 167 Ca 0.00 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1gwi h LEU 167 Cb 0.49 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1gwi h LEU 167 CO 0.00 0.08 0.31 -0.65 0.09 0.00 0.00 178.44 178.27 1gwi h PRO 168 N 0.29 0.50 -0.39 1.13 0.11 -1.80 0.94 132.00 132.78 1gwi h PRO 168 Ca 0.25 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.18 1gwi h PRO 168 Cb 0.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1gwi h PRO 168 CO -0.29 0.33 -0.33 -0.09 -0.21 0.00 0.00 178.00 177.41 1gwi h ARG 169 N 0.52 0.92 -0.93 1.05 9.65 -1.75 -2.72 114.38 121.12 1gwi h ARG 169 Ca 0.35 -0.46 0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1gwi h ARG 169 Cb 0.41 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.94 1gwi h ARG 169 CO -0.30 1.12 0.61 1.25 2.80 0.00 0.00 179.97 185.45 1gwi h LEU 170 N 0.73 0.96 -0.30 3.80 5.85 0.05 0.42 115.31 126.82 1gwi h LEU 170 Ca 0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1gwi h LEU 170 Cb 0.92 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1gwi h LEU 170 CO 0.09 0.62 0.15 0.50 -0.34 0.00 0.00 178.44 179.46 1gwi h LYS 171 N 1.09 0.43 -0.80 1.25 3.64 -0.65 0.10 116.57 121.64 1gwi h LYS 171 Ca 0.40 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1gwi h LYS 171 Cb 0.16 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1gwi h LYS 171 CO -0.15 0.40 0.31 0.28 -2.27 0.00 0.00 179.45 178.03 1gwi h VAL 172 N 0.36 1.26 -0.34 2.00 2.07 -1.01 -1.27 116.25 119.32 1gwi h VAL 172 Ca 0.10 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1gwi h VAL 172 Cb 0.11 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1gwi h VAL 172 CO -0.01 0.34 0.06 -0.07 0.02 0.00 0.00 177.57 177.91 1gwi h LEU 173 N 1.16 0.54 -0.36 2.57 3.38 -0.56 -2.27 115.31 119.77 1gwi h LEU 173 Ca 0.26 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1gwi h LEU 173 Cb 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1gwi h LEU 173 CO -0.02 0.65 0.23 -0.26 0.09 0.00 0.00 178.44 179.13 1gwi h PHE 174 N 0.40 0.46 -0.26 1.13 -1.00 -0.57 0.16 116.94 117.25 1gwi h PHE 174 Ca 0.10 0.01 0.06 0.00 2.81 0.00 0.00 57.97 60.95 1gwi h PHE 174 Cb 0.34 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 39.68 1gwi h PHE 174 CO 0.02 0.30 -0.15 0.93 -1.61 0.00 0.00 178.31 177.81 1gwi h GLU 175 N 0.48 -0.11 -0.34 1.51 3.07 -1.09 -0.56 114.58 117.54 1gwi h GLU 175 Ca 0.13 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.93 1gwi h GLU 175 Cb -0.04 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1gwi h GLU 175 CO -0.03 -0.08 -0.04 0.87 -1.40 0.00 0.00 179.01 178.33 1gwi h LYS 176 N -0.12 0.62 -0.89 2.33 1.57 -1.13 -1.60 116.57 117.35 1gwi h LYS 176 Ca 0.14 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1gwi h LYS 176 Cb 0.33 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1gwi h LYS 176 CO -0.34 0.78 0.50 0.35 -0.57 0.00 0.00 179.45 180.17 1gwi h PHE 177 N 0.42 1.20 -0.02 -1.35 3.57 -0.34 -3.09 116.94 117.33 1gwi h PHE 177 Ca 0.09 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1gwi h PHE 177 Cb 0.52 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1gwi h PHE 177 CO 0.04 0.82 -0.28 1.19 -2.23 0.00 0.00 178.31 177.85 1gwi n PHE 178 N -4.34 0.00 -2.55 0.41 3.01 -0.25 -4.95 117.46 108.79 1gwi n PHE 178 Ca 0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 1gwi n PHE 178 Cb 0.09 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1gwi n PHE 178 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1gwi s SER 179 N -2.31 7.25 0.00 4.37 0.15 -0.60 -4.92 113.70 117.63 1gwi s SER 179 Ca 0.23 1.92 0.18 0.00 0.70 0.00 0.00 55.95 58.99 1gwi s SER 179 Cb 0.19 -2.58 0.84 0.00 -1.71 0.00 0.00 66.02 62.76 1gwi s SER 179 CO 0.47 -0.31 1.58 0.35 1.20 0.00 0.00 173.24 176.54 1gwi n THR 180 N 3.37 0.63 0.98 6.45 -2.24 -1.26 -2.67 114.28 119.53 1gwi n THR 180 Ca 0.06 0.16 0.11 0.00 -2.27 0.00 0.00 64.05 62.10 1gwi n THR 180 Cb 0.48 -0.84 0.01 0.00 -2.10 0.00 0.00 70.33 67.88 1gwi n THR 180 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gwi n GLN 181 N -1.42 1.44 -2.39 -0.78 6.02 -1.26 -4.94 117.38 114.04 1gwi n GLN 181 Ca 0.06 -1.16 -0.42 0.00 -0.01 0.00 0.00 57.00 55.47 1gwi n GLN 181 Cb 0.19 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 1gwi n GLN 181 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1gwi s THR 182 N -2.34 3.94 0.26 5.09 2.01 -1.09 -4.96 115.64 118.54 1gwi s THR 182 Ca 0.20 1.40 -0.31 0.00 0.31 0.00 0.00 61.69 63.29 1gwi s THR 182 Cb 0.18 -3.90 -0.13 0.00 0.01 0.00 0.00 72.50 68.67 1gwi s THR 182 CO 0.51 0.11 1.49 -2.65 -0.69 0.00 0.00 174.62 173.39 1gwi n PRO 183 N 3.87 2.32 -0.31 4.92 -0.02 -1.26 -4.75 135.00 139.77 1gwi n PRO 183 Ca 0.09 0.82 0.14 0.00 -2.02 0.00 0.00 63.50 62.54 1gwi n PRO 183 Cb 0.46 -2.54 0.30 0.00 -0.02 0.00 0.00 33.50 31.70 1gwi n PRO 183 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1gwi h PRO 184 N 4.47 0.09 -0.48 0.52 0.11 -1.98 0.39 132.00 135.12 1gwi h PRO 184 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1gwi h PRO 184 Cb 1.25 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1gwi h PRO 184 CO 0.77 0.06 0.04 0.93 -0.21 0.00 0.00 178.00 179.59 1gwi h GLU 185 N 0.09 0.77 0.00 1.05 3.07 -2.00 -2.28 114.58 115.29 1gwi h GLU 185 Ca 0.58 -0.19 -0.09 0.00 -0.50 0.00 0.00 59.36 59.16 1gwi h GLU 185 Cb 1.22 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 1gwi h GLU 185 CO -0.78 0.76 -0.43 1.49 -1.40 0.00 0.00 179.01 178.65 1gwi h GLU 186 N 0.73 0.00 -0.37 2.33 4.81 -0.62 -1.86 114.58 119.60 1gwi h GLU 186 Ca 0.15 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 1gwi h GLU 186 Cb 0.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1gwi h GLU 186 CO 0.01 0.43 -0.33 0.28 -0.73 0.00 0.00 179.01 178.68 1gwi h VAL 187 N 0.00 1.28 -0.46 0.32 2.07 -0.69 -0.88 116.25 117.89 1gwi h VAL 187 Ca -0.00 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 1gwi h VAL 187 Cb 0.88 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1gwi h VAL 187 CO 0.06 0.50 0.10 0.58 0.02 0.00 0.00 177.57 178.82 1gwi h VAL 188 N 0.67 1.24 -0.66 2.57 2.07 -1.20 -1.25 116.25 119.68 1gwi h VAL 188 Ca 0.06 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1gwi h VAL 188 Cb 0.91 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1gwi h VAL 188 CO 0.08 0.30 0.24 0.00 0.02 0.00 0.00 177.57 178.22 1gwi h ALA 189 N 0.97 0.87 -0.76 1.67 0.00 -1.24 -2.86 119.26 117.91 1gwi h ALA 189 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1gwi h ALA 189 Cb 0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1gwi h ALA 189 CO 0.00 0.51 0.28 1.15 0.00 0.00 0.00 179.25 181.19 1gwi h THR 190 N 0.95 1.26 -0.70 0.00 2.02 -0.91 -2.45 112.91 113.08 1gwi h THR 190 Ca 0.22 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.57 1gwi h THR 190 Cb 0.24 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1gwi h THR 190 CO -0.01 0.34 0.47 0.25 0.37 0.00 0.00 175.52 176.93 1gwi h LEU 191 N 1.11 0.79 -0.51 2.58 6.46 -1.01 -1.23 115.31 123.50 1gwi h LEU 191 Ca 0.25 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.86 1gwi h LEU 191 Cb 0.25 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 1gwi h LEU 191 CO -0.02 0.57 -0.21 0.74 -0.62 0.00 0.00 178.44 178.90 1gwi h THR 192 N 0.93 1.27 -0.07 1.05 2.02 -1.27 -0.55 112.91 116.29 1gwi h THR 192 Ca 0.26 -1.37 -0.08 0.00 0.77 0.00 0.00 66.41 65.99 1gwi h THR 192 Cb -0.08 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1gwi h THR 192 CO -0.06 0.47 -0.33 -0.08 0.37 0.00 0.00 175.52 175.90 1gwi h GLU 193 N 0.85 0.13 -0.39 6.66 4.81 -1.06 0.15 114.58 125.73 1gwi h GLU 193 Ca 0.11 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 1gwi h GLU 193 Cb 0.78 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1gwi h GLU 193 CO 0.07 0.45 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.50 1gwi h LEU 194 N 0.11 0.86 -1.40 1.64 3.38 -0.87 -1.73 115.31 117.31 1gwi h LEU 194 Ca 0.01 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1gwi h LEU 194 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1gwi h LEU 194 CO 0.05 1.09 0.27 0.00 0.09 0.00 0.00 178.44 179.94 1gwi h ALA 195 N 0.80 1.54 -0.41 1.53 0.00 -0.28 -1.11 119.26 121.34 1gwi h ALA 195 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gwi h ALA 195 Cb 0.78 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1gwi h ALA 195 CO 0.06 0.38 0.22 1.03 0.00 0.00 0.00 179.25 180.94 1gwi h SER 196 N 0.69 0.51 -0.65 0.00 0.87 -0.12 0.12 113.55 114.97 1gwi h SER 196 Ca 0.18 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1gwi h SER 196 Cb 0.02 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1gwi h SER 196 CO -0.03 0.46 0.15 0.40 -0.53 0.00 0.00 176.83 177.28 1gwi h ILE 197 N 0.52 1.26 -0.41 2.23 2.04 -0.45 -0.89 117.51 121.81 1gwi h ILE 197 Ca 0.14 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1gwi h ILE 197 Cb 0.07 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1gwi h ILE 197 CO -0.02 0.36 0.13 0.24 0.00 0.00 0.00 178.15 178.86 1gwi h MET 198 N 0.97 0.63 -0.70 2.37 2.86 -0.91 -1.37 114.93 118.78 1gwi h MET 198 Ca 0.20 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1gwi h MET 198 Cb 0.38 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1gwi h MET 198 CO 0.00 0.62 0.20 1.15 1.06 0.00 0.00 176.91 179.94 1gwi h THR 199 N 0.51 1.26 -0.81 2.22 2.02 -0.57 -1.34 112.91 116.19 1gwi h THR 199 Ca 0.13 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 1gwi h THR 199 Cb 0.25 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1gwi h THR 199 CO -0.00 0.36 0.39 0.44 0.37 0.00 0.00 175.52 177.07 1gwi h ASP 200 N 1.05 1.06 -0.48 4.18 3.32 -0.94 -0.68 116.42 123.92 1gwi h ASP 200 Ca 0.23 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1gwi h ASP 200 Cb 0.32 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1gwi h ASP 200 CO -0.00 0.90 0.21 0.74 -1.72 0.00 0.00 179.24 179.36 1gwi h THR 201 N 1.15 1.20 -0.47 0.35 2.02 -0.70 0.14 112.91 116.59 1gwi h THR 201 Ca 0.28 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1gwi h THR 201 Cb 0.12 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1gwi h THR 201 CO -0.04 0.23 0.20 0.58 0.37 0.00 0.00 175.52 176.87 1gwi h VAL 202 N 0.64 1.20 -0.72 3.16 2.07 -0.86 0.00 116.25 121.74 1gwi h VAL 202 Ca 0.16 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1gwi h VAL 202 Cb 0.16 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1gwi h VAL 202 CO -0.02 0.23 0.33 0.00 0.02 0.00 0.00 177.57 178.13 1gwi h ALA 203 N 1.05 0.93 -0.57 1.67 0.00 -0.86 -1.10 119.26 120.39 1gwi h ALA 203 Ca 0.16 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1gwi h ALA 203 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1gwi h ALA 203 CO -0.02 0.51 0.13 0.00 0.00 0.00 0.00 179.25 179.88 1gwi h ALA 204 N 1.16 0.75 0.00 0.00 0.00 -0.33 -2.06 119.26 118.79 1gwi h ALA 204 Ca 0.25 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1gwi h ALA 204 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1gwi h ALA 204 CO -0.03 0.46 -0.37 0.87 0.00 0.00 0.00 179.25 180.18 1gwi h LYS 205 N 0.82 0.00 -0.17 0.00 1.79 -0.76 0.11 116.57 118.37 1gwi h LYS 205 Ca 0.18 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.45 1gwi h LYS 205 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1gwi h LYS 205 CO 0.00 0.37 -0.69 0.00 -1.08 0.00 0.00 179.45 178.06 1gwi h ARG 206 N 0.00 0.69 -0.29 3.15 3.08 -1.03 -1.77 114.38 118.21 1gwi h ARG 206 Ca -0.00 -0.51 -0.15 0.00 0.07 0.00 0.00 59.98 59.39 1gwi h ARG 206 Cb 1.01 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1gwi h ARG 206 CO 0.05 1.13 -0.42 0.00 -1.07 0.00 0.00 179.97 179.66 1gwi h ALA 207 N 0.74 0.72 -2.07 0.04 0.00 -1.13 -3.40 119.26 114.16 1gwi h ALA 207 Ca -0.02 -0.46 -0.41 0.00 0.00 0.00 0.00 54.91 54.02 1gwi h ALA 207 Cb 1.29 -0.11 -0.32 0.00 0.00 0.00 0.00 17.79 18.64 1gwi h ALA 207 CO 0.14 0.66 -0.72 0.00 0.00 0.00 0.00 179.25 179.33 1gwi s ALA 208 N -4.26 -0.17 0.53 0.00 0.00 0.01 -5.10 121.76 112.77 1gwi s ALA 208 Ca -0.09 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.50 1gwi s ALA 208 Cb 0.12 -1.97 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 1gwi s ALA 208 CO 0.85 -2.14 1.05 -2.30 0.00 0.00 0.00 175.76 173.22 1gwi n PRO 209 N 4.19 1.21 -1.03 0.00 -0.02 -0.67 -4.44 135.00 134.24 1gwi n PRO 209 Ca 0.11 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1gwi n PRO 209 Cb 0.44 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1gwi n PRO 209 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gwi n GLY 210 N 1.15 4.00 2.99 -1.23 0.00 -1.26 -5.07 105.19 105.77 1gwi n GLY 210 Ca 0.11 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1gwi n GLY 210 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gwi n ASP 211 N -1.47 5.88 -3.96 1.61 -0.08 -1.26 -4.72 116.55 112.55 1gwi n ASP 211 Ca 0.00 -3.35 -0.13 0.00 -1.51 0.00 0.00 54.79 49.80 1gwi n ASP 211 Cb 0.00 -1.21 -0.09 0.00 2.34 0.00 0.00 41.12 42.16 1gwi n ASP 211 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1gwi s ASP 212 N -1.32 0.49 0.29 1.67 -4.77 -1.26 -5.01 116.67 106.75 1gwi s ASP 212 Ca 0.32 -1.44 0.02 0.00 -3.30 0.00 0.00 52.55 48.15 1gwi s ASP 212 Cb 0.03 0.45 0.43 0.00 -1.09 0.00 0.00 42.92 42.74 1gwi s ASP 212 CO 0.05 -0.93 1.75 0.25 0.70 0.00 0.00 175.17 176.99 1gwi h LEU 213 N 2.47 0.52 -0.25 2.11 5.85 -1.05 -2.49 115.31 122.47 1gwi h LEU 213 Ca -0.33 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.17 1gwi h LEU 213 Cb 1.25 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1gwi h LEU 213 CO 0.47 0.72 -0.09 0.74 -0.34 0.00 0.00 178.44 179.94 1gwi h THR 214 N 0.48 1.29 -0.92 1.05 2.02 -1.77 -0.50 112.91 114.57 1gwi h THR 214 Ca 0.08 -1.14 0.03 0.00 0.77 0.00 0.00 66.41 66.15 1gwi h THR 214 Cb 0.59 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 1gwi h THR 214 CO 0.04 0.36 0.60 0.28 0.37 0.00 0.00 175.52 177.16 1gwi h SER 215 N 0.23 1.00 -0.26 4.18 0.02 -1.84 -1.18 113.55 115.71 1gwi h SER 215 Ca 0.06 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 1gwi h SER 215 Cb 0.58 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1gwi h SER 215 CO 0.03 0.70 -0.14 0.00 -1.14 0.00 0.00 176.83 176.28 1gwi h ALA 216 N 1.37 1.04 -0.21 3.77 0.00 -1.24 -1.48 119.26 122.51 1gwi h ALA 216 Ca 0.36 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1gwi h ALA 216 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1gwi h ALA 216 CO -0.11 0.58 -0.40 -0.07 0.00 0.00 0.00 179.25 179.25 1gwi h LEU 217 N 0.62 0.51 -0.25 0.00 3.38 -0.44 -1.22 115.31 117.91 1gwi h LEU 217 Ca 0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1gwi h LEU 217 Cb 0.60 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1gwi h LEU 217 CO 0.04 0.86 0.00 0.40 0.09 0.00 0.00 178.44 179.83 1gwi h ILE 218 N 0.40 1.25 0.00 1.22 2.04 -0.94 -3.14 117.51 118.34 1gwi h ILE 218 Ca 0.04 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1gwi h ILE 218 Cb 0.88 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1gwi h ILE 218 CO 0.07 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.51 1gwi n GLN 219 N -4.63 0.14 -1.72 2.37 6.02 -0.58 -4.80 117.38 114.18 1gwi n GLN 219 Ca -0.03 0.21 -0.40 0.00 -0.01 0.00 0.00 57.00 56.77 1gwi n GLN 219 Cb 0.24 -1.70 0.03 0.00 1.02 0.00 0.00 30.24 29.83 1gwi n GLN 219 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gwi n ALA 220 N -1.67 1.45 -3.51 -1.58 0.00 -0.48 -5.00 120.51 109.72 1gwi n ALA 220 Ca 0.05 0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.52 1gwi n ALA 220 Cb 0.33 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.42 1gwi n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1gwi s SER 221 N -0.69 -0.63 -0.36 0.00 1.04 -1.26 -4.38 113.70 107.42 1gwi s SER 221 Ca 0.65 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1gwi s SER 221 Cb -0.46 0.54 0.12 0.00 0.10 0.00 0.00 66.02 66.32 1gwi s SER 221 CO 0.54 -0.65 0.17 -1.61 0.98 0.00 0.00 173.24 172.67 1gwi s GLU 222 N -1.59 0.89 -1.31 4.02 0.41 0.13 -4.88 118.70 116.37 1gwi s GLU 222 Ca -0.09 -1.44 -0.13 0.00 -0.41 0.00 0.00 54.97 52.90 1gwi s GLU 222 Cb -0.00 -1.99 0.01 0.00 -1.78 0.00 0.00 34.13 30.36 1gwi s GLU 222 CO 0.06 -1.09 0.53 0.09 -0.49 0.00 0.00 175.26 174.36 1gwi n ASN 223 N 4.26 -2.35 0.00 -0.19 3.02 -1.26 -0.60 115.26 118.14 1gwi n ASN 223 Ca 0.04 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1gwi n ASN 223 Cb 0.38 -2.72 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 1gwi n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gwi n GLY 224 N -1.99 2.91 3.81 7.41 0.00 -1.26 -5.03 105.19 111.03 1gwi n GLY 224 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1gwi n GLY 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gwi s ASP 225 N 0.53 6.46 0.30 1.61 2.15 0.24 -5.05 116.67 122.90 1gwi s ASP 225 Ca 0.00 1.84 -0.20 0.00 0.43 0.00 0.00 52.55 54.63 1gwi s ASP 225 Cb 0.00 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 1gwi s ASP 225 CO 0.00 -0.70 0.72 -1.38 -0.17 0.00 0.00 175.17 173.64 1gwi s HIS 226 N -2.10 -0.10 0.34 -5.34 -3.43 -1.26 0.21 115.29 103.61 1gwi s HIS 226 Ca 0.65 -0.39 -0.27 0.00 -0.80 0.00 0.00 55.06 54.25 1gwi s HIS 226 Cb -0.14 0.70 -0.09 0.00 -1.43 0.00 0.00 32.58 31.62 1gwi s HIS 226 CO 0.20 -1.29 1.04 -0.51 -2.00 0.00 0.00 174.74 172.19 1gwi s LEU 227 N -2.95 4.34 0.61 5.38 1.43 -1.26 -5.05 118.68 121.17 1gwi s LEU 227 Ca 0.12 2.08 -0.03 0.00 -1.03 0.00 0.00 54.13 55.27 1gwi s LEU 227 Cb -0.06 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.26 1gwi s LEU 227 CO 0.08 -0.27 0.88 0.42 0.23 0.00 0.00 176.35 177.69 1gwi s THR 228 N -1.45 2.92 0.24 5.49 -4.23 -1.26 -4.88 115.64 112.47 1gwi s THR 228 Ca 0.51 -0.34 -0.06 0.00 -1.18 0.00 0.00 61.69 60.62 1gwi s THR 228 Cb -0.25 -3.17 0.21 0.00 1.34 0.00 0.00 72.50 70.64 1gwi s THR 228 CO 0.32 -0.15 1.87 0.44 -0.54 0.00 0.00 174.62 176.56 1gwi h ASP 229 N -0.20 0.91 -0.76 3.99 3.32 -1.99 -0.49 116.42 121.20 1gwi h ASP 229 Ca -0.44 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.57 1gwi h ASP 229 Cb 1.29 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1gwi h ASP 229 CO 0.58 0.62 0.31 0.00 -1.72 0.00 0.00 179.24 179.03 1gwi h ALA 230 N 1.37 0.99 -0.22 3.45 0.00 -1.99 -0.51 119.26 122.36 1gwi h ALA 230 Ca 0.36 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1gwi h ALA 230 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1gwi h ALA 230 CO -0.13 0.60 -0.32 0.93 0.00 0.00 0.00 179.25 180.32 1gwi h GLU 231 N 1.09 0.45 -0.13 0.00 5.08 -1.75 -0.25 114.58 119.07 1gwi h GLU 231 Ca 0.25 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1gwi h GLU 231 Cb 0.20 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1gwi h GLU 231 CO -0.02 0.72 -0.12 0.82 -1.00 0.00 0.00 179.01 179.40 1gwi h ILE 232 N 0.39 1.35 -0.63 3.13 2.04 -0.72 -1.76 117.51 121.31 1gwi h ILE 232 Ca 0.05 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1gwi h ILE 232 Cb 0.76 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1gwi h ILE 232 CO 0.06 0.37 0.25 0.58 0.00 0.00 0.00 178.15 179.41 1gwi h VAL 233 N -0.06 1.23 -0.05 1.67 2.07 -0.98 -0.75 116.25 119.39 1gwi h VAL 233 Ca 0.02 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1gwi h VAL 233 Cb 0.65 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1gwi h VAL 233 CO 0.03 0.29 -0.26 0.77 0.02 0.00 0.00 177.57 178.42 1gwi h SER 234 N 0.88 0.07 -0.18 0.57 4.64 -1.03 -0.47 113.55 118.03 1gwi h SER 234 Ca 0.21 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1gwi h SER 234 Cb 0.20 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1gwi h SER 234 CO -0.02 0.34 -0.27 0.74 -0.87 0.00 0.00 176.83 176.75 1gwi h THR 235 N 0.07 1.34 -0.49 2.95 2.02 -0.68 -0.80 112.91 117.32 1gwi h THR 235 Ca 0.01 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 1gwi h THR 235 Cb 0.50 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1gwi h THR 235 CO 0.04 0.45 0.23 -0.07 0.37 0.00 0.00 175.52 176.54 1gwi h LEU 236 N 0.16 0.65 -0.83 2.58 3.38 -0.83 -1.22 115.31 119.20 1gwi h LEU 236 Ca 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1gwi h LEU 236 Cb 0.85 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1gwi h LEU 236 CO 0.06 0.60 0.44 1.56 0.09 0.00 0.00 178.44 181.19 1gwi h GLN 237 N 0.65 1.16 -0.51 1.13 4.20 -1.04 -2.50 115.11 118.19 1gwi h GLN 237 Ca 0.17 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1gwi h GLN 237 Cb 0.12 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1gwi h GLN 237 CO -0.02 0.86 0.06 1.25 -0.67 0.00 0.00 178.83 180.31 1gwi h LEU 238 N 1.15 0.78 -1.34 1.46 5.85 -0.74 -1.29 115.31 121.18 1gwi h LEU 238 Ca 0.29 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1gwi h LEU 238 Cb 0.05 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1gwi h LEU 238 CO -0.04 0.81 -0.02 0.24 -0.34 0.00 0.00 178.44 179.08 1gwi h MET 239 N 0.78 0.41 -0.03 1.25 2.86 -0.80 0.37 114.93 119.77 1gwi h MET 239 Ca 0.16 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1gwi h MET 239 Cb 0.39 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1gwi h MET 239 CO 0.01 0.46 -0.25 0.28 1.06 0.00 0.00 176.91 178.47 1gwi h VAL 240 N 0.40 1.48 -0.36 -2.22 2.07 -1.15 0.16 116.25 116.63 1gwi h VAL 240 Ca 0.09 -1.77 -0.05 0.00 0.82 0.00 0.00 66.70 65.79 1gwi h VAL 240 Cb 0.30 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1gwi h VAL 240 CO 0.01 0.49 0.02 0.00 0.02 0.00 0.00 177.57 178.12 1gwi h ALA 241 N 0.36 1.37 0.00 1.67 0.00 -0.88 -2.72 119.26 119.05 1gwi h ALA 241 Ca -0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1gwi h ALA 241 Cb 0.94 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1gwi h ALA 241 CO 0.05 0.44 -1.84 0.00 0.00 0.00 0.00 179.25 177.90 1gwi n ALA 242 N -2.48 2.44 0.48 0.00 0.00 0.13 -4.63 120.51 116.45 1gwi n ALA 242 Ca 0.02 -0.62 0.05 0.00 0.00 0.00 0.00 53.44 52.89 1gwi n ALA 242 Cb 0.23 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 18.96 1gwi n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwi n GLY 243 N 1.35 -0.17 0.02 0.00 0.00 0.04 -4.48 105.19 101.95 1gwi n GLY 243 Ca -0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.61 1gwi n GLY 243 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1gwi h HIS 244 N 1.41 -0.01 0.00 1.61 6.17 -1.62 -3.13 115.15 119.58 1gwi h HIS 244 Ca 0.00 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 1gwi h HIS 244 Cb 0.39 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.32 1gwi h HIS 244 CO 0.00 -0.00 -0.10 0.93 0.71 0.00 0.00 177.93 179.46 1gwi h GLU 245 N -0.26 0.00 -0.04 5.26 5.08 -1.87 -1.92 114.58 120.82 1gwi h GLU 245 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1gwi h GLU 245 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1gwi h GLU 245 CO 0.00 0.10 -0.00 1.79 -1.00 0.00 0.00 179.01 179.90 1gwi h THR 246 N 0.00 1.27 -0.77 1.13 1.35 -1.79 -1.15 112.91 112.95 1gwi h THR 246 Ca -0.00 -0.83 -0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1gwi h THR 246 Cb 0.19 1.74 -0.04 0.00 -1.73 0.00 0.00 68.15 68.32 1gwi h THR 246 CO 0.01 0.22 0.47 0.74 -0.25 0.00 0.00 175.52 176.72 1gwi h THR 247 N -0.24 1.22 -0.07 6.82 2.02 -1.43 -0.44 112.91 120.78 1gwi h THR 247 Ca 0.01 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.74 1gwi h THR 247 Cb 0.36 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1gwi h THR 247 CO 0.00 0.22 -0.03 0.40 0.37 0.00 0.00 175.52 176.49 1gwi h ILE 248 N 1.06 0.90 -0.03 3.11 2.04 -1.26 -2.18 117.51 121.15 1gwi h ILE 248 Ca 0.28 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.10 1gwi h ILE 248 Cb -0.05 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1gwi h ILE 248 CO -0.05 0.00 -0.15 0.28 0.00 0.00 0.00 178.15 178.23 1gwi h SER 249 N -0.02 0.04 -0.27 1.72 0.02 -0.79 -0.14 113.55 114.11 1gwi h SER 249 Ca 0.04 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1gwi h SER 249 Cb 0.08 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1gwi h SER 249 CO -0.08 0.19 0.08 0.25 -1.14 0.00 0.00 176.83 176.13 1gwi h LEU 250 N 0.04 0.39 -0.10 5.07 5.85 -0.48 0.16 115.31 126.25 1gwi h LEU 250 Ca 0.01 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1gwi h LEU 250 Cb 0.29 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1gwi h LEU 250 CO 0.02 0.50 0.02 0.40 -0.34 0.00 0.00 178.44 179.04 1gwi h ILE 251 N 0.27 1.21 0.19 4.05 2.04 -0.92 -1.84 117.51 122.51 1gwi h ILE 251 Ca 0.09 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1gwi h ILE 251 Cb 0.25 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1gwi h ILE 251 CO -0.00 0.18 -0.16 0.58 0.00 0.00 0.00 178.15 178.75 1gwi h VAL 252 N -0.06 0.64 -0.18 1.67 2.07 -0.93 -2.09 116.25 117.37 1gwi h VAL 252 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1gwi h VAL 252 Cb 0.27 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1gwi h VAL 252 CO 0.00 0.00 0.02 0.78 0.02 0.00 0.00 177.57 178.39 1gwi h ASN 253 N -0.37 0.23 -0.41 0.57 2.35 -0.69 -1.05 115.58 116.21 1gwi h ASN 253 Ca -0.00 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 1gwi h ASN 253 Cb 0.34 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1gwi h ASN 253 CO -0.02 0.27 0.07 0.00 -1.65 0.00 0.00 177.43 176.10 1gwi h ALA 254 N 1.77 0.54 -0.69 -0.83 0.00 -0.97 0.35 119.26 119.42 1gwi h ALA 254 Ca 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1gwi h ALA 254 Cb 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1gwi h ALA 254 CO 0.00 0.25 0.19 0.28 0.00 0.00 0.00 179.25 179.97 1gwi h VAL 255 N 0.52 1.26 -0.35 0.00 2.07 -0.75 -1.19 116.25 117.81 1gwi h VAL 255 Ca 0.12 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1gwi h VAL 255 Cb 0.36 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1gwi h VAL 255 CO 0.01 0.36 0.08 0.58 0.02 0.00 0.00 177.57 178.62 1gwi h VAL 256 N 1.04 1.22 -0.65 2.57 2.07 -0.90 -1.24 116.25 120.36 1gwi h VAL 256 Ca 0.22 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1gwi h VAL 256 Cb 0.34 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1gwi h VAL 256 CO -0.00 0.26 0.36 0.78 0.02 0.00 0.00 177.57 178.99 1gwi h ASN 257 N 0.41 0.81 -0.39 0.57 2.35 -0.66 -1.16 115.58 117.51 1gwi h ASN 257 Ca 0.11 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 1gwi h ASN 257 Cb 0.30 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1gwi h ASN 257 CO 0.00 0.67 -0.22 -0.07 -1.65 0.00 0.00 177.43 176.16 1gwi h LEU 258 N 0.89 0.91 -1.33 1.61 3.38 -1.14 -1.96 115.31 117.67 1gwi h LEU 258 Ca 0.23 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1gwi h LEU 258 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1gwi h LEU 258 CO -0.04 1.10 0.03 0.28 0.09 0.00 0.00 178.44 179.90 1gwi h SER 259 N 0.77 0.44 0.06 -0.43 0.02 -0.87 -2.59 113.55 110.96 1gwi h SER 259 Ca 0.10 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1gwi h SER 259 Cb 0.77 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1gwi h SER 259 CO 0.06 0.49 -0.11 0.35 -1.14 0.00 0.00 176.83 176.48 1gwi n THR 260 N -4.32 0.00 -3.30 -2.27 -2.24 -0.47 -4.44 114.28 97.25 1gwi n THR 260 Ca 0.01 -0.24 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 1gwi n THR 260 Cb 0.21 0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 68.99 1gwi n THR 260 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gwi n HIS 261 N 0.04 0.64 -0.28 4.78 8.25 -0.76 -5.00 115.22 122.90 1gwi n HIS 261 Ca 0.16 -3.70 0.04 0.00 -0.26 0.00 0.00 57.72 53.96 1gwi n HIS 261 Cb 0.39 -0.34 0.12 0.00 1.12 0.00 0.00 29.99 31.28 1gwi n HIS 261 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1gwi h PRO 262 N 4.29 0.02 -0.48 -0.41 0.11 -1.78 -1.10 132.00 132.65 1gwi h PRO 262 Ca 0.13 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1gwi h PRO 262 Cb 0.83 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1gwi h PRO 262 CO 0.55 0.01 0.25 0.93 -0.21 0.00 0.00 178.00 179.53 1gwi h GLU 263 N 0.02 0.66 0.04 1.05 5.08 -1.94 -0.49 114.58 119.00 1gwi h GLU 263 Ca 0.40 -0.07 -0.25 0.00 -1.00 0.00 0.00 59.36 58.44 1gwi h GLU 263 Cb 0.66 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1gwi h GLU 263 CO -0.79 0.50 -1.05 1.96 -1.00 0.00 0.00 179.01 178.63 1gwi h GLN 264 N 0.67 0.48 -0.45 2.33 4.20 -1.60 -2.45 115.11 118.29 1gwi h GLN 264 Ca 0.17 -0.57 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 1gwi h GLN 264 Cb 0.04 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1gwi h GLN 264 CO -0.03 1.21 0.21 -0.09 -0.67 0.00 0.00 178.83 179.46 1gwi h ARG 265 N 0.25 0.65 -0.64 1.46 2.43 -0.95 -2.43 114.38 115.15 1gwi h ARG 265 Ca -0.11 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1gwi h ARG 265 Cb 1.71 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 31.09 1gwi h ARG 265 CO 0.19 0.55 0.36 0.00 -1.51 0.00 0.00 179.97 179.56 1gwi h ALA 266 N 1.06 0.84 -0.82 2.80 0.00 -1.07 -0.41 119.26 121.66 1gwi h ALA 266 Ca 0.15 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1gwi h ALA 266 Cb 0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1gwi h ALA 266 CO -0.02 0.04 0.50 -0.07 0.00 0.00 0.00 179.25 179.71 1gwi h LEU 267 N 0.67 0.79 -0.21 0.00 3.38 -0.99 -0.89 115.31 118.07 1gwi h LEU 267 Ca 0.28 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 1gwi h LEU 267 Cb 0.15 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gwi h LEU 267 CO -0.17 0.51 -0.34 0.58 0.09 0.00 0.00 178.44 179.11 1gwi h VAL 268 N 0.92 1.33 0.00 1.22 2.07 -0.93 -0.27 116.25 120.59 1gwi h VAL 268 Ca 0.36 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 1gwi h VAL 268 Cb 0.17 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1gwi h VAL 268 CO -0.17 0.48 -0.16 -0.07 0.02 0.00 0.00 177.57 177.67 1gwi h LEU 269 N 0.28 0.00 0.00 2.57 3.38 -0.72 -1.62 115.31 119.21 1gwi h LEU 269 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1gwi h LEU 269 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1gwi h LEU 269 CO 0.08 0.16 -0.26 -1.54 0.09 0.00 0.00 178.44 176.96 1gwi n SER 270 N -4.14 0.31 0.00 -0.43 3.41 -0.37 -4.93 113.62 107.47 1gwi n SER 270 Ca -0.02 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1gwi n SER 270 Cb 0.24 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1gwi n SER 270 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gwi n GLY 271 N 1.48 0.75 0.24 5.00 0.00 -0.61 -4.92 105.19 107.12 1gwi n GLY 271 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1gwi n GLY 271 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gwi h GLU 272 N 3.82 0.00 -5.47 1.61 4.81 -1.29 -3.44 114.58 114.62 1gwi h GLU 272 Ca 0.00 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.77 1gwi h GLU 272 Cb 0.00 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 29.14 1gwi h GLU 272 CO 0.00 0.09 -0.80 0.00 -0.73 0.00 0.00 179.01 177.57 1gwi s ALA 273 N -3.46 1.28 0.44 2.92 0.00 -0.85 -4.96 121.76 117.14 1gwi s ALA 273 Ca 0.03 -0.90 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 1gwi s ALA 273 Cb 0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 1gwi s ALA 273 CO 0.62 0.25 0.89 -1.21 0.00 0.00 0.00 175.76 176.31 1gwi s GLU 274 N -1.25 3.98 0.40 0.00 0.41 -1.26 -4.34 118.70 116.64 1gwi s GLU 274 Ca 0.02 0.85 0.19 0.00 -0.41 0.00 0.00 54.97 55.61 1gwi s GLU 274 Cb -0.08 -2.24 0.83 0.00 -1.78 0.00 0.00 34.13 30.85 1gwi s GLU 274 CO 0.02 -0.10 1.82 -1.49 -0.49 0.00 0.00 175.26 175.01 1gwi h TRP 275 N 1.42 0.00 -0.05 1.61 4.06 -1.97 -2.20 115.95 118.82 1gwi h TRP 275 Ca -0.48 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.43 1gwi h TRP 275 Cb 1.18 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 1gwi h TRP 275 CO 0.62 0.33 -0.18 0.66 -3.56 0.00 0.00 178.44 176.31 1gwi h SER 276 N 0.00 0.07 0.04 -3.49 4.64 -1.95 -1.03 113.55 111.84 1gwi h SER 276 Ca -0.00 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1gwi h SER 276 Cb 0.73 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1gwi h SER 276 CO 0.04 0.26 -0.34 0.00 -0.87 0.00 0.00 176.83 175.93 1gwi h ALA 277 N 1.75 1.05 -0.20 5.18 0.00 -1.74 -0.38 119.26 124.91 1gwi h ALA 277 Ca 0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1gwi h ALA 277 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1gwi h ALA 277 CO 0.03 0.59 0.06 0.28 0.00 0.00 0.00 179.25 180.21 1gwi h VAL 278 N 0.36 1.19 0.02 0.00 2.07 -1.20 -1.64 116.25 117.04 1gwi h VAL 278 Ca 0.04 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1gwi h VAL 278 Cb 0.77 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1gwi h VAL 278 CO 0.06 0.18 -0.01 0.58 0.02 0.00 0.00 177.57 178.41 1gwi h VAL 279 N 0.15 1.03 -0.66 2.57 2.07 -1.04 -1.26 116.25 119.12 1gwi h VAL 279 Ca 0.07 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 1gwi h VAL 279 Cb 0.23 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1gwi h VAL 279 CO -0.00 0.04 0.09 -0.33 0.02 0.00 0.00 177.57 177.39 1gwi h GLU 280 N -0.09 1.09 -0.08 1.57 4.39 -1.06 -1.04 114.58 119.36 1gwi h GLU 280 Ca -0.00 -0.30 -0.12 0.00 0.34 0.00 0.00 59.36 59.28 1gwi h GLU 280 Cb 0.08 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1gwi h GLU 280 CO 0.00 1.01 -0.51 1.49 -1.16 0.00 0.00 179.01 179.84 1gwi h GLU 281 N 1.02 0.21 -0.44 2.33 4.57 -1.29 -1.82 114.58 119.16 1gwi h GLU 281 Ca 0.20 -0.12 -0.12 0.00 -1.18 0.00 0.00 59.36 58.13 1gwi h GLU 281 Cb 0.45 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1gwi h GLU 281 CO 0.02 0.67 -0.21 1.15 -1.18 0.00 0.00 179.01 179.46 1gwi h THR 282 N 0.17 1.27 -0.56 0.32 2.02 -0.90 0.80 112.91 116.03 1gwi h THR 282 Ca 0.01 -1.35 -0.09 0.00 0.77 0.00 0.00 66.41 65.75 1gwi h THR 282 Cb 0.96 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1gwi h THR 282 CO 0.08 0.46 0.01 -0.07 0.37 0.00 0.00 175.52 176.36 1gwi h LEU 283 N 0.77 0.92 0.13 2.58 3.38 -0.91 0.72 115.31 122.90 1gwi h LEU 283 Ca 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1gwi h LEU 283 Cb 0.76 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1gwi h LEU 283 CO 0.06 0.97 -0.06 -0.09 0.09 0.00 0.00 178.44 179.41 1gwi h ARG 284 N 0.88 -0.17 -0.25 1.13 2.43 -1.05 -2.97 114.38 114.37 1gwi h ARG 284 Ca 0.16 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 1gwi h ARG 284 Cb 0.50 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1gwi h ARG 284 CO 0.02 0.28 -0.41 0.35 -1.51 0.00 0.00 179.97 178.71 1gwi h PHE 285 N -0.86 0.73 -1.66 2.20 3.57 -0.89 -3.40 116.94 116.62 1gwi h PHE 285 Ca -0.02 -0.21 -0.45 0.00 3.53 0.00 0.00 57.97 60.82 1gwi h PHE 285 Cb 0.54 -0.15 -0.36 0.00 2.79 0.00 0.00 35.95 38.77 1gwi h PHE 285 CO 0.10 0.92 -1.06 -1.13 -2.23 0.00 0.00 178.31 174.90 1gwi n SER 286 N -4.03 0.21 -4.73 0.41 3.41 0.24 -4.92 113.62 104.22 1gwi n SER 286 Ca -0.02 -3.09 -0.40 0.00 -0.26 0.00 0.00 58.87 55.11 1gwi n SER 286 Cb 0.53 -0.19 0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1gwi n SER 286 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1gwi n THR 287 N 0.43 3.07 0.30 6.66 5.66 -1.12 -4.68 114.28 124.60 1gwi n THR 287 Ca 0.21 -0.50 0.17 0.00 -3.05 0.00 0.00 64.05 60.88 1gwi n THR 287 Cb 0.65 -1.67 0.67 0.00 -1.55 0.00 0.00 70.33 68.44 1gwi n THR 287 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1gwi h PRO 288 N 1.88 0.00 -3.92 1.09 0.11 -1.87 -3.38 132.00 125.91 1gwi h PRO 288 Ca -0.50 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 64.91 1gwi h PRO 288 Cb 1.29 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.06 1gwi h PRO 288 CO 0.59 0.00 -0.39 0.99 -0.21 0.00 0.00 178.00 178.98 1gwi s THR 289 N -3.63 3.76 0.10 -1.15 2.01 -1.26 -0.62 115.64 114.85 1gwi s THR 289 Ca 0.01 -2.57 -0.16 0.00 0.31 0.00 0.00 61.69 59.29 1gwi s THR 289 Cb 0.09 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1gwi s THR 289 CO 0.52 -0.83 1.51 0.28 -0.69 0.00 0.00 174.62 175.41 1gwi h SER 290 N 7.50 0.63 -5.01 3.53 0.02 -1.41 -3.33 113.55 115.48 1gwi h SER 290 Ca -0.06 -0.36 -0.16 0.00 -0.84 0.00 0.00 61.79 60.37 1gwi h SER 290 Cb 1.00 -0.17 -0.20 0.00 0.14 0.00 0.00 62.40 63.16 1gwi h SER 290 CO 0.73 0.84 -0.70 -1.00 -1.14 0.00 0.00 176.83 175.57 1gwi s HIS 291 N -4.80 0.29 -0.11 3.45 3.76 -0.92 -1.24 115.29 115.73 1gwi s HIS 291 Ca -0.13 -0.60 -0.00 0.00 -0.15 0.00 0.00 55.06 54.18 1gwi s HIS 291 Cb 0.09 -0.22 0.02 0.00 1.11 0.00 0.00 32.58 33.59 1gwi s HIS 291 CO 0.79 -0.21 -0.08 0.08 -0.85 0.00 0.00 174.74 174.47 1gwi s VAL 292 N -1.76 1.02 -0.08 -0.90 1.01 -0.55 -4.72 120.40 114.42 1gwi s VAL 292 Ca -0.13 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 1gwi s VAL 292 Cb -0.08 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1gwi s VAL 292 CO -0.02 0.37 0.23 -0.76 0.00 0.00 0.00 175.10 174.92 1gwi s LEU 293 N 1.68 4.42 -0.03 3.92 1.02 -1.26 -2.27 118.68 126.15 1gwi s LEU 293 Ca 0.04 0.64 -0.29 0.00 0.02 0.00 0.00 54.13 54.54 1gwi s LEU 293 Cb -0.13 -2.25 0.09 0.00 0.02 0.00 0.00 46.19 43.93 1gwi s LEU 293 CO -0.08 0.38 0.77 -0.51 0.02 0.00 0.00 176.35 176.93 1gwi s ILE 294 N -1.02 0.00 0.15 -0.59 2.07 -1.26 -4.87 121.20 115.67 1gwi s ILE 294 Ca 0.18 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.48 1gwi s ILE 294 Cb -0.14 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.41 1gwi s ILE 294 CO 0.07 0.00 -0.14 -0.13 -1.91 0.00 0.00 174.94 172.84 1gwi s ARG 295 N -2.00 1.10 0.02 3.50 0.52 0.43 -4.63 118.95 117.90 1gwi s ARG 295 Ca -0.04 -1.36 0.04 0.00 -0.52 0.00 0.00 55.73 53.85 1gwi s ARG 295 Cb -0.00 -0.91 -0.02 0.00 0.52 0.00 0.00 34.95 34.54 1gwi s ARG 295 CO 0.00 0.16 -0.11 -0.06 0.02 0.00 0.00 175.30 175.31 1gwi s PHE 296 N -2.54 0.99 -0.39 -0.53 0.40 0.48 0.67 117.98 117.06 1gwi s PHE 296 Ca 0.13 -0.30 -0.26 0.00 -0.60 0.00 0.00 56.93 55.91 1gwi s PHE 296 Cb -0.03 -0.60 0.02 0.00 0.51 0.00 0.00 43.02 42.92 1gwi s PHE 296 CO 0.03 -0.00 0.92 0.00 0.70 0.00 0.00 175.22 176.87 1gwi s ALA 297 N -0.69 3.37 0.31 5.36 0.00 -0.90 -1.26 121.76 127.96 1gwi s ALA 297 Ca 0.01 -0.53 0.15 0.00 0.00 0.00 0.00 51.96 51.59 1gwi s ALA 297 Cb -0.07 -3.55 0.73 0.00 0.00 0.00 0.00 23.12 20.24 1gwi s ALA 297 CO 0.01 -1.69 1.80 0.00 0.00 0.00 0.00 175.76 175.87 1gwi h ALA 298 N 8.60 1.22 -2.33 0.00 0.00 -1.30 0.23 119.26 125.68 1gwi h ALA 298 Ca -0.23 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 1gwi h ALA 298 Cb 1.08 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 1gwi h ALA 298 CO 0.99 0.48 -0.59 -1.21 0.00 0.00 0.00 179.25 178.91 1gwi s GLU 299 N -3.96 0.70 0.29 0.00 2.02 -1.26 -4.71 118.70 111.78 1gwi s GLU 299 Ca -0.02 -1.17 -0.30 0.00 0.02 0.00 0.00 54.97 53.50 1gwi s GLU 299 Cb 0.13 0.25 -0.12 0.00 0.10 0.00 0.00 34.13 34.49 1gwi s GLU 299 CO 0.71 -0.17 1.48 -0.25 0.02 0.00 0.00 175.26 177.05 1gwi n ASP 300 N 0.05 3.36 -3.98 -0.19 9.92 -1.26 -4.31 116.55 120.14 1gwi n ASP 300 Ca -0.13 1.16 -0.26 0.00 -0.53 0.00 0.00 54.79 55.03 1gwi n ASP 300 Cb 0.62 -1.53 -0.17 0.00 -0.64 0.00 0.00 41.12 39.40 1gwi n ASP 300 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1gwi s VAL 301 N -0.30 1.16 0.18 2.53 1.01 -0.04 -4.92 120.40 120.03 1gwi s VAL 301 Ca 0.63 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1gwi s VAL 301 Cb -0.55 -1.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.64 1gwi s VAL 301 CO 0.52 0.38 1.14 -2.84 0.00 0.00 0.00 175.10 174.30 1gwi s PRO 302 N 1.21 4.55 -0.31 2.72 0.02 -1.26 -0.17 135.00 141.76 1gwi s PRO 302 Ca -0.04 1.79 -0.02 0.00 0.02 0.00 0.00 61.00 62.74 1gwi s PRO 302 Cb -0.14 -3.26 0.11 0.00 0.02 0.00 0.00 34.50 31.23 1gwi s PRO 302 CO -0.03 0.01 0.16 0.08 -0.33 0.00 0.00 177.00 176.88 1gwi s VAL 303 N -0.18 0.08 0.00 3.83 1.01 -0.19 -4.93 120.40 120.02 1gwi s VAL 303 Ca 0.51 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1gwi s VAL 303 Cb -0.31 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1gwi s VAL 303 CO 0.36 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 175.25 1gwi n GLY 304 N 4.79 2.52 0.17 4.51 0.00 -1.26 -1.62 105.19 114.29 1gwi n GLY 304 Ca 0.01 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.86 1gwi n GLY 304 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gwi n ASP 305 N 5.64 0.74 -4.64 1.61 3.85 -1.26 -4.90 116.55 117.59 1gwi n ASP 305 Ca 0.00 -0.66 -0.22 0.00 -0.71 0.00 0.00 54.79 53.20 1gwi n ASP 305 Cb 0.00 0.06 0.02 0.00 -1.35 0.00 0.00 41.12 39.84 1gwi n ASP 305 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 1gwi n ARG 306 N -0.88 0.71 -3.73 0.11 1.85 -0.64 -5.15 116.66 108.93 1gwi n ARG 306 Ca 0.12 -3.09 -0.12 0.00 -1.00 0.00 0.00 57.85 53.76 1gwi n ARG 306 Cb 0.32 0.19 -0.11 0.00 -1.05 0.00 0.00 32.46 31.81 1gwi n ARG 306 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1gwi s VAL 307 N -2.46 -0.01 -0.46 8.89 1.01 -1.26 -1.03 120.40 125.07 1gwi s VAL 307 Ca 0.36 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 62.16 1gwi s VAL 307 Cb -0.03 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.87 1gwi s VAL 307 CO 0.23 0.02 0.73 -0.63 0.00 0.00 0.00 175.10 175.44 1gwi s ILE 308 N 0.65 4.72 0.66 2.22 1.01 0.76 -4.90 121.20 126.31 1gwi s ILE 308 Ca -0.04 0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.62 1gwi s ILE 308 Cb -0.05 -4.30 -0.00 0.00 0.01 0.00 0.00 42.46 38.12 1gwi s ILE 308 CO -0.04 -0.72 1.28 -2.84 0.00 0.00 0.00 174.94 172.61 1gwi s PRO 309 N 3.10 2.49 0.34 2.79 0.02 -1.26 -0.86 135.00 141.63 1gwi s PRO 309 Ca 0.25 2.01 -0.29 0.00 0.02 0.00 0.00 61.00 62.99 1gwi s PRO 309 Cb -0.14 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 1gwi s PRO 309 CO 0.20 -1.63 1.46 0.00 -0.33 0.00 0.00 177.00 176.70 1gwi s ALA 310 N -1.50 3.59 0.00 -1.55 0.00 -1.26 -1.91 121.76 119.13 1gwi s ALA 310 Ca 0.81 1.49 0.00 0.00 0.00 0.00 0.00 51.96 54.26 1gwi s ALA 310 Cb -0.36 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1gwi s ALA 310 CO 0.40 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1gwi n GLY 311 N 0.91 1.06 3.93 0.00 0.00 0.80 -4.92 105.19 106.97 1gwi n GLY 311 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1gwi n GLY 311 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gwi s ASP 312 N -2.84 5.82 0.14 1.61 1.11 -0.80 -0.37 116.67 121.33 1gwi s ASP 312 Ca 0.00 0.62 0.03 0.00 0.18 0.00 0.00 52.55 53.38 1gwi s ASP 312 Cb 0.00 -1.77 -0.04 0.00 1.07 0.00 0.00 42.92 42.18 1gwi s ASP 312 CO 0.00 -0.84 0.19 0.00 1.18 0.00 0.00 175.17 175.71 1gwi s ALA 313 N -2.79 3.76 -0.02 5.23 0.00 -1.26 -2.12 121.76 124.56 1gwi s ALA 313 Ca 0.50 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1gwi s ALA 313 Cb -0.10 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.47 1gwi s ALA 313 CO 0.43 0.57 0.03 -1.17 0.00 0.00 0.00 175.76 175.61 1gwi s LEU 314 N -3.04 1.16 0.12 0.00 2.96 0.21 -1.05 118.68 119.05 1gwi s LEU 314 Ca 0.32 0.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.36 1gwi s LEU 314 Cb -0.11 -0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.47 1gwi s LEU 314 CO 0.26 -0.12 -0.16 0.27 -1.32 0.00 0.00 176.35 175.27 1gwi s ILE 315 N 0.98 2.93 -0.30 6.68 -4.36 -0.01 -0.43 121.20 126.69 1gwi s ILE 315 Ca -0.08 -1.51 -0.10 0.00 -0.26 0.00 0.00 60.65 58.70 1gwi s ILE 315 Cb -0.12 -2.36 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 1gwi s ILE 315 CO -0.03 0.07 0.17 -0.69 0.24 0.00 0.00 174.94 174.71 1gwi s VAL 316 N -1.22 4.84 -1.27 8.37 1.01 -0.96 -2.20 120.40 128.98 1gwi s VAL 316 Ca 0.19 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1gwi s VAL 316 Cb -0.10 -3.42 0.16 0.00 0.00 0.00 0.00 36.38 33.02 1gwi s VAL 316 CO 0.11 0.11 1.75 -1.20 0.00 0.00 0.00 175.10 175.87 1gwi n SER 317 N 5.02 5.08 -0.25 3.32 7.64 -0.99 -1.48 113.62 131.95 1gwi n SER 317 Ca -0.14 -3.05 0.06 0.00 1.01 0.00 0.00 58.87 56.74 1gwi n SER 317 Cb 0.50 -1.52 0.30 0.00 -1.01 0.00 0.00 64.21 62.48 1gwi n SER 317 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1gwi h TYR 318 N 6.24 0.91 0.03 1.43 -1.99 -1.50 -1.97 116.97 120.12 1gwi h TYR 318 Ca 0.38 0.02 0.01 0.00 2.00 0.00 0.00 58.73 61.14 1gwi h TYR 318 Cb 0.71 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 1gwi h TYR 318 CO 1.22 0.47 -0.06 0.78 -0.00 0.00 0.00 178.16 180.56 1gwi h GLY 319 N 0.89 -0.09 0.73 3.88 0.00 -1.28 -1.56 103.07 105.64 1gwi h GLY 319 Ca 0.36 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 1gwi h GLY 319 CO -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.34 1gwi h ALA 320 N 0.84 0.00 0.00 3.60 0.00 -1.71 -3.08 119.26 118.92 1gwi h ALA 320 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1gwi h ALA 320 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1gwi h ALA 320 CO -0.05 -0.36 0.00 1.37 0.00 0.00 0.00 179.25 180.21 1gwi h LEU 321 N -0.27 0.00 -1.82 0.00 8.10 -1.36 -2.66 115.31 117.31 1gwi h LEU 321 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1gwi h LEU 321 Cb 0.27 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1gwi h LEU 321 CO 0.00 0.00 -0.11 1.23 -4.11 0.00 0.00 178.44 175.45 1gwi h GLY 322 N 1.37 0.00 -3.22 0.17 0.00 -1.18 -1.99 103.07 98.22 1gwi h GLY 322 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1gwi h GLY 322 CO 0.00 0.00 0.32 0.54 0.00 0.00 0.00 176.54 177.40 1gwi n ARG 323 N -4.29 2.49 -2.12 4.80 1.74 -1.00 -4.66 116.66 113.62 1gwi n ARG 323 Ca -0.03 -3.07 -0.43 0.00 -0.77 0.00 0.00 57.85 53.55 1gwi n ARG 323 Cb 0.19 -2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 29.54 1gwi n ARG 323 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1gwi s ASP 324 N -1.64 6.32 0.32 0.55 -1.08 -0.75 -4.45 116.67 115.94 1gwi s ASP 324 Ca 0.52 1.52 0.25 0.00 -0.52 0.00 0.00 52.55 54.32 1gwi s ASP 324 Cb 0.44 -2.53 1.12 0.00 -1.46 0.00 0.00 42.92 40.49 1gwi s ASP 324 CO 0.08 -1.32 1.75 -0.33 0.52 0.00 0.00 175.17 175.87 1gwi h GLU 325 N 10.95 0.00 0.00 4.34 5.08 -1.91 -1.91 114.58 131.13 1gwi h GLU 325 Ca -0.33 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 1gwi h GLU 325 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1gwi h GLU 325 CO 1.01 0.00 -0.33 0.00 -1.00 0.00 0.00 179.01 178.69 1gwi h ARG 326 N 0.00 0.00 0.00 2.33 3.08 -1.89 -0.30 114.38 117.60 1gwi h ARG 326 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 1gwi h ARG 326 Cb 0.26 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 1gwi h ARG 326 CO 0.00 0.33 -2.37 0.00 -1.07 0.00 0.00 179.97 176.86 1gwi n ALA 327 N -2.23 1.49 -0.29 0.04 0.00 -0.76 -4.63 120.51 114.13 1gwi n ALA 327 Ca 0.01 -1.31 0.01 0.00 0.00 0.00 0.00 53.44 52.16 1gwi n ALA 327 Cb 0.55 -0.20 0.02 0.00 0.00 0.00 0.00 19.45 19.82 1gwi n ALA 327 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1gwi n HIS 328 N -2.79 0.00 -1.69 0.00 8.25 -0.95 -4.13 115.22 113.91 1gwi n HIS 328 Ca -0.33 -0.52 0.02 0.00 -0.26 0.00 0.00 57.72 56.63 1gwi n HIS 328 Cb 1.15 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 32.19 1gwi n HIS 328 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gwi n GLY 329 N -0.58 -2.11 0.40 -1.41 0.00 -0.12 -4.13 105.19 97.24 1gwi n GLY 329 Ca 0.02 -1.44 0.20 0.00 0.00 0.00 0.00 46.02 44.80 1gwi n GLY 329 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1gwi h PRO 330 N 0.00 0.45 -0.28 1.61 0.11 -1.96 -1.67 132.00 130.26 1gwi h PRO 330 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1gwi h PRO 330 Cb 0.13 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1gwi h PRO 330 CO 0.00 0.29 0.00 0.25 -0.21 0.00 0.00 178.00 178.34 1gwi n THR 331 N -4.60 0.29 0.30 -1.15 -2.24 -1.26 -4.04 114.28 101.58 1gwi n THR 331 Ca 0.23 -0.25 0.17 0.00 -2.27 0.00 0.00 64.05 61.93 1gwi n THR 331 Cb 0.76 0.04 0.92 0.00 -2.10 0.00 0.00 70.33 69.95 1gwi n THR 331 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gwi h ALA 332 N 3.21 1.23 -0.00 6.98 0.00 -1.45 -2.08 119.26 127.14 1gwi h ALA 332 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gwi h ALA 332 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gwi h ALA 332 CO 0.02 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 178.92 1gwi n ASP 333 N -3.46 0.09 -4.21 0.00 5.75 -1.26 -4.53 116.55 108.93 1gwi n ASP 333 Ca -0.02 -1.11 -0.12 0.00 -0.01 0.00 0.00 54.79 53.52 1gwi n ASP 333 Cb 0.16 -0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.14 1gwi n ASP 333 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gwi s ARG 334 N -2.00 0.97 -0.24 0.11 1.70 -0.78 -5.12 118.95 113.59 1gwi s ARG 334 Ca 0.43 -1.42 -0.26 0.00 -0.47 0.00 0.00 55.73 54.01 1gwi s ARG 334 Cb 0.20 -0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.24 1gwi s ARG 334 CO 0.34 -0.02 0.90 0.12 -1.08 0.00 0.00 175.30 175.56 1gwi s PHE 335 N -3.55 3.31 -0.31 5.89 5.36 -1.26 -4.98 117.98 122.45 1gwi s PHE 335 Ca 0.16 1.24 0.03 0.00 -0.96 0.00 0.00 56.93 57.40 1gwi s PHE 335 Cb 0.05 -3.14 0.17 0.00 -0.34 0.00 0.00 43.02 39.76 1gwi s PHE 335 CO -0.01 -0.44 0.44 0.34 -1.46 0.00 0.00 175.22 174.10 1gwi s ASP 336 N 1.30 0.09 0.00 6.13 2.15 -1.26 -5.02 116.67 120.07 1gwi s ASP 336 Ca 0.38 -0.47 0.17 0.00 0.43 0.00 0.00 52.55 53.05 1gwi s ASP 336 Cb -0.15 1.22 1.00 0.00 -0.30 0.00 0.00 42.92 44.68 1gwi s ASP 336 CO 0.07 -0.33 1.42 0.00 -0.17 0.00 0.00 175.17 176.17 1gwi n LEU 337 N 5.18 0.00 -0.79 -1.34 -0.00 -1.26 -2.41 117.00 116.38 1gwi n LEU 337 Ca 0.03 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.14 1gwi n LEU 337 Cb 0.50 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.00 1gwi n LEU 337 CO -0.01 0.00 0.55 0.35 -0.00 0.00 0.00 177.39 178.28 1gwi n THR 338 N -0.92 0.00 -1.47 1.47 -2.24 -1.26 -4.86 114.28 105.00 1gwi n THR 338 Ca 0.13 -0.48 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 1gwi n THR 338 Cb 0.06 1.41 0.09 0.00 -2.10 0.00 0.00 70.33 69.79 1gwi n THR 338 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gwi s ARG 339 N -1.75 2.19 -0.49 -0.78 1.70 -1.01 -5.00 118.95 113.81 1gwi s ARG 339 Ca 0.23 1.78 0.06 0.00 -0.47 0.00 0.00 55.73 57.33 1gwi s ARG 339 Cb 0.17 -1.84 0.21 0.00 -0.57 0.00 0.00 34.95 32.92 1gwi s ARG 339 CO 0.28 -1.80 0.50 0.25 -1.08 0.00 0.00 175.30 173.44 1gwi n THR 340 N -2.63 0.03 -2.06 4.99 -2.24 -1.26 -5.12 114.28 105.99 1gwi n THR 340 Ca 0.14 -4.16 -0.32 0.00 -2.27 0.00 0.00 64.05 57.43 1gwi n THR 340 Cb 0.50 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 1gwi n THR 340 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1gwi s SER 341 N -1.04 6.04 0.00 3.42 0.15 -1.26 -4.95 113.70 116.06 1gwi s SER 341 Ca 0.34 1.66 0.29 0.00 0.70 0.00 0.00 55.95 58.93 1gwi s SER 341 Cb 0.09 -2.51 1.35 0.00 -1.71 0.00 0.00 66.02 63.24 1gwi s SER 341 CO -0.13 -0.99 1.91 0.61 1.20 0.00 0.00 173.24 175.84 1gwi n GLY 342 N -1.56 -0.38 2.90 9.45 0.00 -1.26 -4.73 105.19 109.61 1gwi n GLY 342 Ca 0.07 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1gwi n GLY 342 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gwi s ASN 343 N -1.97 1.84 0.60 1.61 0.01 -1.26 -5.13 114.94 110.64 1gwi s ASN 343 Ca 0.41 -0.24 -0.15 0.00 -0.71 0.00 0.00 52.86 52.17 1gwi s ASN 343 Cb 0.21 -0.72 -0.03 0.00 0.41 0.00 0.00 41.25 41.12 1gwi s ASN 343 CO 0.34 -0.10 1.05 -0.13 -1.51 0.00 0.00 177.10 176.75 1gwi s ARG 344 N 1.47 3.33 0.87 -0.60 0.52 -1.26 -4.91 118.95 118.37 1gwi s ARG 344 Ca -0.01 1.11 -0.11 0.00 -0.52 0.00 0.00 55.73 56.20 1gwi s ARG 344 Cb -0.13 -2.04 0.11 0.00 0.52 0.00 0.00 34.95 33.41 1gwi s ARG 344 CO -0.04 -0.79 1.09 -3.38 0.02 0.00 0.00 175.30 172.20 1gwi s HIS 345 N -2.61 2.41 -0.22 -0.53 -3.43 -1.26 -4.97 115.29 104.69 1gwi s HIS 345 Ca 0.62 1.26 0.13 0.00 -0.80 0.00 0.00 55.06 56.26 1gwi s HIS 345 Cb -0.15 -3.15 0.45 0.00 -1.43 0.00 0.00 32.58 28.30 1gwi s HIS 345 CO 0.40 -2.26 1.19 0.44 -2.00 0.00 0.00 174.74 172.51 1gwi n ILE 346 N -3.79 1.94 0.37 -5.38 -5.35 -1.26 -4.81 119.36 101.07 1gwi n ILE 346 Ca 0.07 -3.29 0.10 0.00 -0.27 0.00 0.00 62.75 59.36 1gwi n ILE 346 Cb 0.55 -0.23 0.43 0.00 -1.74 0.00 0.00 39.64 38.65 1gwi n ILE 346 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1gwi n SER 347 N -0.70 0.44 -1.20 7.28 7.64 -1.26 -0.99 113.62 124.83 1gwi n SER 347 Ca 0.25 0.63 0.11 0.00 1.01 0.00 0.00 58.87 60.87 1gwi n SER 347 Cb 0.87 -0.71 0.28 0.00 -1.01 0.00 0.00 64.21 63.63 1gwi n SER 347 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1gwi n PHE 348 N -2.01 0.81 -0.88 1.43 0.99 -1.26 -4.92 117.46 111.61 1gwi n PHE 348 Ca 0.02 -0.45 0.00 0.00 -0.00 0.00 0.00 57.45 57.02 1gwi n PHE 348 Cb 0.17 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.65 1gwi n PHE 348 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1gwi n GLY 349 N 1.43 -2.54 3.51 1.37 0.00 -0.16 -0.46 105.19 108.34 1gwi n GLY 349 Ca 0.21 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.21 1gwi n GLY 349 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gwi s HIS 350 N -0.39 -0.63 0.00 1.61 2.46 -1.26 -4.78 115.29 112.29 1gwi s HIS 350 Ca 0.00 1.22 0.00 0.00 0.47 0.00 0.00 55.06 56.75 1gwi s HIS 350 Cb 0.00 0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.79 1gwi s HIS 350 CO 0.00 -0.52 0.00 0.41 -2.47 0.00 0.00 174.74 172.16 1gwi n GLY 351 N 1.43 -1.79 0.31 1.59 0.00 -1.26 -4.43 105.19 101.04 1gwi n GLY 351 Ca -0.18 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.19 1gwi n GLY 351 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1gwi h PRO 352 N 0.00 0.60 -0.15 1.61 0.11 -1.98 -2.36 132.00 129.82 1gwi h PRO 352 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1gwi h PRO 352 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1gwi h PRO 352 CO 0.00 0.39 0.00 0.72 -0.21 0.00 0.00 178.00 178.90 1gwi n HIS 353 N -4.88 0.00 -1.64 0.65 8.25 -1.26 -4.93 115.22 111.41 1gwi n HIS 353 Ca 0.17 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.16 1gwi n HIS 353 Cb 0.44 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1gwi n HIS 353 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1gwi n VAL 354 N -0.42 0.63 -1.63 1.59 3.14 -0.89 -4.79 118.33 115.95 1gwi n VAL 354 Ca 0.00 -0.16 -0.60 0.00 -2.96 0.00 0.00 64.34 60.62 1gwi n VAL 354 Cb 0.04 -1.29 -0.09 0.00 -1.06 0.00 0.00 33.84 31.44 1gwi n VAL 354 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1gwi n PRO 356 N 5.64 0.54 -0.56 0.00 -0.04 -1.26 -3.06 135.00 136.26 1gwi n PRO 356 Ca 0.33 -0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1gwi n PRO 356 Cb 0.07 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.38 1gwi n PRO 356 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gwi n GLY 357 N 1.23 2.67 0.14 0.55 0.00 -1.26 -4.55 105.19 103.98 1gwi n GLY 357 Ca 0.16 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 1gwi n GLY 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwi h ALA 358 N 4.24 0.39 -0.44 4.61 0.00 -1.94 -0.79 119.26 125.33 1gwi h ALA 358 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1gwi h ALA 358 Cb 1.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1gwi h ALA 358 CO 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 179.25 179.18 1gwi h ALA 359 N 1.15 0.59 0.02 0.00 0.00 -1.88 -1.91 119.26 117.24 1gwi h ALA 359 Ca 0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1gwi h ALA 359 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1gwi h ALA 359 CO -0.07 0.42 -0.01 1.25 0.00 0.00 0.00 179.25 180.84 1gwi h LEU 360 N 0.63 -0.02 -0.71 0.00 5.85 -1.80 -0.35 115.31 118.92 1gwi h LEU 360 Ca 0.12 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1gwi h LEU 360 Cb 0.55 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1gwi h LEU 360 CO 0.03 -0.01 0.32 0.77 -0.34 0.00 0.00 178.44 179.21 1gwi h SER 361 N -0.02 0.94 -0.44 1.25 4.64 -1.15 -0.60 113.55 118.16 1gwi h SER 361 Ca -0.00 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1gwi h SER 361 Cb 0.02 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 1gwi h SER 361 CO 0.00 0.82 0.11 0.03 -0.87 0.00 0.00 176.83 176.92 1gwi h ARG 362 N 0.99 0.78 -0.22 4.77 3.08 -1.17 -1.13 114.38 121.48 1gwi h ARG 362 Ca 0.24 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1gwi h ARG 362 Cb 0.14 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1gwi h ARG 362 CO -0.03 0.71 -0.21 1.98 -1.07 0.00 0.00 179.97 181.36 1gwi h MET 363 N 0.75 0.53 0.01 0.04 4.05 -0.60 0.13 114.93 119.84 1gwi h MET 363 Ca 0.16 -0.28 -0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1gwi h MET 363 Cb 0.30 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1gwi h MET 363 CO 0.00 0.86 -0.00 0.93 0.23 0.00 0.00 176.91 178.93 1gwi h GLU 364 N 0.22 -0.01 -0.26 0.39 5.08 -0.87 -1.57 114.58 117.56 1gwi h GLU 364 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1gwi h GLU 364 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1gwi h GLU 364 CO 0.05 0.11 -0.25 0.00 -1.00 0.00 0.00 179.01 177.92 1gwi h ALA 365 N 0.87 1.08 0.00 3.43 0.00 -1.27 0.35 119.26 123.73 1gwi h ALA 365 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1gwi h ALA 365 Cb 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gwi h ALA 365 CO 0.00 0.56 -0.10 0.78 0.00 0.00 0.00 179.25 180.50 1gwi h GLY 366 N 1.01 0.00 0.07 0.00 0.00 -0.74 -1.83 103.07 101.58 1gwi h GLY 366 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.02 1gwi h GLY 366 CO 0.05 0.00 -2.11 -0.62 0.00 0.00 0.00 176.54 173.86 1gwi n VAL 367 N -3.36 1.56 -0.12 4.60 0.31 -0.61 -4.38 118.33 116.32 1gwi n VAL 367 Ca -0.01 -0.35 -0.09 0.00 -0.01 0.00 0.00 64.34 63.89 1gwi n VAL 367 Cb 0.28 -1.83 -0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1gwi n VAL 367 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gwi h ALA 368 N -0.56 0.49 0.24 3.52 0.00 -0.93 -2.87 119.26 119.15 1gwi h ALA 368 Ca -0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1gwi h ALA 368 Cb 1.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1gwi h ALA 368 CO -0.25 -0.00 -0.12 -0.07 0.00 0.00 0.00 179.25 178.81 1gwi h LEU 369 N 0.50 -0.28 -0.73 0.00 3.38 -1.56 -0.70 115.31 115.91 1gwi h LEU 369 Ca 0.14 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1gwi h LEU 369 Cb 0.03 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1gwi h LEU 369 CO -0.02 -0.14 0.48 -0.65 0.09 0.00 0.00 178.44 178.19 1gwi h PRO 370 N -0.39 0.94 -0.59 1.13 0.11 -1.76 -1.80 132.00 129.63 1gwi h PRO 370 Ca -0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1gwi h PRO 370 Cb 0.30 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 1gwi h PRO 370 CO 0.06 0.62 0.29 0.00 -0.21 0.00 0.00 178.00 178.75 1gwi h ALA 371 N 1.28 0.76 0.20 -0.75 0.00 -1.43 0.86 119.26 120.18 1gwi h ALA 371 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1gwi h ALA 371 Cb -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1gwi h ALA 371 CO -0.08 0.32 -0.09 1.25 0.00 0.00 0.00 179.25 180.65 1gwi h LEU 372 N 0.80 -0.22 -0.93 0.00 5.85 -0.73 -2.54 115.31 117.54 1gwi h LEU 372 Ca 0.20 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 1gwi h LEU 372 Cb 0.11 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1gwi h LEU 372 CO -0.03 -0.14 -0.44 1.88 -0.34 0.00 0.00 178.44 179.38 1gwi h TYR 373 N -0.29 0.00 -0.28 1.25 -1.99 -1.26 0.72 116.97 115.13 1gwi h TYR 373 Ca -0.03 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.60 1gwi h TYR 373 Cb 0.22 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 1gwi h TYR 373 CO -0.06 0.44 -0.24 0.00 -0.00 0.00 0.00 178.16 178.30 1gwi h ALA 374 N 1.56 1.06 0.19 3.88 0.00 -0.70 -0.47 119.26 124.78 1gwi h ALA 374 Ca -0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 54.91 54.22 1gwi h ALA 374 Cb 0.93 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1gwi h ALA 374 CO 0.06 0.57 -1.68 -0.09 0.00 0.00 0.00 179.25 178.11 1gwi h ARG 375 N 0.47 0.39 -2.16 0.00 2.43 -1.27 -3.40 114.38 110.85 1gwi h ARG 375 Ca 0.07 -0.67 -0.59 0.00 -0.81 0.00 0.00 59.98 57.98 1gwi h ARG 375 Cb 0.68 0.25 -0.41 0.00 -0.42 0.00 0.00 29.97 30.06 1gwi h ARG 375 CO 0.05 1.30 -0.73 1.19 -1.51 0.00 0.00 179.97 180.28 1gwi n PHE 376 N -3.58 2.78 -0.04 2.20 3.01 0.23 -4.94 117.46 117.12 1gwi n PHE 376 Ca -0.22 -4.00 0.21 0.00 1.01 0.00 0.00 57.45 54.44 1gwi n PHE 376 Cb 1.08 -0.50 0.68 0.00 -0.01 0.00 0.00 39.48 40.72 1gwi n PHE 376 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1gwi h PRO 377 N 3.91 0.04 -0.66 -1.08 0.11 -1.30 -1.53 132.00 131.48 1gwi h PRO 377 Ca 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1gwi h PRO 377 Cb 0.69 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1gwi h PRO 377 CO 0.75 0.03 0.00 0.72 -0.21 0.00 0.00 178.00 179.28 1gwi n HIS 378 N -4.38 0.98 -1.74 0.65 8.25 -1.26 -4.99 115.22 112.73 1gwi n HIS 378 Ca 0.11 -0.46 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 1gwi n HIS 378 Cb 0.64 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.70 1gwi n HIS 378 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1gwi n LEU 379 N 1.38 4.21 -3.76 2.41 -0.00 -0.58 -4.66 117.00 116.00 1gwi n LEU 379 Ca 0.23 1.19 -0.10 0.00 -0.00 0.00 0.00 56.01 57.33 1gwi n LEU 379 Cb 0.61 -1.56 -0.05 0.00 -0.00 0.00 0.00 43.42 42.42 1gwi n LEU 379 CO 0.16 -0.06 0.13 -0.62 -0.00 0.00 0.00 177.39 177.01 1gwi s ASP 380 N 0.03 -0.15 0.49 1.45 -1.08 -0.88 -4.97 116.67 111.56 1gwi s ASP 380 Ca 0.58 -0.53 -0.24 0.00 -0.52 0.00 0.00 52.55 51.84 1gwi s ASP 380 Cb -0.52 0.49 -0.07 0.00 -1.46 0.00 0.00 42.92 41.36 1gwi s ASP 380 CO 0.58 -0.92 1.40 0.18 0.52 0.00 0.00 175.17 176.93 1gwi n LEU 381 N -0.25 5.23 -0.72 -1.34 4.77 -1.26 -1.12 117.00 122.31 1gwi n LEU 381 Ca -0.12 1.07 0.13 0.00 -0.03 0.00 0.00 56.01 57.06 1gwi n LEU 381 Cb 0.63 -1.59 0.31 0.00 -2.33 0.00 0.00 43.42 40.44 1gwi n LEU 381 CO 0.19 -0.34 0.75 0.00 -1.33 0.00 0.00 177.39 176.66 1gwi n ALA 382 N -0.53 2.52 -2.47 -1.18 0.00 0.62 -4.63 120.51 114.84 1gwi n ALA 382 Ca 0.07 -0.57 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 1gwi n ALA 382 Cb 0.43 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 1gwi n ALA 382 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1gwi s VAL 383 N -2.00 0.10 0.41 0.00 -7.23 -1.26 -4.96 120.40 105.46 1gwi s VAL 383 Ca 0.33 -1.55 -0.27 0.00 -1.81 0.00 0.00 61.98 58.69 1gwi s VAL 383 Cb 0.20 -1.79 -0.09 0.00 0.56 0.00 0.00 36.38 35.26 1gwi s VAL 383 CO 0.32 -0.46 1.40 -2.84 -0.31 0.00 0.00 175.10 173.21 1gwi s PRO 384 N -3.97 3.95 0.38 4.82 0.02 -1.26 -4.86 135.00 134.07 1gwi s PRO 384 Ca 0.16 2.39 0.11 0.00 0.02 0.00 0.00 61.00 63.69 1gwi s PRO 384 Cb 0.05 -2.82 0.90 0.00 0.02 0.00 0.00 34.50 32.66 1gwi s PRO 384 CO -0.02 -0.59 1.87 0.00 -0.33 0.00 0.00 177.00 177.93 1gwi h ALA 385 N 2.72 1.94 0.00 -1.55 0.00 -1.98 0.24 119.26 120.63 1gwi h ALA 385 Ca -0.50 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1gwi h ALA 385 Cb 1.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1gwi h ALA 385 CO 0.63 -0.19 -0.04 0.00 0.00 0.00 0.00 179.25 179.65 1gwi h ALA 386 N 1.61 1.21 -0.00 0.00 0.00 -2.05 -1.53 119.26 118.50 1gwi h ALA 386 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1gwi h ALA 386 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1gwi h ALA 386 CO -0.19 0.04 -0.06 0.39 0.00 0.00 0.00 179.25 179.43 1gwi n GLU 387 N -3.44 0.68 -2.56 0.00 1.02 0.83 -4.83 120.64 112.34 1gwi n GLU 387 Ca -0.02 -0.16 -0.37 0.00 -0.02 0.00 0.00 57.16 56.58 1gwi n GLU 387 Cb 0.15 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 1gwi n GLU 387 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1gwi s LEU 388 N -2.43 4.25 0.07 -4.62 1.43 -0.58 -5.01 118.68 111.79 1gwi s LEU 388 Ca 0.31 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.50 1gwi s LEU 388 Cb 0.20 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 1gwi s LEU 388 CO 0.45 -0.36 -0.09 0.00 0.23 0.00 0.00 176.35 176.58 1gwi s ARG 389 N -2.21 0.69 0.39 1.70 1.70 -1.26 -5.06 118.95 114.89 1gwi s ARG 389 Ca 0.54 -0.95 -0.13 0.00 -0.47 0.00 0.00 55.73 54.72 1gwi s ARG 389 Cb -0.24 -0.42 -0.08 0.00 -0.57 0.00 0.00 34.95 33.65 1gwi s ARG 389 CO 0.30 0.07 0.79 -0.80 -1.08 0.00 0.00 175.30 174.57 1gwi s ASN 390 N -1.99 6.63 0.38 -2.89 0.01 -1.26 -0.20 114.94 115.62 1gwi s ASN 390 Ca -0.02 1.25 -0.21 0.00 -0.71 0.00 0.00 52.86 53.16 1gwi s ASN 390 Cb -0.06 -2.37 -0.10 0.00 0.41 0.00 0.00 41.25 39.13 1gwi s ASN 390 CO -0.00 -0.35 0.91 -0.54 -1.51 0.00 0.00 177.10 175.61 1gwi s LYS 391 N -3.55 4.29 -0.68 -0.60 1.02 0.12 -4.62 119.74 115.71 1gwi s LYS 391 Ca 0.53 1.10 -0.20 0.00 0.02 0.00 0.00 55.97 57.42 1gwi s LYS 391 Cb -0.10 -2.41 -0.16 0.00 -0.52 0.00 0.00 37.83 34.64 1gwi s LYS 391 CO 0.26 0.09 1.89 -0.35 -0.92 0.00 0.00 175.35 176.32 1gwi n PRO 392 N -0.23 1.37 -3.58 -1.68 -0.04 -1.26 -4.67 135.00 124.91 1gwi n PRO 392 Ca 0.05 -1.66 -0.29 0.00 -0.04 0.00 0.00 63.50 61.55 1gwi n PRO 392 Cb 0.53 -2.78 -0.15 0.00 -0.04 0.00 0.00 33.50 31.06 1gwi n PRO 392 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1gwi s VAL 393 N 5.01 0.20 0.40 0.52 1.01 -1.16 -4.79 120.40 121.60 1gwi s VAL 393 Ca 0.55 -1.02 0.20 0.00 0.00 0.00 0.00 61.98 61.70 1gwi s VAL 393 Cb 0.14 -1.18 0.40 0.00 0.00 0.00 0.00 36.38 35.74 1gwi s VAL 393 CO 0.12 -0.74 1.76 1.62 0.00 0.00 0.00 175.10 177.86 1gwi h VAL 394 N 6.30 0.48 0.00 2.92 3.04 -1.83 -1.66 116.25 125.51 1gwi h VAL 394 Ca -0.16 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1gwi h VAL 394 Cb 1.01 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1gwi h VAL 394 CO 0.44 0.07 -0.36 0.35 -1.01 0.00 0.00 177.57 177.05 1gwi n THR 395 N -4.63 0.03 -4.34 3.17 -2.24 -1.26 -4.60 114.28 100.41 1gwi n THR 395 Ca 0.26 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.75 1gwi n THR 395 Cb 0.93 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 1gwi n THR 395 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1gwi s GLN 396 N -3.01 1.82 -0.77 -0.78 -0.21 -0.63 -1.39 119.66 114.69 1gwi s GLN 396 Ca 0.12 -1.37 0.03 0.00 0.02 0.00 0.00 55.36 54.16 1gwi s GLN 396 Cb 0.18 -2.03 0.25 0.00 1.00 0.00 0.00 33.01 32.40 1gwi s GLN 396 CO 0.65 0.42 0.86 -1.71 -2.12 0.00 0.00 175.29 173.40 1gwi n ASN 397 N 0.19 4.25 -4.48 5.90 5.15 0.21 -4.73 115.26 121.75 1gwi n ASN 397 Ca -0.12 -3.37 -0.33 0.00 -0.60 0.00 0.00 54.58 50.16 1gwi n ASN 397 Cb 0.55 -0.85 -0.13 0.00 -0.53 0.00 0.00 39.78 38.82 1gwi n ASN 397 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1gwi s ASP 398 N -1.89 4.18 0.27 1.20 1.01 -1.26 -4.67 116.67 115.51 1gwi s ASP 398 Ca 0.35 -0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.32 1gwi s ASP 398 Cb 0.07 -1.07 -0.08 0.00 1.01 0.00 0.00 42.92 42.85 1gwi s ASP 398 CO -0.03 0.31 0.62 -0.76 0.21 0.00 0.00 175.17 175.53 1gwi s LEU 399 N -0.52 4.11 0.13 1.23 1.43 -1.26 0.13 118.68 123.92 1gwi s LEU 399 Ca 0.07 1.03 -0.19 0.00 -1.03 0.00 0.00 54.13 54.01 1gwi s LEU 399 Cb -0.12 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 1gwi s LEU 399 CO 0.02 -0.14 1.78 0.15 0.23 0.00 0.00 176.35 178.38 1gwi h PHE 400 N 2.32 0.27 -2.91 0.29 3.57 -0.84 -3.43 116.94 116.21 1gwi h PHE 400 Ca -0.47 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.09 1gwi h PHE 400 Cb 1.17 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.75 1gwi h PHE 400 CO 0.61 0.17 0.26 -1.83 -2.23 0.00 0.00 178.31 175.29 1gwi s GLU 401 N -6.17 1.54 -0.60 1.11 -1.05 -1.26 -4.99 118.70 107.28 1gwi s GLU 401 Ca -0.13 -0.77 0.04 0.00 -0.15 0.00 0.00 54.97 53.96 1gwi s GLU 401 Cb 0.09 0.57 0.17 0.00 -0.44 0.00 0.00 34.13 34.52 1gwi s GLU 401 CO 0.70 -0.70 0.43 -1.17 0.95 0.00 0.00 175.26 175.47 1gwi s LEU 402 N -2.85 3.68 0.00 1.83 2.96 -1.26 -4.81 118.68 118.23 1gwi s LEU 402 Ca 0.08 -3.53 -0.30 0.00 -0.22 0.00 0.00 54.13 50.16 1gwi s LEU 402 Cb -0.04 -1.25 -0.06 0.00 0.50 0.00 0.00 46.19 45.34 1gwi s LEU 402 CO -0.00 -0.12 1.51 -2.84 -1.32 0.00 0.00 176.35 173.58 1gwi s PRO 403 N -0.87 4.24 0.12 0.98 0.02 -1.26 -1.10 135.00 137.13 1gwi s PRO 403 Ca 0.27 2.10 -0.07 0.00 0.02 0.00 0.00 61.00 63.31 1gwi s PRO 403 Cb -0.04 -3.66 -0.01 0.00 0.02 0.00 0.00 34.50 30.81 1gwi s PRO 403 CO -0.16 -0.67 0.19 0.14 -0.33 0.00 0.00 177.00 176.17 1gwi s VAL 404 N 2.78 0.11 -0.22 3.83 -7.23 -0.37 -0.27 120.40 119.04 1gwi s VAL 404 Ca 0.68 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1gwi s VAL 404 Cb -0.34 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 34.97 1gwi s VAL 404 CO 0.28 -0.51 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.30 1gwi s ARG 405 N -3.93 2.84 0.40 4.82 0.52 -0.28 -1.13 118.95 122.18 1gwi s ARG 405 Ca 0.13 -0.95 0.12 0.00 -0.52 0.00 0.00 55.73 54.50 1gwi s ARG 405 Cb 0.05 -2.79 0.82 0.00 0.52 0.00 0.00 34.95 33.55 1gwi s ARG 405 CO -0.05 -0.33 1.91 -0.07 0.02 0.00 0.00 175.30 176.78 1gwi h LEU 406 N 7.94 0.09 -7.65 2.53 3.38 -1.85 -2.34 115.31 117.42 1gwi h LEU 406 Ca -0.37 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1gwi h LEU 406 Cb 1.11 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 1gwi h LEU 406 CO 0.58 0.32 -0.04 0.00 0.09 0.00 0.00 178.44 179.40 1gwi s ALA 407 N -4.53 -0.82 -0.22 1.53 0.00 -1.26 -3.02 121.76 113.44 1gwi s ALA 407 Ca -0.04 -0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 1gwi s ALA 407 Cb 0.15 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1gwi s ALA 407 CO 0.72 -0.74 1.50 -1.01 0.00 0.00 0.00 175.76 176.23 1gwi s HIS 408 N -3.87 2.32 0.46 0.00 3.76 -1.26 -4.92 115.29 111.78 1gwi s HIS 408 Ca 0.08 0.65 0.02 0.00 -0.15 0.00 0.00 55.06 55.66 1gwi s HIS 408 Cb 0.00 -3.91 0.09 0.00 1.11 0.00 0.00 32.58 29.87 1gwi s HIS 408 CO -0.05 -2.57 0.63 -2.39 -0.85 0.00 0.00 174.74 169.52 1gwi n HIS 409 N 7.96 -2.93 0.00 1.40 -0.00 -1.26 -5.09 115.22 115.31 1gwi n HIS 409 Ca 0.17 -1.25 0.00 0.00 -0.00 0.00 0.00 57.72 56.64 1gwi n HIS 409 Cb 0.45 -0.46 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1gwi n HIS 409 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06