#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 4.47 -0.35 0.00 3.52 -1.26 -4.80 118.95 120.53 1gwi s ARG 9 Ca 0.00 1.02 -0.19 0.00 -0.13 0.00 0.00 55.73 56.43 1gwi s ARG 9 Cb 0.00 -3.34 -0.00 0.00 -1.56 0.00 0.00 34.95 30.05 1gwi s ARG 9 CO 0.00 0.34 0.58 0.42 -0.81 0.00 0.00 175.30 175.84 1gwi s ILE 10 N -0.25 4.94 -0.02 4.11 1.01 -0.41 -4.83 121.20 125.75 1gwi s ILE 10 Ca 0.37 0.49 -0.29 0.00 0.00 0.00 0.00 60.65 61.21 1gwi s ILE 10 Cb -0.20 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 1gwi s ILE 10 CO 0.22 -0.27 0.95 -2.84 0.00 0.00 0.00 174.94 173.01 1gwi s PRO 11 N 2.57 4.53 -0.11 2.79 0.02 -1.26 -0.65 135.00 142.89 1gwi s PRO 11 Ca 0.22 1.36 -0.25 0.00 0.02 0.00 0.00 61.00 62.35 1gwi s PRO 11 Cb -0.15 -3.47 -0.03 0.00 0.02 0.00 0.00 34.50 30.88 1gwi s PRO 11 CO 0.14 -0.07 0.79 -0.51 -0.33 0.00 0.00 177.00 177.02 1gwi s LEU 12 N 1.11 4.26 -0.15 -5.54 1.43 -0.63 -4.90 118.68 114.26 1gwi s LEU 12 Ca 0.50 1.23 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 1gwi s LEU 12 Cb -0.20 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 1gwi s LEU 12 CO 0.26 -0.26 1.78 -0.62 0.23 0.00 0.00 176.35 177.74 1gwi s ASP 13 N 0.99 6.28 0.53 2.29 2.15 -1.26 -4.44 116.67 123.21 1gwi s ASP 13 Ca 0.39 1.94 0.35 0.00 0.43 0.00 0.00 52.55 55.67 1gwi s ASP 13 Cb -0.18 -2.53 1.67 0.00 -0.30 0.00 0.00 42.92 41.58 1gwi s ASP 13 CO 0.17 -1.29 2.05 1.55 -0.17 0.00 0.00 175.17 177.48 1gwi h PRO 14 N 11.25 0.00 -0.01 4.34 0.13 -1.95 -2.01 132.00 143.74 1gwi h PRO 14 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1gwi h PRO 14 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1gwi h PRO 14 CO 0.98 0.00 -0.48 1.19 -0.23 0.00 0.00 178.00 179.46 1gwi n PHE 15 N -2.88 0.00 -3.82 1.56 3.01 -1.26 -3.76 117.46 110.31 1gwi n PHE 15 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.15 1gwi n PHE 15 Cb 0.18 -0.12 0.02 0.00 -0.01 0.00 0.00 39.48 39.55 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 -0.92 -4.49 0.35 -4.37 0.31 -0.76 -4.37 118.33 104.07 1gwi n VAL 16 Ca 0.08 -0.75 0.12 0.00 -0.01 0.00 0.00 64.34 63.79 1gwi n VAL 16 Cb 0.36 -3.51 0.19 0.00 -0.91 0.00 0.00 33.84 29.98 1gwi n VAL 16 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1gwi h THR 17 N -1.94 0.00 -0.71 2.52 1.35 -1.93 -3.41 112.91 108.78 1gwi h THR 17 Ca -0.66 -0.79 -0.33 0.00 -0.55 0.00 0.00 66.41 64.08 1gwi h THR 17 Cb 1.37 1.62 -0.22 0.00 -1.73 0.00 0.00 68.15 69.18 1gwi h THR 17 CO 0.54 0.00 -0.70 -0.67 -0.25 0.00 0.00 175.52 174.44 1gwi n ASP 18 N -2.65 -1.90 -0.01 5.36 2.03 -1.26 -5.02 116.55 113.10 1gwi n ASP 18 Ca 0.03 -3.08 -0.09 0.00 0.52 0.00 0.00 54.79 52.17 1gwi n ASP 18 Cb 0.50 1.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.87 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 4.06 -0.46 -1.48 -2.67 5.85 -1.99 -1.61 115.31 117.01 1gwi h LEU 19 Ca -0.07 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1gwi h LEU 19 Cb 0.98 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1gwi h LEU 19 CO 0.36 -0.19 0.25 0.44 -0.34 0.00 0.00 178.44 178.96 1gwi h ASP 20 N -0.18 0.53 -0.05 1.25 3.32 -1.98 0.17 116.42 119.48 1gwi h ASP 20 Ca 0.10 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 1gwi h ASP 20 Cb 0.32 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1gwi h ASP 20 CO -0.24 0.42 -0.58 1.23 -1.72 0.00 0.00 179.24 178.35 1gwi h GLY 21 N 0.67 0.71 1.22 2.75 0.00 -1.90 -1.81 103.07 104.70 1gwi h GLY 21 Ca 0.16 -0.85 -0.17 0.00 0.00 0.00 0.00 47.33 46.47 1gwi h GLY 21 CO -0.03 0.76 -0.46 -2.09 0.00 0.00 0.00 176.54 174.73 1gwi h GLU 22 N 0.49 0.84 -0.65 4.80 4.81 -0.73 -2.16 114.58 121.98 1gwi h GLU 22 Ca 0.00 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1gwi h GLU 22 Cb 1.15 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1gwi h GLU 22 CO 0.11 1.12 0.38 0.77 -0.73 0.00 0.00 179.01 180.66 1gwi h SER 23 N 0.67 0.79 -0.63 1.04 0.02 -0.56 -0.50 113.55 114.38 1gwi h SER 23 Ca 0.04 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1gwi h SER 23 Cb 1.04 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 1gwi h SER 23 CO 0.10 0.63 0.27 0.00 -1.14 0.00 0.00 176.83 176.69 1gwi h ALA 24 N 1.19 0.81 -0.62 3.77 0.00 -1.21 -1.49 119.26 121.72 1gwi h ALA 24 Ca 0.23 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1gwi h ALA 24 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1gwi h ALA 24 CO -0.04 0.41 0.40 -0.09 0.00 0.00 0.00 179.25 179.93 1gwi h ARG 25 N 0.87 0.78 -0.65 0.00 2.43 -0.87 -1.48 114.38 115.46 1gwi h ARG 25 Ca 0.21 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1gwi h ARG 25 Cb 0.18 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1gwi h ARG 25 CO -0.02 0.52 0.19 -0.07 -1.51 0.00 0.00 179.97 179.08 1gwi h LEU 26 N 0.80 0.96 -0.61 3.80 3.38 -0.74 -2.33 115.31 120.57 1gwi h LEU 26 Ca 0.23 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1gwi h LEU 26 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1gwi h LEU 26 CO -0.07 0.92 0.15 0.03 0.09 0.00 0.00 178.44 179.56 1gwi h ARG 27 N 0.95 0.98 -0.69 1.13 3.08 -0.89 -1.41 114.38 117.53 1gwi h ARG 27 Ca 0.21 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1gwi h ARG 27 Cb 0.31 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1gwi h ARG 27 CO -0.00 0.89 0.45 0.00 -1.07 0.00 0.00 179.97 180.23 1gwi h ALA 28 N 1.04 1.49 -0.07 0.04 0.00 -1.07 -1.29 119.26 119.41 1gwi h ALA 28 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1gwi h ALA 28 Cb 0.36 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1gwi h ALA 28 CO 0.00 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1gwi n ALA 29 N -2.43 2.56 -1.43 0.00 0.00 -0.89 -4.94 120.51 113.38 1gwi n ALA 29 Ca 0.07 -0.45 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 1gwi n ALA 29 Cb 0.04 -1.16 0.18 0.00 0.00 0.00 0.00 19.45 18.51 1gwi n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwi n GLY 30 N 1.13 -1.98 0.19 0.00 0.00 -0.49 -3.78 105.19 100.27 1gwi n GLY 30 Ca 0.18 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.65 1gwi n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gwi h PRO 31 N 0.00 0.00 -4.21 1.61 0.13 -1.91 -3.46 132.00 124.16 1gwi h PRO 31 Ca -0.33 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.10 1gwi h PRO 31 Cb 0.95 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.74 1gwi h PRO 31 CO 0.23 0.37 -0.48 -1.17 -0.23 0.00 0.00 178.00 176.71 1gwi s LEU 32 N -7.26 5.30 -0.03 1.56 2.96 -1.26 -0.22 118.68 119.73 1gwi s LEU 32 Ca -0.01 -2.26 -0.04 0.00 -0.22 0.00 0.00 54.13 51.60 1gwi s LEU 32 Cb 0.12 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1gwi s LEU 32 CO 0.69 -0.51 0.19 0.00 -1.32 0.00 0.00 176.35 175.39 1gwi s ALA 33 N 0.81 3.93 -0.19 5.97 0.00 0.17 -4.90 121.76 127.54 1gwi s ALA 33 Ca 0.11 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 1gwi s ALA 33 Cb -0.22 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1gwi s ALA 33 CO -0.04 0.70 0.58 0.00 0.00 0.00 0.00 175.76 177.01 1gwi s ALA 34 N -1.25 3.54 0.30 0.00 0.00 -1.26 -0.43 121.76 122.65 1gwi s ALA 34 Ca 0.24 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.92 1gwi s ALA 34 Cb -0.13 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1gwi s ALA 34 CO 0.15 -0.49 0.09 0.14 0.00 0.00 0.00 175.76 175.65 1gwi s VAL 35 N 1.75 0.79 -0.13 0.00 -7.23 -0.57 -1.29 120.40 113.72 1gwi s VAL 35 Ca 0.27 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1gwi s VAL 35 Cb -0.16 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.14 1gwi s VAL 35 CO 0.10 0.00 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.07 1gwi s GLU 36 N -3.94 2.00 0.56 4.82 2.12 0.18 -1.93 118.70 122.50 1gwi s GLU 36 Ca 0.36 -0.44 -0.14 0.00 0.36 0.00 0.00 54.97 55.10 1gwi s GLU 36 Cb 0.08 -1.89 -0.06 0.00 0.26 0.00 0.00 34.13 32.52 1gwi s GLU 36 CO 0.15 -0.23 1.01 -0.51 -0.54 0.00 0.00 175.26 175.13 1gwi s LEU 37 N 1.52 3.46 0.20 2.70 1.43 0.10 -1.61 118.68 126.50 1gwi s LEU 37 Ca 0.04 1.53 -0.32 0.00 -1.03 0.00 0.00 54.13 54.35 1gwi s LEU 37 Cb -0.13 -4.50 -0.15 0.00 0.03 0.00 0.00 46.19 41.45 1gwi s LEU 37 CO -0.09 -0.75 1.25 -2.65 0.23 0.00 0.00 176.35 174.34 1gwi n PRO 38 N -2.06 1.49 0.00 1.29 -0.02 -1.26 -1.83 135.00 132.61 1gwi n PRO 38 Ca 0.07 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1gwi n PRO 38 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.03 0.90 2.21 -1.23 0.00 -1.26 -4.42 105.19 103.42 1gwi n GLY 39 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.78 0.70 3.60 -0.02 0.00 -0.76 -5.01 105.19 101.92 1gwi n GLY 40 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.34 4.93 0.17 1.61 1.01 -1.03 -4.87 120.40 119.88 1gwi s VAL 41 Ca 0.00 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 1gwi s VAL 41 Cb 0.00 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1gwi s VAL 41 CO 0.00 -0.14 0.99 -2.16 0.00 0.00 0.00 175.10 173.79 1gwi s PRO 42 N 2.63 4.72 0.23 2.72 0.04 -1.26 0.03 135.00 144.11 1gwi s PRO 42 Ca 0.26 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 1gwi s PRO 42 Cb -0.15 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.07 1gwi s PRO 42 CO 0.12 0.28 0.51 0.14 0.04 0.00 0.00 177.00 178.08 1gwi s VAL 43 N -0.43 0.01 0.17 -0.36 -7.23 -0.81 -4.76 120.40 106.98 1gwi s VAL 43 Ca 0.46 -1.22 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 1gwi s VAL 43 Cb -0.26 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1gwi s VAL 43 CO 0.32 -0.05 0.21 0.26 -0.31 0.00 0.00 175.10 175.53 1gwi s TRP 44 N -3.97 3.28 -0.03 2.82 0.52 0.19 -1.51 118.94 120.25 1gwi s TRP 44 Ca 0.18 0.02 0.00 0.00 0.02 0.00 0.00 56.10 56.32 1gwi s TRP 44 Cb -0.01 -1.56 0.03 0.00 -1.15 0.00 0.00 33.47 30.78 1gwi s TRP 44 CO 0.06 0.51 0.01 0.00 0.02 0.00 0.00 176.95 177.54 1gwi s ALA 45 N -1.81 0.31 -0.24 0.98 0.00 0.43 -0.80 121.76 120.63 1gwi s ALA 45 Ca 0.33 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1gwi s ALA 45 Cb -0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1gwi s ALA 45 CO 0.26 -0.11 0.52 0.54 0.00 0.00 0.00 175.76 176.97 1gwi s VAL 46 N 1.11 5.08 -0.80 0.00 0.11 -1.02 -0.66 120.40 124.21 1gwi s VAL 46 Ca -0.09 0.91 0.08 0.00 -2.93 0.00 0.00 61.98 59.95 1gwi s VAL 46 Cb -0.13 -3.83 0.19 0.00 -1.53 0.00 0.00 36.38 31.08 1gwi s VAL 46 CO -0.02 0.11 1.09 0.35 -3.33 0.00 0.00 175.10 173.30 1gwi n THR 47 N 5.00 0.75 -4.86 5.04 -2.24 0.70 -2.38 114.28 116.28 1gwi n THR 47 Ca -0.04 -0.88 -0.30 0.00 -2.27 0.00 0.00 64.05 60.56 1gwi n THR 47 Cb 0.50 0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.93 2.33 0.09 4.78 3.76 -1.26 -3.74 115.29 120.32 1gwi s HIS 48 Ca 0.16 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.37 1gwi s HIS 48 Cb 0.09 -1.39 -0.12 0.00 1.11 0.00 0.00 32.58 32.27 1gwi s HIS 48 CO 0.12 0.14 1.47 1.25 -0.85 0.00 0.00 174.74 176.88 1gwi h HIS 49 N 4.72 -1.34 -0.14 1.40 2.76 -1.94 -1.88 115.15 118.72 1gwi h HIS 49 Ca -0.47 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 57.79 1gwi h HIS 49 Cb 1.14 0.58 -0.06 0.00 1.55 0.00 0.00 27.41 30.63 1gwi h HIS 49 CO 0.49 -0.50 -0.22 0.00 -1.30 0.00 0.00 177.93 176.40 1gwi h ALA 50 N -0.62 -0.17 -0.66 5.26 0.00 -1.97 -2.13 119.26 118.96 1gwi h ALA 50 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1gwi h ALA 50 Cb 0.63 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1gwi h ALA 50 CO -0.28 -0.67 0.35 0.93 0.00 0.00 0.00 179.25 179.57 1gwi h GLU 51 N -0.27 0.93 -0.43 0.00 3.07 -1.96 -2.39 114.58 113.52 1gwi h GLU 51 Ca 0.10 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1gwi h GLU 51 Cb 0.42 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1gwi h GLU 51 CO -0.29 0.69 0.20 0.00 -1.40 0.00 0.00 179.01 178.21 1gwi h ALA 52 N 1.45 0.55 -0.93 3.43 0.00 -0.97 -0.56 119.26 122.23 1gwi h ALA 52 Ca 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gwi h ALA 52 Cb 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1gwi h ALA 52 CO -0.04 0.12 0.57 0.87 0.00 0.00 0.00 179.25 180.78 1gwi h LYS 53 N 0.55 1.26 -0.16 0.00 1.57 -1.06 0.23 116.57 118.95 1gwi h LYS 53 Ca 0.14 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1gwi h LYS 53 Cb 0.14 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1gwi h LYS 53 CO -0.02 0.88 0.03 0.00 -0.57 0.00 0.00 179.45 179.77 1gwi h ALA 54 N 1.31 0.21 -0.22 3.86 0.00 -1.11 -3.01 119.26 120.30 1gwi h ALA 54 Ca 0.34 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1gwi h ALA 54 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1gwi h ALA 54 CO -0.06 -0.13 -0.11 -0.07 0.00 0.00 0.00 179.25 178.88 1gwi h LEU 55 N 0.05 0.34 -1.44 0.00 3.38 -0.76 -2.41 115.31 114.47 1gwi h LEU 55 Ca 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1gwi h LEU 55 Cb 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1gwi h LEU 55 CO 0.00 0.48 0.00 -0.07 0.09 0.00 0.00 178.44 178.94 1gwi h LEU 56 N 0.34 0.00 -2.47 1.67 3.38 -0.83 -2.43 115.31 114.96 1gwi h LEU 56 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1gwi h LEU 56 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1gwi h LEU 56 CO 0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1gwi n THR 57 N -2.79 0.72 -2.91 0.22 -2.24 -0.94 -4.39 114.28 101.95 1gwi n THR 57 Ca 0.00 -0.86 -0.42 0.00 -2.27 0.00 0.00 64.05 60.51 1gwi n THR 57 Cb 0.24 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.00 6.66 0.54 3.42 -1.08 -0.92 -4.94 116.67 119.36 1gwi s ASP 58 Ca 0.22 0.61 0.36 0.00 -0.52 0.00 0.00 52.55 53.21 1gwi s ASP 58 Cb 0.12 -2.42 1.96 0.00 -1.46 0.00 0.00 42.92 41.12 1gwi s ASP 58 CO 0.16 -0.69 2.10 -0.65 0.52 0.00 0.00 175.17 176.61 1gwi h PRO 59 N 8.24 0.00 0.00 4.34 0.11 -1.93 -2.01 132.00 140.75 1gwi h PRO 59 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1gwi h PRO 59 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1gwi h PRO 59 CO 0.91 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 1gwi h ARG 60 N 0.00 0.00 -4.44 1.05 3.08 -1.94 -3.41 114.38 108.73 1gwi h ARG 60 Ca 0.00 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.32 1gwi h ARG 60 Cb 0.02 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.84 1gwi h ARG 60 CO 0.00 0.00 -0.41 -0.51 -1.07 0.00 0.00 179.97 177.98 1gwi s LEU 61 N -5.15 5.25 0.35 3.04 1.43 -0.76 -0.31 118.68 122.53 1gwi s LEU 61 Ca 0.07 -1.09 0.09 0.00 -1.03 0.00 0.00 54.13 52.16 1gwi s LEU 61 Cb 0.09 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1gwi s LEU 61 CO 0.56 -0.52 0.06 0.68 0.23 0.00 0.00 176.35 177.36 1gwi s VAL 62 N 1.64 2.71 -0.19 -1.59 -7.23 0.20 -4.81 120.40 111.13 1gwi s VAL 62 Ca 0.04 -1.88 0.18 0.00 -1.81 0.00 0.00 61.98 58.52 1gwi s VAL 62 Cb -0.21 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1gwi s VAL 62 CO 0.08 -0.18 1.13 0.11 -0.31 0.00 0.00 175.10 175.93 1gwi h LYS 63 N 1.71 0.00 -5.71 4.82 1.79 -1.85 0.38 116.57 117.71 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 1.25 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.87 1gwi h LYS 63 CO 0.66 0.24 1.52 -3.47 -1.08 0.00 0.00 179.45 177.32 1gwi n ASP 64 N -2.95 1.57 0.23 0.86 4.64 -1.26 -4.80 116.55 114.85 1gwi n ASP 64 Ca -0.03 0.24 0.16 0.00 -1.38 0.00 0.00 54.79 53.78 1gwi n ASP 64 Cb 0.71 -1.19 0.78 0.00 -1.04 0.00 0.00 41.12 40.37 1gwi n ASP 64 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 1gwi h ILE 65 N 7.39 0.00 0.00 5.18 2.10 -1.89 -1.30 117.51 128.98 1gwi h ILE 65 Ca -0.19 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1gwi h ILE 65 Cb 1.32 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 1gwi h ILE 65 CO 1.13 0.00 0.00 0.78 -1.08 0.00 0.00 178.15 178.98 1gwi h ASN 66 N 0.00 0.00 1.38 2.19 -0.26 -1.99 -1.71 115.58 115.18 1gwi h ASN 66 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 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 0.00 -0.14 0.58 -1.06 0.00 0.00 177.43 176.81 1gwi h VAL 67 N 0.00 0.00 -3.15 2.81 2.07 -1.61 -3.45 116.25 112.93 1gwi h VAL 67 Ca 0.00 -0.52 -0.57 0.00 0.82 0.00 0.00 66.70 66.43 1gwi h VAL 67 Cb 0.36 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1gwi h VAL 67 CO 0.00 0.00 1.07 0.86 0.02 0.00 0.00 177.57 179.52 1gwi s TRP 68 N -3.12 2.40 0.11 1.57 -0.00 -0.65 -4.28 118.94 114.98 1gwi s TRP 68 Ca 0.09 0.71 -0.27 0.00 -0.00 0.00 0.00 56.10 56.63 1gwi s TRP 68 Cb 0.12 -4.16 -0.08 0.00 -0.00 0.00 0.00 33.47 29.35 1gwi s TRP 68 CO 0.63 -2.08 1.63 0.78 -0.00 0.00 0.00 176.95 177.91 1gwi h GLY 69 N 11.91 -0.50 0.47 5.86 0.00 -1.47 -2.18 103.07 117.16 1gwi h GLY 69 Ca -0.28 0.33 0.15 0.00 0.00 0.00 0.00 47.33 47.52 1gwi h GLY 69 CO 1.06 -0.23 0.59 0.00 0.00 0.00 0.00 176.54 177.96 1gwi h ALA 70 N 0.25 1.80 0.33 3.60 0.00 -1.92 -2.00 119.26 121.33 1gwi h ALA 70 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1gwi h ALA 70 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gwi h ALA 70 CO -0.18 -0.05 -0.16 2.35 0.00 0.00 0.00 179.25 181.21 1gwi h TRP 71 N 0.72 -0.42 -0.96 0.00 2.91 -1.74 -1.23 115.95 115.23 1gwi h TRP 71 Ca 0.47 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.57 1gwi h TRP 71 Cb 0.73 0.14 -0.07 0.00 -0.51 0.00 0.00 29.16 29.45 1gwi h TRP 71 CO -0.00 -0.21 0.62 0.00 -1.03 0.00 0.00 178.44 177.81 1gwi h ARG 72 N -0.52 0.98 -0.99 2.65 3.08 -0.82 -0.84 114.38 117.92 1gwi h ARG 72 Ca -0.05 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1gwi h ARG 72 Cb 0.39 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1gwi h ARG 72 CO 0.08 0.65 0.01 0.54 -1.07 0.00 0.00 179.97 180.17 1gwi n ARG 73 N -4.54 1.09 -3.33 0.04 1.74 -0.83 -4.84 116.66 105.99 1gwi n ARG 73 Ca 0.16 -0.10 -0.21 0.00 -0.77 0.00 0.00 57.85 56.94 1gwi n ARG 73 Cb 0.28 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.16 -0.47 0.16 -0.13 0.00 -0.32 -4.79 105.19 99.80 1gwi n GLY 74 Ca 0.01 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.40 0.60 -3.57 1.61 1.02 -0.48 -4.77 120.64 111.66 1gwi n GLU 75 Ca 0.01 -0.32 -0.40 0.00 -0.02 0.00 0.00 57.16 56.43 1gwi n GLU 75 Cb 0.51 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.62 4.96 0.26 -3.67 -1.09 -1.25 -5.00 121.20 112.80 1gwi s ILE 76 Ca 0.22 -0.43 -0.30 0.00 -2.23 0.00 0.00 60.65 57.91 1gwi s ILE 76 Cb 0.19 -3.60 -0.14 0.00 -1.58 0.00 0.00 42.46 37.33 1gwi s ILE 76 CO 0.55 -0.06 1.21 -2.65 -1.23 0.00 0.00 174.94 172.76 1gwi n PRO 77 N 5.06 1.68 0.23 2.79 -0.02 -1.26 -4.85 135.00 138.62 1gwi n PRO 77 Ca -0.13 0.59 0.16 0.00 -2.02 0.00 0.00 63.50 62.10 1gwi n PRO 77 Cb 0.49 -2.11 0.71 0.00 -0.02 0.00 0.00 33.50 32.56 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 3.01 1.00 -0.45 3.55 0.00 -1.97 -1.85 119.26 122.56 1gwi h ALA 78 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1gwi h ALA 78 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1gwi h ALA 78 CO 0.67 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 1gwi n ASP 79 N -2.72 4.31 -4.68 0.00 3.85 -1.26 -4.98 116.55 111.07 1gwi n ASP 79 Ca 0.00 -2.64 -0.42 0.00 -0.71 0.00 0.00 54.79 51.02 1gwi n ASP 79 Cb 0.20 -0.52 -0.03 0.00 -1.35 0.00 0.00 41.12 39.42 1gwi n ASP 79 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.20 178.06 1gwi n TRP 80 N 0.38 2.60 -0.33 2.11 -0.00 -0.70 -4.85 117.44 116.66 1gwi n TRP 80 Ca 0.22 -0.23 0.35 0.00 -0.00 0.00 0.00 57.50 57.84 1gwi n TRP 80 Cb 0.86 -2.76 0.74 0.00 -0.00 0.00 0.00 31.31 30.15 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 9.25 0.03 -0.65 5.87 0.11 -1.91 -1.10 132.00 143.59 1gwi h PRO 81 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1gwi h PRO 81 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1gwi h PRO 81 CO 0.95 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 180.03 1gwi n LEU 82 N -4.21 3.79 -0.09 2.35 4.77 -1.26 -4.53 117.00 117.81 1gwi n LEU 82 Ca 0.26 -1.95 0.13 0.00 -0.03 0.00 0.00 56.01 54.42 1gwi n LEU 82 Cb 1.24 -0.44 0.52 0.00 -2.33 0.00 0.00 43.42 42.41 1gwi n LEU 82 CO 0.39 0.93 1.19 -0.29 -1.33 0.00 0.00 177.39 178.29 1gwi h ILE 83 N 4.04 0.87 0.00 -0.08 2.10 -1.56 -0.51 117.51 122.36 1gwi h ILE 83 Ca 0.00 -0.13 -0.02 0.00 1.08 0.00 0.00 64.86 65.79 1gwi h ILE 83 Cb 0.96 0.46 -0.00 0.00 -1.09 0.00 0.00 36.82 37.14 1gwi h ILE 83 CO 0.00 0.07 -0.12 1.23 -1.08 0.00 0.00 178.15 178.25 1gwi h GLY 84 N 0.37 0.00 1.55 8.18 0.00 -1.81 0.23 103.07 111.59 1gwi h GLY 84 Ca 0.29 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.36 1gwi h GLY 84 CO -0.08 0.00 -1.31 1.41 0.00 0.00 0.00 176.54 176.56 1gwi h LEU 85 N 0.00 0.13 0.13 3.11 3.38 -1.44 -3.27 115.31 117.35 1gwi h LEU 85 Ca -0.00 -0.17 -0.29 0.00 0.09 0.00 0.00 57.88 57.51 1gwi h LEU 85 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1gwi h LEU 85 CO 0.02 1.14 -1.38 0.00 0.09 0.00 0.00 178.44 178.31 1gwi h ALA 86 N 0.84 0.16 -2.23 1.53 0.00 -1.08 -3.40 119.26 115.09 1gwi h ALA 86 Ca -0.14 -0.98 -0.58 0.00 0.00 0.00 0.00 54.91 53.20 1gwi h ALA 86 Cb 1.90 0.13 -0.42 0.00 0.00 0.00 0.00 17.79 19.41 1gwi h ALA 86 CO 0.13 1.04 -0.68 -1.71 0.00 0.00 0.00 179.25 178.03 1gwi n ASN 87 N -3.50 3.87 -4.81 0.00 5.15 0.74 -4.82 115.26 111.90 1gwi n ASN 87 Ca -0.12 -3.53 -0.29 0.00 -0.60 0.00 0.00 54.58 50.04 1gwi n ASN 87 Cb 1.04 -0.60 0.13 0.00 -0.53 0.00 0.00 39.78 39.81 1gwi n ASN 87 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1gwi s PRO 88 N -3.02 1.29 1.09 1.20 0.02 -1.23 -4.82 135.00 129.53 1gwi s PRO 88 Ca 0.45 0.27 -0.16 0.00 0.02 0.00 0.00 61.00 61.58 1gwi s PRO 88 Cb 0.24 -1.86 0.24 0.00 0.02 0.00 0.00 34.50 33.14 1gwi s PRO 88 CO -0.10 -2.09 1.13 0.20 -0.33 0.00 0.00 177.00 175.81 1gwi s GLY 89 N -4.12 1.59 0.18 0.52 0.00 -1.26 -4.94 107.32 99.30 1gwi s GLY 89 Ca 0.63 -0.77 -0.31 0.00 0.00 0.00 0.00 44.72 44.28 1gwi s GLY 89 CO 0.53 -0.00 1.40 -1.60 0.00 0.00 0.00 173.10 173.42 1gwi s ARG 90 N -5.31 4.32 0.07 2.90 3.52 -1.26 -4.68 118.95 118.50 1gwi s ARG 90 Ca 0.69 2.15 -0.26 0.00 -0.13 0.00 0.00 55.73 58.18 1gwi s ARG 90 Cb -0.12 -3.19 0.09 0.00 -1.56 0.00 0.00 34.95 30.17 1gwi s ARG 90 CO 0.56 -0.40 1.17 -1.54 -0.81 0.00 0.00 175.30 174.28 1gwi s SER 91 N 0.70 -0.03 0.62 -2.12 1.04 -1.26 -4.85 113.70 107.80 1gwi s SER 91 Ca 0.62 -0.38 0.39 0.00 0.48 0.00 0.00 55.95 57.06 1gwi s SER 91 Cb -0.39 0.31 2.11 0.00 0.10 0.00 0.00 66.02 68.15 1gwi s SER 91 CO 0.36 -0.60 2.18 0.00 0.98 0.00 0.00 173.24 176.16 1gwi h MET 92 N 2.00 0.00 -0.08 4.02 -0.00 -1.93 -1.06 114.93 117.88 1gwi h MET 92 Ca -0.26 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.31 1gwi h MET 92 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.79 1gwi h MET 92 CO 0.32 0.00 -0.51 1.25 -0.00 0.00 0.00 176.91 177.96 1gwi h LEU 93 N 0.00 0.23 -3.05 -0.10 5.85 -1.94 -3.30 115.31 113.00 1gwi h LEU 93 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1gwi h LEU 93 Cb 0.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1gwi h LEU 93 CO 0.00 0.71 0.00 0.35 -0.34 0.00 0.00 178.44 179.16 1gwi n THR 94 N -3.94 1.61 -4.43 1.05 -2.24 -0.40 -4.91 114.28 101.03 1gwi n THR 94 Ca -0.02 -1.22 -0.21 0.00 -2.27 0.00 0.00 64.05 60.33 1gwi n THR 94 Cb 0.55 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.68 1.73 0.30 2.28 -7.23 -1.22 -4.32 120.40 110.27 1gwi s VAL 95 Ca 0.44 -2.16 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 1gwi s VAL 95 Cb 0.28 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 1gwi s VAL 95 CO 0.22 -0.34 0.30 0.47 -0.31 0.00 0.00 175.10 175.45 1gwi n ASP 96 N -0.57 -0.79 0.00 4.85 9.92 -1.26 -4.75 116.55 123.95 1gwi n ASP 96 Ca -0.06 -2.90 0.00 0.00 -0.53 0.00 0.00 54.79 51.30 1gwi n ASP 96 Cb 0.63 1.71 0.00 0.00 -0.64 0.00 0.00 41.12 42.82 1gwi n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1gwi n GLY 97 N -0.56 1.24 0.28 0.44 0.00 -1.26 -3.09 105.19 102.25 1gwi n GLY 97 Ca 0.05 -0.58 0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.98 1.08 0.00 4.61 0.00 -2.00 -1.11 119.26 120.87 1gwi h ALA 98 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1gwi h ALA 98 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1gwi h ALA 98 CO 0.00 -0.13 -0.24 1.05 0.00 0.00 0.00 179.25 179.94 1gwi h GLU 99 N 0.54 0.00 0.03 0.00 4.11 -1.99 -2.11 114.58 115.16 1gwi h GLU 99 Ca 0.40 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.67 1gwi h GLU 99 Cb 0.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.81 1gwi h GLU 99 CO -0.35 0.24 -0.66 1.25 0.07 0.00 0.00 179.01 179.55 1gwi h HIS 100 N 0.00 0.60 -0.80 2.06 2.76 -1.18 -3.07 115.15 115.52 1gwi h HIS 100 Ca -0.00 -0.35 0.05 0.00 -2.20 0.00 0.00 60.37 57.86 1gwi h HIS 100 Cb 0.59 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.44 1gwi h HIS 100 CO 0.00 1.19 0.53 0.00 -1.30 0.00 0.00 177.93 178.35 1gwi h ARG 101 N -0.16 0.90 -0.05 5.26 3.08 -1.05 -0.91 114.38 121.46 1gwi h ARG 101 Ca -0.09 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1gwi h ARG 101 Cb 1.40 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1gwi h ARG 101 CO 0.13 0.60 0.03 -0.09 -1.07 0.00 0.00 179.97 179.57 1gwi h ARG 102 N 0.93 0.07 -0.20 0.04 2.43 -1.42 0.25 114.38 116.48 1gwi h ARG 102 Ca 0.33 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1gwi h ARG 102 Cb 0.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1gwi h ARG 102 CO -0.11 0.13 0.11 -0.07 -1.51 0.00 0.00 179.97 178.52 1gwi h LEU 103 N -0.00 0.26 -0.79 3.80 3.38 -1.31 -1.58 115.31 119.06 1gwi h LEU 103 Ca 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1gwi h LEU 103 Cb 0.08 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1gwi h LEU 103 CO -0.00 0.28 0.45 0.03 0.09 0.00 0.00 178.44 179.28 1gwi h ARG 104 N 0.22 1.10 -0.48 1.13 2.47 -1.10 0.16 114.38 117.88 1gwi h ARG 104 Ca 0.07 -0.12 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1gwi h ARG 104 Cb 0.08 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.15 1gwi h ARG 104 CO -0.01 0.80 0.32 1.15 0.56 0.00 0.00 179.97 182.78 1gwi h THR 105 N 1.09 1.11 -0.28 2.04 2.02 -0.71 0.14 112.91 118.32 1gwi h THR 105 Ca 0.28 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 67.11 1gwi h THR 105 Cb 0.01 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1gwi h THR 105 CO -0.05 0.12 -0.33 -0.07 0.37 0.00 0.00 175.52 175.56 1gwi h LEU 106 N 0.65 0.79 -1.01 2.58 3.38 -0.90 -3.09 115.31 117.70 1gwi h LEU 106 Ca 0.18 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1gwi h LEU 106 Cb -0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1gwi h LEU 106 CO -0.04 1.12 -0.11 0.58 0.09 0.00 0.00 178.44 180.07 1gwi h VAL 107 N 0.47 1.24 0.00 1.22 2.07 -0.49 -2.49 116.25 118.28 1gwi h VAL 107 Ca 0.04 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1gwi h VAL 107 Cb 0.92 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1gwi h VAL 107 CO 0.08 0.35 -0.06 0.00 0.02 0.00 0.00 177.57 177.96 1gwi h ALA 108 N 1.34 1.61 0.00 1.67 0.00 -0.66 -0.22 119.26 123.00 1gwi h ALA 108 Ca 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1gwi h ALA 108 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1gwi h ALA 108 CO 0.03 0.08 -0.39 1.96 0.00 0.00 0.00 179.25 180.93 1gwi h GLN 109 N 0.00 0.00 0.00 0.00 4.20 -1.37 -3.35 115.11 114.59 1gwi h GLN 109 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1gwi h GLN 109 Cb 0.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1gwi h GLN 109 CO 0.01 0.39 -0.61 0.00 -0.67 0.00 0.00 178.83 177.95 1gwi n ALA 110 N -2.29 0.49 -2.74 3.87 0.00 -0.26 -4.59 120.51 114.99 1gwi n ALA 110 Ca -0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 1gwi n ALA 110 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1gwi n ALA 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1gwi n LEU 111 N -4.59 5.58 -4.93 0.00 7.94 -0.26 -4.85 117.00 115.90 1gwi n LEU 111 Ca -0.11 -4.45 -0.25 0.00 -1.11 0.00 0.00 56.01 50.10 1gwi n LEU 111 Cb 0.32 -1.60 -0.00 0.00 0.53 0.00 0.00 43.42 42.67 1gwi n LEU 111 CO 0.12 0.84 0.31 0.42 -1.11 0.00 0.00 177.39 177.97 1gwi s THR 112 N 1.56 4.77 0.34 1.96 -4.23 -1.26 -4.77 115.64 114.02 1gwi s THR 112 Ca 0.43 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.77 1gwi s THR 112 Cb 0.01 -3.78 0.20 0.00 1.34 0.00 0.00 72.50 70.28 1gwi s THR 112 CO 0.01 -0.62 1.93 0.58 -0.54 0.00 0.00 174.62 175.97 1gwi h VAL 113 N 0.45 1.18 -0.31 2.29 2.07 -1.93 -2.01 116.25 117.99 1gwi h VAL 113 Ca -0.48 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.48 1gwi h VAL 113 Cb 1.22 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1gwi h VAL 113 CO 0.61 0.22 0.18 -0.09 0.02 0.00 0.00 177.57 178.51 1gwi h ARG 114 N 0.65 0.36 -0.90 1.57 2.43 -1.97 0.54 114.38 117.06 1gwi h ARG 114 Ca 0.16 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1gwi h ARG 114 Cb 0.16 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1gwi h ARG 114 CO -0.01 0.24 0.58 -0.09 -1.51 0.00 0.00 179.97 179.18 1gwi h ARG 115 N 0.37 1.19 -0.45 0.20 2.43 -1.71 -0.14 114.38 116.27 1gwi h ARG 115 Ca 0.12 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1gwi h ARG 115 Cb -0.00 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 1gwi h ARG 115 CO -0.05 0.80 0.05 0.28 -1.51 0.00 0.00 179.97 179.53 1gwi h VAL 116 N 1.22 1.25 -0.64 0.20 2.07 -0.96 -2.50 116.25 116.89 1gwi h VAL 116 Ca 0.33 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1gwi h VAL 116 Cb -0.12 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1gwi h VAL 116 CO -0.07 0.33 0.41 -0.33 0.02 0.00 0.00 177.57 177.93 1gwi h GLU 117 N 0.62 0.80 0.00 1.57 4.39 -0.33 -0.74 114.58 120.89 1gwi h GLU 117 Ca 0.13 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1gwi h GLU 117 Cb 0.42 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1gwi h GLU 117 CO 0.01 0.53 0.00 0.72 -1.16 0.00 0.00 179.01 179.11 1gwi n HIS 118 N -4.67 0.00 0.58 4.33 8.25 -0.12 -2.00 115.22 121.59 1gwi n HIS 118 Ca 0.06 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 1gwi n HIS 118 Cb 0.05 -0.35 0.07 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.35 0.28 -0.24 -0.41 2.81 -0.29 -4.44 117.12 113.49 1gwi n MET 119 Ca 0.06 0.02 0.02 0.00 -1.81 0.00 0.00 57.70 55.99 1gwi n MET 119 Cb 0.12 -1.62 0.10 0.00 -0.71 0.00 0.00 33.22 31.11 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 0.04 -0.42 0.03 2.43 -1.33 -0.06 114.38 115.06 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 0.73 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1gwi h ARG 120 CO 0.00 0.02 0.22 0.78 -1.51 0.00 0.00 179.97 179.49 1gwi h GLY 121 N 0.04 0.58 1.08 2.80 0.00 -1.81 -0.88 103.07 104.87 1gwi h GLY 121 Ca 0.35 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1gwi h GLY 121 CO -0.67 0.12 0.19 -0.09 0.00 0.00 0.00 176.54 176.08 1gwi h ARG 122 N 0.45 1.14 -0.73 4.80 9.65 -1.60 -2.14 114.38 125.95 1gwi h ARG 122 Ca 0.18 -0.27 -0.04 0.00 -1.10 0.00 0.00 59.98 58.75 1gwi h ARG 122 Cb 0.07 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 1gwi h ARG 122 CO -0.11 1.00 0.29 0.82 2.80 0.00 0.00 179.97 184.76 1gwi h ILE 123 N 1.08 1.25 -0.81 1.20 2.04 -0.62 -1.07 117.51 120.58 1gwi h ILE 123 Ca 0.23 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1gwi h ILE 123 Cb 0.36 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1gwi h ILE 123 CO 0.00 0.32 0.43 0.74 0.00 0.00 0.00 178.15 179.63 1gwi h THR 124 N 1.06 1.24 -0.15 -0.27 2.02 -0.72 -0.75 112.91 115.36 1gwi h THR 124 Ca 0.25 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1gwi h THR 124 Cb 0.21 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1gwi h THR 124 CO -0.02 0.28 -0.01 -0.33 0.37 0.00 0.00 175.52 175.81 1gwi h GLU 125 N 1.13 0.26 -0.87 6.66 5.08 -0.86 0.04 114.58 126.04 1gwi h GLU 125 Ca 0.28 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1gwi h GLU 125 Cb 0.06 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1gwi h GLU 125 CO -0.04 0.51 0.48 -0.07 -1.00 0.00 0.00 179.01 178.89 1gwi h LEU 126 N -0.01 1.07 -0.28 1.33 3.38 -1.06 -0.36 115.31 119.39 1gwi h LEU 126 Ca 0.04 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1gwi h LEU 126 Cb 0.39 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1gwi h LEU 126 CO 0.01 0.85 -0.04 0.74 0.09 0.00 0.00 178.44 180.10 1gwi h THR 127 N 1.21 1.27 -0.26 0.22 2.02 -1.04 -2.17 112.91 114.16 1gwi h THR 127 Ca 0.31 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.50 1gwi h THR 127 Cb 0.01 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1gwi h THR 127 CO -0.05 0.33 0.06 -0.78 0.37 0.00 0.00 175.52 175.44 1gwi h ASP 128 N 0.30 0.03 -0.86 4.18 -0.00 -0.51 -0.82 116.42 118.74 1gwi h ASP 128 Ca 0.08 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.15 1gwi h ASP 128 Cb 0.49 0.05 -0.04 0.00 -0.00 0.00 0.00 39.33 39.83 1gwi h ASP 128 CO 0.02 0.05 0.55 0.03 -0.00 0.00 0.00 179.24 179.89 1gwi h ARG 129 N 0.16 1.14 -0.55 0.28 3.08 -1.00 -0.70 114.38 116.79 1gwi h ARG 129 Ca 0.12 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1gwi h ARG 129 Cb 0.11 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1gwi h ARG 129 CO -0.15 0.77 0.04 -0.07 -1.07 0.00 0.00 179.97 179.49 1gwi h LEU 130 N 1.17 0.91 -1.14 3.04 3.38 -0.97 -2.65 115.31 119.06 1gwi h LEU 130 Ca 0.31 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1gwi h LEU 130 Cb -0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1gwi h LEU 130 CO -0.06 0.98 -0.11 -0.07 0.09 0.00 0.00 178.44 179.26 1gwi h LEU 131 N 0.82 0.45 -1.85 1.67 3.38 -0.76 -2.30 115.31 116.73 1gwi h LEU 131 Ca 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1gwi h LEU 131 Cb 0.49 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1gwi h LEU 131 CO 0.02 0.60 -0.04 0.44 0.09 0.00 0.00 178.44 179.55 1gwi h ASP 132 N 0.44 0.03 0.91 -0.43 3.32 -0.78 -1.04 116.42 118.88 1gwi h ASP 132 Ca 0.08 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1gwi h ASP 132 Cb 0.46 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1gwi h ASP 132 CO 0.03 0.09 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.14 1gwi h GLU 133 N 0.04 0.00 -6.45 3.56 4.39 -1.22 -3.44 114.58 111.46 1gwi h GLU 133 Ca 0.01 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.18 1gwi h GLU 133 Cb 0.10 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1gwi h GLU 133 CO 0.01 0.16 0.18 -0.51 -1.16 0.00 0.00 179.01 177.69 1gwi s LEU 134 N -6.66 4.54 0.34 1.33 1.43 -0.40 -5.07 118.68 114.20 1gwi s LEU 134 Ca 0.00 1.58 -0.10 0.00 -1.03 0.00 0.00 54.13 54.59 1gwi s LEU 134 Cb 0.10 -3.29 -0.07 0.00 0.03 0.00 0.00 46.19 42.96 1gwi s LEU 134 CO 0.61 0.13 0.69 -2.84 0.23 0.00 0.00 176.35 175.17 1gwi s PRO 135 N -0.70 3.81 -0.14 1.29 0.02 -1.26 -4.96 135.00 133.06 1gwi s PRO 135 Ca 0.37 0.41 0.04 0.00 0.02 0.00 0.00 61.00 61.84 1gwi s PRO 135 Cb -0.22 -2.48 0.31 0.00 0.02 0.00 0.00 34.50 32.13 1gwi s PRO 135 CO 0.25 0.10 1.18 0.00 -0.33 0.00 0.00 177.00 178.20 1gwi n ALA 136 N -0.87 3.39 -1.05 -1.55 0.00 -1.26 -4.90 120.51 114.27 1gwi n ALA 136 Ca 0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 53.44 52.20 1gwi n ALA 136 Cb 0.54 -1.11 0.16 0.00 0.00 0.00 0.00 19.45 19.03 1gwi n ALA 136 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1gwi s ASP 137 N -0.14 3.02 -0.06 0.00 3.84 -1.26 -4.53 116.67 117.54 1gwi s ASP 137 Ca 0.23 1.56 0.16 0.00 -0.00 0.00 0.00 52.55 54.50 1gwi s ASP 137 Cb 0.18 -2.23 0.57 0.00 -1.38 0.00 0.00 42.92 40.07 1gwi s ASP 137 CO 0.06 -2.94 1.46 0.61 -0.00 0.00 0.00 175.17 174.36 1gwi n GLY 138 N -0.69 2.07 3.01 2.12 0.00 -1.26 -3.45 105.19 106.98 1gwi n GLY 138 Ca 0.07 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 1.18 -1.61 3.61 -0.02 0.00 -1.26 -4.89 105.19 102.20 1gwi n GLY 139 Ca 0.21 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.19 4.76 0.01 1.61 1.01 -1.26 -4.30 120.40 119.03 1gwi s VAL 140 Ca 0.59 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.58 1gwi s VAL 140 Cb -0.02 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1gwi s VAL 140 CO 0.42 0.44 -0.16 0.54 0.00 0.00 0.00 175.10 176.34 1gwi s VAL 141 N 0.55 1.30 -0.83 2.92 0.11 -0.62 -4.95 120.40 118.87 1gwi s VAL 141 Ca 0.03 -0.84 -0.24 0.00 -2.93 0.00 0.00 61.98 58.01 1gwi s VAL 141 Cb -0.13 -1.11 0.06 0.00 -1.53 0.00 0.00 36.38 33.67 1gwi s VAL 141 CO 0.01 0.25 1.24 -0.62 -3.33 0.00 0.00 175.10 172.65 1gwi s ASP 142 N -0.68 6.34 0.61 3.54 3.68 -1.26 -1.49 116.67 127.40 1gwi s ASP 142 Ca 0.05 -1.11 0.35 0.00 2.13 0.00 0.00 52.55 53.97 1gwi s ASP 142 Cb -0.07 -2.51 1.97 0.00 -1.45 0.00 0.00 42.92 40.86 1gwi s ASP 142 CO 0.00 -1.53 2.26 0.25 0.13 0.00 0.00 175.17 176.28 1gwi h LEU 143 N 12.19 0.00 0.47 -1.34 5.85 -1.50 -2.19 115.31 128.78 1gwi h LEU 143 Ca -0.07 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1gwi h LEU 143 Cb 1.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1gwi h LEU 143 CO 1.28 0.02 -0.23 0.50 -0.34 0.00 0.00 178.44 179.67 1gwi h LYS 144 N 0.00 -0.61 -0.73 1.25 3.64 -1.89 -0.81 116.57 117.41 1gwi h LYS 144 Ca -0.00 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1gwi h LYS 144 Cb 0.07 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1gwi h LYS 144 CO 0.00 -0.31 0.40 0.00 -2.27 0.00 0.00 179.45 177.27 1gwi h ALA 145 N -0.74 1.32 0.00 5.00 0.00 -1.89 0.30 119.26 123.26 1gwi h ALA 145 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1gwi h ALA 145 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1gwi h ALA 145 CO 0.11 0.55 -0.33 0.00 0.00 0.00 0.00 179.25 179.58 1gwi h ALA 146 N 1.42 0.84 0.00 0.00 0.00 -1.44 -3.40 119.26 116.67 1gwi h ALA 146 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1gwi h ALA 146 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1gwi h ALA 146 CO -0.04 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.55 1gwi n PHE 147 N -2.93 -1.88 -0.26 0.00 7.35 -0.36 -4.86 117.46 114.52 1gwi n PHE 147 Ca 0.03 0.33 -0.01 0.00 -0.76 0.00 0.00 57.45 57.04 1gwi n PHE 147 Cb 0.53 0.48 0.11 0.00 0.35 0.00 0.00 39.48 40.95 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 0.99 0.17 3.13 0.00 -1.20 -3.07 119.26 119.29 1gwi h ALA 148 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gwi h ALA 148 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1gwi h ALA 148 CO 0.00 0.15 -0.08 -0.92 0.00 0.00 0.00 179.25 178.40 1gwi h TYR 149 N 0.81 -0.21 -0.41 0.00 3.20 -0.65 -3.34 116.97 116.36 1gwi h TYR 149 Ca 0.32 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.12 1gwi h TYR 149 Cb 0.15 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1gwi h TYR 149 CO -0.06 0.14 -0.02 -1.35 -1.64 0.00 0.00 178.16 175.23 1gwi h PRO 150 N -0.60 0.68 -0.11 1.82 0.11 -1.77 -3.35 132.00 128.77 1gwi h PRO 150 Ca -0.02 -0.18 0.04 0.00 0.11 0.00 0.00 66.00 65.95 1gwi h PRO 150 Cb 0.45 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.41 1gwi h PRO 150 CO 0.04 0.71 -0.44 1.25 -0.21 0.00 0.00 178.00 179.35 1gwi h LEU 151 N 0.64 -1.39 -1.91 2.35 5.85 -1.66 -1.56 115.31 117.63 1gwi h LEU 151 Ca 0.13 0.18 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1gwi h LEU 151 Cb 0.43 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1gwi h LEU 151 CO 0.02 -0.44 0.08 -0.65 -0.34 0.00 0.00 178.44 177.10 1gwi h PRO 152 N -0.52 0.12 -0.11 5.25 0.11 -1.73 -0.01 132.00 135.10 1gwi h PRO 152 Ca 0.06 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 1gwi h PRO 152 Cb 0.64 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 1gwi h PRO 152 CO -0.40 0.08 -0.14 1.98 -0.21 0.00 0.00 178.00 179.31 1gwi h MET 153 N 0.12 0.29 -0.78 1.05 1.85 -1.60 -0.63 114.93 115.23 1gwi h MET 153 Ca 0.05 -0.17 -0.02 0.00 -0.61 0.00 0.00 59.70 58.94 1gwi h MET 153 Cb 0.04 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.04 1gwi h MET 153 CO -0.01 0.73 0.39 1.88 -0.40 0.00 0.00 176.91 179.50 1gwi h TYR 154 N -0.12 1.10 0.07 1.39 0.99 -0.78 -1.47 116.97 118.15 1gwi h TYR 154 Ca 0.01 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 1gwi h TYR 154 Cb 0.69 -0.35 0.00 0.00 1.00 0.00 0.00 36.73 38.07 1gwi h TYR 154 CO 0.09 0.80 -0.03 0.28 -0.00 0.00 0.00 178.16 179.30 1gwi h VAL 155 N 1.09 1.11 -0.50 -2.88 2.07 -0.97 -1.98 116.25 114.19 1gwi h VAL 155 Ca 0.27 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1gwi h VAL 155 Cb 0.09 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1gwi h VAL 155 CO -0.04 0.15 0.18 1.62 0.02 0.00 0.00 177.57 179.51 1gwi h VAL 156 N -0.37 1.19 -0.37 2.57 3.04 -1.04 0.16 116.25 121.43 1gwi h VAL 156 Ca -0.01 -0.61 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 1gwi h VAL 156 Cb 0.32 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 1gwi h VAL 156 CO 0.01 0.24 0.03 0.00 -1.01 0.00 0.00 177.57 176.84 1gwi h ALA 157 N 1.49 0.50 -0.38 3.17 0.00 -1.23 0.06 119.26 122.87 1gwi h ALA 157 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1gwi h ALA 157 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1gwi h ALA 157 CO -0.01 0.24 0.14 0.22 0.00 0.00 0.00 179.25 179.83 1gwi h ASP 158 N 0.47 0.54 -0.12 0.00 3.58 -0.88 -0.03 116.42 119.99 1gwi h ASP 158 Ca 0.11 -0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.40 1gwi h ASP 158 Cb 0.41 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 1gwi h ASP 158 CO 0.01 0.59 -0.04 0.25 -2.88 0.00 0.00 179.24 177.17 1gwi h LEU 159 N 0.47 -0.15 0.00 2.28 5.85 -0.48 -2.59 115.31 120.70 1gwi h LEU 159 Ca 0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1gwi h LEU 159 Cb 0.23 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1gwi h LEU 159 CO -0.01 -0.06 0.00 0.23 -0.34 0.00 0.00 178.44 178.27 1gwi n MET 160 N -5.17 0.38 -1.57 1.25 2.81 -0.01 -0.85 117.12 113.96 1gwi n MET 160 Ca -0.04 0.04 -0.05 0.00 -1.81 0.00 0.00 57.70 55.83 1gwi n MET 160 Cb 0.10 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.96 0.51 3.73 3.03 0.00 -0.42 -3.87 105.19 109.13 1gwi n GLY 161 Ca 0.13 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.22 3.96 0.20 -0.61 1.01 -0.16 -4.96 121.20 118.42 1gwi s ILE 162 Ca 0.00 1.66 -0.33 0.00 0.00 0.00 0.00 60.65 61.99 1gwi s ILE 162 Cb 0.00 -4.06 -0.14 0.00 0.01 0.00 0.00 42.46 38.27 1gwi s ILE 162 CO 0.00 0.27 1.48 -0.62 0.00 0.00 0.00 174.94 176.07 1gwi n GLU 163 N 2.54 2.06 0.10 2.79 1.02 -1.26 -4.67 120.64 123.21 1gwi n GLU 163 Ca 0.03 0.74 0.16 0.00 -0.02 0.00 0.00 57.16 58.07 1gwi n GLU 163 Cb 0.47 -2.44 0.70 0.00 -0.02 0.00 0.00 31.44 30.14 1gwi n GLU 163 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1gwi h GLU 164 N 4.97 0.00 0.00 3.49 -0.00 -1.95 -0.88 114.58 120.21 1gwi h GLU 164 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.90 1gwi h GLU 164 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.02 1gwi h GLU 164 CO 0.81 0.00 -0.04 0.00 -0.00 0.00 0.00 179.01 179.78 1gwi h ALA 165 N 1.81 1.12 0.00 1.06 0.00 -2.04 -2.30 119.26 118.92 1gwi h ALA 165 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1gwi h ALA 165 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1gwi h ALA 165 CO -0.00 0.05 -0.12 0.54 0.00 0.00 0.00 179.25 179.72 1gwi n ARG 166 N -3.31 0.19 -0.24 0.00 5.12 -0.33 -4.22 116.66 113.86 1gwi n ARG 166 Ca -0.02 0.13 0.04 0.00 -1.93 0.00 0.00 57.85 56.07 1gwi n ARG 166 Cb 0.19 -1.70 0.16 0.00 -1.16 0.00 0.00 32.46 29.96 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 0.00 0.15 -0.40 0.55 3.38 -1.53 0.15 115.31 117.62 1gwi h LEU 167 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1gwi h LEU 167 Cb 0.67 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1gwi h LEU 167 CO 0.00 0.05 0.26 -0.65 0.09 0.00 0.00 178.44 178.19 1gwi h PRO 168 N 0.36 0.52 -0.48 1.13 0.11 -1.81 -0.47 132.00 131.37 1gwi h PRO 168 Ca 0.38 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.34 1gwi h PRO 168 Cb 0.58 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1gwi h PRO 168 CO -0.42 0.35 -0.15 -0.09 -0.21 0.00 0.00 178.00 177.48 1gwi h ARG 169 N 0.54 0.92 -0.96 1.05 9.65 -1.71 -2.24 114.38 121.62 1gwi h ARG 169 Ca 0.15 -0.35 0.02 0.00 -1.10 0.00 0.00 59.98 58.70 1gwi h ARG 169 Cb -0.06 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.41 1gwi h ARG 169 CO -0.03 1.00 0.63 1.25 2.80 0.00 0.00 179.97 185.62 1gwi h LEU 170 N 0.81 1.07 -0.65 3.80 5.85 -0.35 0.09 115.31 125.93 1gwi h LEU 170 Ca 0.12 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1gwi h LEU 170 Cb 0.69 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1gwi h LEU 170 CO 0.05 0.75 -0.10 0.50 -0.34 0.00 0.00 178.44 179.31 1gwi h LYS 171 N 1.25 0.95 -0.47 1.25 3.64 -0.81 -0.60 116.57 121.78 1gwi h LYS 171 Ca 0.37 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1gwi h LYS 171 Cb -0.07 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1gwi h LYS 171 CO -0.10 1.00 0.23 0.28 -2.27 0.00 0.00 179.45 178.59 1gwi h VAL 172 N 0.85 1.18 -0.55 2.00 2.07 -0.74 -1.48 116.25 119.60 1gwi h VAL 172 Ca 0.14 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1gwi h VAL 172 Cb 0.64 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1gwi h VAL 172 CO 0.04 0.20 0.25 -0.07 0.02 0.00 0.00 177.57 178.01 1gwi h LEU 173 N 0.62 0.73 -0.44 2.57 3.38 -0.73 -2.11 115.31 119.33 1gwi h LEU 173 Ca 0.16 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1gwi h LEU 173 Cb 0.10 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1gwi h LEU 173 CO -0.02 0.67 0.25 -0.26 0.09 0.00 0.00 178.44 179.16 1gwi h PHE 174 N 0.74 0.46 -0.40 1.13 0.04 -0.84 0.48 116.94 118.54 1gwi h PHE 174 Ca 0.19 0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.02 1gwi h PHE 174 Cb 0.14 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1gwi h PHE 174 CO -0.00 0.26 0.15 1.49 -0.60 0.00 0.00 178.31 179.60 1gwi h GLU 175 N 0.50 0.30 -0.39 1.51 4.22 -0.97 -0.70 114.58 119.04 1gwi h GLU 175 Ca 0.18 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.54 1gwi h GLU 175 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1gwi h GLU 175 CO -0.10 0.20 0.02 0.87 -2.18 0.00 0.00 179.01 177.82 1gwi h LYS 176 N 0.31 0.68 -0.38 1.92 1.57 -1.01 0.12 116.57 119.79 1gwi h LYS 176 Ca 0.18 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1gwi h LYS 176 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1gwi h LYS 176 CO -0.18 0.76 0.24 0.35 -0.57 0.00 0.00 179.45 180.05 1gwi h PHE 177 N 0.51 0.45 0.00 -1.35 3.57 -0.56 -3.08 116.94 116.48 1gwi h PHE 177 Ca 0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1gwi h PHE 177 Cb 0.44 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1gwi h PHE 177 CO 0.03 0.28 -0.48 1.19 -2.23 0.00 0.00 178.31 177.10 1gwi n PHE 178 N -4.84 0.34 -1.98 0.41 3.01 -0.30 -4.92 117.46 109.18 1gwi n PHE 178 Ca 0.00 0.10 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 1gwi n PHE 178 Cb 0.04 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 38.96 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 -3.71 6.62 0.05 4.37 0.15 0.03 -4.88 113.70 116.32 1gwi s SER 179 Ca 0.09 2.64 0.22 0.00 0.70 0.00 0.00 55.95 59.60 1gwi s SER 179 Cb 0.15 -2.61 0.90 0.00 -1.71 0.00 0.00 66.02 62.75 1gwi s SER 179 CO 0.69 -0.76 1.69 0.35 1.20 0.00 0.00 173.24 176.40 1gwi n THR 180 N 3.06 0.59 0.19 6.45 -2.24 -1.26 -2.94 114.28 118.13 1gwi n THR 180 Ca 0.10 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 62.10 1gwi n THR 180 Cb 0.39 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.66 0.54 -1.95 -0.78 6.02 -1.26 -4.92 117.38 113.37 1gwi n GLN 181 Ca 0.05 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.70 1gwi n GLN 181 Cb 0.26 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 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 -3.34 3.02 0.64 5.09 2.01 -1.15 -4.98 115.64 116.93 1gwi s THR 182 Ca 0.00 0.53 -0.18 0.00 0.31 0.00 0.00 61.69 62.35 1gwi s THR 182 Cb 0.11 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1gwi s THR 182 CO 0.79 0.01 1.25 -2.84 -0.69 0.00 0.00 174.62 173.13 1gwi s PRO 183 N 2.34 2.63 0.22 4.92 0.02 -1.26 -4.77 135.00 139.10 1gwi s PRO 183 Ca 0.72 1.92 -0.09 0.00 0.02 0.00 0.00 61.00 63.57 1gwi s PRO 183 Cb -0.40 -1.87 0.34 0.00 0.02 0.00 0.00 34.50 32.59 1gwi s PRO 183 CO 0.32 -1.49 1.67 -1.35 -0.33 0.00 0.00 177.00 175.81 1gwi h PRO 184 N 0.52 0.17 -0.44 5.54 0.11 -1.99 -1.12 132.00 134.79 1gwi h PRO 184 Ca -0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1gwi h PRO 184 Cb 1.31 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1gwi h PRO 184 CO 0.53 0.11 0.16 1.49 -0.21 0.00 0.00 178.00 180.08 1gwi h GLU 185 N 0.17 0.63 -0.08 1.05 4.81 -2.00 -1.61 114.58 117.55 1gwi h GLU 185 Ca 0.34 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.35 1gwi h GLU 185 Cb 0.56 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1gwi h GLU 185 CO -0.51 0.53 -0.56 1.49 -0.73 0.00 0.00 179.01 179.24 1gwi h GLU 186 N 0.62 0.25 -0.33 1.92 4.81 -1.59 -1.39 114.58 118.86 1gwi h GLU 186 Ca 0.15 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1gwi h GLU 186 Cb 0.16 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1gwi h GLU 186 CO -0.01 0.74 -0.10 0.28 -0.73 0.00 0.00 179.01 179.18 1gwi h VAL 187 N 0.19 1.28 -0.37 0.32 2.07 -0.68 -0.19 116.25 118.87 1gwi h VAL 187 Ca 0.00 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1gwi h VAL 187 Cb 1.04 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1gwi h VAL 187 CO 0.09 0.38 0.23 0.58 0.02 0.00 0.00 177.57 178.86 1gwi h VAL 188 N 0.42 1.12 -0.49 2.57 2.07 -1.14 -0.37 116.25 120.43 1gwi h VAL 188 Ca 0.08 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1gwi h VAL 188 Cb 0.61 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1gwi h VAL 188 CO 0.04 0.12 0.12 0.00 0.02 0.00 0.00 177.57 177.87 1gwi h ALA 189 N 1.10 1.30 -0.48 1.67 0.00 -1.12 -2.24 119.26 119.49 1gwi h ALA 189 Ca 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1gwi h ALA 189 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1gwi h ALA 189 CO -0.03 0.50 0.15 1.15 0.00 0.00 0.00 179.25 181.02 1gwi h THR 190 N 0.72 1.23 -0.74 0.00 2.02 -0.36 -2.32 112.91 113.45 1gwi h THR 190 Ca 0.16 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.62 1gwi h THR 190 Cb 0.26 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1gwi h THR 190 CO -0.00 0.28 0.49 -0.07 0.37 0.00 0.00 175.52 176.58 1gwi h LEU 191 N 0.64 0.76 -0.51 2.58 3.38 -0.59 -1.20 115.31 120.38 1gwi h LEU 191 Ca 0.15 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1gwi h LEU 191 Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1gwi h LEU 191 CO -0.00 0.52 -0.18 0.74 0.09 0.00 0.00 178.44 179.61 1gwi h THR 192 N 0.88 1.27 -0.08 0.22 2.02 -0.97 -1.08 112.91 115.18 1gwi h THR 192 Ca 0.30 -1.34 -0.09 0.00 0.77 0.00 0.00 66.41 66.05 1gwi h THR 192 Cb 0.09 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1gwi h THR 192 CO -0.09 0.47 -0.35 -0.08 0.37 0.00 0.00 175.52 175.84 1gwi h GLU 193 N 0.88 0.15 -0.39 6.66 4.81 -0.83 0.13 114.58 125.98 1gwi h GLU 193 Ca 0.12 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1gwi h GLU 193 Cb 0.75 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1gwi h GLU 193 CO 0.06 0.49 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.51 1gwi h LEU 194 N 0.13 0.82 -1.14 1.64 3.38 -0.95 -1.62 115.31 117.57 1gwi h LEU 194 Ca 0.02 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1gwi h LEU 194 Cb 0.68 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1gwi h LEU 194 CO 0.05 1.03 0.12 0.00 0.09 0.00 0.00 178.44 179.73 1gwi h ALA 195 N 1.03 1.31 -0.68 1.53 0.00 -0.33 -1.71 119.26 120.41 1gwi h ALA 195 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1gwi h ALA 195 Cb 0.77 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1gwi h ALA 195 CO 0.06 0.49 0.28 1.03 0.00 0.00 0.00 179.25 181.11 1gwi h SER 196 N 0.71 0.93 -0.46 0.00 0.87 -0.29 0.13 113.55 115.43 1gwi h SER 196 Ca 0.16 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1gwi h SER 196 Cb 0.26 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1gwi h SER 196 CO -0.00 0.84 -0.00 0.40 -0.53 0.00 0.00 176.83 177.53 1gwi h ILE 197 N 0.96 1.26 -0.58 2.23 2.04 -0.69 -1.35 117.51 121.37 1gwi h ILE 197 Ca 0.23 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.94 1gwi h ILE 197 Cb 0.20 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1gwi h ILE 197 CO -0.02 0.36 -0.01 0.24 0.00 0.00 0.00 178.15 178.73 1gwi h MET 198 N 0.66 1.04 -0.73 2.37 2.86 -1.07 -1.72 114.93 118.34 1gwi h MET 198 Ca 0.13 -0.34 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 1gwi h MET 198 Cb 0.50 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1gwi h MET 198 CO 0.02 1.03 0.21 1.15 1.06 0.00 0.00 176.91 180.38 1gwi h THR 199 N 0.93 1.26 -0.68 2.22 2.02 -0.60 -0.03 112.91 118.03 1gwi h THR 199 Ca 0.16 -0.94 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 1gwi h THR 199 Cb 0.56 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1gwi h THR 199 CO 0.03 0.37 0.16 0.44 0.37 0.00 0.00 175.52 176.88 1gwi h ASP 200 N 1.09 1.04 -0.29 4.18 5.19 -1.06 -1.12 116.42 125.45 1gwi h ASP 200 Ca 0.23 -0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1gwi h ASP 200 Cb 0.34 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1gwi h ASP 200 CO -0.00 1.00 0.11 0.74 -3.12 0.00 0.00 179.24 177.96 1gwi h THR 201 N 1.04 1.19 -0.70 0.35 2.02 -0.80 -0.95 112.91 115.06 1gwi h THR 201 Ca 0.21 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1gwi h THR 201 Cb 0.38 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 1gwi h THR 201 CO 0.00 0.20 0.46 0.58 0.37 0.00 0.00 175.52 177.13 1gwi h VAL 202 N 0.32 1.17 -0.67 3.16 2.07 -0.74 -0.96 116.25 120.60 1gwi h VAL 202 Ca 0.10 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1gwi h VAL 202 Cb 0.21 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1gwi h VAL 202 CO -0.01 0.17 0.41 0.00 0.02 0.00 0.00 177.57 178.17 1gwi h ALA 203 N 1.26 0.85 -0.66 1.67 0.00 -0.92 -1.37 119.26 120.09 1gwi h ALA 203 Ca 0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1gwi h ALA 203 Cb -0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1gwi h ALA 203 CO -0.06 0.31 0.17 0.00 0.00 0.00 0.00 179.25 179.66 1gwi h ALA 204 N 1.22 0.87 0.00 0.00 0.00 -0.64 -2.20 119.26 118.51 1gwi h ALA 204 Ca 0.24 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1gwi h ALA 204 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1gwi h ALA 204 CO -0.05 0.58 -0.48 0.87 0.00 0.00 0.00 179.25 180.17 1gwi h LYS 205 N 0.98 0.00 -0.02 0.00 1.79 -0.94 0.15 116.57 118.53 1gwi h LYS 205 Ca 0.21 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.51 1gwi h LYS 205 Cb 0.36 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1gwi h LYS 205 CO 0.00 0.48 -0.72 0.00 -1.08 0.00 0.00 179.45 178.13 1gwi h ARG 206 N 0.00 0.15 0.09 3.15 3.08 -1.08 -1.56 114.38 118.22 1gwi h ARG 206 Ca -0.00 -0.13 -0.26 0.00 0.07 0.00 0.00 59.98 59.66 1gwi h ARG 206 Cb 1.08 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1gwi h ARG 206 CO 0.06 0.81 -1.14 0.00 -1.07 0.00 0.00 179.97 178.63 1gwi h ALA 207 N 1.15 0.20 -2.15 0.04 0.00 -1.14 -3.41 119.26 113.93 1gwi h ALA 207 Ca -0.02 -0.83 -0.47 0.00 0.00 0.00 0.00 54.91 53.59 1gwi h ALA 207 Cb 1.28 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.72 1gwi h ALA 207 CO 0.11 0.94 -0.79 0.00 0.00 0.00 0.00 179.25 179.51 1gwi s ALA 208 N -2.84 0.28 0.30 0.00 0.00 0.52 -5.10 121.76 114.92 1gwi s ALA 208 Ca -0.04 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.06 1gwi s ALA 208 Cb 0.08 -1.86 -0.13 0.00 0.00 0.00 0.00 23.12 21.20 1gwi s ALA 208 CO 0.87 -2.10 1.28 -2.30 0.00 0.00 0.00 175.76 173.51 1gwi n PRO 209 N 3.72 1.95 -1.70 0.00 -0.02 -0.59 -4.40 135.00 133.96 1gwi n PRO 209 Ca 0.17 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1gwi n PRO 209 Cb 0.44 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 1.32 4.42 2.26 -1.23 0.00 -1.26 -5.05 105.19 105.65 1gwi n GLY 210 Ca 0.08 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 1gwi n GLY 210 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gwi n ASP 211 N -1.88 6.42 -4.93 1.61 8.00 -1.26 -4.73 116.55 119.77 1gwi n ASP 211 Ca 0.00 -3.74 -0.23 0.00 0.71 0.00 0.00 54.79 51.53 1gwi n ASP 211 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 1gwi n ASP 211 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1gwi s ASP 212 N -1.80 4.90 0.24 -2.24 -4.77 -1.26 -5.02 116.67 106.72 1gwi s ASP 212 Ca 0.62 -0.98 -0.01 0.00 -3.30 0.00 0.00 52.55 48.88 1gwi s ASP 212 Cb 0.49 0.07 0.27 0.00 -1.09 0.00 0.00 42.92 42.66 1gwi s ASP 212 CO 0.02 -1.02 1.65 0.25 0.70 0.00 0.00 175.17 176.77 1gwi h LEU 213 N 0.68 0.63 -0.43 2.11 5.85 -1.24 -2.31 115.31 120.60 1gwi h LEU 213 Ca -0.36 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.07 1gwi h LEU 213 Cb 1.29 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1gwi h LEU 213 CO 0.53 0.88 0.07 0.74 -0.34 0.00 0.00 178.44 180.32 1gwi h THR 214 N 0.53 1.24 -0.65 1.05 2.02 -1.78 0.84 112.91 116.17 1gwi h THR 214 Ca 0.07 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 1gwi h THR 214 Cb 0.76 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1gwi h THR 214 CO 0.06 0.31 0.24 0.28 0.37 0.00 0.00 175.52 176.78 1gwi h SER 215 N 0.57 0.88 -0.18 4.18 0.02 -1.84 -1.01 113.55 116.17 1gwi h SER 215 Ca 0.13 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1gwi h SER 215 Cb 0.38 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1gwi h SER 215 CO 0.01 0.81 -0.20 0.00 -1.14 0.00 0.00 176.83 176.31 1gwi h ALA 216 N 1.32 1.05 -0.24 3.77 0.00 -0.98 -1.11 119.26 123.07 1gwi h ALA 216 Ca 0.22 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1gwi h ALA 216 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1gwi h ALA 216 CO -0.02 0.58 -0.41 -0.07 0.00 0.00 0.00 179.25 179.33 1gwi h LEU 217 N 0.55 0.60 -0.42 0.00 3.38 -0.14 -1.46 115.31 117.82 1gwi h LEU 217 Ca 0.09 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1gwi h LEU 217 Cb 0.64 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1gwi h LEU 217 CO 0.05 0.95 -0.03 0.40 0.09 0.00 0.00 178.44 179.89 1gwi h ILE 218 N 0.46 1.27 0.00 1.22 2.04 -0.87 -3.13 117.51 118.51 1gwi h ILE 218 Ca 0.04 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1gwi h ILE 218 Cb 0.92 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1gwi h ILE 218 CO 0.08 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.60 1gwi n GLN 219 N -4.38 0.23 -1.72 2.37 6.02 -0.45 -4.78 117.38 114.67 1gwi n GLN 219 Ca -0.01 0.22 -0.42 0.00 -0.01 0.00 0.00 57.00 56.78 1gwi n GLN 219 Cb 0.32 -1.78 -0.00 0.00 1.02 0.00 0.00 30.24 29.79 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 -1.75 1.57 -3.58 -1.58 0.00 -0.56 -5.00 120.51 109.60 1gwi n ALA 220 Ca 0.05 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.70 1gwi n ALA 220 Cb 0.39 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.48 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 -0.26 -0.70 -0.44 0.00 1.04 -1.26 -4.28 113.70 107.79 1gwi s SER 221 Ca 0.55 1.19 0.03 0.00 0.48 0.00 0.00 55.95 58.19 1gwi s SER 221 Cb -0.55 1.15 0.13 0.00 0.10 0.00 0.00 66.02 66.85 1gwi s SER 221 CO 0.63 -0.36 0.21 -0.70 0.98 0.00 0.00 173.24 174.00 1gwi s GLU 222 N -0.13 1.49 -1.17 4.02 2.56 -0.21 -4.77 118.70 120.49 1gwi s GLU 222 Ca -0.04 -2.12 -0.03 0.00 0.00 0.00 0.00 54.97 52.78 1gwi s GLU 222 Cb -0.03 -2.73 0.00 0.00 2.00 0.00 0.00 34.13 33.37 1gwi s GLU 222 CO 0.04 -1.11 1.00 0.09 -0.56 0.00 0.00 175.26 174.72 1gwi n ASN 223 N 3.59 -3.62 0.00 -1.70 5.03 -1.26 -2.43 115.26 114.87 1gwi n ASN 223 Ca 0.06 -0.55 0.00 0.00 0.87 0.00 0.00 54.58 54.96 1gwi n ASN 223 Cb 0.35 -4.76 0.00 0.00 -1.02 0.00 0.00 39.78 34.35 1gwi n ASN 223 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gwi n GLY 224 N -1.43 2.75 3.70 7.41 0.00 -1.26 -5.03 105.19 111.33 1gwi n GLY 224 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.54 7.34 0.31 1.61 3.68 -1.02 -5.04 116.67 122.01 1gwi s ASP 225 Ca 0.00 1.63 0.09 0.00 2.13 0.00 0.00 52.55 56.40 1gwi s ASP 225 Cb 0.00 -2.57 -0.06 0.00 -1.45 0.00 0.00 42.92 38.84 1gwi s ASP 225 CO 0.00 -0.31 -0.11 -1.00 0.13 0.00 0.00 175.17 173.89 1gwi s HIS 226 N 1.27 2.24 0.35 -5.34 3.76 -1.26 -1.04 115.29 115.27 1gwi s HIS 226 Ca 0.51 -0.52 -0.25 0.00 -0.15 0.00 0.00 55.06 54.65 1gwi s HIS 226 Cb -0.20 -1.22 -0.10 0.00 1.11 0.00 0.00 32.58 32.17 1gwi s HIS 226 CO 0.25 0.52 0.95 -0.51 -0.85 0.00 0.00 174.74 175.11 1gwi s LEU 227 N -3.54 4.24 0.63 0.89 1.43 -1.26 -5.04 118.68 116.03 1gwi s LEU 227 Ca 0.31 1.82 -0.06 0.00 -1.03 0.00 0.00 54.13 55.18 1gwi s LEU 227 Cb 0.01 -4.14 0.03 0.00 0.03 0.00 0.00 46.19 42.13 1gwi s LEU 227 CO 0.15 -0.16 0.93 0.42 0.23 0.00 0.00 176.35 177.92 1gwi s THR 228 N -1.73 3.07 0.23 5.49 -4.23 -1.26 -4.86 115.64 112.34 1gwi s THR 228 Ca 0.53 -0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 60.82 1gwi s THR 228 Cb -0.17 -3.25 0.19 0.00 1.34 0.00 0.00 72.50 70.61 1gwi s THR 228 CO 0.22 -0.26 1.86 0.44 -0.54 0.00 0.00 174.62 176.34 1gwi h ASP 229 N -0.31 0.82 -0.69 3.99 3.32 -1.99 -0.11 116.42 121.45 1gwi h ASP 229 Ca -0.45 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.63 1gwi h ASP 229 Cb 1.28 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 1gwi h ASP 229 CO 0.60 0.55 0.44 0.00 -1.72 0.00 0.00 179.24 179.11 1gwi h ALA 230 N 1.36 0.89 -0.25 3.45 0.00 -1.99 0.99 119.26 123.72 1gwi h ALA 230 Ca 0.34 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1gwi h ALA 230 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1gwi h ALA 230 CO -0.14 0.23 -0.36 0.93 0.00 0.00 0.00 179.25 179.91 1gwi h GLU 231 N 0.87 0.55 -0.27 0.00 5.08 -1.73 -0.07 114.58 119.00 1gwi h GLU 231 Ca 0.27 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1gwi h GLU 231 Cb -0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1gwi h GLU 231 CO -0.09 0.83 -0.14 0.82 -1.00 0.00 0.00 179.01 179.43 1gwi h ILE 232 N 0.46 1.30 -0.38 3.13 2.04 -0.53 -1.41 117.51 122.12 1gwi h ILE 232 Ca 0.05 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1gwi h ILE 232 Cb 0.85 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1gwi h ILE 232 CO 0.07 0.39 0.14 0.58 0.00 0.00 0.00 178.15 179.33 1gwi h VAL 233 N 0.31 1.20 -0.18 1.67 2.07 -0.67 -1.19 116.25 119.47 1gwi h VAL 233 Ca 0.06 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1gwi h VAL 233 Cb 0.65 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1gwi h VAL 233 CO 0.04 0.23 -0.22 0.77 0.02 0.00 0.00 177.57 178.40 1gwi h SER 234 N 0.47 0.30 -0.02 0.57 4.64 -0.99 -1.38 113.55 117.14 1gwi h SER 234 Ca 0.13 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1gwi h SER 234 Cb 0.22 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1gwi h SER 234 CO -0.01 0.54 -0.00 0.74 -0.87 0.00 0.00 176.83 177.23 1gwi h THR 235 N 0.28 1.26 -0.64 2.95 2.02 -0.92 -0.38 112.91 117.48 1gwi h THR 235 Ca 0.05 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1gwi h THR 235 Cb 0.56 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1gwi h THR 235 CO 0.04 0.21 0.32 -0.07 0.37 0.00 0.00 175.52 176.39 1gwi h LEU 236 N -0.28 0.82 -0.34 2.58 3.38 -1.08 -0.38 115.31 120.01 1gwi h LEU 236 Ca 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1gwi h LEU 236 Cb 0.34 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1gwi h LEU 236 CO 0.00 0.71 0.16 -0.61 0.09 0.00 0.00 178.44 178.79 1gwi h GLN 237 N 0.88 0.50 -0.73 1.13 4.15 -1.24 -2.54 115.11 117.26 1gwi h GLN 237 Ca 0.22 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 1gwi h GLN 237 Cb 0.09 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1gwi h GLN 237 CO -0.03 0.47 0.22 1.25 -1.93 0.00 0.00 178.83 178.81 1gwi h LEU 238 N 0.42 1.07 -0.43 -2.39 5.85 -0.78 -2.53 115.31 116.52 1gwi h LEU 238 Ca 0.12 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1gwi h LEU 238 Cb 0.14 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1gwi h LEU 238 CO -0.01 1.00 0.27 0.24 -0.34 0.00 0.00 178.44 179.60 1gwi h MET 239 N 1.09 0.58 -0.52 1.25 2.86 -0.86 0.16 114.93 119.50 1gwi h MET 239 Ca 0.24 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 1gwi h MET 239 Cb 0.31 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1gwi h MET 239 CO -0.01 0.41 -0.13 -0.39 1.06 0.00 0.00 176.91 177.86 1gwi h VAL 240 N 0.58 1.27 -0.52 -2.22 -1.51 -1.39 0.66 116.25 113.12 1gwi h VAL 240 Ca 0.16 -1.27 -0.08 0.00 -1.23 0.00 0.00 66.70 64.28 1gwi h VAL 240 Cb -0.03 1.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.11 1gwi h VAL 240 CO -0.03 0.45 0.03 0.00 -1.23 0.00 0.00 177.57 176.78 1gwi h ALA 241 N 0.98 0.70 0.00 5.19 0.00 -1.18 -1.85 119.26 123.10 1gwi h ALA 241 Ca 0.13 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1gwi h ALA 241 Cb 0.68 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1gwi h ALA 241 CO 0.05 0.49 -0.49 0.00 0.00 0.00 0.00 179.25 179.30 1gwi h ALA 242 N 0.95 0.72 -0.01 0.00 0.00 -0.59 -3.39 119.26 116.96 1gwi h ALA 242 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1gwi h ALA 242 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1gwi h ALA 242 CO 0.02 0.52 -0.31 0.41 0.00 0.00 0.00 179.25 179.89 1gwi n GLY 243 N 1.21 -0.11 0.00 0.00 0.00 0.22 -4.51 105.19 102.00 1gwi n GLY 243 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1gwi n GLY 243 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1gwi n HIS 244 N -0.32 0.00 -0.06 1.61 -0.00 -0.70 -2.87 115.22 112.88 1gwi n HIS 244 Ca 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.86 1gwi n HIS 244 Cb 0.27 -0.24 0.47 0.00 -0.00 0.00 0.00 29.99 30.48 1gwi n HIS 244 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1gwi h GLU 245 N 0.00 0.46 -0.10 1.57 4.39 -1.84 -1.85 114.58 117.22 1gwi h GLU 245 Ca 0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1gwi h GLU 245 Cb 0.00 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1gwi h GLU 245 CO 0.00 0.31 0.04 1.79 -1.16 0.00 0.00 179.01 179.99 1gwi h THR 246 N 0.48 1.13 -0.77 1.13 1.35 -1.79 0.78 112.91 115.22 1gwi h THR 246 Ca 0.23 -0.39 -0.05 0.00 -0.55 0.00 0.00 66.41 65.65 1gwi h THR 246 Cb 0.31 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 1gwi h THR 246 CO -0.06 0.12 0.27 0.74 -0.25 0.00 0.00 175.52 176.34 1gwi h THR 247 N 0.02 1.26 -0.18 6.82 2.02 -1.31 -1.32 112.91 120.21 1gwi h THR 247 Ca 0.03 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 1gwi h THR 247 Cb 0.15 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1gwi h THR 247 CO -0.00 0.35 0.09 0.40 0.37 0.00 0.00 175.52 176.72 1gwi h ILE 248 N 1.13 1.13 0.00 3.11 2.04 -1.15 -2.45 117.51 121.31 1gwi h ILE 248 Ca 0.25 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1gwi h ILE 248 Cb 0.26 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1gwi h ILE 248 CO -0.01 0.12 -0.19 0.28 0.00 0.00 0.00 178.15 178.35 1gwi h SER 249 N 0.17 0.00 -0.17 1.72 0.02 -0.57 -0.24 113.55 114.48 1gwi h SER 249 Ca 0.06 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1gwi h SER 249 Cb 0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1gwi h SER 249 CO -0.01 0.19 0.01 0.25 -1.14 0.00 0.00 176.83 176.13 1gwi h LEU 250 N 0.00 0.28 -0.06 5.07 5.85 -0.93 0.26 115.31 125.79 1gwi h LEU 250 Ca -0.00 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1gwi h LEU 250 Cb 0.37 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1gwi h LEU 250 CO 0.02 0.51 0.03 0.40 -0.34 0.00 0.00 178.44 179.07 1gwi h ILE 251 N 0.05 1.10 -0.10 4.05 2.04 -0.98 -1.15 117.51 122.52 1gwi h ILE 251 Ca 0.05 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1gwi h ILE 251 Cb 0.36 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1gwi h ILE 251 CO 0.01 0.08 -0.09 0.58 0.00 0.00 0.00 178.15 178.73 1gwi h VAL 252 N -0.01 0.75 -0.32 1.67 2.07 -0.95 -2.23 116.25 117.23 1gwi h VAL 252 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1gwi h VAL 252 Cb 0.10 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1gwi h VAL 252 CO -0.00 0.00 0.12 0.78 0.02 0.00 0.00 177.57 178.49 1gwi h ASN 253 N -0.10 0.39 -0.50 0.57 2.35 -0.35 -1.52 115.58 116.42 1gwi h ASN 253 Ca 0.07 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1gwi h ASN 253 Cb 0.20 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1gwi h ASN 253 CO -0.16 0.36 0.01 0.00 -1.65 0.00 0.00 177.43 176.00 1gwi h ALA 254 N 1.70 0.67 -0.69 -0.83 0.00 -0.74 0.14 119.26 119.50 1gwi h ALA 254 Ca 0.11 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1gwi h ALA 254 Cb 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1gwi h ALA 254 CO -0.01 0.47 0.18 0.28 0.00 0.00 0.00 179.25 180.17 1gwi h VAL 255 N 0.73 1.26 -0.34 0.00 2.07 -0.83 -0.82 116.25 118.32 1gwi h VAL 255 Ca 0.14 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1gwi h VAL 255 Cb 0.50 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1gwi h VAL 255 CO 0.02 0.36 0.06 0.58 0.02 0.00 0.00 177.57 178.62 1gwi h VAL 256 N 1.04 1.23 -0.67 2.57 2.07 -1.03 -0.91 116.25 120.55 1gwi h VAL 256 Ca 0.22 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1gwi h VAL 256 Cb 0.35 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1gwi h VAL 256 CO -0.00 0.27 0.37 0.78 0.02 0.00 0.00 177.57 179.01 1gwi h ASN 257 N 0.40 0.84 -0.35 0.57 2.35 -0.72 0.17 115.58 118.84 1gwi h ASN 257 Ca 0.10 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.63 1gwi h ASN 257 Cb 0.34 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1gwi h ASN 257 CO 0.01 0.69 -0.28 -0.07 -1.65 0.00 0.00 177.43 176.12 1gwi h LEU 258 N 0.92 0.90 -1.13 1.61 3.38 -1.07 -2.15 115.31 117.77 1gwi h LEU 258 Ca 0.24 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1gwi h LEU 258 Cb 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1gwi h LEU 258 CO -0.04 1.12 -0.43 0.28 0.09 0.00 0.00 178.44 179.47 1gwi h SER 259 N 0.74 0.02 0.22 -0.43 0.02 -0.79 -2.84 113.55 110.48 1gwi h SER 259 Ca 0.09 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1gwi h SER 259 Cb 0.84 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1gwi h SER 259 CO 0.07 0.45 -0.24 0.35 -1.14 0.00 0.00 176.83 176.32 1gwi n THR 260 N -4.03 0.00 -3.26 -2.27 -2.24 0.02 -4.35 114.28 98.15 1gwi n THR 260 Ca -0.02 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 1gwi n THR 260 Cb 0.46 0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 69.02 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 -0.60 0.92 -0.28 4.78 8.25 -0.83 -4.99 115.22 122.48 1gwi n HIS 261 Ca 0.13 -3.75 0.08 0.00 -0.26 0.00 0.00 57.72 53.91 1gwi n HIS 261 Cb 0.35 -0.42 0.20 0.00 1.12 0.00 0.00 29.99 31.24 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 4.00 0.10 -0.63 -0.41 0.11 -1.75 0.18 132.00 133.60 1gwi h PRO 262 Ca 0.11 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.24 1gwi h PRO 262 Cb 0.81 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 1gwi h PRO 262 CO 0.58 0.07 0.40 1.49 -0.21 0.00 0.00 178.00 180.32 1gwi h GLU 263 N 0.10 0.76 -0.27 1.05 4.81 -1.94 0.11 114.58 119.21 1gwi h GLU 263 Ca 0.46 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1gwi h GLU 263 Cb 0.86 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1gwi h GLU 263 CO -0.71 0.51 0.11 0.37 -0.73 0.00 0.00 179.01 178.55 1gwi h GLN 264 N 0.79 0.41 -0.71 1.92 5.75 -1.38 -2.28 115.11 119.60 1gwi h GLN 264 Ca 0.25 -0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.74 1gwi h GLN 264 Cb -0.01 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.41 1gwi h GLN 264 CO -0.09 0.43 0.40 -0.09 -2.65 0.00 0.00 178.83 176.84 1gwi h ARG 265 N 0.29 0.70 -0.85 1.69 2.43 -0.53 -0.93 114.38 117.18 1gwi h ARG 265 Ca 0.09 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1gwi h ARG 265 Cb 0.18 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 1gwi h ARG 265 CO -0.01 0.46 0.56 0.00 -1.51 0.00 0.00 179.97 179.47 1gwi h ALA 266 N 1.37 1.56 -0.69 2.80 0.00 -0.42 -0.55 119.26 123.33 1gwi h ALA 266 Ca 0.32 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1gwi h ALA 266 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1gwi h ALA 266 CO -0.19 0.32 0.22 -0.07 0.00 0.00 0.00 179.25 179.52 1gwi h LEU 267 N 0.96 1.01 -0.16 0.00 3.38 -0.62 -1.30 115.31 118.58 1gwi h LEU 267 Ca 0.36 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1gwi h LEU 267 Cb 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1gwi h LEU 267 CO -0.13 0.95 -0.15 0.58 0.09 0.00 0.00 178.44 179.78 1gwi h VAL 268 N 1.02 1.34 -0.11 1.22 2.07 -0.78 0.23 116.25 121.24 1gwi h VAL 268 Ca 0.22 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1gwi h VAL 268 Cb 0.30 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1gwi h VAL 268 CO -0.01 0.38 -0.11 -0.07 0.02 0.00 0.00 177.57 177.78 1gwi h LEU 269 N 0.01 0.15 -0.33 2.57 3.38 -1.07 -1.98 115.31 118.04 1gwi h LEU 269 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gwi h LEU 269 Cb 0.68 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1gwi h LEU 269 CO 0.04 0.29 -0.19 -1.54 0.09 0.00 0.00 178.44 177.13 1gwi n SER 270 N -4.32 0.70 0.00 -0.43 3.41 -0.50 -4.93 113.62 107.55 1gwi n SER 270 Ca -0.01 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1gwi n SER 270 Cb 0.24 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 1.32 0.88 0.27 5.00 0.00 -0.75 -4.90 105.19 107.02 1gwi n GLY 271 Ca 0.13 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.31 1gwi n GLY 271 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gwi h GLU 272 N 3.63 0.00 -5.17 1.61 4.39 -0.84 -3.43 114.58 114.77 1gwi h GLU 272 Ca 0.00 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.31 1gwi h GLU 272 Cb 0.00 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 28.43 1gwi h GLU 272 CO 0.00 0.03 -0.77 0.00 -1.16 0.00 0.00 179.01 177.10 1gwi s ALA 273 N -3.69 1.04 0.22 3.43 0.00 -0.54 -4.95 121.76 117.28 1gwi s ALA 273 Ca 0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1gwi s ALA 273 Cb 0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.05 1gwi s ALA 273 CO 0.55 0.14 0.60 -1.21 0.00 0.00 0.00 175.76 175.84 1gwi s GLU 274 N -1.58 3.94 0.31 0.00 2.02 -1.26 -4.34 118.70 117.80 1gwi s GLU 274 Ca -0.03 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.45 1gwi s GLU 274 Cb -0.09 -2.72 0.49 0.00 0.10 0.00 0.00 34.13 31.90 1gwi s GLU 274 CO 0.02 0.34 1.88 -1.49 0.02 0.00 0.00 175.26 176.03 1gwi h TRP 275 N 2.90 0.80 -0.07 1.61 4.06 -1.97 -0.18 115.95 123.10 1gwi h TRP 275 Ca -0.48 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.42 1gwi h TRP 275 Cb 1.18 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 29.09 1gwi h TRP 275 CO 0.63 0.64 0.03 0.66 -3.56 0.00 0.00 178.44 176.84 1gwi h SER 276 N 0.78 0.09 0.56 -3.49 4.64 -1.93 0.13 113.55 114.32 1gwi h SER 276 Ca 0.18 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.39 1gwi h SER 276 Cb 0.19 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1gwi h SER 276 CO -0.01 0.08 -0.51 0.00 -0.87 0.00 0.00 176.83 175.51 1gwi h ALA 277 N 1.94 1.11 -0.25 5.18 0.00 -1.40 -0.15 119.26 125.68 1gwi h ALA 277 Ca 0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1gwi h ALA 277 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1gwi h ALA 277 CO -0.00 0.64 -0.09 0.28 0.00 0.00 0.00 179.25 180.08 1gwi h VAL 278 N 0.00 1.29 0.15 0.00 2.07 -0.43 -1.59 116.25 117.74 1gwi h VAL 278 Ca -0.01 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1gwi h VAL 278 Cb 0.93 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1gwi h VAL 278 CO 0.07 0.35 -0.07 0.58 0.02 0.00 0.00 177.57 178.52 1gwi h VAL 279 N 0.24 0.93 -0.67 2.57 2.07 -0.99 -1.26 116.25 119.14 1gwi h VAL 279 Ca 0.06 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1gwi h VAL 279 Cb 0.57 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1gwi h VAL 279 CO 0.03 0.08 0.35 -0.33 0.02 0.00 0.00 177.57 177.72 1gwi h GLU 280 N -0.35 0.95 -0.17 1.57 4.39 -1.06 -0.83 114.58 119.09 1gwi h GLU 280 Ca -0.02 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 1gwi h GLU 280 Cb 0.27 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1gwi h GLU 280 CO 0.03 0.73 -0.38 1.49 -1.16 0.00 0.00 179.01 179.73 1gwi h GLU 281 N 0.93 0.36 -0.29 2.33 4.57 -1.28 -1.81 114.58 119.39 1gwi h GLU 281 Ca 0.23 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 58.13 1gwi h GLU 281 Cb 0.07 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1gwi h GLU 281 CO -0.03 0.69 -0.30 1.15 -1.18 0.00 0.00 179.01 179.34 1gwi h THR 282 N 0.30 1.28 -0.34 0.32 2.02 -0.81 0.11 112.91 115.79 1gwi h THR 282 Ca 0.03 -1.40 -0.11 0.00 0.77 0.00 0.00 66.41 65.70 1gwi h THR 282 Cb 0.80 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1gwi h THR 282 CO 0.06 0.45 -0.26 -0.07 0.37 0.00 0.00 175.52 176.08 1gwi h LEU 283 N 0.51 0.69 0.04 2.58 3.38 -0.81 0.16 115.31 121.87 1gwi h LEU 283 Ca 0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1gwi h LEU 283 Cb 0.77 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1gwi h LEU 283 CO 0.06 0.92 -0.02 -0.09 0.09 0.00 0.00 178.44 179.40 1gwi h ARG 284 N 0.59 -0.06 -0.18 1.13 2.43 -1.10 -2.99 114.38 114.20 1gwi h ARG 284 Ca 0.08 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1gwi h ARG 284 Cb 0.75 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1gwi h ARG 284 CO 0.06 0.56 -0.42 0.35 -1.51 0.00 0.00 179.97 179.01 1gwi h PHE 285 N -0.92 0.51 -1.26 2.20 3.57 -0.86 -3.39 116.94 116.78 1gwi h PHE 285 Ca -0.01 -0.15 -0.40 0.00 3.53 0.00 0.00 57.97 60.95 1gwi h PHE 285 Cb 0.64 -0.11 -0.31 0.00 2.79 0.00 0.00 35.95 38.96 1gwi h PHE 285 CO 0.16 0.78 -0.91 -1.13 -2.23 0.00 0.00 178.31 174.98 1gwi n SER 286 N -4.02 -0.48 -4.76 0.41 3.41 0.56 -4.92 113.62 103.83 1gwi n SER 286 Ca -0.02 -3.19 -0.39 0.00 -0.26 0.00 0.00 58.87 55.01 1gwi n SER 286 Cb 0.51 0.31 0.03 0.00 -0.26 0.00 0.00 64.21 64.80 1gwi n SER 286 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1gwi s THR 287 N -1.23 2.00 0.24 6.66 -1.32 -1.13 -4.67 115.64 116.19 1gwi s THR 287 Ca 0.33 0.00 0.31 0.00 -1.21 0.00 0.00 61.69 61.13 1gwi s THR 287 Cb 0.30 -3.00 0.33 0.00 -1.51 0.00 0.00 72.50 68.62 1gwi s THR 287 CO -0.09 0.00 2.00 -0.65 -2.21 0.00 0.00 174.62 173.67 1gwi h PRO 288 N 1.86 0.00 -4.02 7.08 0.11 -1.86 -3.39 132.00 131.78 1gwi h PRO 288 Ca -0.51 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 64.87 1gwi h PRO 288 Cb 1.29 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.09 1gwi h PRO 288 CO 0.59 0.09 -0.30 0.99 -0.21 0.00 0.00 178.00 179.16 1gwi s THR 289 N -3.83 4.30 0.10 -1.15 2.01 -1.26 -0.39 115.64 115.42 1gwi s THR 289 Ca -0.01 -2.25 -0.14 0.00 0.31 0.00 0.00 61.69 59.60 1gwi s THR 289 Cb 0.11 -3.79 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1gwi s THR 289 CO 0.56 -0.85 1.43 0.28 -0.69 0.00 0.00 174.62 175.35 1gwi h SER 290 N 7.92 0.77 -4.67 3.53 0.02 -1.42 -3.31 113.55 116.39 1gwi h SER 290 Ca -0.09 -0.47 -0.17 0.00 -0.84 0.00 0.00 61.79 60.21 1gwi h SER 290 Cb 1.03 -0.22 -0.22 0.00 0.14 0.00 0.00 62.40 63.13 1gwi h SER 290 CO 0.79 1.08 -0.63 -1.00 -1.14 0.00 0.00 176.83 175.94 1gwi s HIS 291 N -4.37 0.12 -0.14 3.45 3.76 -0.87 -1.41 115.29 115.83 1gwi s HIS 291 Ca -0.12 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 54.55 1gwi s HIS 291 Cb 0.09 -0.10 0.02 0.00 1.11 0.00 0.00 32.58 33.70 1gwi s HIS 291 CO 0.83 -0.18 -0.16 0.08 -0.85 0.00 0.00 174.74 174.47 1gwi s VAL 292 N -1.07 1.64 -0.05 -0.90 1.01 -0.61 -4.75 120.40 115.68 1gwi s VAL 292 Ca -0.12 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 1gwi s VAL 292 Cb -0.07 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1gwi s VAL 292 CO -0.00 0.47 0.25 -0.76 0.00 0.00 0.00 175.10 175.06 1gwi s LEU 293 N 1.29 4.41 -0.06 3.92 1.02 -1.26 -2.22 118.68 125.78 1gwi s LEU 293 Ca 0.01 0.64 -0.30 0.00 0.02 0.00 0.00 54.13 54.50 1gwi s LEU 293 Cb -0.14 -2.38 0.09 0.00 0.02 0.00 0.00 46.19 43.78 1gwi s LEU 293 CO -0.08 0.34 0.76 -0.51 0.02 0.00 0.00 176.35 176.89 1gwi s ILE 294 N -1.12 0.00 0.14 -0.59 2.07 -1.26 -4.89 121.20 115.55 1gwi s ILE 294 Ca 0.21 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.51 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 0.10 0.00 -0.15 -0.13 -1.91 0.00 0.00 174.94 172.85 1gwi s ARG 295 N -1.46 1.09 0.01 3.50 0.52 -0.20 -4.60 118.95 117.82 1gwi s ARG 295 Ca -0.07 -1.30 0.04 0.00 -0.52 0.00 0.00 55.73 53.88 1gwi s ARG 295 Cb -0.00 -1.00 -0.01 0.00 0.52 0.00 0.00 34.95 34.45 1gwi s ARG 295 CO 0.05 0.19 -0.12 -0.06 0.02 0.00 0.00 175.30 175.38 1gwi s PHE 296 N -2.19 1.10 -0.39 -0.53 0.40 0.13 0.02 117.98 116.53 1gwi s PHE 296 Ca 0.11 -0.27 -0.27 0.00 -0.60 0.00 0.00 56.93 55.90 1gwi s PHE 296 Cb -0.05 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.82 1gwi s PHE 296 CO 0.04 0.00 1.01 0.00 0.70 0.00 0.00 175.22 176.97 1gwi s ALA 297 N -0.55 3.36 0.25 5.36 0.00 -0.91 -0.63 121.76 128.64 1gwi s ALA 297 Ca 0.03 -0.38 0.17 0.00 0.00 0.00 0.00 51.96 51.78 1gwi s ALA 297 Cb -0.06 -3.66 0.73 0.00 0.00 0.00 0.00 23.12 20.12 1gwi s ALA 297 CO 0.00 -1.76 1.77 0.00 0.00 0.00 0.00 175.76 175.77 1gwi h ALA 298 N 8.60 1.10 -2.73 0.00 0.00 -1.02 0.19 119.26 125.40 1gwi h ALA 298 Ca -0.22 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 1gwi h ALA 298 Cb 1.07 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 1gwi h ALA 298 CO 1.03 0.48 -0.31 -1.21 0.00 0.00 0.00 179.25 179.24 1gwi s GLU 299 N -3.78 1.38 0.31 0.00 0.41 -1.26 -4.75 118.70 111.01 1gwi s GLU 299 Ca -0.01 -1.37 -0.29 0.00 -0.41 0.00 0.00 54.97 52.89 1gwi s GLU 299 Cb 0.12 0.39 -0.12 0.00 -1.78 0.00 0.00 34.13 32.74 1gwi s GLU 299 CO 0.69 -0.53 1.48 -0.25 -0.49 0.00 0.00 175.26 176.16 1gwi n ASP 300 N -0.32 3.41 -4.08 -0.19 9.92 -1.26 -4.22 116.55 119.81 1gwi n ASP 300 Ca -0.01 1.17 -0.30 0.00 -0.53 0.00 0.00 54.79 55.12 1gwi n ASP 300 Cb 0.63 -1.54 -0.16 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 -0.44 1.73 0.26 2.53 1.01 -0.67 -4.93 120.40 119.89 1gwi s VAL 301 Ca 0.61 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1gwi s VAL 301 Cb -0.54 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.18 1gwi s VAL 301 CO 0.54 0.49 1.01 -2.84 0.00 0.00 0.00 175.10 174.30 1gwi s PRO 302 N 1.10 4.75 -0.31 2.72 0.02 -1.26 -0.12 135.00 141.89 1gwi s PRO 302 Ca -0.03 1.62 -0.02 0.00 0.02 0.00 0.00 61.00 62.59 1gwi s PRO 302 Cb -0.14 -3.22 0.11 0.00 0.02 0.00 0.00 34.50 31.27 1gwi s PRO 302 CO -0.05 0.37 0.15 0.08 -0.33 0.00 0.00 177.00 177.22 1gwi s VAL 303 N -1.19 0.09 0.00 3.83 1.01 -0.40 -4.93 120.40 118.82 1gwi s VAL 303 Ca 0.43 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1gwi s VAL 303 Cb -0.28 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1gwi s VAL 303 CO 0.36 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1gwi n GLY 304 N 4.84 1.96 1.49 4.51 0.00 -1.26 -1.27 105.19 115.47 1gwi n GLY 304 Ca -0.00 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 4.19 4.39 -5.01 1.61 5.68 -1.26 -4.91 116.55 121.24 1gwi n ASP 305 Ca 0.00 -2.21 -0.18 0.00 -0.50 0.00 0.00 54.79 51.90 1gwi n ASP 305 Cb 0.00 -0.54 0.03 0.00 -1.14 0.00 0.00 41.12 39.47 1gwi n ASP 305 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1gwi s ARG 306 N -1.39 2.60 -0.11 0.11 1.81 -0.39 -5.14 118.95 116.44 1gwi s ARG 306 Ca 0.51 -1.43 -0.09 0.00 -1.72 0.00 0.00 55.73 53.01 1gwi s ARG 306 Cb 0.29 -2.69 0.03 0.00 -0.45 0.00 0.00 34.95 32.13 1gwi s ARG 306 CO 0.30 -0.51 0.27 0.08 -0.68 0.00 0.00 175.30 174.76 1gwi s VAL 307 N -2.49 -0.01 -0.45 3.52 1.01 -1.26 -1.28 120.40 119.44 1gwi s VAL 307 Ca 0.57 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.36 1gwi s VAL 307 Cb -0.08 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 35.94 1gwi s VAL 307 CO 0.35 0.01 0.73 -0.63 0.00 0.00 0.00 175.10 175.56 1gwi s ILE 308 N 0.36 4.72 0.38 2.22 1.01 0.83 -4.90 121.20 125.82 1gwi s ILE 308 Ca -0.02 0.25 -0.27 0.00 0.00 0.00 0.00 60.65 60.61 1gwi s ILE 308 Cb -0.03 -4.28 -0.11 0.00 0.01 0.00 0.00 42.46 38.04 1gwi s ILE 308 CO -0.01 -0.69 1.34 -2.65 0.00 0.00 0.00 174.94 172.93 1gwi n PRO 309 N 6.54 2.22 -1.68 2.79 -0.02 -1.26 -1.67 135.00 141.92 1gwi n PRO 309 Ca 0.00 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.83 1gwi n PRO 309 Cb 0.48 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1gwi n PRO 309 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gwi n ALA 310 N 0.16 1.17 0.00 3.55 0.00 -1.26 -1.15 120.51 122.98 1gwi n ALA 310 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1gwi n ALA 310 Cb 0.38 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1gwi n ALA 310 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwi n GLY 311 N 1.32 1.75 3.91 0.00 0.00 0.65 -4.95 105.19 107.87 1gwi n GLY 311 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.42 5.63 0.14 1.61 1.11 -0.30 -1.23 116.67 121.20 1gwi s ASP 312 Ca 0.00 0.85 0.04 0.00 0.18 0.00 0.00 52.55 53.62 1gwi s ASP 312 Cb 0.00 -1.82 -0.04 0.00 1.07 0.00 0.00 42.92 42.13 1gwi s ASP 312 CO 0.00 -1.08 0.14 0.00 1.18 0.00 0.00 175.17 175.41 1gwi s ALA 313 N -3.06 3.64 -0.02 5.23 0.00 -1.26 -2.15 121.76 124.13 1gwi s ALA 313 Ca 0.54 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1gwi s ALA 313 Cb -0.11 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.59 1gwi s ALA 313 CO 0.47 0.59 0.02 -1.17 0.00 0.00 0.00 175.76 175.66 1gwi s LEU 314 N -2.90 1.10 0.14 0.00 2.96 0.10 -0.63 118.68 119.45 1gwi s LEU 314 Ca 0.31 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.31 1gwi s LEU 314 Cb -0.11 -0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.40 1gwi s LEU 314 CO 0.24 -0.12 -0.07 0.27 -1.32 0.00 0.00 176.35 175.35 1gwi s ILE 315 N 1.07 3.42 -0.31 6.68 -4.36 0.02 -1.03 121.20 126.70 1gwi s ILE 315 Ca -0.09 -1.40 -0.09 0.00 -0.26 0.00 0.00 60.65 58.81 1gwi s ILE 315 Cb -0.13 -2.66 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 1gwi s ILE 315 CO -0.02 -0.00 0.14 -0.69 0.24 0.00 0.00 174.94 174.60 1gwi s VAL 316 N -1.47 4.49 -1.27 8.37 1.01 -0.94 -2.44 120.40 128.16 1gwi s VAL 316 Ca 0.24 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1gwi s VAL 316 Cb -0.10 -3.29 0.15 0.00 0.00 0.00 0.00 36.38 33.14 1gwi s VAL 316 CO 0.15 0.08 1.69 -1.20 0.00 0.00 0.00 175.10 175.82 1gwi n SER 317 N 4.96 5.04 -0.29 3.32 7.64 -1.00 -1.57 113.62 131.72 1gwi n SER 317 Ca -0.14 -3.01 0.04 0.00 1.01 0.00 0.00 58.87 56.78 1gwi n SER 317 Cb 0.49 -1.56 0.26 0.00 -1.01 0.00 0.00 64.21 62.38 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 6.59 1.01 0.59 1.43 -1.99 -1.57 -1.15 116.97 121.88 1gwi h TYR 318 Ca 0.38 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 61.11 1gwi h TYR 318 Cb 0.77 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 39.17 1gwi h TYR 318 CO 1.22 0.52 -0.30 0.78 -0.00 0.00 0.00 178.16 180.38 1gwi h GLY 319 N 0.99 -0.86 0.98 3.88 0.00 -1.32 -0.92 103.07 105.82 1gwi h GLY 319 Ca 0.38 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 48.03 1gwi h GLY 319 CO -0.14 -0.31 0.27 0.00 0.00 0.00 0.00 176.54 176.36 1gwi h ALA 320 N -0.41 0.61 -0.48 3.60 0.00 -1.76 -2.92 119.26 117.91 1gwi h ALA 320 Ca -0.08 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1gwi h ALA 320 Cb 0.64 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1gwi h ALA 320 CO 0.12 0.13 0.32 1.25 0.00 0.00 0.00 179.25 181.07 1gwi h LEU 321 N 0.64 0.31 -2.09 0.00 6.46 -1.13 -2.76 115.31 116.74 1gwi h LEU 321 Ca 0.17 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1gwi h LEU 321 Cb 0.03 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1gwi h LEU 321 CO -0.03 0.20 -0.08 1.23 -0.62 0.00 0.00 178.44 179.14 1gwi h GLY 322 N 0.35 0.00 -3.10 3.75 0.00 -0.96 -2.70 103.07 100.41 1gwi h GLY 322 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.16 1gwi h GLY 322 CO -0.05 0.00 0.25 0.54 0.00 0.00 0.00 176.54 177.28 1gwi n ARG 323 N -3.71 2.19 -2.30 4.80 1.74 -1.04 -4.63 116.66 113.71 1gwi n ARG 323 Ca -0.02 -3.20 -0.43 0.00 -0.77 0.00 0.00 57.85 53.43 1gwi n ARG 323 Cb 0.19 -2.03 -0.02 0.00 -1.02 0.00 0.00 32.46 29.57 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 -2.07 6.37 0.56 0.55 -1.08 -1.02 -4.46 116.67 115.52 1gwi s ASP 324 Ca 0.52 1.07 0.23 0.00 -0.52 0.00 0.00 52.55 53.85 1gwi s ASP 324 Cb 0.45 -2.54 1.55 0.00 -1.46 0.00 0.00 42.92 40.92 1gwi s ASP 324 CO 0.04 -1.36 2.18 -0.33 0.52 0.00 0.00 175.17 176.22 1gwi h GLU 325 N 10.63 0.00 0.00 4.34 5.08 -1.92 -0.83 114.58 131.87 1gwi h GLU 325 Ca -0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1gwi h GLU 325 Cb 1.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1gwi h GLU 325 CO 1.06 0.00 -0.16 0.00 -1.00 0.00 0.00 179.01 178.90 1gwi h ARG 326 N 0.00 0.00 0.00 2.33 3.08 -1.90 0.29 114.38 118.18 1gwi h ARG 326 Ca 0.02 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.70 1gwi h ARG 326 Cb 0.09 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 1gwi h ARG 326 CO -0.00 0.16 -2.35 0.00 -1.07 0.00 0.00 179.97 176.71 1gwi n ALA 327 N -2.45 1.48 0.20 0.04 0.00 -0.41 -4.68 120.51 114.70 1gwi n ALA 327 Ca -0.02 -1.24 0.02 0.00 0.00 0.00 0.00 53.44 52.20 1gwi n ALA 327 Cb 0.24 -0.22 0.02 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.88 0.00 0.00 0.00 8.25 -0.66 -3.90 115.22 116.02 1gwi n HIS 328 Ca -0.34 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 1gwi n HIS 328 Cb 1.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.23 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 0.35 -0.23 0.44 -1.41 0.00 1.00 -4.40 105.19 100.93 1gwi n GLY 329 Ca 0.03 -1.86 0.26 0.00 0.00 0.00 0.00 46.02 44.45 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 0.05 -0.66 1.61 0.11 -1.96 -1.42 132.00 129.73 1gwi h PRO 330 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1gwi h PRO 330 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1gwi h PRO 330 CO 0.00 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 178.07 1gwi n THR 331 N -4.32 1.36 0.25 -1.15 -2.24 -1.26 -4.31 114.28 102.62 1gwi n THR 331 Ca 0.17 -0.78 0.12 0.00 -2.27 0.00 0.00 64.05 61.29 1gwi n THR 331 Cb 0.87 -0.16 0.66 0.00 -2.10 0.00 0.00 70.33 69.60 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 3.42 1.22 0.00 6.98 0.00 -1.46 -2.68 119.26 126.73 1gwi h ALA 332 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1gwi h ALA 332 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1gwi h ALA 332 CO 0.21 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 1gwi n ASP 333 N -3.58 0.00 -4.25 0.00 5.75 -1.26 -4.60 116.55 108.61 1gwi n ASP 333 Ca -0.01 -0.99 -0.14 0.00 -0.01 0.00 0.00 54.79 53.64 1gwi n ASP 333 Cb 0.28 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.27 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 1.07 -0.37 0.11 1.70 -1.01 -5.11 118.95 113.34 1gwi s ARG 334 Ca 0.36 -1.47 -0.28 0.00 -0.47 0.00 0.00 55.73 53.87 1gwi s ARG 334 Cb 0.16 -0.57 0.02 0.00 -0.57 0.00 0.00 34.95 33.99 1gwi s ARG 334 CO 0.28 0.04 1.05 0.12 -1.08 0.00 0.00 175.30 175.71 1gwi s PHE 335 N -3.37 3.05 -0.27 5.89 5.36 -1.26 -4.99 117.98 122.39 1gwi s PHE 335 Ca 0.18 0.97 -0.04 0.00 -0.96 0.00 0.00 56.93 57.09 1gwi s PHE 335 Cb 0.03 -3.86 0.09 0.00 -0.34 0.00 0.00 43.02 38.94 1gwi s PHE 335 CO 0.01 -0.90 0.12 0.34 -1.46 0.00 0.00 175.22 173.32 1gwi s ASP 336 N 1.90 3.43 0.54 6.13 2.15 -1.26 -4.99 116.67 124.57 1gwi s ASP 336 Ca 0.44 -1.23 0.36 0.00 0.43 0.00 0.00 52.55 52.55 1gwi s ASP 336 Cb -0.11 -0.43 1.86 0.00 -0.30 0.00 0.00 42.92 43.95 1gwi s ASP 336 CO 0.20 -0.42 2.10 0.25 -0.17 0.00 0.00 175.17 177.13 1gwi h LEU 337 N 8.35 0.00 0.00 -1.34 5.85 -1.94 -2.56 115.31 123.68 1gwi h LEU 337 Ca -0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1gwi h LEU 337 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1gwi h LEU 337 CO 0.42 0.00 -1.27 0.35 -0.34 0.00 0.00 178.44 177.60 1gwi n THR 338 N -2.83 0.12 -1.31 1.05 -2.24 -1.26 -4.89 114.28 102.92 1gwi n THR 338 Ca -0.02 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 61.11 1gwi n THR 338 Cb 0.11 0.28 0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1gwi n THR 338 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1gwi n ARG 339 N -1.99 0.22 -3.47 -0.78 1.85 -0.97 -4.97 116.66 106.56 1gwi n ARG 339 Ca 0.01 0.09 -0.27 0.00 -1.00 0.00 0.00 57.85 56.68 1gwi n ARG 339 Cb 0.46 -1.38 -0.10 0.00 -1.05 0.00 0.00 32.46 30.39 1gwi n ARG 339 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1gwi n THR 340 N -1.79 -0.33 -1.73 8.89 -1.04 -1.26 -5.12 114.28 111.90 1gwi n THR 340 Ca 0.09 -3.92 -0.31 0.00 -2.04 0.00 0.00 64.05 57.86 1gwi n THR 340 Cb 0.48 -1.84 0.04 0.00 -1.82 0.00 0.00 70.33 67.19 1gwi n THR 340 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1gwi s SER 341 N -0.59 5.54 0.00 8.00 0.15 -1.26 -4.96 113.70 120.58 1gwi s SER 341 Ca 0.32 1.67 0.27 0.00 0.70 0.00 0.00 55.95 58.90 1gwi s SER 341 Cb 0.05 -2.51 0.80 0.00 -1.71 0.00 0.00 66.02 62.65 1gwi s SER 341 CO -0.17 -1.34 1.59 0.61 1.20 0.00 0.00 173.24 175.14 1gwi n GLY 342 N -1.72 -0.63 3.03 9.45 0.00 -1.26 -4.82 105.19 109.25 1gwi n GLY 342 Ca 0.08 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.49 1.70 0.33 1.61 -0.87 -1.25 -5.13 114.94 108.84 1gwi s ASN 343 Ca 0.25 -0.28 -0.24 0.00 -1.57 0.00 0.00 52.86 51.02 1gwi s ASN 343 Cb 0.19 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.25 40.65 1gwi s ASN 343 CO 0.51 0.06 0.92 -0.13 -2.57 0.00 0.00 177.10 175.89 1gwi s ARG 344 N 0.47 4.48 0.89 -0.60 0.52 -1.26 -4.91 118.95 118.54 1gwi s ARG 344 Ca -0.10 1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 56.23 1gwi s ARG 344 Cb -0.14 -2.69 0.13 0.00 0.52 0.00 0.00 34.95 32.77 1gwi s ARG 344 CO 0.03 0.23 1.10 -3.38 0.02 0.00 0.00 175.30 173.30 1gwi s HIS 345 N -1.72 2.06 -0.23 -0.53 -3.43 -1.26 -4.96 115.29 105.22 1gwi s HIS 345 Ca 0.52 1.54 0.12 0.00 -0.80 0.00 0.00 55.06 56.43 1gwi s HIS 345 Cb -0.16 -3.18 0.45 0.00 -1.43 0.00 0.00 32.58 28.25 1gwi s HIS 345 CO 0.21 -2.49 1.19 0.44 -2.00 0.00 0.00 174.74 172.10 1gwi n ILE 346 N -3.99 2.05 0.28 -5.38 -5.35 -1.26 -4.80 119.36 100.91 1gwi n ILE 346 Ca 0.09 -3.43 0.04 0.00 -0.27 0.00 0.00 62.75 59.18 1gwi n ILE 346 Cb 0.53 -0.35 0.18 0.00 -1.74 0.00 0.00 39.64 38.26 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 -0.74 0.01 -1.09 7.28 7.64 -1.26 -0.62 113.62 124.85 1gwi n SER 347 Ca 0.27 0.50 0.09 0.00 1.01 0.00 0.00 58.87 60.75 1gwi n SER 347 Cb 0.86 -0.51 0.26 0.00 -1.01 0.00 0.00 64.21 63.82 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 -1.52 0.85 -1.63 1.43 3.01 -1.26 -4.95 117.46 113.39 1gwi n PHE 348 Ca 0.02 -0.54 0.00 0.00 1.01 0.00 0.00 57.45 57.94 1gwi n PHE 348 Cb 0.10 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 1gwi n PHE 348 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gwi n GLY 349 N 1.01 -2.01 3.55 1.37 0.00 0.21 -0.74 105.19 108.59 1gwi n GLY 349 Ca 0.20 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.09 -0.52 0.00 1.61 2.46 -1.26 -4.77 115.29 112.72 1gwi s HIS 350 Ca 0.00 0.88 0.00 0.00 0.47 0.00 0.00 55.06 56.41 1gwi s HIS 350 Cb 0.00 0.43 0.00 0.00 -0.13 0.00 0.00 32.58 32.88 1gwi s HIS 350 CO 0.00 -0.48 0.00 0.41 -2.47 0.00 0.00 174.74 172.20 1gwi n GLY 351 N 0.82 -1.50 0.31 1.59 0.00 -1.26 -4.29 105.19 100.87 1gwi n GLY 351 Ca -0.15 -1.58 0.02 0.00 0.00 0.00 0.00 46.02 44.31 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 0.86 -0.50 1.61 0.11 -1.97 -2.66 132.00 129.45 1gwi h PRO 352 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1gwi h PRO 352 Cb 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.92 1gwi h PRO 352 CO 0.00 0.57 0.00 0.72 -0.21 0.00 0.00 178.00 179.08 1gwi n HIS 353 N -4.68 0.32 -1.63 0.65 8.25 -1.26 -4.95 115.22 111.93 1gwi n HIS 353 Ca 0.13 -0.13 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1gwi n HIS 353 Cb 0.22 -0.09 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 0.04 2.20 -1.62 1.59 3.14 -1.00 -4.81 118.33 117.87 1gwi n VAL 354 Ca 0.06 -0.50 -0.48 0.00 -2.96 0.00 0.00 64.34 60.46 1gwi n VAL 354 Cb 0.28 -1.22 -0.05 0.00 -1.06 0.00 0.00 33.84 31.79 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 7.35 0.33 -0.40 0.00 -0.04 -1.26 -2.88 135.00 138.10 1gwi n PRO 356 Ca 0.28 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.91 1gwi n PRO 356 Cb 0.30 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.80 2.58 0.21 0.55 0.00 -1.26 -4.61 105.19 103.46 1gwi n GLY 357 Ca 0.11 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 4.06 -0.05 -0.56 4.61 0.00 -1.92 -0.81 119.26 124.58 1gwi h ALA 358 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1gwi h ALA 358 Cb 1.05 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1gwi h ALA 358 CO 0.04 -0.60 0.14 0.00 0.00 0.00 0.00 179.25 178.82 1gwi h ALA 359 N 0.90 1.20 0.12 0.00 0.00 -1.87 -1.66 119.26 117.94 1gwi h ALA 359 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1gwi h ALA 359 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1gwi h ALA 359 CO -0.29 0.55 -0.06 1.25 0.00 0.00 0.00 179.25 180.70 1gwi h LEU 360 N 0.83 -0.13 -0.95 0.00 5.85 -1.73 -0.40 115.31 118.77 1gwi h LEU 360 Ca 0.18 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1gwi h LEU 360 Cb 0.30 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1gwi h LEU 360 CO -0.00 0.13 0.30 0.77 -0.34 0.00 0.00 178.44 179.30 1gwi h SER 361 N -0.39 0.97 -0.76 1.25 4.64 -1.12 -0.21 113.55 117.93 1gwi h SER 361 Ca -0.02 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1gwi h SER 361 Cb 0.32 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1gwi h SER 361 CO 0.03 0.85 0.28 0.03 -0.87 0.00 0.00 176.83 177.15 1gwi h ARG 362 N 1.04 1.15 -0.28 4.77 3.08 -1.20 -0.87 114.38 122.06 1gwi h ARG 362 Ca 0.24 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1gwi h ARG 362 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1gwi h ARG 362 CO -0.02 0.95 -0.08 1.98 -1.07 0.00 0.00 179.97 181.72 1gwi h MET 363 N 1.12 0.55 0.04 0.04 4.05 -0.47 0.16 114.93 120.41 1gwi h MET 363 Ca 0.25 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1gwi h MET 363 Cb 0.24 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1gwi h MET 363 CO -0.02 0.76 -0.02 0.93 0.23 0.00 0.00 176.91 178.80 1gwi h GLU 364 N 0.31 -0.05 -0.44 0.39 5.08 -0.81 -1.45 114.58 117.62 1gwi h GLU 364 Ca 0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1gwi h GLU 364 Cb 0.56 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1gwi h GLU 364 CO 0.03 0.03 -0.15 0.00 -1.00 0.00 0.00 179.01 177.92 1gwi h ALA 365 N 0.85 0.92 0.00 3.43 0.00 -1.18 -0.66 119.26 122.62 1gwi h ALA 365 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1gwi h ALA 365 Cb 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1gwi h ALA 365 CO 0.01 0.62 -0.06 0.78 0.00 0.00 0.00 179.25 180.61 1gwi h GLY 366 N 0.97 0.00 0.13 0.00 0.00 -0.41 -1.91 103.07 101.84 1gwi h GLY 366 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.10 1gwi h GLY 366 CO 0.05 0.00 -1.93 -0.62 0.00 0.00 0.00 176.54 174.04 1gwi n VAL 367 N -4.04 1.58 -0.09 4.60 0.31 -0.57 -4.38 118.33 115.74 1gwi n VAL 367 Ca -0.03 -0.33 -0.08 0.00 -0.01 0.00 0.00 64.34 63.89 1gwi n VAL 367 Cb 0.14 -1.85 -0.01 0.00 -0.91 0.00 0.00 33.84 31.21 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 -0.44 0.39 0.16 3.52 0.00 -1.05 -2.55 119.26 119.29 1gwi h ALA 368 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1gwi h ALA 368 Cb 1.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1gwi h ALA 368 CO -0.19 -0.18 -0.08 -0.07 0.00 0.00 0.00 179.25 178.74 1gwi h LEU 369 N 0.38 -0.18 -0.63 0.00 3.38 -1.59 -0.36 115.31 116.31 1gwi h LEU 369 Ca 0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1gwi h LEU 369 Cb -0.00 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1gwi h LEU 369 CO -0.06 -0.11 0.29 -0.65 0.09 0.00 0.00 178.44 178.01 1gwi h PRO 370 N -0.24 0.92 -0.68 1.13 0.11 -1.76 -2.54 132.00 128.95 1gwi h PRO 370 Ca -0.02 -0.15 0.06 0.00 0.11 0.00 0.00 66.00 66.00 1gwi h PRO 370 Cb 0.18 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 31.08 1gwi h PRO 370 CO 0.04 0.75 0.38 0.00 -0.21 0.00 0.00 178.00 178.96 1gwi h ALA 371 N 1.13 0.90 0.23 -0.75 0.00 -1.31 0.25 119.26 119.70 1gwi h ALA 371 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1gwi h ALA 371 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1gwi h ALA 371 CO -0.02 0.07 -0.12 1.25 0.00 0.00 0.00 179.25 180.43 1gwi h LEU 372 N 0.71 -0.29 -1.12 0.00 5.85 -0.80 -1.57 115.31 118.10 1gwi h LEU 372 Ca 0.30 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1gwi h LEU 372 Cb 0.17 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1gwi h LEU 372 CO -0.17 -0.20 -0.01 1.88 -0.34 0.00 0.00 178.44 179.60 1gwi h TYR 373 N -0.32 0.00 -0.26 1.25 -1.99 -1.19 0.69 116.97 115.15 1gwi h TYR 373 Ca -0.03 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.54 1gwi h TYR 373 Cb 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1gwi h TYR 373 CO -0.07 0.01 -0.49 0.00 -0.00 0.00 0.00 178.16 177.61 1gwi h ALA 374 N 1.99 0.64 0.24 3.88 0.00 -0.11 -1.87 119.26 124.04 1gwi h ALA 374 Ca -0.00 -0.49 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 1gwi h ALA 374 Cb 0.63 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.36 1gwi h ALA 374 CO 0.00 0.68 -1.50 -0.09 0.00 0.00 0.00 179.25 178.34 1gwi h ARG 375 N 0.57 0.51 -2.61 0.00 9.65 -0.89 -3.40 114.38 118.20 1gwi h ARG 375 Ca 0.03 -0.87 -0.60 0.00 -1.10 0.00 0.00 59.98 57.44 1gwi h ARG 375 Cb 1.05 0.32 -0.40 0.00 -1.39 0.00 0.00 29.97 29.55 1gwi h ARG 375 CO 0.10 1.41 -0.77 1.19 2.80 0.00 0.00 179.97 184.71 1gwi n PHE 376 N -3.69 1.54 -0.11 2.20 3.01 0.20 -4.98 117.46 115.63 1gwi n PHE 376 Ca -0.17 -3.88 0.24 0.00 1.01 0.00 0.00 57.45 54.65 1gwi n PHE 376 Cb 1.10 -0.29 0.70 0.00 -0.01 0.00 0.00 39.48 40.97 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 5.15 0.03 -0.62 -1.08 0.11 -1.57 -2.12 132.00 131.90 1gwi h PRO 377 Ca 0.19 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1gwi h PRO 377 Cb 0.80 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1gwi h PRO 377 CO 0.59 0.02 0.00 0.72 -0.21 0.00 0.00 178.00 179.12 1gwi n HIS 378 N -4.33 1.26 -1.70 0.65 8.25 -1.26 -5.01 115.22 113.09 1gwi n HIS 378 Ca 0.15 -0.59 -0.42 0.00 -0.26 0.00 0.00 57.72 56.60 1gwi n HIS 378 Cb 0.80 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.73 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 1.09 3.81 -3.69 2.41 -0.00 -0.80 -4.65 117.00 115.17 1gwi n LEU 379 Ca 0.24 1.15 -0.10 0.00 -0.00 0.00 0.00 56.01 57.30 1gwi n LEU 379 Cb 0.80 -1.49 -0.04 0.00 -0.00 0.00 0.00 43.42 42.68 1gwi n LEU 379 CO 0.21 -0.59 0.23 -0.62 -0.00 0.00 0.00 177.39 176.62 1gwi s ASP 380 N -0.44 -0.26 0.62 1.45 -1.08 -0.87 -4.99 116.67 111.10 1gwi s ASP 380 Ca 0.59 -0.40 -0.19 0.00 -0.52 0.00 0.00 52.55 52.02 1gwi s ASP 380 Cb -0.53 0.54 -0.02 0.00 -1.46 0.00 0.00 42.92 41.45 1gwi s ASP 380 CO 0.60 -0.97 1.31 -0.76 0.52 0.00 0.00 175.17 175.87 1gwi s LEU 381 N -2.84 3.64 0.00 -1.34 1.43 -1.26 -0.80 118.68 117.50 1gwi s LEU 381 Ca 0.07 2.67 0.24 0.00 -1.03 0.00 0.00 54.13 56.07 1gwi s LEU 381 Cb 0.00 -4.54 0.25 0.00 0.03 0.00 0.00 46.19 41.93 1gwi s LEU 381 CO -0.07 -1.92 1.27 0.00 0.23 0.00 0.00 176.35 175.87 1gwi n ALA 382 N -1.71 2.88 -2.55 4.21 0.00 0.16 -4.56 120.51 118.94 1gwi n ALA 382 Ca 0.15 -0.63 -0.09 0.00 0.00 0.00 0.00 53.44 52.86 1gwi n ALA 382 Cb 0.47 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.19 0.09 0.46 0.00 -7.23 -1.26 -4.98 120.40 105.30 1gwi s VAL 383 Ca 0.26 -1.46 -0.24 0.00 -1.81 0.00 0.00 61.98 58.72 1gwi s VAL 383 Cb 0.19 -1.76 -0.07 0.00 0.56 0.00 0.00 36.38 35.30 1gwi s VAL 383 CO 0.41 -0.43 1.31 -2.84 -0.31 0.00 0.00 175.10 173.24 1gwi s PRO 384 N -3.96 3.64 0.37 4.82 0.02 -1.26 -4.86 135.00 133.77 1gwi s PRO 384 Ca 0.16 2.14 0.13 0.00 0.02 0.00 0.00 61.00 63.45 1gwi s PRO 384 Cb 0.05 -2.53 0.93 0.00 0.02 0.00 0.00 34.50 32.97 1gwi s PRO 384 CO -0.02 -0.76 1.83 0.00 -0.33 0.00 0.00 177.00 177.72 1gwi h ALA 385 N 2.15 1.98 0.00 -1.55 0.00 -1.99 0.12 119.26 119.97 1gwi h ALA 385 Ca -0.50 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1gwi h ALA 385 Cb 1.26 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1gwi h ALA 385 CO 0.60 -0.29 -0.00 0.00 0.00 0.00 0.00 179.25 179.56 1gwi h ALA 386 N 1.61 1.18 -0.00 0.00 0.00 -2.05 -1.61 119.26 118.39 1gwi h ALA 386 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1gwi h ALA 386 Cb 1.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1gwi h ALA 386 CO -0.24 0.01 -0.24 0.39 0.00 0.00 0.00 179.25 179.16 1gwi n GLU 387 N -3.35 0.43 -2.19 0.00 1.02 0.40 -4.87 120.64 112.09 1gwi n GLU 387 Ca -0.03 -0.20 -0.38 0.00 -0.02 0.00 0.00 57.16 56.54 1gwi n GLU 387 Cb 0.09 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.70 4.08 -0.16 -4.62 1.43 -0.61 -5.01 118.68 111.09 1gwi s LEU 388 Ca 0.21 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1gwi s LEU 388 Cb 0.19 -4.13 -0.00 0.00 0.03 0.00 0.00 46.19 42.28 1gwi s LEU 388 CO 0.56 -0.90 -0.16 -0.13 0.23 0.00 0.00 176.35 175.95 1gwi s ARG 389 N -2.53 3.20 0.30 1.70 0.52 -1.26 -5.06 118.95 115.82 1gwi s ARG 389 Ca 0.61 -0.76 -0.27 0.00 -0.52 0.00 0.00 55.73 54.79 1gwi s ARG 389 Cb -0.32 -2.62 -0.09 0.00 0.52 0.00 0.00 34.95 32.44 1gwi s ARG 389 CO 0.39 -0.00 0.98 -0.80 0.02 0.00 0.00 175.30 175.89 1gwi s ASN 390 N 0.86 7.33 0.43 0.23 0.01 -1.26 -0.72 114.94 121.81 1gwi s ASN 390 Ca -0.05 1.97 -0.21 0.00 -0.71 0.00 0.00 52.86 53.86 1gwi s ASN 390 Cb -0.15 -2.60 -0.11 0.00 0.41 0.00 0.00 41.25 38.81 1gwi s ASN 390 CO -0.01 -0.08 0.96 -0.54 -1.51 0.00 0.00 177.10 175.92 1gwi s LYS 391 N -1.78 4.20 -0.88 -0.60 1.02 0.99 -4.80 119.74 117.89 1gwi s LYS 391 Ca 0.48 1.17 -0.14 0.00 0.02 0.00 0.00 55.97 57.51 1gwi s LYS 391 Cb -0.23 -2.22 -0.10 0.00 -0.52 0.00 0.00 37.83 34.76 1gwi s LYS 391 CO 0.29 -0.06 2.04 -0.35 -0.92 0.00 0.00 175.35 176.35 1gwi n PRO 392 N -0.58 1.86 -3.75 -1.68 -0.04 -1.26 -4.72 135.00 124.84 1gwi n PRO 392 Ca 0.07 -1.69 -0.30 0.00 -0.04 0.00 0.00 63.50 61.54 1gwi n PRO 392 Cb 0.53 -2.71 -0.15 0.00 -0.04 0.00 0.00 33.50 31.14 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 4.12 1.01 0.45 0.52 1.01 -1.25 -4.81 120.40 121.46 1gwi s VAL 393 Ca 0.48 -1.58 0.25 0.00 0.00 0.00 0.00 61.98 61.13 1gwi s VAL 393 Cb 0.12 -1.76 0.45 0.00 0.00 0.00 0.00 36.38 35.20 1gwi s VAL 393 CO 0.03 -0.70 1.78 1.62 0.00 0.00 0.00 175.10 177.84 1gwi h VAL 394 N 6.35 0.47 0.00 2.92 3.04 -1.83 -1.68 116.25 125.52 1gwi h VAL 394 Ca -0.11 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1gwi h VAL 394 Cb 1.01 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1gwi h VAL 394 CO 0.47 0.04 -0.42 0.35 -1.01 0.00 0.00 177.57 177.01 1gwi n THR 395 N -4.47 0.12 -4.45 3.17 -2.24 -1.26 -4.61 114.28 100.55 1gwi n THR 395 Ca 0.25 -0.09 -0.25 0.00 -2.27 0.00 0.00 64.05 61.70 1gwi n THR 395 Cb 1.02 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 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 -3.05 1.68 -0.76 -0.78 -1.52 -0.63 -1.40 119.66 113.20 1gwi s GLN 396 Ca 0.10 -1.68 0.03 0.00 -1.95 0.00 0.00 55.36 51.86 1gwi s GLN 396 Cb 0.16 -1.82 0.23 0.00 -0.22 0.00 0.00 33.01 31.36 1gwi s GLN 396 CO 0.67 0.35 0.76 -1.71 -0.25 0.00 0.00 175.29 175.11 1gwi n ASN 397 N -0.41 3.93 -4.51 5.90 5.15 0.47 -4.72 115.26 121.08 1gwi n ASN 397 Ca -0.07 -3.31 -0.30 0.00 -0.60 0.00 0.00 54.58 50.30 1gwi n ASN 397 Cb 0.59 -0.84 -0.11 0.00 -0.53 0.00 0.00 39.78 38.88 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 -1.62 4.04 0.10 1.20 1.01 -1.26 -4.67 116.67 115.47 1gwi s ASP 398 Ca 0.32 -0.43 0.05 0.00 0.71 0.00 0.00 52.55 53.20 1gwi s ASP 398 Cb 0.04 -0.69 -0.04 0.00 1.01 0.00 0.00 42.92 43.24 1gwi s ASP 398 CO -0.07 0.22 0.03 -0.76 0.21 0.00 0.00 175.17 174.80 1gwi s LEU 399 N -1.82 3.57 0.15 1.23 1.43 -1.26 -0.01 118.68 121.97 1gwi s LEU 399 Ca 0.17 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 1gwi s LEU 399 Cb -0.11 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1gwi s LEU 399 CO 0.09 0.16 1.55 -0.26 0.23 0.00 0.00 176.35 178.12 1gwi h PHE 400 N 3.24 1.07 -3.28 0.29 -1.00 -1.24 -3.45 116.94 112.59 1gwi h PHE 400 Ca -0.47 -0.24 -0.01 0.00 2.81 0.00 0.00 57.97 60.05 1gwi h PHE 400 Cb 1.17 -0.26 -0.09 0.00 3.61 0.00 0.00 35.95 40.38 1gwi h PHE 400 CO 0.60 1.04 0.06 -1.83 -1.61 0.00 0.00 178.31 176.58 1gwi s GLU 401 N -4.75 1.47 -0.52 1.51 1.03 -1.26 -4.95 118.70 111.23 1gwi s GLU 401 Ca -0.12 -0.91 0.04 0.00 0.03 0.00 0.00 54.97 54.01 1gwi s GLU 401 Cb 0.12 0.53 0.16 0.00 -0.80 0.00 0.00 34.13 34.14 1gwi s GLU 401 CO 0.85 -0.63 0.37 -1.17 -1.33 0.00 0.00 175.26 173.35 1gwi s LEU 402 N -2.89 2.92 -0.10 1.83 2.96 -1.26 -4.73 118.68 117.40 1gwi s LEU 402 Ca 0.11 -3.23 -0.29 0.00 -0.22 0.00 0.00 54.13 50.49 1gwi s LEU 402 Cb -0.02 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 1gwi s LEU 402 CO -0.00 -0.16 1.56 -2.84 -1.32 0.00 0.00 176.35 173.58 1gwi s PRO 403 N -0.40 4.14 0.12 0.98 0.02 -1.26 -1.19 135.00 137.42 1gwi s PRO 403 Ca 0.26 1.99 0.01 0.00 0.02 0.00 0.00 61.00 63.29 1gwi s PRO 403 Cb -0.06 -3.94 -0.04 0.00 0.02 0.00 0.00 34.50 30.48 1gwi s PRO 403 CO -0.14 -0.87 -0.02 0.14 -0.33 0.00 0.00 177.00 175.78 1gwi s VAL 404 N 4.07 0.55 -0.24 3.83 -7.23 -0.56 0.38 120.40 121.20 1gwi s VAL 404 Ca 0.69 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1gwi s VAL 404 Cb -0.29 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.83 1gwi s VAL 404 CO 0.26 -0.71 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.12 1gwi s ARG 405 N -3.90 2.79 0.34 4.82 0.52 0.02 -1.59 118.95 121.95 1gwi s ARG 405 Ca 0.17 -1.00 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1gwi s ARG 405 Cb 0.06 -2.91 0.61 0.00 0.52 0.00 0.00 34.95 33.23 1gwi s ARG 405 CO -0.02 -0.39 1.89 -0.07 0.02 0.00 0.00 175.30 176.73 1gwi h LEU 406 N 7.97 0.51 -8.78 2.53 3.38 -1.75 -2.31 115.31 116.86 1gwi h LEU 406 Ca -0.33 -0.09 -0.41 0.00 0.09 0.00 0.00 57.88 57.15 1gwi h LEU 406 Cb 1.10 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.61 1gwi h LEU 406 CO 0.57 0.55 -0.40 0.00 0.09 0.00 0.00 178.44 179.25 1gwi s ALA 407 N -5.05 1.52 0.00 1.53 0.00 -1.22 -2.79 121.76 115.75 1gwi s ALA 407 Ca -0.08 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 49.98 1gwi s ALA 407 Cb 0.16 1.38 0.00 0.00 0.00 0.00 0.00 23.12 24.66 1gwi s ALA 407 CO 0.76 -0.70 0.00 -2.39 0.00 0.00 0.00 175.76 173.43