#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itw s THR 3 N 0.00 2.69 0.25 6.66 2.01 -1.26 -4.92 115.64 121.07 1itw s THR 3 Ca 0.00 0.60 -0.31 0.00 0.31 0.00 0.00 61.69 62.29 1itw s THR 3 Cb 0.00 -3.39 -0.12 0.00 0.01 0.00 0.00 72.50 69.00 1itw s THR 3 CO 0.00 0.11 1.55 -2.65 -0.69 0.00 0.00 174.62 172.94 1itw n PRO 4 N 2.01 2.46 -4.60 4.92 -0.02 -1.25 -4.75 135.00 133.77 1itw n PRO 4 Ca 0.05 0.88 -0.31 0.00 -2.02 0.00 0.00 63.50 62.10 1itw n PRO 4 Cb 0.41 -2.63 -0.12 0.00 -0.02 0.00 0.00 33.50 31.14 1itw n PRO 4 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1itw s LYS 5 N -0.13 2.19 -0.15 -0.52 1.02 -1.26 -1.02 119.74 119.86 1itw s LYS 5 Ca 0.68 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.76 1itw s LYS 5 Cb -0.56 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 1itw s LYS 5 CO 0.46 0.55 -0.16 0.42 -0.92 0.00 0.00 175.35 175.70 1itw s ILE 6 N -0.95 2.56 -0.16 2.17 1.01 0.05 -4.50 121.20 121.38 1itw s ILE 6 Ca 0.15 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 1itw s ILE 6 Cb -0.11 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1itw s ILE 6 CO 0.06 0.52 0.48 -0.63 0.00 0.00 0.00 174.94 175.37 1itw s ILE 7 N 0.83 5.16 -0.23 2.92 -1.09 0.10 -1.17 121.20 127.72 1itw s ILE 7 Ca -0.05 0.92 -0.03 0.00 -2.23 0.00 0.00 60.65 59.26 1itw s ILE 7 Cb -0.15 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1itw s ILE 7 CO -0.01 0.27 -0.04 -0.47 -1.23 0.00 0.00 174.94 173.46 1itw s TYR 8 N 1.06 2.99 0.07 3.97 5.04 0.76 -0.35 117.35 130.89 1itw s TYR 8 Ca 0.24 -1.12 -0.30 0.00 -2.44 0.00 0.00 57.07 53.45 1itw s TYR 8 Cb -0.15 -2.10 -0.06 0.00 0.35 0.00 0.00 41.96 40.00 1itw s TYR 8 CO 0.10 -0.61 1.13 0.95 -1.34 0.00 0.00 175.55 175.78 1itw s THR 9 N 1.44 4.18 -0.28 4.34 -4.23 -0.75 -2.52 115.64 117.80 1itw s THR 9 Ca 0.04 1.63 -0.17 0.00 -1.18 0.00 0.00 61.69 62.00 1itw s THR 9 Cb -0.15 -4.04 -0.02 0.00 1.34 0.00 0.00 72.50 69.63 1itw s THR 9 CO -0.04 0.16 0.49 -0.76 -0.54 0.00 0.00 174.62 173.94 1itw s LEU 10 N 0.72 4.11 0.00 4.79 1.43 0.22 -4.60 118.68 125.35 1itw s LEU 10 Ca 0.55 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1itw s LEU 10 Cb -0.28 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1itw s LEU 10 CO 0.30 -0.32 0.00 0.35 0.23 0.00 0.00 176.35 176.92 1itw n THR 11 N 5.22 0.00 -4.52 5.49 -2.24 -1.26 -1.61 114.28 115.36 1itw n THR 11 Ca -0.05 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.48 1itw n THR 11 Cb 0.50 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 1itw n THR 11 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1itw s ASP 12 N 0.35 3.45 0.04 3.42 1.01 -1.26 -4.38 116.67 119.30 1itw s ASP 12 Ca 0.00 -1.22 0.00 0.00 0.71 0.00 0.00 52.55 52.04 1itw s ASP 12 Cb 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 42.92 43.63 1itw s ASP 12 CO 0.00 -0.28 0.00 -0.62 0.21 0.00 0.00 175.17 174.48 1itw n GLU 13 N -0.76 0.00 0.32 8.23 1.02 -1.26 -2.56 120.64 125.63 1itw n GLU 13 Ca -0.05 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.92 1itw n GLU 13 Cb 0.64 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.97 1itw n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1itw h ALA 14 N -0.02 -0.84 -0.07 0.62 0.00 -1.52 -2.05 119.26 115.38 1itw h ALA 14 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1itw h ALA 14 Cb 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1itw h ALA 14 CO 0.00 -0.98 0.00 -1.00 0.00 0.00 0.00 179.25 177.27 1itw h PRO 15 N -0.84 0.09 -0.58 0.00 0.13 -1.74 -1.35 132.00 127.72 1itw h PRO 15 Ca -0.07 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 1itw h PRO 15 Cb 0.67 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 1itw h PRO 15 CO 0.09 0.11 0.19 0.00 -0.23 0.00 0.00 178.00 178.15 1itw h ALA 16 N 1.91 0.76 -0.13 -0.56 0.00 -1.28 -0.90 119.26 119.07 1itw h ALA 16 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1itw h ALA 16 Cb 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1itw h ALA 16 CO 0.00 0.42 0.02 -0.07 0.00 0.00 0.00 179.25 179.62 1itw h LEU 17 N 0.82 0.20 -1.19 0.00 3.38 -0.63 -2.93 115.31 114.97 1itw h LEU 17 Ca 0.19 -0.26 0.14 0.00 0.09 0.00 0.00 57.88 58.03 1itw h LEU 17 Cb 0.28 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1itw h LEU 17 CO -0.01 0.42 0.59 0.00 0.09 0.00 0.00 178.44 179.53 1itw h ALA 18 N 0.79 1.73 -0.29 1.53 0.00 -1.08 -1.49 119.26 120.45 1itw h ALA 18 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1itw h ALA 18 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1itw h ALA 18 CO 0.00 0.02 0.10 1.15 0.00 0.00 0.00 179.25 180.53 1itw h THR 19 N 0.79 1.13 0.00 0.00 2.02 -0.97 -0.25 112.91 115.62 1itw h THR 19 Ca 0.47 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1itw h THR 19 Cb 0.65 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1itw h THR 19 CO -0.23 0.15 -0.08 1.88 0.37 0.00 0.00 175.52 177.61 1itw h TYR 20 N 0.41 0.00 0.06 3.16 -1.99 -1.22 -0.52 116.97 116.87 1itw h TYR 20 Ca 0.10 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.53 1itw h TYR 20 Cb 0.11 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.82 1itw h TYR 20 CO 0.00 0.08 -1.62 1.03 -0.00 0.00 0.00 178.16 177.65 1itw h SER 21 N 0.00 0.21 0.05 3.88 0.87 -1.38 -3.41 113.55 113.77 1itw h SER 21 Ca -0.00 -0.73 -0.28 0.00 -1.23 0.00 0.00 61.79 59.55 1itw h SER 21 Cb 0.16 -0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1itw h SER 21 CO 0.01 1.68 -1.11 0.25 -0.53 0.00 0.00 176.83 177.13 1itw h LEU 22 N -0.47 0.90 -0.57 2.23 5.85 -0.97 -3.34 115.31 118.93 1itw h LEU 22 Ca -0.39 -0.76 0.07 0.00 0.84 0.00 0.00 57.88 57.65 1itw h LEU 22 Cb 1.67 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.36 1itw h LEU 22 CO -0.06 1.56 0.25 0.25 -0.34 0.00 0.00 178.44 180.09 1itw h LEU 23 N 0.36 0.30 -1.32 2.25 6.46 -1.33 -0.47 115.31 121.56 1itw h LEU 23 Ca -0.15 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1itw h LEU 23 Cb 1.77 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.67 1itw h LEU 23 CO 0.22 0.19 0.46 -0.65 -0.62 0.00 0.00 178.44 178.04 1itw h PRO 24 N 0.46 0.90 -0.18 5.25 0.11 -1.77 -0.19 132.00 136.57 1itw h PRO 24 Ca 0.27 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1itw h PRO 24 Cb 0.27 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1itw h PRO 24 CO -0.24 0.59 0.04 0.82 -0.21 0.00 0.00 178.00 179.00 1itw h ILE 25 N 0.92 1.20 -0.44 4.15 2.04 -1.36 -1.47 117.51 122.56 1itw h ILE 25 Ca 0.26 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1itw h ILE 25 Cb -0.08 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1itw h ILE 25 CO -0.06 0.20 0.25 0.40 0.00 0.00 0.00 178.15 178.94 1itw h ILE 26 N 0.10 1.04 -0.78 -0.67 2.04 -0.56 -1.12 117.51 117.55 1itw h ILE 26 Ca 0.06 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1itw h ILE 26 Cb 0.27 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1itw h ILE 26 CO 0.00 0.09 0.52 0.11 0.00 0.00 0.00 178.15 178.87 1itw h LYS 27 N 0.51 1.03 -0.40 2.37 1.57 -0.92 -1.30 116.57 119.43 1itw h LYS 27 Ca 0.18 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1itw h LYS 27 Cb 0.02 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1itw h LYS 27 CO -0.09 0.68 0.08 0.00 -0.57 0.00 0.00 179.45 179.55 1itw h ALA 28 N 1.29 0.53 0.00 3.86 0.00 -0.82 -1.73 119.26 122.39 1itw h ALA 28 Ca 0.29 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1itw h ALA 28 Cb -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1itw h ALA 28 CO -0.06 0.24 -0.54 0.74 0.00 0.00 0.00 179.25 179.62 1itw h PHE 29 N 0.52 0.00 0.00 0.00 -1.00 -1.03 -3.30 116.94 112.13 1itw h PHE 29 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1itw h PHE 29 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 1itw h PHE 29 CO 0.02 0.54 -1.09 0.25 -1.61 0.00 0.00 178.31 176.42 1itw n THR 30 N -3.74 0.31 -0.03 -1.55 -2.24 -0.51 -4.54 114.28 101.99 1itw n THR 30 Ca -0.01 -0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 1itw n THR 30 Cb 0.58 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 1itw n THR 30 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1itw h GLY 31 N 4.30 -0.41 2.00 3.38 0.00 -1.39 -2.22 103.07 108.74 1itw h GLY 31 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1itw h GLY 31 CO 0.00 -0.22 0.00 1.48 0.00 0.00 0.00 176.54 177.80 1itw h SER 32 N -0.37 0.00 -0.47 0.19 4.64 0.04 -2.05 113.55 115.53 1itw h SER 32 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1itw h SER 32 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1itw h SER 32 CO -0.39 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.37 1itw n SER 33 N -2.61 3.32 -1.56 4.97 7.64 -0.84 -4.91 113.62 119.63 1itw n SER 33 Ca -0.02 -2.24 -0.11 0.00 1.01 0.00 0.00 58.87 57.52 1itw n SER 33 Cb 0.07 -0.45 0.02 0.00 -1.01 0.00 0.00 64.21 62.83 1itw n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1itw n GLY 34 N 0.99 0.12 3.35 0.23 0.00 -0.77 -4.76 105.19 104.35 1itw n GLY 34 Ca 0.18 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1itw n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1itw s ILE 35 N -2.85 2.42 -0.04 -0.61 1.01 -1.19 -3.97 121.20 115.97 1itw s ILE 35 Ca 0.15 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1itw s ILE 35 Cb -0.07 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1itw s ILE 35 CO 0.18 0.58 -0.13 0.00 0.00 0.00 0.00 174.94 175.57 1itw s ALA 36 N -0.41 2.71 -0.21 9.38 0.00 -0.19 -4.26 121.76 128.79 1itw s ALA 36 Ca 0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 1itw s ALA 36 Cb -0.12 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.02 1itw s ALA 36 CO 0.02 0.56 -0.11 0.08 0.00 0.00 0.00 175.76 176.31 1itw s VAL 37 N -0.76 2.75 0.07 0.00 1.01 -1.26 -0.77 120.40 121.44 1itw s VAL 37 Ca 0.12 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1itw s VAL 37 Cb -0.11 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1itw s VAL 37 CO 0.01 0.44 -0.14 -1.61 0.00 0.00 0.00 175.10 173.80 1itw s GLU 38 N 1.38 2.07 0.19 2.72 2.02 -0.32 -4.95 118.70 121.81 1itw s GLU 38 Ca 0.05 -1.01 0.05 0.00 0.02 0.00 0.00 54.97 54.08 1itw s GLU 38 Cb -0.14 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1itw s GLU 38 CO -0.08 0.52 0.18 0.95 0.02 0.00 0.00 175.26 176.86 1itw s THR 39 N -1.07 4.61 -0.02 3.63 -4.23 -1.26 -0.17 115.64 117.13 1itw s THR 39 Ca 0.18 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1itw s THR 39 Cb -0.11 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1itw s THR 39 CO 0.09 -0.19 -0.00 -0.13 -0.54 0.00 0.00 174.62 173.85 1itw s ARG 40 N -3.37 0.25 -0.49 3.99 1.81 -1.05 -4.89 118.95 115.20 1itw s ARG 40 Ca 0.32 0.05 -0.21 0.00 -1.72 0.00 0.00 55.73 54.16 1itw s ARG 40 Cb -0.09 -0.39 0.04 0.00 -0.45 0.00 0.00 34.95 34.05 1itw s ARG 40 CO 0.25 -0.09 0.73 0.34 -0.68 0.00 0.00 175.30 175.84 1itw s ASP 41 N 0.76 6.30 -0.15 0.23 3.68 -1.26 -0.61 116.67 125.62 1itw s ASP 41 Ca -0.07 -0.53 0.18 0.00 2.13 0.00 0.00 52.55 54.26 1itw s ASP 41 Cb -0.11 -2.35 0.38 0.00 -1.45 0.00 0.00 42.92 39.40 1itw s ASP 41 CO -0.01 -0.95 1.25 2.30 0.13 0.00 0.00 175.17 177.89 1itw n ILE 42 N 5.89 2.03 -1.31 4.11 -5.35 -0.63 -4.43 119.36 119.67 1itw n ILE 42 Ca -0.02 -2.10 -0.33 0.00 -0.27 0.00 0.00 62.75 60.03 1itw n ILE 42 Cb 0.47 -0.24 0.10 0.00 -1.74 0.00 0.00 39.64 38.23 1itw n ILE 42 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1itw s SER 43 N -2.49 4.19 0.15 7.28 1.04 -1.08 -4.74 113.70 118.03 1itw s SER 43 Ca 0.36 2.13 -0.19 0.00 0.48 0.00 0.00 55.95 58.73 1itw s SER 43 Cb 0.30 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.89 1itw s SER 43 CO 0.05 -2.26 1.68 0.25 0.98 0.00 0.00 173.24 173.94 1itw h LEU 44 N -0.74 -0.35 -0.77 2.42 6.46 -1.88 0.28 115.31 120.73 1itw h LEU 44 Ca -0.46 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 1itw h LEU 44 Cb 1.27 0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 41.37 1itw h LEU 44 CO 0.49 -0.13 0.41 0.00 -0.62 0.00 0.00 178.44 178.59 1itw h ALA 45 N 1.23 0.99 -0.65 1.25 0.00 -1.92 -1.65 119.26 118.50 1itw h ALA 45 Ca 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1itw h ALA 45 Cb 0.26 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1itw h ALA 45 CO -0.32 0.52 0.14 0.78 0.00 0.00 0.00 179.25 180.37 1itw h GLY 46 N 1.07 1.13 1.88 0.00 0.00 -1.71 -0.77 103.07 104.68 1itw h GLY 46 Ca 0.27 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1itw h GLY 46 CO -0.04 0.68 -0.30 3.21 0.00 0.00 0.00 176.54 180.08 1itw h ARG 47 N 0.98 0.14 -0.04 4.80 3.08 -0.67 -0.43 114.38 122.24 1itw h ARG 47 Ca 0.20 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1itw h ARG 47 Cb 0.39 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1itw h ARG 47 CO 0.01 0.44 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.23 1itw h LEU 48 N 0.13 0.11 -0.35 3.04 3.38 -0.91 -2.93 115.31 117.78 1itw h LEU 48 Ca 0.02 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1itw h LEU 48 Cb 0.60 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1itw h LEU 48 CO 0.04 0.58 0.23 0.40 0.09 0.00 0.00 178.44 179.79 1itw h ILE 49 N -0.36 1.10 -0.08 1.22 2.04 -0.96 -2.40 117.51 118.06 1itw h ILE 49 Ca 0.01 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1itw h ILE 49 Cb 0.55 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1itw h ILE 49 CO 0.01 0.10 0.07 0.00 0.00 0.00 0.00 178.15 178.33 1itw h ALA 50 N 1.12 1.82 0.00 1.87 0.00 -1.13 -2.92 119.26 120.02 1itw h ALA 50 Ca 0.13 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1itw h ALA 50 Cb -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1itw h ALA 50 CO -0.03 -0.11 -0.51 1.15 0.00 0.00 0.00 179.25 179.75 1itw h THR 51 N 0.00 0.88 -2.15 0.00 2.02 -1.23 -3.39 112.91 109.04 1itw h THR 51 Ca 0.04 -2.23 -0.57 0.00 0.77 0.00 0.00 66.41 64.42 1itw h THR 51 Cb 0.18 2.42 -0.42 0.00 -1.74 0.00 0.00 68.15 68.60 1itw h THR 51 CO -0.00 0.50 -0.72 0.49 0.37 0.00 0.00 175.52 176.16 1itw n PHE 52 N -3.23 3.52 -0.19 3.16 3.01 -1.10 -4.89 117.46 117.73 1itw n PHE 52 Ca 0.02 -3.86 0.10 0.00 1.01 0.00 0.00 57.45 54.72 1itw n PHE 52 Cb 0.73 -0.43 0.40 0.00 -0.01 0.00 0.00 39.48 40.17 1itw n PHE 52 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1itw h PRO 53 N 2.94 0.63 0.00 -1.08 0.11 -1.77 -1.87 132.00 130.96 1itw h PRO 53 Ca 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1itw h PRO 53 Cb 0.61 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1itw h PRO 53 CO 0.78 0.42 0.00 1.05 -0.21 0.00 0.00 178.00 180.04 1itw h GLU 54 N 0.65 0.00 -0.31 1.05 9.09 -1.95 -0.37 114.58 122.74 1itw h GLU 54 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 1itw h GLU 54 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 1itw h GLU 54 CO -0.13 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.59 1itw n TYR 55 N -2.92 0.39 -4.34 2.06 4.02 -0.71 -4.98 117.16 110.69 1itw n TYR 55 Ca -0.02 -0.20 -0.26 0.00 -0.01 0.00 0.00 57.90 57.42 1itw n TYR 55 Cb 0.12 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.34 1itw n TYR 55 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1itw s LEU 56 N -1.57 2.87 0.69 7.72 1.43 -0.15 -4.13 118.68 125.54 1itw s LEU 56 Ca 0.37 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1itw s LEU 56 Cb 0.22 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1itw s LEU 56 CO 0.31 0.08 1.06 0.42 0.23 0.00 0.00 176.35 178.45 1itw s THR 57 N -1.90 4.08 0.30 5.49 -4.23 -1.26 -4.88 115.64 113.24 1itw s THR 57 Ca 0.26 0.68 0.05 0.00 -1.18 0.00 0.00 61.69 61.49 1itw s THR 57 Cb -0.08 -3.47 0.30 0.00 1.34 0.00 0.00 72.50 70.59 1itw s THR 57 CO 0.15 -0.88 1.81 0.44 -0.54 0.00 0.00 174.62 175.60 1itw h ASP 58 N -0.67 0.83 1.63 3.99 3.32 -1.97 -1.37 116.42 122.17 1itw h ASP 58 Ca -0.44 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 1itw h ASP 58 Cb 1.21 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1itw h ASP 58 CO 0.58 0.37 -0.02 0.71 -1.72 0.00 0.00 179.24 179.16 1itw h THR 59 N 0.85 0.04 0.00 0.35 1.35 -2.03 -3.23 112.91 110.24 1itw h THR 59 Ca 0.53 -0.87 -0.10 0.00 -0.55 0.00 0.00 66.41 65.42 1itw h THR 59 Cb 0.72 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 1itw h THR 59 CO -0.31 0.02 -0.61 1.56 -0.25 0.00 0.00 175.52 175.92 1itw h GLN 60 N 0.00 0.00 -6.99 4.72 4.20 -1.61 -3.46 115.11 111.97 1itw h GLN 60 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1itw h GLN 60 Cb 0.84 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.71 1itw h GLN 60 CO 0.00 0.39 0.57 0.15 -0.67 0.00 0.00 178.83 179.28 1itw s LYS 61 N -3.00 3.70 0.06 1.46 1.02 -1.11 -4.96 119.74 116.90 1itw s LYS 61 Ca 0.03 2.06 -0.00 0.00 0.02 0.00 0.00 55.97 58.07 1itw s LYS 61 Cb 0.08 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1itw s LYS 61 CO 0.75 -0.68 -0.04 0.96 -0.92 0.00 0.00 175.35 175.42 1itw s ILE 62 N -1.36 0.33 0.59 2.17 -4.36 -1.26 -5.07 121.20 112.24 1itw s ILE 62 Ca 0.63 -1.80 -0.19 0.00 -0.26 0.00 0.00 60.65 59.03 1itw s ILE 62 Cb -0.36 -1.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1itw s ILE 62 CO 0.44 -0.95 1.20 -0.94 0.24 0.00 0.00 174.94 174.93 1itw s SER 63 N -2.89 5.22 -1.20 4.36 1.04 -1.26 -4.57 113.70 114.40 1itw s SER 63 Ca 0.07 2.36 -0.19 0.00 0.48 0.00 0.00 55.95 58.67 1itw s SER 63 Cb 0.07 -2.60 0.08 0.00 0.10 0.00 0.00 66.02 63.67 1itw s SER 63 CO -0.08 -1.57 1.60 -0.62 0.98 0.00 0.00 173.24 173.55 1itw s ASP 64 N -1.64 6.77 0.48 7.02 -1.08 -1.26 -4.80 116.67 122.16 1itw s ASP 64 Ca 0.77 -2.24 0.24 0.00 -0.52 0.00 0.00 52.55 50.79 1itw s ASP 64 Cb -0.29 -2.55 1.23 0.00 -1.46 0.00 0.00 42.92 39.85 1itw s ASP 64 CO 0.33 -1.20 1.99 0.44 0.52 0.00 0.00 175.17 177.25 1itw h ASP 65 N 8.14 0.00 -0.23 -0.34 3.32 -1.91 -2.37 116.42 123.03 1itw h ASP 65 Ca 0.36 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 1itw h ASP 65 Cb 0.91 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1itw h ASP 65 CO 1.41 0.18 -0.02 0.25 -1.72 0.00 0.00 179.24 179.34 1itw h LEU 66 N 0.00 0.42 -0.49 1.55 6.46 -1.88 0.78 115.31 122.14 1itw h LEU 66 Ca -0.00 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 57.41 1itw h LEU 66 Cb 0.45 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 1itw h LEU 66 CO 0.02 0.65 0.24 0.00 -0.62 0.00 0.00 178.44 178.73 1itw h ALA 67 N 0.78 0.64 -0.44 1.25 0.00 -1.93 -0.92 119.26 118.64 1itw h ALA 67 Ca 0.06 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1itw h ALA 67 Cb 0.45 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1itw h ALA 67 CO 0.02 0.20 0.23 1.49 0.00 0.00 0.00 179.25 181.19 1itw h GLU 68 N 0.65 0.45 -0.74 0.00 4.57 -1.27 -1.79 114.58 116.46 1itw h GLU 68 Ca 0.17 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1itw h GLU 68 Cb 0.12 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1itw h GLU 68 CO -0.02 0.30 0.42 -0.07 -1.18 0.00 0.00 179.01 178.45 1itw h LEU 69 N 0.46 0.91 -0.89 1.64 3.38 -0.49 -0.54 115.31 119.78 1itw h LEU 69 Ca 0.19 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1itw h LEU 69 Cb 0.08 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 1itw h LEU 69 CO -0.12 0.73 0.57 1.23 0.09 0.00 0.00 178.44 180.94 1itw h GLY 70 N 1.01 1.32 0.87 0.83 0.00 -0.63 0.24 103.07 106.71 1itw h GLY 70 Ca 0.26 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1itw h GLY 70 CO -0.04 0.34 0.00 0.50 0.00 0.00 0.00 176.54 177.34 1itw h LYS 71 N 1.09 0.48 -0.89 4.80 1.79 -0.88 -2.97 116.57 119.98 1itw h LYS 71 Ca 0.37 -0.15 0.04 0.00 -2.18 0.00 0.00 60.65 58.72 1itw h LYS 71 Cb 0.06 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.61 1itw h LYS 71 CO -0.14 0.64 0.59 1.25 -1.08 0.00 0.00 179.45 180.71 1itw h LEU 72 N 0.26 0.96 -2.51 2.94 5.85 -0.20 -1.73 115.31 120.88 1itw h LEU 72 Ca 0.08 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1itw h LEU 72 Cb 0.42 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1itw h LEU 72 CO 0.01 0.65 0.00 0.00 -0.34 0.00 0.00 178.44 178.77 1itw h ALA 73 N 1.48 1.00 -0.46 1.25 0.00 -0.39 -0.55 119.26 121.59 1itw h ALA 73 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1itw h ALA 73 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1itw h ALA 73 CO -0.11 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.39 1itw n THR 74 N -2.86 2.18 -4.10 0.00 -2.24 -0.65 -4.62 114.28 101.97 1itw n THR 74 Ca -0.02 -1.47 -0.31 0.00 -2.27 0.00 0.00 64.05 59.97 1itw n THR 74 Cb 0.07 -0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.15 1itw n THR 74 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1itw s THR 75 N -2.36 4.34 0.47 4.28 -4.23 -0.21 -4.81 115.64 113.11 1itw s THR 75 Ca 0.46 -0.79 0.13 0.00 -1.18 0.00 0.00 61.69 60.31 1itw s THR 75 Cb 0.34 -3.06 0.25 0.00 1.34 0.00 0.00 72.50 71.37 1itw s THR 75 CO 0.16 0.17 2.08 -0.65 -0.54 0.00 0.00 174.62 175.84 1itw h PRO 76 N 3.52 0.17 -0.64 3.99 0.11 -1.86 -3.18 132.00 134.12 1itw h PRO 76 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1itw h PRO 76 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1itw h PRO 76 CO 0.63 0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 1itw n ASP 77 N -4.47 3.87 -4.75 -2.05 8.00 -1.26 -2.32 116.55 113.56 1itw n ASP 77 Ca -0.01 -2.08 -0.40 0.00 0.71 0.00 0.00 54.79 53.00 1itw n ASP 77 Cb 0.12 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.78 1itw n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1itw n ALA 78 N 1.30 1.91 -3.40 2.24 0.00 -1.20 -4.87 120.51 116.49 1itw n ALA 78 Ca 0.22 0.27 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 1itw n ALA 78 Cb 0.63 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 17.61 1itw n ALA 78 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1itw s ASN 79 N -0.43 1.68 -0.07 0.00 3.84 -1.24 -0.38 114.94 118.34 1itw s ASN 79 Ca 0.60 -0.90 0.05 0.00 0.21 0.00 0.00 52.86 52.82 1itw s ASN 79 Cb -0.47 0.48 -0.01 0.00 -0.55 0.00 0.00 41.25 40.70 1itw s ASN 79 CO 0.59 -0.37 -0.22 -0.63 -2.79 0.00 0.00 177.10 173.67 1itw s ILE 80 N 2.22 2.33 -0.28 -5.21 1.01 -0.17 -0.72 121.20 120.37 1itw s ILE 80 Ca 0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 1itw s ILE 80 Cb -0.14 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.47 1itw s ILE 80 CO -0.29 0.57 0.02 -0.63 0.00 0.00 0.00 174.94 174.61 1itw s ILE 81 N -0.16 3.48 -0.25 2.92 1.01 0.52 0.22 121.20 128.95 1itw s ILE 81 Ca -0.03 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 1itw s ILE 81 Cb -0.14 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1itw s ILE 81 CO 0.04 0.09 0.07 -0.75 0.00 0.00 0.00 174.94 174.39 1itw s LYS 82 N 1.41 3.68 0.34 2.79 2.47 0.27 -1.81 119.74 128.89 1itw s LYS 82 Ca 0.01 -0.46 0.04 0.00 -1.56 0.00 0.00 55.97 53.99 1itw s LYS 82 Cb -0.17 -3.33 -0.02 0.00 -1.46 0.00 0.00 37.83 32.85 1itw s LYS 82 CO -0.00 -0.16 0.49 -0.51 0.16 0.00 0.00 175.35 175.33 1itw s LEU 83 N 1.53 4.00 0.51 5.43 1.02 -1.26 -0.48 118.68 129.43 1itw s LEU 83 Ca 0.06 0.07 -0.22 0.00 0.02 0.00 0.00 54.13 54.05 1itw s LEU 83 Cb -0.15 -2.94 -0.07 0.00 0.02 0.00 0.00 46.19 43.05 1itw s LEU 83 CO 0.04 -0.38 1.15 -2.65 0.02 0.00 0.00 176.35 174.53 1itw n PRO 84 N -1.69 1.44 -4.00 1.29 -0.02 -1.26 -4.93 135.00 125.82 1itw n PRO 84 Ca -0.03 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 1itw n PRO 84 Cb 0.57 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 1itw n PRO 84 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1itw s ASN 85 N -0.88 0.06 0.14 2.55 4.22 -1.26 -4.26 114.94 115.51 1itw s ASN 85 Ca 0.69 -0.96 -0.30 0.00 -2.14 0.00 0.00 52.86 50.15 1itw s ASN 85 Cb -0.47 0.43 -0.07 0.00 1.28 0.00 0.00 41.25 42.43 1itw s ASN 85 CO 0.52 -0.90 1.14 -0.63 -2.04 0.00 0.00 177.10 175.19 1itw s ILE 86 N -4.00 3.88 -0.67 0.54 1.01 -1.26 -4.59 121.20 116.11 1itw s ILE 86 Ca 0.20 1.52 -0.04 0.00 0.00 0.00 0.00 60.65 62.33 1itw s ILE 86 Cb 0.04 -3.97 0.17 0.00 0.01 0.00 0.00 42.46 38.71 1itw s ILE 86 CO 0.02 0.21 0.51 -0.44 0.00 0.00 0.00 174.94 175.25 1itw s SER 87 N 0.30 5.48 0.27 3.58 0.01 -1.26 -4.87 113.70 117.22 1itw s SER 87 Ca 0.53 -2.90 -0.31 0.00 1.31 0.00 0.00 55.95 54.58 1itw s SER 87 Cb -0.30 -1.91 -0.12 0.00 0.21 0.00 0.00 66.02 63.91 1itw s SER 87 CO 0.33 -0.38 1.62 0.00 0.41 0.00 0.00 173.24 175.22 1itw n ALA 88 N 3.46 2.55 -2.02 1.44 0.00 -1.22 -4.47 120.51 120.24 1itw n ALA 88 Ca 0.10 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.66 1itw n ALA 88 Cb 0.39 -2.47 0.05 0.00 0.00 0.00 0.00 19.45 17.42 1itw n ALA 88 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1itw s SER 89 N 0.64 5.25 0.25 0.00 1.04 -1.26 -0.41 113.70 119.21 1itw s SER 89 Ca 0.67 0.52 -0.06 0.00 0.48 0.00 0.00 55.95 57.56 1itw s SER 89 Cb -0.51 -1.38 0.26 0.00 0.10 0.00 0.00 66.02 64.50 1itw s SER 89 CO 0.45 -1.28 1.92 0.58 0.98 0.00 0.00 173.24 175.90 1itw h VAL 90 N -0.30 1.25 -0.94 5.02 2.07 -1.99 -0.78 116.25 120.57 1itw h VAL 90 Ca -0.45 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1itw h VAL 90 Cb 1.28 -0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1itw h VAL 90 CO 0.60 0.24 0.62 -0.65 0.02 0.00 0.00 177.57 178.40 1itw h PRO 91 N 1.33 1.24 -0.36 1.57 0.11 -1.99 0.62 132.00 134.52 1itw h PRO 91 Ca 0.37 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 66.29 1itw h PRO 91 Cb -0.14 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 30.68 1itw h PRO 91 CO -0.08 0.83 -0.18 1.96 -0.21 0.00 0.00 178.00 180.31 1itw h GLN 92 N 1.28 0.76 -0.21 1.05 4.20 -1.79 -1.18 115.11 119.22 1itw h GLN 92 Ca 0.35 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.75 1itw h GLN 92 Cb -0.15 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1itw h GLN 92 CO -0.07 0.95 0.03 1.25 -0.67 0.00 0.00 178.83 180.32 1itw h LEU 93 N 0.55 -0.01 -0.81 1.46 5.85 -0.57 -0.08 115.31 121.70 1itw h LEU 93 Ca 0.08 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1itw h LEU 93 Cb 0.73 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1itw h LEU 93 CO 0.05 0.02 0.29 0.11 -0.34 0.00 0.00 178.44 178.57 1itw h LYS 94 N 0.11 1.16 -0.66 1.25 1.57 -0.84 -0.79 116.57 118.36 1itw h LYS 94 Ca 0.10 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1itw h LYS 94 Cb 0.10 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1itw h LYS 94 CO -0.14 0.96 0.28 0.00 -0.57 0.00 0.00 179.45 179.99 1itw h ALA 95 N 1.18 0.86 -0.40 3.86 0.00 -0.74 0.56 119.26 124.58 1itw h ALA 95 Ca 0.25 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1itw h ALA 95 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1itw h ALA 95 CO -0.02 0.46 -0.14 0.00 0.00 0.00 0.00 179.25 179.55 1itw h ALA 96 N 1.13 0.56 -0.27 0.00 0.00 -0.74 -1.34 119.26 118.59 1itw h ALA 96 Ca 0.22 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1itw h ALA 96 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1itw h ALA 96 CO -0.02 0.47 0.16 0.82 0.00 0.00 0.00 179.25 180.67 1itw h ILE 97 N 0.61 1.11 -0.43 0.00 2.04 -0.87 -1.81 117.51 118.15 1itw h ILE 97 Ca 0.10 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1itw h ILE 97 Cb 0.68 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1itw h ILE 97 CO 0.05 0.11 0.23 0.50 0.00 0.00 0.00 178.15 179.03 1itw h LYS 98 N 0.33 0.44 -0.47 2.37 3.64 -0.76 -0.81 116.57 121.33 1itw h LYS 98 Ca 0.10 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1itw h LYS 98 Cb 0.04 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1itw h LYS 98 CO -0.02 0.29 0.26 1.49 -2.27 0.00 0.00 179.45 179.21 1itw h GLU 99 N 0.46 0.51 -0.72 1.90 4.81 -1.02 -0.65 114.58 119.86 1itw h GLU 99 Ca 0.18 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1itw h GLU 99 Cb 0.07 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1itw h GLU 99 CO -0.11 0.33 0.25 -0.07 -0.73 0.00 0.00 179.01 178.68 1itw h LEU 100 N 0.52 1.03 -0.77 1.64 3.38 -0.98 -1.60 115.31 118.54 1itw h LEU 100 Ca 0.19 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1itw h LEU 100 Cb 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1itw h LEU 100 CO -0.11 0.96 0.29 1.56 0.09 0.00 0.00 178.44 181.23 1itw h GLN 101 N 1.06 1.17 0.00 1.13 4.20 -0.72 0.49 115.11 122.43 1itw h GLN 101 Ca 0.24 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1itw h GLN 101 Cb 0.28 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1itw h GLN 101 CO -0.01 0.96 -0.16 1.96 -0.67 0.00 0.00 178.83 180.91 1itw h GLN 102 N 1.13 0.00 -0.06 1.46 4.20 -0.73 -0.64 115.11 120.47 1itw h GLN 102 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1itw h GLN 102 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1itw h GLN 102 CO -0.02 0.16 0.00 1.04 -0.67 0.00 0.00 178.83 179.34 1itw n GLN 103 N -3.76 1.45 -0.03 1.46 6.02 -0.50 -4.91 117.38 117.12 1itw n GLN 103 Ca -0.02 -0.67 0.00 0.00 -0.01 0.00 0.00 57.00 56.30 1itw n GLN 103 Cb 0.27 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1itw n GLN 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1itw n GLY 104 N 1.07 0.58 3.57 1.08 0.00 -0.25 -5.05 105.19 106.19 1itw n GLY 104 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1itw n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1itw s TYR 105 N -2.06 3.00 -0.20 1.61 1.51 0.05 -4.93 117.35 116.34 1itw s TYR 105 Ca 0.00 0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 56.45 1itw s TYR 105 Cb 0.00 -3.74 -0.19 0.00 -0.11 0.00 0.00 41.96 37.92 1itw s TYR 105 CO 0.00 -0.96 2.87 1.63 -1.11 0.00 0.00 175.55 177.98 1itw n LYS 106 N 6.86 1.76 -2.27 -0.62 5.02 -1.26 -3.45 118.16 124.21 1itw n LYS 106 Ca 0.05 -0.94 -0.37 0.00 -2.02 0.00 0.00 58.31 55.03 1itw n LYS 106 Cb 0.48 -2.00 -0.01 0.00 -0.02 0.00 0.00 35.03 33.48 1itw n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1itw s LEU 107 N 0.02 4.03 0.59 -0.35 1.43 -1.26 -4.86 118.68 118.28 1itw s LEU 107 Ca 0.52 2.31 -0.17 0.00 -1.03 0.00 0.00 54.13 55.76 1itw s LEU 107 Cb 0.23 -4.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 1itw s LEU 107 CO -0.01 -0.88 1.07 -2.16 0.23 0.00 0.00 176.35 174.60 1itw s PRO 108 N -2.65 3.29 0.76 1.29 0.04 -1.26 -4.96 135.00 131.51 1itw s PRO 108 Ca 0.63 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1itw s PRO 108 Cb -0.29 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.29 1itw s PRO 108 CO 0.35 -0.85 1.12 -0.51 0.04 0.00 0.00 177.00 177.15 1itw s ASP 109 N -2.54 4.36 -0.33 6.66 1.01 -1.26 -4.96 116.67 119.62 1itw s ASP 109 Ca 0.66 1.98 -0.27 0.00 0.71 0.00 0.00 52.55 55.63 1itw s ASP 109 Cb -0.18 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.22 1itw s ASP 109 CO 0.34 -2.13 0.97 -0.47 0.21 0.00 0.00 175.17 174.09 1itw s TYR 110 N -2.63 3.15 -0.48 4.23 5.04 -1.26 -4.91 117.35 120.49 1itw s TYR 110 Ca 0.65 1.02 -0.20 0.00 -2.44 0.00 0.00 57.07 56.09 1itw s TYR 110 Cb -0.20 -3.56 0.04 0.00 0.35 0.00 0.00 41.96 38.59 1itw s TYR 110 CO 0.52 -0.73 0.65 -1.25 -1.34 0.00 0.00 175.55 173.40 1itw s PRO 111 N 3.44 3.19 0.37 4.97 0.04 -1.26 -4.92 135.00 140.83 1itw s PRO 111 Ca 0.41 -0.64 0.11 0.00 0.04 0.00 0.00 61.00 60.91 1itw s PRO 111 Cb -0.13 -4.03 0.71 0.00 0.04 0.00 0.00 34.50 31.09 1itw s PRO 111 CO 0.15 -1.15 1.84 0.93 0.04 0.00 0.00 177.00 178.81 1itw h GLU 112 N 8.97 0.10 -2.66 4.56 5.08 -1.97 -3.34 114.58 125.32 1itw h GLU 112 Ca -0.27 -0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 57.46 1itw h GLU 112 Cb 1.09 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.94 1itw h GLU 112 CO 0.94 0.40 -0.81 0.39 -1.00 0.00 0.00 179.01 178.93 1itw n GLU 113 N -4.15 0.91 -1.74 2.33 1.02 -1.26 -5.11 120.64 112.63 1itw n GLU 113 Ca -0.02 -3.74 -0.42 0.00 -0.02 0.00 0.00 57.16 52.96 1itw n GLU 113 Cb 0.37 -1.93 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 1itw n GLU 113 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1itw s PRO 114 N -0.63 4.12 0.00 3.49 0.02 -1.25 -4.92 135.00 135.83 1itw s PRO 114 Ca 0.30 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.92 1itw s PRO 114 Cb 0.01 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1itw s PRO 114 CO -0.18 -0.72 0.52 1.63 -0.33 0.00 0.00 177.00 177.92 1itw n LYS 115 N 3.43 0.61 -4.16 5.54 4.76 -1.26 -4.88 118.16 122.21 1itw n LYS 115 Ca 0.13 -0.64 -0.13 0.00 -2.87 0.00 0.00 58.31 54.80 1itw n LYS 115 Cb 0.36 -0.70 -0.11 0.00 -1.84 0.00 0.00 35.03 32.74 1itw n LYS 115 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1itw s THR 116 N -0.25 0.82 0.28 -0.18 -4.23 -1.26 -5.04 115.64 105.77 1itw s THR 116 Ca 0.00 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1itw s THR 116 Cb 0.00 -1.38 0.28 0.00 1.34 0.00 0.00 72.50 72.74 1itw s THR 116 CO 0.00 -0.64 1.81 0.44 -0.54 0.00 0.00 174.62 175.68 1itw h ASP 117 N 3.47 0.81 -0.20 3.99 3.45 -1.99 0.11 116.42 126.06 1itw h ASP 117 Ca -0.36 0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.13 1itw h ASP 117 Cb 1.18 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.86 1itw h ASP 117 CO 0.55 0.39 -0.00 0.74 -1.57 0.00 0.00 179.24 179.35 1itw h THR 118 N 0.86 1.26 -0.72 0.35 2.02 -1.99 -1.72 112.91 112.97 1itw h THR 118 Ca 0.51 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1itw h THR 118 Cb 0.61 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1itw h THR 118 CO -0.31 0.27 0.26 -0.33 0.37 0.00 0.00 175.52 175.77 1itw h GLU 119 N 0.11 1.08 -0.36 6.66 5.08 -1.78 -0.50 114.58 124.87 1itw h GLU 119 Ca 0.06 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1itw h GLU 119 Cb 0.40 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1itw h GLU 119 CO 0.01 0.90 0.14 0.87 -1.00 0.00 0.00 179.01 179.93 1itw h LYS 120 N 1.05 0.54 -0.39 2.33 1.57 -0.90 0.21 116.57 120.98 1itw h LYS 120 Ca 0.24 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1itw h LYS 120 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1itw h LYS 120 CO -0.01 0.52 0.19 0.22 -0.57 0.00 0.00 179.45 179.80 1itw h ASP 121 N 0.43 0.51 -0.22 0.86 1.82 -1.11 -2.11 116.42 116.60 1itw h ASP 121 Ca 0.12 -0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1itw h ASP 121 Cb 0.19 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 1itw h ASP 121 CO -0.01 0.49 0.09 0.58 -1.61 0.00 0.00 179.24 178.78 1itw h VAL 122 N 0.49 1.17 -0.81 2.25 2.07 -0.82 -2.48 116.25 118.11 1itw h VAL 122 Ca 0.13 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1itw h VAL 122 Cb 0.12 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1itw h VAL 122 CO -0.02 0.17 0.38 0.50 0.02 0.00 0.00 177.57 178.62 1itw h LYS 123 N 0.21 1.18 -0.82 1.57 3.64 -0.54 -1.06 116.57 120.75 1itw h LYS 123 Ca 0.07 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1itw h LYS 123 Cb 0.18 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1itw h LYS 123 CO -0.01 0.91 0.54 0.00 -2.27 0.00 0.00 179.45 178.63 1itw h ALA 124 N 1.20 1.06 -0.28 5.00 0.00 -1.27 0.10 119.26 125.08 1itw h ALA 124 Ca 0.28 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1itw h ALA 124 Cb 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1itw h ALA 124 CO -0.03 0.42 -0.31 0.00 0.00 0.00 0.00 179.25 179.32 1itw h ARG 125 N 1.08 0.71 -0.41 0.00 3.08 -1.07 -3.02 114.38 114.75 1itw h ARG 125 Ca 0.31 -0.38 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1itw h ARG 125 Cb -0.08 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1itw h ARG 125 CO -0.08 1.00 0.02 1.88 -1.07 0.00 0.00 179.97 181.72 1itw h TYR 126 N 0.44 0.66 0.00 3.04 0.99 -0.88 -2.60 116.97 118.62 1itw h TYR 126 Ca 0.04 -0.07 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 1itw h TYR 126 Cb 0.88 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 38.42 1itw h TYR 126 CO 0.07 0.62 -0.19 -0.44 -0.00 0.00 0.00 178.16 178.23 1itw h ASP 127 N 0.61 0.00 1.47 3.88 3.32 -0.71 -1.33 116.42 123.67 1itw h ASP 127 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1itw h ASP 127 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1itw h ASP 127 CO 0.01 0.19 0.00 0.11 -1.72 0.00 0.00 179.24 177.83 1itw h LYS 128 N 0.00 0.00 0.07 3.56 1.57 -1.34 -3.26 116.57 117.16 1itw h LYS 128 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1itw h LYS 128 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1itw h LYS 128 CO 0.02 0.00 -1.77 0.82 -0.57 0.00 0.00 179.45 177.96 1itw h ILE 129 N 0.00 0.84 -4.27 1.86 1.08 -1.23 -3.45 117.51 112.34 1itw h ILE 129 Ca 0.00 -2.60 -0.46 0.00 -0.39 0.00 0.00 64.86 61.41 1itw h ILE 129 Cb 0.74 2.52 0.13 0.00 -3.07 0.00 0.00 36.82 37.14 1itw h ILE 129 CO 0.00 0.70 0.37 -1.59 -0.69 0.00 0.00 178.15 176.94 1itw s LYS 130 N -2.59 1.13 2.26 2.37 -2.85 -0.88 -4.67 119.74 114.52 1itw s LYS 130 Ca -0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 1itw s LYS 130 Cb 0.07 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 1itw s LYS 130 CO 0.81 -2.14 0.00 0.41 0.10 0.00 0.00 175.35 174.53 1itw n GLY 131 N -3.02 -0.74 3.43 0.59 0.00 0.45 -4.31 105.19 101.58 1itw n GLY 131 Ca 0.10 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1itw n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1itw n SER 132 N -0.99 4.94 0.03 1.61 2.88 -1.26 -3.44 113.62 117.39 1itw n SER 132 Ca 0.00 -2.94 0.03 0.00 -1.33 0.00 0.00 58.87 54.63 1itw n SER 132 Cb 0.00 -1.67 -0.08 0.00 -0.75 0.00 0.00 64.21 61.71 1itw n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1itw n ALA 133 N 7.08 2.13 -0.08 -1.46 0.00 -1.26 -4.55 120.51 122.37 1itw n ALA 133 Ca 0.45 -0.53 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 1itw n ALA 133 Cb 0.44 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.86 1itw n ALA 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1itw h VAL 134 N 0.00 1.43 -0.66 0.00 2.07 -1.92 -3.38 116.25 113.80 1itw h VAL 134 Ca -0.14 -2.22 0.11 0.00 0.82 0.00 0.00 66.70 65.27 1itw h VAL 134 Cb 1.43 2.85 -0.08 0.00 -1.52 0.00 0.00 31.29 33.98 1itw h VAL 134 CO 0.03 0.49 0.24 0.78 0.02 0.00 0.00 177.57 179.13 1itw h ASN 135 N -1.00 0.23 -0.03 0.57 2.35 -1.98 -1.44 115.58 114.28 1itw h ASN 135 Ca -0.10 0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1itw h ASN 135 Cb 1.04 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 1itw h ASN 135 CO -0.06 0.12 0.03 -0.65 -1.65 0.00 0.00 177.43 175.22 1itw h PRO 136 N 0.41 0.00 0.17 0.81 0.11 -1.80 -0.72 132.00 130.98 1itw h PRO 136 Ca 0.34 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.15 1itw h PRO 136 Cb 0.46 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.58 1itw h PRO 136 CO -0.34 0.00 -1.47 0.28 -0.21 0.00 0.00 178.00 176.25 1itw h VAL 137 N 0.00 1.09 0.00 3.15 2.07 -1.45 -3.39 116.25 117.72 1itw h VAL 137 Ca 0.01 -2.50 -0.21 0.00 0.82 0.00 0.00 66.70 64.82 1itw h VAL 137 Cb 0.07 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1itw h VAL 137 CO -0.00 0.78 -1.05 -0.07 0.02 0.00 0.00 177.57 177.25 1itw h LEU 138 N -0.09 0.00 -6.12 2.57 3.38 -1.09 -3.41 115.31 110.54 1itw h LEU 138 Ca -0.29 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.99 1itw h LEU 138 Cb 1.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 1itw h LEU 138 CO 0.15 0.95 2.88 0.54 0.09 0.00 0.00 178.44 183.05 1itw n ARG 139 N -3.29 2.43 -1.50 1.13 1.74 -0.31 -4.65 116.66 112.21 1itw n ARG 139 Ca -0.02 -2.34 -0.34 0.00 -0.77 0.00 0.00 57.85 54.38 1itw n ARG 139 Cb 0.93 -3.15 0.05 0.00 -1.02 0.00 0.00 32.46 29.27 1itw n ARG 139 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1itw n GLU 140 N 6.31 2.60 -3.88 5.56 -0.58 -1.26 -3.29 120.64 126.09 1itw n GLU 140 Ca 0.52 -3.12 -0.02 0.00 -0.42 0.00 0.00 57.16 54.11 1itw n GLU 140 Cb 0.39 -2.20 0.01 0.00 -0.57 0.00 0.00 31.44 29.07 1itw n GLU 140 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1itw s GLY 141 N -1.20 0.05 0.63 0.62 0.00 -1.26 -1.47 107.32 104.69 1itw s GLY 141 Ca 0.57 -0.23 0.05 0.00 0.00 0.00 0.00 44.72 45.10 1itw s GLY 141 CO -0.17 2.53 0.87 -1.31 0.00 0.00 0.00 173.10 175.01 1itw s ASN 142 N -3.40 4.81 -0.19 1.64 0.01 -1.26 -2.36 114.94 114.20 1itw s ASN 142 Ca 0.22 -0.57 -0.05 0.00 -0.71 0.00 0.00 52.86 51.75 1itw s ASN 142 Cb -0.02 0.05 -0.03 0.00 0.41 0.00 0.00 41.25 41.66 1itw s ASN 142 CO 0.04 -1.53 0.00 -0.55 -1.51 0.00 0.00 177.10 173.56 1itw s SER 143 N -4.67 4.99 -0.56 -1.22 0.15 0.11 -3.70 113.70 108.81 1itw s SER 143 Ca 0.63 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 57.17 1itw s SER 143 Cb -0.06 -1.84 0.14 0.00 -1.71 0.00 0.00 66.02 62.55 1itw s SER 143 CO 0.41 0.11 0.33 -0.62 1.20 0.00 0.00 173.24 174.67 1itw s ASP 144 N 0.71 4.69 -0.20 5.45 2.15 -0.14 -0.54 116.67 128.79 1itw s ASP 144 Ca 0.00 -2.93 -0.02 0.00 0.43 0.00 0.00 52.55 50.03 1itw s ASP 144 Cb -0.14 -1.72 -0.00 0.00 -0.30 0.00 0.00 42.92 40.75 1itw s ASP 144 CO 0.02 -0.29 -0.09 -0.60 -0.17 0.00 0.00 175.17 174.04 1itw s ARG 145 N -0.17 3.28 0.01 4.34 3.52 -0.89 -1.25 118.95 127.78 1itw s ARG 145 Ca 0.17 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.80 1itw s ARG 145 Cb -0.23 -2.85 0.07 0.00 -1.56 0.00 0.00 34.95 30.38 1itw s ARG 145 CO -0.02 -0.15 0.68 -0.98 -0.81 0.00 0.00 175.30 174.03 1itw s ARG 146 N 1.29 1.09 0.30 5.12 1.70 -0.61 -2.04 118.95 125.80 1itw s ARG 146 Ca 0.03 0.02 -0.27 0.00 -0.47 0.00 0.00 55.73 55.05 1itw s ARG 146 Cb -0.14 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.65 1itw s ARG 146 CO -0.05 -0.39 0.94 0.00 -1.08 0.00 0.00 175.30 174.73 1itw s ALA 147 N -1.99 3.24 0.71 7.88 0.00 -1.26 -0.51 121.76 129.83 1itw s ALA 147 Ca -0.06 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 1itw s ALA 147 Cb -0.00 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.96 1itw s ALA 147 CO 0.02 0.18 1.12 -2.14 0.00 0.00 0.00 175.76 174.95 1itw s PRO 148 N -1.84 2.45 0.31 0.00 0.02 -1.26 -4.83 135.00 129.86 1itw s PRO 148 Ca 0.48 1.41 0.02 0.00 0.02 0.00 0.00 61.00 62.93 1itw s PRO 148 Cb -0.20 -1.90 0.57 0.00 0.02 0.00 0.00 34.50 32.98 1itw s PRO 148 CO 0.26 -1.53 1.92 1.25 -0.33 0.00 0.00 177.00 178.57 1itw h LEU 149 N -0.40 0.86 -0.59 -5.54 5.85 -1.99 -1.71 115.31 111.78 1itw h LEU 149 Ca -0.46 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.32 1itw h LEU 149 Cb 1.25 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 1itw h LEU 149 CO 0.52 0.55 0.32 0.77 -0.34 0.00 0.00 178.44 180.26 1itw h SER 150 N 0.98 0.48 -0.32 1.25 4.64 -1.99 0.69 113.55 119.27 1itw h SER 150 Ca 0.38 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.62 1itw h SER 150 Cb 0.22 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1itw h SER 150 CO -0.14 0.32 -0.22 0.58 -0.87 0.00 0.00 176.83 176.50 1itw h VAL 151 N 0.61 1.29 -0.07 0.95 2.07 -1.74 -1.73 116.25 117.63 1itw h VAL 151 Ca 0.26 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1itw h VAL 151 Cb 0.15 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1itw h VAL 151 CO -0.16 0.44 0.04 0.50 0.02 0.00 0.00 177.57 178.40 1itw h LYS 152 N 0.47 0.09 -0.71 1.57 1.63 -0.95 -1.14 116.57 117.53 1itw h LYS 152 Ca 0.06 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1itw h LYS 152 Cb 0.77 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.35 1itw h LYS 152 CO 0.06 0.11 0.42 -0.91 -3.45 0.00 0.00 179.45 175.68 1itw h ASN 153 N 0.04 0.85 -0.54 4.20 2.35 -0.86 -1.11 115.58 120.51 1itw h ASN 153 Ca 0.02 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 1itw h ASN 153 Cb 0.05 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1itw h ASN 153 CO -0.00 0.66 -0.07 0.22 -1.65 0.00 0.00 177.43 176.58 1itw h TYR 154 N 0.98 1.13 -0.61 1.19 3.20 -1.02 -2.37 116.97 119.47 1itw h TYR 154 Ca 0.25 -0.22 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1itw h TYR 154 Cb -0.03 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 1itw h TYR 154 CO 0.00 1.03 0.13 0.00 -1.64 0.00 0.00 178.16 177.68 1itw h ALA 155 N 0.99 0.80 -0.98 1.82 0.00 -0.61 0.11 119.26 121.39 1itw h ALA 155 Ca 0.15 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1itw h ALA 155 Cb 0.62 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1itw h ALA 155 CO 0.04 0.53 0.63 0.00 0.00 0.00 0.00 179.25 180.45 1itw h ARG 156 N 0.90 1.13 0.00 0.00 3.08 -0.98 -2.05 114.38 116.46 1itw h ARG 156 Ca 0.19 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1itw h ARG 156 Cb 0.38 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1itw h ARG 156 CO 0.01 0.75 -0.70 0.87 -1.07 0.00 0.00 179.97 179.83 1itw h LYS 157 N 1.16 0.00 -2.22 0.04 1.57 -1.11 -3.40 116.57 112.61 1itw h LYS 157 Ca 0.42 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.61 1itw h LYS 157 Cb 0.14 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.05 1itw h LYS 157 CO -0.17 0.28 -0.85 0.72 -0.57 0.00 0.00 179.45 178.87 1itw n HIS 158 N -3.04 1.45 -1.63 -1.35 8.25 0.36 -5.10 115.22 114.15 1itw n HIS 158 Ca -0.01 -3.83 -0.50 0.00 -0.26 0.00 0.00 57.72 53.12 1itw n HIS 158 Cb 0.69 -0.39 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 1itw n HIS 158 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1itw n PRO 159 N 1.41 1.58 -2.19 -0.41 -0.02 -0.82 -4.65 135.00 129.89 1itw n PRO 159 Ca 0.25 0.57 -0.27 0.00 -2.02 0.00 0.00 63.50 62.03 1itw n PRO 159 Cb 0.46 -2.28 0.05 0.00 -0.02 0.00 0.00 33.50 31.72 1itw n PRO 159 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1itw s HIS 160 N 1.00 3.09 0.25 6.00 -3.43 -1.26 -5.02 115.29 115.92 1itw s HIS 160 Ca 0.83 0.62 -0.30 0.00 -0.80 0.00 0.00 55.06 55.42 1itw s HIS 160 Cb -0.84 -3.05 -0.09 0.00 -1.43 0.00 0.00 32.58 27.16 1itw s HIS 160 CO 0.45 -1.22 1.12 0.15 -2.00 0.00 0.00 174.74 173.24 1itw s LYS 161 N -5.21 4.60 -0.09 -0.38 1.02 -1.26 -4.95 119.74 113.47 1itw s LYS 161 Ca 0.58 1.82 0.01 0.00 0.02 0.00 0.00 55.97 58.39 1itw s LYS 161 Cb -0.11 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.02 1itw s LYS 161 CO 0.46 0.13 -0.10 -1.64 -0.92 0.00 0.00 175.35 173.28 1itw s MET 162 N -1.11 1.67 0.27 1.68 -1.94 -1.26 -5.00 119.30 113.60 1itw s MET 162 Ca 0.47 -0.35 -0.30 0.00 -1.71 0.00 0.00 55.69 53.79 1itw s MET 162 Cb -0.32 -1.53 -0.11 0.00 2.01 0.00 0.00 34.83 34.88 1itw s MET 162 CO 0.40 -0.12 1.55 0.20 -0.01 0.00 0.00 175.02 177.04 1itw s GLY 163 N 1.16 2.14 0.43 -0.03 0.00 -0.23 -4.95 107.32 105.84 1itw s GLY 163 Ca -0.05 1.49 -0.25 0.00 0.00 0.00 0.00 44.72 45.91 1itw s GLY 163 CO -0.02 2.48 1.27 0.00 0.00 0.00 0.00 173.10 176.82 1itw s ALA 164 N 0.05 3.15 -0.08 3.20 0.00 -1.26 -4.09 121.76 122.73 1itw s ALA 164 Ca 0.62 1.15 -0.00 0.00 0.00 0.00 0.00 51.96 53.74 1itw s ALA 164 Cb -0.46 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 1itw s ALA 164 CO 0.46 -0.81 -0.06 -1.58 0.00 0.00 0.00 175.76 173.76 1itw s TRP 165 N -1.34 2.97 -0.07 0.00 0.52 -1.26 -4.43 118.94 115.33 1itw s TRP 165 Ca 0.60 -0.03 -0.01 0.00 0.02 0.00 0.00 56.10 56.67 1itw s TRP 165 Cb -0.36 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 1itw s TRP 165 CO 0.45 0.27 0.00 0.45 0.02 0.00 0.00 176.95 178.14 1itw s SER 166 N -0.61 5.20 0.34 2.95 0.15 -1.26 -4.74 113.70 115.73 1itw s SER 166 Ca 0.09 0.11 0.26 0.00 0.70 0.00 0.00 55.95 57.12 1itw s SER 166 Cb -0.12 -1.44 1.12 0.00 -1.71 0.00 0.00 66.02 63.88 1itw s SER 166 CO 0.02 0.36 1.79 0.00 1.20 0.00 0.00 173.24 176.60 1itw h ALA 167 N 4.98 1.00 -0.41 5.45 0.00 -1.90 -2.12 119.26 126.25 1itw h ALA 167 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1itw h ALA 167 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1itw h ALA 167 CO 0.55 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.55 1itw n ASP 168 N -2.45 2.49 -4.70 0.00 8.00 -1.26 -4.95 116.55 113.67 1itw n ASP 168 Ca 0.01 -1.95 -0.43 0.00 0.71 0.00 0.00 54.79 53.14 1itw n ASP 168 Cb 0.23 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 1itw n ASP 168 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1itw n SER 169 N 0.86 2.95 -0.94 -2.24 2.88 -0.80 -4.89 113.62 111.44 1itw n SER 169 Ca 0.16 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 59.02 1itw n SER 169 Cb 0.41 -1.50 0.21 0.00 -0.75 0.00 0.00 64.21 62.59 1itw n SER 169 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1itw n LYS 170 N 0.92 2.27 -2.40 -1.46 5.02 -1.26 -4.97 118.16 116.28 1itw n LYS 170 Ca 0.06 -1.87 -0.36 0.00 -2.02 0.00 0.00 58.31 54.12 1itw n LYS 170 Cb 0.36 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 1itw n LYS 170 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1itw s SER 171 N -1.79 6.25 0.02 4.39 0.01 -1.26 -4.72 113.70 116.61 1itw s SER 171 Ca 0.33 2.12 -0.29 0.00 1.31 0.00 0.00 55.95 59.42 1itw s SER 171 Cb 0.21 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.96 1itw s SER 171 CO 0.31 -0.85 1.17 -1.38 0.41 0.00 0.00 173.24 172.90 1itw s HIS 172 N -1.73 -0.08 -0.10 2.43 -3.43 -0.98 -4.97 115.29 106.43 1itw s HIS 172 Ca 0.65 -0.08 -0.09 0.00 -0.80 0.00 0.00 55.06 54.74 1itw s HIS 172 Cb -0.23 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.45 1itw s HIS 172 CO 0.27 -0.44 0.21 0.08 -2.00 0.00 0.00 174.74 172.86 1itw s VAL 173 N -2.70 5.38 -0.18 -5.38 1.01 -1.26 -0.59 120.40 116.67 1itw s VAL 173 Ca 0.13 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1itw s VAL 173 Cb 0.02 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1itw s VAL 173 CO -0.02 0.59 -0.11 0.00 0.00 0.00 0.00 175.10 175.56 1itw s ALA 174 N -0.90 2.62 0.15 5.51 0.00 0.15 -4.88 121.76 124.41 1itw s ALA 174 Ca 0.17 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1itw s ALA 174 Cb -0.13 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1itw s ALA 174 CO 0.06 -0.18 -0.02 -3.38 0.00 0.00 0.00 175.76 172.24 1itw s HIS 175 N 1.05 1.15 0.77 0.00 -3.43 -1.26 -1.49 115.29 112.08 1itw s HIS 175 Ca -0.00 -0.97 -0.11 0.00 -0.80 0.00 0.00 55.06 53.18 1itw s HIS 175 Cb -0.15 -0.65 0.06 0.00 -1.43 0.00 0.00 32.58 30.41 1itw s HIS 175 CO -0.02 -0.16 1.10 -1.64 -2.00 0.00 0.00 174.74 172.01 1itw s MET 176 N -3.88 2.23 -0.01 -0.38 -1.94 0.25 -4.97 119.30 110.61 1itw s MET 176 Ca 0.20 1.23 0.16 0.00 -1.71 0.00 0.00 55.69 55.58 1itw s MET 176 Cb 0.05 -1.89 -0.21 0.00 2.01 0.00 0.00 34.83 34.80 1itw s MET 176 CO 0.02 -1.67 0.55 -0.25 -0.01 0.00 0.00 175.02 173.65 1itw n ASP 177 N -3.43 0.95 -3.71 3.03 8.00 -1.26 -4.70 116.55 115.44 1itw n ASP 177 Ca 0.09 -0.51 -0.02 0.00 0.71 0.00 0.00 54.79 55.07 1itw n ASP 177 Cb 0.53 1.32 -0.01 0.00 -0.02 0.00 0.00 41.12 42.94 1itw n ASP 177 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1itw s ASN 178 N -3.10 -0.14 -0.07 -2.24 4.22 -1.26 -4.99 114.94 107.36 1itw s ASN 178 Ca 0.01 -0.32 0.00 0.00 -2.14 0.00 0.00 52.86 50.41 1itw s ASN 178 Cb 0.11 0.39 0.00 0.00 1.28 0.00 0.00 41.25 43.03 1itw s ASN 178 CO 0.67 -0.71 0.00 0.61 -2.04 0.00 0.00 177.10 175.63 1itw n GLY 179 N -0.47 0.43 3.97 0.45 0.00 -1.26 -4.89 105.19 103.42 1itw n GLY 179 Ca -0.07 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1itw n GLY 179 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1itw n ASP 180 N -0.05 2.42 -0.26 1.61 5.75 -1.26 -0.35 116.55 124.42 1itw n ASP 180 Ca -0.01 -2.72 -0.05 0.00 -0.01 0.00 0.00 54.79 51.99 1itw n ASP 180 Cb 0.12 -0.28 0.05 0.00 -1.03 0.00 0.00 41.12 39.99 1itw n ASP 180 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 1itw h PHE 181 N 0.33 0.96 -0.46 2.11 -1.00 -1.94 -2.91 116.94 114.03 1itw h PHE 181 Ca -0.31 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.53 1itw h PHE 181 Cb 1.29 -0.31 -0.06 0.00 3.61 0.00 0.00 35.95 40.48 1itw h PHE 181 CO 0.00 0.66 0.13 -0.92 -1.61 0.00 0.00 178.31 176.57 1itw h TYR 182 N 0.97 0.22 0.00 -0.55 3.20 -1.95 -2.35 116.97 116.50 1itw h TYR 182 Ca 0.25 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1itw h TYR 182 Cb 0.01 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1itw h TYR 182 CO -0.01 0.05 0.00 0.41 -1.64 0.00 0.00 178.16 176.97 1itw n GLY 183 N -1.26 -1.34 0.30 1.82 0.00 -1.11 -3.48 105.19 100.12 1itw n GLY 183 Ca 0.04 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.07 1itw n GLY 183 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1itw n SER 184 N -1.84 2.04 -4.74 1.61 3.41 -1.00 -4.95 113.62 108.16 1itw n SER 184 Ca 0.04 -1.65 -0.42 0.00 -0.26 0.00 0.00 58.87 56.59 1itw n SER 184 Cb 0.28 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1itw n SER 184 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1itw s GLU 185 N -0.77 4.14 -0.00 4.33 2.12 -0.92 -4.51 118.70 123.09 1itw s GLU 185 Ca 0.10 2.56 0.02 0.00 0.36 0.00 0.00 54.97 58.01 1itw s GLU 185 Cb 0.06 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 1itw s GLU 185 CO 0.08 -0.67 -0.06 0.15 -0.54 0.00 0.00 175.26 174.23 1itw s LYS 186 N 0.26 0.45 0.13 4.30 1.02 -0.32 -4.42 119.74 121.14 1itw s LYS 186 Ca 0.68 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.46 1itw s LYS 186 Cb -0.48 -0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 36.37 1itw s LYS 186 CO 0.40 0.11 -0.05 0.00 -0.92 0.00 0.00 175.35 174.90 1itw s ALA 187 N -0.21 1.16 -0.05 5.17 0.00 -1.26 -0.61 121.76 125.96 1itw s ALA 187 Ca 0.01 -1.44 -0.07 0.00 0.00 0.00 0.00 51.96 50.46 1itw s ALA 187 Cb -0.03 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1itw s ALA 187 CO -0.00 -0.24 0.17 0.00 0.00 0.00 0.00 175.76 175.69 1itw s ALA 188 N -3.59 -0.41 -0.32 0.00 0.00 0.02 -4.99 121.76 112.46 1itw s ALA 188 Ca 0.16 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 1itw s ALA 188 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1itw s ALA 188 CO -0.01 -0.13 0.22 -1.17 0.00 0.00 0.00 175.76 174.67 1itw s LEU 189 N -0.38 4.35 0.08 0.00 2.96 -1.26 -2.01 118.68 122.42 1itw s LEU 189 Ca -0.05 -0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 53.22 1itw s LEU 189 Cb -0.03 -2.12 -0.08 0.00 0.50 0.00 0.00 46.19 44.46 1itw s LEU 189 CO 0.01 -0.18 1.54 -0.63 -1.32 0.00 0.00 176.35 175.77 1itw s ILE 190 N 1.72 3.13 -0.03 6.68 -1.09 -0.05 -4.93 121.20 126.63 1itw s ILE 190 Ca 0.06 0.67 -0.21 0.00 -2.23 0.00 0.00 60.65 58.94 1itw s ILE 190 Cb -0.17 -3.43 -0.31 0.00 -1.58 0.00 0.00 42.46 36.97 1itw s ILE 190 CO 0.10 0.02 0.94 1.23 -1.23 0.00 0.00 174.94 176.00 1itw h GLY 191 N 7.86 0.40 -2.97 6.18 0.00 -1.90 0.13 103.07 112.78 1itw h GLY 191 Ca -0.42 -0.97 -0.16 0.00 0.00 0.00 0.00 47.33 45.78 1itw h GLY 191 CO 0.91 0.85 -0.62 0.00 0.00 0.00 0.00 176.54 177.68 1itw s ALA 192 N -2.55 0.68 0.53 3.60 0.00 -1.26 -4.42 121.76 118.35 1itw s ALA 192 Ca -0.13 -1.34 -0.21 0.00 0.00 0.00 0.00 51.96 50.28 1itw s ALA 192 Cb 0.02 0.72 -0.06 0.00 0.00 0.00 0.00 23.12 23.80 1itw s ALA 192 CO 0.85 -0.47 1.11 -2.30 0.00 0.00 0.00 175.76 174.95 1itw n PRO 193 N -0.06 1.31 0.00 0.00 -0.02 -1.26 -4.36 135.00 130.61 1itw n PRO 193 Ca -0.08 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1itw n PRO 193 Cb 0.63 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1itw n PRO 193 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1itw n GLY 194 N 1.07 -0.69 3.48 -1.23 0.00 -0.60 -4.97 105.19 102.25 1itw n GLY 194 Ca 0.11 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1itw n GLY 194 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1itw s SER 195 N -4.00 -0.61 0.23 1.61 1.04 -1.26 -0.72 113.70 110.00 1itw s SER 195 Ca 0.00 0.41 0.11 0.00 0.48 0.00 0.00 55.95 56.95 1itw s SER 195 Cb 0.00 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1itw s SER 195 CO 0.00 -0.74 -0.18 0.68 0.98 0.00 0.00 173.24 173.99 1itw s VAL 196 N -2.21 2.65 -0.08 5.02 -7.23 0.05 -2.40 120.40 116.19 1itw s VAL 196 Ca -0.06 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.01 1itw s VAL 196 Cb -0.00 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 1itw s VAL 196 CO 0.00 -0.26 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.67 1itw s LYS 197 N -3.15 2.82 -0.29 4.82 2.20 0.11 -1.83 119.74 124.44 1itw s LYS 197 Ca 0.26 -0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 55.18 1itw s LYS 197 Cb -0.07 -2.51 0.03 0.00 -1.51 0.00 0.00 37.83 33.77 1itw s LYS 197 CO 0.14 0.52 0.02 0.42 -0.36 0.00 0.00 175.35 176.09 1itw s ILE 198 N -0.44 3.41 0.08 5.43 1.01 -0.54 -1.64 121.20 128.51 1itw s ILE 198 Ca 0.06 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.80 1itw s ILE 198 Cb -0.12 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1itw s ILE 198 CO 0.02 0.06 -0.17 -1.61 0.00 0.00 0.00 174.94 173.24 1itw s GLU 199 N 1.39 0.97 -0.24 2.79 2.02 -0.42 -0.24 118.70 124.98 1itw s GLU 199 Ca -0.00 -1.02 -0.06 0.00 0.02 0.00 0.00 54.97 53.91 1itw s GLU 199 Cb -0.18 -1.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.94 1itw s GLU 199 CO -0.00 0.25 0.02 -1.17 0.02 0.00 0.00 175.26 174.37 1itw s LEU 200 N -1.74 3.19 -0.48 1.80 2.96 0.34 -0.14 118.68 124.61 1itw s LEU 200 Ca 0.02 -0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 53.48 1itw s LEU 200 Cb -0.10 -1.83 0.10 0.00 0.50 0.00 0.00 46.19 44.85 1itw s LEU 200 CO 0.03 -0.03 0.40 -0.63 -1.32 0.00 0.00 176.35 174.80 1itw s ILE 201 N 1.55 4.95 0.94 6.68 -1.09 0.05 -0.64 121.20 133.63 1itw s ILE 201 Ca 0.06 -1.33 -0.12 0.00 -2.23 0.00 0.00 60.65 57.03 1itw s ILE 201 Cb -0.15 -4.06 0.15 0.00 -1.58 0.00 0.00 42.46 36.82 1itw s ILE 201 CO 0.00 -0.68 1.11 0.00 -1.23 0.00 0.00 174.94 174.15 1itw s ALA 202 N 1.56 1.45 0.13 9.38 0.00 -0.19 -1.77 121.76 132.32 1itw s ALA 202 Ca 0.04 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 1itw s ALA 202 Cb -0.26 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1itw s ALA 202 CO 0.04 -2.47 1.47 0.87 0.00 0.00 0.00 175.76 175.67 1itw h LYS 203 N -1.63 0.84 -0.19 0.00 6.56 -1.75 -2.84 116.57 117.56 1itw h LYS 203 Ca -0.52 -0.42 0.00 0.00 -1.06 0.00 0.00 60.65 58.65 1itw h LYS 203 Cb 1.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.98 1itw h LYS 203 CO 0.59 1.06 0.00 -0.40 -2.06 0.00 0.00 179.45 178.64 1itw n ASP 204 N -4.17 0.19 0.00 0.86 5.75 -1.26 -4.75 116.55 113.16 1itw n ASP 204 Ca -0.02 -0.61 0.00 0.00 -0.01 0.00 0.00 54.79 54.14 1itw n ASP 204 Cb 0.49 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1itw n ASP 204 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1itw n GLY 205 N 0.14 1.89 3.31 6.12 0.00 -1.07 -4.99 105.19 110.58 1itw n GLY 205 Ca 0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1itw n GLY 205 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1itw n SER 206 N 1.41 -3.03 -3.97 1.61 2.88 -1.26 -4.60 113.62 106.66 1itw n SER 206 Ca 0.00 0.37 -0.20 0.00 -1.33 0.00 0.00 58.87 57.70 1itw n SER 206 Cb 0.00 -1.07 -0.16 0.00 -0.75 0.00 0.00 64.21 62.23 1itw n SER 206 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1itw s SER 207 N -1.57 1.16 -0.12 -3.46 0.15 -1.26 -1.02 113.70 107.58 1itw s SER 207 Ca 0.54 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1itw s SER 207 Cb -0.25 -0.39 0.02 0.00 -1.71 0.00 0.00 66.02 63.69 1itw s SER 207 CO 0.69 0.03 -0.11 -0.89 1.20 0.00 0.00 173.24 174.16 1itw s THR 208 N 0.41 1.28 -0.24 6.45 2.01 0.19 -4.97 115.64 120.77 1itw s THR 208 Ca -0.06 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 1itw s THR 208 Cb -0.11 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.17 1itw s THR 208 CO 0.01 0.41 1.17 -0.69 -0.69 0.00 0.00 174.62 174.83 1itw s VAL 209 N 1.51 4.40 -0.01 3.82 1.01 -1.26 -0.51 120.40 129.36 1itw s VAL 209 Ca 0.03 1.66 -0.13 0.00 0.00 0.00 0.00 61.98 63.54 1itw s VAL 209 Cb -0.13 -4.20 -0.33 0.00 0.00 0.00 0.00 36.38 31.72 1itw s VAL 209 CO -0.08 -0.29 0.82 -0.07 0.00 0.00 0.00 175.10 175.48 1itw h LEU 210 N 9.96 0.71 -6.28 3.92 3.38 -0.97 -3.45 115.31 122.58 1itw h LEU 210 Ca -0.23 -0.91 -0.10 0.00 0.09 0.00 0.00 57.88 56.73 1itw h LEU 210 Cb 1.08 -0.23 -0.27 0.00 0.09 0.00 0.00 40.66 41.33 1itw h LEU 210 CO 1.00 1.74 -0.45 -0.75 0.09 0.00 0.00 178.44 180.07 1itw s LYS 211 N -2.59 0.43 0.23 1.13 2.20 -1.03 -5.02 119.74 115.09 1itw s LYS 211 Ca -0.13 0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 55.91 1itw s LYS 211 Cb 0.05 -0.16 0.32 0.00 -1.51 0.00 0.00 37.83 36.53 1itw s LYS 211 CO 0.89 -0.80 1.82 0.00 -0.36 0.00 0.00 175.35 176.90 1itw h ALA 212 N 8.12 1.07 -3.51 3.13 0.00 -1.86 -1.44 119.26 124.77 1itw h ALA 212 Ca -0.15 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 1itw h ALA 212 Cb 1.15 -0.15 -0.30 0.00 0.00 0.00 0.00 17.79 18.49 1itw h ALA 212 CO 0.26 0.12 -0.66 0.21 0.00 0.00 0.00 179.25 179.18 1itw s LYS 213 N -6.06 0.05 -0.21 0.00 2.20 -1.26 -4.17 119.74 110.28 1itw s LYS 213 Ca -0.13 0.16 -0.04 0.00 -0.36 0.00 0.00 55.97 55.61 1itw s LYS 213 Cb 0.18 -0.08 0.09 0.00 -1.51 0.00 0.00 37.83 36.51 1itw s LYS 213 CO 0.78 -0.08 0.18 0.99 -0.36 0.00 0.00 175.35 176.85 1itw s THR 214 N 0.51 -0.22 0.35 3.43 2.01 -0.76 -4.95 115.64 116.00 1itw s THR 214 Ca -0.04 -0.26 -0.28 0.00 0.31 0.00 0.00 61.69 61.42 1itw s THR 214 Cb -0.06 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.63 1itw s THR 214 CO -0.02 -0.33 1.36 -0.44 -0.69 0.00 0.00 174.62 174.50 1itw s SER 215 N 2.24 6.63 0.04 3.53 0.01 -1.26 -0.77 113.70 124.12 1itw s SER 215 Ca 0.06 2.79 0.04 0.00 1.31 0.00 0.00 55.95 60.15 1itw s SER 215 Cb -0.16 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.40 1itw s SER 215 CO -0.17 -0.65 -0.12 0.68 0.41 0.00 0.00 173.24 173.40 1itw s VAL 216 N -1.14 0.91 0.27 3.43 -7.23 0.10 -4.90 120.40 111.84 1itw s VAL 216 Ca 0.50 -0.99 0.06 0.00 -1.81 0.00 0.00 61.98 59.74 1itw s VAL 216 Cb -0.42 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 1itw s VAL 216 CO 0.56 -0.12 0.33 -1.10 -0.31 0.00 0.00 175.10 174.46 1itw s GLN 217 N -1.25 3.16 0.34 4.82 -0.21 -1.26 -1.56 119.66 123.70 1itw s GLN 217 Ca -0.02 -0.95 -0.29 0.00 0.02 0.00 0.00 55.36 54.13 1itw s GLN 217 Cb -0.08 -2.74 -0.11 0.00 1.00 0.00 0.00 33.01 31.08 1itw s GLN 217 CO 0.01 0.31 1.39 0.00 -2.12 0.00 0.00 175.29 174.88 1itw s ALA 218 N -2.10 3.54 0.00 6.09 0.00 -1.26 -1.86 121.76 126.18 1itw s ALA 218 Ca 0.37 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1itw s ALA 218 Cb -0.08 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1itw s ALA 218 CO 0.28 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1itw n GLY 219 N 0.83 0.87 3.78 0.00 0.00 0.47 -4.74 105.19 106.41 1itw n GLY 219 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1itw n GLY 219 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1itw s GLU 220 N -0.11 4.27 -0.19 1.61 2.12 -0.78 -4.13 118.70 121.50 1itw s GLU 220 Ca 0.00 1.54 -0.07 0.00 0.36 0.00 0.00 54.97 56.80 1itw s GLU 220 Cb 0.00 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 1itw s GLU 220 CO 0.00 -0.05 0.04 0.42 -0.54 0.00 0.00 175.26 175.13 1itw s ILE 221 N -1.58 4.48 0.04 -3.70 1.01 0.17 -0.87 121.20 120.74 1itw s ILE 221 Ca 0.55 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 61.13 1itw s ILE 221 Cb -0.23 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1itw s ILE 221 CO 0.29 0.44 -0.20 0.27 0.00 0.00 0.00 174.94 175.73 1itw s ILE 222 N 0.68 1.64 -0.01 2.92 -4.36 -0.85 -0.69 121.20 120.53 1itw s ILE 222 Ca 0.02 -1.15 -0.09 0.00 -0.26 0.00 0.00 60.65 59.17 1itw s ILE 222 Cb -0.13 -1.42 0.01 0.00 1.25 0.00 0.00 42.46 42.16 1itw s ILE 222 CO 0.02 0.23 0.19 1.51 0.24 0.00 0.00 174.94 177.13 1itw s ASP 223 N -1.09 -0.06 0.17 4.36 1.47 -0.65 -0.80 116.67 120.07 1itw s ASP 223 Ca 0.07 -0.06 0.11 0.00 1.18 0.00 0.00 52.55 53.85 1itw s ASP 223 Cb -0.09 0.26 -0.04 0.00 -0.34 0.00 0.00 42.92 42.71 1itw s ASP 223 CO 0.01 -0.35 -0.25 -0.94 0.68 0.00 0.00 175.17 174.33 1itw s SER 224 N -1.19 3.32 0.16 2.11 1.04 0.22 -0.63 113.70 118.73 1itw s SER 224 Ca -0.13 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 55.28 1itw s SER 224 Cb -0.06 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 65.88 1itw s SER 224 CO 0.02 0.13 0.54 -0.94 0.98 0.00 0.00 173.24 173.97 1itw s SER 225 N -2.45 -0.43 -0.02 7.02 1.04 -0.66 -1.18 113.70 117.02 1itw s SER 225 Ca 0.18 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.43 1itw s SER 225 Cb -0.09 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1itw s SER 225 CO 0.08 -0.96 0.06 0.54 0.98 0.00 0.00 173.24 173.94 1itw s VAL 226 N -3.78 -0.01 -0.37 5.02 0.11 -1.26 -1.52 120.40 118.58 1itw s VAL 226 Ca 0.03 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 58.98 1itw s VAL 226 Cb -0.00 -0.10 -0.00 0.00 -1.53 0.00 0.00 36.38 34.74 1itw s VAL 226 CO -0.11 0.02 0.32 -0.32 -3.33 0.00 0.00 175.10 171.68 1itw s MET 227 N 0.32 3.37 -0.04 1.54 1.75 0.07 -3.32 119.30 122.99 1itw s MET 227 Ca -0.02 -0.65 -0.30 0.00 -1.25 0.00 0.00 55.69 53.47 1itw s MET 227 Cb -0.04 -3.86 -0.04 0.00 2.84 0.00 0.00 34.83 33.73 1itw s MET 227 CO -0.01 -0.59 1.27 0.45 -0.65 0.00 0.00 175.02 175.50 1itw s SER 228 N 1.73 6.98 0.18 1.11 0.15 0.53 -1.77 113.70 122.60 1itw s SER 228 Ca 0.09 1.92 -0.12 0.00 0.70 0.00 0.00 55.95 58.54 1itw s SER 228 Cb -0.17 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.67 1itw s SER 228 CO 0.11 -0.64 1.77 0.50 1.20 0.00 0.00 173.24 176.19 1itw h LYS 229 N 7.60 0.88 -0.30 5.44 3.64 -1.88 0.07 116.57 132.02 1itw h LYS 229 Ca -0.35 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 1itw h LYS 229 Cb 1.17 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1itw h LYS 229 CO 0.89 0.70 0.08 -0.91 -2.27 0.00 0.00 179.45 177.94 1itw h ASN 230 N 0.85 0.45 -0.38 4.20 2.35 -1.92 -1.58 115.58 119.54 1itw h ASN 230 Ca 0.21 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1itw h ASN 230 Cb 0.10 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1itw h ASN 230 CO -0.03 0.55 -0.02 0.00 -1.65 0.00 0.00 177.43 176.28 1itw h ALA 231 N 0.92 1.09 -0.20 -0.83 0.00 -1.84 -1.63 119.26 116.77 1itw h ALA 231 Ca 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1itw h ALA 231 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1itw h ALA 231 CO -0.00 0.57 -0.00 1.25 0.00 0.00 0.00 179.25 181.07 1itw h LEU 232 N 0.72 0.34 -0.37 0.00 5.85 -0.86 -0.60 115.31 120.39 1itw h LEU 232 Ca 0.14 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1itw h LEU 232 Cb 0.47 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1itw h LEU 232 CO 0.02 0.58 0.24 -0.09 -0.34 0.00 0.00 178.44 178.85 1itw h ARG 233 N 0.10 0.48 -0.55 1.25 2.43 -1.15 0.11 114.38 117.05 1itw h ARG 233 Ca 0.06 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1itw h ARG 233 Cb 0.40 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1itw h ARG 233 CO 0.01 0.32 0.09 -0.91 -1.51 0.00 0.00 179.97 177.97 1itw h ASN 234 N 0.50 0.83 -0.06 -3.80 2.35 -1.25 0.35 115.58 114.50 1itw h ASN 234 Ca 0.14 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1itw h ASN 234 Cb -0.05 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 1itw h ASN 234 CO -0.03 0.84 0.01 0.15 -1.65 0.00 0.00 177.43 176.75 1itw h PHE 235 N 0.84 0.11 -0.32 1.19 3.04 -0.69 -1.81 116.94 119.29 1itw h PHE 235 Ca 0.17 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.13 1itw h PHE 235 Cb 0.37 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1itw h PHE 235 CO 0.02 0.31 0.17 0.82 -2.02 0.00 0.00 178.31 177.61 1itw h ILE 236 N -0.13 1.00 -0.43 1.41 2.04 -0.52 -0.30 117.51 120.58 1itw h ILE 236 Ca 0.02 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1itw h ILE 236 Cb 0.26 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1itw h ILE 236 CO 0.00 0.06 0.18 0.00 0.00 0.00 0.00 178.15 178.39 1itw h ALA 237 N 1.16 0.53 -0.64 1.87 0.00 -0.89 0.07 119.26 121.37 1itw h ALA 237 Ca 0.13 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1itw h ALA 237 Cb 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1itw h ALA 237 CO -0.08 -0.20 0.15 0.00 0.00 0.00 0.00 179.25 179.12 1itw h ALA 238 N 1.26 0.84 -0.11 0.00 0.00 -0.91 -2.49 119.26 117.85 1itw h ALA 238 Ca 0.20 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1itw h ALA 238 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1itw h ALA 238 CO -0.17 0.57 -0.48 0.93 0.00 0.00 0.00 179.25 180.09 1itw h GLU 239 N 0.95 0.27 -0.34 0.00 4.39 -0.71 -1.59 114.58 117.54 1itw h GLU 239 Ca 0.20 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1itw h GLU 239 Cb 0.37 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1itw h GLU 239 CO 0.00 0.70 0.18 0.82 -1.16 0.00 0.00 179.01 179.56 1itw h ILE 240 N 0.22 1.15 -0.51 3.13 2.04 -0.77 -0.97 117.51 121.79 1itw h ILE 240 Ca 0.01 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1itw h ILE 240 Cb 0.94 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1itw h ILE 240 CO 0.08 0.15 0.20 -0.33 0.00 0.00 0.00 178.15 178.25 1itw h GLU 241 N 0.42 0.77 -0.29 2.37 5.08 -1.26 -2.54 114.58 119.14 1itw h GLU 241 Ca 0.12 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1itw h GLU 241 Cb 0.08 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1itw h GLU 241 CO -0.02 0.68 -0.27 0.22 -1.00 0.00 0.00 179.01 178.62 1itw h ASP 242 N 0.69 0.60 -0.60 1.42 1.82 -1.12 -0.37 116.42 118.86 1itw h ASP 242 Ca 0.17 -0.22 -0.07 0.00 -0.39 0.00 0.00 57.03 56.52 1itw h ASP 242 Cb 0.21 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 1itw h ASP 242 CO -0.01 0.85 0.10 0.00 -1.61 0.00 0.00 179.24 178.57 1itw h ALA 243 N 1.19 0.79 -0.48 -0.78 0.00 -1.08 0.09 119.26 118.99 1itw h ALA 243 Ca 0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1itw h ALA 243 Cb 0.74 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1itw h ALA 243 CO 0.06 0.54 0.05 -0.22 0.00 0.00 0.00 179.25 179.68 1itw h LYS 244 N 0.89 0.81 -0.32 0.00 3.64 -1.19 0.35 116.57 120.74 1itw h LYS 244 Ca 0.18 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1itw h LYS 244 Cb 0.42 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1itw h LYS 244 CO 0.01 0.83 0.15 -0.22 -2.27 0.00 0.00 179.45 177.95 1itw h LYS 245 N 0.67 0.46 0.00 1.90 3.64 -0.78 -2.76 116.57 119.71 1itw h LYS 245 Ca 0.14 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1itw h LYS 245 Cb 0.43 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1itw h LYS 245 CO 0.01 0.43 0.00 1.04 -2.27 0.00 0.00 179.45 178.66 1itw n GLN 246 N -4.76 0.15 -2.75 1.90 6.02 -0.01 -4.94 117.38 112.99 1itw n GLN 246 Ca -0.01 0.15 -0.09 0.00 -0.01 0.00 0.00 57.00 57.03 1itw n GLN 246 Cb 0.11 -1.68 0.02 0.00 1.02 0.00 0.00 30.24 29.71 1itw n GLN 246 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1itw n GLY 247 N 1.25 0.30 3.61 1.08 0.00 0.03 -5.05 105.19 106.41 1itw n GLY 247 Ca 0.06 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 1itw n GLY 247 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1itw s VAL 248 N -2.96 2.79 0.27 1.61 -7.23 -0.68 -4.94 120.40 109.25 1itw s VAL 248 Ca 0.18 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 1itw s VAL 248 Cb -0.08 -2.73 -0.09 0.00 0.56 0.00 0.00 36.38 34.04 1itw s VAL 248 CO 0.22 -0.27 1.07 -0.76 -0.31 0.00 0.00 175.10 175.05 1itw s LEU 249 N -3.67 4.57 -0.23 1.32 1.43 -0.78 -4.44 118.68 116.87 1itw s LEU 249 Ca 0.33 2.20 -0.16 0.00 -1.03 0.00 0.00 54.13 55.47 1itw s LEU 249 Cb -0.02 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1itw s LEU 249 CO 0.19 -0.09 0.43 -0.22 0.23 0.00 0.00 176.35 176.88 1itw s LEU 250 N -1.33 4.10 0.20 1.79 2.96 0.23 -0.62 118.68 126.01 1itw s LEU 250 Ca 0.44 0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.90 1itw s LEU 250 Cb -0.31 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 1itw s LEU 250 CO 0.39 -0.16 -0.15 -0.94 -1.32 0.00 0.00 176.35 174.17 1itw s SER 251 N 1.31 2.57 -0.06 3.68 1.04 -0.85 -1.33 113.70 120.06 1itw s SER 251 Ca 0.19 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.64 1itw s SER 251 Cb -0.15 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 65.85 1itw s SER 251 CO 0.09 -0.15 -0.06 -0.69 0.98 0.00 0.00 173.24 173.41 1itw s VAL 252 N -2.79 0.73 -0.37 5.02 1.01 -1.26 -1.01 120.40 121.73 1itw s VAL 252 Ca 0.21 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1itw s VAL 252 Cb -0.02 -0.74 0.11 0.00 0.00 0.00 0.00 36.38 35.73 1itw s VAL 252 CO 0.07 0.28 0.09 -1.00 0.00 0.00 0.00 175.10 174.54 1itw s HIS 253 N 1.08 3.50 0.34 5.22 3.76 -0.57 -4.89 115.29 123.73 1itw s HIS 253 Ca -0.08 -2.94 0.01 0.00 -0.15 0.00 0.00 55.06 51.89 1itw s HIS 253 Cb -0.14 -2.81 -0.00 0.00 1.11 0.00 0.00 32.58 30.73 1itw s HIS 253 CO -0.01 -0.91 0.02 1.28 -0.85 0.00 0.00 174.74 174.28 1itw n LEU 254 N 4.08 0.00 -3.11 0.89 4.77 -1.26 -4.65 117.00 117.73 1itw n LEU 254 Ca 0.04 -2.19 -0.24 0.00 -0.03 0.00 0.00 56.01 53.59 1itw n LEU 254 Cb 0.40 0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.79 1itw n LEU 254 CO 0.23 -0.32 -0.03 1.17 -1.33 0.00 0.00 177.39 177.11 1itw n LYS 255 N -0.82 2.13 -0.26 3.23 3.00 -1.26 -0.94 118.16 123.24 1itw n LYS 255 Ca -0.12 -4.17 -0.01 0.00 -0.00 0.00 0.00 58.31 54.00 1itw n LYS 255 Cb 0.44 -1.96 0.10 0.00 0.00 0.00 0.00 35.03 33.61 1itw n LYS 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1itw h ALA 256 N 3.23 0.97 -0.21 3.14 0.00 -1.84 -0.60 119.26 123.95 1itw h ALA 256 Ca 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1itw h ALA 256 Cb 0.72 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1itw h ALA 256 CO 0.68 0.15 0.02 1.15 0.00 0.00 0.00 179.25 181.25 1itw h THR 257 N 0.80 1.24 0.04 0.00 2.02 -1.92 -3.20 112.91 111.89 1itw h THR 257 Ca 0.31 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 1itw h THR 257 Cb 0.14 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1itw h THR 257 CO -0.16 0.25 -0.30 -0.03 0.37 0.00 0.00 175.52 175.65 1itw h MET 258 N 0.14 0.13 -2.87 6.66 -1.53 -1.98 -3.32 114.93 112.17 1itw h MET 258 Ca 0.06 -0.20 -0.70 0.00 -3.44 0.00 0.00 59.70 55.42 1itw h MET 258 Cb 0.35 0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 31.43 1itw h MET 258 CO 0.01 1.04 3.24 -1.33 0.14 0.00 0.00 176.91 180.01 1itw n MET 259 N -4.45 4.06 0.33 0.39 2.81 -0.24 -4.75 117.12 115.27 1itw n MET 259 Ca -0.11 -2.74 0.14 0.00 -1.81 0.00 0.00 57.70 53.18 1itw n MET 259 Cb 0.58 -2.74 0.74 0.00 -0.71 0.00 0.00 33.22 31.09 1itw n MET 259 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1itw h LYS 260 N 4.87 0.00 0.00 0.03 2.10 -1.65 -2.60 116.57 119.32 1itw h LYS 260 Ca 0.80 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.42 1itw h LYS 260 Cb 0.30 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1itw h LYS 260 CO 1.66 0.00 -1.01 0.28 -2.00 0.00 0.00 179.45 178.38 1itw n VAL 261 N -2.84 1.47 -0.06 0.07 0.31 -1.26 -4.60 118.33 111.42 1itw n VAL 261 Ca -0.02 0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.33 1itw n VAL 261 Cb 0.43 -2.25 -0.05 0.00 -0.91 0.00 0.00 33.84 31.06 1itw n VAL 261 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1itw h SER 262 N -0.91 0.32 -0.47 4.52 4.64 -1.94 -3.26 113.55 116.45 1itw h SER 262 Ca -0.04 -0.24 -0.13 0.00 -0.47 0.00 0.00 61.79 60.91 1itw h SER 262 Cb 0.95 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1itw h SER 262 CO -0.03 0.48 -0.19 0.44 -0.87 0.00 0.00 176.83 176.66 1itw h ASP 263 N 0.14 0.99 0.11 4.97 5.19 -1.77 -1.55 116.42 124.51 1itw h ASP 263 Ca 0.06 -0.36 -0.06 0.00 -0.62 0.00 0.00 57.03 56.05 1itw h ASP 263 Cb 0.29 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1itw h ASP 263 CO 0.00 1.15 -0.20 -0.65 -3.12 0.00 0.00 179.24 176.42 1itw h PRO 264 N 0.85 0.19 -0.24 3.56 0.11 -1.73 0.20 132.00 134.93 1itw h PRO 264 Ca 0.12 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 1itw h PRO 264 Cb 0.76 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1itw h PRO 264 CO 0.06 0.39 -0.08 0.82 -0.21 0.00 0.00 178.00 178.98 1itw h ILE 265 N 0.17 1.29 -0.75 4.15 2.04 -1.53 0.15 117.51 123.03 1itw h ILE 265 Ca 0.03 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.72 1itw h ILE 265 Cb 0.47 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1itw h ILE 265 CO 0.03 0.34 0.25 0.24 0.00 0.00 0.00 178.15 179.02 1itw h MET 266 N 0.21 1.15 -0.36 2.37 2.86 -0.86 -0.83 114.93 119.48 1itw h MET 266 Ca 0.06 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1itw h MET 266 Cb 0.56 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1itw h MET 266 CO 0.03 0.97 0.21 0.35 1.06 0.00 0.00 176.91 179.52 1itw h PHE 267 N 1.11 0.48 -0.96 -0.22 3.57 -0.41 -2.17 116.94 118.34 1itw h PHE 267 Ca 0.24 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.74 1itw h PHE 267 Cb 0.29 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1itw h PHE 267 CO 0.02 0.36 0.63 0.78 -2.23 0.00 0.00 178.31 177.88 1itw h GLY 268 N 0.46 1.36 1.69 2.40 0.00 -0.22 -0.65 103.07 108.11 1itw h GLY 268 Ca 0.13 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1itw h GLY 268 CO -0.02 0.51 -0.06 1.46 0.00 0.00 0.00 176.54 178.43 1itw h GLN 269 N 1.31 0.39 -0.19 4.80 4.20 -0.76 0.20 115.11 125.07 1itw h GLN 269 Ca 0.35 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.86 1itw h GLN 269 Cb -0.13 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1itw h GLN 269 CO -0.07 0.47 -0.33 0.82 -0.67 0.00 0.00 178.83 179.04 1itw h ILE 270 N 0.38 1.34 -0.64 2.54 2.04 -0.75 -2.32 117.51 120.09 1itw h ILE 270 Ca 0.08 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 1itw h ILE 270 Cb 0.34 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1itw h ILE 270 CO 0.02 0.48 0.30 0.58 0.00 0.00 0.00 178.15 179.52 1itw h VAL 271 N 0.21 1.22 -0.47 1.67 2.07 -0.73 -0.75 116.25 119.47 1itw h VAL 271 Ca 0.01 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1itw h VAL 271 Cb 0.92 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1itw h VAL 271 CO 0.08 0.26 0.31 0.28 0.02 0.00 0.00 177.57 178.51 1itw h SER 272 N 0.88 0.54 -0.21 0.57 0.02 -0.55 -1.66 113.55 113.14 1itw h SER 272 Ca 0.22 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.97 1itw h SER 272 Cb 0.13 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1itw h SER 272 CO -0.03 0.40 -0.56 -0.08 -1.14 0.00 0.00 176.83 175.42 1itw h GLU 273 N 0.63 0.76 -0.13 3.45 4.57 -1.26 -1.59 114.58 121.01 1itw h GLU 273 Ca 0.17 -0.53 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1itw h GLU 273 Cb -0.07 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1itw h GLU 273 CO -0.04 1.15 0.08 0.35 -1.18 0.00 0.00 179.01 179.38 1itw h PHE 274 N 0.49 0.17 -0.56 0.92 3.57 -1.02 -3.05 116.94 117.47 1itw h PHE 274 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1itw h PHE 274 Cb 1.18 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1itw h PHE 274 CO 0.09 0.15 0.00 0.66 -2.23 0.00 0.00 178.31 176.98 1itw n TYR 275 N -4.97 1.98 -0.34 0.41 4.02 -0.63 -4.74 117.16 112.89 1itw n TYR 275 Ca -0.05 -0.69 0.19 0.00 -0.01 0.00 0.00 57.90 57.34 1itw n TYR 275 Cb 0.05 -0.49 0.42 0.00 -0.02 0.00 0.00 39.34 39.30 1itw n TYR 275 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1itw h LYS 276 N 3.84 0.52 -0.53 -0.72 2.10 -1.17 -0.88 116.57 119.74 1itw h LYS 276 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1itw h LYS 276 Cb 1.90 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 33.09 1itw h LYS 276 CO 0.46 0.34 0.34 -0.44 -2.00 0.00 0.00 179.45 178.16 1itw h ASP 277 N 0.53 0.61 -0.02 7.07 3.32 -1.87 -0.58 116.42 125.49 1itw h ASP 277 Ca 0.63 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.52 1itw h ASP 277 Cb 1.30 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.71 1itw h ASP 277 CO -0.43 0.46 -0.51 0.00 -1.72 0.00 0.00 179.24 177.04 1itw h ALA 278 N 1.18 0.09 -0.42 3.45 0.00 -1.60 -2.77 119.26 119.18 1itw h ALA 278 Ca 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1itw h ALA 278 Cb -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1itw h ALA 278 CO -0.04 0.30 0.08 -0.07 0.00 0.00 0.00 179.25 179.52 1itw h LEU 279 N -0.14 0.60 -0.06 0.00 3.38 -1.15 -1.73 115.31 116.21 1itw h LEU 279 Ca -0.06 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1itw h LEU 279 Cb 1.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1itw h LEU 279 CO 0.10 0.62 -0.15 0.74 0.09 0.00 0.00 178.44 179.84 1itw h THR 280 N 0.62 1.43 -0.61 0.22 2.02 -1.19 -1.87 112.91 113.54 1itw h THR 280 Ca 0.14 -1.51 0.06 0.00 0.77 0.00 0.00 66.41 65.87 1itw h THR 280 Cb 0.28 2.27 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 1itw h THR 280 CO 0.00 0.42 0.31 0.50 0.37 0.00 0.00 175.52 177.12 1itw h LYS 281 N -0.30 0.56 -0.86 6.66 3.64 -1.34 -2.35 116.57 122.57 1itw h LYS 281 Ca -0.00 -0.03 -0.37 0.00 -1.27 0.00 0.00 60.65 58.97 1itw h LYS 281 Cb 0.76 -0.13 -0.22 0.00 -0.41 0.00 0.00 32.23 32.23 1itw h LYS 281 CO 0.03 0.37 0.46 0.72 -2.27 0.00 0.00 179.45 178.76 1itw n HIS 282 N -4.86 2.74 -0.03 1.91 8.25 -0.66 -4.72 115.22 117.86 1itw n HIS 282 Ca 0.07 -1.55 -0.10 0.00 -0.26 0.00 0.00 57.72 55.87 1itw n HIS 282 Cb 0.18 -0.82 -0.04 0.00 1.12 0.00 0.00 29.99 30.43 1itw n HIS 282 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1itw h ALA 283 N 1.75 -0.40 -0.16 -1.41 0.00 -0.77 -1.38 119.26 116.89 1itw h ALA 283 Ca 0.46 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.43 1itw h ALA 283 Cb 2.60 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 21.04 1itw h ALA 283 CO 0.92 -0.82 -0.06 0.93 0.00 0.00 0.00 179.25 180.22 1itw h GLU 284 N -0.39 -0.03 -0.05 0.00 5.08 -1.85 -1.72 114.58 115.61 1itw h GLU 284 Ca 0.11 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1itw h GLU 284 Cb 0.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1itw h GLU 284 CO -0.41 -0.02 -0.37 -0.24 -1.00 0.00 0.00 179.01 176.97 1itw h VAL 285 N -0.04 1.28 -0.22 3.13 3.04 -1.90 -1.95 116.25 119.59 1itw h VAL 285 Ca 0.09 -1.34 -0.12 0.00 -1.01 0.00 0.00 66.70 64.31 1itw h VAL 285 Cb 0.16 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 1itw h VAL 285 CO -0.19 0.39 -0.37 -0.07 -1.01 0.00 0.00 177.57 176.32 1itw h LEU 286 N 0.08 0.51 -0.39 3.16 4.07 -0.88 -1.83 115.31 120.02 1itw h LEU 286 Ca 0.01 -0.21 -0.17 0.00 0.08 0.00 0.00 57.88 57.59 1itw h LEU 286 Cb 0.70 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 1itw h LEU 286 CO 0.05 0.84 -0.43 0.50 -1.08 0.00 0.00 178.44 178.32 1itw h LYS 287 N 0.41 0.89 -0.73 1.13 3.64 -1.03 -0.60 116.57 120.27 1itw h LYS 287 Ca 0.04 -0.49 0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1itw h LYS 287 Cb 0.84 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.64 1itw h LYS 287 CO 0.07 1.14 0.46 1.96 -2.27 0.00 0.00 179.45 180.81 1itw h GLN 288 N 0.71 0.88 -0.13 1.90 4.20 -1.03 -1.32 115.11 120.32 1itw h GLN 288 Ca 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1itw h GLN 288 Cb 1.02 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1itw h GLN 288 CO 0.10 0.58 0.00 0.44 -0.67 0.00 0.00 178.83 179.28 1itw n ILE 289 N -4.64 0.17 -2.29 2.54 -5.35 -0.72 -4.92 119.36 104.16 1itw n ILE 289 Ca 0.08 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 1itw n ILE 289 Cb 0.08 0.10 -0.00 0.00 -1.74 0.00 0.00 39.64 38.08 1itw n ILE 289 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1itw n GLY 290 N 0.92 -0.11 3.67 3.28 0.00 -0.50 -4.94 105.19 107.51 1itw n GLY 290 Ca 0.12 -0.37 -0.46 0.00 0.00 0.00 0.00 46.02 45.32 1itw n GLY 290 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1itw n PHE 291 N -4.01 2.25 -3.88 1.61 -0.00 -0.27 -4.95 117.46 108.21 1itw n PHE 291 Ca -0.13 0.31 -0.33 0.00 -0.00 0.00 0.00 57.45 57.30 1itw n PHE 291 Cb 0.60 -2.52 -0.13 0.00 -0.00 0.00 0.00 39.48 37.43 1itw n PHE 291 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1itw s ASP 292 N 0.76 4.79 0.53 -2.13 2.15 -1.26 -4.89 116.67 116.61 1itw s ASP 292 Ca 0.76 -2.62 0.28 0.00 0.43 0.00 0.00 52.55 51.41 1itw s ASP 292 Cb -0.67 -1.72 1.42 0.00 -0.30 0.00 0.00 42.92 41.65 1itw s ASP 292 CO 0.41 -0.35 1.93 1.62 -0.17 0.00 0.00 175.17 178.61 1itw h VAL 293 N 5.85 0.63 0.00 1.11 3.04 -1.93 0.24 116.25 125.19 1itw h VAL 293 Ca -0.06 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1itw h VAL 293 Cb 0.96 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 1itw h VAL 293 CO 0.66 0.01 0.00 0.59 -1.01 0.00 0.00 177.57 177.81 1itw n ASN 294 N -4.33 0.38 -1.56 3.17 3.02 -1.26 -1.47 115.26 113.21 1itw n ASN 294 Ca 0.15 0.61 0.09 0.00 -0.03 0.00 0.00 54.58 55.40 1itw n ASN 294 Cb 0.80 -0.69 0.35 0.00 -0.61 0.00 0.00 39.78 39.64 1itw n ASN 294 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1itw n ASN 295 N -1.94 4.85 0.00 6.41 5.15 0.84 -4.64 115.26 125.93 1itw n ASN 295 Ca 0.02 -2.59 0.00 0.00 -0.60 0.00 0.00 54.58 51.41 1itw n ASN 295 Cb 0.15 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1itw n ASN 295 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1itw n GLY 296 N 0.85 -1.42 0.23 8.20 0.00 -0.54 -4.04 105.19 108.47 1itw n GLY 296 Ca 0.25 -1.58 0.16 0.00 0.00 0.00 0.00 46.02 44.85 1itw n GLY 296 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1itw h ILE 297 N 0.00 0.00 0.00 -0.61 6.09 -1.23 -1.83 117.51 119.93 1itw h ILE 297 Ca 0.00 -0.39 -0.02 0.00 -1.37 0.00 0.00 64.86 63.08 1itw h ILE 297 Cb 0.00 1.29 -0.00 0.00 0.47 0.00 0.00 36.82 38.58 1itw h ILE 297 CO 0.00 0.00 -0.09 1.23 -3.07 0.00 0.00 178.15 176.22 1itw h GLY 298 N 1.98 0.00 1.58 8.18 0.00 -1.45 -1.02 103.07 112.34 1itw h GLY 298 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1itw h GLY 298 CO 0.00 0.00 -0.37 -1.80 0.00 0.00 0.00 176.54 174.37 1itw h ASP 299 N 0.00 0.49 -0.23 0.19 1.82 -1.47 -2.49 116.42 114.73 1itw h ASP 299 Ca -0.00 -0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.39 1itw h ASP 299 Cb 0.24 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1itw h ASP 299 CO 0.01 0.82 -0.02 0.25 -1.61 0.00 0.00 179.24 178.69 1itw h LEU 300 N 0.40 0.42 -1.57 2.28 6.46 -1.32 -2.08 115.31 119.90 1itw h LEU 300 Ca 0.04 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.44 1itw h LEU 300 Cb 0.83 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1itw h LEU 300 CO 0.07 0.65 -0.05 1.88 -0.62 0.00 0.00 178.44 180.37 1itw h TYR 301 N 0.18 0.22 -0.11 1.25 -1.99 -1.38 -1.12 116.97 114.02 1itw h TYR 301 Ca 0.06 -0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.59 1itw h TYR 301 Cb 0.45 -0.07 0.01 0.00 2.00 0.00 0.00 36.73 39.13 1itw h TYR 301 CO 0.04 0.27 -0.67 0.00 -0.00 0.00 0.00 178.16 177.81 1itw h ALA 302 N 1.74 0.23 0.00 3.88 0.00 -1.33 -3.33 119.26 120.46 1itw h ALA 302 Ca 0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1itw h ALA 302 Cb 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1itw h ALA 302 CO 0.01 0.53 -0.10 0.00 0.00 0.00 0.00 179.25 179.69 1itw h ARG 303 N 0.31 0.00 0.00 0.00 3.08 -1.05 -3.26 114.38 113.45 1itw h ARG 303 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1itw h ARG 303 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1itw h ARG 303 CO 0.14 0.02 0.00 0.44 -1.07 0.00 0.00 179.97 179.50 1itw n ILE 304 N -3.07 0.43 0.19 2.04 -5.35 -0.45 -3.41 119.36 109.73 1itw n ILE 304 Ca 0.04 -0.13 0.02 0.00 -0.27 0.00 0.00 62.75 62.40 1itw n ILE 304 Cb 0.54 -0.62 0.10 0.00 -1.74 0.00 0.00 39.64 37.93 1itw n ILE 304 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1itw n LYS 305 N -1.98 0.05 0.00 6.28 5.02 -1.23 -0.95 118.16 125.34 1itw n LYS 305 Ca 0.06 0.29 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 1itw n LYS 305 Cb 0.38 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 1itw n LYS 305 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1itw n THR 306 N -1.34 0.00 -2.75 -0.18 -2.24 -1.22 -4.96 114.28 101.60 1itw n THR 306 Ca 0.02 -0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.42 1itw n THR 306 Cb 0.04 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.28 1itw n THR 306 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1itw s LEU 307 N -2.73 3.51 0.51 3.22 1.43 -0.13 -5.03 118.68 119.46 1itw s LEU 307 Ca 0.14 0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 53.55 1itw s LEU 307 Cb 0.17 -3.40 -0.07 0.00 0.03 0.00 0.00 46.19 42.92 1itw s LEU 307 CO 0.70 -0.79 1.14 -2.65 0.23 0.00 0.00 176.35 174.97 1itw n PRO 308 N -2.27 1.43 0.09 1.29 -0.02 -1.26 -4.72 135.00 129.53 1itw n PRO 308 Ca 0.02 0.52 0.18 0.00 -2.02 0.00 0.00 63.50 62.21 1itw n PRO 308 Cb 0.57 -2.29 0.73 0.00 -0.02 0.00 0.00 33.50 32.49 1itw n PRO 308 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1itw h GLU 309 N 1.32 0.00 -0.60 -0.52 4.81 -1.96 0.60 114.58 118.23 1itw h GLU 309 Ca -0.48 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 1itw h GLU 309 Cb 1.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1itw h GLU 309 CO 0.56 0.00 0.03 0.00 -0.73 0.00 0.00 179.01 178.87 1itw h ALA 310 N 1.74 0.92 -0.15 2.92 0.00 -2.00 -1.91 119.26 120.78 1itw h ALA 310 Ca 0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1itw h ALA 310 Cb 0.79 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1itw h ALA 310 CO -0.00 0.65 -0.28 0.87 0.00 0.00 0.00 179.25 180.48 1itw h LYS 311 N 0.94 0.46 -0.42 0.00 1.79 -1.23 -2.54 116.57 115.57 1itw h LYS 311 Ca 0.18 -0.29 0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1itw h LYS 311 Cb 0.50 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 1itw h LYS 311 CO 0.02 0.89 0.12 1.96 -1.08 0.00 0.00 179.45 181.37 1itw h GLN 312 N 0.07 0.26 -0.18 3.15 4.20 -1.33 -0.21 115.11 121.08 1itw h GLN 312 Ca 0.01 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1itw h GLN 312 Cb 0.87 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.55 1itw h GLN 312 CO 0.06 0.17 -0.11 -0.22 -0.67 0.00 0.00 178.83 178.07 1itw h LYS 313 N 0.27 -0.10 0.14 1.46 3.64 -1.33 0.15 116.57 120.80 1itw h LYS 313 Ca 0.20 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1itw h LYS 313 Cb 0.21 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1itw h LYS 313 CO -0.23 -0.06 -0.08 1.49 -2.27 0.00 0.00 179.45 178.30 1itw h GLU 314 N -0.10 -0.20 -0.09 1.90 4.81 -0.98 -1.21 114.58 118.71 1itw h GLU 314 Ca 0.10 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1itw h GLU 314 Cb 0.25 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1itw h GLU 314 CO -0.24 -0.14 -0.04 0.82 -0.73 0.00 0.00 179.01 178.68 1itw h ILE 315 N -0.21 0.86 -0.45 2.32 2.04 -0.84 -0.42 117.51 120.81 1itw h ILE 315 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1itw h ILE 315 Cb 0.17 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1itw h ILE 315 CO 0.02 0.00 0.30 -0.33 0.00 0.00 0.00 178.15 178.14 1itw h GLU 316 N -0.04 0.48 -0.24 2.37 5.08 -0.89 -1.23 114.58 120.11 1itw h GLU 316 Ca 0.05 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1itw h GLU 316 Cb 0.11 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1itw h GLU 316 CO -0.11 0.32 -0.21 0.00 -1.00 0.00 0.00 179.01 178.00 1itw h ALA 317 N 1.74 0.35 0.00 3.43 0.00 -0.47 -2.30 119.26 122.01 1itw h ALA 317 Ca 0.18 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1itw h ALA 317 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1itw h ALA 317 CO -0.04 0.30 -0.21 -0.44 0.00 0.00 0.00 179.25 178.85 1itw h ASP 318 N 0.27 0.00 -0.38 0.00 3.32 -0.34 -1.27 116.42 118.01 1itw h ASP 318 Ca 0.04 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1itw h ASP 318 Cb 0.76 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1itw h ASP 318 CO 0.05 0.21 -0.29 0.40 -1.72 0.00 0.00 179.24 177.90 1itw h ILE 319 N 0.00 1.28 -0.02 0.35 1.08 -1.09 -2.32 117.51 116.79 1itw h ILE 319 Ca -0.00 -1.45 -0.07 0.00 -0.39 0.00 0.00 64.86 62.95 1itw h ILE 319 Cb 0.39 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 1itw h ILE 319 CO 0.03 0.48 -0.30 1.56 -0.69 0.00 0.00 178.15 179.23 1itw h GLN 320 N 0.68 0.04 -0.22 2.37 1.08 -0.78 -1.41 115.11 116.86 1itw h GLN 320 Ca 0.07 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 1itw h GLN 320 Cb 0.87 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 1itw h GLN 320 CO 0.08 0.34 -0.30 0.00 -0.95 0.00 0.00 178.83 178.00 1itw h ALA 321 N 1.66 1.07 -0.01 3.87 0.00 -0.99 -2.62 119.26 122.24 1itw h ALA 321 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1itw h ALA 321 Cb 0.56 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1itw h ALA 321 CO 0.04 0.57 0.00 0.28 0.00 0.00 0.00 179.25 180.15 1itw h VAL 322 N 0.39 1.12 -0.50 0.00 2.07 -0.72 -2.74 116.25 115.86 1itw h VAL 322 Ca 0.05 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.33 1itw h VAL 322 Cb 0.72 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1itw h VAL 322 CO 0.06 0.09 0.34 1.88 0.02 0.00 0.00 177.57 179.96 1itw h TYR 323 N -0.13 0.25 0.00 1.57 0.99 -1.20 0.42 116.97 118.87 1itw h TYR 323 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1itw h TYR 323 Cb 0.15 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 37.80 1itw h TYR 323 CO -0.03 0.12 0.00 0.00 -0.00 0.00 0.00 178.16 178.25 1itw h ALA 324 N 1.75 1.00 0.00 3.88 0.00 -1.18 -3.15 119.26 121.56 1itw h ALA 324 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1itw h ALA 324 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1itw h ALA 324 CO -0.04 0.00 -1.82 0.94 0.00 0.00 0.00 179.25 178.32 1itw n GLN 325 N -2.99 0.55 -3.34 0.00 -0.06 0.01 -5.00 117.38 106.56 1itw n GLN 325 Ca 0.02 -0.17 -0.19 0.00 -2.00 0.00 0.00 57.00 54.67 1itw n GLN 325 Cb 0.39 -1.51 -0.01 0.00 -4.06 0.00 0.00 30.24 25.05 1itw n GLN 325 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1itw s ARG 326 N -3.42 2.73 0.75 3.69 3.00 -0.44 -5.10 118.95 120.17 1itw s ARG 326 Ca -0.05 -1.34 -0.11 0.00 0.00 0.00 0.00 55.73 54.23 1itw s ARG 326 Cb 0.14 -2.59 0.04 0.00 0.00 0.00 0.00 34.95 32.54 1itw s ARG 326 CO 0.90 -0.18 1.08 -1.25 0.00 0.00 0.00 175.30 175.85 1itw s PRO 327 N -4.22 2.44 0.39 3.54 0.04 -1.26 -4.91 135.00 131.02 1itw s PRO 327 Ca 0.50 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.33 1itw s PRO 327 Cb -0.07 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1itw s PRO 327 CO 0.30 -1.48 1.11 -0.65 0.04 0.00 0.00 177.00 176.32 1itw s GLN 328 N -4.97 4.14 0.17 4.56 -0.21 -1.26 -4.84 119.66 117.24 1itw s GLN 328 Ca 0.60 1.68 -0.05 0.00 0.02 0.00 0.00 55.36 57.61 1itw s GLN 328 Cb -0.16 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 31.15 1itw s GLN 328 CO 0.56 -0.20 0.41 -0.51 -2.12 0.00 0.00 175.29 173.43 1itw s LEU 329 N -2.50 4.24 0.54 2.90 1.43 -1.26 -0.60 118.68 123.42 1itw s LEU 329 Ca 0.57 0.64 -0.20 0.00 -1.03 0.00 0.00 54.13 54.10 1itw s LEU 329 Cb -0.27 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 1itw s LEU 329 CO 0.33 0.01 1.19 0.00 0.23 0.00 0.00 176.35 178.11 1itw s ALA 330 N -1.72 2.72 -0.04 4.21 0.00 -0.44 -4.24 121.76 122.24 1itw s ALA 330 Ca 0.42 0.96 0.04 0.00 0.00 0.00 0.00 51.96 53.38 1itw s ALA 330 Cb -0.12 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1itw s ALA 330 CO 0.25 -0.94 -0.15 -1.64 0.00 0.00 0.00 175.76 173.28 1itw s MET 331 N -3.13 2.45 -0.01 0.00 1.00 0.21 -1.76 119.30 118.07 1itw s MET 331 Ca 0.72 -0.73 -0.06 0.00 0.00 0.00 0.00 55.69 55.62 1itw s MET 331 Cb -0.29 -2.35 -0.29 0.00 0.00 0.00 0.00 34.83 31.90 1itw s MET 331 CO 0.33 0.62 0.83 0.28 0.00 0.00 0.00 175.02 177.07 1itw h VAL 332 N 4.32 1.12 -1.74 -6.03 2.07 -1.19 -3.41 116.25 111.39 1itw h VAL 332 Ca -0.46 -2.72 -0.26 0.00 0.82 0.00 0.00 66.70 64.08 1itw h VAL 332 Cb 1.15 2.79 -0.29 0.00 -1.52 0.00 0.00 31.29 33.43 1itw h VAL 332 CO 0.50 0.83 -0.60 0.21 0.02 0.00 0.00 177.57 178.53 1itw s ASN 333 N -7.13 0.54 0.26 0.57 3.84 -0.85 -5.02 114.94 107.15 1itw s ASN 333 Ca -0.11 -1.00 -0.05 0.00 0.21 0.00 0.00 52.86 51.91 1itw s ASN 333 Cb 0.06 0.95 0.30 0.00 -0.55 0.00 0.00 41.25 42.01 1itw s ASN 333 CO 0.86 -0.29 1.92 0.77 -2.79 0.00 0.00 177.10 177.57 1itw h SER 334 N 7.51 1.09 -0.46 -4.21 4.64 -1.84 -0.42 113.55 119.85 1itw h SER 334 Ca -0.01 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1itw h SER 334 Cb 1.10 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 1itw h SER 334 CO 0.22 0.81 0.29 0.44 -0.87 0.00 0.00 176.83 177.72 1itw h ASP 335 N 1.26 0.56 -0.15 4.97 3.32 -1.95 -1.82 116.42 122.60 1itw h ASP 335 Ca 0.33 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1itw h ASP 335 Cb -0.09 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1itw h ASP 335 CO -0.07 0.43 0.00 0.29 -1.72 0.00 0.00 179.24 178.17 1itw n LYS 336 N -4.44 2.19 -1.87 3.56 5.02 -1.01 -4.95 118.16 116.66 1itw n LYS 336 Ca 0.04 -1.75 -0.13 0.00 -2.02 0.00 0.00 58.31 54.45 1itw n LYS 336 Cb 0.07 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1itw n LYS 336 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1itw n GLY 337 N 1.34 0.49 3.55 0.72 0.00 -0.61 -4.97 105.19 105.71 1itw n GLY 337 Ca 0.17 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1itw n GLY 337 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1itw s ILE 338 N -2.57 4.63 0.73 -0.61 -1.09 -0.27 -5.00 121.20 117.02 1itw s ILE 338 Ca 0.00 0.55 -0.05 0.00 -2.23 0.00 0.00 60.65 58.92 1itw s ILE 338 Cb 0.00 -4.33 0.10 0.00 -1.58 0.00 0.00 42.46 36.65 1itw s ILE 338 CO 0.00 -0.70 1.02 0.42 -1.23 0.00 0.00 174.94 174.45 1itw s THR 339 N 3.35 2.24 0.47 2.92 -4.23 -1.26 -0.81 115.64 118.32 1itw s THR 339 Ca 0.31 -0.40 0.38 0.00 -1.18 0.00 0.00 61.69 60.81 1itw s THR 339 Cb -0.12 -2.84 0.40 0.00 1.34 0.00 0.00 72.50 71.28 1itw s THR 339 CO 0.23 0.00 2.22 -1.13 -0.54 0.00 0.00 174.62 175.39 1itw h ASN 340 N -0.64 0.00 -0.33 3.99 -0.00 -1.68 -2.38 115.58 114.54 1itw h ASN 340 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.89 1itw h ASN 340 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.60 1itw h ASN 340 CO 0.49 0.02 0.00 0.18 -0.00 0.00 0.00 177.43 178.12 1itw n LEU 341 N -3.23 3.16 -0.03 0.34 4.77 -1.26 -4.51 117.00 116.25 1itw n LEU 341 Ca -0.02 -1.33 -0.15 0.00 -0.03 0.00 0.00 56.01 54.48 1itw n LEU 341 Cb 0.16 -0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 40.93 1itw n LEU 341 CO 0.24 0.67 0.42 0.45 -1.33 0.00 0.00 177.39 177.84 1itw h HIS 342 N 4.18 0.26 -3.22 -1.77 3.86 -1.80 -1.66 115.15 115.00 1itw h HIS 342 Ca 0.00 -0.13 -0.49 0.00 -1.16 0.00 0.00 60.37 58.59 1itw h HIS 342 Cb 0.92 -0.03 -0.37 0.00 1.06 0.00 0.00 27.41 28.98 1itw h HIS 342 CO 0.21 0.90 -0.79 0.08 0.86 0.00 0.00 177.93 179.19 1itw s VAL 343 N -3.28 0.75 0.41 2.45 1.01 -1.26 -1.42 120.40 119.06 1itw s VAL 343 Ca -0.16 -0.12 0.18 0.00 0.00 0.00 0.00 61.98 61.88 1itw s VAL 343 Cb 0.01 -0.83 0.39 0.00 0.00 0.00 0.00 36.38 35.95 1itw s VAL 343 CO 0.74 0.32 1.82 -0.65 0.00 0.00 0.00 175.10 177.33 1itw h PRO 344 N 8.22 0.40 -0.00 2.72 0.11 -1.87 -1.93 132.00 139.65 1itw h PRO 344 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1itw h PRO 344 Cb 1.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1itw h PRO 344 CO 0.35 0.26 -0.18 -1.13 -0.21 0.00 0.00 178.00 177.09 1itw n SER 345 N -4.55 0.59 0.06 -2.05 3.41 -1.26 -4.30 113.62 105.52 1itw n SER 345 Ca 0.22 -0.54 -0.13 0.00 -0.26 0.00 0.00 58.87 58.15 1itw n SER 345 Cb 0.77 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.62 1itw n SER 345 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1itw h ASP 346 N 0.63 -0.09 -3.71 4.04 3.32 -1.72 -3.40 116.42 115.48 1itw h ASP 346 Ca 0.00 -0.13 -0.67 0.00 0.02 0.00 0.00 57.03 56.24 1itw h ASP 346 Cb 0.42 0.02 -0.20 0.00 0.22 0.00 0.00 39.33 39.80 1itw h ASP 346 CO 0.00 0.08 -0.50 -0.69 -1.72 0.00 0.00 179.24 176.40 1itw s VAL 347 N -5.56 5.11 -0.26 -1.35 1.01 -1.26 -5.06 120.40 113.03 1itw s VAL 347 Ca -0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1itw s VAL 347 Cb 0.04 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1itw s VAL 347 CO 0.65 0.03 -0.01 -0.63 0.00 0.00 0.00 175.10 175.14 1itw s ILE 348 N 1.70 3.34 0.30 2.22 1.01 -1.26 -4.22 121.20 124.29 1itw s ILE 348 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1itw s ILE 348 Cb -0.17 -2.68 0.42 0.00 0.01 0.00 0.00 42.46 40.04 1itw s ILE 348 CO 0.09 0.19 1.57 1.62 0.00 0.00 0.00 174.94 178.42 1itw h VAL 349 N 5.97 0.02 -0.26 2.92 3.04 -1.30 0.17 116.25 126.81 1itw h VAL 349 Ca -0.34 -0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.36 1itw h VAL 349 Cb 1.12 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 1itw h VAL 349 CO 0.59 0.00 0.17 -2.24 -1.01 0.00 0.00 177.57 175.08 1itw h ASP 350 N 0.01 0.27 0.00 3.17 -0.00 -1.92 -2.51 116.42 115.44 1itw h ASP 350 Ca 0.58 -0.01 -0.35 0.00 -0.00 0.00 0.00 57.03 57.25 1itw h ASP 350 Cb 1.16 -0.07 -0.07 0.00 -0.00 0.00 0.00 39.33 40.36 1itw h ASP 350 CO -0.94 0.19 -2.33 0.00 -0.00 0.00 0.00 179.24 176.16 1itw n ALA 351 N -2.51 1.52 -0.06 4.15 0.00 -0.55 -4.42 120.51 118.64 1itw n ALA 351 Ca 0.01 -1.22 -0.11 0.00 0.00 0.00 0.00 53.44 52.12 1itw n ALA 351 Cb 0.10 -0.14 0.02 0.00 0.00 0.00 0.00 19.45 19.43 1itw n ALA 351 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1itw h SER 352 N 0.00 0.84 -0.22 0.00 4.64 -0.64 -2.62 113.55 115.54 1itw h SER 352 Ca -0.53 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 60.33 1itw h SER 352 Cb 2.11 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 1itw h SER 352 CO 0.00 1.16 -0.11 0.24 -0.87 0.00 0.00 176.83 177.26 1itw h MET 353 N 0.62 0.47 -0.44 4.77 2.86 -1.68 -1.60 114.93 119.92 1itw h MET 353 Ca 0.04 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1itw h MET 353 Cb 1.02 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1itw h MET 353 CO 0.10 0.74 0.04 -1.35 1.06 0.00 0.00 176.91 177.50 1itw h PRO 354 N 0.18 0.70 -0.58 -0.22 0.11 -1.77 0.06 132.00 130.48 1itw h PRO 354 Ca 0.05 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1itw h PRO 354 Cb 0.60 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 1itw h PRO 354 CO 0.03 0.68 0.28 0.00 -0.21 0.00 0.00 178.00 178.79 1itw h ALA 355 N 1.38 0.74 -0.15 -0.75 0.00 -1.35 0.17 119.26 119.31 1itw h ALA 355 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1itw h ALA 355 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1itw h ALA 355 CO 0.01 0.30 0.01 1.98 0.00 0.00 0.00 179.25 181.55 1itw h MET 356 N 0.78 0.25 -0.74 0.00 1.85 -0.87 -1.93 114.93 114.28 1itw h MET 356 Ca 0.20 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1itw h MET 356 Cb 0.11 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.08 1itw h MET 356 CO -0.03 0.46 0.47 0.82 -0.40 0.00 0.00 176.91 178.24 1itw h ILE 357 N 0.01 1.20 -0.66 1.77 2.04 -0.80 0.17 117.51 121.23 1itw h ILE 357 Ca 0.04 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 1itw h ILE 357 Cb 0.34 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1itw h ILE 357 CO 0.01 0.20 0.09 -0.09 0.00 0.00 0.00 178.15 178.35 1itw h ARG 358 N 1.00 1.11 -2.53 2.37 2.43 -0.93 -3.19 114.38 114.64 1itw h ARG 358 Ca 0.27 -0.31 -0.62 0.00 -0.81 0.00 0.00 59.98 58.51 1itw h ARG 358 Cb -0.09 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.25 1itw h ARG 358 CO -0.06 1.03 2.10 -3.47 -1.51 0.00 0.00 179.97 178.06 1itw n ASP 359 N -4.21 7.64 -1.14 -3.80 2.03 -0.73 -1.07 116.55 115.27 1itw n ASP 359 Ca 0.04 -2.94 -0.15 0.00 0.52 0.00 0.00 54.79 52.26 1itw n ASP 359 Cb 0.31 -1.39 -0.06 0.00 -0.72 0.00 0.00 41.12 39.25 1itw n ASP 359 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1itw n SER 360 N 2.10 -5.52 -0.42 1.67 7.64 -1.23 -1.62 113.62 116.25 1itw n SER 360 Ca 0.62 0.36 -0.04 0.00 1.01 0.00 0.00 58.87 60.82 1itw n SER 360 Cb 0.37 -4.38 -0.00 0.00 -1.01 0.00 0.00 64.21 59.18 1itw n SER 360 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1itw n GLY 361 N 0.01 0.28 3.55 0.23 0.00 0.58 -4.85 105.19 104.98 1itw n GLY 361 Ca -0.15 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 1itw n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itw s LYS 362 N -3.90 1.84 0.17 1.61 1.02 -0.64 -3.86 119.74 115.98 1itw s LYS 362 Ca 0.00 -1.89 -0.01 0.00 0.02 0.00 0.00 55.97 54.09 1itw s LYS 362 Cb 0.00 -1.75 -0.04 0.00 -0.52 0.00 0.00 37.83 35.52 1itw s LYS 362 CO 0.00 0.16 0.09 -1.64 -0.92 0.00 0.00 175.35 173.05 1itw s MET 363 N -3.61 1.09 0.15 1.68 -1.94 -0.86 -4.51 119.30 111.30 1itw s MET 363 Ca 0.32 -1.55 -0.30 0.00 -1.71 0.00 0.00 55.69 52.45 1itw s MET 363 Cb 0.01 0.22 -0.07 0.00 2.01 0.00 0.00 34.83 37.00 1itw s MET 363 CO 0.17 -0.32 1.10 -1.58 -0.01 0.00 0.00 175.02 174.38 1itw s TRP 364 N -4.08 3.58 0.48 -0.03 0.52 -1.26 -1.48 118.94 116.68 1itw s TRP 364 Ca 0.32 1.57 0.08 0.00 0.02 0.00 0.00 56.10 58.10 1itw s TRP 364 Cb 0.07 -3.28 0.03 0.00 -1.15 0.00 0.00 33.47 29.14 1itw s TRP 364 CO 0.08 -0.64 0.58 0.20 0.02 0.00 0.00 176.95 177.19 1itw s GLY 365 N 0.08 1.97 0.59 0.98 0.00 0.11 0.64 107.32 111.68 1itw s GLY 365 Ca 0.50 -1.82 0.29 0.00 0.00 0.00 0.00 44.72 43.69 1itw s GLY 365 CO 0.34 -1.65 2.02 -2.55 0.00 0.00 0.00 173.10 171.26 1itw h PRO 366 N 0.59 0.00 -0.00 2.90 0.11 -1.88 0.41 132.00 134.13 1itw h PRO 366 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1itw h PRO 366 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1itw h PRO 366 CO 0.48 0.00 -0.01 -0.40 -0.21 0.00 0.00 178.00 177.85 1itw n ASP 367 N -3.74 0.32 0.00 -2.05 5.75 -1.26 -4.88 116.55 110.69 1itw n ASP 367 Ca 0.04 -0.94 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 1itw n ASP 367 Cb 0.45 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1itw n ASP 367 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1itw n GLY 368 N 1.10 0.58 3.68 6.12 0.00 0.14 -5.04 105.19 111.76 1itw n GLY 368 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1itw n GLY 368 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itw s LYS 369 N -0.10 2.20 0.25 1.61 1.02 -1.26 -4.85 119.74 118.62 1itw s LYS 369 Ca 0.00 -1.69 -0.24 0.00 0.02 0.00 0.00 55.97 54.06 1itw s LYS 369 Cb 0.00 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 1itw s LYS 369 CO 0.00 0.09 0.84 -0.51 -0.92 0.00 0.00 175.35 174.85 1itw s LEU 370 N -3.79 4.41 0.03 3.17 1.43 -1.26 -0.71 118.68 121.96 1itw s LEU 370 Ca 0.37 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 1itw s LEU 370 Cb -0.00 -3.71 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1itw s LEU 370 CO 0.21 0.03 0.25 -1.00 0.23 0.00 0.00 176.35 176.07 1itw s HIS 371 N -1.47 -0.04 0.86 0.29 3.76 -0.55 -4.91 115.29 113.22 1itw s HIS 371 Ca 0.44 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 55.15 1itw s HIS 371 Cb -0.19 0.04 0.11 0.00 1.11 0.00 0.00 32.58 33.65 1itw s HIS 371 CO 0.24 -0.44 1.18 -0.51 -0.85 0.00 0.00 174.74 174.36 1itw s ASP 372 N -1.90 3.24 0.01 1.40 1.01 -1.26 -2.03 116.67 117.14 1itw s ASP 372 Ca -0.07 2.30 -0.08 0.00 0.71 0.00 0.00 52.55 55.41 1itw s ASP 372 Cb -0.02 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1itw s ASP 372 CO -0.02 -2.90 0.15 0.28 0.21 0.00 0.00 175.17 172.90 1itw s THR 373 N -2.36 0.09 -0.47 -1.27 -1.32 -1.25 -1.86 115.64 107.20 1itw s THR 373 Ca 0.71 -0.75 -0.17 0.00 -1.21 0.00 0.00 61.69 60.27 1itw s THR 373 Cb -0.26 -0.57 0.06 0.00 -1.51 0.00 0.00 72.50 70.22 1itw s THR 373 CO 0.54 -0.41 0.45 -0.75 -2.21 0.00 0.00 174.62 172.24 1itw s LYS 374 N -1.70 3.02 -0.55 7.08 2.20 0.21 -2.32 119.74 127.70 1itw s LYS 374 Ca -0.12 -1.16 -0.24 0.00 -0.36 0.00 0.00 55.97 54.09 1itw s LYS 374 Cb -0.06 -4.10 0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1itw s LYS 374 CO 0.00 -1.04 0.90 0.00 -0.36 0.00 0.00 175.35 174.85 1itw s ALA 375 N 1.94 3.19 -0.19 3.13 0.00 0.24 -2.01 121.76 128.05 1itw s ALA 375 Ca 0.08 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.44 1itw s ALA 375 Cb -0.22 -3.69 -0.00 0.00 0.00 0.00 0.00 23.12 19.21 1itw s ALA 375 CO 0.09 -2.34 1.10 0.08 0.00 0.00 0.00 175.76 174.69 1itw s VAL 376 N 3.79 4.57 -0.37 0.00 1.01 -0.18 -0.68 120.40 128.54 1itw s VAL 376 Ca 0.29 1.89 0.01 0.00 0.00 0.00 0.00 61.98 64.16 1itw s VAL 376 Cb -0.13 -4.22 0.14 0.00 0.00 0.00 0.00 36.38 32.17 1itw s VAL 376 CO 0.18 -0.14 0.23 -0.63 0.00 0.00 0.00 175.10 174.73 1itw s ILE 377 N 3.12 0.36 0.17 2.22 1.01 -0.56 -1.51 121.20 126.02 1itw s ILE 377 Ca 0.48 -1.92 -0.22 0.00 0.00 0.00 0.00 60.65 58.99 1itw s ILE 377 Cb -0.17 -1.27 0.09 0.00 0.01 0.00 0.00 42.46 41.11 1itw s ILE 377 CO 0.10 -0.99 1.59 -0.65 0.00 0.00 0.00 174.94 174.99 1itw h PRO 378 N 6.86 -0.20 -6.59 2.79 0.11 -1.90 -3.35 132.00 129.72 1itw h PRO 378 Ca 0.07 0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.67 1itw h PRO 378 Cb 0.96 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1itw h PRO 378 CO 0.31 -0.14 0.41 0.34 -0.21 0.00 0.00 178.00 178.71 1itw s ASP 379 N -5.12 7.39 0.25 -2.05 -1.08 -1.26 -0.58 116.67 114.22 1itw s ASP 379 Ca -0.15 1.91 0.24 0.00 -0.52 0.00 0.00 52.55 54.03 1itw s ASP 379 Cb 0.14 -2.59 0.97 0.00 -1.46 0.00 0.00 42.92 39.98 1itw s ASP 379 CO 0.68 -0.15 1.71 0.54 0.52 0.00 0.00 175.17 178.47 1itw n ARG 380 N 2.77 0.19 -0.21 4.34 1.74 -1.26 -3.57 116.66 120.66 1itw n ARG 380 Ca 0.03 0.41 0.01 0.00 -0.77 0.00 0.00 57.85 57.54 1itw n ARG 380 Cb 0.48 -1.86 0.11 0.00 -1.02 0.00 0.00 32.46 30.17 1itw n ARG 380 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1itw n TYR 382 N -5.24 0.00 -0.34 0.00 4.02 -1.26 -4.73 117.16 109.61 1itw n TYR 382 Ca 0.10 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.04 1itw n TYR 382 Cb 0.36 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 39.89 1itw n TYR 382 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1itw h ALA 383 N 0.00 1.38 -0.70 -0.72 0.00 -1.62 -2.38 119.26 115.22 1itw h ALA 383 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1itw h ALA 383 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1itw h ALA 383 CO 0.00 0.19 0.46 0.78 0.00 0.00 0.00 179.25 180.69 1itw h GLY 384 N 0.93 0.97 0.70 0.00 0.00 -1.85 -2.52 103.07 101.29 1itw h GLY 384 Ca 0.46 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.49 1itw h GLY 384 CO -0.25 0.30 0.14 -2.08 0.00 0.00 0.00 176.54 174.64 1itw h VAL 385 N 0.86 0.90 -0.45 4.60 2.07 -1.76 -1.10 116.25 121.38 1itw h VAL 385 Ca 0.28 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.60 1itw h VAL 385 Cb 0.05 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1itw h VAL 385 CO -0.08 0.05 -0.12 1.88 0.02 0.00 0.00 177.57 179.33 1itw h TYR 386 N 0.30 0.90 -0.78 1.57 0.99 -1.56 -2.74 116.97 115.65 1itw h TYR 386 Ca 0.17 -0.17 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1itw h TYR 386 Cb 0.14 -0.23 -0.04 0.00 1.00 0.00 0.00 36.73 37.60 1itw h TYR 386 CO -0.14 0.89 0.36 0.37 -0.00 0.00 0.00 178.16 179.64 1itw h GLN 387 N 0.74 1.13 -0.97 4.88 5.75 -1.03 -1.66 115.11 123.95 1itw h GLN 387 Ca 0.12 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1itw h GLN 387 Cb 0.62 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.92 1itw h GLN 387 CO 0.04 0.89 0.62 0.28 -2.65 0.00 0.00 178.83 178.01 1itw h VAL 388 N 1.11 1.25 -0.35 2.39 2.07 -0.97 -0.38 116.25 121.37 1itw h VAL 388 Ca 0.27 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1itw h VAL 388 Cb 0.14 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1itw h VAL 388 CO -0.03 0.25 0.06 0.58 0.02 0.00 0.00 177.57 178.46 1itw h VAL 389 N 1.32 1.24 -0.47 2.57 2.07 -1.16 -0.23 116.25 121.59 1itw h VAL 389 Ca 0.35 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1itw h VAL 389 Cb -0.12 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1itw h VAL 389 CO -0.07 0.28 0.31 0.40 0.02 0.00 0.00 177.57 178.50 1itw h ILE 390 N 0.42 1.13 -0.43 4.57 2.04 -0.87 -1.08 117.51 123.29 1itw h ILE 390 Ca 0.11 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1itw h ILE 390 Cb 0.35 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1itw h ILE 390 CO 0.01 0.12 -0.01 -0.33 0.00 0.00 0.00 178.15 177.94 1itw h GLU 391 N 0.64 0.70 -0.72 2.37 5.08 -0.93 -1.22 114.58 120.50 1itw h GLU 391 Ca 0.17 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1itw h GLU 391 Cb -0.06 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1itw h GLU 391 CO -0.04 0.72 0.34 0.22 -1.00 0.00 0.00 179.01 179.25 1itw h ASP 392 N 0.66 0.95 0.24 1.42 3.58 -0.46 -1.86 116.42 120.95 1itw h ASP 392 Ca 0.13 -0.14 -0.17 0.00 0.42 0.00 0.00 57.03 57.27 1itw h ASP 392 Cb 0.42 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1itw h ASP 392 CO 0.02 0.83 -0.65 0.00 -2.88 0.00 0.00 179.24 176.56 1itw h LYS 394 N 0.27 1.10 0.14 0.00 1.57 -1.02 0.52 116.57 119.16 1itw h LYS 394 Ca -0.01 -0.27 -0.30 0.00 -1.87 0.00 0.00 60.65 58.20 1itw h LYS 394 Cb 1.19 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.37 1itw h LYS 394 CO 0.11 0.98 -1.41 0.37 -0.57 0.00 0.00 179.45 178.93 1itw h GLN 395 N 1.04 0.31 -0.01 3.15 4.15 -1.25 -3.33 115.11 119.17 1itw h GLN 395 Ca 0.21 -0.52 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1itw h GLN 395 Cb 0.39 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1itw h GLN 395 CO 0.01 1.21 -0.13 0.72 -1.93 0.00 0.00 178.83 178.71 1itw n HIS 396 N -3.53 0.00 0.00 3.99 8.25 0.40 -5.07 115.22 119.26 1itw n HIS 396 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1itw n HIS 396 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 1itw n HIS 396 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1itw n GLY 397 N 0.76 -0.99 3.70 -1.41 0.00 0.18 -4.93 105.19 102.50 1itw n GLY 397 Ca 0.05 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1itw n GLY 397 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itw n ALA 398 N -0.70 0.20 -1.78 4.61 0.00 -1.26 -4.49 120.51 117.09 1itw n ALA 398 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 1itw n ALA 398 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.18 1itw n ALA 398 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1itw s PHE 399 N -1.99 2.77 -0.41 0.00 0.40 -1.26 -5.01 117.98 112.48 1itw s PHE 399 Ca 0.75 1.55 -0.09 0.00 -0.60 0.00 0.00 56.93 58.55 1itw s PHE 399 Cb -0.31 -3.23 0.08 0.00 0.51 0.00 0.00 43.02 40.07 1itw s PHE 399 CO 0.49 -1.37 0.25 0.34 0.70 0.00 0.00 175.22 175.63 1itw s ASP 400 N -1.81 5.61 0.63 1.36 -1.08 -1.26 -4.95 116.67 115.16 1itw s ASP 400 Ca 0.71 -1.50 0.37 0.00 -0.52 0.00 0.00 52.55 51.61 1itw s ASP 400 Cb -0.22 -1.98 2.11 0.00 -1.46 0.00 0.00 42.92 41.37 1itw s ASP 400 CO 0.25 -0.53 2.30 -0.65 0.52 0.00 0.00 175.17 177.07 1itw h PRO 401 N 8.38 0.00 0.00 4.34 0.11 -1.88 -0.64 132.00 142.31 1itw h PRO 401 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1itw h PRO 401 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1itw h PRO 401 CO 0.75 0.01 0.00 1.79 -0.21 0.00 0.00 178.00 180.33 1itw h THR 402 N 0.00 0.00 0.00 -1.15 1.35 -1.85 -3.38 112.91 107.87 1itw h THR 402 Ca -0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1itw h THR 402 Cb 0.03 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1itw h THR 402 CO 0.00 0.00 -0.47 0.35 -0.25 0.00 0.00 175.52 175.15 1itw n THR 403 N -2.62 0.00 -1.78 6.82 -2.24 -0.90 -4.94 114.28 108.62 1itw n THR 403 Ca 0.04 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.46 1itw n THR 403 Cb 0.40 0.20 0.06 0.00 -2.10 0.00 0.00 70.33 68.89 1itw n THR 403 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1itw s MET 404 N -0.97 2.62 0.00 -0.78 0.23 -0.30 -3.75 119.30 116.36 1itw s MET 404 Ca 0.00 1.93 0.00 0.00 -1.03 0.00 0.00 55.69 56.59 1itw s MET 404 Cb 0.00 -1.87 0.00 0.00 -1.53 0.00 0.00 34.83 31.43 1itw s MET 404 CO 0.00 -1.51 0.00 0.41 -2.03 0.00 0.00 175.02 171.89 1itw n GLY 405 N 0.68 -0.19 3.15 3.16 0.00 0.54 -4.80 105.19 107.73 1itw n GLY 405 Ca 0.15 -1.62 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 1itw n GLY 405 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1itw s SER 406 N -1.00 1.46 -0.43 1.61 0.01 -1.24 -4.94 113.70 109.17 1itw s SER 406 Ca 0.00 -0.63 0.02 0.00 1.31 0.00 0.00 55.95 56.65 1itw s SER 406 Cb 0.00 -0.02 0.13 0.00 0.21 0.00 0.00 66.02 66.34 1itw s SER 406 CO 0.00 -0.13 0.22 -0.69 0.41 0.00 0.00 173.24 173.05 1itw s VAL 407 N -1.45 1.51 0.99 3.43 1.01 -1.26 -1.77 120.40 122.85 1itw s VAL 407 Ca -0.03 -2.50 -0.15 0.00 0.00 0.00 0.00 61.98 59.30 1itw s VAL 407 Cb -0.09 -2.06 0.19 0.00 0.00 0.00 0.00 36.38 34.41 1itw s VAL 407 CO 0.02 -0.85 1.18 -2.84 0.00 0.00 0.00 175.10 172.61 1itw s PRO 408 N 0.44 0.49 -0.01 2.72 0.02 -1.24 -4.82 135.00 132.61 1itw s PRO 408 Ca 0.16 0.02 0.01 0.00 0.02 0.00 0.00 61.00 61.21 1itw s PRO 408 Cb -0.24 -1.79 -0.00 0.00 0.02 0.00 0.00 34.50 32.49 1itw s PRO 408 CO -0.02 -2.59 -0.04 1.21 -0.33 0.00 0.00 177.00 175.23 1itw s ASN 409 N -4.24 0.52 -0.30 2.53 3.84 -0.86 -1.46 114.94 114.97 1itw s ASN 409 Ca 0.68 -0.08 0.02 0.00 0.21 0.00 0.00 52.86 53.69 1itw s ASN 409 Cb -0.11 -0.08 0.07 0.00 -0.55 0.00 0.00 41.25 40.59 1itw s ASN 409 CO 0.54 0.04 -0.02 -0.69 -2.79 0.00 0.00 177.10 174.18 1itw s VAL 410 N -0.03 2.43 -0.01 -5.21 1.01 0.09 -2.10 120.40 116.58 1itw s VAL 410 Ca 0.01 -1.83 0.03 0.00 0.00 0.00 0.00 61.98 60.19 1itw s VAL 410 Cb -0.03 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1itw s VAL 410 CO -0.00 -0.26 -0.09 -0.83 0.00 0.00 0.00 175.10 173.92 1itw s GLY 411 N 1.13 1.68 -0.31 4.51 0.00 0.30 -1.39 107.32 113.23 1itw s GLY 411 Ca -0.01 -1.01 -0.25 0.00 0.00 0.00 0.00 44.72 43.45 1itw s GLY 411 CO -0.05 -0.85 0.88 -2.27 0.00 0.00 0.00 173.10 170.81 1itw s LEU 412 N -1.19 4.05 0.00 0.66 2.96 -0.18 -0.71 118.68 124.26 1itw s LEU 412 Ca 0.15 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 54.83 1itw s LEU 412 Cb -0.11 -3.22 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1itw s LEU 412 CO 0.05 -0.70 0.00 1.15 -1.32 0.00 0.00 176.35 175.53 1itw n MET 413 N 6.41 0.60 -1.60 1.98 0.00 -1.26 -1.61 117.12 121.64 1itw n MET 413 Ca 0.06 0.00 -0.47 0.00 0.00 0.00 0.00 57.70 57.29 1itw n MET 413 Cb 0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 33.22 33.61 1itw n MET 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1itw n ALA 414 N 0.00 -0.24 -3.46 3.17 0.00 -0.99 -2.55 120.51 116.43 1itw n ALA 414 Ca 0.00 0.44 -0.19 0.00 0.00 0.00 0.00 53.44 53.70 1itw n ALA 414 Cb 0.00 -2.09 0.09 0.00 0.00 0.00 0.00 19.45 17.44 1itw n ALA 414 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1itw n GLN 415 N 1.76 -6.90 -3.92 0.00 6.02 -1.21 -3.20 117.38 109.93 1itw n GLN 415 Ca 0.14 0.83 -0.27 0.00 -0.01 0.00 0.00 57.00 57.70 1itw n GLN 415 Cb 0.27 -5.83 -0.00 0.00 1.02 0.00 0.00 30.24 25.70 1itw n GLN 415 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1itw n LYS 416 N -4.31 -3.98 -1.77 -1.09 5.02 -1.06 -4.88 118.16 106.08 1itw n LYS 416 Ca -0.21 0.48 -0.40 0.00 -2.02 0.00 0.00 58.31 56.16 1itw n LYS 416 Cb 0.64 -4.90 0.02 0.00 -0.02 0.00 0.00 35.03 30.77 1itw n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1itw s ALA 417 N -3.71 3.21 0.00 7.82 0.00 -1.13 -2.35 121.76 125.61 1itw s ALA 417 Ca 0.20 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1itw s ALA 417 Cb -0.10 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1itw s ALA 417 CO 0.87 -1.24 0.00 0.39 0.00 0.00 0.00 175.76 175.77 1itw n GLU 418 N -0.29 0.00 -0.20 0.00 1.02 0.07 -2.87 120.64 118.37 1itw n GLU 418 Ca 0.06 0.00 0.23 0.00 -0.02 0.00 0.00 57.16 57.43 1itw n GLU 418 Cb 0.42 0.00 0.61 0.00 -0.02 0.00 0.00 31.44 32.45 1itw n GLU 418 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1itw h GLU 419 N 0.00 0.21 0.00 3.49 3.07 -1.88 -1.98 114.58 117.48 1itw h GLU 419 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1itw h GLU 419 Cb 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1itw h GLU 419 CO 0.00 0.14 0.00 1.88 -1.40 0.00 0.00 179.01 179.63 1itw h TYR 420 N 0.21 0.00 -0.11 4.33 -1.99 -1.75 -2.41 116.97 115.24 1itw h TYR 420 Ca 0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.17 1itw h TYR 420 Cb 1.39 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.12 1itw h TYR 420 CO -0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1itw n GLY 421 N -0.74 4.45 0.03 3.88 0.00 -0.75 -4.67 105.19 107.40 1itw n GLY 421 Ca -0.02 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.07 1itw n GLY 421 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1itw n SER 422 N -0.99 0.59 -0.25 1.61 3.41 -0.91 -4.46 113.62 112.62 1itw n SER 422 Ca 0.18 -0.05 0.05 0.00 -0.26 0.00 0.00 58.87 58.78 1itw n SER 422 Cb 0.73 0.24 0.17 0.00 -0.26 0.00 0.00 64.21 65.10 1itw n SER 422 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1itw h HIS 423 N 0.00 0.45 -0.01 7.33 3.86 -1.83 -0.16 115.15 124.79 1itw h HIS 423 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1itw h HIS 423 Cb 0.64 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1itw h HIS 423 CO 0.00 0.04 0.00 -0.40 0.86 0.00 0.00 177.93 178.43 1itw n ASP 424 N -5.03 0.08 -0.26 2.45 5.68 -1.26 -2.81 116.55 115.39 1itw n ASP 424 Ca 0.13 -1.41 0.07 0.00 -0.50 0.00 0.00 54.79 53.09 1itw n ASP 424 Cb 0.40 -0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.49 1itw n ASP 424 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1itw n LYS 425 N -0.75 0.98 -4.37 0.11 5.02 -0.11 -5.00 118.16 114.03 1itw n LYS 425 Ca 0.15 -2.27 -0.34 0.00 -2.02 0.00 0.00 58.31 53.82 1itw n LYS 425 Cb 0.08 -1.24 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 1itw n LYS 425 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1itw s THR 426 N -2.18 3.19 -0.01 -0.18 2.01 -0.94 -2.17 115.64 115.36 1itw s THR 426 Ca 0.25 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1itw s THR 426 Cb 0.23 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 70.35 1itw s THR 426 CO 0.01 0.48 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.02 1itw s PHE 427 N 0.83 0.39 -0.18 4.92 0.40 0.23 -4.99 117.98 119.58 1itw s PHE 427 Ca -0.03 -0.07 -0.24 0.00 -0.60 0.00 0.00 56.93 55.98 1itw s PHE 427 Cb -0.15 -0.27 -0.02 0.00 0.51 0.00 0.00 43.02 43.09 1itw s PHE 427 CO 0.01 -0.02 0.80 -1.14 0.70 0.00 0.00 175.22 175.56 1itw s GLN 428 N 0.03 4.27 -0.02 0.44 0.74 -1.26 -1.29 119.66 122.57 1itw s GLN 428 Ca 0.00 0.95 -0.30 0.00 0.05 0.00 0.00 55.36 56.06 1itw s GLN 428 Cb -0.03 -3.58 -0.06 0.00 1.10 0.00 0.00 33.01 30.44 1itw s GLN 428 CO -0.00 -0.33 1.63 0.42 -0.55 0.00 0.00 175.29 176.45 1itw s ILE 429 N 2.18 3.47 0.21 -2.34 -1.09 0.31 -4.87 121.20 119.07 1itw s ILE 429 Ca 0.36 0.69 -0.05 0.00 -2.23 0.00 0.00 60.65 59.42 1itw s ILE 429 Cb -0.16 -3.45 0.05 0.00 -1.58 0.00 0.00 42.46 37.32 1itw s ILE 429 CO 0.11 -0.04 1.65 -0.65 -1.23 0.00 0.00 174.94 174.78 1itw h PRO 430 N 9.07 0.86 -3.46 2.79 0.11 -1.91 0.40 132.00 139.87 1itw h PRO 430 Ca -0.40 -0.31 -0.05 0.00 0.11 0.00 0.00 66.00 65.34 1itw h PRO 430 Cb 1.18 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.11 1itw h PRO 430 CO 0.94 0.95 -0.11 0.00 -0.21 0.00 0.00 178.00 179.57 1itw s ALA 431 N -4.76 -0.78 0.49 -0.75 0.00 -1.26 -4.71 121.76 109.99 1itw s ALA 431 Ca -0.10 -0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.42 1itw s ALA 431 Cb 0.13 0.71 -0.07 0.00 0.00 0.00 0.00 23.12 23.89 1itw s ALA 431 CO 0.84 -0.65 1.34 -0.25 0.00 0.00 0.00 175.76 177.04 1itw n ASP 432 N -0.22 2.77 0.00 0.00 8.00 -1.26 -4.16 116.55 121.68 1itw n ASP 432 Ca -0.14 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.40 1itw n ASP 432 Cb 0.63 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 1itw n ASP 432 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1itw n GLY 433 N 0.74 -0.62 3.01 0.44 0.00 -0.67 -2.22 105.19 105.86 1itw n GLY 433 Ca 0.08 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 1itw n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itw s VAL 434 N -4.00 -0.01 -0.15 1.61 0.11 -0.73 -0.76 120.40 116.47 1itw s VAL 434 Ca 0.00 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.96 1itw s VAL 434 Cb 0.00 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.59 1itw s VAL 434 CO 0.00 0.01 0.24 -0.69 -3.33 0.00 0.00 175.10 171.33 1itw s VAL 435 N 0.28 5.34 -0.05 2.04 1.01 0.16 -0.77 120.40 128.42 1itw s VAL 435 Ca -0.02 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.45 1itw s VAL 435 Cb -0.03 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1itw s VAL 435 CO -0.01 0.46 -0.20 -0.13 0.00 0.00 0.00 175.10 175.22 1itw s ARG 436 N 0.02 2.05 -0.24 2.72 0.52 0.80 -0.84 118.95 123.98 1itw s ARG 436 Ca 0.15 -0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 54.61 1itw s ARG 436 Cb -0.13 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 33.59 1itw s ARG 436 CO 0.03 0.30 -0.04 0.08 0.02 0.00 0.00 175.30 175.69 1itw s VAL 437 N -0.04 3.18 0.09 3.52 1.01 0.65 -1.30 120.40 127.50 1itw s VAL 437 Ca -0.03 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1itw s VAL 437 Cb -0.12 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1itw s VAL 437 CO 0.03 0.26 -0.19 0.42 0.00 0.00 0.00 175.10 175.62 1itw s THR 438 N 1.40 1.50 0.82 3.92 -4.23 -0.65 -0.24 115.64 118.16 1itw s THR 438 Ca 0.03 -1.43 -0.06 0.00 -1.18 0.00 0.00 61.69 59.04 1itw s THR 438 Cb -0.16 -1.38 0.16 0.00 1.34 0.00 0.00 72.50 72.47 1itw s THR 438 CO -0.03 -0.09 1.13 1.51 -0.54 0.00 0.00 174.62 176.59 1itw s ASP 439 N -1.79 3.80 0.54 3.99 3.84 -0.78 0.10 116.67 126.37 1itw s ASP 439 Ca 0.04 -0.20 0.24 0.00 -0.00 0.00 0.00 52.55 52.63 1itw s ASP 439 Cb -0.10 -0.01 1.41 0.00 -1.38 0.00 0.00 42.92 42.84 1itw s ASP 439 CO 0.03 -2.25 2.04 -0.33 -0.00 0.00 0.00 175.17 174.67 1itw h GLU 440 N -0.98 0.00 -0.07 2.11 5.08 -1.83 0.22 114.58 119.12 1itw h GLU 440 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1itw h GLU 440 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1itw h GLU 440 CO 0.37 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.25 1itw n SER 441 N -4.31 0.78 0.00 1.42 3.41 -1.26 -4.89 113.62 108.77 1itw n SER 441 Ca 0.06 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 1itw n SER 441 Cb 0.46 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1itw n SER 441 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1itw n GLY 442 N 0.97 0.64 3.73 5.00 0.00 0.07 -5.02 105.19 110.58 1itw n GLY 442 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1itw n GLY 442 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1itw s LYS 443 N -0.14 4.47 -0.39 1.61 2.20 -1.26 -4.79 119.74 121.45 1itw s LYS 443 Ca 0.00 1.86 -0.28 0.00 -0.36 0.00 0.00 55.97 57.18 1itw s LYS 443 Cb 0.00 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1itw s LYS 443 CO 0.00 -0.14 1.07 -1.17 -0.36 0.00 0.00 175.35 174.76 1itw s LEU 444 N 0.11 3.83 -0.19 5.43 2.96 -1.26 -1.86 118.68 127.69 1itw s LEU 444 Ca 0.55 0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 55.15 1itw s LEU 444 Cb -0.32 -3.50 -0.21 0.00 0.50 0.00 0.00 46.19 42.66 1itw s LEU 444 CO 0.35 -1.02 0.06 0.18 -1.32 0.00 0.00 176.35 174.60 1itw n LEU 445 N 7.23 2.70 -3.81 -0.68 4.32 0.67 -4.98 117.00 122.44 1itw n LEU 445 Ca 0.11 0.08 -0.13 0.00 -0.02 0.00 0.00 56.01 56.05 1itw n LEU 445 Cb 0.48 -1.01 -0.14 0.00 -1.62 0.00 0.00 43.42 41.13 1itw n LEU 445 CO 0.64 0.84 -0.29 -0.76 -1.22 0.00 0.00 177.39 176.60 1itw s LEU 446 N -6.90 1.43 -0.04 2.23 1.43 -1.05 -4.75 118.68 111.03 1itw s LEU 446 Ca -0.29 0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1itw s LEU 446 Cb 0.08 0.19 0.03 0.00 0.03 0.00 0.00 46.19 46.51 1itw s LEU 446 CO 0.67 -0.07 0.00 -0.70 0.23 0.00 0.00 176.35 176.49 1itw s GLU 447 N 0.45 0.40 -0.05 1.70 2.12 -1.26 -0.26 118.70 121.80 1itw s GLU 447 Ca -0.03 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.38 1itw s GLU 447 Cb -0.05 -0.63 0.03 0.00 0.26 0.00 0.00 34.13 33.73 1itw s GLU 447 CO -0.02 -0.18 0.01 -1.14 -0.54 0.00 0.00 175.26 173.39 1itw s GLN 448 N 1.32 0.40 0.24 4.30 2.00 -0.02 -4.97 119.66 122.93 1itw s GLN 448 Ca -0.05 0.13 -0.30 0.00 -2.00 0.00 0.00 55.36 53.13 1itw s GLN 448 Cb -0.13 -0.70 -0.09 0.00 0.80 0.00 0.00 33.01 32.89 1itw s GLN 448 CO -0.02 -0.23 1.14 -1.12 -0.50 0.00 0.00 175.29 174.56 1itw s SER 449 N 1.57 7.19 0.10 6.67 0.01 -1.26 0.40 113.70 128.38 1itw s SER 449 Ca -0.02 2.26 -0.00 0.00 1.31 0.00 0.00 55.95 59.50 1itw s SER 449 Cb -0.13 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 1itw s SER 449 CO -0.03 -0.24 -0.01 0.68 0.41 0.00 0.00 173.24 174.06 1itw s VAL 450 N -0.75 0.33 0.13 3.43 -7.23 0.06 -4.89 120.40 111.48 1itw s VAL 450 Ca 0.48 -1.89 0.09 0.00 -1.81 0.00 0.00 61.98 58.85 1itw s VAL 450 Cb -0.32 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1itw s VAL 450 CO 0.40 -0.74 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.61 1itw s GLU 451 N -3.94 1.28 0.23 4.82 2.02 -1.26 -1.67 118.70 120.17 1itw s GLU 451 Ca 0.15 -1.31 -0.31 0.00 0.02 0.00 0.00 54.97 53.52 1itw s GLU 451 Cb 0.07 -1.58 -0.14 0.00 0.10 0.00 0.00 34.13 32.58 1itw s GLU 451 CO -0.04 0.36 1.25 0.00 0.02 0.00 0.00 175.26 176.85 1itw n ALA 452 N 0.77 0.29 0.00 5.21 0.00 -1.26 -1.45 120.51 124.07 1itw n ALA 452 Ca -0.17 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1itw n ALA 452 Cb 0.54 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1itw n ALA 452 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itw n GLY 453 N 1.85 2.49 3.71 0.00 0.00 0.14 -4.87 105.19 108.51 1itw n GLY 453 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1itw n GLY 453 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1itw s ASP 454 N -1.59 3.53 -0.30 1.61 -0.00 -0.53 -4.58 116.67 114.81 1itw s ASP 454 Ca 0.00 1.76 -0.04 0.00 -0.00 0.00 0.00 52.55 54.27 1itw s ASP 454 Cb 0.00 -2.39 0.03 0.00 -0.00 0.00 0.00 42.92 40.56 1itw s ASP 454 CO 0.00 -2.64 0.03 -0.63 -0.00 0.00 0.00 175.17 171.93 1itw s ILE 455 N -2.83 3.37 -0.08 0.77 1.01 -0.73 -0.53 121.20 122.19 1itw s ILE 455 Ca 0.64 -1.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 1itw s ILE 455 Cb -0.19 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1itw s ILE 455 CO 0.57 -0.01 0.05 0.86 0.00 0.00 0.00 174.94 176.42 1itw s TRP 456 N 1.36 3.29 0.03 3.97 -0.00 -0.41 -0.75 118.94 126.43 1itw s TRP 456 Ca -0.01 0.28 -0.11 0.00 -0.00 0.00 0.00 56.10 56.25 1itw s TRP 456 Cb -0.18 -1.81 0.01 0.00 -0.00 0.00 0.00 33.47 31.48 1itw s TRP 456 CO -0.00 0.55 0.23 -0.98 -0.00 0.00 0.00 176.95 176.75 1itw s ARG 457 N -1.09 0.70 -0.02 5.86 1.70 -0.58 -0.60 118.95 124.92 1itw s ARG 457 Ca 0.16 -0.54 0.03 0.00 -0.47 0.00 0.00 55.73 54.91 1itw s ARG 457 Cb -0.12 0.30 -0.00 0.00 -0.57 0.00 0.00 34.95 34.56 1itw s ARG 457 CO 0.05 -0.21 -0.12 1.41 -1.08 0.00 0.00 175.30 175.35 1itw s MET 458 N -2.37 1.16 0.24 3.89 1.75 -0.92 -1.65 119.30 121.40 1itw s MET 458 Ca -0.06 -0.42 0.11 0.00 -1.25 0.00 0.00 55.69 54.06 1itw s MET 458 Cb -0.02 -1.08 -0.05 0.00 2.84 0.00 0.00 34.83 36.53 1itw s MET 458 CO -0.03 0.20 -0.15 0.00 -0.65 0.00 0.00 175.02 174.39 1itw s GLN 460 N -3.20 0.79 -0.10 0.00 -0.21 -1.26 -1.63 119.66 114.05 1itw s GLN 460 Ca 0.27 -0.54 -0.03 0.00 0.02 0.00 0.00 55.36 55.07 1itw s GLN 460 Cb -0.07 -0.75 0.05 0.00 1.00 0.00 0.00 33.01 33.24 1itw s GLN 460 CO 0.15 0.19 0.11 0.00 -2.12 0.00 0.00 175.29 173.62 1itw s ALA 461 N -0.60 0.15 0.40 6.09 0.00 0.14 -0.75 121.76 127.19 1itw s ALA 461 Ca 0.01 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 1itw s ALA 461 Cb -0.06 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 1itw s ALA 461 CO 0.00 -0.76 0.78 0.15 0.00 0.00 0.00 175.76 175.93 1itw s LYS 462 N 2.20 3.81 0.17 0.00 1.02 -1.26 -0.65 119.74 125.03 1itw s LYS 462 Ca 0.04 0.52 -0.11 0.00 0.02 0.00 0.00 55.97 56.44 1itw s LYS 462 Cb -0.13 -2.38 0.05 0.00 -0.52 0.00 0.00 37.83 34.85 1itw s LYS 462 CO -0.06 -0.03 1.64 0.22 -0.92 0.00 0.00 175.35 176.21 1itw h ASP 463 N 1.36 0.96 -0.17 2.83 1.82 -1.85 -2.76 116.42 118.61 1itw h ASP 463 Ca -0.47 -0.28 -0.00 0.00 -0.39 0.00 0.00 57.03 55.88 1itw h ASP 463 Cb 1.19 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.93 1itw h ASP 463 CO 0.64 1.00 0.10 0.00 -1.61 0.00 0.00 179.24 179.38 1itw h ALA 464 N 0.99 0.21 -0.70 -0.78 0.00 -1.94 -0.24 119.26 116.80 1itw h ALA 464 Ca 0.17 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1itw h ALA 464 Cb 0.48 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1itw h ALA 464 CO 0.02 -0.28 0.39 -1.35 0.00 0.00 0.00 179.25 178.03 1itw h PRO 465 N 0.20 0.69 -0.73 0.00 0.11 -1.89 -1.60 132.00 128.78 1itw h PRO 465 Ca 0.06 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1itw h PRO 465 Cb 0.02 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 1itw h PRO 465 CO -0.01 0.45 0.28 0.82 -0.21 0.00 0.00 178.00 179.33 1itw h ILE 466 N 0.71 1.25 -0.57 4.15 2.04 -1.14 -0.19 117.51 123.76 1itw h ILE 466 Ca 0.32 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 1itw h ILE 466 Cb 0.22 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1itw h ILE 466 CO -0.20 0.32 0.11 1.56 0.00 0.00 0.00 178.15 179.95 1itw h GLN 467 N 1.05 0.94 -0.52 2.37 4.20 -0.55 -1.44 115.11 121.16 1itw h GLN 467 Ca 0.24 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1itw h GLN 467 Cb 0.23 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1itw h GLN 467 CO -0.02 0.89 0.04 0.22 -0.67 0.00 0.00 178.83 179.29 1itw h ASP 468 N 0.84 0.80 -0.41 1.46 1.82 -1.09 -0.91 116.42 118.92 1itw h ASP 468 Ca 0.18 -0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1itw h ASP 468 Cb 0.39 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1itw h ASP 468 CO 0.01 0.84 0.19 -0.25 -1.61 0.00 0.00 179.24 178.43 1itw h TRP 469 N 0.79 0.59 -0.59 0.28 7.01 -0.70 0.18 115.95 123.50 1itw h TRP 469 Ca 0.16 -0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.06 1itw h TRP 469 Cb 0.42 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1itw h TRP 469 CO 0.02 0.49 0.10 0.28 -2.79 0.00 0.00 178.44 176.54 1itw h VAL 470 N 0.52 1.26 -0.60 2.65 2.07 -1.00 -1.71 116.25 119.43 1itw h VAL 470 Ca 0.14 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.71 1itw h VAL 470 Cb 0.12 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1itw h VAL 470 CO -0.02 0.36 0.35 0.50 0.02 0.00 0.00 177.57 178.79 1itw h LYS 471 N 0.88 0.67 -0.72 1.57 3.64 -0.68 -1.38 116.57 120.54 1itw h LYS 471 Ca 0.18 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1itw h LYS 471 Cb 0.42 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1itw h LYS 471 CO 0.01 0.44 0.30 1.25 -2.27 0.00 0.00 179.45 179.19 1itw h LEU 472 N 0.69 0.98 -0.38 5.20 5.85 -0.74 -0.80 115.31 126.12 1itw h LEU 472 Ca 0.25 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1itw h LEU 472 Cb 0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1itw h LEU 472 CO -0.12 0.88 0.18 0.00 -0.34 0.00 0.00 178.44 179.03 1itw h ALA 473 N 1.15 0.49 -0.47 1.25 0.00 -0.70 -0.49 119.26 120.49 1itw h ALA 473 Ca 0.24 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1itw h ALA 473 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1itw h ALA 473 CO -0.02 0.06 -0.01 0.28 0.00 0.00 0.00 179.25 179.56 1itw h VAL 474 N 0.47 1.24 -0.06 0.00 2.07 -1.10 -1.48 116.25 117.39 1itw h VAL 474 Ca 0.13 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1itw h VAL 474 Cb 0.13 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1itw h VAL 474 CO -0.02 0.35 0.01 -1.13 0.02 0.00 0.00 177.57 176.81 1itw h ASN 475 N 0.73 0.01 -0.62 0.57 -0.73 -0.67 -1.11 115.58 113.76 1itw h ASN 475 Ca 0.14 0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.23 1itw h ASN 475 Cb 0.45 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 1itw h ASN 475 CO 0.02 0.02 0.03 0.03 -0.37 0.00 0.00 177.43 177.15 1itw h ARG 476 N 0.04 1.07 -0.56 6.67 2.47 -0.89 -0.55 114.38 122.63 1itw h ARG 476 Ca 0.03 -0.33 -0.04 0.00 -1.26 0.00 0.00 59.98 58.38 1itw h ARG 476 Cb 0.02 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 1itw h ARG 476 CO -0.03 1.03 0.20 0.00 0.56 0.00 0.00 179.97 181.72 1itw h ALA 477 N 1.00 0.74 -0.32 0.04 0.00 -1.15 -1.74 119.26 117.82 1itw h ALA 477 Ca 0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1itw h ALA 477 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1itw h ALA 477 CO 0.03 0.38 -0.26 -0.09 0.00 0.00 0.00 179.25 179.30 1itw h ARG 478 N 0.78 0.74 -0.20 0.00 9.65 -1.04 0.30 114.38 124.61 1itw h ARG 478 Ca 0.18 -0.37 -0.06 0.00 -1.10 0.00 0.00 59.98 58.63 1itw h ARG 478 Cb 0.25 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1itw h ARG 478 CO -0.01 0.99 -0.14 0.00 2.80 0.00 0.00 179.97 183.61 1itw h ALA 479 N 0.74 1.39 -0.01 2.80 0.00 -0.98 -3.16 119.26 120.04 1itw h ALA 479 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1itw h ALA 479 Cb 0.83 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1itw h ALA 479 CO 0.07 0.42 -0.05 0.25 0.00 0.00 0.00 179.25 179.94 1itw n THR 480 N -4.24 0.00 -4.10 0.00 -2.24 -0.67 -4.99 114.28 98.05 1itw n THR 480 Ca -0.00 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 1itw n THR 480 Cb 0.30 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.73 1itw n THR 480 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1itw n ASN 481 N 0.54 -0.79 -4.24 3.42 5.15 0.10 -4.95 115.26 114.51 1itw n ASN 481 Ca 0.07 -1.07 -0.28 0.00 -0.60 0.00 0.00 54.58 52.70 1itw n ASN 481 Cb 0.31 -2.67 -0.16 0.00 -0.53 0.00 0.00 39.78 36.73 1itw n ASN 481 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1itw s THR 482 N -3.87 1.74 0.46 -0.44 2.01 -1.09 -5.06 115.64 109.39 1itw s THR 482 Ca 0.19 -0.94 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 1itw s THR 482 Cb -0.11 -1.45 -0.08 0.00 0.01 0.00 0.00 72.50 70.88 1itw s THR 482 CO 0.92 0.49 1.43 -2.65 -0.69 0.00 0.00 174.62 174.12 1itw n PRO 483 N 2.58 2.20 -4.83 4.92 -0.02 -1.26 -4.62 135.00 133.96 1itw n PRO 483 Ca -0.16 0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1itw n PRO 483 Cb 0.52 -2.63 -0.15 0.00 -0.02 0.00 0.00 33.50 31.23 1itw n PRO 483 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1itw s ALA 484 N -1.20 2.03 -0.07 3.55 0.00 -0.16 -0.91 121.76 124.99 1itw s ALA 484 Ca 0.62 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1itw s ALA 484 Cb -0.45 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1itw s ALA 484 CO 0.57 0.47 -0.11 0.08 0.00 0.00 0.00 175.76 176.77 1itw s VAL 485 N -0.77 1.10 -0.17 0.00 1.01 0.26 -1.97 120.40 119.86 1itw s VAL 485 Ca 0.10 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 1itw s VAL 485 Cb -0.09 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1itw s VAL 485 CO 0.02 0.35 0.62 -0.36 0.00 0.00 0.00 175.10 175.73 1itw s PHE 486 N 0.83 3.42 -0.82 5.22 0.40 0.09 -0.31 117.98 126.81 1itw s PHE 486 Ca -0.11 0.97 -0.18 0.00 -0.60 0.00 0.00 56.93 57.00 1itw s PHE 486 Cb -0.15 -2.77 0.14 0.00 0.51 0.00 0.00 43.02 40.75 1itw s PHE 486 CO 0.02 -0.10 0.95 -1.58 0.70 0.00 0.00 175.22 175.21 1itw s TRP 487 N 1.60 3.22 -0.03 0.36 0.52 -0.31 -1.02 118.94 123.28 1itw s TRP 487 Ca 0.30 -1.40 0.01 0.00 0.02 0.00 0.00 56.10 55.03 1itw s TRP 487 Cb -0.16 -4.12 0.02 0.00 -1.15 0.00 0.00 33.47 28.06 1itw s TRP 487 CO 0.11 -1.35 -0.02 -0.51 0.02 0.00 0.00 176.95 175.21 1itw s LEU 488 N 2.18 1.39 -0.42 2.99 1.43 -0.15 -4.67 118.68 121.43 1itw s LEU 488 Ca 0.24 -0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 53.10 1itw s LEU 488 Cb -0.11 -0.29 0.02 0.00 0.03 0.00 0.00 46.19 45.85 1itw s LEU 488 CO -0.05 -0.05 0.48 -0.62 0.23 0.00 0.00 176.35 176.33 1itw s ASP 489 N 0.75 6.23 0.63 2.29 3.68 -1.26 -3.00 116.67 125.98 1itw s ASP 489 Ca -0.08 -0.56 0.32 0.00 2.13 0.00 0.00 52.55 54.36 1itw s ASP 489 Cb -0.12 -2.24 1.79 0.00 -1.45 0.00 0.00 42.92 40.90 1itw s ASP 489 CO -0.01 -0.61 2.08 -0.65 0.13 0.00 0.00 175.17 176.12 1itw h PRO 490 N 8.74 0.00 0.00 4.34 0.11 -1.95 -0.21 132.00 143.03 1itw h PRO 490 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1itw h PRO 490 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1itw h PRO 490 CO 0.81 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 1itw h ALA 491 N 1.66 1.00 -2.71 -0.75 0.00 -1.98 -3.42 119.26 113.06 1itw h ALA 491 Ca 0.05 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.39 1itw h ALA 491 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1itw h ALA 491 CO -0.00 0.00 0.05 1.03 0.00 0.00 0.00 179.25 180.33 1itw s ARG 492 N -3.32 4.36 0.28 0.00 0.52 -0.09 -4.95 118.95 115.75 1itw s ARG 492 Ca 0.06 0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 55.99 1itw s ARG 492 Cb 0.07 -3.48 0.47 0.00 0.52 0.00 0.00 34.95 32.54 1itw s ARG 492 CO 0.61 0.01 1.89 0.00 0.02 0.00 0.00 175.30 177.83 1itw h ALA 493 N 6.92 1.45 0.69 2.13 0.00 -1.84 -0.25 119.26 128.36 1itw h ALA 493 Ca -0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1itw h ALA 493 Cb 1.18 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1itw h ALA 493 CO 0.76 0.40 -0.33 1.25 0.00 0.00 0.00 179.25 181.33 1itw h HIS 494 N 1.11 -0.86 -0.99 0.00 -0.00 -1.89 -2.72 115.15 109.80 1itw h HIS 494 Ca 0.42 -0.02 0.16 0.00 -0.00 0.00 0.00 60.37 60.92 1itw h HIS 494 Cb 0.19 0.28 -0.09 0.00 -0.00 0.00 0.00 27.41 27.79 1itw h HIS 494 CO -0.00 -0.50 0.62 -0.44 -0.00 0.00 0.00 177.93 177.60 1itw h ASP 495 N -1.12 0.81 -0.95 3.26 5.19 -1.74 -0.33 116.42 121.53 1itw h ASP 495 Ca -0.09 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1itw h ASP 495 Cb 0.74 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.12 1itw h ASP 495 CO 0.16 0.37 0.63 0.00 -3.12 0.00 0.00 179.24 177.27 1itw h ALA 496 N 1.59 1.21 -0.40 3.45 0.00 -0.99 0.40 119.26 124.53 1itw h ALA 496 Ca 0.53 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.27 1itw h ALA 496 Cb 0.73 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1itw h ALA 496 CO -0.30 0.60 -0.17 1.96 0.00 0.00 0.00 179.25 181.34 1itw h GLN 497 N 1.29 0.75 -0.34 0.00 1.08 -0.76 -2.39 115.11 114.74 1itw h GLN 497 Ca 0.35 -0.27 -0.14 0.00 -1.45 0.00 0.00 58.65 57.14 1itw h GLN 497 Cb -0.15 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 1itw h GLN 497 CO -0.08 0.87 -0.34 0.28 -0.95 0.00 0.00 178.83 178.62 1itw h VAL 498 N 0.67 1.28 -0.81 -0.54 2.07 -0.35 -2.94 116.25 115.62 1itw h VAL 498 Ca 0.10 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1itw h VAL 498 Cb 0.66 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1itw h VAL 498 CO 0.05 0.49 0.47 0.40 0.02 0.00 0.00 177.57 178.99 1itw h ILE 499 N 0.63 1.23 -0.49 4.57 2.04 -0.02 0.73 117.51 126.20 1itw h ILE 499 Ca 0.07 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1itw h ILE 499 Cb 0.87 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1itw h ILE 499 CO 0.08 0.25 0.31 0.00 0.00 0.00 0.00 178.15 178.79 1itw h ALA 500 N 1.25 0.62 -0.35 1.87 0.00 -1.30 -0.15 119.26 121.20 1itw h ALA 500 Ca 0.29 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1itw h ALA 500 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1itw h ALA 500 CO -0.05 0.04 0.01 0.87 0.00 0.00 0.00 179.25 180.12 1itw h LYS 501 N 0.64 0.60 -0.79 0.00 1.57 -1.28 -2.65 116.57 114.66 1itw h LYS 501 Ca 0.18 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1itw h LYS 501 Cb -0.05 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1itw h LYS 501 CO -0.05 0.72 0.40 0.28 -0.57 0.00 0.00 179.45 180.22 1itw h VAL 502 N 0.42 1.25 -0.36 0.50 2.07 -0.57 0.11 116.25 119.66 1itw h VAL 502 Ca 0.10 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1itw h VAL 502 Cb 0.44 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1itw h VAL 502 CO 0.02 0.29 -0.03 -0.33 0.02 0.00 0.00 177.57 177.53 1itw h GLU 503 N 1.11 0.59 -0.01 1.57 5.08 -0.99 -1.39 114.58 120.54 1itw h GLU 503 Ca 0.27 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1itw h GLU 503 Cb 0.09 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1itw h GLU 503 CO -0.04 0.63 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.37 1itw h ARG 504 N 0.55 0.11 0.00 2.33 2.43 -1.07 -3.33 114.38 115.41 1itw h ARG 504 Ca 0.11 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1itw h ARG 504 Cb 0.40 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1itw h ARG 504 CO 0.02 0.84 -0.23 1.88 -1.51 0.00 0.00 179.97 180.96 1itw h TYR 505 N -0.58 0.00 0.00 2.20 0.99 -0.72 -2.25 116.97 116.61 1itw h TYR 505 Ca -0.02 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 1itw h TYR 505 Cb 0.88 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.61 1itw h TYR 505 CO 0.18 0.23 -0.18 -0.07 -0.00 0.00 0.00 178.16 178.32 1itw h LEU 506 N 0.00 0.00 0.00 3.88 3.38 -1.35 -0.81 115.31 120.40 1itw h LEU 506 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1itw h LEU 506 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1itw h LEU 506 CO 0.03 0.18 0.00 0.29 0.09 0.00 0.00 178.44 179.03 1itw n LYS 507 N -4.01 0.07 -0.01 1.13 5.02 -0.85 -1.99 118.16 117.54 1itw n LYS 507 Ca -0.02 0.19 0.14 0.00 -2.02 0.00 0.00 58.31 56.60 1itw n LYS 507 Cb 0.26 -1.50 0.71 0.00 -0.02 0.00 0.00 35.03 34.48 1itw n LYS 507 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1itw n ASP 508 N -1.43 0.71 -4.28 4.39 8.00 -0.31 -4.87 116.55 118.76 1itw n ASP 508 Ca 0.05 -1.28 -0.17 0.00 0.71 0.00 0.00 54.79 54.10 1itw n ASP 508 Cb 0.17 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.16 1itw n ASP 508 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1itw s TYR 509 N -1.99 1.47 -0.54 1.24 1.51 -0.84 -5.09 117.35 113.11 1itw s TYR 509 Ca 0.41 -0.61 -0.24 0.00 -1.01 0.00 0.00 57.07 55.63 1itw s TYR 509 Cb 0.21 -0.73 0.04 0.00 -0.11 0.00 0.00 41.96 41.36 1itw s TYR 509 CO 0.34 0.20 0.92 0.34 -1.11 0.00 0.00 175.55 176.23 1itw s ASP 510 N -2.88 6.34 -0.13 2.29 2.15 -1.26 -4.83 116.67 118.35 1itw s ASP 510 Ca 0.15 -0.35 0.16 0.00 0.43 0.00 0.00 52.55 52.93 1itw s ASP 510 Cb -0.02 -2.43 0.38 0.00 -0.30 0.00 0.00 42.92 40.56 1itw s ASP 510 CO 0.04 -1.19 1.28 0.35 -0.17 0.00 0.00 175.17 175.47 1itw n THR 511 N 6.17 1.92 -0.31 1.71 -2.24 -1.26 -4.86 114.28 115.41 1itw n THR 511 Ca 0.01 -1.85 -0.08 0.00 -2.27 0.00 0.00 64.05 59.87 1itw n THR 511 Cb 0.47 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 1itw n THR 511 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1itw h SER 512 N 1.08 -1.71 -0.29 3.42 4.64 -2.00 -0.06 113.55 118.62 1itw h SER 512 Ca 0.00 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1itw h SER 512 Cb 1.15 0.79 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 1itw h SER 512 CO 0.11 -0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.38 1itw n GLY 513 N -1.38 0.84 3.97 -0.77 0.00 -1.26 -4.91 105.19 101.68 1itw n GLY 513 Ca 0.04 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 1itw n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1itw s LEU 514 N -1.03 4.10 -0.45 0.99 1.43 -0.04 -5.06 118.68 118.62 1itw s LEU 514 Ca 0.21 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1itw s LEU 514 Cb 0.12 -2.94 0.12 0.00 0.03 0.00 0.00 46.19 43.52 1itw s LEU 514 CO 0.12 -0.27 0.18 -0.62 0.23 0.00 0.00 176.35 175.99 1itw s ASP 515 N -4.07 4.62 -0.08 2.29 -1.08 -1.26 -5.06 116.67 112.03 1itw s ASP 515 Ca 0.39 -2.60 0.04 0.00 -0.52 0.00 0.00 52.55 49.86 1itw s ASP 515 Cb -0.09 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.71 1itw s ASP 515 CO 0.32 -0.32 -0.22 -0.63 0.52 0.00 0.00 175.17 174.84 1itw s ILE 516 N 0.29 1.86 0.18 4.11 1.01 -1.26 -0.99 121.20 126.40 1itw s ILE 516 Ca 0.14 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1itw s ILE 516 Cb -0.23 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1itw s ILE 516 CO -0.04 0.52 0.21 0.00 0.00 0.00 0.00 174.94 175.62 1itw s ARG 517 N 0.29 1.18 -0.12 2.79 1.70 -0.83 -5.00 118.95 118.95 1itw s ARG 517 Ca -0.15 -1.41 0.03 0.00 -0.47 0.00 0.00 55.73 53.73 1itw s ARG 517 Cb -0.16 0.32 0.01 0.00 -0.57 0.00 0.00 34.95 34.55 1itw s ARG 517 CO 0.07 -0.41 -0.21 0.42 -1.08 0.00 0.00 175.30 174.09 1itw s ILE 518 N -4.06 1.93 0.03 4.99 1.01 -1.26 -0.73 121.20 123.12 1itw s ILE 518 Ca 0.27 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1itw s ILE 518 Cb 0.05 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1itw s ILE 518 CO 0.06 0.53 -0.04 -0.76 0.00 0.00 0.00 174.94 174.73 1itw s LEU 519 N 0.71 2.31 0.75 2.97 1.43 -0.19 -4.94 118.68 121.72 1itw s LEU 519 Ca -0.10 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 1itw s LEU 519 Cb -0.16 0.08 0.05 0.00 0.03 0.00 0.00 46.19 46.19 1itw s LEU 519 CO 0.01 -0.36 1.15 -0.94 0.23 0.00 0.00 176.35 176.44 1itw s SER 520 N -1.85 4.25 0.25 2.29 1.04 -1.16 -0.98 113.70 117.54 1itw s SER 520 Ca -0.09 2.13 -0.06 0.00 0.48 0.00 0.00 55.95 58.41 1itw s SER 520 Cb -0.06 -2.56 0.45 0.00 0.10 0.00 0.00 66.02 63.95 1itw s SER 520 CO -0.03 -2.21 1.65 -0.65 0.98 0.00 0.00 173.24 172.98 1itw h PRO 521 N -0.65 0.14 -0.23 4.02 0.11 -1.84 0.42 132.00 133.98 1itw h PRO 521 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1itw h PRO 521 Cb 1.27 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1itw h PRO 521 CO 0.50 0.10 0.10 0.28 -0.21 0.00 0.00 178.00 178.76 1itw h VAL 522 N 0.15 1.15 -0.54 3.15 2.07 -1.90 0.93 116.25 121.26 1itw h VAL 522 Ca 0.42 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1itw h VAL 522 Cb 0.74 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1itw h VAL 522 CO -0.62 0.15 -0.01 -0.33 0.02 0.00 0.00 177.57 176.79 1itw h GLU 523 N 0.22 0.93 -0.72 1.57 5.08 -1.67 -1.65 114.58 118.34 1itw h GLU 523 Ca 0.08 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1itw h GLU 523 Cb 0.15 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1itw h GLU 523 CO -0.01 0.93 0.27 0.00 -1.00 0.00 0.00 179.01 179.20 1itw h ALA 524 N 1.13 1.11 -0.12 3.43 0.00 0.06 -0.46 119.26 124.41 1itw h ALA 524 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1itw h ALA 524 Cb 0.52 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1itw h ALA 524 CO 0.03 0.63 -0.01 1.15 0.00 0.00 0.00 179.25 181.04 1itw h THR 525 N 1.05 1.27 -0.56 0.00 2.02 -0.47 -1.11 112.91 115.12 1itw h THR 525 Ca 0.24 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1itw h THR 525 Cb 0.23 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1itw h THR 525 CO -0.02 0.26 0.36 0.03 0.37 0.00 0.00 175.52 176.52 1itw h ARG 526 N -0.08 0.75 -0.32 6.66 3.08 -1.11 -0.14 114.38 123.21 1itw h ARG 526 Ca 0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1itw h ARG 526 Cb 0.40 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1itw h ARG 526 CO 0.01 0.52 0.21 0.35 -1.07 0.00 0.00 179.97 179.99 1itw h PHE 527 N 0.76 0.40 -0.39 3.04 3.57 -1.02 -1.90 116.94 121.40 1itw h PHE 527 Ca 0.20 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 1itw h PHE 527 Cb -0.05 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1itw h PHE 527 CO -0.03 0.25 -0.24 0.77 -2.23 0.00 0.00 178.31 176.83 1itw h SER 528 N 0.43 0.81 0.12 0.41 0.02 -0.90 -2.63 113.55 111.80 1itw h SER 528 Ca 0.12 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.64 1itw h SER 528 Cb -0.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1itw h SER 528 CO -0.03 1.01 -0.45 -0.07 -1.14 0.00 0.00 176.83 176.16 1itw h LEU 529 N 0.68 0.43 -0.35 5.07 3.38 -0.90 0.14 115.31 123.76 1itw h LEU 529 Ca 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1itw h LEU 529 Cb 0.76 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1itw h LEU 529 CO 0.06 0.83 0.10 0.00 0.09 0.00 0.00 178.44 179.52 1itw h ALA 530 N 1.19 0.47 -0.40 1.53 0.00 -1.24 -1.79 119.26 119.01 1itw h ALA 530 Ca 0.02 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1itw h ALA 530 Cb 0.92 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1itw h ALA 530 CO 0.08 0.12 -0.09 0.00 0.00 0.00 0.00 179.25 179.36 1itw h ARG 531 N 0.42 0.76 -0.97 0.00 3.08 -1.28 -3.04 114.38 113.35 1itw h ARG 531 Ca 0.11 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1itw h ARG 531 Cb 0.27 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1itw h ARG 531 CO -0.00 0.89 0.62 0.97 -1.07 0.00 0.00 179.97 181.38 1itw h ILE 532 N 0.58 1.26 0.00 2.04 2.10 -0.53 0.14 117.51 123.09 1itw h ILE 532 Ca 0.10 -0.51 -0.01 0.00 1.08 0.00 0.00 64.86 65.52 1itw h ILE 532 Cb 0.60 -0.15 -0.00 0.00 -1.09 0.00 0.00 36.82 36.18 1itw h ILE 532 CO 0.04 0.26 -0.07 0.03 -1.08 0.00 0.00 178.15 177.32 1itw h ARG 533 N 1.33 0.00 -0.61 2.19 3.08 -1.31 0.18 114.38 119.24 1itw h ARG 533 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1itw h ARG 533 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1itw h ARG 533 CO -0.07 0.07 0.00 -0.85 -1.07 0.00 0.00 179.97 178.05 1itw n GLU 534 N -3.19 2.88 -1.00 0.04 0.28 -0.72 -4.77 120.64 114.16 1itw n GLU 534 Ca 0.01 -2.15 -0.00 0.00 -0.16 0.00 0.00 57.16 54.85 1itw n GLU 534 Cb 0.36 -1.66 -0.00 0.00 1.43 0.00 0.00 31.44 31.56 1itw n GLU 534 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1itw n GLY 535 N 1.07 0.43 3.89 -1.84 0.00 -0.71 -4.93 105.19 103.10 1itw n GLY 535 Ca 0.20 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 1itw n GLY 535 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itw s LYS 536 N -1.17 3.22 0.12 1.61 1.02 0.39 -4.20 119.74 120.73 1itw s LYS 536 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.27 1itw s LYS 536 Cb 0.00 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 1itw s LYS 536 CO 0.00 0.49 0.24 -0.51 -0.92 0.00 0.00 175.35 174.65 1itw s ASP 537 N -3.33 6.25 -0.12 2.83 1.01 -1.26 -3.45 116.67 118.60 1itw s ASP 537 Ca 0.33 0.17 -0.06 0.00 0.71 0.00 0.00 52.55 53.70 1itw s ASP 537 Cb -0.10 -1.87 0.05 0.00 1.01 0.00 0.00 42.92 42.01 1itw s ASP 537 CO 0.27 0.09 0.28 -0.89 0.21 0.00 0.00 175.17 175.13 1itw s THR 538 N -1.66 -0.10 -0.07 -1.27 2.01 -0.73 -4.47 115.64 109.35 1itw s THR 538 Ca 0.34 0.15 -0.24 0.00 0.31 0.00 0.00 61.69 62.26 1itw s THR 538 Cb -0.12 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1itw s THR 538 CO 0.28 0.06 0.72 -0.63 -0.69 0.00 0.00 174.62 174.36 1itw s ILE 539 N 1.46 5.03 -0.21 1.82 1.01 -0.09 -3.65 121.20 126.57 1itw s ILE 539 Ca -0.08 1.49 -0.13 0.00 0.00 0.00 0.00 60.65 61.93 1itw s ILE 539 Cb -0.10 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1itw s ILE 539 CO -0.09 0.23 0.27 -0.94 0.00 0.00 0.00 174.94 174.40 1itw s SER 540 N 0.84 6.30 -0.28 3.58 1.04 -0.53 -0.57 113.70 124.08 1itw s SER 540 Ca 0.38 0.34 -0.01 0.00 0.48 0.00 0.00 55.95 57.14 1itw s SER 540 Cb -0.18 -2.16 0.05 0.00 0.10 0.00 0.00 66.02 63.82 1itw s SER 540 CO 0.18 0.03 -0.03 -0.69 0.98 0.00 0.00 173.24 173.71 1itw s VAL 541 N 0.98 2.82 0.28 5.02 1.01 0.57 -0.73 120.40 130.35 1itw s VAL 541 Ca 0.13 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 60.82 1itw s VAL 541 Cb -0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1itw s VAL 541 CO 0.05 -0.01 0.21 0.42 0.00 0.00 0.00 175.10 175.76 1itw s THR 542 N 1.25 0.05 1.12 3.92 -4.23 -0.49 -1.17 115.64 116.09 1itw s THR 542 Ca -0.04 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.28 1itw s THR 542 Cb -0.19 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.42 1itw s THR 542 CO -0.03 0.00 1.24 -0.83 -0.54 0.00 0.00 174.62 174.46 1itw s GLY 543 N -3.30 1.71 0.14 3.99 0.00 -1.26 -1.01 107.32 107.59 1itw s GLY 543 Ca 0.39 -1.21 -0.19 0.00 0.00 0.00 0.00 44.72 43.71 1itw s GLY 543 CO 0.21 -0.32 1.70 -0.57 0.00 0.00 0.00 173.10 174.11 1itw h ASN 544 N -2.24 -0.23 -0.32 1.64 -0.73 -1.60 -0.69 115.58 111.41 1itw h ASN 544 Ca -0.43 0.07 -0.07 0.00 1.87 0.00 0.00 56.30 57.75 1itw h ASN 544 Cb 1.25 0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.98 1itw h ASN 544 CO 0.30 -0.08 -0.06 0.58 -0.37 0.00 0.00 177.43 177.80 1itw h VAL 545 N 0.00 1.27 0.00 2.57 2.07 -1.91 -2.25 116.25 118.00 1itw h VAL 545 Ca 0.12 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 1itw h VAL 545 Cb 0.18 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1itw h VAL 545 CO -0.26 0.35 -0.25 -0.07 0.02 0.00 0.00 177.57 177.36 1itw h LEU 546 N 0.39 0.00 -0.01 2.57 3.38 -1.90 0.06 115.31 119.80 1itw h LEU 546 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1itw h LEU 546 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1itw h LEU 546 CO 0.03 0.25 -0.01 -0.09 0.09 0.00 0.00 178.44 178.71 1itw h ARG 547 N 0.00 -0.01 -0.03 1.13 2.43 -0.85 0.13 114.38 117.18 1itw h ARG 547 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1itw h ARG 547 Cb 0.45 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1itw h ARG 547 CO 0.03 -0.01 -0.08 0.22 -1.51 0.00 0.00 179.97 178.63 1itw h ASP 548 N -0.01 -0.23 0.03 -3.80 -0.00 -0.68 -2.29 116.42 109.45 1itw h ASP 548 Ca 0.01 0.04 -0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1itw h ASP 548 Cb 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.46 1itw h ASP 548 CO -0.01 -0.11 -0.02 1.88 -0.00 0.00 0.00 179.24 180.98 1itw h TYR 549 N -0.12 -0.04 0.00 0.28 0.99 -0.80 -3.24 116.97 114.03 1itw h TYR 549 Ca 0.04 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 1itw h TYR 549 Cb 0.18 0.01 -0.01 0.00 1.00 0.00 0.00 36.73 37.91 1itw h TYR 549 CO -0.16 0.22 -0.24 -0.07 -0.00 0.00 0.00 178.16 177.91 1itw h LEU 550 N -0.30 0.00 -0.31 3.88 3.38 -0.77 -1.13 115.31 120.06 1itw h LEU 550 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1itw h LEU 550 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1itw h LEU 550 CO 0.01 0.24 0.00 0.35 0.09 0.00 0.00 178.44 179.13 1itw n THR 551 N -3.64 0.00 -0.08 0.22 -2.24 -0.86 -2.39 114.28 105.29 1itw n THR 551 Ca -0.01 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 1itw n THR 551 Cb 0.37 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 1itw n THR 551 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1itw n ASP 552 N -0.62 1.63 0.16 3.42 2.03 -1.02 -4.51 116.55 117.64 1itw n ASP 552 Ca 0.22 0.12 -0.15 0.00 0.52 0.00 0.00 54.79 55.50 1itw n ASP 552 Cb 0.19 -0.41 -0.09 0.00 -0.72 0.00 0.00 41.12 40.10 1itw n ASP 552 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1itw h LEU 553 N -0.41 -1.35 -0.59 -2.67 5.85 -1.22 -2.08 115.31 112.85 1itw h LEU 553 Ca -0.39 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 1itw h LEU 553 Cb 1.41 0.48 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 1itw h LEU 553 CO -0.19 -0.53 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.08 1itw h PHE 554 N -0.76 1.16 -0.56 1.25 -1.00 -1.74 -2.51 116.94 112.78 1itw h PHE 554 Ca -0.03 -0.21 -0.02 0.00 2.81 0.00 0.00 57.97 60.52 1itw h PHE 554 Cb 0.71 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 1itw h PHE 554 CO -0.36 1.04 0.25 -1.35 -1.61 0.00 0.00 178.31 176.28 1itw h PRO 555 N 0.95 0.80 -0.34 1.51 0.11 -1.78 0.68 132.00 133.94 1itw h PRO 555 Ca 0.16 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1itw h PRO 555 Cb 0.60 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1itw h PRO 555 CO 0.04 0.64 0.12 0.82 -0.21 0.00 0.00 178.00 179.40 1itw h ILE 556 N 0.80 1.20 -0.38 4.15 1.08 -1.19 0.49 117.51 123.66 1itw h ILE 556 Ca 0.20 -0.63 -0.11 0.00 -0.39 0.00 0.00 64.86 63.93 1itw h ILE 556 Cb 0.11 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1itw h ILE 556 CO -0.02 0.22 -0.19 0.24 -0.69 0.00 0.00 178.15 177.70 1itw h MET 557 N 0.39 0.79 0.08 2.37 2.86 -1.06 0.88 114.93 121.25 1itw h MET 557 Ca 0.11 -0.35 -0.25 0.00 -2.06 0.00 0.00 59.70 57.15 1itw h MET 557 Cb 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1itw h MET 557 CO -0.01 0.98 -1.15 0.93 1.06 0.00 0.00 176.91 178.72 1itw h GLU 558 N 0.59 0.19 0.00 1.72 5.08 -0.82 -3.41 114.58 117.93 1itw h GLU 558 Ca 0.08 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1itw h GLU 558 Cb 0.74 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1itw h GLU 558 CO 0.06 1.14 -0.07 1.28 -1.00 0.00 0.00 179.01 180.42 1itw n LEU 559 N -3.49 0.00 0.00 1.33 4.77 0.17 -4.80 117.00 114.98 1itw n LEU 559 Ca -0.06 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1itw n LEU 559 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1itw n LEU 559 CO 0.51 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1itw n GLY 560 N 0.94 0.60 3.55 -0.72 0.00 0.30 -4.84 105.19 105.02 1itw n GLY 560 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1itw n GLY 560 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1itw s THR 561 N -2.52 0.00 -0.23 2.61 -1.32 -1.23 -4.92 115.64 108.04 1itw s THR 561 Ca 0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 1itw s THR 561 Cb 0.00 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.40 1itw s THR 561 CO 0.00 0.00 1.31 -1.54 -2.21 0.00 0.00 174.62 172.18 1itw n SER 562 N 0.94 3.27 -1.03 8.08 3.41 -1.26 -3.98 113.62 123.05 1itw n SER 562 Ca -0.16 -2.88 0.09 0.00 -0.26 0.00 0.00 58.87 55.67 1itw n SER 562 Cb 0.57 -0.45 0.23 0.00 -0.26 0.00 0.00 64.21 64.30 1itw n SER 562 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itw n ALA 563 N -0.66 2.33 -3.68 7.33 0.00 -1.26 -4.53 120.51 120.04 1itw n ALA 563 Ca 0.18 -1.13 -0.27 0.00 0.00 0.00 0.00 53.44 52.21 1itw n ALA 563 Cb 0.74 -0.72 -0.11 0.00 0.00 0.00 0.00 19.45 19.36 1itw n ALA 563 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1itw n LYS 564 N 1.20 1.25 -3.86 0.00 5.02 -1.26 -4.41 118.16 116.09 1itw n LYS 564 Ca 0.18 -4.00 -0.02 0.00 -2.02 0.00 0.00 58.31 52.46 1itw n LYS 564 Cb 0.54 -2.04 0.01 0.00 -0.02 0.00 0.00 35.03 33.52 1itw n LYS 564 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1itw s MET 565 N -0.96 1.02 0.03 1.97 0.23 -1.26 -4.53 119.30 115.80 1itw s MET 565 Ca 0.29 -0.64 -0.19 0.00 -1.03 0.00 0.00 55.69 54.11 1itw s MET 565 Cb 0.00 0.30 -0.06 0.00 -1.53 0.00 0.00 34.83 33.54 1itw s MET 565 CO -0.17 -0.48 0.56 -0.51 -2.03 0.00 0.00 175.02 172.39 1itw s LEU 566 N -3.38 4.48 -0.44 0.18 1.43 0.33 -4.81 118.68 116.46 1itw s LEU 566 Ca 0.21 1.18 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 1itw s LEU 566 Cb -0.01 -2.86 0.18 0.00 0.03 0.00 0.00 46.19 43.52 1itw s LEU 566 CO 0.03 0.21 0.37 -0.24 0.23 0.00 0.00 176.35 176.96 1itw n SER 567 N 2.13 -0.04 -4.73 2.29 2.88 -1.25 -1.57 113.62 113.33 1itw n SER 567 Ca -0.09 -2.49 -0.39 0.00 -1.33 0.00 0.00 58.87 54.56 1itw n SER 567 Cb 0.51 -0.58 -0.05 0.00 -0.75 0.00 0.00 64.21 63.34 1itw n SER 567 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1itw s ILE 568 N -0.22 5.02 -0.35 2.46 1.01 -0.38 -1.46 121.20 127.28 1itw s ILE 568 Ca 0.32 1.28 0.03 0.00 0.00 0.00 0.00 60.65 62.29 1itw s ILE 568 Cb 0.04 -3.96 0.10 0.00 0.01 0.00 0.00 42.46 38.66 1itw s ILE 568 CO -0.19 0.33 0.07 -0.69 0.00 0.00 0.00 174.94 174.46 1itw s VAL 569 N 0.39 2.14 -0.75 2.92 1.01 0.68 -0.97 120.40 125.83 1itw s VAL 569 Ca 0.33 -2.32 -0.26 0.00 0.00 0.00 0.00 61.98 59.73 1itw s VAL 569 Cb -0.17 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1itw s VAL 569 CO 0.16 -0.62 1.59 -2.84 0.00 0.00 0.00 175.10 173.39 1itw s PRO 570 N 0.89 2.96 0.30 2.72 0.02 -1.24 -1.58 135.00 139.07 1itw s PRO 570 Ca 0.11 -0.06 -0.29 0.00 0.02 0.00 0.00 61.00 60.78 1itw s PRO 570 Cb -0.19 -4.52 -0.12 0.00 0.02 0.00 0.00 34.50 29.68 1itw s PRO 570 CO -0.09 -2.52 1.40 1.28 -0.33 0.00 0.00 177.00 176.74 1itw n LEU 571 N 11.10 3.67 0.31 -5.54 4.77 -0.81 -3.98 117.00 126.51 1itw n LEU 571 Ca 0.18 1.18 0.17 0.00 -0.03 0.00 0.00 56.01 57.51 1itw n LEU 571 Cb 0.50 -1.50 0.98 0.00 -2.33 0.00 0.00 43.42 41.08 1itw n LEU 571 CO 0.69 -0.31 1.13 0.24 -1.33 0.00 0.00 177.39 177.81 1itw h MET 572 N 3.55 0.00 0.00 3.23 2.86 -1.56 -0.79 114.93 122.21 1itw h MET 572 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1itw h MET 572 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1itw h MET 572 CO 0.70 0.01 0.00 0.43 1.06 0.00 0.00 176.91 179.11 1itw n SER 573 N -3.63 0.00 0.00 1.22 7.64 -1.26 -4.90 113.62 112.69 1itw n SER 573 Ca -0.03 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1itw n SER 573 Cb 0.09 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1itw n SER 573 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1itw n GLY 574 N 1.39 2.09 1.52 0.23 0.00 -0.30 -3.75 105.19 106.38 1itw n GLY 574 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1itw n GLY 574 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itw n GLY 575 N -0.22 -1.60 2.99 -0.02 0.00 -0.98 -4.80 105.19 100.56 1itw n GLY 575 Ca 0.00 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 1itw n GLY 575 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1itw s GLY 576 N -3.96 0.47 -0.11 -0.02 0.00 0.49 -1.93 107.32 102.26 1itw s GLY 576 Ca 0.30 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.75 1itw s GLY 576 CO 0.21 -0.07 -0.18 -2.27 0.00 0.00 0.00 173.10 170.79 1itw s LEU 577 N 0.18 1.88 -0.26 0.66 2.96 -0.61 -1.00 118.68 122.48 1itw s LEU 577 Ca -0.03 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1itw s LEU 577 Cb -0.08 -1.21 0.07 0.00 0.50 0.00 0.00 46.19 45.47 1itw s LEU 577 CO 0.00 0.06 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.68 1itw s PHE 578 N 0.78 2.92 -0.20 5.38 0.40 0.13 -0.23 117.98 127.17 1itw s PHE 578 Ca -0.10 -2.17 -0.22 0.00 -0.60 0.00 0.00 56.93 53.84 1itw s PHE 578 Cb -0.16 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 1itw s PHE 578 CO 0.01 -0.85 0.71 -1.21 0.70 0.00 0.00 175.22 174.58 1itw s GLU 579 N 1.21 4.23 0.41 0.44 2.02 -0.53 -0.56 118.70 125.91 1itw s GLU 579 Ca -0.04 0.77 0.22 0.00 0.02 0.00 0.00 54.97 55.93 1itw s GLU 579 Cb -0.19 -3.59 0.70 0.00 0.10 0.00 0.00 34.13 31.15 1itw s GLU 579 CO -0.07 -0.30 1.73 1.79 0.02 0.00 0.00 175.26 178.43 1itw h THR 580 N 5.22 0.57 -2.54 3.63 1.35 -1.02 -3.31 112.91 116.81 1itw h THR 580 Ca -0.30 -1.34 -0.06 0.00 -0.55 0.00 0.00 66.41 64.16 1itw h THR 580 Cb 1.13 1.92 -0.17 0.00 -1.73 0.00 0.00 68.15 69.30 1itw h THR 580 CO 0.80 0.26 0.07 -0.83 -0.25 0.00 0.00 175.52 175.57 1itw s GLY 581 N -4.32 -0.46 0.00 5.82 0.00 -1.26 -4.33 107.32 102.77 1itw s GLY 581 Ca 0.02 0.82 0.23 0.00 0.00 0.00 0.00 44.72 45.78 1itw s GLY 581 CO 0.66 0.50 1.09 0.00 0.00 0.00 0.00 173.10 175.36 1itw n ALA 582 N 0.62 4.09 -1.75 3.20 0.00 -1.26 -4.53 120.51 120.88 1itw n ALA 582 Ca -0.19 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1itw n ALA 582 Cb 0.59 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1itw n ALA 582 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itw n GLY 583 N 1.46 1.28 2.46 0.00 0.00 -1.26 -5.12 105.19 104.01 1itw n GLY 583 Ca 0.06 -1.93 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 1itw n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itw n GLY 584 N 5.00 -0.34 1.69 -0.02 0.00 -1.26 -4.57 105.19 105.68 1itw n GLY 584 Ca 0.00 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.22 1itw n GLY 584 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1itw n SER 585 N -3.24 4.93 -3.52 1.61 3.41 -1.26 -4.80 113.62 110.74 1itw n SER 585 Ca 0.11 -2.81 -0.26 0.00 -0.26 0.00 0.00 58.87 55.65 1itw n SER 585 Cb 0.37 -0.66 0.02 0.00 -0.26 0.00 0.00 64.21 63.67 1itw n SER 585 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itw n ALA 586 N 0.47 -2.60 -0.18 7.33 0.00 -1.26 -1.75 120.51 122.52 1itw n ALA 586 Ca 0.24 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.90 1itw n ALA 586 Cb 1.07 -1.68 0.39 0.00 0.00 0.00 0.00 19.45 19.23 1itw n ALA 586 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1itw h PRO 587 N 0.92 0.65 -0.20 0.00 0.11 -1.98 -1.59 132.00 129.90 1itw h PRO 587 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1itw h PRO 587 Cb 1.32 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1itw h PRO 587 CO 0.29 0.43 -0.07 0.87 -0.21 0.00 0.00 178.00 179.31 1itw h LYS 588 N 0.67 0.31 -0.35 1.05 1.57 -2.00 -1.72 116.57 116.10 1itw h LYS 588 Ca 0.33 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 1itw h LYS 588 Cb 0.41 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1itw h LYS 588 CO -0.12 0.39 -0.19 0.45 -0.57 0.00 0.00 179.45 179.42 1itw h HIS 589 N 0.30 0.72 -0.41 -1.35 3.86 -1.63 -2.26 115.15 114.37 1itw h HIS 589 Ca 0.06 -0.15 -0.15 0.00 -1.16 0.00 0.00 60.37 58.98 1itw h HIS 589 Cb 0.31 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1itw h HIS 589 CO 0.01 0.79 -0.33 0.28 0.86 0.00 0.00 177.93 179.54 1itw h VAL 590 N 0.58 1.27 -0.59 2.45 2.07 -1.36 -2.40 116.25 118.27 1itw h VAL 590 Ca 0.09 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.13 1itw h VAL 590 Cb 0.64 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1itw h VAL 590 CO 0.05 0.50 0.37 -0.61 0.02 0.00 0.00 177.57 177.90 1itw h GLN 591 N 0.78 0.72 -0.53 1.57 4.15 -1.03 -0.30 115.11 120.48 1itw h GLN 591 Ca 0.08 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1itw h GLN 591 Cb 0.91 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1itw h GLN 591 CO 0.08 0.48 -0.02 0.37 -1.93 0.00 0.00 178.83 177.81 1itw h GLN 592 N 0.75 0.91 -0.62 1.69 4.15 -1.34 -0.86 115.11 119.78 1itw h GLN 592 Ca 0.23 -0.27 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1itw h GLN 592 Cb -0.02 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1itw h GLN 592 CO -0.08 0.91 0.21 0.35 -1.93 0.00 0.00 178.83 178.30 1itw h PHE 593 N 0.83 0.98 -0.16 3.99 3.57 -0.87 0.21 116.94 125.48 1itw h PHE 593 Ca 0.15 -0.09 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 1itw h PHE 593 Cb 0.52 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1itw h PHE 593 CO 0.03 0.79 -0.57 -0.07 -2.23 0.00 0.00 178.31 176.26 1itw h LEU 594 N 0.88 0.57 -0.04 0.59 3.38 -0.90 0.13 115.31 119.92 1itw h LEU 594 Ca 0.20 -0.31 -0.26 0.00 0.09 0.00 0.00 57.88 57.60 1itw h LEU 594 Cb 0.26 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.86 1itw h LEU 594 CO -0.01 1.02 -1.03 -0.33 0.09 0.00 0.00 178.44 178.18 1itw h GLU 595 N 0.38 0.63 0.00 1.13 5.08 -0.88 0.35 114.58 121.28 1itw h GLU 595 Ca 0.00 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 1itw h GLU 595 Cb 1.11 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1itw h GLU 595 CO 0.10 1.28 -0.44 -0.85 -1.00 0.00 0.00 179.01 178.10 1itw n GLU 596 N -3.82 0.00 -3.25 2.33 0.28 0.70 -3.40 120.64 113.47 1itw n GLU 596 Ca -0.10 -0.93 -0.23 0.00 -0.16 0.00 0.00 57.16 55.74 1itw n GLU 596 Cb 0.88 -0.49 0.04 0.00 1.43 0.00 0.00 31.44 33.30 1itw n GLU 596 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1itw n GLY 597 N 0.00 -0.52 2.95 -1.84 0.00 0.47 -0.70 105.19 105.55 1itw n GLY 597 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1itw n GLY 597 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1itw s TYR 598 N -3.19 1.51 -0.31 1.61 5.04 -1.25 -4.07 117.35 116.68 1itw s TYR 598 Ca 0.40 -0.69 -0.05 0.00 -2.44 0.00 0.00 57.07 54.29 1itw s TYR 598 Cb -0.19 -1.19 0.03 0.00 0.35 0.00 0.00 41.96 40.96 1itw s TYR 598 CO 0.50 -0.44 0.06 -1.17 -1.34 0.00 0.00 175.55 173.17 1itw s LEU 599 N 1.32 3.97 0.00 6.97 2.96 -1.26 -2.59 118.68 130.04 1itw s LEU 599 Ca -0.02 -0.98 0.25 0.00 -0.22 0.00 0.00 54.13 53.16 1itw s LEU 599 Cb -0.14 -1.83 0.95 0.00 0.50 0.00 0.00 46.19 45.68 1itw s LEU 599 CO -0.04 -0.25 1.68 -2.11 -1.32 0.00 0.00 176.35 174.31 1itw n ARG 600 N 4.79 1.68 -1.64 1.98 1.85 -1.26 -0.61 116.66 123.45 1itw n ARG 600 Ca -0.14 -1.00 -0.48 0.00 -1.00 0.00 0.00 57.85 55.24 1itw n ARG 600 Cb 0.46 -1.45 -0.04 0.00 -1.05 0.00 0.00 32.46 30.38 1itw n ARG 600 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49 1itw n TRP 601 N 0.21 1.94 -3.28 2.89 -0.00 -1.26 -4.80 117.44 113.14 1itw n TRP 601 Ca 0.18 0.45 -0.41 0.00 -0.00 0.00 0.00 57.50 57.72 1itw n TRP 601 Cb 0.34 -2.44 -0.08 0.00 -0.00 0.00 0.00 31.31 29.13 1itw n TRP 601 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1itw s ASP 602 N 0.54 6.29 0.00 5.87 -1.08 -1.26 -4.48 116.67 122.55 1itw s ASP 602 Ca 0.77 -0.07 0.12 0.00 -0.52 0.00 0.00 52.55 52.85 1itw s ASP 602 Cb -0.76 -2.25 0.44 0.00 -1.46 0.00 0.00 42.92 38.89 1itw s ASP 602 CO 0.45 -0.45 1.32 -1.20 0.52 0.00 0.00 175.17 175.81 1itw n SER 603 N 5.66 1.19 -0.27 -0.34 7.64 -1.26 -4.40 113.62 121.84 1itw n SER 603 Ca -0.06 -1.86 0.08 0.00 1.01 0.00 0.00 58.87 58.04 1itw n SER 603 Cb 0.49 -0.13 0.22 0.00 -1.01 0.00 0.00 64.21 63.79 1itw n SER 603 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1itw h LEU 604 N 1.40 0.06 -1.67 -3.43 5.85 -1.92 0.24 115.31 115.84 1itw h LEU 604 Ca 0.00 0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1itw h LEU 604 Cb 0.31 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1itw h LEU 604 CO 0.00 -0.05 0.32 1.23 -0.34 0.00 0.00 178.44 179.60 1itw h GLY 605 N 0.28 0.51 1.11 3.75 0.00 -1.77 -0.21 103.07 106.75 1itw h GLY 605 Ca 0.47 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.47 1itw h GLY 605 CO -0.55 0.13 -0.44 0.83 0.00 0.00 0.00 176.54 176.52 1itw h GLU 606 N 0.41 0.88 -0.38 4.80 5.08 -0.76 -1.40 114.58 123.21 1itw h GLU 606 Ca 0.21 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1itw h GLU 606 Cb 0.29 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1itw h GLU 606 CO -0.05 1.15 0.17 0.74 -1.00 0.00 0.00 179.01 180.02 1itw h PHE 607 N 0.68 0.56 -0.33 4.33 0.04 -0.41 -0.85 116.94 120.95 1itw h PHE 607 Ca 0.04 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1itw h PHE 607 Cb 1.04 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.00 1itw h PHE 607 CO 0.07 0.48 0.19 -0.07 -0.60 0.00 0.00 178.31 178.38 1itw h LEU 608 N 0.47 0.41 -0.83 1.54 3.38 -1.06 -2.42 115.31 116.80 1itw h LEU 608 Ca 0.13 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1itw h LEU 608 Cb 0.14 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1itw h LEU 608 CO -0.01 0.36 0.22 0.00 0.09 0.00 0.00 178.44 179.09 1itw h ALA 609 N 1.06 1.05 -0.77 1.53 0.00 -1.10 -2.58 119.26 118.46 1itw h ALA 609 Ca 0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1itw h ALA 609 Cb 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1itw h ALA 609 CO -0.02 0.64 0.30 1.25 0.00 0.00 0.00 179.25 181.42 1itw h LEU 610 N 1.05 1.07 -0.82 0.00 5.85 -0.97 0.57 115.31 122.06 1itw h LEU 610 Ca 0.23 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1itw h LEU 610 Cb 0.29 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1itw h LEU 610 CO -0.01 0.96 0.07 0.00 -0.34 0.00 0.00 178.44 179.12 1itw h ALA 611 N 1.15 1.02 -0.45 1.25 0.00 -1.23 0.99 119.26 121.99 1itw h ALA 611 Ca 0.26 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1itw h ALA 611 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1itw h ALA 611 CO -0.02 0.62 -0.25 0.00 0.00 0.00 0.00 179.25 179.60 1itw h ALA 612 N 1.17 0.70 -0.45 0.00 0.00 -1.06 -1.55 119.26 118.08 1itw h ALA 612 Ca 0.18 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1itw h ALA 612 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1itw h ALA 612 CO 0.01 0.67 0.04 1.03 0.00 0.00 0.00 179.25 181.00 1itw h SER 613 N 0.81 0.74 -0.59 0.00 0.87 -0.54 -0.86 113.55 113.98 1itw h SER 613 Ca 0.10 -0.28 -0.06 0.00 -1.23 0.00 0.00 61.79 60.31 1itw h SER 613 Cb 0.82 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1itw h SER 613 CO 0.07 0.84 0.12 -0.07 -0.53 0.00 0.00 176.83 177.27 1itw h LEU 614 N 0.62 0.92 -0.60 2.23 3.38 -0.69 -0.63 115.31 120.54 1itw h LEU 614 Ca 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1itw h LEU 614 Cb 0.44 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1itw h LEU 614 CO 0.02 0.93 0.25 -0.08 0.09 0.00 0.00 178.44 179.64 1itw h GLU 615 N 0.87 0.89 -0.42 1.13 4.81 -1.15 0.21 114.58 120.92 1itw h GLU 615 Ca 0.18 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1itw h GLU 615 Cb 0.38 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1itw h GLU 615 CO 0.01 0.75 0.27 1.25 -0.73 0.00 0.00 179.01 180.55 1itw h HIS 616 N 0.83 0.53 -0.49 0.92 2.76 -0.83 -1.08 115.15 117.78 1itw h HIS 616 Ca 0.20 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.32 1itw h HIS 616 Cb 0.18 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 1itw h HIS 616 CO 0.01 0.34 0.07 1.25 -1.30 0.00 0.00 177.93 178.30 1itw h LEU 617 N 0.56 0.79 -0.74 0.26 6.46 -0.82 -0.73 115.31 121.09 1itw h LEU 617 Ca 0.15 -0.27 0.04 0.00 -0.12 0.00 0.00 57.88 57.69 1itw h LEU 617 Cb -0.05 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 39.62 1itw h LEU 617 CO -0.03 0.86 0.45 1.23 -0.62 0.00 0.00 178.44 180.33 1itw h GLY 618 N 0.69 1.08 1.37 3.75 0.00 -0.18 0.72 103.07 110.50 1itw h GLY 618 Ca 0.15 -0.33 -0.24 0.00 0.00 0.00 0.00 47.33 46.90 1itw h GLY 618 CO 0.01 0.25 -0.97 3.43 0.00 0.00 0.00 176.54 179.27 1itw h ASN 619 N 0.86 0.74 -0.31 0.19 2.35 -1.06 -0.04 115.58 118.32 1itw h ASN 619 Ca 0.31 -0.58 -0.12 0.00 -0.55 0.00 0.00 56.30 55.36 1itw h ASN 619 Cb 0.09 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 1itw h ASN 619 CO -0.14 1.38 -0.29 0.00 -1.65 0.00 0.00 177.43 176.72 1itw h ALA 620 N 0.58 0.45 -0.47 -0.83 0.00 -0.93 -3.25 119.26 114.81 1itw h ALA 620 Ca -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1itw h ALA 620 Cb 1.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1itw h ALA 620 CO 0.18 0.47 0.00 0.66 0.00 0.00 0.00 179.25 180.56 1itw n TYR 621 N -4.23 0.62 -3.78 0.00 4.02 0.23 -4.96 117.16 109.05 1itw n TYR 621 Ca -0.03 -0.31 -0.24 0.00 -0.01 0.00 0.00 57.90 57.31 1itw n TYR 621 Cb 0.48 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.81 1itw n TYR 621 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1itw n LYS 622 N 1.48 -3.93 -3.61 -0.72 4.76 -0.27 -4.93 118.16 110.93 1itw n LYS 622 Ca 0.21 0.53 -0.40 0.00 -2.87 0.00 0.00 58.31 55.78 1itw n LYS 622 Cb 0.60 -4.86 -0.09 0.00 -1.84 0.00 0.00 35.03 28.84 1itw n LYS 622 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1itw s ASN 623 N -4.27 5.58 0.28 4.39 3.84 -0.19 -4.97 114.94 119.61 1itw s ASN 623 Ca 0.05 -1.98 -0.00 0.00 0.21 0.00 0.00 52.86 51.14 1itw s ASN 623 Cb -0.02 -1.96 0.48 0.00 -0.55 0.00 0.00 41.25 39.21 1itw s ASN 623 CO 0.84 -0.64 1.87 -0.65 -2.79 0.00 0.00 177.10 175.72 1itw h PRO 624 N 8.30 1.06 -0.52 0.43 0.11 -1.92 -2.36 132.00 137.10 1itw h PRO 624 Ca -0.18 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 1itw h PRO 624 Cb 1.06 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1itw h PRO 624 CO 0.81 0.70 0.08 0.87 -0.21 0.00 0.00 178.00 180.26 1itw h LYS 625 N 1.09 0.82 -0.69 1.05 1.57 -1.93 -2.17 116.57 116.31 1itw h LYS 625 Ca 0.46 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1itw h LYS 625 Cb 0.31 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1itw h LYS 625 CO -0.21 0.77 0.23 0.00 -0.57 0.00 0.00 179.45 179.67 1itw h ALA 626 N 1.31 1.11 -0.37 3.86 0.00 -1.72 0.15 119.26 123.59 1itw h ALA 626 Ca 0.16 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1itw h ALA 626 Cb 0.35 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1itw h ALA 626 CO 0.01 0.62 -0.17 -0.07 0.00 0.00 0.00 179.25 179.63 1itw h LEU 627 N 1.01 0.69 -0.38 0.00 3.38 -1.32 0.12 115.31 118.82 1itw h LEU 627 Ca 0.23 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1itw h LEU 627 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1itw h LEU 627 CO -0.01 0.87 -0.27 0.58 0.09 0.00 0.00 178.44 179.70 1itw h VAL 628 N 0.62 1.28 -0.94 1.22 2.07 -0.86 -0.98 116.25 118.67 1itw h VAL 628 Ca 0.10 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.21 1itw h VAL 628 Cb 0.64 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1itw h VAL 628 CO 0.05 0.48 0.62 -0.07 0.02 0.00 0.00 177.57 178.66 1itw h LEU 629 N 0.65 1.06 -0.20 2.57 3.38 -0.32 -0.99 115.31 121.45 1itw h LEU 629 Ca 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1itw h LEU 629 Cb 0.85 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1itw h LEU 629 CO 0.07 0.75 -0.03 0.00 0.09 0.00 0.00 178.44 179.32 1itw h ALA 630 N 1.36 0.28 -0.51 1.53 0.00 -0.70 -1.55 119.26 119.67 1itw h ALA 630 Ca 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1itw h ALA 630 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1itw h ALA 630 CO -0.10 0.04 0.27 0.77 0.00 0.00 0.00 179.25 180.23 1itw h SER 631 N 0.12 0.65 0.39 0.00 0.02 -0.91 -0.99 113.55 112.83 1itw h SER 631 Ca 0.05 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1itw h SER 631 Cb 0.46 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1itw h SER 631 CO 0.02 0.57 -0.44 0.71 -1.14 0.00 0.00 176.83 176.55 1itw h THR 632 N 0.68 1.32 -0.31 -2.27 1.35 -1.19 -2.17 112.91 110.31 1itw h THR 632 Ca 0.18 -1.53 -0.14 0.00 -0.55 0.00 0.00 66.41 64.37 1itw h THR 632 Cb 0.07 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 1itw h THR 632 CO -0.03 0.44 -0.38 0.25 -0.25 0.00 0.00 175.52 175.55 1itw h LEU 633 N 0.06 0.79 -0.63 3.87 5.85 -0.88 -0.53 115.31 123.84 1itw h LEU 633 Ca 0.00 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.40 1itw h LEU 633 Cb 0.80 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1itw h LEU 633 CO 0.06 1.08 0.39 0.44 -0.34 0.00 0.00 178.44 180.07 1itw h ASP 634 N 0.61 0.63 -0.48 1.25 3.32 -0.75 0.13 116.42 121.13 1itw h ASP 634 Ca 0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1itw h ASP 634 Cb 0.93 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1itw h ASP 634 CO 0.08 0.44 0.10 -0.61 -1.72 0.00 0.00 179.24 177.54 1itw h GLN 635 N 0.76 0.78 -0.78 3.56 4.15 -1.04 -1.43 115.11 121.11 1itw h GLN 635 Ca 0.25 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1itw h GLN 635 Cb 0.02 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 1itw h GLN 635 CO -0.10 0.77 0.36 0.00 -1.93 0.00 0.00 178.83 177.92 1itw h ALA 636 N 0.98 1.01 -0.45 3.38 0.00 -0.57 -1.71 119.26 121.90 1itw h ALA 636 Ca 0.15 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1itw h ALA 636 Cb 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1itw h ALA 636 CO 0.00 0.59 -0.10 1.15 0.00 0.00 0.00 179.25 180.90 1itw h THR 637 N 1.11 1.26 -0.37 0.00 2.02 -0.61 -1.09 112.91 115.23 1itw h THR 637 Ca 0.27 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 1itw h THR 637 Cb 0.15 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1itw h THR 637 CO -0.03 0.40 0.02 1.23 0.37 0.00 0.00 175.52 177.51 1itw h GLY 638 N 0.97 0.61 1.69 2.16 0.00 -0.75 -2.30 103.07 105.46 1itw h GLY 638 Ca 0.12 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 1itw h GLY 638 CO 0.04 0.34 -0.73 0.50 0.00 0.00 0.00 176.54 176.69 1itw h LYS 639 N 0.55 0.30 -0.88 4.80 1.57 -0.82 0.92 116.57 123.00 1itw h LYS 639 Ca 0.12 -0.25 0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1itw h LYS 639 Cb 0.33 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 1itw h LYS 639 CO 0.01 0.90 0.54 0.82 -0.57 0.00 0.00 179.45 181.15 1itw h ILE 640 N 0.20 0.97 0.11 1.86 1.08 -0.67 0.32 117.51 121.39 1itw h ILE 640 Ca -0.03 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 1itw h ILE 640 Cb 1.29 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1itw h ILE 640 CO 0.12 0.17 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.62 1itw h LEU 641 N 0.93 -0.13 -1.45 1.44 3.38 -1.17 0.74 115.31 119.06 1itw h LEU 641 Ca 0.41 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1itw h LEU 641 Cb 0.30 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1itw h LEU 641 CO -0.22 0.47 -0.13 0.44 0.09 0.00 0.00 178.44 179.10 1itw h ASP 642 N -0.83 0.19 -0.70 -0.43 3.32 -0.63 -2.59 116.42 114.76 1itw h ASP 642 Ca -0.02 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1itw h ASP 642 Cb 0.56 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1itw h ASP 642 CO 0.03 0.35 0.00 0.59 -1.72 0.00 0.00 179.24 178.48 1itw n ASN 643 N -4.29 3.95 -3.77 6.45 3.02 0.11 -4.98 115.26 115.75 1itw n ASN 643 Ca -0.01 -2.08 -0.30 0.00 -0.03 0.00 0.00 54.58 52.16 1itw n ASN 643 Cb 0.26 -0.49 0.03 0.00 -0.61 0.00 0.00 39.78 38.96 1itw n ASN 643 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1itw n ASN 644 N 1.49 -3.73 -1.56 6.41 5.15 -0.98 -4.91 115.26 117.13 1itw n ASN 644 Ca 0.24 -1.02 -0.05 0.00 -0.60 0.00 0.00 54.58 53.15 1itw n ASN 644 Cb 0.65 -3.25 0.25 0.00 -0.53 0.00 0.00 39.78 36.90 1itw n ASN 644 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1itw n LYS 645 N -4.29 2.81 -2.37 1.20 4.76 0.23 -4.98 118.16 115.51 1itw n LYS 645 Ca -0.16 -3.06 -0.27 0.00 -2.87 0.00 0.00 58.31 51.95 1itw n LYS 645 Cb 0.62 -2.02 0.03 0.00 -1.84 0.00 0.00 35.03 31.82 1itw n LYS 645 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1itw s SER 646 N -1.70 5.61 0.71 4.39 0.01 -1.26 -4.25 113.70 117.22 1itw s SER 646 Ca 0.50 0.75 -0.16 0.00 1.31 0.00 0.00 55.95 58.35 1itw s SER 646 Cb 0.42 -1.74 0.02 0.00 0.21 0.00 0.00 66.02 64.93 1itw s SER 646 CO 0.08 -1.06 1.23 -2.65 0.41 0.00 0.00 173.24 171.25 1itw n PRO 647 N -2.60 0.72 0.00 12.44 -0.02 -1.26 -4.92 135.00 139.36 1itw n PRO 647 Ca 0.05 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1itw n PRO 647 Cb 0.57 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1itw n PRO 647 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1itw n ALA 648 N -2.46 0.00 0.00 3.55 0.00 -1.08 -5.03 120.51 115.49 1itw n ALA 648 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1itw n ALA 648 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1itw n ALA 648 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1itw n ARG 649 N 0.00 2.20 0.00 0.00 3.00 -1.26 -4.80 116.66 115.80 1itw n ARG 649 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1itw n ARG 649 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 32.46 31.88 1itw n ARG 649 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1itw n LYS 650 N -0.55 0.00 -3.61 -0.14 4.01 -1.26 -4.94 118.16 111.67 1itw n LYS 650 Ca 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.66 1itw n LYS 650 Cb 0.05 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.50 1itw n LYS 650 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1itw s VAL 651 N 0.50 0.00 0.00 -0.18 1.01 -1.26 -4.83 120.40 115.65 1itw s VAL 651 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1itw s VAL 651 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1itw s VAL 651 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1itw n GLY 652 N 2.21 3.21 3.90 4.51 0.00 -1.26 -5.05 105.19 112.71 1itw n GLY 652 Ca -0.14 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1itw n GLY 652 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1itw s GLU 653 N 0.00 2.19 0.44 1.61 2.02 -1.26 -4.92 118.70 118.78 1itw s GLU 653 Ca 0.00 0.17 -0.25 0.00 0.02 0.00 0.00 54.97 54.91 1itw s GLU 653 Cb 0.00 -1.98 -0.08 0.00 0.10 0.00 0.00 34.13 32.17 1itw s GLU 653 CO 0.00 -1.44 1.40 0.96 0.02 0.00 0.00 175.26 176.20 1itw s ILE 654 N -3.51 2.21 0.00 -1.63 -4.36 -1.26 -4.90 121.20 107.75 1itw s ILE 654 Ca 0.61 0.19 0.00 0.00 -0.26 0.00 0.00 60.65 61.18 1itw s ILE 654 Cb -0.11 -3.11 0.00 0.00 1.25 0.00 0.00 42.46 40.49 1itw s ILE 654 CO 0.49 0.03 0.00 -0.90 0.24 0.00 0.00 174.94 174.80 1itw n ASP 655 N -0.12 1.64 -0.25 4.36 5.75 -1.26 -2.64 116.55 124.02 1itw n ASP 655 Ca 0.05 -0.09 0.06 0.00 -0.01 0.00 0.00 54.79 54.80 1itw n ASP 655 Cb 0.42 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.70 1itw n ASP 655 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1itw h ASN 656 N 0.00 0.12 -0.63 -1.12 -0.73 -1.08 -0.29 115.58 111.84 1itw h ASN 656 Ca 0.00 0.13 -0.06 0.00 1.87 0.00 0.00 56.30 58.24 1itw h ASN 656 Cb 0.00 0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 1itw h ASN 656 CO 0.00 0.01 0.18 0.03 -0.37 0.00 0.00 177.43 177.28 1itw h ARG 657 N 0.33 1.02 -0.45 6.67 3.08 -1.93 -2.25 114.38 120.86 1itw h ARG 657 Ca 0.42 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 1itw h ARG 657 Cb 0.70 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1itw h ARG 657 CO -0.47 0.90 -0.04 0.78 -1.07 0.00 0.00 179.97 180.06 1itw h GLY 658 N 1.06 0.82 1.55 0.04 0.00 -1.45 -2.21 103.07 102.88 1itw h GLY 658 Ca 0.21 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1itw h GLY 658 CO -0.00 0.53 -0.13 1.48 0.00 0.00 0.00 176.54 178.41 1itw h SER 659 N 0.71 0.53 -0.09 0.19 4.64 -0.78 -2.03 113.55 116.72 1itw h SER 659 Ca 0.13 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1itw h SER 659 Cb 0.49 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1itw h SER 659 CO 0.03 0.69 -0.24 0.45 -0.87 0.00 0.00 176.83 176.89 1itw h HIS 660 N 0.50 0.58 -0.26 4.77 -0.00 -1.02 -0.55 115.15 119.17 1itw h HIS 660 Ca 0.09 -0.12 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 1itw h HIS 660 Cb 0.53 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 1itw h HIS 660 CO 0.02 0.72 0.04 0.35 -0.00 0.00 0.00 177.93 179.06 1itw h PHE 661 N 0.46 0.46 -0.28 2.45 3.57 -0.81 -1.06 116.94 121.72 1itw h PHE 661 Ca 0.07 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1itw h PHE 661 Cb 0.66 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1itw h PHE 661 CO 0.02 0.54 0.06 1.88 -2.23 0.00 0.00 178.31 178.59 1itw h TYR 662 N 0.24 0.41 -0.12 0.41 -1.99 -1.10 0.19 116.97 115.01 1itw h TYR 662 Ca 0.08 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1itw h TYR 662 Cb 0.33 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 1itw h TYR 662 CO 0.02 0.37 0.04 1.25 -0.00 0.00 0.00 178.16 179.85 1itw h LEU 663 N 0.40 0.16 -0.67 3.88 5.85 -0.70 -0.56 115.31 123.69 1itw h LEU 663 Ca 0.10 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1itw h LEU 663 Cb 0.18 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1itw h LEU 663 CO -0.00 0.29 0.41 0.00 -0.34 0.00 0.00 178.44 178.80 1itw h ALA 664 N 0.88 0.87 0.41 1.25 0.00 -0.39 0.15 119.26 122.43 1itw h ALA 664 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1itw h ALA 664 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1itw h ALA 664 CO -0.00 0.15 -0.22 1.25 0.00 0.00 0.00 179.25 180.43 1itw h LEU 665 N 0.79 -0.53 -0.83 0.00 5.85 -0.40 0.33 115.31 120.51 1itw h LEU 665 Ca 0.27 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 1itw h LEU 665 Cb 0.05 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1itw h LEU 665 CO -0.12 -0.36 0.02 1.88 -0.34 0.00 0.00 178.44 179.52 1itw h TYR 666 N -0.59 0.96 -0.08 1.25 0.99 -0.90 -0.82 116.97 117.78 1itw h TYR 666 Ca -0.05 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.53 1itw h TYR 666 Cb 0.46 -0.26 -0.00 0.00 1.00 0.00 0.00 36.73 37.93 1itw h TYR 666 CO -0.07 0.86 0.00 2.35 -0.00 0.00 0.00 178.16 181.30 1itw h TRP 667 N 0.83 0.15 -0.80 4.88 2.91 -0.62 -0.47 115.95 122.84 1itw h TRP 667 Ca 0.16 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 1itw h TRP 667 Cb 0.47 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 29.04 1itw h TRP 667 CO 0.03 0.40 0.46 0.00 -1.03 0.00 0.00 178.44 178.30 1itw h ALA 668 N 0.73 1.02 -0.51 2.65 0.00 -0.82 -0.34 119.26 121.99 1itw h ALA 668 Ca 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1itw h ALA 668 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1itw h ALA 668 CO 0.00 0.51 0.18 1.96 0.00 0.00 0.00 179.25 181.90 1itw h GLN 669 N 1.10 0.78 -0.67 0.00 4.20 -1.05 -0.79 115.11 118.68 1itw h GLN 669 Ca 0.28 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1itw h GLN 669 Cb 0.00 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1itw h GLN 669 CO -0.05 0.71 0.31 0.00 -0.67 0.00 0.00 178.83 179.13 1itw h ALA 670 N 1.03 0.86 -0.22 3.87 0.00 -0.70 -1.84 119.26 122.26 1itw h ALA 670 Ca 0.17 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1itw h ALA 670 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1itw h ALA 670 CO -0.01 0.44 -0.16 -0.07 0.00 0.00 0.00 179.25 179.45 1itw h LEU 671 N 0.93 0.36 -0.49 0.00 3.38 -0.82 -1.36 115.31 117.31 1itw h LEU 671 Ca 0.23 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1itw h LEU 671 Cb 0.14 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1itw h LEU 671 CO -0.03 0.55 -0.11 0.00 0.09 0.00 0.00 178.44 178.94 1itw h ALA 672 N 1.49 0.95 0.00 1.53 0.00 -0.66 -3.30 119.26 119.26 1itw h ALA 672 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1itw h ALA 672 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1itw h ALA 672 CO 0.03 0.14 -1.33 0.00 0.00 0.00 0.00 179.25 178.09 1itw n ALA 673 N -2.13 3.75 -1.78 0.00 0.00 -0.74 -4.87 120.51 114.74 1itw n ALA 673 Ca 0.02 -0.51 -0.37 0.00 0.00 0.00 0.00 53.44 52.59 1itw n ALA 673 Cb 0.50 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 1itw n ALA 673 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1itw s GLN 674 N -3.05 3.83 -0.31 0.00 1.03 -0.55 -4.97 119.66 115.64 1itw s GLN 674 Ca 0.01 1.67 0.09 0.00 0.04 0.00 0.00 55.36 57.17 1itw s GLN 674 Cb 0.14 -2.39 0.57 0.00 0.03 0.00 0.00 33.01 31.36 1itw s GLN 674 CO 0.80 -0.47 1.60 0.25 -2.54 0.00 0.00 175.29 174.93 1itw n THR 675 N -0.48 2.70 -0.07 3.63 -2.24 -1.26 -4.58 114.28 111.98 1itw n THR 675 Ca 0.07 -2.32 -0.06 0.00 -2.27 0.00 0.00 64.05 59.47 1itw n THR 675 Cb 0.49 -0.35 -0.13 0.00 -2.10 0.00 0.00 70.33 68.24 1itw n THR 675 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1itw n GLU 676 N -0.94 1.21 -3.69 -0.78 0.00 -1.26 -4.92 120.64 110.27 1itw n GLU 676 Ca 0.38 -0.03 -0.27 0.00 0.00 0.00 0.00 57.16 57.24 1itw n GLU 676 Cb 1.20 -1.42 -0.16 0.00 0.00 0.00 0.00 31.44 31.05 1itw n GLU 676 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1itw s ASP 677 N -4.92 2.82 0.29 -1.84 -1.08 -1.26 -5.02 116.67 105.65 1itw s ASP 677 Ca -0.08 -0.81 -0.00 0.00 -0.52 0.00 0.00 52.55 51.13 1itw s ASP 677 Cb 0.06 -0.50 0.43 0.00 -1.46 0.00 0.00 42.92 41.46 1itw s ASP 677 CO 0.69 -0.33 1.83 0.11 0.52 0.00 0.00 175.17 177.99 1itw h LYS 678 N 8.29 0.76 -0.46 4.34 1.57 -1.91 -2.07 116.57 127.09 1itw h LYS 678 Ca -0.16 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1itw h LYS 678 Cb 1.12 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1itw h LYS 678 CO 0.33 0.71 0.13 0.93 -0.57 0.00 0.00 179.45 180.98 1itw h GLU 679 N 0.73 0.73 -0.49 3.15 5.08 -1.99 -0.60 114.58 121.19 1itw h GLU 679 Ca 0.16 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1itw h GLU 679 Cb 0.32 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1itw h GLU 679 CO 0.00 0.71 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.49 1itw h LEU 680 N 0.62 0.95 -0.55 1.33 3.38 -1.89 -1.14 115.31 118.01 1itw h LEU 680 Ca 0.15 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1itw h LEU 680 Cb 0.29 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1itw h LEU 680 CO -0.00 1.10 0.32 -0.61 0.09 0.00 0.00 178.44 179.33 1itw h GLN 681 N 0.83 0.75 -0.25 1.13 4.15 -1.12 -0.25 115.11 120.35 1itw h GLN 681 Ca 0.12 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 1itw h GLN 681 Cb 0.71 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1itw h GLN 681 CO 0.05 0.56 -0.01 0.00 -1.93 0.00 0.00 178.83 177.50 1itw h ALA 682 N 1.15 0.34 -0.77 3.38 0.00 -0.98 -2.24 119.26 120.14 1itw h ALA 682 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1itw h ALA 682 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1itw h ALA 682 CO -0.03 0.08 0.44 0.37 0.00 0.00 0.00 179.25 180.11 1itw h GLN 683 N 0.22 1.06 -0.01 0.00 4.15 -0.98 -3.04 115.11 116.51 1itw h GLN 683 Ca 0.07 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1itw h GLN 683 Cb 0.43 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1itw h GLN 683 CO 0.01 0.77 -0.14 1.19 -1.93 0.00 0.00 178.83 178.73 1itw n PHE 684 N -4.46 0.00 0.03 3.99 3.01 -0.13 -4.15 117.46 115.75 1itw n PHE 684 Ca 0.07 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.42 1itw n PHE 684 Cb 0.08 -0.07 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 1itw n PHE 684 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1itw h THR 685 N 1.62 1.00 -0.25 4.37 2.02 -1.28 0.16 112.91 120.55 1itw h THR 685 Ca 0.00 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 1itw h THR 685 Cb 0.49 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1itw h THR 685 CO 0.00 0.01 -0.30 1.23 0.37 0.00 0.00 175.52 176.82 1itw h GLY 686 N 0.03 0.55 0.80 2.16 0.00 -1.74 -1.60 103.07 103.27 1itw h GLY 686 Ca 0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1itw h GLY 686 CO -0.01 0.44 0.01 -2.22 0.00 0.00 0.00 176.54 174.75 1itw h ILE 687 N 0.44 1.25 -0.75 2.60 1.08 -1.67 -0.91 117.51 119.54 1itw h ILE 687 Ca 0.06 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 1itw h ILE 687 Cb 0.75 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 35.92 1itw h ILE 687 CO 0.06 0.24 0.47 0.00 -0.69 0.00 0.00 178.15 178.24 1itw h ALA 688 N 0.78 0.95 -0.14 1.87 0.00 -0.58 -0.88 119.26 121.26 1itw h ALA 688 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1itw h ALA 688 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1itw h ALA 688 CO 0.01 0.39 0.08 -0.22 0.00 0.00 0.00 179.25 179.51 1itw h LYS 689 N 1.02 0.20 -0.27 0.00 3.64 -1.14 0.13 116.57 120.14 1itw h LYS 689 Ca 0.27 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1itw h LYS 689 Cb -0.08 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1itw h LYS 689 CO -0.05 0.20 0.14 0.00 -2.27 0.00 0.00 179.45 177.47 1itw h ALA 690 N 0.99 0.33 -0.49 5.00 0.00 -0.81 0.17 119.26 124.45 1itw h ALA 690 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1itw h ALA 690 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1itw h ALA 690 CO -0.01 -0.25 -0.11 -0.07 0.00 0.00 0.00 179.25 178.81 1itw h LEU 691 N 0.30 0.89 -0.05 0.00 3.38 -1.06 -1.82 115.31 116.94 1itw h LEU 691 Ca 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1itw h LEU 691 Cb 0.02 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1itw h LEU 691 CO -0.07 1.01 0.00 0.74 0.09 0.00 0.00 178.44 180.22 1itw h THR 692 N 0.80 1.25 0.00 0.22 2.02 -0.38 -1.66 112.91 115.16 1itw h THR 692 Ca 0.13 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1itw h THR 692 Cb 0.63 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1itw h THR 692 CO 0.04 0.21 -0.11 0.44 0.37 0.00 0.00 175.52 176.47 1itw h ASP 693 N -0.20 0.00 -0.32 4.18 3.32 -0.66 -3.02 116.42 119.73 1itw h ASP 693 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1itw h ASP 693 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1itw h ASP 693 CO 0.00 0.11 0.00 0.59 -1.72 0.00 0.00 179.24 178.22 1itw n ASN 694 N -3.41 3.74 0.09 6.45 3.02 -0.69 -4.74 115.26 119.72 1itw n ASN 694 Ca -0.01 -2.69 -0.13 0.00 -0.03 0.00 0.00 54.58 51.72 1itw n ASN 694 Cb 0.28 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.93 1itw n ASN 694 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1itw h GLU 695 N 2.08 -0.52 -0.40 3.52 4.81 -1.16 0.17 114.58 123.08 1itw h GLU 695 Ca 0.00 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1itw h GLU 695 Cb 1.26 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1itw h GLU 695 CO 0.17 -0.35 0.26 1.15 -0.73 0.00 0.00 179.01 179.51 1itw h THR 696 N -0.54 1.09 -0.60 0.32 2.02 -1.85 -0.31 112.91 113.04 1itw h THR 696 Ca 0.04 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1itw h THR 696 Cb 0.60 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1itw h THR 696 CO -0.25 0.10 0.26 0.50 0.37 0.00 0.00 175.52 176.51 1itw h LYS 697 N 0.53 0.88 -0.14 6.66 3.64 -1.83 -1.19 116.57 125.12 1itw h LYS 697 Ca 0.15 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1itw h LYS 697 Cb -0.05 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1itw h LYS 697 CO -0.04 0.73 -0.03 0.82 -2.27 0.00 0.00 179.45 178.67 1itw h ILE 698 N 0.83 1.29 -0.88 2.00 2.04 -0.42 -1.45 117.51 120.91 1itw h ILE 698 Ca 0.20 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 65.17 1itw h ILE 698 Cb 0.16 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 1itw h ILE 698 CO -0.02 0.28 0.57 0.58 0.00 0.00 0.00 178.15 179.56 1itw h VAL 699 N -0.03 1.03 -0.45 1.67 2.07 -0.99 -0.33 116.25 119.22 1itw h VAL 699 Ca 0.04 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1itw h VAL 699 Cb 0.45 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1itw h VAL 699 CO 0.01 0.17 -0.01 1.23 0.02 0.00 0.00 177.57 179.00 1itw h GLY 700 N 0.95 0.86 1.16 2.17 0.00 -0.99 -0.22 103.07 107.00 1itw h GLY 700 Ca 0.39 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1itw h GLY 700 CO -0.15 0.59 0.12 0.83 0.00 0.00 0.00 176.54 177.93 1itw h GLU 701 N 0.64 1.03 -0.56 4.80 5.08 -0.38 -1.08 114.58 124.11 1itw h GLU 701 Ca 0.13 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1itw h GLU 701 Cb 0.51 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1itw h GLU 701 CO 0.02 0.94 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.89 1itw h LEU 702 N 0.97 0.98 -1.34 1.33 3.38 -0.89 -2.81 115.31 116.92 1itw h LEU 702 Ca 0.20 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1itw h LEU 702 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1itw h LEU 702 CO 0.01 1.05 -0.26 0.00 0.09 0.00 0.00 178.44 179.33 1itw h ALA 703 N 0.96 1.45 0.00 1.53 0.00 -0.70 -2.24 119.26 120.27 1itw h ALA 703 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1itw h ALA 703 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1itw h ALA 703 CO 0.03 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1itw h ALA 704 N 1.64 1.00 -0.00 0.00 0.00 -0.94 -1.42 119.26 119.54 1itw h ALA 704 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1itw h ALA 704 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1itw h ALA 704 CO 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.21 1itw n ALA 705 N -1.95 2.68 -2.82 0.00 0.00 -0.84 -4.85 120.51 112.74 1itw n ALA 705 Ca 0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 1itw n ALA 705 Cb 0.20 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1itw n ALA 705 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1itw s GLN 706 N -2.46 3.48 0.00 0.00 -0.21 -0.53 -4.63 119.66 115.31 1itw s GLN 706 Ca 0.30 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 55.19 1itw s GLN 706 Cb 0.20 -2.82 0.00 0.00 1.00 0.00 0.00 33.01 31.39 1itw s GLN 706 CO 0.46 0.36 0.00 0.41 -2.12 0.00 0.00 175.29 174.40 1itw n GLY 707 N -1.15 0.51 3.13 3.09 0.00 0.13 -4.99 105.19 105.91 1itw n GLY 707 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1itw n GLY 707 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itw s LYS 708 N -0.99 0.76 0.57 1.61 1.02 -1.20 -4.96 119.74 116.55 1itw s LYS 708 Ca 0.00 -1.31 -0.19 0.00 0.02 0.00 0.00 55.97 54.49 1itw s LYS 708 Cb 0.00 0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 1itw s LYS 708 CO 0.00 -0.10 1.19 -2.14 -0.92 0.00 0.00 175.35 173.38 1itw s PRO 709 N -3.91 3.11 -0.09 -1.68 0.02 -1.22 -1.67 135.00 129.56 1itw s PRO 709 Ca 0.12 1.77 0.03 0.00 0.02 0.00 0.00 61.00 62.95 1itw s PRO 709 Cb 0.07 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1itw s PRO 709 CO -0.06 -1.08 -0.20 0.08 -0.33 0.00 0.00 177.00 175.41 1itw s VAL 710 N -1.63 1.74 -0.23 3.83 1.01 0.12 -4.83 120.40 120.40 1itw s VAL 710 Ca 0.76 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1itw s VAL 710 Cb -0.29 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1itw s VAL 710 CO 0.32 0.49 -0.09 -0.62 0.00 0.00 0.00 175.10 175.20 1itw s ASP 711 N 0.46 4.07 -0.14 3.32 2.15 -1.26 -4.60 116.67 120.66 1itw s ASP 711 Ca -0.17 -0.76 0.16 0.00 0.43 0.00 0.00 52.55 52.21 1itw s ASP 711 Cb -0.17 -1.64 0.43 0.00 -0.30 0.00 0.00 42.92 41.25 1itw s ASP 711 CO 0.07 -0.08 1.33 2.30 -0.17 0.00 0.00 175.17 178.61 1itw n ILE 712 N 4.67 2.03 -3.73 4.11 -5.35 -1.26 -4.89 119.36 114.95 1itw n ILE 712 Ca -0.18 -1.87 -0.23 0.00 -0.27 0.00 0.00 62.75 60.21 1itw n ILE 712 Cb 0.48 -0.16 0.02 0.00 -1.74 0.00 0.00 39.64 38.25 1itw n ILE 712 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1itw n ALA 713 N -0.64 -2.07 0.00 -1.28 0.00 -1.26 -0.88 120.51 114.38 1itw n ALA 713 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1itw n ALA 713 Cb 0.77 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1itw n ALA 713 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itw n GLY 714 N -1.65 -0.62 2.03 0.00 0.00 -1.26 -3.80 105.19 99.89 1itw n GLY 714 Ca -0.28 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1itw n GLY 714 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1itw n TYR 715 N 3.41 -2.72 0.12 1.61 9.36 -1.26 -4.69 117.16 122.99 1itw n TYR 715 Ca 0.00 0.59 0.01 0.00 3.32 0.00 0.00 57.90 61.82 1itw n TYR 715 Cb 0.00 1.09 -0.00 0.00 -0.63 0.00 0.00 39.34 39.80 1itw n TYR 715 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1itw h TYR 716 N 0.00 0.00 -1.40 2.98 -1.99 -1.95 -3.40 116.97 111.21 1itw h TYR 716 Ca 0.00 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.29 1itw h TYR 716 Cb 0.00 0.00 -0.32 0.00 2.00 0.00 0.00 36.73 38.41 1itw h TYR 716 CO 0.00 0.56 -0.94 1.58 -0.00 0.00 0.00 178.16 179.36 1itw n HIS 717 N -3.20 -1.10 -1.28 4.88 -0.00 -1.26 -4.39 115.22 108.87 1itw n HIS 717 Ca 0.00 -3.11 -0.30 0.00 -0.00 0.00 0.00 57.72 54.32 1itw n HIS 717 Cb 0.77 0.22 0.13 0.00 -0.00 0.00 0.00 29.99 31.10 1itw n HIS 717 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1itw s PRO 718 N -0.94 1.49 -0.10 1.57 0.04 -1.26 -4.76 135.00 131.05 1itw s PRO 718 Ca 0.34 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 1itw s PRO 718 Cb 0.23 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 1itw s PRO 718 CO -0.13 -2.07 1.56 1.21 0.04 0.00 0.00 177.00 177.61 1itw s ASN 719 N -3.52 6.69 0.38 6.66 3.84 -0.05 -4.89 114.94 124.04 1itw s ASN 719 Ca 0.63 2.04 0.07 0.00 0.21 0.00 0.00 52.86 55.81 1itw s ASN 719 Cb -0.17 -2.53 0.76 0.00 -0.55 0.00 0.00 41.25 38.75 1itw s ASN 719 CO 0.56 -0.93 1.95 0.71 -2.79 0.00 0.00 177.10 176.60 1itw h THR 720 N 5.63 1.16 -0.08 -5.21 1.35 -1.92 -1.65 112.91 112.17 1itw h THR 720 Ca -0.36 -0.57 -0.01 0.00 -0.55 0.00 0.00 66.41 64.92 1itw h THR 720 Cb 1.16 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1itw h THR 720 CO 0.96 0.20 0.01 0.44 -0.25 0.00 0.00 175.52 176.88 1itw h ASP 721 N 0.42 0.14 -0.77 5.36 3.32 -1.97 -0.92 116.42 122.01 1itw h ASP 721 Ca 0.10 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 1itw h ASP 721 Cb 0.21 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1itw h ASP 721 CO 0.00 0.40 0.29 -0.07 -1.72 0.00 0.00 179.24 178.13 1itw h LEU 722 N -0.12 1.08 -0.28 1.55 3.38 -1.86 -1.15 115.31 117.91 1itw h LEU 722 Ca 0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1itw h LEU 722 Cb 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1itw h LEU 722 CO 0.00 0.97 -0.06 0.74 0.09 0.00 0.00 178.44 180.18 1itw h THR 723 N 1.13 1.28 -0.50 0.22 2.02 -1.27 -1.61 112.91 114.17 1itw h THR 723 Ca 0.25 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.35 1itw h THR 723 Cb 0.25 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1itw h THR 723 CO -0.02 0.35 0.33 -1.28 0.37 0.00 0.00 175.52 175.27 1itw h SER 724 N 0.31 0.57 -0.23 4.18 0.87 -1.02 0.64 113.55 118.86 1itw h SER 724 Ca 0.07 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1itw h SER 724 Cb 0.54 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1itw h SER 724 CO 0.03 0.41 0.09 0.11 -0.53 0.00 0.00 176.83 176.94 1itw h LYS 725 N 0.68 0.20 -0.40 2.24 6.56 -1.11 -0.46 116.57 124.28 1itw h LYS 725 Ca 0.19 -0.01 -0.08 0.00 -1.06 0.00 0.00 60.65 59.68 1itw h LYS 725 Cb -0.07 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 1itw h LYS 725 CO -0.04 0.14 -0.08 0.00 -2.06 0.00 0.00 179.45 177.40 1itw h ALA 726 N 1.13 1.11 0.00 3.86 0.00 -0.93 -2.99 119.26 121.44 1itw h ALA 726 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1itw h ALA 726 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1itw h ALA 726 CO -0.09 0.56 -0.16 -1.33 0.00 0.00 0.00 179.25 178.23 1itw n MET 727 N -4.19 0.15 -3.17 0.00 2.81 0.18 -4.15 117.12 108.76 1itw n MET 727 Ca 0.01 0.10 -0.24 0.00 -1.81 0.00 0.00 57.70 55.77 1itw n MET 727 Cb 0.33 -1.65 -0.05 0.00 -0.71 0.00 0.00 33.22 31.14 1itw n MET 727 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1itw n ARG 728 N -1.90 1.80 0.00 0.03 1.74 -0.21 -4.47 116.66 113.64 1itw n ARG 728 Ca 0.06 -3.98 0.14 0.00 -0.77 0.00 0.00 57.85 53.30 1itw n ARG 728 Cb 0.39 -1.84 0.68 0.00 -1.02 0.00 0.00 32.46 30.67 1itw n ARG 728 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1itw n PRO 729 N 0.52 0.22 -3.22 5.56 -0.04 -1.20 -4.76 135.00 132.07 1itw n PRO 729 Ca 0.27 0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.30 1itw n PRO 729 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 1itw n PRO 729 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1itw s SER 730 N -2.77 6.21 0.33 3.54 0.15 -1.26 -4.85 113.70 115.04 1itw s SER 730 Ca 0.21 -0.91 0.05 0.00 0.70 0.00 0.00 55.95 56.01 1itw s SER 730 Cb 0.19 -2.26 0.57 0.00 -1.71 0.00 0.00 66.02 62.81 1itw s SER 730 CO 0.48 -0.79 1.82 0.00 1.20 0.00 0.00 173.24 175.95 1itw h ALA 731 N 8.90 1.29 -0.43 5.45 0.00 -1.96 -1.18 119.26 131.32 1itw h ALA 731 Ca -0.27 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1itw h ALA 731 Cb 1.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1itw h ALA 731 CO 0.91 0.47 -0.05 1.15 0.00 0.00 0.00 179.25 181.73 1itw h THR 732 N 0.37 1.27 -0.21 0.00 2.02 -1.96 -0.15 112.91 114.25 1itw h THR 732 Ca 0.07 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 1itw h THR 732 Cb 0.51 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1itw h THR 732 CO 0.03 0.38 0.01 0.15 0.37 0.00 0.00 175.52 176.47 1itw h PHE 733 N 0.63 0.40 -0.70 3.16 3.57 -1.87 -1.21 116.94 120.92 1itw h PHE 733 Ca 0.12 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1itw h PHE 733 Cb 0.57 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1itw h PHE 733 CO 0.04 0.54 0.43 -0.91 -2.23 0.00 0.00 178.31 176.19 1itw h ASN 734 N 0.14 0.71 -0.12 0.41 2.35 -1.12 -2.35 115.58 115.60 1itw h ASN 734 Ca 0.06 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1itw h ASN 734 Cb 0.38 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1itw h ASN 734 CO 0.01 0.49 -0.21 0.00 -1.65 0.00 0.00 177.43 176.06 1itw h ALA 735 N 1.30 1.09 0.00 -0.83 0.00 -0.87 -2.96 119.26 116.99 1itw h ALA 735 Ca 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1itw h ALA 735 Cb 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1itw h ALA 735 CO -0.11 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 1itw h ALA 736 N 1.28 1.78 -0.02 0.00 0.00 -0.66 -2.01 119.26 119.62 1itw h ALA 736 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1itw h ALA 736 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1itw h ALA 736 CO 0.05 0.07 -0.02 1.28 0.00 0.00 0.00 179.25 180.63 1itw n LEU 737 N -4.29 2.50 -0.26 0.00 4.77 -1.13 -4.53 117.00 114.07 1itw n LEU 737 Ca -0.03 -0.84 0.05 0.00 -0.03 0.00 0.00 56.01 55.17 1itw n LEU 737 Cb 0.14 -0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.42 1itw n LEU 737 CO 0.33 0.42 1.04 0.00 -1.33 0.00 0.00 177.39 177.85 1itw h ALA 738 N 4.56 1.09 0.00 -1.18 0.00 -1.29 -1.35 119.26 121.10 1itw h ALA 738 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1itw h ALA 738 Cb 0.84 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1itw h ALA 738 CO 0.00 -0.17 0.00 -1.35 0.00 0.00 0.00 179.25 177.73 1itw h PRO 739 N 0.50 0.00 -6.39 0.00 0.11 -1.79 -3.44 132.00 120.98 1itw h PRO 739 Ca 0.42 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.99 1itw h PRO 739 Cb 0.60 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.72 1itw h PRO 739 CO -0.38 0.00 0.96 -0.51 -0.21 0.00 0.00 178.00 177.86 1itw s LEU 740 N -5.47 4.34 0.00 2.35 1.43 -0.51 -5.15 118.68 115.67 1itw s LEU 740 Ca -0.03 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1itw s LEU 740 Cb 0.10 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1itw s LEU 740 CO 0.35 -0.84 0.02 0.00 0.23 0.00 0.00 176.35 176.11