#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e3i s LYS 5 N 0.00 4.55 -0.13 1.61 1.02 -1.26 -4.69 119.74 120.84 1e3i s LYS 5 Ca 0.00 1.20 -0.27 0.00 0.02 0.00 0.00 55.97 56.93 1e3i s LYS 5 Cb 0.00 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1e3i s LYS 5 CO 0.00 0.43 0.88 0.08 -0.92 0.00 0.00 175.35 175.82 1e3i s VAL 6 N -1.39 4.87 -0.09 3.17 1.01 -1.26 -4.11 120.40 122.59 1e3i s VAL 6 Ca 0.43 1.77 -0.13 0.00 0.00 0.00 0.00 61.98 64.06 1e3i s VAL 6 Cb -0.21 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1e3i s VAL 6 CO 0.25 0.05 0.31 -0.63 0.00 0.00 0.00 175.10 175.08 1e3i s ILE 7 N 1.88 5.25 -0.28 2.22 1.01 -0.72 -4.92 121.20 125.64 1e3i s ILE 7 Ca 0.42 0.59 -0.08 0.00 0.00 0.00 0.00 60.65 61.58 1e3i s ILE 7 Cb -0.17 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 1e3i s ILE 7 CO 0.16 0.51 0.11 -0.54 0.00 0.00 0.00 174.94 175.18 1e3i s LYS 8 N -0.44 3.41 0.36 2.79 1.02 -1.26 -0.33 119.74 125.28 1e3i s LYS 8 Ca 0.19 -0.65 0.02 0.00 0.02 0.00 0.00 55.97 55.55 1e3i s LYS 8 Cb -0.14 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 1e3i s LYS 8 CO 0.08 -0.33 0.43 0.00 -0.92 0.00 0.00 175.35 174.60 1e3i s LYS 10 N -3.03 3.47 0.19 0.00 -2.85 -1.26 0.21 119.74 116.46 1e3i s LYS 10 Ca 0.34 -0.48 -0.23 0.00 -1.00 0.00 0.00 55.97 54.60 1e3i s LYS 10 Cb 0.00 -2.94 0.06 0.00 -2.06 0.00 0.00 37.83 32.89 1e3i s LYS 10 CO 0.24 0.50 0.63 0.00 0.10 0.00 0.00 175.35 176.83 1e3i s ALA 11 N -1.73 -1.51 -0.26 0.59 0.00 0.08 -1.78 121.76 117.15 1e3i s ALA 11 Ca 0.36 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.49 1e3i s ALA 11 Cb -0.11 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1e3i s ALA 11 CO 0.28 -0.84 0.23 0.00 0.00 0.00 0.00 175.76 175.44 1e3i s ALA 12 N -3.79 3.57 -0.05 0.00 0.00 0.53 -0.24 121.76 121.78 1e3i s ALA 12 Ca 0.04 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1e3i s ALA 12 Cb -0.02 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1e3i s ALA 12 CO -0.08 -0.43 -0.18 0.42 0.00 0.00 0.00 175.76 175.49 1e3i s ILE 13 N 1.54 2.71 -0.43 0.00 1.01 0.50 -3.91 121.20 122.62 1e3i s ILE 13 Ca 0.10 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 1e3i s ILE 13 Cb -0.15 -2.04 0.07 0.00 0.01 0.00 0.00 42.46 40.35 1e3i s ILE 13 CO 0.08 0.58 0.30 0.00 0.00 0.00 0.00 174.94 175.90 1e3i s ALA 14 N -0.52 3.39 0.22 9.38 0.00 0.54 -0.92 121.76 133.85 1e3i s ALA 14 Ca 0.07 -2.06 0.09 0.00 0.00 0.00 0.00 51.96 50.06 1e3i s ALA 14 Cb -0.11 -2.80 0.14 0.00 0.00 0.00 0.00 23.12 20.35 1e3i s ALA 14 CO 0.01 -1.63 1.49 -1.49 0.00 0.00 0.00 175.76 174.14 1e3i h TRP 15 N 8.54 0.02 -2.31 0.00 4.06 -1.85 0.04 115.95 124.46 1e3i h TRP 15 Ca -0.25 -0.01 0.14 0.00 2.06 0.00 0.00 58.89 60.82 1e3i h TRP 15 Cb 1.10 -0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.13 1e3i h TRP 15 CO 0.61 0.77 0.49 -1.59 -3.56 0.00 0.00 178.44 175.16 1e3i s LYS 16 N -3.29 0.97 0.69 0.49 -2.85 -1.26 -4.24 119.74 110.25 1e3i s LYS 16 Ca -0.01 -0.44 -0.15 0.00 -1.00 0.00 0.00 55.97 54.37 1e3i s LYS 16 Cb 0.12 0.39 0.02 0.00 -2.06 0.00 0.00 37.83 36.29 1e3i s LYS 16 CO 0.79 -0.44 1.14 0.99 0.10 0.00 0.00 175.35 177.93 1e3i s THR 17 N -3.19 2.91 0.00 3.79 2.01 -1.26 -3.28 115.64 116.62 1e3i s THR 17 Ca 0.08 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1e3i s THR 17 Cb -0.01 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1e3i s THR 17 CO -0.05 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.23 1e3i n GLY 18 N -0.21 2.00 3.33 4.40 0.00 -0.14 -4.95 105.19 109.62 1e3i n GLY 18 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1e3i n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1e3i s SER 19 N -3.47 2.93 1.18 1.61 0.01 -1.20 -5.08 113.70 109.68 1e3i s SER 19 Ca 0.00 -0.67 -0.19 0.00 1.31 0.00 0.00 55.95 56.40 1e3i s SER 19 Cb 0.00 -0.20 0.28 0.00 0.21 0.00 0.00 66.02 66.31 1e3i s SER 19 CO 0.00 0.15 1.11 -2.16 0.41 0.00 0.00 173.24 172.76 1e3i s PRO 20 N -1.75 -1.08 0.51 12.44 0.04 -1.26 -4.86 135.00 139.03 1e3i s PRO 20 Ca 0.10 -0.04 -0.19 0.00 0.04 0.00 0.00 61.00 60.92 1e3i s PRO 20 Cb -0.10 -1.61 -0.08 0.00 0.04 0.00 0.00 34.50 32.76 1e3i s PRO 20 CO 0.04 -3.63 1.02 -0.51 0.04 0.00 0.00 177.00 173.96 1e3i s LEU 21 N -6.89 3.73 -0.07 -3.56 1.43 -1.26 -4.73 118.68 107.34 1e3i s LEU 21 Ca 0.71 1.78 0.06 0.00 -1.03 0.00 0.00 54.13 55.65 1e3i s LEU 21 Cb -0.10 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.57 1e3i s LEU 21 CO 0.56 -0.76 -0.25 0.00 0.23 0.00 0.00 176.35 176.14 1e3i s ILE 23 N -0.06 4.58 0.15 0.00 -1.09 -1.26 -0.37 121.20 123.16 1e3i s ILE 23 Ca -0.07 1.88 0.02 0.00 -2.23 0.00 0.00 60.65 60.25 1e3i s ILE 23 Cb -0.15 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 1e3i s ILE 23 CO 0.05 -0.03 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.10 1e3i s GLU 24 N 2.29 1.03 -0.30 2.79 0.41 0.67 -4.95 118.70 120.64 1e3i s GLU 24 Ca 0.50 -1.47 -0.15 0.00 -0.41 0.00 0.00 54.97 53.45 1e3i s GLU 24 Cb -0.20 -0.26 -0.03 0.00 -1.78 0.00 0.00 34.13 31.86 1e3i s GLU 24 CO 0.18 -0.09 0.35 -1.21 -0.49 0.00 0.00 175.26 173.99 1e3i s GLU 25 N -3.89 3.84 0.41 1.61 2.02 -1.26 -0.74 118.70 120.69 1e3i s GLU 25 Ca 0.20 -0.17 0.07 0.00 0.02 0.00 0.00 54.97 55.09 1e3i s GLU 25 Cb 0.06 -3.71 -0.07 0.00 0.10 0.00 0.00 34.13 30.50 1e3i s GLU 25 CO 0.01 -0.36 0.06 0.96 0.02 0.00 0.00 175.26 175.95 1e3i s ILE 26 N 2.02 2.06 -0.24 -1.63 -4.36 0.13 -4.69 121.20 114.50 1e3i s ILE 26 Ca 0.13 -1.92 -0.02 0.00 -0.26 0.00 0.00 60.65 58.58 1e3i s ILE 26 Cb -0.16 -2.98 0.02 0.00 1.25 0.00 0.00 42.46 40.59 1e3i s ILE 26 CO 0.11 0.00 -0.06 -1.61 0.24 0.00 0.00 174.94 173.61 1e3i s GLU 27 N -3.77 2.93 -0.43 0.37 8.01 0.37 -1.90 118.70 124.28 1e3i s GLU 27 Ca 0.36 -0.92 -0.14 0.00 0.01 0.00 0.00 54.97 54.28 1e3i s GLU 27 Cb 0.08 -2.97 0.05 0.00 -4.31 0.00 0.00 34.13 26.98 1e3i s GLU 27 CO 0.19 -0.36 0.32 0.08 0.01 0.00 0.00 175.26 175.50 1e3i s VAL 28 N 1.35 5.07 0.90 2.63 1.01 0.55 -2.09 120.40 129.81 1e3i s VAL 28 Ca 0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1e3i s VAL 28 Cb -0.16 -3.93 0.14 0.00 0.00 0.00 0.00 36.38 32.42 1e3i s VAL 28 CO -0.05 -0.42 1.15 -0.44 0.00 0.00 0.00 175.10 175.34 1e3i s SER 29 N 2.06 3.05 0.71 3.32 0.01 -0.08 -1.75 113.70 121.03 1e3i s SER 29 Ca 0.04 2.20 -0.12 0.00 1.31 0.00 0.00 55.95 59.39 1e3i s SER 29 Cb -0.21 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.47 1e3i s SER 29 CO 0.08 -3.02 1.08 -2.16 0.41 0.00 0.00 173.24 169.62 1e3i s PRO 30 N -4.59 2.69 0.23 12.44 0.04 -1.26 -4.85 135.00 139.69 1e3i s PRO 30 Ca 0.67 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1e3i s PRO 30 Cb -0.23 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1e3i s PRO 30 CO 0.57 -1.30 1.19 -1.25 0.04 0.00 0.00 177.00 176.25 1e3i s PRO 31 N -4.80 4.51 0.00 0.56 0.04 -1.26 -5.04 135.00 129.00 1e3i s PRO 31 Ca 0.61 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1e3i s PRO 31 Cb -0.16 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1e3i s PRO 31 CO 0.52 -0.03 0.00 1.63 0.04 0.00 0.00 177.00 179.17 1e3i n LYS 32 N 1.98 2.77 -2.09 4.56 5.02 -1.26 -4.29 118.16 124.84 1e3i n LYS 32 Ca 0.02 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.91 1e3i n LYS 32 Cb 0.44 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.44 1e3i n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1e3i s ALA 33 N -3.14 3.41 -1.46 7.82 0.00 -1.26 -2.98 121.76 124.14 1e3i s ALA 33 Ca 0.00 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 1e3i s ALA 33 Cb 0.00 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.70 1e3i s ALA 33 CO 0.00 -0.71 0.99 0.00 0.00 0.00 0.00 175.76 176.03 1e3i s GLU 35 N -6.45 0.64 -0.02 0.00 2.02 -1.16 -1.35 118.70 112.38 1e3i s GLU 35 Ca 0.55 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1e3i s GLU 35 Cb -0.27 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.22 1e3i s GLU 35 CO 0.81 -0.15 0.01 0.08 0.02 0.00 0.00 175.26 176.03 1e3i s VAL 36 N -3.46 0.04 -0.32 2.63 1.01 -0.65 -0.88 120.40 118.76 1e3i s VAL 36 Ca 0.02 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 1e3i s VAL 36 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1e3i s VAL 36 CO -0.08 0.09 0.41 -0.60 0.00 0.00 0.00 175.10 174.92 1e3i s ARG 37 N 0.84 3.71 -0.03 2.72 3.52 -0.10 -1.68 118.95 127.93 1e3i s ARG 37 Ca -0.07 -0.21 -0.04 0.00 -0.13 0.00 0.00 55.73 55.28 1e3i s ARG 37 Cb -0.11 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 1e3i s ARG 37 CO -0.02 -0.49 0.17 0.42 -0.81 0.00 0.00 175.30 174.57 1e3i s ILE 38 N 2.14 5.43 -0.40 4.11 1.01 0.13 -0.90 121.20 132.72 1e3i s ILE 38 Ca 0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 1e3i s ILE 38 Cb -0.16 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1e3i s ILE 38 CO 0.12 0.39 0.29 -1.58 0.00 0.00 0.00 174.94 174.15 1e3i s GLN 39 N -1.74 3.01 -0.00 2.79 0.74 0.24 -1.31 119.66 123.39 1e3i s GLN 39 Ca 0.25 -0.99 -0.30 0.00 0.05 0.00 0.00 55.36 54.37 1e3i s GLN 39 Cb -0.12 -3.95 -0.06 0.00 1.10 0.00 0.00 33.01 29.98 1e3i s GLN 39 CO 0.15 -0.72 1.45 0.08 -0.55 0.00 0.00 175.29 175.70 1e3i s VAL 40 N 1.68 3.63 -0.22 1.34 1.01 0.36 -2.00 120.40 126.21 1e3i s VAL 40 Ca 0.05 1.00 0.11 0.00 0.00 0.00 0.00 61.98 63.14 1e3i s VAL 40 Cb -0.19 -3.65 -0.20 0.00 0.00 0.00 0.00 36.38 32.34 1e3i s VAL 40 CO 0.10 -0.01 -0.06 -0.38 0.00 0.00 0.00 175.10 174.75 1e3i n ILE 41 N 4.75 1.36 -3.70 2.22 2.08 -0.76 -4.83 119.36 120.48 1e3i n ILE 41 Ca 0.14 -0.70 -0.11 0.00 0.56 0.00 0.00 62.75 62.64 1e3i n ILE 41 Cb 0.43 -0.87 -0.11 0.00 -0.75 0.00 0.00 39.64 38.34 1e3i n ILE 41 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1e3i s ALA 42 N -2.48 -1.07 -0.00 -1.39 0.00 -1.03 -4.05 121.76 111.74 1e3i s ALA 42 Ca -0.20 1.50 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 1e3i s ALA 42 Cb 0.07 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 1e3i s ALA 42 CO 0.70 -0.26 0.05 -0.08 0.00 0.00 0.00 175.76 176.16 1e3i s THR 43 N 1.24 0.05 0.27 0.00 -1.32 -0.70 -1.57 115.64 113.62 1e3i s THR 43 Ca -0.08 -0.42 0.10 0.00 -1.21 0.00 0.00 61.69 60.08 1e3i s THR 43 Cb -0.08 -0.21 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 1e3i s THR 43 CO -0.11 -0.23 -0.00 0.00 -2.21 0.00 0.00 174.62 172.07 1e3i s VAL 45 N -2.35 5.29 0.07 0.00 1.01 -1.26 -4.43 120.40 118.74 1e3i s VAL 45 Ca 0.32 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.94 1e3i s VAL 45 Cb -0.06 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1e3i s VAL 45 CO 0.20 0.37 -0.02 0.00 0.00 0.00 0.00 175.10 175.65 1e3i h PRO 47 N 3.64 0.00 -0.16 0.00 0.13 -1.98 0.30 132.00 133.93 1e3i h PRO 47 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1e3i h PRO 47 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1e3i h PRO 47 CO 0.58 0.00 -0.22 1.15 -0.23 0.00 0.00 178.00 179.28 1e3i h THR 48 N 0.00 1.23 -0.44 1.56 2.02 -2.00 -0.96 112.91 114.32 1e3i h THR 48 Ca 0.21 -1.07 -0.14 0.00 0.77 0.00 0.00 66.41 66.17 1e3i h THR 48 Cb 1.08 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1e3i h THR 48 CO -0.00 0.33 -0.28 0.44 0.37 0.00 0.00 175.52 176.38 1e3i h ASP 49 N 0.26 1.01 -0.51 4.18 3.32 -0.80 -3.12 116.42 120.76 1e3i h ASP 49 Ca 0.04 -0.41 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 1e3i h ASP 49 Cb 0.54 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1e3i h ASP 49 CO 0.04 1.21 -0.01 0.40 -1.72 0.00 0.00 179.24 179.16 1e3i h ILE 50 N 0.82 1.26 -0.44 0.35 2.04 -1.22 -3.11 117.51 117.21 1e3i h ILE 50 Ca 0.09 -1.10 0.08 0.00 1.00 0.00 0.00 64.86 64.93 1e3i h ILE 50 Cb 0.86 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1e3i h ILE 50 CO 0.08 0.39 0.30 0.78 0.00 0.00 0.00 178.15 179.70 1e3i h ASN 51 N 0.77 0.22 -0.73 1.72 2.35 -1.13 -2.62 115.58 116.16 1e3i h ASN 51 Ca 0.14 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 56.07 1e3i h ASN 51 Cb 0.54 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 1e3i h ASN 51 CO 0.03 0.14 0.50 0.00 -1.65 0.00 0.00 177.43 176.44 1e3i h ALA 52 N 1.77 2.31 -0.40 -0.83 0.00 -1.50 0.69 119.26 121.29 1e3i h ALA 52 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1e3i h ALA 52 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1e3i h ALA 52 CO -0.04 -0.52 0.00 0.25 0.00 0.00 0.00 179.25 178.95 1e3i n THR 53 N -4.43 0.53 -3.04 0.00 -2.24 -0.99 -4.68 114.28 99.43 1e3i n THR 53 Ca 0.14 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1e3i n THR 53 Cb 0.62 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 1e3i n THR 53 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1e3i s ASP 54 N -1.25 6.53 0.52 3.42 -1.08 0.23 -0.96 116.67 124.08 1e3i s ASP 54 Ca 0.35 0.39 0.38 0.00 -0.52 0.00 0.00 52.55 53.14 1e3i s ASP 54 Cb 0.19 -2.36 1.55 0.00 -1.46 0.00 0.00 42.92 40.83 1e3i s ASP 54 CO 0.26 -0.60 1.72 -0.65 0.52 0.00 0.00 175.17 176.42 1e3i h PRO 55 N 8.32 0.05 0.00 4.34 0.11 -1.88 0.56 132.00 143.49 1e3i h PRO 55 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1e3i h PRO 55 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1e3i h PRO 55 CO 0.85 0.03 0.00 1.63 -0.21 0.00 0.00 178.00 180.31 1e3i n LYS 56 N -4.21 0.13 -4.32 1.05 4.01 -1.26 -4.79 118.16 108.77 1e3i n LYS 56 Ca 0.32 0.06 -0.32 0.00 -0.51 0.00 0.00 58.31 57.86 1e3i n LYS 56 Cb 1.44 -1.50 -0.09 0.00 -0.51 0.00 0.00 35.03 34.37 1e3i n LYS 56 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1e3i s LYS 57 N -2.84 2.62 0.12 1.97 -0.14 0.20 -5.09 119.74 116.57 1e3i s LYS 57 Ca 0.17 -0.71 -0.30 0.00 -1.36 0.00 0.00 55.97 53.76 1e3i s LYS 57 Cb 0.17 -2.57 -0.06 0.00 -1.68 0.00 0.00 37.83 33.69 1e3i s LYS 57 CO 0.43 0.60 1.14 0.21 -0.76 0.00 0.00 175.35 176.97 1e3i s LYS 58 N -1.67 4.51 0.17 1.68 2.20 -1.26 -4.80 119.74 120.57 1e3i s LYS 58 Ca 0.20 1.73 -0.24 0.00 -0.36 0.00 0.00 55.97 57.30 1e3i s LYS 58 Cb -0.11 -3.32 0.06 0.00 -1.51 0.00 0.00 37.83 32.95 1e3i s LYS 58 CO 0.11 -0.09 0.74 0.00 -0.36 0.00 0.00 175.35 175.74 1e3i s ALA 59 N 0.42 -1.53 0.04 3.13 0.00 -1.26 -4.76 121.76 117.79 1e3i s ALA 59 Ca 0.54 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.83 1e3i s ALA 59 Cb -0.29 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1e3i s ALA 59 CO 0.32 -0.88 -0.09 -0.51 0.00 0.00 0.00 175.76 174.61 1e3i s LEU 60 N -2.78 3.08 0.02 0.00 1.43 -1.26 -5.09 118.68 114.08 1e3i s LEU 60 Ca 0.06 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1e3i s LEU 60 Cb -0.03 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1e3i s LEU 60 CO -0.04 0.25 -0.03 -0.36 0.23 0.00 0.00 176.35 176.40 1e3i s PHE 61 N -1.05 0.24 0.58 0.29 0.40 -1.26 -4.22 117.98 112.96 1e3i s PHE 61 Ca 0.18 -0.50 -0.14 0.00 -0.60 0.00 0.00 56.93 55.87 1e3i s PHE 61 Cb -0.11 -0.18 -0.05 0.00 0.51 0.00 0.00 43.02 43.19 1e3i s PHE 61 CO 0.09 -0.18 1.02 -1.25 0.70 0.00 0.00 175.22 175.60 1e3i s PRO 62 N -1.38 3.63 -0.02 0.24 0.04 -1.26 -4.92 135.00 131.32 1e3i s PRO 62 Ca -0.15 0.94 -0.10 0.00 0.04 0.00 0.00 61.00 61.73 1e3i s PRO 62 Cb -0.09 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1e3i s PRO 62 CO -0.01 -0.54 0.22 0.54 0.04 0.00 0.00 177.00 177.25 1e3i s VAL 63 N -2.80 0.06 -0.49 -0.36 0.11 0.00 -0.66 120.40 116.26 1e3i s VAL 63 Ca 0.59 -0.47 -0.18 0.00 -2.93 0.00 0.00 61.98 58.99 1e3i s VAL 63 Cb -0.12 -0.48 0.06 0.00 -1.53 0.00 0.00 36.38 34.32 1e3i s VAL 63 CO 0.41 -0.26 0.53 -0.69 -3.33 0.00 0.00 175.10 171.76 1e3i s VAL 64 N -1.04 5.02 0.44 2.04 1.01 -0.75 -0.34 120.40 126.79 1e3i s VAL 64 Ca -0.11 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1e3i s VAL 64 Cb -0.06 -4.22 0.10 0.00 0.00 0.00 0.00 36.38 32.21 1e3i s VAL 64 CO 0.02 -0.69 0.56 0.18 0.00 0.00 0.00 175.10 175.17 1e3i n LEU 65 N 5.77 0.00 0.00 3.92 4.77 -1.25 -3.41 117.00 126.80 1e3i n LEU 65 Ca -0.09 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1e3i n LEU 65 Cb 0.45 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1e3i n LEU 65 CO 0.51 -1.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.16 1e3i n GLY 66 N 0.90 0.49 0.00 -0.72 0.00 -1.26 -1.68 105.19 102.92 1e3i n GLY 66 Ca 0.07 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1e3i n GLY 66 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1e3i n HIS 67 N 0.93 0.00 -3.80 1.61 1.44 -1.26 -1.69 115.22 112.45 1e3i n HIS 67 Ca 0.00 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.34 1e3i n HIS 67 Cb 0.00 0.05 -0.12 0.00 0.12 0.00 0.00 29.99 30.03 1e3i n HIS 67 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1e3i s GLU 68 N 0.00 2.41 0.25 -1.40 2.12 -1.26 -4.61 118.70 116.21 1e3i s GLU 68 Ca 0.00 -1.38 -0.15 0.00 0.36 0.00 0.00 54.97 53.80 1e3i s GLU 68 Cb 0.00 -3.42 0.06 0.00 0.26 0.00 0.00 34.13 31.03 1e3i s GLU 68 CO 0.00 -0.77 0.77 0.00 -0.54 0.00 0.00 175.26 174.72 1e3i s ALA 70 N -1.90 -0.81 0.00 0.00 0.00 -0.61 -4.26 121.76 114.18 1e3i s ALA 70 Ca 0.16 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1e3i s ALA 70 Cb -0.03 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1e3i s ALA 70 CO 0.08 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1e3i n GLY 71 N 1.41 2.78 3.09 0.00 0.00 -0.61 -1.83 105.19 110.04 1e3i n GLY 71 Ca -0.21 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 1e3i n GLY 71 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1e3i s ILE 72 N -1.94 0.47 -0.04 -0.61 -4.36 -0.85 -1.40 121.20 112.48 1e3i s ILE 72 Ca 0.00 -1.51 -0.30 0.00 -0.26 0.00 0.00 60.65 58.58 1e3i s ILE 72 Cb 0.00 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 1e3i s ILE 72 CO 0.00 -0.70 1.35 -0.69 0.24 0.00 0.00 174.94 175.14 1e3i s VAL 73 N -2.70 3.92 -0.13 8.37 1.01 0.62 -0.59 120.40 130.89 1e3i s VAL 73 Ca 0.00 1.25 -0.09 0.00 0.00 0.00 0.00 61.98 63.14 1e3i s VAL 73 Cb -0.01 -3.81 -0.25 0.00 0.00 0.00 0.00 36.38 32.31 1e3i s VAL 73 CO -0.04 -0.02 0.35 1.21 0.00 0.00 0.00 175.10 176.60 1e3i n GLU 74 N 5.60 0.73 -3.61 2.72 0.00 -0.08 -0.02 120.64 125.99 1e3i n GLU 74 Ca 0.13 0.31 -0.10 0.00 0.00 0.00 0.00 57.16 57.51 1e3i n GLU 74 Cb 0.44 -1.72 -0.06 0.00 0.00 0.00 0.00 31.44 30.10 1e3i n GLU 74 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1e3i s SER 75 N -7.03 -0.39 0.31 4.31 1.04 -1.12 -4.66 113.70 106.16 1e3i s SER 75 Ca -0.23 0.61 0.07 0.00 0.48 0.00 0.00 55.95 56.88 1e3i s SER 75 Cb 0.06 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1e3i s SER 75 CO 0.74 -0.24 0.34 0.68 0.98 0.00 0.00 173.24 175.75 1e3i s VAL 76 N -0.42 4.02 0.70 5.02 -7.23 -1.26 -0.92 120.40 120.30 1e3i s VAL 76 Ca 0.01 -1.22 -0.04 0.00 -1.81 0.00 0.00 61.98 58.92 1e3i s VAL 76 Cb -0.03 -3.36 0.09 0.00 0.56 0.00 0.00 36.38 33.65 1e3i s VAL 76 CO -0.03 -0.21 0.99 -0.83 -0.31 0.00 0.00 175.10 174.71 1e3i s GLY 77 N -4.02 1.75 0.22 2.32 0.00 -0.06 -4.81 107.32 102.72 1e3i s GLY 77 Ca 0.40 -1.30 -0.32 0.00 0.00 0.00 0.00 44.72 43.51 1e3i s GLY 77 CO 0.28 -0.83 1.42 -1.05 0.00 0.00 0.00 173.10 172.92 1e3i n PRO 78 N -2.85 1.97 0.00 2.90 -0.02 -1.23 -1.78 135.00 133.98 1e3i n PRO 78 Ca 0.11 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1e3i n PRO 78 Cb 0.60 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1e3i n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e3i n GLY 79 N 2.36 2.86 3.68 -1.23 0.00 -1.26 -3.90 105.19 107.70 1e3i n GLY 79 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1e3i n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1e3i s VAL 80 N -1.90 3.39 0.00 1.61 1.01 -0.74 -4.84 120.40 118.94 1e3i s VAL 80 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1e3i s VAL 80 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1e3i s VAL 80 CO 0.00 -0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.43 1e3i n THR 81 N 4.92 0.00 0.77 3.92 -2.24 -1.26 -4.68 114.28 115.72 1e3i n THR 81 Ca 0.15 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 1e3i n THR 81 Cb 0.42 0.32 0.49 0.00 -2.10 0.00 0.00 70.33 69.46 1e3i n THR 81 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1e3i n ASN 82 N -1.19 0.08 -4.02 3.42 3.02 -1.26 -4.78 115.26 110.54 1e3i n ASN 82 Ca 0.00 0.51 -0.15 0.00 -0.03 0.00 0.00 54.58 54.92 1e3i n ASN 82 Cb 0.02 -0.53 -0.13 0.00 -0.61 0.00 0.00 39.78 38.53 1e3i n ASN 82 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1e3i s PHE 83 N -3.02 0.60 0.04 3.10 0.08 -1.26 -4.91 117.98 112.61 1e3i s PHE 83 Ca 0.11 -0.31 -0.06 0.00 0.12 0.00 0.00 56.93 56.79 1e3i s PHE 83 Cb 0.15 -0.37 -0.01 0.00 -0.57 0.00 0.00 43.02 42.22 1e3i s PHE 83 CO 0.43 -0.05 0.11 -1.59 -0.10 0.00 0.00 175.22 174.03 1e3i s LYS 84 N -0.91 0.59 0.14 0.44 -2.85 -1.26 -4.80 119.74 111.09 1e3i s LYS 84 Ca -0.04 -0.72 -0.35 0.00 -1.00 0.00 0.00 55.97 53.86 1e3i s LYS 84 Cb -0.06 0.23 -0.15 0.00 -2.06 0.00 0.00 37.83 35.79 1e3i s LYS 84 CO 0.00 -0.15 1.47 -2.30 0.10 0.00 0.00 175.35 174.47 1e3i n PRO 85 N 0.81 1.73 0.00 1.78 -0.02 -1.26 -2.00 135.00 136.03 1e3i n PRO 85 Ca -0.19 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1e3i n PRO 85 Cb 0.58 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1e3i n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e3i n GLY 86 N 2.97 2.79 3.77 -1.23 0.00 0.98 -4.93 105.19 109.55 1e3i n GLY 86 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1e3i n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e3i s ASP 87 N -0.64 6.26 0.00 1.61 1.01 -0.85 -4.61 116.67 119.45 1e3i s ASP 87 Ca 0.00 2.77 -0.25 0.00 0.71 0.00 0.00 52.55 55.78 1e3i s ASP 87 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 1e3i s ASP 87 CO 0.00 -0.90 0.75 -0.54 0.21 0.00 0.00 175.17 174.69 1e3i s LYS 88 N -2.23 4.47 0.08 8.23 1.02 -1.26 -0.28 119.74 129.78 1e3i s LYS 88 Ca 0.57 1.01 0.00 0.00 0.02 0.00 0.00 55.97 57.57 1e3i s LYS 88 Cb -0.40 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1e3i s LYS 88 CO 0.53 0.20 -0.03 0.14 -0.92 0.00 0.00 175.35 175.26 1e3i s VAL 89 N 0.28 0.40 -0.13 3.17 -7.23 -0.49 -0.49 120.40 115.92 1e3i s VAL 89 Ca 0.39 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1e3i s VAL 89 Cb -0.20 -1.65 0.04 0.00 0.56 0.00 0.00 36.38 35.13 1e3i s VAL 89 CO 0.21 -0.89 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.49 1e3i s ILE 90 N -3.81 0.57 0.76 -0.62 1.01 -0.72 -1.57 121.20 116.82 1e3i s ILE 90 Ca 0.11 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 1e3i s ILE 90 Cb 0.07 -0.83 0.11 0.00 0.01 0.00 0.00 42.46 41.82 1e3i s ILE 90 CO -0.06 0.10 1.07 -2.16 0.00 0.00 0.00 174.94 173.88 1e3i s PRO 91 N 1.87 1.70 -0.03 2.79 0.04 -1.26 -2.21 135.00 137.91 1e3i s PRO 91 Ca 0.03 -0.57 -0.29 0.00 0.04 0.00 0.00 61.00 60.21 1e3i s PRO 91 Cb -0.14 -2.16 0.10 0.00 0.04 0.00 0.00 34.50 32.34 1e3i s PRO 91 CO -0.07 -1.55 0.88 -0.59 0.04 0.00 0.00 177.00 175.72 1e3i s PHE 92 N -3.34 -0.38 0.06 0.56 -0.12 0.84 -4.62 117.98 110.98 1e3i s PHE 92 Ca 0.65 0.34 0.17 0.00 -0.05 0.00 0.00 56.93 58.04 1e3i s PHE 92 Cb -0.08 0.52 0.42 0.00 -0.63 0.00 0.00 43.02 43.25 1e3i s PHE 92 CO 0.46 -0.53 1.61 0.27 -0.05 0.00 0.00 175.22 176.98 1e3i h PHE 93 N 2.15 0.00 -2.81 3.49 -5.15 -1.79 -3.42 116.94 109.41 1e3i h PHE 93 Ca -0.22 0.00 -0.60 0.00 -0.20 0.00 0.00 57.97 56.94 1e3i h PHE 93 Cb 1.23 0.00 -0.12 0.00 0.22 0.00 0.00 35.95 37.27 1e3i h PHE 93 CO 0.27 0.46 0.66 0.00 -2.00 0.00 0.00 178.31 177.69 1e3i s ALA 94 N -3.34 3.06 0.71 12.09 0.00 -1.26 -4.87 121.76 128.15 1e3i s ALA 94 Ca 0.01 -1.51 -0.11 0.00 0.00 0.00 0.00 51.96 50.35 1e3i s ALA 94 Cb 0.10 -3.89 0.02 0.00 0.00 0.00 0.00 23.12 19.34 1e3i s ALA 94 CO 0.71 -2.73 1.10 -1.25 0.00 0.00 0.00 175.76 173.60 1e3i s PRO 95 N 4.35 2.84 -0.45 0.00 0.04 -1.26 -4.59 135.00 135.93 1e3i s PRO 95 Ca 0.28 0.45 0.06 0.00 0.04 0.00 0.00 61.00 61.84 1e3i s PRO 95 Cb -0.13 -2.02 0.22 0.00 0.04 0.00 0.00 34.50 32.60 1e3i s PRO 95 CO 0.15 -1.05 0.62 0.94 0.04 0.00 0.00 177.00 177.70 1e3i n GLN 96 N -3.01 0.58 0.31 4.56 7.27 -0.64 -4.36 117.38 122.08 1e3i n GLN 96 Ca 0.07 -2.59 0.21 0.00 0.07 0.00 0.00 57.00 54.75 1e3i n GLN 96 Cb 0.57 -1.43 1.04 0.00 2.41 0.00 0.00 30.24 32.83 1e3i n GLN 96 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1e3i n LYS 98 N -3.02 -1.90 -0.02 0.00 5.02 -1.26 -4.79 118.16 112.19 1e3i n LYS 98 Ca -0.02 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1e3i n LYS 98 Cb 0.13 -5.43 0.00 0.00 -0.02 0.00 0.00 35.03 29.71 1e3i n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1e3i n ARG 99 N -2.84 1.10 -4.50 1.97 1.74 -1.26 -5.02 116.66 107.84 1e3i n ARG 99 Ca -0.20 -0.93 -0.25 0.00 -0.77 0.00 0.00 57.85 55.71 1e3i n ARG 99 Cb 0.64 -0.70 -0.08 0.00 -1.02 0.00 0.00 32.46 31.29 1e3i n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1e3i h LYS 101 N 1.85 0.71 -0.93 0.00 3.64 -1.99 -3.19 116.57 116.65 1e3i h LYS 101 Ca -0.36 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 58.71 1e3i h LYS 101 Cb 1.27 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 1e3i h LYS 101 CO 0.58 0.90 0.56 -0.07 -2.27 0.00 0.00 179.45 179.15 1e3i h LEU 102 N 0.49 1.13 -1.13 5.20 3.38 -1.95 -2.39 115.31 120.04 1e3i h LEU 102 Ca 0.08 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1e3i h LEU 102 Cb 0.69 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1e3i h LEU 102 CO 0.05 0.87 0.17 0.00 0.09 0.00 0.00 178.44 179.62 1e3i h LEU 104 N 0.77 0.00 -9.40 0.00 3.38 -1.43 -3.45 115.31 105.18 1e3i h LEU 104 Ca 0.18 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.61 1e3i h LEU 104 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1e3i h LEU 104 CO -0.01 0.19 0.57 -0.55 0.09 0.00 0.00 178.44 178.73 1e3i s SER 105 N -6.11 7.13 0.00 -0.43 0.15 -0.80 -4.93 113.70 108.71 1e3i s SER 105 Ca 0.01 1.86 0.31 0.00 0.70 0.00 0.00 55.95 58.83 1e3i s SER 105 Cb 0.10 -2.57 1.68 0.00 -1.71 0.00 0.00 66.02 63.52 1e3i s SER 105 CO 0.62 -0.47 2.10 -0.81 1.20 0.00 0.00 173.24 175.89 1e3i n PRO 106 N 4.39 1.14 -0.09 5.44 -0.04 -1.26 -3.58 135.00 141.00 1e3i n PRO 106 Ca 0.09 -0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1e3i n PRO 106 Cb 0.47 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.64 1e3i n PRO 106 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1e3i n LEU 107 N -0.73 3.01 -3.48 1.53 4.32 -1.26 -4.97 117.00 115.42 1e3i n LEU 107 Ca 0.22 -1.16 -0.13 0.00 -0.02 0.00 0.00 56.01 54.92 1e3i n LEU 107 Cb 0.17 -0.12 -0.03 0.00 -1.62 0.00 0.00 43.42 41.82 1e3i n LEU 107 CO 0.18 0.58 0.37 0.28 -1.22 0.00 0.00 177.39 177.58 1e3i s THR 108 N -1.77 0.01 -0.55 -5.08 -1.32 -1.23 -5.02 115.64 100.68 1e3i s THR 108 Ca 0.34 -0.08 0.11 0.00 -1.21 0.00 0.00 61.69 60.85 1e3i s THR 108 Cb 0.21 -1.01 0.31 0.00 -1.51 0.00 0.00 72.50 70.50 1e3i s THR 108 CO 0.31 -0.04 1.24 -0.46 -2.21 0.00 0.00 174.62 173.46 1e3i n ASN 109 N 0.01 2.96 -4.77 8.08 6.94 -1.26 -4.81 115.26 122.41 1e3i n ASN 109 Ca -0.18 -2.30 -0.30 0.00 -0.02 0.00 0.00 54.58 51.78 1e3i n ASN 109 Cb 0.63 -0.28 0.11 0.00 -2.36 0.00 0.00 39.78 37.88 1e3i n ASN 109 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1e3i s LEU 110 N -1.54 2.43 -0.03 -4.53 1.43 -1.26 -4.84 118.68 110.35 1e3i s LEU 110 Ca 0.24 1.35 -0.02 0.00 -1.03 0.00 0.00 54.13 54.67 1e3i s LEU 110 Cb 0.16 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.53 1e3i s LEU 110 CO 0.11 -2.26 0.06 0.00 0.23 0.00 0.00 176.35 174.49 1e3i n GLY 112 N 3.41 -0.68 0.22 0.00 0.00 -1.26 -0.76 105.19 106.12 1e3i n GLY 112 Ca -0.17 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1e3i n GLY 112 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1e3i h LYS 113 N 0.00 0.00 -6.94 1.61 3.64 -1.95 -3.42 116.57 109.51 1e3i h LYS 113 Ca 0.00 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.88 1e3i h LYS 113 Cb 0.28 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1e3i h LYS 113 CO 0.00 0.23 0.48 -0.51 -2.27 0.00 0.00 179.45 177.39 1e3i s LEU 114 N -8.09 4.19 0.00 5.20 1.43 0.06 -4.92 118.68 116.56 1e3i s LEU 114 Ca -0.03 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 1e3i s LEU 114 Cb 0.14 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1e3i s LEU 114 CO 0.68 -0.64 0.00 0.54 0.23 0.00 0.00 176.35 177.16 1e3i n ARG 115 N 0.06 1.40 -3.37 1.70 5.12 -1.26 -4.99 116.66 115.32 1e3i n ARG 115 Ca 0.04 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.52 1e3i n ARG 115 Cb 0.47 -0.75 -0.07 0.00 -1.16 0.00 0.00 32.46 30.95 1e3i n ARG 115 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1e3i s ASN 116 N -2.44 6.15 -0.12 0.55 3.84 -1.26 -4.91 114.94 116.76 1e3i s ASN 116 Ca 0.00 -1.44 0.13 0.00 0.21 0.00 0.00 52.86 51.76 1e3i s ASN 116 Cb 0.00 -2.19 0.59 0.00 -0.55 0.00 0.00 41.25 39.10 1e3i s ASN 116 CO 0.00 -0.70 1.45 0.49 -2.79 0.00 0.00 177.10 175.56 1e3i n PHE 117 N 5.21 1.32 -0.02 0.43 3.72 -1.26 -3.33 117.46 123.53 1e3i n PHE 117 Ca -0.13 -0.50 -0.03 0.00 -0.05 0.00 0.00 57.45 56.75 1e3i n PHE 117 Cb 0.43 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 1e3i n PHE 117 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1e3i n LYS 118 N 0.73 2.34 -3.31 -1.08 4.76 -1.26 -4.85 118.16 115.48 1e3i n LYS 118 Ca 0.21 0.01 -0.25 0.00 -2.87 0.00 0.00 58.31 55.40 1e3i n LYS 118 Cb 0.81 -1.11 -0.08 0.00 -1.84 0.00 0.00 35.03 32.81 1e3i n LYS 118 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1e3i n TYR 119 N -2.31 -0.06 0.32 2.13 4.02 -1.25 -4.97 117.16 115.03 1e3i n TYR 119 Ca -0.08 -3.56 0.20 0.00 -0.01 0.00 0.00 57.90 54.45 1e3i n TYR 119 Cb 0.63 -0.17 1.08 0.00 -0.02 0.00 0.00 39.34 40.87 1e3i n TYR 119 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1e3i h PRO 120 N 4.64 0.00 0.00 -0.72 0.13 -1.88 -2.34 132.00 131.83 1e3i h PRO 120 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1e3i h PRO 120 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1e3i h PRO 120 CO 0.47 0.01 0.00 1.79 -0.23 0.00 0.00 178.00 180.04 1e3i h THR 121 N 0.00 0.00 -0.47 1.56 1.35 -1.93 -2.15 112.91 111.27 1e3i h THR 121 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1e3i h THR 121 Cb 0.05 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1e3i h THR 121 CO 0.00 0.00 0.00 2.30 -0.25 0.00 0.00 175.52 177.57 1e3i n ILE 122 N -3.05 1.08 -2.83 6.82 -5.35 -0.88 -4.53 119.36 110.62 1e3i n ILE 122 Ca -0.01 -1.04 -0.22 0.00 -0.27 0.00 0.00 62.75 61.21 1e3i n ILE 122 Cb 0.23 0.46 0.02 0.00 -1.74 0.00 0.00 39.64 38.61 1e3i n ILE 122 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1e3i s ASP 123 N -1.03 5.62 -1.56 7.28 -1.08 -0.81 -4.24 116.67 120.86 1e3i s ASP 123 Ca 0.33 0.21 -0.14 0.00 -0.52 0.00 0.00 52.55 52.42 1e3i s ASP 123 Cb 0.18 -1.31 0.10 0.00 -1.46 0.00 0.00 42.92 40.42 1e3i s ASP 123 CO 0.21 -0.88 0.93 0.00 0.52 0.00 0.00 175.17 175.95 1e3i n GLN 124 N -2.20 -5.02 0.00 4.34 6.02 -1.26 -3.47 117.38 115.79 1e3i n GLN 124 Ca 0.04 0.55 0.14 0.00 -0.01 0.00 0.00 57.00 57.72 1e3i n GLN 124 Cb 0.58 -5.39 0.68 0.00 1.02 0.00 0.00 30.24 27.13 1e3i n GLN 124 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1e3i n GLU 125 N -4.61 0.66 -3.95 -1.09 0.00 -1.26 -1.77 120.64 108.61 1e3i n GLU 125 Ca 0.03 -0.16 -0.10 0.00 0.00 0.00 0.00 57.16 56.93 1e3i n GLU 125 Cb 0.53 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.40 1e3i n GLU 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1e3i s LEU 126 N -2.46 0.94 0.00 -1.84 1.43 -1.26 -0.86 118.68 114.63 1e3i s LEU 126 Ca 0.30 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 1e3i s LEU 126 Cb 0.20 1.22 0.18 0.00 0.03 0.00 0.00 46.19 47.82 1e3i s LEU 126 CO 0.46 -0.90 0.63 0.23 0.23 0.00 0.00 176.35 177.00 1e3i n MET 127 N -0.22 -2.40 -0.09 1.70 2.81 -0.68 -4.82 117.12 113.42 1e3i n MET 127 Ca -0.08 -1.01 0.00 0.00 -1.81 0.00 0.00 57.70 54.81 1e3i n MET 127 Cb 0.63 -0.97 0.29 0.00 -0.71 0.00 0.00 33.22 32.46 1e3i n MET 127 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1e3i h GLU 128 N 0.00 0.72 -0.91 0.03 4.81 -1.97 -1.90 114.58 115.36 1e3i h GLU 128 Ca -0.24 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 58.76 1e3i h GLU 128 Cb 0.74 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.90 1e3i h GLU 128 CO 0.16 0.58 0.18 -0.40 -0.73 0.00 0.00 179.01 178.79 1e3i n ASP 129 N -4.36 3.33 -3.14 1.04 5.68 -1.26 -4.88 116.55 112.96 1e3i n ASP 129 Ca 0.04 -2.63 -0.22 0.00 -0.50 0.00 0.00 54.79 51.48 1e3i n ASP 129 Cb 0.14 -0.63 0.02 0.00 -1.14 0.00 0.00 41.12 39.51 1e3i n ASP 129 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1e3i n ARG 130 N -0.03 -4.06 -4.20 0.11 5.12 -0.71 -4.98 116.66 107.90 1e3i n ARG 130 Ca 0.22 0.70 -0.15 0.00 -1.93 0.00 0.00 57.85 56.69 1e3i n ARG 130 Cb 0.91 -5.48 -0.11 0.00 -1.16 0.00 0.00 32.46 26.62 1e3i n ARG 130 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1e3i s THR 131 N -3.04 1.07 0.17 0.55 -4.23 -1.26 -4.86 115.64 104.05 1e3i s THR 131 Ca 0.33 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1e3i s THR 131 Cb -0.16 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.17 1e3i s THR 131 CO 0.41 -0.55 0.34 -0.55 -0.54 0.00 0.00 174.62 173.73 1e3i s SER 132 N -2.54 6.37 0.00 3.99 0.15 -1.26 -1.69 113.70 118.71 1e3i s SER 132 Ca 0.08 0.31 0.17 0.00 0.70 0.00 0.00 55.95 57.21 1e3i s SER 132 Cb -0.03 -1.97 0.09 0.00 -1.71 0.00 0.00 66.02 62.41 1e3i s SER 132 CO 0.01 0.00 0.99 0.54 1.20 0.00 0.00 173.24 175.98 1e3i n ARG 133 N -0.56 1.47 -4.20 5.44 5.12 -1.26 -4.95 116.66 117.71 1e3i n ARG 133 Ca -0.06 -1.31 -0.35 0.00 -1.93 0.00 0.00 57.85 54.21 1e3i n ARG 133 Cb 0.54 -1.31 -0.10 0.00 -1.16 0.00 0.00 32.46 30.42 1e3i n ARG 133 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1e3i s PHE 134 N -1.57 3.20 0.00 -1.55 0.08 -1.26 -0.90 117.98 115.97 1e3i s PHE 134 Ca 0.18 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.29 1e3i s PHE 134 Cb 0.14 -1.95 -0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1e3i s PHE 134 CO 0.27 0.25 -0.02 0.99 -0.10 0.00 0.00 175.22 176.61 1e3i s THR 135 N -0.12 0.13 -0.22 0.64 2.01 -0.89 -1.80 115.64 115.40 1e3i s THR 135 Ca 0.05 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 1e3i s THR 135 Cb -0.12 -0.14 0.11 0.00 0.01 0.00 0.00 72.50 72.36 1e3i s THR 135 CO 0.02 -0.01 0.40 0.00 -0.69 0.00 0.00 174.62 174.33 1e3i n LYS 137 N 5.38 -5.85 -1.40 0.00 5.02 -1.26 -1.90 118.16 118.15 1e3i n LYS 137 Ca -0.06 0.74 -0.14 0.00 -2.02 0.00 0.00 58.31 56.83 1e3i n LYS 137 Cb 0.50 -5.55 -0.06 0.00 -0.02 0.00 0.00 35.03 29.90 1e3i n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1e3i n GLY 138 N -1.36 1.42 3.14 0.72 0.00 -1.26 -4.99 105.19 102.85 1e3i n GLY 138 Ca -0.28 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 1e3i n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e3i s ARG 139 N -3.12 1.73 0.08 1.61 0.52 -0.80 -5.12 118.95 113.85 1e3i s ARG 139 Ca 0.00 -0.61 -0.29 0.00 -0.52 0.00 0.00 55.73 54.31 1e3i s ARG 139 Cb 0.00 -1.52 -0.05 0.00 0.52 0.00 0.00 34.95 33.90 1e3i s ARG 139 CO 0.00 0.26 0.93 0.45 0.02 0.00 0.00 175.30 176.96 1e3i s SER 140 N -0.02 7.42 -0.07 0.23 0.15 -1.26 -0.62 113.70 119.53 1e3i s SER 140 Ca -0.02 1.71 0.01 0.00 0.70 0.00 0.00 55.95 58.34 1e3i s SER 140 Cb -0.11 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1e3i s SER 140 CO 0.02 -0.10 -0.10 -0.63 1.20 0.00 0.00 173.24 173.63 1e3i s ILE 141 N 0.21 3.43 0.63 6.45 -1.09 -0.74 -4.74 121.20 125.35 1e3i s ILE 141 Ca 0.47 -0.57 -0.17 0.00 -2.23 0.00 0.00 60.65 58.14 1e3i s ILE 141 Cb -0.22 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.25 1e3i s ILE 141 CO 0.28 0.58 1.17 -0.31 -1.23 0.00 0.00 174.94 175.43 1e3i s TYR 142 N -0.57 2.41 0.56 3.97 2.02 0.17 -4.45 117.35 121.46 1e3i s TYR 142 Ca 0.08 1.55 -0.01 0.00 -0.37 0.00 0.00 57.07 58.32 1e3i s TYR 142 Cb -0.12 -3.37 0.03 0.00 -0.40 0.00 0.00 41.96 38.10 1e3i s TYR 142 CO 0.02 -2.08 0.81 -1.01 -1.57 0.00 0.00 175.55 171.72 1e3i s HIS 143 N -1.90 2.98 -0.20 2.71 3.76 -0.04 -1.81 115.29 120.78 1e3i s HIS 143 Ca 0.73 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.83 1e3i s HIS 143 Cb -0.27 -2.75 0.05 0.00 1.11 0.00 0.00 32.58 30.73 1e3i s HIS 143 CO 0.37 -0.87 -0.08 0.12 -0.85 0.00 0.00 174.74 173.43 1e3i s PHE 144 N -2.83 2.30 -1.55 1.40 5.36 -1.22 -4.43 117.98 117.01 1e3i s PHE 144 Ca 0.56 -1.56 -0.12 0.00 -0.96 0.00 0.00 56.93 54.85 1e3i s PHE 144 Cb -0.10 -1.57 0.09 0.00 -0.34 0.00 0.00 43.02 41.09 1e3i s PHE 144 CO 0.40 -0.73 0.77 -1.33 -1.46 0.00 0.00 175.22 172.87 1e3i n MET 145 N 4.71 -4.13 -1.01 10.12 2.81 -1.23 -1.52 117.12 126.87 1e3i n MET 145 Ca -0.13 0.47 -0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1e3i n MET 145 Cb 0.46 -5.12 -0.00 0.00 -0.71 0.00 0.00 33.22 27.85 1e3i n MET 145 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1e3i n GLY 146 N -1.63 0.14 1.25 3.03 0.00 -0.73 -4.23 105.19 103.02 1e3i n GLY 146 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1e3i n GLY 146 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1e3i n VAL 147 N -2.24 0.74 -3.34 1.61 0.31 -0.58 -4.51 118.33 110.32 1e3i n VAL 147 Ca -0.00 0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 64.47 1e3i n VAL 147 Cb 0.38 -1.22 0.01 0.00 -0.91 0.00 0.00 33.84 32.10 1e3i n VAL 147 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1e3i n SER 148 N -3.27 -6.65 0.02 4.52 7.64 -0.68 -4.68 113.62 110.52 1e3i n SER 148 Ca 0.00 -0.44 0.13 0.00 1.01 0.00 0.00 58.87 59.56 1e3i n SER 148 Cb 0.00 -4.01 0.38 0.00 -1.01 0.00 0.00 64.21 59.57 1e3i n SER 148 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1e3i n SER 149 N -2.15 0.40 -3.43 6.43 3.41 -0.70 -4.42 113.62 113.15 1e3i n SER 149 Ca -0.11 0.18 -0.40 0.00 -0.26 0.00 0.00 58.87 58.28 1e3i n SER 149 Cb 0.57 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 1e3i n SER 149 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1e3i n PHE 150 N -1.70 2.67 -3.54 7.33 3.72 -0.68 -4.75 117.46 120.50 1e3i n PHE 150 Ca 0.06 -3.03 -0.16 0.00 -0.05 0.00 0.00 57.45 54.27 1e3i n PHE 150 Cb 0.37 -2.40 -0.06 0.00 -0.94 0.00 0.00 39.48 36.44 1e3i n PHE 150 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1e3i s SER 151 N 2.07 -0.60 0.31 4.37 0.15 -1.26 -0.34 113.70 118.39 1e3i s SER 151 Ca 0.63 0.72 -0.01 0.00 0.70 0.00 0.00 55.95 57.99 1e3i s SER 151 Cb 0.17 0.58 0.50 0.00 -1.71 0.00 0.00 66.02 65.56 1e3i s SER 151 CO -0.07 -0.51 1.96 1.56 1.20 0.00 0.00 173.24 177.38 1e3i h GLN 152 N 3.12 0.97 -4.97 5.44 4.20 -1.64 -3.40 115.11 118.83 1e3i h GLN 152 Ca -0.25 -0.08 -0.39 0.00 0.06 0.00 0.00 58.65 57.98 1e3i h GLN 152 Cb 1.15 -0.21 -0.25 0.00 0.30 0.00 0.00 27.48 28.46 1e3i h GLN 152 CO 0.34 0.67 -0.78 0.71 -0.67 0.00 0.00 178.83 179.10 1e3i s TYR 153 N -5.76 0.97 0.10 2.96 1.51 -1.26 -0.49 117.35 115.39 1e3i s TYR 153 Ca -0.11 -0.31 -0.07 0.00 -1.01 0.00 0.00 57.07 55.58 1e3i s TYR 153 Cb 0.17 -0.59 -0.01 0.00 -0.11 0.00 0.00 41.96 41.42 1e3i s TYR 153 CO 0.78 -0.00 0.16 -0.08 -1.11 0.00 0.00 175.55 175.30 1e3i s THR 154 N -0.72 0.14 -0.14 -0.71 -1.32 -0.43 -4.96 115.64 107.51 1e3i s THR 154 Ca 0.00 -1.39 0.02 0.00 -1.21 0.00 0.00 61.69 59.11 1e3i s THR 154 Cb -0.07 -1.53 0.01 0.00 -1.51 0.00 0.00 72.50 69.41 1e3i s THR 154 CO 0.01 -0.63 -0.21 -0.69 -2.21 0.00 0.00 174.62 170.89 1e3i s VAL 155 N -3.91 1.96 0.18 5.08 1.01 -1.26 0.21 120.40 123.67 1e3i s VAL 155 Ca 0.09 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1e3i s VAL 155 Cb 0.05 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1e3i s VAL 155 CO -0.08 0.53 -0.18 0.68 0.00 0.00 0.00 175.10 176.05 1e3i s VAL 156 N 0.86 1.89 0.55 2.92 -7.23 -0.67 -4.88 120.40 113.83 1e3i s VAL 156 Ca -0.07 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 57.89 1e3i s VAL 156 Cb -0.15 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.79 1e3i s VAL 156 CO -0.02 -0.36 1.12 -0.55 -0.31 0.00 0.00 175.10 174.97 1e3i s SER 157 N -2.86 5.73 0.59 4.85 0.15 -1.26 -1.64 113.70 119.25 1e3i s SER 157 Ca 0.19 2.13 0.29 0.00 0.70 0.00 0.00 55.95 59.25 1e3i s SER 157 Cb -0.05 -2.57 1.74 0.00 -1.71 0.00 0.00 66.02 63.43 1e3i s SER 157 CO 0.08 -1.21 2.19 -0.33 1.20 0.00 0.00 173.24 175.17 1e3i h GLU 158 N 1.11 0.00 0.00 5.44 5.08 -1.55 0.13 114.58 124.79 1e3i h GLU 158 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1e3i h GLU 158 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1e3i h GLU 158 CO 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.58 1e3i n ALA 159 N -2.34 2.13 -1.02 3.43 0.00 -1.26 -3.46 120.51 117.99 1e3i n ALA 159 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1e3i n ALA 159 Cb 0.17 -1.36 0.23 0.00 0.00 0.00 0.00 19.45 18.49 1e3i n ALA 159 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1e3i n ASN 160 N -1.30 3.44 -3.76 0.00 4.13 0.03 -1.62 115.26 116.17 1e3i n ASN 160 Ca 0.10 -3.05 -0.10 0.00 1.68 0.00 0.00 54.58 53.22 1e3i n ASN 160 Cb 0.18 -0.51 -0.05 0.00 -1.54 0.00 0.00 39.78 37.86 1e3i n ASN 160 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1e3i s LEU 161 N -2.85 0.37 -0.08 3.41 0.05 -1.23 -0.11 118.68 118.24 1e3i s LEU 161 Ca 0.39 -0.53 -0.09 0.00 0.05 0.00 0.00 54.13 53.96 1e3i s LEU 161 Cb 0.32 1.85 0.02 0.00 -2.05 0.00 0.00 46.19 46.33 1e3i s LEU 161 CO 0.07 -0.96 0.24 0.00 -0.55 0.00 0.00 176.35 175.15 1e3i s ALA 162 N -3.88 -0.60 0.27 1.48 0.00 -0.94 -4.80 121.76 113.30 1e3i s ALA 162 Ca 0.09 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 1e3i s ALA 162 Cb 0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 1e3i s ALA 162 CO -0.05 -0.13 1.05 0.50 0.00 0.00 0.00 175.76 177.14 1e3i s ARG 163 N -0.03 4.71 0.38 0.00 3.52 -1.26 -1.75 118.95 124.52 1e3i s ARG 163 Ca -0.02 1.71 0.04 0.00 -0.13 0.00 0.00 55.73 57.33 1e3i s ARG 163 Cb -0.02 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.09 1e3i s ARG 163 CO 0.01 0.31 0.05 0.14 -0.81 0.00 0.00 175.30 175.00 1e3i s VAL 164 N -1.15 1.26 -0.01 7.11 -7.23 0.36 -4.59 120.40 116.15 1e3i s VAL 164 Ca 0.43 -2.00 -0.40 0.00 -1.81 0.00 0.00 61.98 58.21 1e3i s VAL 164 Cb -0.30 -2.68 -0.20 0.00 0.56 0.00 0.00 36.38 33.76 1e3i s VAL 164 CO 0.38 0.00 1.13 -0.67 -0.31 0.00 0.00 175.10 175.63 1e3i n ASP 165 N -0.93 0.24 0.22 4.85 2.03 -1.26 -4.42 116.55 117.29 1e3i n ASP 165 Ca -0.06 1.16 0.15 0.00 0.52 0.00 0.00 54.79 56.56 1e3i n ASP 165 Cb 0.66 -0.95 0.80 0.00 -0.72 0.00 0.00 41.12 40.91 1e3i n ASP 165 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1e3i h ASP 166 N 3.29 0.00 -0.65 1.67 3.32 -1.99 -1.17 116.42 120.89 1e3i h ASP 166 Ca -0.50 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.41 1e3i h ASP 166 Cb 1.42 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.89 1e3i h ASP 166 CO 0.68 0.00 0.17 -0.62 -1.72 0.00 0.00 179.24 177.75 1e3i n GLU 167 N -4.05 4.00 -2.50 3.56 1.02 -1.26 -4.95 120.64 116.45 1e3i n GLU 167 Ca 0.00 -2.93 -0.41 0.00 -0.02 0.00 0.00 57.16 53.80 1e3i n GLU 167 Cb 0.23 -2.20 -0.04 0.00 -0.02 0.00 0.00 31.44 29.41 1e3i n GLU 167 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1e3i s ALA 168 N -2.78 3.38 -0.85 0.62 0.00 -0.44 -4.96 121.76 116.72 1e3i s ALA 168 Ca 0.52 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 53.06 1e3i s ALA 168 Cb 0.41 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 20.22 1e3i s ALA 168 CO 0.14 -0.22 1.28 1.21 0.00 0.00 0.00 175.76 178.16 1e3i s ASN 169 N -0.09 6.33 0.29 0.00 3.84 -1.26 -4.84 114.94 119.21 1e3i s ASN 169 Ca 0.50 -1.04 0.17 0.00 0.21 0.00 0.00 52.86 52.70 1e3i s ASN 169 Cb -0.30 -2.53 0.90 0.00 -0.55 0.00 0.00 41.25 38.78 1e3i s ASN 169 CO 0.35 -1.59 1.46 0.18 -2.79 0.00 0.00 177.10 174.71 1e3i n LEU 170 N 8.70 0.43 -0.00 3.21 4.77 -1.26 -0.64 117.00 132.21 1e3i n LEU 170 Ca 0.15 0.66 0.14 0.00 -0.03 0.00 0.00 56.01 56.93 1e3i n LEU 170 Cb 0.49 -0.68 0.64 0.00 -2.33 0.00 0.00 43.42 41.54 1e3i n LEU 170 CO 0.66 -0.81 0.96 1.21 -1.33 0.00 0.00 177.39 178.09 1e3i n GLU 171 N -2.10 0.09 0.00 3.23 2.13 -1.26 -3.62 120.64 119.10 1e3i n GLU 171 Ca -0.01 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1e3i n GLU 171 Cb 0.14 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.35 1e3i n GLU 171 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1e3i n ARG 172 N -1.46 0.37 0.06 5.31 5.12 0.19 -4.77 116.66 121.48 1e3i n ARG 172 Ca 0.08 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.09 1e3i n ARG 172 Cb 0.32 -0.77 0.36 0.00 -1.16 0.00 0.00 32.46 31.21 1e3i n ARG 172 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1e3i n VAL 173 N -1.92 1.06 0.28 1.55 3.14 -0.34 -2.28 118.33 119.83 1e3i n VAL 173 Ca 0.00 0.31 0.14 0.00 -2.96 0.00 0.00 64.34 61.84 1e3i n VAL 173 Cb 0.27 -1.17 0.81 0.00 -1.06 0.00 0.00 33.84 32.68 1e3i n VAL 173 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1e3i h LEU 175 N 0.00 0.00 -0.57 0.00 3.38 -1.76 0.09 115.31 116.45 1e3i h LEU 175 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1e3i h LEU 175 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1e3i h LEU 175 CO 0.01 0.14 0.00 -0.38 0.09 0.00 0.00 178.44 178.30 1e3i n ILE 176 N -3.98 0.98 0.30 1.22 5.41 -0.43 -2.10 119.36 120.76 1e3i n ILE 176 Ca -0.02 0.32 0.18 0.00 1.00 0.00 0.00 62.75 64.23 1e3i n ILE 176 Cb 0.23 -1.22 0.81 0.00 -0.71 0.00 0.00 39.64 38.75 1e3i n ILE 176 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1e3i h GLY 177 N 1.87 0.00 0.00 7.39 0.00 -1.10 -3.40 103.07 107.83 1e3i h GLY 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1e3i h GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1e3i h GLY 179 N 0.00 -0.71 0.74 0.00 0.00 -1.86 -1.24 103.07 100.00 1e3i h GLY 179 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1e3i h GLY 179 CO 0.00 -0.24 -0.03 -2.75 0.00 0.00 0.00 176.54 173.52 1e3i h PHE 180 N -0.54 -0.07 -0.84 5.60 3.57 -1.68 -2.49 116.94 120.48 1e3i h PHE 180 Ca 0.05 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.64 1e3i h PHE 180 Cb 0.63 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 1e3i h PHE 180 CO -0.41 0.19 0.49 0.77 -2.23 0.00 0.00 178.31 177.12 1e3i h SER 181 N -0.34 0.71 -0.19 0.41 0.02 -1.70 0.19 113.55 112.65 1e3i h SER 181 Ca -0.01 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1e3i h SER 181 Cb 0.30 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1e3i h SER 181 CO 0.01 0.41 0.01 0.28 -1.14 0.00 0.00 176.83 176.40 1e3i h SER 182 N 0.82 0.31 -0.10 3.07 0.02 -1.20 0.84 113.55 117.32 1e3i h SER 182 Ca 0.40 -0.29 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1e3i h SER 182 Cb 0.35 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1e3i h SER 182 CO -0.24 0.53 -0.24 1.23 -1.14 0.00 0.00 176.83 176.97 1e3i h GLY 183 N 0.09 0.38 0.72 -3.77 0.00 -1.14 -1.12 103.07 98.22 1e3i h GLY 183 Ca 0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1e3i h GLY 183 CO 0.01 0.42 -0.37 -1.82 0.00 0.00 0.00 176.54 174.77 1e3i h TYR 184 N -0.09 -1.00 -0.18 5.60 3.20 -0.62 -2.66 116.97 121.21 1e3i h TYR 184 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1e3i h TYR 184 Cb 0.84 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1e3i h TYR 184 CO 0.11 -0.54 0.02 0.78 -1.64 0.00 0.00 178.16 176.89 1e3i h GLY 185 N -0.84 0.28 0.74 1.82 0.00 -0.91 -2.46 103.07 101.71 1e3i h GLY 185 Ca -0.05 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.20 1e3i h GLY 185 CO -0.00 0.13 0.48 0.00 0.00 0.00 0.00 176.54 177.14 1e3i h ALA 186 N 1.77 1.07 0.01 3.60 0.00 -0.86 0.92 119.26 125.78 1e3i h ALA 186 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1e3i h ALA 186 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1e3i h ALA 186 CO 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 179.25 179.46 1e3i h ALA 187 N 1.37 -0.02 0.10 0.00 0.00 -1.24 0.32 119.26 119.80 1e3i h ALA 187 Ca 0.34 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1e3i h ALA 187 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1e3i h ALA 187 CO -0.16 -0.22 -0.05 0.82 0.00 0.00 0.00 179.25 179.64 1e3i h ILE 188 N -0.61 1.11 0.08 0.00 2.04 -1.22 -1.19 117.51 117.72 1e3i h ILE 188 Ca -0.00 -1.25 -0.25 0.00 1.00 0.00 0.00 64.86 64.37 1e3i h ILE 188 Cb 0.58 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1e3i h ILE 188 CO 0.00 0.28 -1.28 0.78 0.00 0.00 0.00 178.15 177.94 1e3i h ASN 189 N -0.75 0.28 0.00 1.72 2.35 0.69 -3.27 115.58 116.59 1e3i h ASN 189 Ca -0.01 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 1e3i h ASN 189 Cb 0.56 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1e3i h ASN 189 CO 0.02 1.55 -0.11 0.74 -1.65 0.00 0.00 177.43 177.98 1e3i h THR 190 N -0.48 0.00 0.00 2.81 2.02 -1.24 -3.36 112.91 112.66 1e3i h THR 190 Ca -0.29 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 65.93 1e3i h THR 190 Cb 1.62 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1e3i h THR 190 CO 0.01 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 175.64 1e3i h ALA 191 N -1.09 1.24 -5.77 6.16 0.00 -0.46 -3.47 119.26 115.87 1e3i h ALA 191 Ca 0.00 -0.23 -0.35 0.00 0.00 0.00 0.00 54.91 54.32 1e3i h ALA 191 Cb 0.11 -0.04 0.14 0.00 0.00 0.00 0.00 17.79 18.00 1e3i h ALA 191 CO 0.00 0.32 -0.79 1.63 0.00 0.00 0.00 179.25 180.41 1e3i n LYS 192 N -3.75 -6.18 -1.68 0.00 5.02 -0.76 -4.89 118.16 105.93 1e3i n LYS 192 Ca -0.01 0.79 -0.44 0.00 -2.02 0.00 0.00 58.31 56.62 1e3i n LYS 192 Cb 0.36 -5.68 -0.02 0.00 -0.02 0.00 0.00 35.03 29.67 1e3i n LYS 192 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1e3i n VAL 193 N -4.18 1.28 -4.15 -0.18 0.31 -0.52 -4.99 118.33 105.89 1e3i n VAL 193 Ca -0.29 -0.32 -0.26 0.00 -0.01 0.00 0.00 64.34 63.46 1e3i n VAL 193 Cb 0.67 -1.50 -0.06 0.00 -0.91 0.00 0.00 33.84 32.03 1e3i n VAL 193 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1e3i s THR 194 N -0.38 4.09 0.32 2.52 -4.23 -1.26 -4.86 115.64 111.84 1e3i s THR 194 Ca 0.64 -1.31 -0.29 0.00 -1.18 0.00 0.00 61.69 59.55 1e3i s THR 194 Cb -0.62 -3.09 -0.12 0.00 1.34 0.00 0.00 72.50 70.00 1e3i s THR 194 CO 0.53 -0.15 1.40 -2.65 -0.54 0.00 0.00 174.62 173.21 1e3i n PRO 195 N -0.37 2.29 -0.75 3.99 -0.02 -1.20 -1.92 135.00 137.03 1e3i n PRO 195 Ca -0.09 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1e3i n PRO 195 Cb 0.55 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1e3i n PRO 195 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e3i n GLY 196 N 1.21 1.25 3.79 -1.23 0.00 0.37 -4.91 105.19 105.67 1e3i n GLY 196 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1e3i n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e3i s SER 197 N -3.06 3.65 -0.12 1.61 1.04 -0.81 -4.24 113.70 111.77 1e3i s SER 197 Ca 0.00 0.99 0.01 0.00 0.48 0.00 0.00 55.95 57.42 1e3i s SER 197 Cb 0.00 -1.57 -0.01 0.00 0.10 0.00 0.00 66.02 64.53 1e3i s SER 197 CO 0.00 -2.47 -0.14 -0.89 0.98 0.00 0.00 173.24 170.72 1e3i s THR 198 N -3.28 2.94 0.22 2.02 2.01 -1.26 -0.52 115.64 117.77 1e3i s THR 198 Ca 0.63 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 62.01 1e3i s THR 198 Cb -0.15 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 1e3i s THR 198 CO 0.53 0.54 -0.16 0.00 -0.69 0.00 0.00 174.62 174.84 1e3i s ALA 200 N -2.81 0.79 -0.20 0.00 0.00 0.55 -0.82 121.76 119.28 1e3i s ALA 200 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 1e3i s ALA 200 Cb -0.02 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1e3i s ALA 200 CO 0.09 -0.21 -0.13 0.08 0.00 0.00 0.00 175.76 175.58 1e3i s VAL 201 N 1.36 2.61 -0.22 0.00 1.01 0.30 -0.16 120.40 125.30 1e3i s VAL 201 Ca -0.04 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1e3i s VAL 201 Cb -0.13 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1e3i s VAL 201 CO -0.03 0.48 0.16 -0.36 0.00 0.00 0.00 175.10 175.35 1e3i s PHE 202 N 1.36 3.36 0.00 5.22 0.40 -0.06 -1.34 117.98 126.93 1e3i s PHE 202 Ca 0.05 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 1e3i s PHE 202 Cb -0.14 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.16 1e3i s PHE 202 CO -0.09 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.41 1e3i n GLY 203 N 3.91 -0.84 2.45 4.36 0.00 -0.31 0.10 105.19 114.87 1e3i n GLY 203 Ca -0.15 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1e3i n GLY 203 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1e3i n LEU 204 N 0.00 5.77 0.00 0.99 4.77 -1.26 -3.78 117.00 123.49 1e3i n LEU 204 Ca 0.00 -4.91 0.00 0.00 -0.03 0.00 0.00 56.01 51.07 1e3i n LEU 204 Cb 0.00 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1e3i n LEU 204 CO 0.00 2.01 0.00 0.61 -1.33 0.00 0.00 177.39 178.68 1e3i n GLY 205 N -0.60 0.56 0.37 -0.72 0.00 -1.26 -4.61 105.19 98.92 1e3i n GLY 205 Ca 0.47 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.70 1e3i n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e3i h VAL 207 N 1.09 1.06 -0.95 0.00 2.07 -1.92 -1.64 116.25 115.95 1e3i h VAL 207 Ca 0.40 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1e3i h VAL 207 Cb 0.18 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1e3i h VAL 207 CO -0.15 0.21 0.62 1.23 0.02 0.00 0.00 177.57 179.50 1e3i h GLY 208 N -0.61 1.35 1.00 2.17 0.00 -1.62 0.49 103.07 105.85 1e3i h GLY 208 Ca -0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1e3i h GLY 208 CO 0.03 0.46 0.22 1.41 0.00 0.00 0.00 176.54 178.66 1e3i h LEU 209 N 1.25 0.86 -1.18 3.11 3.38 -1.17 -0.23 115.31 121.35 1e3i h LEU 209 Ca 0.36 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1e3i h LEU 209 Cb -0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1e3i h LEU 209 CO -0.09 0.82 -0.35 0.28 0.09 0.00 0.00 178.44 179.19 1e3i h SER 210 N 0.86 0.11 -0.14 -0.43 0.02 -0.68 -0.68 113.55 112.61 1e3i h SER 210 Ca 0.20 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 1e3i h SER 210 Cb 0.24 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1e3i h SER 210 CO -0.01 0.46 -0.27 0.00 -1.14 0.00 0.00 176.83 175.87 1e3i h ALA 211 N 1.55 0.96 -0.46 3.77 0.00 -0.29 0.26 119.26 125.05 1e3i h ALA 211 Ca 0.01 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1e3i h ALA 211 Cb 0.67 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1e3i h ALA 211 CO 0.05 0.61 0.03 0.82 0.00 0.00 0.00 179.25 180.75 1e3i h ILE 212 N 0.53 1.26 -0.69 0.00 2.04 -0.23 0.22 117.51 120.64 1e3i h ILE 212 Ca 0.07 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1e3i h ILE 212 Cb 0.74 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1e3i h ILE 212 CO 0.06 0.35 0.41 0.40 0.00 0.00 0.00 178.15 179.37 1e3i h ILE 213 N 0.64 1.20 -0.16 -0.67 2.04 -0.63 -0.66 117.51 119.28 1e3i h ILE 213 Ca 0.13 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1e3i h ILE 213 Cb 0.46 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1e3i h ILE 213 CO 0.02 0.21 0.10 1.23 0.00 0.00 0.00 178.15 179.71 1e3i h GLY 214 N 0.94 0.23 0.81 5.37 0.00 -0.01 -0.69 103.07 109.72 1e3i h GLY 214 Ca 0.25 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.53 1e3i h GLY 214 CO -0.05 0.09 0.51 0.00 0.00 0.00 0.00 176.54 177.09 1e3i h LYS 216 N 0.96 0.34 -0.55 0.00 1.63 -0.83 -0.98 116.57 117.13 1e3i h LYS 216 Ca 0.33 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 1e3i h LYS 216 Cb 0.07 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.63 1e3i h LYS 216 CO -0.14 0.41 0.23 0.82 -3.45 0.00 0.00 179.45 177.33 1e3i h ILE 217 N 0.19 1.20 0.00 2.00 5.03 -0.72 -0.89 117.51 124.31 1e3i h ILE 217 Ca 0.07 -0.60 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 1e3i h ILE 217 Cb 0.21 0.53 0.00 0.00 -3.03 0.00 0.00 36.82 34.52 1e3i h ILE 217 CO -0.00 0.24 0.00 0.00 -0.68 0.00 0.00 178.15 177.71 1e3i n ALA 218 N -2.45 1.78 -0.17 1.87 0.00 0.11 -4.89 120.51 116.76 1e3i n ALA 218 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1e3i n ALA 218 Cb 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1e3i n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e3i n GLY 219 N 0.26 0.91 3.69 0.00 0.00 -0.34 -3.23 105.19 106.48 1e3i n GLY 219 Ca 0.04 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1e3i n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e3i n ALA 220 N -1.50 1.12 0.40 4.61 0.00 -0.41 -0.48 120.51 124.25 1e3i n ALA 220 Ca 0.00 0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.83 1e3i n ALA 220 Cb 0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 19.45 17.20 1e3i n ALA 220 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1e3i n SER 221 N 0.36 0.58 -3.75 0.00 3.41 0.32 -4.72 113.62 109.82 1e3i n SER 221 Ca 0.07 -0.08 -0.13 0.00 -0.26 0.00 0.00 58.87 58.47 1e3i n SER 221 Cb 0.39 0.90 -0.14 0.00 -0.26 0.00 0.00 64.21 65.09 1e3i n SER 221 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1e3i s ARG 222 N -3.27 0.13 -0.25 4.33 3.52 -1.15 -5.03 118.95 117.23 1e3i s ARG 222 Ca 0.01 0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 56.01 1e3i s ARG 222 Cb 0.13 -0.15 0.07 0.00 -1.56 0.00 0.00 34.95 33.45 1e3i s ARG 222 CO 0.81 -0.16 0.02 0.42 -0.81 0.00 0.00 175.30 175.59 1e3i s ILE 223 N 1.12 1.06 -0.26 4.11 1.01 -1.26 -0.65 121.20 126.33 1e3i s ILE 223 Ca -0.09 -1.11 -0.18 0.00 0.00 0.00 0.00 60.65 59.27 1e3i s ILE 223 Cb -0.11 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1e3i s ILE 223 CO -0.06 -0.32 0.51 -0.63 0.00 0.00 0.00 174.94 174.44 1e3i s ILE 224 N 1.58 5.07 -0.24 2.92 1.01 0.00 -0.53 121.20 131.02 1e3i s ILE 224 Ca 0.01 0.89 -0.11 0.00 0.00 0.00 0.00 60.65 61.43 1e3i s ILE 224 Cb -0.18 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1e3i s ILE 224 CO -0.12 0.09 0.19 0.00 0.00 0.00 0.00 174.94 175.10 1e3i s ALA 225 N 2.25 3.59 -0.07 9.38 0.00 0.10 -0.54 121.76 136.47 1e3i s ALA 225 Ca 0.21 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.34 1e3i s ALA 225 Cb -0.16 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1e3i s ALA 225 CO 0.09 -0.26 -0.24 0.42 0.00 0.00 0.00 175.76 175.77 1e3i s ILE 226 N 1.20 2.02 -0.18 0.00 1.09 -0.45 -0.53 121.20 124.35 1e3i s ILE 226 Ca 0.09 -1.02 -0.28 0.00 -1.10 0.00 0.00 60.65 58.33 1e3i s ILE 226 Cb -0.14 -1.72 0.09 0.00 -1.06 0.00 0.00 42.46 39.63 1e3i s ILE 226 CO 0.06 0.56 0.83 -0.62 -0.10 0.00 0.00 174.94 175.66 1e3i s ASP 227 N 0.06 -0.58 0.00 3.58 -1.08 -0.89 -1.16 116.67 116.61 1e3i s ASP 227 Ca -0.10 0.86 0.30 0.00 -0.52 0.00 0.00 52.55 53.09 1e3i s ASP 227 Cb -0.15 0.79 1.48 0.00 -1.46 0.00 0.00 42.92 43.57 1e3i s ASP 227 CO 0.06 -0.37 2.00 2.30 0.52 0.00 0.00 175.17 179.68 1e3i n ILE 228 N 1.58 0.00 -3.76 4.11 -5.35 -1.26 -4.14 119.36 110.54 1e3i n ILE 228 Ca -0.14 -0.05 -0.36 0.00 -0.27 0.00 0.00 62.75 61.92 1e3i n ILE 228 Cb 0.56 -0.22 -0.11 0.00 -1.74 0.00 0.00 39.64 38.13 1e3i n ILE 228 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1e3i s ASN 229 N -2.27 5.20 0.65 7.28 3.84 -1.26 -4.85 114.94 123.53 1e3i s ASN 229 Ca 0.36 -2.40 0.33 0.00 0.21 0.00 0.00 52.86 51.36 1e3i s ASN 229 Cb 0.21 -1.83 1.83 0.00 -0.55 0.00 0.00 41.25 40.91 1e3i s ASN 229 CO 0.42 -0.46 2.06 1.23 -2.79 0.00 0.00 177.10 177.56 1e3i h GLY 230 N 7.57 0.00 2.00 1.21 0.00 -1.98 -1.03 103.07 110.85 1e3i h GLY 230 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1e3i h GLY 230 CO 0.70 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.42 1e3i n GLU 231 N -3.14 0.18 0.03 4.80 -0.58 -1.26 -2.13 120.64 118.54 1e3i n GLU 231 Ca -0.01 0.51 0.12 0.00 -0.42 0.00 0.00 57.16 57.37 1e3i n GLU 231 Cb 0.31 -1.92 0.29 0.00 -0.57 0.00 0.00 31.44 29.56 1e3i n GLU 231 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1e3i n LYS 232 N -2.27 0.14 -0.11 3.49 4.76 -0.39 -4.36 118.16 119.42 1e3i n LYS 232 Ca 0.01 0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.39 1e3i n LYS 232 Cb 0.16 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 31.72 1e3i n LYS 232 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1e3i h PHE 233 N 0.00 0.57 -0.76 2.13 0.04 -1.61 -2.89 116.94 114.42 1e3i h PHE 233 Ca 0.00 -0.09 0.17 0.00 2.80 0.00 0.00 57.97 60.85 1e3i h PHE 233 Cb 0.62 -0.15 -0.12 0.00 2.20 0.00 0.00 35.95 38.50 1e3i h PHE 233 CO 0.00 0.63 0.18 -1.35 -0.60 0.00 0.00 178.31 177.17 1e3i h PRO 234 N 0.35 0.25 -0.05 1.51 0.11 -1.79 0.15 132.00 132.54 1e3i h PRO 234 Ca 0.09 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.00 1e3i h PRO 234 Cb 0.38 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1e3i h PRO 234 CO 0.01 0.16 -0.77 -0.22 -0.21 0.00 0.00 178.00 176.97 1e3i h LYS 235 N 0.26 0.32 -0.58 1.05 3.64 -1.85 -1.45 116.57 117.95 1e3i h LYS 235 Ca 0.43 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1e3i h LYS 235 Cb 0.76 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1e3i h LYS 235 CO -0.54 0.94 0.33 0.00 -2.27 0.00 0.00 179.45 177.91 1e3i h ALA 236 N 0.97 0.74 -0.53 5.00 0.00 -0.87 -1.31 119.26 123.25 1e3i h ALA 236 Ca -0.04 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1e3i h ALA 236 Cb 1.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1e3i h ALA 236 CO 0.13 0.24 -0.12 0.87 0.00 0.00 0.00 179.25 180.37 1e3i h LYS 237 N 0.78 1.03 -0.11 0.00 1.57 -0.69 -1.17 116.57 117.98 1e3i h LYS 237 Ca 0.20 -0.39 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1e3i h LYS 237 Cb 0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1e3i h LYS 237 CO -0.03 1.08 0.08 0.00 -0.57 0.00 0.00 179.45 180.00 1e3i h ALA 238 N 0.92 2.01 -0.17 3.86 0.00 -0.79 -1.95 119.26 123.14 1e3i h ALA 238 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1e3i h ALA 238 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1e3i h ALA 238 CO 0.05 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.44 1e3i n LEU 239 N -4.37 2.60 0.00 0.00 4.77 -0.54 -4.95 117.00 114.52 1e3i n LEU 239 Ca -0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 1e3i n LEU 239 Cb 0.20 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1e3i n LEU 239 CO 0.33 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1e3i n GLY 240 N 1.32 1.47 3.67 -0.72 0.00 -0.73 -4.39 105.19 105.81 1e3i n GLY 240 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 1e3i n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e3i n ALA 241 N 0.00 1.28 -0.02 4.61 0.00 -0.48 -4.65 120.51 121.25 1e3i n ALA 241 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1e3i n ALA 241 Cb 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 19.45 16.98 1e3i n ALA 241 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1e3i n THR 242 N 3.20 0.88 -3.98 0.00 -2.24 0.31 -4.53 114.28 107.92 1e3i n THR 242 Ca 0.16 -0.68 -0.11 0.00 -2.27 0.00 0.00 64.05 61.15 1e3i n THR 242 Cb 0.29 -0.42 -0.12 0.00 -2.10 0.00 0.00 70.33 67.98 1e3i n THR 242 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1e3i s ASP 243 N -5.30 0.30 -0.05 3.42 1.11 -1.10 -4.98 116.67 110.07 1e3i s ASP 243 Ca -0.07 -0.35 0.03 0.00 0.18 0.00 0.00 52.55 52.34 1e3i s ASP 243 Cb 0.09 0.05 0.01 0.00 1.07 0.00 0.00 42.92 44.15 1e3i s ASP 243 CO 0.85 -0.18 -0.12 0.00 1.18 0.00 0.00 175.17 176.89 1e3i s LEU 245 N 0.48 1.64 -0.33 0.00 1.43 0.31 -4.96 118.68 117.25 1e3i s LEU 245 Ca -0.10 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1e3i s LEU 245 Cb -0.14 -0.68 0.05 0.00 0.03 0.00 0.00 46.19 45.45 1e3i s LEU 245 CO 0.03 0.03 0.07 0.21 0.23 0.00 0.00 176.35 176.93 1e3i s ASN 246 N 0.53 5.14 0.46 2.29 3.84 -1.26 -2.08 114.94 123.86 1e3i s ASN 246 Ca -0.10 -1.28 0.24 0.00 0.21 0.00 0.00 52.86 51.92 1e3i s ASN 246 Cb -0.13 -1.80 1.24 0.00 -0.55 0.00 0.00 41.25 40.01 1e3i s ASN 246 CO 0.02 -0.32 1.83 -0.65 -2.79 0.00 0.00 177.10 175.19 1e3i h PRO 247 N 8.12 0.25 0.00 0.43 0.11 -1.93 0.21 132.00 139.18 1e3i h PRO 247 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1e3i h PRO 247 Cb 1.07 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1e3i h PRO 247 CO 0.59 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 1e3i h ARG 248 N 0.26 0.00 -0.31 1.05 2.47 -1.88 -2.74 114.38 113.23 1e3i h ARG 248 Ca 0.51 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.23 1e3i h ARG 248 Cb 1.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.86 1e3i h ARG 248 CO -0.15 0.00 0.00 0.39 0.56 0.00 0.00 179.97 180.77 1e3i n GLU 249 N -2.87 2.89 -4.81 0.04 1.02 0.73 -4.96 120.64 112.68 1e3i n GLU 249 Ca -0.00 -2.31 -0.33 0.00 -0.02 0.00 0.00 57.16 54.50 1e3i n GLU 249 Cb 0.21 -1.46 -0.13 0.00 -0.02 0.00 0.00 31.44 30.04 1e3i n GLU 249 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1e3i s LEU 250 N -1.63 2.77 0.25 -4.62 1.02 -1.03 -4.99 118.68 110.45 1e3i s LEU 250 Ca 0.29 -0.24 0.25 0.00 0.02 0.00 0.00 54.13 54.46 1e3i s LEU 250 Cb 0.19 -1.59 0.71 0.00 0.02 0.00 0.00 46.19 45.52 1e3i s LEU 250 CO 0.13 0.26 1.74 0.44 0.02 0.00 0.00 176.35 178.94 1e3i h ASP 251 N 5.96 0.00 -2.89 2.29 3.32 -1.93 -3.45 116.42 119.73 1e3i h ASP 251 Ca -0.37 -0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.07 1e3i h ASP 251 Cb 1.18 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.62 1e3i h ASP 251 CO 0.53 0.00 -0.67 -0.54 -1.72 0.00 0.00 179.24 176.85 1e3i s LYS 252 N -3.12 2.37 0.29 3.56 1.02 -1.26 -5.07 119.74 117.52 1e3i s LYS 252 Ca 0.10 -1.12 -0.30 0.00 0.02 0.00 0.00 55.97 54.67 1e3i s LYS 252 Cb 0.11 -2.34 -0.13 0.00 -0.52 0.00 0.00 37.83 34.95 1e3i s LYS 252 CO 0.61 0.45 1.35 -2.30 -0.92 0.00 0.00 175.35 174.54 1e3i n PRO 253 N -0.10 2.07 -0.21 -1.68 -0.02 -1.26 -4.80 135.00 128.99 1e3i n PRO 253 Ca -0.10 0.73 0.23 0.00 -2.02 0.00 0.00 63.50 62.35 1e3i n PRO 253 Cb 0.55 -2.35 0.61 0.00 -0.02 0.00 0.00 33.50 32.29 1e3i n PRO 253 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1e3i h VAL 254 N 2.80 0.62 -0.19 -1.45 3.04 -1.92 -0.46 116.25 118.68 1e3i h VAL 254 Ca -0.45 -0.07 -0.07 0.00 -1.01 0.00 0.00 66.70 65.09 1e3i h VAL 254 Cb 1.28 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 1e3i h VAL 254 CO 0.70 0.04 -0.19 0.06 -1.01 0.00 0.00 177.57 177.16 1e3i h GLN 255 N 0.22 0.32 -0.15 4.17 -0.00 -1.88 -0.97 115.11 116.82 1e3i h GLN 255 Ca 0.45 -0.09 -0.17 0.00 -0.00 0.00 0.00 58.65 58.84 1e3i h GLN 255 Cb 1.41 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.85 1e3i h GLN 255 CO -0.11 0.51 -0.60 -0.44 -0.00 0.00 0.00 178.83 178.20 1e3i h ASP 256 N 0.29 0.57 -0.48 0.06 3.32 -1.43 -0.81 116.42 117.95 1e3i h ASP 256 Ca 0.05 -0.32 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 1e3i h ASP 256 Cb 0.51 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1e3i h ASP 256 CO 0.03 1.04 0.03 0.58 -1.72 0.00 0.00 179.24 179.20 1e3i h VAL 257 N 0.38 1.26 -0.41 -1.35 2.07 -1.24 -0.34 116.25 116.62 1e3i h VAL 257 Ca -0.00 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1e3i h VAL 257 Cb 1.14 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1e3i h VAL 257 CO 0.11 0.35 0.18 0.40 0.02 0.00 0.00 177.57 178.63 1e3i h ILE 258 N 0.68 1.19 -0.51 4.57 2.04 -1.07 0.40 117.51 124.82 1e3i h ILE 258 Ca 0.14 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1e3i h ILE 258 Cb 0.46 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1e3i h ILE 258 CO 0.02 0.20 0.32 0.74 0.00 0.00 0.00 178.15 179.43 1e3i h THR 259 N 0.52 1.09 -0.43 -0.27 2.02 -0.92 -1.73 112.91 113.18 1e3i h THR 259 Ca 0.14 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 1e3i h THR 259 Cb 0.15 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1e3i h THR 259 CO -0.01 0.12 -0.26 -0.33 0.37 0.00 0.00 175.52 175.40 1e3i h GLU 260 N 0.64 0.91 0.00 6.66 5.08 -0.83 0.27 114.58 127.31 1e3i h GLU 260 Ca 0.20 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1e3i h GLU 260 Cb -0.03 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1e3i h GLU 260 CO -0.07 1.06 -0.08 1.25 -1.00 0.00 0.00 179.01 180.17 1e3i h LEU 261 N 0.77 0.00 -1.51 1.33 5.85 -0.67 -2.91 115.31 118.18 1e3i h LEU 261 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1e3i h LEU 261 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1e3i h LEU 261 CO 0.07 0.08 0.00 0.35 -0.34 0.00 0.00 178.44 178.60 1e3i n THR 262 N -3.26 0.13 -3.56 1.05 -2.24 -0.67 -5.02 114.28 100.71 1e3i n THR 262 Ca -0.00 -0.57 -0.20 0.00 -2.27 0.00 0.00 64.05 61.01 1e3i n THR 262 Cb 0.31 1.07 0.06 0.00 -2.10 0.00 0.00 70.33 69.66 1e3i n THR 262 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e3i n ALA 263 N 0.38 -2.10 0.00 6.98 0.00 0.66 -4.17 120.51 122.26 1e3i n ALA 263 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1e3i n ALA 263 Cb 0.21 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.03 1e3i n ALA 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e3i n GLY 264 N -1.40 1.07 0.00 0.00 0.00 0.43 -5.02 105.19 100.26 1e3i n GLY 264 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1e3i n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1e3i n GLY 265 N 0.00 0.20 3.92 -0.02 0.00 -1.23 -3.86 105.19 104.20 1e3i n GLY 265 Ca 0.00 -2.30 -0.21 0.00 0.00 0.00 0.00 46.02 43.51 1e3i n GLY 265 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1e3i s VAL 266 N -1.00 4.69 0.09 1.61 -7.23 0.17 -4.48 120.40 114.26 1e3i s VAL 266 Ca 0.00 -1.15 -0.12 0.00 -1.81 0.00 0.00 61.98 58.90 1e3i s VAL 266 Cb 0.00 -3.60 -0.20 0.00 0.56 0.00 0.00 36.38 33.14 1e3i s VAL 266 CO 0.00 -0.30 1.25 0.44 -0.31 0.00 0.00 175.10 176.18 1e3i h ASP 267 N 1.23 0.86 -3.60 4.85 3.32 -1.35 0.59 116.42 122.32 1e3i h ASP 267 Ca -0.49 -0.64 -0.41 0.00 0.02 0.00 0.00 57.03 55.50 1e3i h ASP 267 Cb 1.24 -0.26 -0.32 0.00 0.22 0.00 0.00 39.33 40.21 1e3i h ASP 267 CO 0.59 1.44 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.47 1e3i s TYR 268 N -3.45 0.79 0.06 4.55 2.02 -0.71 -1.28 117.35 119.34 1e3i s TYR 268 Ca -0.09 -0.21 0.09 0.00 -0.37 0.00 0.00 57.07 56.48 1e3i s TYR 268 Cb 0.08 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.97 1e3i s TYR 268 CO 0.91 -0.15 -0.24 -1.54 -1.57 0.00 0.00 175.55 172.96 1e3i s SER 269 N 0.58 2.85 -0.14 2.29 1.04 -0.05 -0.33 113.70 119.95 1e3i s SER 269 Ca -0.08 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 1e3i s SER 269 Cb -0.12 -0.23 0.04 0.00 0.10 0.00 0.00 66.02 65.81 1e3i s SER 269 CO 0.00 0.19 -0.02 -0.76 0.98 0.00 0.00 173.24 173.63 1e3i s LEU 270 N -1.42 1.13 -0.51 2.42 1.43 0.77 -1.04 118.68 121.46 1e3i s LEU 270 Ca 0.10 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.51 1e3i s LEU 270 Cb -0.10 -0.68 0.05 0.00 0.03 0.00 0.00 46.19 45.49 1e3i s LEU 270 CO 0.03 -0.21 0.74 -0.62 0.23 0.00 0.00 176.35 176.51 1e3i s ASP 271 N 1.81 6.28 -0.26 2.29 -1.08 -0.58 -0.88 116.67 124.25 1e3i s ASP 271 Ca 0.02 -0.61 0.12 0.00 -0.52 0.00 0.00 52.55 51.56 1e3i s ASP 271 Cb -0.14 -2.35 0.55 0.00 -1.46 0.00 0.00 42.92 39.52 1e3i s ASP 271 CO -0.07 -0.98 1.51 0.00 0.52 0.00 0.00 175.17 176.15 1e3i n ALA 273 N -0.78 2.67 -0.80 0.00 0.00 -0.94 -4.55 120.51 116.11 1e3i n ALA 273 Ca 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1e3i n ALA 273 Cb 1.05 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.69 1e3i n ALA 273 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e3i n GLY 274 N 3.20 0.90 3.96 0.00 0.00 -1.25 -4.17 105.19 107.82 1e3i n GLY 274 Ca -0.02 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1e3i n GLY 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1e3i s THR 275 N -2.00 4.24 0.42 2.61 -4.23 -1.26 0.57 115.64 115.99 1e3i s THR 275 Ca 0.00 -0.56 0.14 0.00 -1.18 0.00 0.00 61.69 60.09 1e3i s THR 275 Cb 0.00 -3.55 0.34 0.00 1.34 0.00 0.00 72.50 70.63 1e3i s THR 275 CO 0.00 -0.35 1.94 0.00 -0.54 0.00 0.00 174.62 175.66 1e3i h ALA 276 N 0.54 2.05 -0.08 3.99 0.00 -1.96 -0.47 119.26 123.32 1e3i h ALA 276 Ca -0.47 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1e3i h ALA 276 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1e3i h ALA 276 CO 0.57 -0.23 -0.21 1.96 0.00 0.00 0.00 179.25 181.35 1e3i h GLN 277 N 0.45 0.29 -0.37 0.00 4.20 -1.99 -2.37 115.11 115.33 1e3i h GLN 277 Ca 0.34 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 1e3i h GLN 277 Cb 0.72 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1e3i h GLN 277 CO -0.11 0.81 -0.03 1.79 -0.67 0.00 0.00 178.83 180.62 1e3i h THR 278 N -0.18 1.27 -0.95 -0.54 1.35 -1.81 0.12 112.91 112.17 1e3i h THR 278 Ca -0.00 -1.06 0.07 0.00 -0.55 0.00 0.00 66.41 64.87 1e3i h THR 278 Cb 0.81 1.21 -0.06 0.00 -1.73 0.00 0.00 68.15 68.38 1e3i h THR 278 CO 0.05 0.35 0.61 -0.07 -0.25 0.00 0.00 175.52 176.21 1e3i h LEU 279 N 0.48 0.95 -0.16 3.87 3.38 -1.17 1.34 115.31 124.00 1e3i h LEU 279 Ca 0.10 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1e3i h LEU 279 Cb 0.52 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1e3i h LEU 279 CO 0.03 0.59 -0.29 0.50 0.09 0.00 0.00 178.44 179.36 1e3i h LYS 280 N 1.07 0.48 -0.65 1.13 1.63 -1.16 -3.04 116.57 116.02 1e3i h LYS 280 Ca 0.42 -0.30 -0.09 0.00 -0.85 0.00 0.00 60.65 59.83 1e3i h LYS 280 Cb 0.23 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1e3i h LYS 280 CO -0.17 0.90 0.07 0.00 -3.45 0.00 0.00 179.45 176.80 1e3i h ALA 281 N 0.57 0.86 -0.88 5.00 0.00 0.18 -1.85 119.26 123.14 1e3i h ALA 281 Ca 0.01 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.74 1e3i h ALA 281 Cb 0.87 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1e3i h ALA 281 CO 0.06 0.66 0.57 0.00 0.00 0.00 0.00 179.25 180.54 1e3i h ALA 282 N 1.02 1.71 0.02 0.00 0.00 0.17 -0.87 119.26 121.32 1e3i h ALA 282 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1e3i h ALA 282 Cb 0.49 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1e3i h ALA 282 CO 0.02 0.09 -0.14 0.28 0.00 0.00 0.00 179.25 179.49 1e3i h VAL 283 N 0.80 1.71 -0.96 0.00 2.07 -1.40 -3.36 116.25 115.11 1e3i h VAL 283 Ca 0.42 -2.28 0.12 0.00 0.82 0.00 0.00 66.70 65.78 1e3i h VAL 283 Cb 0.51 3.25 -0.08 0.00 -1.52 0.00 0.00 31.29 33.45 1e3i h VAL 283 CO -0.18 0.60 0.61 0.44 0.02 0.00 0.00 177.57 179.06 1e3i h ASP 284 N -0.83 0.85 0.30 0.57 3.32 -1.01 -2.61 116.42 117.00 1e3i h ASP 284 Ca -0.02 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1e3i h ASP 284 Cb 1.07 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1e3i h ASP 284 CO 0.03 0.46 0.00 0.00 -1.72 0.00 0.00 179.24 178.01 1e3i s THR 286 N -2.36 4.81 0.72 0.00 -4.23 -0.99 -0.65 115.64 112.94 1e3i s THR 286 Ca 0.29 0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 61.25 1e3i s THR 286 Cb 0.17 -3.73 0.03 0.00 1.34 0.00 0.00 72.50 70.31 1e3i s THR 286 CO 0.35 -0.50 1.11 0.68 -0.54 0.00 0.00 174.62 175.72 1e3i s VAL 287 N -2.35 3.15 0.69 2.29 -7.23 0.20 -4.62 120.40 112.53 1e3i s VAL 287 Ca 0.51 0.46 -0.11 0.00 -1.81 0.00 0.00 61.98 61.02 1e3i s VAL 287 Cb -0.10 -2.94 0.01 0.00 0.56 0.00 0.00 36.38 33.91 1e3i s VAL 287 CO 0.31 -0.40 1.08 -0.76 -0.31 0.00 0.00 175.10 175.02 1e3i s LEU 288 N -5.41 2.94 0.00 1.32 1.43 -1.26 -1.38 118.68 116.31 1e3i s LEU 288 Ca 0.65 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 1e3i s LEU 288 Cb -0.20 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1e3i s LEU 288 CO 0.49 -1.30 0.00 0.61 0.23 0.00 0.00 176.35 176.38 1e3i n GLY 289 N -2.96 2.17 0.02 -3.19 0.00 0.67 -4.26 105.19 97.65 1e3i n GLY 289 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1e3i n GLY 289 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1e3i n TRP 290 N 0.00 0.00 -1.64 1.61 2.14 -1.17 -4.47 117.44 113.91 1e3i n TRP 290 Ca 0.00 0.00 -0.47 0.00 2.07 0.00 0.00 57.50 59.10 1e3i n TRP 290 Cb 0.00 0.04 -0.04 0.00 -0.81 0.00 0.00 31.31 30.50 1e3i n TRP 290 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1e3i n GLY 291 N 0.00 0.66 3.10 -1.67 0.00 -0.48 -4.78 105.19 102.01 1e3i n GLY 291 Ca 0.00 0.58 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 1e3i n GLY 291 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1e3i s SER 292 N 0.41 2.87 -0.19 1.61 0.15 -0.40 -0.83 113.70 117.32 1e3i s SER 292 Ca 0.74 -0.55 -0.05 0.00 0.70 0.00 0.00 55.95 56.79 1e3i s SER 292 Cb -0.75 -1.32 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 1e3i s SER 292 CO 0.47 0.01 -0.00 0.00 1.20 0.00 0.00 173.24 174.92 1e3i s THR 294 N 0.76 2.77 -0.17 0.00 2.01 -0.21 -1.40 115.64 119.41 1e3i s THR 294 Ca 0.00 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 1e3i s THR 294 Cb -0.14 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.00 1e3i s THR 294 CO 0.02 0.27 1.12 -0.69 -0.69 0.00 0.00 174.62 174.65 1e3i s VAL 295 N 1.33 4.52 0.01 3.82 1.01 0.62 -1.53 120.40 130.18 1e3i s VAL 295 Ca 0.01 1.83 -0.03 0.00 0.00 0.00 0.00 61.98 63.79 1e3i s VAL 295 Cb -0.16 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1e3i s VAL 295 CO -0.06 -0.12 -0.07 0.52 0.00 0.00 0.00 175.10 175.37 1e3i n VAL 296 N 5.16 0.88 -3.45 2.92 0.31 -0.23 -1.72 118.33 122.20 1e3i n VAL 296 Ca 0.12 0.18 -0.29 0.00 -0.01 0.00 0.00 64.34 64.34 1e3i n VAL 296 Cb 0.46 -1.67 -0.04 0.00 -0.91 0.00 0.00 33.84 31.68 1e3i n VAL 296 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1e3i s GLY 297 N -4.55 1.98 -0.26 2.92 0.00 0.58 -4.89 107.32 103.10 1e3i s GLY 297 Ca -0.06 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 1e3i s GLY 297 CO 0.09 -0.45 0.44 0.00 0.00 0.00 0.00 173.10 173.18 1e3i s ALA 298 N -1.94 -1.41 -0.91 3.20 0.00 -1.26 -3.82 121.76 115.61 1e3i s ALA 298 Ca 0.43 1.10 0.22 0.00 0.00 0.00 0.00 51.96 53.71 1e3i s ALA 298 Cb -0.11 -1.84 -0.14 0.00 0.00 0.00 0.00 23.12 21.02 1e3i s ALA 298 CO 0.27 -1.32 0.93 1.63 0.00 0.00 0.00 175.76 177.27 1e3i n LYS 299 N 5.38 0.06 -4.36 0.00 5.02 0.19 -4.93 118.16 119.52 1e3i n LYS 299 Ca -0.02 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.03 1e3i n LYS 299 Cb 0.50 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 1e3i n LYS 299 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1e3i s VAL 300 N -3.05 1.97 -0.21 -0.18 -7.23 -1.20 -5.01 120.40 105.48 1e3i s VAL 300 Ca 0.07 -2.03 0.20 0.00 -1.81 0.00 0.00 61.98 58.41 1e3i s VAL 300 Cb 0.16 -1.96 0.20 0.00 0.56 0.00 0.00 36.38 35.33 1e3i s VAL 300 CO 0.85 -0.33 1.58 0.44 -0.31 0.00 0.00 175.10 177.33 1e3i h ASP 301 N 3.05 0.00 -3.87 4.85 3.32 -1.95 -3.47 116.42 118.35 1e3i h ASP 301 Ca -0.42 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.27 1e3i h ASP 301 Cb 1.21 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.62 1e3i h ASP 301 CO 0.53 0.27 -0.68 -1.61 -1.72 0.00 0.00 179.24 176.02 1e3i s GLU 302 N -3.17 1.22 -0.01 3.56 2.02 -1.26 -5.15 118.70 115.92 1e3i s GLU 302 Ca 0.04 -1.58 -0.00 0.00 0.02 0.00 0.00 54.97 53.46 1e3i s GLU 302 Cb 0.07 -0.65 0.01 0.00 0.10 0.00 0.00 34.13 33.67 1e3i s GLU 302 CO 0.70 -0.01 0.02 0.00 0.02 0.00 0.00 175.26 175.98 1e3i s MET 303 N -3.80 -0.02 -0.29 1.61 0.23 -1.26 -4.93 119.30 110.84 1e3i s MET 303 Ca 0.23 0.09 -0.11 0.00 -1.03 0.00 0.00 55.69 54.87 1e3i s MET 303 Cb 0.04 -0.11 -0.04 0.00 -1.53 0.00 0.00 34.83 33.20 1e3i s MET 303 CO 0.05 -0.07 0.17 0.99 -2.03 0.00 0.00 175.02 174.13 1e3i s THR 304 N 0.47 5.06 -0.19 3.16 2.01 -1.26 -5.07 115.64 119.81 1e3i s THR 304 Ca -0.04 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 1e3i s THR 304 Cb -0.06 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.98 1e3i s THR 304 CO -0.01 0.20 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.44 1e3i s ILE 305 N 1.71 3.50 0.35 1.82 1.01 -1.26 -4.93 121.20 123.41 1e3i s ILE 305 Ca 0.06 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 59.96 1e3i s ILE 305 Cb -0.16 -2.57 -0.11 0.00 0.01 0.00 0.00 42.46 39.64 1e3i s ILE 305 CO 0.09 0.45 1.41 -2.84 0.00 0.00 0.00 174.94 174.04 1e3i s PRO 306 N 1.07 4.22 0.27 2.79 0.02 -1.26 -4.88 135.00 137.23 1e3i s PRO 306 Ca 0.01 2.41 -0.05 0.00 0.02 0.00 0.00 61.00 63.39 1e3i s PRO 306 Cb -0.15 -3.02 0.32 0.00 0.02 0.00 0.00 34.50 31.68 1e3i s PRO 306 CO -0.00 -0.38 1.93 1.79 -0.33 0.00 0.00 177.00 180.01 1e3i h THR 307 N 3.02 1.24 -0.80 0.99 1.35 -2.01 -2.66 112.91 114.04 1e3i h THR 307 Ca -0.50 -0.49 0.01 0.00 -0.55 0.00 0.00 66.41 64.88 1e3i h THR 307 Cb 1.23 -0.06 -0.04 0.00 -1.73 0.00 0.00 68.15 67.55 1e3i h THR 307 CO 0.65 0.24 0.53 1.62 -0.25 0.00 0.00 175.52 178.31 1e3i h VAL 308 N 1.24 1.21 -0.12 6.82 3.04 -1.99 -2.35 116.25 124.09 1e3i h VAL 308 Ca 0.33 -0.38 0.03 0.00 -1.01 0.00 0.00 66.70 65.67 1e3i h VAL 308 Cb -0.10 0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 29.18 1e3i h VAL 308 CO -0.07 0.20 -0.08 0.44 -1.01 0.00 0.00 177.57 177.05 1e3i h ASP 309 N 1.08 -0.26 -0.73 3.17 3.32 -1.85 0.49 116.42 121.64 1e3i h ASP 309 Ca 0.29 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 1e3i h ASP 309 Cb -0.12 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1e3i h ASP 309 CO -0.06 -0.11 0.22 0.58 -1.72 0.00 0.00 179.24 178.14 1e3i h VAL 310 N -0.08 1.26 -0.40 -1.35 2.07 -1.57 -2.03 116.25 114.14 1e3i h VAL 310 Ca 0.08 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 1e3i h VAL 310 Cb 0.20 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1e3i h VAL 310 CO -0.18 0.36 0.05 0.40 0.02 0.00 0.00 177.57 178.23 1e3i h ILE 311 N 1.10 1.20 -0.17 4.57 2.04 -0.97 -2.53 117.51 122.74 1e3i h ILE 311 Ca 0.24 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1e3i h ILE 311 Cb 0.32 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1e3i h ILE 311 CO -0.01 0.27 0.00 0.18 0.00 0.00 0.00 178.15 178.59 1e3i n LEU 312 N -4.29 2.12 0.00 1.44 4.77 0.12 -4.89 117.00 116.28 1e3i n LEU 312 Ca 0.02 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1e3i n LEU 312 Cb 0.23 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1e3i n LEU 312 CO 0.39 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1e3i n GLY 313 N 0.28 0.31 3.79 -0.72 0.00 -0.95 -0.24 105.19 107.66 1e3i n GLY 313 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1e3i n GLY 313 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e3i s ARG 314 N -0.87 4.52 0.17 1.61 0.52 -0.81 -3.06 118.95 121.04 1e3i s ARG 314 Ca 0.00 1.19 0.09 0.00 -0.52 0.00 0.00 55.73 56.49 1e3i s ARG 314 Cb 0.00 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 1e3i s ARG 314 CO 0.00 0.38 -0.19 -1.54 0.02 0.00 0.00 175.30 173.98 1e3i s SER 315 N -1.51 2.79 -0.03 0.23 1.04 -0.01 -4.22 113.70 112.00 1e3i s SER 315 Ca 0.45 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 56.02 1e3i s SER 315 Cb -0.20 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.76 1e3i s SER 315 CO 0.24 -0.02 -0.07 -0.63 0.98 0.00 0.00 173.24 173.74 1e3i s ILE 316 N -2.06 0.65 0.35 -1.02 1.09 -1.26 -1.32 121.20 117.63 1e3i s ILE 316 Ca 0.17 -0.27 0.01 0.00 -1.10 0.00 0.00 60.65 59.47 1e3i s ILE 316 Cb -0.06 -0.61 -0.00 0.00 -1.06 0.00 0.00 42.46 40.73 1e3i s ILE 316 CO 0.07 0.22 0.43 -0.46 -0.10 0.00 0.00 174.94 175.10 1e3i n ASN 317 N 3.48 -1.17 -3.94 3.58 0.23 -0.49 -4.99 115.26 111.96 1e3i n ASN 317 Ca -0.20 -3.00 -0.09 0.00 -0.53 0.00 0.00 54.58 50.76 1e3i n ASN 317 Cb 0.54 2.29 -0.08 0.00 -2.08 0.00 0.00 39.78 40.45 1e3i n ASN 317 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1e3i s GLY 318 N -3.24 0.29 0.20 4.83 0.00 -1.26 -0.27 107.32 107.87 1e3i s GLY 318 Ca 0.33 -0.84 0.09 0.00 0.00 0.00 0.00 44.72 44.29 1e3i s GLY 318 CO 0.23 -0.96 -0.07 -1.08 0.00 0.00 0.00 173.10 171.22 1e3i s THR 319 N -3.90 3.27 -0.19 0.90 -1.32 -0.70 -4.89 115.64 108.80 1e3i s THR 319 Ca 0.09 -1.72 -0.03 0.00 -1.21 0.00 0.00 61.69 58.82 1e3i s THR 319 Cb 0.05 -2.65 0.06 0.00 -1.51 0.00 0.00 72.50 68.45 1e3i s THR 319 CO -0.08 -0.17 0.03 0.12 -2.21 0.00 0.00 174.62 172.30 1e3i s PHE 320 N -1.86 1.06 -1.40 9.09 5.36 -1.26 -4.78 117.98 124.18 1e3i s PHE 320 Ca 0.27 -0.87 -0.05 0.00 -0.96 0.00 0.00 56.93 55.31 1e3i s PHE 320 Cb -0.08 -1.04 0.03 0.00 -0.34 0.00 0.00 43.02 41.59 1e3i s PHE 320 CO 0.16 -0.61 0.78 0.34 -1.46 0.00 0.00 175.22 174.44 1e3i n PHE 321 N 5.04 -2.03 -1.18 10.12 7.35 -1.26 -1.39 117.46 134.11 1e3i n PHE 321 Ca -0.09 0.86 -0.09 0.00 -0.76 0.00 0.00 57.45 57.36 1e3i n PHE 321 Cb 0.47 -4.17 -0.04 0.00 0.35 0.00 0.00 39.48 36.09 1e3i n PHE 321 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1e3i n GLY 322 N -1.65 0.89 2.49 7.13 0.00 -1.23 -2.06 105.19 110.75 1e3i n GLY 322 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1e3i n GLY 322 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1e3i n GLY 323 N 0.16 0.34 3.75 -0.02 0.00 -0.48 -3.62 105.19 105.32 1e3i n GLY 323 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1e3i n GLY 323 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1e3i s TRP 324 N -1.76 3.90 -0.79 1.61 0.52 -0.88 -4.64 118.94 116.91 1e3i s TRP 324 Ca 0.00 1.86 -0.26 0.00 0.02 0.00 0.00 56.10 57.73 1e3i s TRP 324 Cb 0.00 -3.04 0.01 0.00 -1.15 0.00 0.00 33.47 29.29 1e3i s TRP 324 CO 0.00 0.26 1.55 0.15 0.02 0.00 0.00 176.95 178.93 1e3i s LYS 325 N -1.01 3.04 0.02 4.98 -0.14 -1.26 -4.85 119.74 120.54 1e3i s LYS 325 Ca 0.43 -0.21 -0.05 0.00 -1.36 0.00 0.00 55.97 54.78 1e3i s LYS 325 Cb -0.26 -4.60 -0.01 0.00 -1.68 0.00 0.00 37.83 31.28 1e3i s LYS 325 CO 0.33 -2.47 0.97 -1.13 -0.76 0.00 0.00 175.35 172.28 1e3i n SER 326 N 10.75 -0.16 -0.32 2.83 3.41 -1.26 0.45 113.62 129.32 1e3i n SER 326 Ca 0.19 1.00 0.06 0.00 -0.26 0.00 0.00 58.87 59.85 1e3i n SER 326 Cb 0.50 -0.40 0.21 0.00 -0.26 0.00 0.00 64.21 64.26 1e3i n SER 326 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1e3i h VAL 327 N 0.00 0.87 0.10 -3.33 2.07 -1.87 0.70 116.25 114.80 1e3i h VAL 327 Ca 0.02 -0.29 -0.26 0.00 0.82 0.00 0.00 66.70 67.00 1e3i h VAL 327 Cb 0.06 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1e3i h VAL 327 CO -0.14 0.15 -1.19 0.44 0.02 0.00 0.00 177.57 176.86 1e3i h ASP 328 N 0.83 0.40 0.19 0.57 3.32 -1.83 -3.39 116.42 116.51 1e3i h ASP 328 Ca 0.45 -0.41 -0.31 0.00 0.02 0.00 0.00 57.03 56.78 1e3i h ASP 328 Cb 0.48 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.92 1e3i h ASP 328 CO -0.28 1.31 -1.45 0.28 -1.72 0.00 0.00 179.24 177.37 1e3i h SER 329 N 0.08 0.63 -0.58 6.45 0.02 0.38 -3.39 113.55 117.15 1e3i h SER 329 Ca -0.12 -0.92 0.12 0.00 -0.84 0.00 0.00 61.79 60.03 1e3i h SER 329 Cb 1.91 -0.21 -0.10 0.00 0.14 0.00 0.00 62.40 64.14 1e3i h SER 329 CO 0.19 1.67 -0.06 0.58 -1.14 0.00 0.00 176.83 178.07 1e3i h VAL 330 N -0.03 0.48 -0.70 2.27 2.07 -1.06 0.21 116.25 119.49 1e3i h VAL 330 Ca -0.28 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1e3i h VAL 330 Cb 1.99 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 1e3i h VAL 330 CO 0.19 0.01 0.46 -0.65 0.02 0.00 0.00 177.57 177.60 1e3i h PRO 331 N 0.06 0.60 -0.24 1.57 0.11 -1.77 -1.96 132.00 130.36 1e3i h PRO 331 Ca 0.29 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.23 1e3i h PRO 331 Cb 0.46 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1e3i h PRO 331 CO -0.54 0.39 -0.41 -0.91 -0.21 0.00 0.00 178.00 176.32 1e3i h ASN 332 N 0.61 0.62 -0.42 -2.05 2.35 -1.17 -2.54 115.58 112.99 1e3i h ASN 332 Ca 0.32 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1e3i h ASN 332 Cb 0.43 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1e3i h ASN 332 CO -0.11 0.96 0.02 -0.07 -1.65 0.00 0.00 177.43 176.58 1e3i h LEU 333 N 0.48 0.77 -0.40 1.61 3.38 -0.66 -1.06 115.31 119.43 1e3i h LEU 333 Ca 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1e3i h LEU 333 Cb 0.92 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1e3i h LEU 333 CO 0.08 0.83 0.13 0.58 0.09 0.00 0.00 178.44 180.15 1e3i h VAL 334 N 0.75 1.21 -0.68 1.22 2.07 -1.31 -2.12 116.25 117.39 1e3i h VAL 334 Ca 0.15 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1e3i h VAL 334 Cb 0.43 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1e3i h VAL 334 CO 0.02 0.24 0.45 0.28 0.02 0.00 0.00 177.57 178.57 1e3i h SER 335 N 0.50 0.76 -0.76 0.57 0.02 -1.05 -0.29 113.55 113.30 1e3i h SER 335 Ca 0.13 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1e3i h SER 335 Cb 0.24 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1e3i h SER 335 CO -0.01 0.55 0.50 0.44 -1.14 0.00 0.00 176.83 177.17 1e3i h ASP 336 N 0.90 0.87 -0.37 3.07 3.32 -0.93 0.15 116.42 123.43 1e3i h ASP 336 Ca 0.26 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 1e3i h ASP 336 Cb -0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1e3i h ASP 336 CO -0.07 0.63 -0.26 0.22 -1.72 0.00 0.00 179.24 178.04 1e3i h TYR 337 N 1.03 0.99 -0.81 4.55 3.20 -0.71 0.55 116.97 125.77 1e3i h TYR 337 Ca 0.28 -0.27 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1e3i h TYR 337 Cb -0.12 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 37.88 1e3i h TYR 337 CO 0.00 1.05 0.51 -0.22 -1.64 0.00 0.00 178.16 177.86 1e3i h LYS 338 N 0.64 0.94 -0.01 1.82 3.64 0.06 0.69 116.57 124.34 1e3i h LYS 338 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1e3i h LYS 338 Cb 0.84 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1e3i h LYS 338 CO 0.07 0.62 0.00 0.09 -2.27 0.00 0.00 179.45 177.96 1e3i n ASN 339 N -4.61 0.12 -1.97 4.20 3.02 0.43 -4.89 115.26 111.56 1e3i n ASN 339 Ca 0.10 -1.51 -0.16 0.00 -0.03 0.00 0.00 54.58 52.98 1e3i n ASN 339 Cb 0.12 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.29 1e3i n ASN 339 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1e3i n LYS 340 N -0.67 -2.33 0.22 3.52 4.76 0.23 -4.88 118.16 119.02 1e3i n LYS 340 Ca 0.12 0.70 0.07 0.00 -2.87 0.00 0.00 58.31 56.33 1e3i n LYS 340 Cb 0.08 -5.04 0.51 0.00 -1.84 0.00 0.00 35.03 28.73 1e3i n LYS 340 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1e3i h LYS 341 N -0.48 0.00 -3.12 1.97 3.64 -0.14 -3.45 116.57 114.99 1e3i h LYS 341 Ca -0.37 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1e3i h LYS 341 Cb 1.27 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 1e3i h LYS 341 CO 0.42 0.24 0.14 -0.59 -2.27 0.00 0.00 179.45 177.39 1e3i s PHE 342 N -4.23 -0.31 -0.28 1.91 -0.12 -1.26 -5.03 117.98 108.66 1e3i s PHE 342 Ca -0.03 -0.01 0.03 0.00 -0.05 0.00 0.00 56.93 56.88 1e3i s PHE 342 Cb 0.14 0.52 0.07 0.00 -0.63 0.00 0.00 43.02 43.12 1e3i s PHE 342 CO 0.67 -0.95 -0.06 0.34 -0.05 0.00 0.00 175.22 175.17 1e3i s ASP 343 N -2.83 4.51 0.52 1.98 -1.08 -1.26 -4.65 116.67 113.87 1e3i s ASP 343 Ca 0.06 -1.62 0.31 0.00 -0.52 0.00 0.00 52.55 50.77 1e3i s ASP 343 Cb -0.02 -1.55 1.26 0.00 -1.46 0.00 0.00 42.92 41.16 1e3i s ASP 343 CO -0.05 -0.25 1.95 -0.07 0.52 0.00 0.00 175.17 177.27 1e3i h LEU 344 N 7.73 0.00 -1.47 -1.34 3.38 -1.95 -3.20 115.31 118.46 1e3i h LEU 344 Ca -0.14 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.99 1e3i h LEU 344 Cb 1.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 1e3i h LEU 344 CO 0.48 0.07 0.55 -0.78 0.09 0.00 0.00 178.44 178.85 1e3i h ASP 345 N 0.00 0.48 0.35 -0.43 3.58 -1.93 0.50 116.42 118.96 1e3i h ASP 345 Ca -0.00 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1e3i h ASP 345 Cb 0.56 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 1e3i h ASP 345 CO 0.01 0.23 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.48 1e3i h LEU 346 N 0.50 0.00 0.00 2.28 4.07 -2.01 -2.44 115.31 117.71 1e3i h LEU 346 Ca 0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.38 1e3i h LEU 346 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1e3i h LEU 346 CO -0.16 0.05 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.04 1e3i h LEU 347 N 0.00 0.00 -8.72 1.67 3.38 -1.12 -3.43 115.31 107.09 1e3i h LEU 347 Ca -0.00 -0.02 -0.65 0.00 0.09 0.00 0.00 57.88 57.29 1e3i h LEU 347 Cb 0.24 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.83 1e3i h LEU 347 CO 0.01 0.01 -0.06 -0.69 0.09 0.00 0.00 178.44 177.80 1e3i s VAL 348 N -3.17 5.01 -0.10 1.22 1.01 -0.92 -2.46 120.40 120.99 1e3i s VAL 348 Ca 0.08 0.24 0.19 0.00 0.00 0.00 0.00 61.98 62.49 1e3i s VAL 348 Cb 0.10 -3.99 -0.29 0.00 0.00 0.00 0.00 36.38 32.20 1e3i s VAL 348 CO 0.65 -0.27 0.29 0.35 0.00 0.00 0.00 175.10 176.12 1e3i n THR 349 N 5.47 0.57 -4.16 3.92 -2.24 -0.59 -4.94 114.28 112.30 1e3i n THR 349 Ca -0.05 -0.63 -0.12 0.00 -2.27 0.00 0.00 64.05 60.98 1e3i n THR 349 Cb 0.49 -0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 68.43 1e3i n THR 349 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1e3i s HIS 350 N -3.03 1.06 -0.11 4.78 3.76 -1.16 -5.03 115.29 115.56 1e3i s HIS 350 Ca -0.08 -1.27 -0.08 0.00 -0.15 0.00 0.00 55.06 53.47 1e3i s HIS 350 Cb 0.10 -0.40 0.04 0.00 1.11 0.00 0.00 32.58 33.43 1e3i s HIS 350 CO 0.84 -0.76 0.27 0.00 -0.85 0.00 0.00 174.74 174.23 1e3i s ALA 351 N -4.00 -0.65 0.03 -1.40 0.00 -1.26 -1.86 121.76 112.62 1e3i s ALA 351 Ca 0.35 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 53.12 1e3i s ALA 351 Cb 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1e3i s ALA 351 CO 0.13 -0.16 0.19 -0.51 0.00 0.00 0.00 175.76 175.41 1e3i s LEU 352 N 0.64 1.39 0.47 0.00 1.43 -0.21 -4.94 118.68 117.47 1e3i s LEU 352 Ca -0.04 -0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 52.51 1e3i s LEU 352 Cb -0.05 0.91 -0.07 0.00 0.03 0.00 0.00 46.19 47.00 1e3i s LEU 352 CO -0.04 -0.51 1.20 -2.84 0.23 0.00 0.00 176.35 174.39 1e3i s PRO 353 N -2.28 3.66 0.29 1.29 0.02 -1.26 -1.85 135.00 134.87 1e3i s PRO 353 Ca -0.07 1.87 0.03 0.00 0.02 0.00 0.00 61.00 62.85 1e3i s PRO 353 Cb -0.02 -2.40 0.73 0.00 0.02 0.00 0.00 34.50 32.83 1e3i s PRO 353 CO -0.02 -0.66 1.66 0.35 -0.33 0.00 0.00 177.00 178.00 1e3i h PHE 354 N 1.98 0.47 0.00 6.54 3.57 -0.89 0.16 116.94 128.77 1e3i h PHE 354 Ca -0.50 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1e3i h PHE 354 Cb 1.26 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1e3i h PHE 354 CO 0.52 -0.16 0.12 0.93 -2.23 0.00 0.00 178.31 177.49 1e3i h GLU 355 N 0.27 0.00 -0.98 1.11 3.07 -1.90 -0.13 114.58 116.01 1e3i h GLU 355 Ca 0.56 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 59.02 1e3i h GLU 355 Cb 1.12 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.79 1e3i h GLU 355 CO -0.61 0.00 0.51 0.43 -1.40 0.00 0.00 179.01 177.94 1e3i n SER 356 N -2.99 3.70 -0.34 1.42 7.64 0.57 -4.58 113.62 119.04 1e3i n SER 356 Ca -0.03 -3.30 0.02 0.00 1.01 0.00 0.00 58.87 56.58 1e3i n SER 356 Cb 0.18 -0.77 0.17 0.00 -1.01 0.00 0.00 64.21 62.77 1e3i n SER 356 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1e3i h ILE 357 N 0.97 1.04 0.00 0.44 2.10 -1.14 -0.88 117.51 120.04 1e3i h ILE 357 Ca 0.50 -0.36 -0.02 0.00 1.08 0.00 0.00 64.86 66.06 1e3i h ILE 357 Cb 2.50 -0.10 -0.00 0.00 -1.09 0.00 0.00 36.82 38.13 1e3i h ILE 357 CO 0.89 0.19 -0.08 0.78 -1.08 0.00 0.00 178.15 178.85 1e3i h ASN 358 N 1.05 0.00 0.58 2.19 2.35 -1.86 -0.67 115.58 119.22 1e3i h ASN 358 Ca 0.42 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.97 1e3i h ASN 358 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1e3i h ASN 358 CO -0.19 0.08 -0.87 0.44 -1.65 0.00 0.00 177.43 175.23 1e3i h ASP 359 N 0.00 0.25 -0.38 5.81 3.32 -1.53 -1.94 116.42 121.95 1e3i h ASP 359 Ca -0.00 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 1e3i h ASP 359 Cb 0.20 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1e3i h ASP 359 CO 0.01 1.01 -0.18 0.00 -1.72 0.00 0.00 179.24 178.36 1e3i h ALA 360 N 0.98 0.84 -0.25 3.45 0.00 -0.84 -2.07 119.26 121.37 1e3i h ALA 360 Ca -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1e3i h ALA 360 Cb 1.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1e3i h ALA 360 CO 0.13 0.64 0.10 0.82 0.00 0.00 0.00 179.25 180.95 1e3i h ILE 361 N 0.76 1.16 -0.96 0.00 2.04 -1.11 -2.31 117.51 117.10 1e3i h ILE 361 Ca 0.11 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1e3i h ILE 361 Cb 0.71 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 1e3i h ILE 361 CO 0.05 0.17 0.63 0.44 0.00 0.00 0.00 178.15 179.44 1e3i h ASP 362 N 0.25 1.07 -0.42 1.72 3.32 -1.18 -1.80 116.42 119.38 1e3i h ASP 362 Ca 0.08 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1e3i h ASP 362 Cb 0.16 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1e3i h ASP 362 CO -0.01 0.76 0.23 -0.07 -1.72 0.00 0.00 179.24 178.43 1e3i h LEU 363 N 1.26 0.36 -0.53 1.55 3.38 -1.18 -1.09 115.31 119.06 1e3i h LEU 363 Ca 0.37 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.36 1e3i h LEU 363 Cb -0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1e3i h LEU 363 CO -0.10 0.26 0.35 -0.03 0.09 0.00 0.00 178.44 179.01 1e3i h MET 364 N 0.47 0.68 0.00 1.13 4.05 -0.86 -1.84 114.93 118.57 1e3i h MET 364 Ca 0.17 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.49 1e3i h MET 364 Cb 0.04 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 1e3i h MET 364 CO -0.10 0.45 -0.30 0.87 0.23 0.00 0.00 176.91 178.06 1e3i h LYS 365 N 0.70 0.00 0.00 0.39 1.57 -0.93 -1.37 116.57 116.93 1e3i h LYS 365 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1e3i h LYS 365 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1e3i h LYS 365 CO -0.05 0.30 0.00 0.39 -0.57 0.00 0.00 179.45 179.52 1e3i n GLU 366 N -3.97 0.58 -1.18 3.15 1.02 -0.45 -4.87 120.64 114.92 1e3i n GLU 366 Ca -0.02 0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.07 1e3i n GLU 366 Cb 0.37 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 1e3i n GLU 366 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1e3i n GLY 367 N 1.11 0.81 0.13 0.62 0.00 -0.52 -4.89 105.19 102.44 1e3i n GLY 367 Ca 0.17 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.95 1e3i n GLY 367 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1e3i n LYS 368 N -2.15 0.73 -4.16 1.61 5.02 -0.73 -4.93 118.16 113.55 1e3i n LYS 368 Ca -0.06 -0.26 -0.10 0.00 -2.02 0.00 0.00 58.31 55.87 1e3i n LYS 368 Cb 0.28 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.70 1e3i n LYS 368 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1e3i s SER 369 N -2.44 0.39 -0.01 4.39 1.04 -1.24 -4.99 113.70 110.83 1e3i s SER 369 Ca 0.30 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.50 1e3i s SER 369 Cb 0.20 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 1e3i s SER 369 CO 0.47 -0.72 -0.03 -0.38 0.98 0.00 0.00 173.24 173.56 1e3i n ILE 370 N -0.12 0.11 -3.84 -1.02 2.08 -1.26 -4.87 119.36 110.44 1e3i n ILE 370 Ca -0.05 0.45 -0.15 0.00 0.56 0.00 0.00 62.75 63.56 1e3i n ILE 370 Cb 0.64 -1.54 -0.16 0.00 -0.75 0.00 0.00 39.64 37.83 1e3i n ILE 370 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1e3i s ARG 371 N -1.14 0.07 -0.28 0.38 1.81 -1.03 -4.46 118.95 114.30 1e3i s ARG 371 Ca -0.02 0.12 -0.06 0.00 -1.72 0.00 0.00 55.73 54.05 1e3i s ARG 371 Cb 0.00 -0.28 0.01 0.00 -0.45 0.00 0.00 34.95 34.23 1e3i s ARG 371 CO 0.03 -0.13 0.04 0.99 -0.68 0.00 0.00 175.30 175.56 1e3i s THR 372 N 0.88 3.74 0.07 0.02 2.01 -1.26 -1.55 115.64 119.55 1e3i s THR 372 Ca -0.08 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 1e3i s THR 372 Cb -0.11 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 1e3i s THR 372 CO -0.02 0.16 1.10 -0.63 -0.69 0.00 0.00 174.62 174.53 1e3i s ILE 373 N 1.48 4.28 -0.23 1.82 -1.09 -0.78 -4.10 121.20 122.58 1e3i s ILE 373 Ca 0.03 1.71 -0.07 0.00 -2.23 0.00 0.00 60.65 60.09 1e3i s ILE 373 Cb -0.17 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1e3i s ILE 373 CO 0.01 0.18 0.05 -0.76 -1.23 0.00 0.00 174.94 173.19 1e3i s LEU 374 N 0.67 3.43 0.37 2.97 1.43 0.11 -1.04 118.68 126.62 1e3i s LEU 374 Ca 0.54 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 1e3i s LEU 374 Cb -0.27 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 1e3i s LEU 374 CO 0.30 0.01 0.09 0.42 0.23 0.00 0.00 176.35 177.40 1e3i s THR 375 N 1.36 2.58 0.00 5.49 -4.23 -0.77 -1.72 115.64 118.35 1e3i s THR 375 Ca 0.05 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1e3i s THR 375 Cb -0.15 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1e3i s THR 375 CO 0.03 -0.12 0.46 0.49 -0.54 0.00 0.00 174.62 174.94