#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o0x s ILE 7 N 0.00 3.78 -0.20 3.17 1.01 -1.26 -4.48 121.20 123.21 1o0x s ILE 7 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 1o0x s ILE 7 Cb 0.00 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 1o0x s ILE 7 CO 0.00 0.50 1.20 -0.13 0.00 0.00 0.00 174.94 176.51 1o0x s ARG 8 N 0.35 4.21 -0.35 2.79 0.52 -1.26 -5.00 118.95 120.21 1o0x s ARG 8 Ca -0.05 1.53 -0.20 0.00 -0.52 0.00 0.00 55.73 56.49 1o0x s ARG 8 Cb -0.14 -3.74 0.00 0.00 0.52 0.00 0.00 34.95 31.59 1o0x s ARG 8 CO 0.03 -0.72 0.60 0.42 0.02 0.00 0.00 175.30 175.65 1o0x s ILE 9 N 3.48 4.93 0.36 1.52 -1.09 -1.26 -4.43 121.20 124.71 1o0x s ILE 9 Ca 0.52 0.50 -0.26 0.00 -2.23 0.00 0.00 60.65 59.18 1o0x s ILE 9 Cb -0.19 -4.04 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 1o0x s ILE 9 CO 0.13 -0.28 1.07 -0.54 -1.23 0.00 0.00 174.94 174.08 1o0x s LYS 10 N 2.60 4.30 0.47 2.79 -0.14 0.46 -4.98 119.74 125.24 1o0x s LYS 10 Ca 0.22 1.61 -0.03 0.00 -1.36 0.00 0.00 55.97 56.41 1o0x s LYS 10 Cb -0.15 -2.75 -0.02 0.00 -1.68 0.00 0.00 37.83 33.23 1o0x s LYS 10 CO 0.14 -0.04 0.73 0.95 -0.76 0.00 0.00 175.35 176.38 1o0x s THR 11 N -1.49 4.58 0.26 2.17 -4.23 -1.26 -4.86 115.64 110.81 1o0x s THR 11 Ca 0.54 -0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 1o0x s THR 11 Cb -0.25 -3.73 0.24 0.00 1.34 0.00 0.00 72.50 70.10 1o0x s THR 11 CO 0.32 -0.63 1.78 -0.65 -0.54 0.00 0.00 174.62 174.90 1o0x h PRO 12 N 0.30 0.70 -0.24 3.99 0.11 -1.99 0.13 132.00 134.99 1o0x h PRO 12 Ca -0.47 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.62 1o0x h PRO 12 Cb 1.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1o0x h PRO 12 CO 0.61 0.46 0.09 1.03 -0.21 0.00 0.00 178.00 179.98 1o0x h SER 13 N 0.72 0.11 -0.64 -2.05 0.87 -2.00 -1.49 113.55 109.06 1o0x h SER 13 Ca 0.46 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 61.02 1o0x h SER 13 Cb 0.58 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 1o0x h SER 13 CO -0.32 0.10 0.32 -0.33 -0.53 0.00 0.00 176.83 176.07 1o0x h GLU 14 N 0.21 0.92 -0.67 2.24 5.08 -1.63 -2.67 114.58 118.06 1o0x h GLU 14 Ca 0.10 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1o0x h GLU 14 Cb 0.06 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1o0x h GLU 14 CO -0.10 0.72 0.43 0.82 -1.00 0.00 0.00 179.01 179.88 1o0x h ILE 15 N 0.88 1.18 -0.74 3.13 2.04 -0.36 -0.11 117.51 123.54 1o0x h ILE 15 Ca 0.22 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.76 1o0x h ILE 15 Cb 0.09 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1o0x h ILE 15 CO -0.03 0.17 0.48 -0.08 0.00 0.00 0.00 178.15 178.70 1o0x h GLU 16 N 0.91 0.94 -0.08 2.37 4.81 -1.15 0.83 114.58 123.21 1o0x h GLU 16 Ca 0.24 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 1o0x h GLU 16 Cb -0.09 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 1o0x h GLU 16 CO -0.05 0.62 -0.56 0.87 -0.73 0.00 0.00 179.01 179.17 1o0x h LYS 17 N 0.97 0.23 -0.11 1.92 1.57 -1.06 -2.41 116.57 117.68 1o0x h LYS 17 Ca 0.28 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1o0x h LYS 17 Cb -0.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1o0x h LYS 17 CO -0.08 0.73 -0.38 0.52 -0.57 0.00 0.00 179.45 179.67 1o0x h MET 18 N 0.18 0.23 -0.34 3.15 2.86 -0.28 -1.87 114.93 118.86 1o0x h MET 18 Ca -0.00 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 1o0x h MET 18 Cb 1.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1o0x h MET 18 CO 0.09 0.58 -0.24 0.87 1.06 0.00 0.00 176.91 179.27 1o0x h LYS 19 N 0.20 0.68 -0.16 1.72 1.57 -0.50 0.64 116.57 120.72 1o0x h LYS 19 Ca 0.02 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1o0x h LYS 19 Cb 0.76 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1o0x h LYS 19 CO 0.06 0.86 0.05 -0.22 -0.57 0.00 0.00 179.45 179.63 1o0x h LYS 20 N 0.59 0.24 -0.69 3.15 1.63 -1.17 0.45 116.57 120.78 1o0x h LYS 20 Ca 0.08 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1o0x h LYS 20 Cb 0.73 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.29 1o0x h LYS 20 CO 0.06 0.35 0.34 0.00 -3.45 0.00 0.00 179.45 176.75 1o0x h ALA 21 N 0.88 0.89 -0.23 5.00 0.00 -1.09 -1.99 119.26 122.72 1o0x h ALA 21 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1o0x h ALA 21 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1o0x h ALA 21 CO -0.00 0.44 0.12 0.78 0.00 0.00 0.00 179.25 180.59 1o0x h GLY 22 N 0.95 0.35 1.14 0.00 0.00 0.62 -2.31 103.07 103.84 1o0x h GLY 22 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1o0x h GLY 22 CO -0.03 0.16 0.47 1.70 0.00 0.00 0.00 176.54 178.84 1o0x h LYS 23 N 0.26 1.13 -0.40 4.80 3.64 0.04 0.41 116.57 126.45 1o0x h LYS 23 Ca 0.08 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1o0x h LYS 23 Cb 0.08 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1o0x h LYS 23 CO -0.01 0.81 -0.11 0.00 -2.27 0.00 0.00 179.45 177.86 1o0x h ALA 24 N 1.38 1.06 -0.43 5.00 0.00 -1.18 0.17 119.26 125.26 1o0x h ALA 24 Ca 0.29 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1o0x h ALA 24 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1o0x h ALA 24 CO -0.05 0.58 0.10 0.28 0.00 0.00 0.00 179.25 180.16 1o0x h VAL 25 N 0.64 1.23 -0.11 0.00 2.07 -0.84 -1.09 116.25 118.16 1o0x h VAL 25 Ca 0.11 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1o0x h VAL 25 Cb 0.56 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1o0x h VAL 25 CO 0.04 0.28 0.05 0.00 0.02 0.00 0.00 177.57 177.96 1o0x h ALA 26 N 0.96 0.13 -0.19 1.67 0.00 -0.14 0.04 119.26 121.73 1o0x h ALA 26 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1o0x h ALA 26 Cb 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1o0x h ALA 26 CO 0.00 -0.40 -0.07 0.28 0.00 0.00 0.00 179.25 179.06 1o0x h VAL 27 N 0.11 0.76 -0.39 0.00 2.07 -0.91 0.28 116.25 118.16 1o0x h VAL 27 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1o0x h VAL 27 Cb 0.01 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1o0x h VAL 27 CO -0.03 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.78 1o0x h ALA 28 N 1.14 0.49 -0.27 1.67 0.00 -0.91 -0.13 119.26 121.25 1o0x h ALA 28 Ca 0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1o0x h ALA 28 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1o0x h ALA 28 CO -0.22 -0.12 -0.05 -0.07 0.00 0.00 0.00 179.25 178.80 1o0x h LEU 29 N 0.46 0.39 -0.06 0.00 4.07 -0.53 -1.40 115.31 118.24 1o0x h LEU 29 Ca 0.16 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 1o0x h LEU 29 Cb 0.02 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.65 1o0x h LEU 29 CO -0.08 0.49 -0.07 -0.09 -1.08 0.00 0.00 178.44 177.62 1o0x h ARG 30 N 0.40 0.15 -0.17 1.13 2.43 -0.50 -3.32 114.38 114.50 1o0x h ARG 30 Ca 0.08 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1o0x h ARG 30 Cb 0.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1o0x h ARG 30 CO 0.01 0.62 -0.16 0.93 -1.51 0.00 0.00 179.97 179.86 1o0x h GLU 31 N -0.30 0.28 0.00 0.20 4.39 -0.70 -2.74 114.58 115.71 1o0x h GLU 31 Ca 0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1o0x h GLU 31 Cb 0.59 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1o0x h GLU 31 CO 0.02 0.44 0.00 -0.39 -1.16 0.00 0.00 179.01 177.92 1o0x h VAL 32 N 0.26 0.00 -0.16 3.13 -1.51 -1.37 -1.98 116.25 114.62 1o0x h VAL 32 Ca 0.05 -0.37 0.03 0.00 -1.23 0.00 0.00 66.70 65.17 1o0x h VAL 32 Cb 0.44 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1o0x h VAL 32 CO 0.03 0.00 0.11 -0.09 -1.23 0.00 0.00 177.57 176.39 1o0x h ARG 33 N 0.00 0.09 0.00 5.19 2.43 -1.59 -0.75 114.38 119.75 1o0x h ARG 33 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1o0x h ARG 33 Cb 0.42 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1o0x h ARG 33 CO 0.00 0.06 0.00 0.87 -1.51 0.00 0.00 179.97 179.39 1o0x h LYS 34 N 0.10 0.00 -0.10 0.20 1.57 -1.54 -2.61 116.57 114.18 1o0x h LYS 34 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1o0x h LYS 34 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1o0x h LYS 34 CO -0.01 0.00 0.00 1.55 -0.57 0.00 0.00 179.45 180.42 1o0x n VAL 35 N -3.01 0.15 -3.08 0.50 3.14 -0.31 -4.71 118.33 111.02 1o0x n VAL 35 Ca 0.00 -0.57 -0.44 0.00 -2.96 0.00 0.00 64.34 60.36 1o0x n VAL 35 Cb 0.26 1.22 0.00 0.00 -1.06 0.00 0.00 33.84 34.26 1o0x n VAL 35 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1o0x n ILE 36 N 0.95 4.43 -4.14 1.55 5.41 -0.99 -4.68 119.36 121.90 1o0x n ILE 36 Ca 0.11 -5.03 -0.09 0.00 1.00 0.00 0.00 62.75 58.74 1o0x n ILE 36 Cb 0.43 -2.49 -0.10 0.00 -0.71 0.00 0.00 39.64 36.77 1o0x n ILE 36 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1o0x s VAL 37 N 0.17 0.50 0.08 1.39 -7.23 -1.26 -4.68 120.40 109.37 1o0x s VAL 37 Ca 0.37 -1.89 -0.36 0.00 -1.81 0.00 0.00 61.98 58.30 1o0x s VAL 37 Cb -0.05 -1.62 -0.15 0.00 0.56 0.00 0.00 36.38 35.12 1o0x s VAL 37 CO -0.03 -0.92 1.47 -2.65 -0.31 0.00 0.00 175.10 172.66 1o0x n PRO 38 N 0.02 1.52 0.00 4.82 -0.02 -1.26 -1.67 135.00 138.41 1o0x n PRO 38 Ca -0.13 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1o0x n PRO 38 Cb 0.61 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1o0x n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o0x n GLY 39 N 3.01 3.10 3.87 -1.23 0.00 -0.69 -4.98 105.19 108.26 1o0x n GLY 39 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1o0x n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o0x s LYS 40 N -0.35 1.37 0.30 1.61 -0.14 -0.67 -4.76 119.74 117.09 1o0x s LYS 40 Ca 0.00 0.04 0.04 0.00 -1.36 0.00 0.00 55.97 54.68 1o0x s LYS 40 Cb 0.00 -1.89 -0.06 0.00 -1.68 0.00 0.00 37.83 34.20 1o0x s LYS 40 CO 0.00 -1.99 0.04 0.95 -0.76 0.00 0.00 175.35 173.58 1o0x s THR 41 N -3.55 1.16 0.51 2.17 -4.23 -1.26 -1.13 115.64 109.30 1o0x s THR 41 Ca 0.65 -2.02 0.17 0.00 -1.18 0.00 0.00 61.69 59.32 1o0x s THR 41 Cb -0.10 -2.66 0.26 0.00 1.34 0.00 0.00 72.50 71.34 1o0x s THR 41 CO 0.51 -0.09 2.13 0.00 -0.54 0.00 0.00 174.62 176.63 1o0x h ALA 42 N 2.22 1.88 -0.01 3.99 0.00 -0.92 -1.04 119.26 125.38 1o0x h ALA 42 Ca -0.40 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1o0x h ALA 42 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1o0x h ALA 42 CO 0.68 0.04 -0.45 2.35 0.00 0.00 0.00 179.25 181.87 1o0x h TRP 43 N 0.00 0.03 -0.21 0.00 2.91 -1.59 -1.15 115.95 115.95 1o0x h TRP 43 Ca -0.00 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 1o0x h TRP 43 Cb 0.06 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 1o0x h TRP 43 CO 0.00 0.47 -0.07 -0.44 -1.03 0.00 0.00 178.44 177.38 1o0x h ASP 44 N 0.02 0.29 -0.15 2.65 3.45 -1.51 0.11 116.42 121.29 1o0x h ASP 44 Ca -0.00 -0.05 -0.07 0.00 0.43 0.00 0.00 57.03 57.33 1o0x h ASP 44 Cb 0.81 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.50 1o0x h ASP 44 CO 0.06 0.41 -0.20 0.58 -1.57 0.00 0.00 179.24 178.52 1o0x h VAL 45 N 0.30 1.35 -0.21 -1.35 2.07 -1.14 -2.19 116.25 115.09 1o0x h VAL 45 Ca 0.07 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.21 1o0x h VAL 45 Cb 0.32 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1o0x h VAL 45 CO 0.01 0.41 0.03 -0.08 0.02 0.00 0.00 177.57 177.97 1o0x h GLU 46 N 0.01 0.11 -0.39 1.57 4.57 -0.94 -0.57 114.58 118.94 1o0x h GLU 46 Ca 0.02 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1o0x h GLU 46 Cb 0.75 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.28 1o0x h GLU 46 CO 0.05 0.07 0.16 1.15 -1.18 0.00 0.00 179.01 179.26 1o0x h THR 47 N 0.11 0.92 -0.40 0.32 2.02 -0.83 -0.29 112.91 114.76 1o0x h THR 47 Ca 0.09 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1o0x h THR 47 Cb 0.10 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1o0x h THR 47 CO -0.13 0.06 0.14 0.25 0.37 0.00 0.00 175.52 176.21 1o0x h LEU 48 N 0.33 0.58 -0.64 2.58 6.46 -1.11 -2.08 115.31 121.43 1o0x h LEU 48 Ca 0.18 -0.19 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1o0x h LEU 48 Cb 0.13 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 39.87 1o0x h LEU 48 CO -0.16 0.61 0.38 0.58 -0.62 0.00 0.00 178.44 179.23 1o0x h VAL 49 N 0.51 1.04 -0.99 1.05 2.07 -0.61 -1.19 116.25 118.13 1o0x h VAL 49 Ca 0.13 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1o0x h VAL 49 Cb 0.23 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 1o0x h VAL 49 CO -0.01 0.13 0.64 -0.07 0.02 0.00 0.00 177.57 178.29 1o0x h LEU 50 N 0.73 1.05 -0.32 2.57 3.38 -0.74 0.04 115.31 122.03 1o0x h LEU 50 Ca 0.27 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1o0x h LEU 50 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1o0x h LEU 50 CO -0.13 0.70 0.05 -0.33 0.09 0.00 0.00 178.44 178.82 1o0x h GLU 51 N 1.21 0.54 -0.37 1.13 5.08 -0.66 -1.27 114.58 120.24 1o0x h GLU 51 Ca 0.41 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1o0x h GLU 51 Cb 0.07 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1o0x h GLU 51 CO -0.14 0.63 0.21 0.82 -1.00 0.00 0.00 179.01 179.52 1o0x h ILE 52 N 0.36 1.14 -0.62 3.13 2.04 -0.81 0.67 117.51 123.42 1o0x h ILE 52 Ca 0.10 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1o0x h ILE 52 Cb 0.36 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1o0x h ILE 52 CO 0.01 0.14 0.32 -0.26 0.00 0.00 0.00 178.15 178.36 1o0x h PHE 53 N 0.47 0.87 0.10 1.37 0.05 -0.95 0.34 116.94 119.19 1o0x h PHE 53 Ca 0.13 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.89 1o0x h PHE 53 Cb 0.04 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 37.72 1o0x h PHE 53 CO -0.03 0.64 -0.06 -0.22 -0.18 0.00 0.00 178.31 178.46 1o0x h LYS 54 N 0.85 -0.15 -0.66 1.51 3.64 -0.87 0.71 116.57 121.60 1o0x h LYS 54 Ca 0.22 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1o0x h LYS 54 Cb 0.08 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1o0x h LYS 54 CO -0.03 -0.10 0.43 0.87 -2.27 0.00 0.00 179.45 178.35 1o0x h LYS 55 N -0.15 0.68 -0.06 1.90 1.57 -0.45 0.24 116.57 120.30 1o0x h LYS 55 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1o0x h LYS 55 Cb 0.13 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1o0x h LYS 55 CO 0.01 0.45 0.00 1.28 -0.57 0.00 0.00 179.45 180.62 1o0x n LEU 56 N -4.47 1.09 -3.50 2.94 4.77 0.12 -4.94 117.00 113.00 1o0x n LEU 56 Ca 0.09 -0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 55.44 1o0x n LEU 56 Cb 0.20 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1o0x n LEU 56 CO 0.34 0.20 -0.02 -2.11 -1.33 0.00 0.00 177.39 174.47 1o0x n ARG 57 N -0.11 -2.59 -4.08 3.23 1.85 0.15 -5.02 116.66 110.08 1o0x n ARG 57 Ca 0.18 0.67 -0.09 0.00 -1.00 0.00 0.00 57.85 57.61 1o0x n ARG 57 Cb 0.27 -5.09 -0.10 0.00 -1.05 0.00 0.00 32.46 26.49 1o0x n ARG 57 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1o0x s VAL 58 N -3.47 0.34 0.05 8.89 0.11 -0.64 -4.94 120.40 120.74 1o0x s VAL 58 Ca 0.36 -1.56 0.05 0.00 -2.93 0.00 0.00 61.98 57.90 1o0x s VAL 58 Cb -0.09 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 1o0x s VAL 58 CO 0.80 -0.79 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.16 1o0x s LYS 59 N -3.09 2.37 -0.04 1.54 1.02 0.25 -4.32 119.74 117.46 1o0x s LYS 59 Ca 0.01 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.85 1o0x s LYS 59 Cb 0.01 -2.41 -0.06 0.00 -0.52 0.00 0.00 37.83 34.85 1o0x s LYS 59 CO -0.06 0.56 1.67 -1.25 -0.92 0.00 0.00 175.35 175.35 1o0x s PRO 60 N -1.78 4.18 0.35 -1.68 0.04 -1.26 0.15 135.00 135.00 1o0x s PRO 60 Ca 0.19 2.22 0.18 0.00 0.04 0.00 0.00 61.00 63.63 1o0x s PRO 60 Cb -0.11 -3.98 0.48 0.00 0.04 0.00 0.00 34.50 30.93 1o0x s PRO 60 CO 0.11 -0.85 1.64 0.00 0.04 0.00 0.00 177.00 177.94 1o0x h ALA 61 N 9.55 0.87 0.00 8.56 0.00 -1.06 -3.29 119.26 133.89 1o0x h ALA 61 Ca -0.40 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.00 1o0x h ALA 61 Cb 1.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1o0x h ALA 61 CO 0.95 0.49 -0.74 0.74 0.00 0.00 0.00 179.25 180.70 1o0x h PHE 62 N 0.00 0.00 -2.77 0.00 0.05 -1.79 -3.41 116.94 109.03 1o0x h PHE 62 Ca -0.00 0.00 -0.57 0.00 3.82 0.00 0.00 57.97 61.21 1o0x h PHE 62 Cb 1.06 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.98 1o0x h PHE 62 CO 0.00 0.73 1.23 0.21 -0.18 0.00 0.00 178.31 180.30 1o0x s LYS 63 N -2.84 3.36 0.00 1.51 2.20 -0.65 -1.27 119.74 122.04 1o0x s LYS 63 Ca 0.03 1.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1o0x s LYS 63 Cb 0.09 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 1o0x s LYS 63 CO 0.78 -1.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.36 1o0x n GLY 64 N 5.36 0.60 3.60 5.54 0.00 0.37 -4.97 105.19 115.68 1o0x n GLY 64 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1o0x n GLY 64 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1o0x s TYR 65 N -2.29 2.05 -1.46 1.61 5.04 -0.40 -2.61 117.35 119.29 1o0x s TYR 65 Ca 0.00 0.63 -0.04 0.00 -2.44 0.00 0.00 57.07 55.21 1o0x s TYR 65 Cb 0.00 -4.17 0.02 0.00 0.35 0.00 0.00 41.96 38.16 1o0x s TYR 65 CO 0.00 -2.62 0.41 0.41 -1.34 0.00 0.00 175.55 172.40 1o0x n GLY 66 N 5.21 -0.51 1.83 8.97 0.00 -1.26 -1.08 105.19 118.35 1o0x n GLY 66 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1o0x n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o0x n GLY 67 N -1.27 1.99 3.71 -0.02 0.00 -1.07 -5.02 105.19 103.50 1o0x n GLY 67 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1o0x n GLY 67 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1o0x n TYR 68 N -2.00 2.46 1.15 1.61 9.36 -0.24 -4.77 117.16 124.73 1o0x n TYR 68 Ca 0.00 0.39 0.12 0.00 3.32 0.00 0.00 57.90 61.74 1o0x n TYR 68 Cb 0.00 -2.50 0.21 0.00 -0.63 0.00 0.00 39.34 36.42 1o0x n TYR 68 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1o0x n LYS 69 N 1.74 1.47 -4.51 2.98 5.02 -1.26 0.14 118.16 123.73 1o0x n LYS 69 Ca 0.09 -1.09 -0.24 0.00 -2.02 0.00 0.00 58.31 55.05 1o0x n LYS 69 Cb 0.34 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.77 1o0x n LYS 69 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1o0x s TYR 70 N -2.28 2.19 -0.40 2.13 1.51 -1.26 -4.75 117.35 114.50 1o0x s TYR 70 Ca 0.26 -0.77 0.23 0.00 -1.01 0.00 0.00 57.07 55.78 1o0x s TYR 70 Cb 0.19 -1.43 0.25 0.00 -0.11 0.00 0.00 41.96 40.86 1o0x s TYR 70 CO 0.45 0.26 1.41 0.00 -1.11 0.00 0.00 175.55 176.56 1o0x h ALA 71 N 2.02 0.81 -2.37 3.71 0.00 -1.92 -1.73 119.26 119.77 1o0x h ALA 71 Ca -0.42 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1o0x h ALA 71 Cb 1.24 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.87 1o0x h ALA 71 CO 0.73 0.00 -0.69 -0.08 0.00 0.00 0.00 179.25 179.21 1o0x s THR 72 N -3.26 0.45 -0.08 0.00 -1.32 -1.26 -4.36 115.64 105.81 1o0x s THR 72 Ca 0.05 -1.74 0.03 0.00 -1.21 0.00 0.00 61.69 58.81 1o0x s THR 72 Cb 0.07 -1.43 -0.02 0.00 -1.51 0.00 0.00 72.50 69.62 1o0x s THR 72 CO 0.71 -0.86 -0.16 0.00 -2.21 0.00 0.00 174.62 172.10 1o0x s VAL 74 N -0.23 1.16 -0.16 0.00 1.01 0.66 -1.63 120.40 121.21 1o0x s VAL 74 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1o0x s VAL 74 Cb -0.13 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1o0x s VAL 74 CO 0.03 0.16 -0.18 -0.44 0.00 0.00 0.00 175.10 174.67 1o0x s SER 75 N 1.61 2.93 -0.10 3.32 0.01 0.08 -4.00 113.70 117.55 1o0x s SER 75 Ca 0.01 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 56.67 1o0x s SER 75 Cb -0.15 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.70 1o0x s SER 75 CO -0.08 -0.01 0.02 -0.69 0.41 0.00 0.00 173.24 172.89 1o0x s VAL 76 N 1.29 4.44 0.00 3.43 1.01 -1.26 -0.32 120.40 128.99 1o0x s VAL 76 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1o0x s VAL 76 Cb -0.13 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1o0x s VAL 76 CO -0.10 0.59 0.00 0.59 0.00 0.00 0.00 175.10 176.18 1o0x n ASN 77 N 2.28 0.00 0.00 3.32 3.02 0.43 -1.73 115.26 122.58 1o0x n ASN 77 Ca -0.19 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.43 1o0x n ASN 77 Cb 0.54 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 40.03 1o0x n ASN 77 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1o0x n GLU 78 N 0.28 0.05 -2.48 3.52 0.00 -1.26 -1.89 120.64 118.86 1o0x n GLU 78 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 57.16 56.97 1o0x n GLU 78 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 29.91 1o0x n GLU 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1o0x s GLU 79 N -2.90 4.34 -0.13 3.44 2.02 -0.71 -1.49 118.70 123.27 1o0x s GLU 79 Ca 0.09 1.64 -0.07 0.00 0.02 0.00 0.00 54.97 56.64 1o0x s GLU 79 Cb 0.09 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 1o0x s GLU 79 CO 0.25 -0.47 -0.05 0.28 0.02 0.00 0.00 175.26 175.29 1o0x h VAL 80 N 5.08 0.13 -3.87 2.63 2.07 0.13 -3.39 116.25 119.04 1o0x h VAL 80 Ca -0.33 -1.13 -0.10 0.00 0.82 0.00 0.00 66.70 65.96 1o0x h VAL 80 Cb 1.15 0.28 -0.12 0.00 -1.52 0.00 0.00 31.29 31.07 1o0x h VAL 80 CO 0.89 0.04 -0.30 0.68 0.02 0.00 0.00 177.57 178.90 1o0x s VAL 81 N -1.99 0.06 -1.80 2.57 -7.23 -1.25 -4.85 120.40 105.91 1o0x s VAL 81 Ca -0.10 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1o0x s VAL 81 Cb 0.01 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1o0x s VAL 81 CO 0.18 -0.26 0.00 1.41 -0.31 0.00 0.00 175.10 176.12 1o0x n HIS 82 N -0.23 -0.36 -2.14 2.82 8.25 -1.26 -2.21 115.22 120.09 1o0x n HIS 82 Ca -0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.98 1o0x n HIS 82 Cb 0.63 -3.33 -0.03 0.00 1.12 0.00 0.00 29.99 28.39 1o0x n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1o0x s GLY 83 N -2.55 2.46 0.14 -1.41 0.00 -1.26 -3.44 107.32 101.27 1o0x s GLY 83 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 44.72 45.61 1o0x s GLY 83 CO 0.00 2.12 1.06 1.08 0.00 0.00 0.00 173.10 177.36 1o0x s LEU 84 N -0.36 4.48 -1.47 0.66 1.43 -1.26 -0.25 118.68 121.91 1o0x s LEU 84 Ca 0.57 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 1o0x s LEU 84 Cb -0.38 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 1o0x s LEU 84 CO 0.41 -0.19 2.55 -0.81 0.23 0.00 0.00 176.35 178.54 1o0x n PRO 85 N 2.68 3.14 -3.09 1.29 -0.04 -1.26 -4.66 135.00 133.06 1o0x n PRO 85 Ca 0.03 -2.31 -0.34 0.00 -0.04 0.00 0.00 63.50 60.84 1o0x n PRO 85 Cb 0.47 -3.00 -0.06 0.00 -0.04 0.00 0.00 33.50 30.88 1o0x n PRO 85 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1o0x s LEU 86 N 1.08 4.14 0.28 1.53 1.43 -1.26 -2.97 118.68 122.92 1o0x s LEU 86 Ca 0.58 1.37 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 1o0x s LEU 86 Cb 0.16 -3.98 0.58 0.00 0.03 0.00 0.00 46.19 42.97 1o0x s LEU 86 CO -0.06 -0.15 1.83 0.11 0.23 0.00 0.00 176.35 178.31 1o0x h LYS 87 N 2.59 0.93 0.00 1.70 1.57 -1.92 0.19 116.57 121.63 1o0x h LYS 87 Ca -0.48 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1o0x h LYS 87 Cb 1.18 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1o0x h LYS 87 CO 0.65 0.61 0.00 0.39 -0.57 0.00 0.00 179.45 180.53 1o0x n GLU 88 N -4.65 0.02 -3.07 3.15 4.71 -1.26 -4.22 120.64 115.33 1o0x n GLU 88 Ca 0.19 0.45 -0.45 0.00 -0.01 0.00 0.00 57.16 57.34 1o0x n GLU 88 Cb 0.38 -1.56 -0.03 0.00 -1.01 0.00 0.00 31.44 29.23 1o0x n GLU 88 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1o0x s LYS 89 N -3.07 3.52 -0.17 3.49 2.20 0.68 -5.00 119.74 121.39 1o0x s LYS 89 Ca 0.02 -1.88 -0.13 0.00 -0.36 0.00 0.00 55.97 53.61 1o0x s LYS 89 Cb 0.03 -4.67 -0.05 0.00 -1.51 0.00 0.00 37.83 31.64 1o0x s LYS 89 CO 0.10 -1.60 0.28 0.08 -0.36 0.00 0.00 175.35 173.85 1o0x s VAL 90 N 1.99 5.32 0.30 4.02 1.01 -1.26 -0.56 120.40 131.22 1o0x s VAL 90 Ca 0.25 0.51 -0.29 0.00 0.00 0.00 0.00 61.98 62.45 1o0x s VAL 90 Cb -0.09 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 1o0x s VAL 90 CO -0.07 0.39 1.16 -0.36 0.00 0.00 0.00 175.10 176.22 1o0x s PHE 91 N 0.51 3.39 0.28 5.22 0.40 -0.29 -4.88 117.98 122.61 1o0x s PHE 91 Ca 0.15 1.61 0.12 0.00 -0.60 0.00 0.00 56.93 58.21 1o0x s PHE 91 Cb -0.13 -3.40 -0.05 0.00 0.51 0.00 0.00 43.02 39.95 1o0x s PHE 91 CO 0.03 -0.96 -0.19 0.15 0.70 0.00 0.00 175.22 174.96 1o0x s LYS 92 N -1.62 1.68 0.23 0.44 -0.14 -1.26 -1.71 119.74 117.36 1o0x s LYS 92 Ca 0.47 -1.78 -0.32 0.00 -1.36 0.00 0.00 55.97 52.98 1o0x s LYS 92 Cb -0.34 -1.74 -0.13 0.00 -1.68 0.00 0.00 37.83 33.95 1o0x s LYS 92 CO 0.44 0.31 1.60 -1.91 -0.76 0.00 0.00 175.35 175.03 1o0x n GLU 93 N -0.63 2.50 0.00 1.68 4.07 -1.26 -2.15 120.64 124.85 1o0x n GLU 93 Ca -0.05 0.90 0.00 0.00 -0.06 0.00 0.00 57.16 57.94 1o0x n GLU 93 Cb 0.60 -2.67 0.00 0.00 -0.06 0.00 0.00 31.44 29.31 1o0x n GLU 93 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1o0x n GLY 94 N 2.98 2.09 3.77 8.31 0.00 0.42 -4.93 105.19 117.83 1o0x n GLY 94 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1o0x n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o0x s ASP 95 N -2.65 6.11 -0.21 1.61 1.01 -0.91 -4.56 116.67 117.06 1o0x s ASP 95 Ca 0.00 3.03 -0.11 0.00 0.71 0.00 0.00 52.55 56.18 1o0x s ASP 95 Cb 0.00 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 1o0x s ASP 95 CO 0.00 -1.03 0.17 -0.63 0.21 0.00 0.00 175.17 173.89 1o0x s ILE 96 N -1.15 5.37 -0.11 0.77 1.01 -1.26 -0.95 121.20 124.87 1o0x s ILE 96 Ca 0.56 0.25 0.01 0.00 0.00 0.00 0.00 60.65 61.47 1o0x s ILE 96 Cb -0.46 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.52 1o0x s ILE 96 CO 0.61 0.39 -0.11 -0.69 0.00 0.00 0.00 174.94 175.14 1o0x s VAL 97 N 0.71 1.23 -0.16 2.92 1.01 0.24 -0.43 120.40 125.92 1o0x s VAL 97 Ca 0.09 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 1o0x s VAL 97 Cb -0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1o0x s VAL 97 CO 0.02 0.39 0.02 -0.44 0.00 0.00 0.00 175.10 175.09 1o0x s SER 98 N 1.36 5.26 -0.14 3.32 0.01 0.56 -0.55 113.70 123.51 1o0x s SER 98 Ca -0.00 0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.28 1o0x s SER 98 Cb -0.14 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1o0x s SER 98 CO -0.05 0.20 -0.19 -0.69 0.41 0.00 0.00 173.24 172.92 1o0x s VAL 99 N 0.18 2.40 -0.06 3.43 1.01 -0.03 -0.74 120.40 126.60 1o0x s VAL 99 Ca 0.01 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.17 1o0x s VAL 99 Cb -0.13 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 1o0x s VAL 99 CO 0.02 0.53 -0.21 -0.62 0.00 0.00 0.00 175.10 174.82 1o0x s ASP 100 N 0.70 2.61 0.01 3.32 -1.08 -0.65 -1.78 116.67 119.80 1o0x s ASP 100 Ca -0.09 -0.44 -0.19 0.00 -0.52 0.00 0.00 52.55 51.31 1o0x s ASP 100 Cb -0.16 -0.87 0.04 0.00 -1.46 0.00 0.00 42.92 40.47 1o0x s ASP 100 CO 0.01 0.17 0.42 0.54 0.52 0.00 0.00 175.17 176.84 1o0x s VAL 101 N 0.10 0.05 0.08 1.11 0.11 -0.67 -1.60 120.40 119.57 1o0x s VAL 101 Ca -0.08 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 1o0x s VAL 101 Cb -0.14 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1o0x s VAL 101 CO 0.04 -0.21 -0.06 -0.83 -3.33 0.00 0.00 175.10 170.71 1o0x s GLY 102 N -1.62 0.67 0.06 6.54 0.00 -1.26 -2.06 107.32 109.66 1o0x s GLY 102 Ca -0.09 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.44 1o0x s GLY 102 CO 0.02 -1.30 -0.08 0.00 0.00 0.00 0.00 173.10 171.74 1o0x s ALA 103 N -3.19 0.77 -0.04 3.20 0.00 -0.35 -0.49 121.76 121.66 1o0x s ALA 103 Ca 0.07 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1o0x s ALA 103 Cb 0.02 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1o0x s ALA 103 CO -0.04 -0.06 -0.15 0.54 0.00 0.00 0.00 175.76 176.05 1o0x s VAL 104 N -2.00 1.30 -0.17 0.00 0.11 0.12 -1.77 120.40 117.99 1o0x s VAL 104 Ca -0.03 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.38 1o0x s VAL 104 Cb -0.06 -1.13 0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1o0x s VAL 104 CO -0.01 0.38 -0.01 -0.47 -3.33 0.00 0.00 175.10 171.66 1o0x s TYR 105 N 0.16 1.40 -1.57 1.54 5.04 -0.45 -0.58 117.35 122.89 1o0x s TYR 105 Ca -0.06 -0.95 -0.13 0.00 -2.44 0.00 0.00 57.07 53.49 1o0x s TYR 105 Cb -0.12 -1.17 0.10 0.00 0.35 0.00 0.00 41.96 41.12 1o0x s TYR 105 CO 0.02 -0.59 0.85 1.04 -1.34 0.00 0.00 175.55 175.53 1o0x n GLN 106 N 4.95 -4.49 -0.22 4.97 6.02 -1.26 -1.66 117.38 125.69 1o0x n GLN 106 Ca -0.10 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1o0x n GLN 106 Cb 0.47 -5.25 0.00 0.00 1.02 0.00 0.00 30.24 26.49 1o0x n GLN 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1o0x n GLY 107 N -1.61 1.41 3.58 1.08 0.00 -1.26 -5.03 105.19 103.36 1o0x n GLY 107 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1o0x n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1o0x s LEU 108 N 0.00 3.19 0.32 0.99 2.01 -0.66 -4.35 118.68 120.18 1o0x s LEU 108 Ca 0.00 -0.02 0.07 0.00 0.01 0.00 0.00 54.13 54.19 1o0x s LEU 108 Cb 0.00 -1.70 -0.03 0.00 0.01 0.00 0.00 46.19 44.47 1o0x s LEU 108 CO 0.00 0.35 0.27 -0.31 1.01 0.00 0.00 176.35 177.67 1o0x s TYR 109 N -0.76 2.94 -0.10 0.29 1.51 0.70 -1.34 117.35 120.59 1o0x s TYR 109 Ca 0.12 -0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 55.80 1o0x s TYR 109 Cb -0.11 -1.71 0.03 0.00 -0.11 0.00 0.00 41.96 40.06 1o0x s TYR 109 CO 0.02 0.26 0.31 0.20 -1.11 0.00 0.00 175.55 175.22 1o0x s GLY 110 N -3.96 -0.21 -0.11 0.71 0.00 -0.73 -4.59 107.32 98.43 1o0x s GLY 110 Ca 0.39 0.77 -0.06 0.00 0.00 0.00 0.00 44.72 45.82 1o0x s GLY 110 CO 0.26 0.64 0.26 -0.35 0.00 0.00 0.00 173.10 173.91 1o0x s ASP 111 N -0.10 -0.28 0.29 1.64 2.15 -1.26 -1.21 116.67 117.90 1o0x s ASP 111 Ca -0.02 0.55 -0.11 0.00 0.43 0.00 0.00 52.55 53.39 1o0x s ASP 111 Cb -0.03 0.45 0.01 0.00 -0.30 0.00 0.00 42.92 43.05 1o0x s ASP 111 CO 0.01 -0.16 0.53 0.00 -0.17 0.00 0.00 175.17 175.38 1o0x s ALA 112 N 1.09 -0.12 0.01 3.66 0.00 -0.87 -3.09 121.76 122.43 1o0x s ALA 112 Ca -0.08 -0.98 -0.23 0.00 0.00 0.00 0.00 51.96 50.67 1o0x s ALA 112 Cb -0.09 1.03 0.05 0.00 0.00 0.00 0.00 23.12 24.11 1o0x s ALA 112 CO -0.07 -0.87 0.52 0.00 0.00 0.00 0.00 175.76 175.34 1o0x s ALA 113 N -3.59 -1.34 0.03 0.00 0.00 -0.73 -1.68 121.76 114.47 1o0x s ALA 113 Ca 0.23 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.90 1o0x s ALA 113 Cb -0.01 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 1o0x s ALA 113 CO 0.12 -0.41 0.05 0.14 0.00 0.00 0.00 175.76 175.65 1o0x s VAL 114 N -1.85 0.14 -0.06 0.00 -7.23 -0.73 -1.05 120.40 109.62 1o0x s VAL 114 Ca -0.09 -1.14 0.05 0.00 -1.81 0.00 0.00 61.98 58.99 1o0x s VAL 114 Cb -0.01 -0.82 -0.00 0.00 0.56 0.00 0.00 36.38 36.10 1o0x s VAL 114 CO 0.03 -0.63 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.08 1o0x s THR 115 N -2.48 1.81 0.24 5.32 2.01 -1.18 -0.85 115.64 120.51 1o0x s THR 115 Ca -0.06 -0.91 0.12 0.00 0.31 0.00 0.00 61.69 61.14 1o0x s THR 115 Cb -0.02 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1o0x s THR 115 CO -0.04 0.51 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.88 1o0x s TYR 116 N 0.05 2.31 -0.12 4.92 4.12 0.28 -4.94 117.35 123.98 1o0x s TYR 116 Ca -0.08 -0.34 -0.01 0.00 0.02 0.00 0.00 57.07 56.67 1o0x s TYR 116 Cb -0.14 -1.06 -0.02 0.00 -1.52 0.00 0.00 41.96 39.21 1o0x s TYR 116 CO 0.04 0.63 -0.07 0.42 0.02 0.00 0.00 175.55 176.59 1o0x s ILE 117 N -2.16 3.59 -0.58 2.71 1.01 -1.26 -0.60 121.20 123.92 1o0x s ILE 117 Ca 0.26 -0.49 -0.27 0.00 0.00 0.00 0.00 60.65 60.16 1o0x s ILE 117 Cb -0.06 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.92 1o0x s ILE 117 CO 0.13 0.54 1.12 -0.69 0.00 0.00 0.00 174.94 176.04 1o0x s VAL 118 N -0.05 4.11 0.00 2.92 1.01 -0.13 -4.86 120.40 123.41 1o0x s VAL 118 Ca -0.00 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1o0x s VAL 118 Cb -0.13 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.57 1o0x s VAL 118 CO 0.03 -1.29 0.00 0.61 0.00 0.00 0.00 175.10 174.45 1o0x n GLY 119 N 5.09 2.28 3.33 4.51 0.00 -1.26 0.16 105.19 119.29 1o0x n GLY 119 Ca 0.06 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 1o0x n GLY 119 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o0x s GLU 120 N 0.00 1.95 0.25 1.61 0.41 -1.26 -4.81 118.70 116.84 1o0x s GLU 120 Ca 0.00 -1.02 0.02 0.00 -0.41 0.00 0.00 54.97 53.56 1o0x s GLU 120 Cb 0.00 -2.01 -0.01 0.00 -1.78 0.00 0.00 34.13 30.34 1o0x s GLU 120 CO 0.00 0.53 0.09 -2.37 -0.49 0.00 0.00 175.26 173.02 1o0x n THR 121 N 2.11 0.00 -1.44 3.63 5.66 -1.26 -2.91 114.28 120.07 1o0x n THR 121 Ca -0.16 -1.44 -0.29 0.00 -3.05 0.00 0.00 64.05 59.11 1o0x n THR 121 Cb 0.51 0.51 0.14 0.00 -1.55 0.00 0.00 70.33 69.95 1o0x n THR 121 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1o0x s ASP 122 N -2.52 3.35 0.24 1.09 -4.77 -1.26 -4.78 116.67 108.02 1o0x s ASP 122 Ca 0.12 1.05 -0.07 0.00 -3.30 0.00 0.00 52.55 50.36 1o0x s ASP 122 Cb 0.01 -1.66 0.26 0.00 -1.09 0.00 0.00 42.92 40.44 1o0x s ASP 122 CO 0.09 -2.66 1.89 -0.33 0.70 0.00 0.00 175.17 174.86 1o0x h GLU 123 N -1.57 1.12 -0.11 2.11 4.39 -2.01 -0.82 114.58 117.69 1o0x h GLU 123 Ca -0.51 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.16 1o0x h GLU 123 Cb 1.33 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.67 1o0x h GLU 123 CO 0.61 0.74 -0.22 -0.09 -1.16 0.00 0.00 179.01 178.88 1o0x h ARG 124 N 1.15 -0.28 -0.83 2.33 9.65 -1.98 0.40 114.38 124.81 1o0x h ARG 124 Ca 0.35 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.29 1o0x h ARG 124 Cb -0.03 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 1o0x h ARG 124 CO -0.11 -0.19 0.53 0.78 2.80 0.00 0.00 179.97 183.78 1o0x h GLY 125 N -0.30 1.23 1.42 2.80 0.00 -1.68 0.13 103.07 106.68 1o0x h GLY 125 Ca 0.09 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 1o0x h GLY 125 CO -0.28 0.31 -0.30 0.50 0.00 0.00 0.00 176.54 176.78 1o0x h LYS 126 N 1.00 0.65 -0.19 4.80 1.57 -0.57 -2.62 116.57 121.22 1o0x h LYS 126 Ca 0.34 -0.29 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 1o0x h LYS 126 Cb 0.07 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1o0x h LYS 126 CO -0.14 0.87 -0.57 1.49 -0.57 0.00 0.00 179.45 180.54 1o0x h GLU 127 N 0.56 0.58 0.19 3.15 4.81 0.52 -1.10 114.58 123.29 1o0x h GLU 127 Ca 0.07 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1o0x h GLU 127 Cb 0.79 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1o0x h GLU 127 CO 0.06 0.99 -0.31 1.25 -0.73 0.00 0.00 179.01 180.28 1o0x h LEU 128 N 0.44 -0.86 -0.39 1.64 5.85 -0.58 0.46 115.31 121.87 1o0x h LEU 128 Ca 0.00 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1o0x h LEU 128 Cb 1.13 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 1o0x h LEU 128 CO 0.11 -0.41 0.23 0.58 -0.34 0.00 0.00 178.44 178.61 1o0x h VAL 129 N -0.57 1.04 -0.70 1.05 2.07 -1.44 -1.05 116.25 116.66 1o0x h VAL 129 Ca 0.01 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1o0x h VAL 129 Cb 0.57 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1o0x h VAL 129 CO -0.13 0.09 0.29 -0.09 0.02 0.00 0.00 177.57 177.74 1o0x h ARG 130 N 0.47 1.04 -0.74 1.57 2.43 -0.80 -0.69 114.38 117.66 1o0x h ARG 130 Ca 0.16 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1o0x h ARG 130 Cb 0.00 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1o0x h ARG 130 CO -0.07 0.85 0.21 0.28 -1.51 0.00 0.00 179.97 179.73 1o0x h VAL 131 N 0.99 1.26 -0.37 0.20 2.07 0.24 0.42 116.25 121.06 1o0x h VAL 131 Ca 0.23 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 1o0x h VAL 131 Cb 0.20 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1o0x h VAL 131 CO -0.02 0.37 -0.16 0.74 0.02 0.00 0.00 177.57 178.52 1o0x h THR 132 N 1.10 1.28 -0.55 2.57 2.02 -0.88 0.46 112.91 118.91 1o0x h THR 132 Ca 0.23 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 1o0x h THR 132 Cb 0.34 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1o0x h THR 132 CO -0.00 0.42 0.19 -0.09 0.37 0.00 0.00 175.52 176.41 1o0x h ARG 133 N 0.56 0.85 -0.19 6.66 2.43 -0.77 -2.79 114.38 121.13 1o0x h ARG 133 Ca 0.09 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1o0x h ARG 133 Cb 0.70 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1o0x h ARG 133 CO 0.05 0.76 -0.43 0.93 -1.51 0.00 0.00 179.97 179.77 1o0x h GLU 134 N 0.76 0.46 0.00 0.20 5.08 -0.73 -2.25 114.58 118.11 1o0x h GLU 134 Ca 0.18 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1o0x h GLU 134 Cb 0.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1o0x h GLU 134 CO -0.01 0.81 -0.45 -0.24 -1.00 0.00 0.00 179.01 178.12 1o0x h VAL 135 N 0.38 1.26 -0.12 3.13 3.04 -0.85 0.13 116.25 123.22 1o0x h VAL 135 Ca 0.03 -1.58 -0.01 0.00 -1.01 0.00 0.00 66.70 64.12 1o0x h VAL 135 Cb 0.91 1.87 -0.00 0.00 -2.01 0.00 0.00 31.29 32.05 1o0x h VAL 135 CO 0.08 0.44 0.02 0.25 -1.01 0.00 0.00 177.57 177.35 1o0x h LEU 136 N 0.00 0.19 -1.04 3.16 5.85 -1.17 0.18 115.31 122.48 1o0x h LEU 136 Ca -0.00 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.48 1o0x h LEU 136 Cb 0.83 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1o0x h LEU 136 CO 0.06 0.41 0.65 -0.08 -0.34 0.00 0.00 178.44 179.13 1o0x h GLU 137 N -0.03 1.22 0.05 1.25 4.81 -0.95 -1.74 114.58 119.18 1o0x h GLU 137 Ca 0.04 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1o0x h GLU 137 Cb 0.30 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1o0x h GLU 137 CO 0.00 0.81 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.85 1o0x h LYS 138 N 1.26 -0.06 -0.65 1.92 3.64 -0.51 -1.34 116.57 120.82 1o0x h LYS 138 Ca 0.38 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.86 1o0x h LYS 138 Cb -0.03 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 1o0x h LYS 138 CO -0.11 0.18 0.28 0.00 -2.27 0.00 0.00 179.45 177.54 1o0x h ALA 139 N 0.64 0.87 -0.72 5.00 0.00 -0.78 -2.42 119.26 121.85 1o0x h ALA 139 Ca -0.01 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1o0x h ALA 139 Cb 0.27 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1o0x h ALA 139 CO 0.01 -0.13 0.20 0.82 0.00 0.00 0.00 179.25 180.15 1o0x h ILE 140 N 0.49 1.26 0.00 0.00 2.04 -1.12 -2.48 117.51 117.71 1o0x h ILE 140 Ca 0.33 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1o0x h ILE 140 Cb 0.38 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1o0x h ILE 140 CO -0.29 0.36 -0.06 0.11 0.00 0.00 0.00 178.15 178.28 1o0x h LYS 141 N 1.07 0.00 -0.14 2.37 1.57 -0.77 -2.45 116.57 118.22 1o0x h LYS 141 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1o0x h LYS 141 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1o0x h LYS 141 CO -0.00 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 1o0x n MET 142 N -3.61 2.26 -2.75 3.15 0.00 -0.95 -4.90 117.12 110.32 1o0x n MET 142 Ca -0.02 -1.86 -0.41 0.00 0.00 0.00 0.00 57.70 55.41 1o0x n MET 142 Cb 0.17 -1.47 -0.04 0.00 0.00 0.00 0.00 33.22 31.87 1o0x n MET 142 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1o0x s ILE 143 N -1.85 4.63 0.12 3.17 1.01 -0.92 -5.02 121.20 122.35 1o0x s ILE 143 Ca 0.33 2.02 -0.25 0.00 0.00 0.00 0.00 60.65 62.75 1o0x s ILE 143 Cb 0.21 -4.30 0.07 0.00 0.01 0.00 0.00 42.46 38.45 1o0x s ILE 143 CO 0.31 0.28 0.71 -1.59 0.00 0.00 0.00 174.94 174.65 1o0x s LYS 144 N 0.27 1.20 0.42 2.79 -2.85 -1.26 -3.26 119.74 117.05 1o0x s LYS 144 Ca 0.47 -0.49 -0.26 0.00 -1.00 0.00 0.00 55.97 54.70 1o0x s LYS 144 Cb -0.22 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 35.97 1o0x s LYS 144 CO 0.28 -0.53 1.37 -2.30 0.10 0.00 0.00 175.35 174.28 1o0x n PRO 145 N -0.35 2.18 0.00 1.78 -0.02 -1.26 -3.05 135.00 134.27 1o0x n PRO 145 Ca -0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1o0x n PRO 145 Cb 0.63 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1o0x n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o0x n GLY 146 N 0.66 3.32 3.91 -1.23 0.00 0.10 -4.96 105.19 107.00 1o0x n GLY 146 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1o0x n GLY 146 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1o0x s ILE 147 N -2.61 2.01 -0.03 -0.61 -4.36 -1.17 -4.68 121.20 109.75 1o0x s ILE 147 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.38 1o0x s ILE 147 Cb 0.00 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.68 1o0x s ILE 147 CO 0.00 0.00 0.01 -0.13 0.24 0.00 0.00 174.94 175.06 1o0x s ARG 148 N -5.63 2.88 0.31 0.37 0.52 -1.26 -0.75 118.95 115.38 1o0x s ARG 148 Ca 0.64 -0.53 0.07 0.00 -0.52 0.00 0.00 55.73 55.39 1o0x s ARG 148 Cb -0.10 -2.73 0.84 0.00 0.52 0.00 0.00 34.95 33.48 1o0x s ARG 148 CO 0.50 0.65 1.69 1.25 0.02 0.00 0.00 175.30 179.41 1o0x h LEU 149 N 4.55 0.40 -2.32 2.53 5.85 -1.31 0.24 115.31 125.25 1o0x h LEU 149 Ca -0.50 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1o0x h LEU 149 Cb 1.18 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1o0x h LEU 149 CO 0.57 -0.03 0.15 1.23 -0.34 0.00 0.00 178.44 180.01 1o0x h GLY 150 N 0.39 0.00 1.68 3.75 0.00 -0.85 0.17 103.07 108.21 1o0x h GLY 150 Ca 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.83 1o0x h GLY 150 CO -0.55 0.00 -0.41 -0.55 0.00 0.00 0.00 176.54 175.03 1o0x h ASP 151 N 0.00 0.38 0.07 0.19 3.32 -0.70 0.10 116.42 119.79 1o0x h ASP 151 Ca 0.06 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1o0x h ASP 151 Cb 0.35 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1o0x h ASP 151 CO -0.00 0.75 -0.04 0.58 -1.72 0.00 0.00 179.24 178.81 1o0x h VAL 152 N 0.30 1.19 -0.62 -1.35 2.07 -0.76 -0.31 116.25 116.77 1o0x h VAL 152 Ca 0.03 -1.07 0.08 0.00 0.82 0.00 0.00 66.70 66.56 1o0x h VAL 152 Cb 0.85 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 32.42 1o0x h VAL 152 CO 0.07 0.26 0.27 0.28 0.02 0.00 0.00 177.57 178.47 1o0x h SER 153 N -0.60 0.33 -0.66 0.57 0.02 -1.37 0.12 113.55 111.96 1o0x h SER 153 Ca -0.01 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1o0x h SER 153 Cb 0.50 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1o0x h SER 153 CO 0.02 0.20 0.16 -0.74 -1.14 0.00 0.00 176.83 175.33 1o0x h HIS 154 N 0.49 1.10 -0.34 3.45 6.17 -0.79 0.13 115.15 125.36 1o0x h HIS 154 Ca 0.30 -0.13 0.05 0.00 0.71 0.00 0.00 60.37 61.30 1o0x h HIS 154 Cb 0.32 -0.31 -0.05 0.00 2.52 0.00 0.00 27.41 29.90 1o0x h HIS 154 CO -0.14 0.90 0.07 0.00 0.71 0.00 0.00 177.93 179.48 1o0x h ILE 156 N 0.19 1.09 -0.08 0.00 2.04 -0.76 -1.49 117.51 118.50 1o0x h ILE 156 Ca 0.16 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1o0x h ILE 156 Cb 0.18 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1o0x h ILE 156 CO -0.21 0.07 -0.03 -0.61 0.00 0.00 0.00 178.15 177.36 1o0x h GLN 157 N -0.11 -0.02 -0.40 2.37 4.15 -0.55 -1.54 115.11 119.02 1o0x h GLN 157 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1o0x h GLN 157 Cb 0.12 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1o0x h GLN 157 CO -0.00 -0.01 0.21 1.49 -1.93 0.00 0.00 178.83 178.59 1o0x h GLU 158 N -0.02 0.42 -0.13 1.69 4.22 -0.32 -0.05 114.58 120.37 1o0x h GLU 158 Ca 0.04 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.46 1o0x h GLU 158 Cb 0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1o0x h GLU 158 CO -0.10 0.27 0.07 1.15 -2.18 0.00 0.00 179.01 178.22 1o0x h THR 159 N 0.43 1.12 -0.41 0.32 2.02 -1.07 0.93 112.91 116.24 1o0x h THR 159 Ca 0.16 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1o0x h THR 159 Cb 0.05 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1o0x h THR 159 CO -0.10 0.10 0.18 0.58 0.37 0.00 0.00 175.52 176.65 1o0x h VAL 160 N 0.09 1.19 -0.12 3.16 2.07 -1.11 -2.97 116.25 118.56 1o0x h VAL 160 Ca 0.05 -0.57 -0.14 0.00 0.82 0.00 0.00 66.70 66.85 1o0x h VAL 160 Cb 0.11 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1o0x h VAL 160 CO -0.01 0.21 -0.53 -0.33 0.02 0.00 0.00 177.57 176.93 1o0x h GLU 161 N 0.53 0.35 0.00 1.57 5.08 -0.80 -2.35 114.58 118.96 1o0x h GLU 161 Ca 0.14 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1o0x h GLU 161 Cb 0.17 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1o0x h GLU 161 CO -0.01 0.80 -0.00 0.66 -1.00 0.00 0.00 179.01 179.45 1o0x h SER 162 N 0.27 0.00 -0.55 1.42 4.64 -0.66 0.35 113.55 119.03 1o0x h SER 162 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1o0x h SER 162 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1o0x h SER 162 CO 0.09 0.00 0.00 0.52 -0.87 0.00 0.00 176.83 176.57 1o0x n VAL 163 N -3.18 1.56 -1.42 0.95 0.31 -1.02 -4.97 118.33 110.57 1o0x n VAL 163 Ca -0.03 -1.21 -0.00 0.00 -0.01 0.00 0.00 64.34 63.09 1o0x n VAL 163 Cb 0.08 0.23 -0.00 0.00 -0.91 0.00 0.00 33.84 33.24 1o0x n VAL 163 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1o0x n GLY 164 N 0.87 0.38 3.79 2.92 0.00 0.11 -5.07 105.19 108.20 1o0x n GLY 164 Ca 0.22 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 1o0x n GLY 164 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1o0x s PHE 165 N -2.00 1.85 0.11 1.61 0.40 -0.91 -4.95 117.98 114.09 1o0x s PHE 165 Ca 0.00 -0.91 0.06 0.00 -0.60 0.00 0.00 56.93 55.48 1o0x s PHE 165 Cb 0.00 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1o0x s PHE 165 CO 0.00 0.07 -0.15 -0.80 0.70 0.00 0.00 175.22 175.04 1o0x s ASN 166 N -3.97 2.05 0.07 1.36 0.01 -0.78 -3.96 114.94 109.72 1o0x s ASN 166 Ca 0.14 -0.76 -0.08 0.00 -0.71 0.00 0.00 52.86 51.45 1o0x s ASN 166 Cb 0.01 -0.08 -0.05 0.00 0.41 0.00 0.00 41.25 41.54 1o0x s ASN 166 CO 0.08 -0.10 0.36 0.68 -1.51 0.00 0.00 177.10 176.61 1o0x s VAL 167 N -1.85 5.16 0.35 1.60 -7.23 -1.26 -1.06 120.40 116.11 1o0x s VAL 167 Ca 0.07 0.32 -0.26 0.00 -1.81 0.00 0.00 61.98 60.30 1o0x s VAL 167 Cb -0.07 -3.62 -0.09 0.00 0.56 0.00 0.00 36.38 33.16 1o0x s VAL 167 CO 0.03 0.28 1.09 -0.63 -0.31 0.00 0.00 175.10 175.56 1o0x s ILE 168 N -1.40 3.54 -0.03 -0.62 -1.09 -0.14 -4.77 121.20 116.69 1o0x s ILE 168 Ca 0.32 1.33 0.07 0.00 -2.23 0.00 0.00 60.65 60.15 1o0x s ILE 168 Cb -0.14 -3.77 -0.11 0.00 -1.58 0.00 0.00 42.46 36.87 1o0x s ILE 168 CO 0.18 0.16 0.13 0.54 -1.23 0.00 0.00 174.94 174.72 1o0x n ARG 169 N 0.45 0.97 0.00 2.79 1.74 -1.26 -4.57 116.66 116.78 1o0x n ARG 169 Ca 0.02 -0.05 0.13 0.00 -0.77 0.00 0.00 57.85 57.19 1o0x n ARG 169 Cb 0.47 -1.18 0.59 0.00 -1.02 0.00 0.00 32.46 31.32 1o0x n ARG 169 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1o0x n ASP 170 N -1.91 0.01 -4.17 0.55 8.00 -1.26 -4.73 116.55 113.03 1o0x n ASP 170 Ca -0.04 0.50 -0.20 0.00 0.71 0.00 0.00 54.79 55.76 1o0x n ASP 170 Cb 0.35 -0.50 -0.13 0.00 -0.02 0.00 0.00 41.12 40.82 1o0x n ASP 170 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1o0x s TYR 171 N -3.00 1.29 0.12 1.24 2.02 -1.26 -5.15 117.35 112.61 1o0x s TYR 171 Ca 0.13 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1o0x s TYR 171 Cb 0.18 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1o0x s TYR 171 CO 0.51 0.06 0.13 0.14 -1.57 0.00 0.00 175.55 174.82 1o0x s VAL 172 N -1.09 0.11 0.95 0.71 -7.23 -1.26 -4.71 120.40 107.88 1o0x s VAL 172 Ca 0.00 -1.66 -0.14 0.00 -1.81 0.00 0.00 61.98 58.37 1o0x s VAL 172 Cb -0.09 -1.84 0.17 0.00 0.56 0.00 0.00 36.38 35.18 1o0x s VAL 172 CO 0.02 -0.51 1.18 -0.83 -0.31 0.00 0.00 175.10 174.66 1o0x s GLY 173 N -2.99 1.63 0.12 2.32 0.00 0.13 -4.81 107.32 103.73 1o0x s GLY 173 Ca 0.18 -0.77 -0.11 0.00 0.00 0.00 0.00 44.72 44.02 1o0x s GLY 173 CO -0.02 -0.12 0.28 -2.38 0.00 0.00 0.00 173.10 170.86 1o0x s HIS 174 N -3.43 0.12 0.75 1.90 -3.43 -1.02 -0.16 115.29 110.02 1o0x s HIS 174 Ca 0.67 -0.51 -0.12 0.00 -0.80 0.00 0.00 55.06 54.31 1o0x s HIS 174 Cb -0.11 0.04 0.05 0.00 -1.43 0.00 0.00 32.58 31.13 1o0x s HIS 174 CO 0.53 -0.65 1.10 0.20 -2.00 0.00 0.00 174.74 173.92 1o0x s GLY 175 N -2.88 1.79 -0.03 -1.38 0.00 -0.27 -0.68 107.32 103.87 1o0x s GLY 175 Ca 0.08 0.35 -0.06 0.00 0.00 0.00 0.00 44.72 45.09 1o0x s GLY 175 CO -0.08 0.70 0.13 0.54 0.00 0.00 0.00 173.10 174.39 1o0x s VAL 176 N -2.76 0.04 0.00 1.40 0.11 -0.84 -0.83 120.40 117.52 1o0x s VAL 176 Ca 0.63 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1o0x s VAL 176 Cb -0.18 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1o0x s VAL 176 CO 0.53 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.74 1o0x n GLY 177 N 2.35 -1.45 0.09 6.54 0.00 -1.26 -4.59 105.19 106.87 1o0x n GLY 177 Ca -0.17 0.75 0.14 0.00 0.00 0.00 0.00 46.02 46.74 1o0x n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o0x n ARG 178 N 0.00 0.52 -4.21 1.61 1.74 -1.26 -0.21 116.66 114.84 1o0x n ARG 178 Ca 0.00 -0.18 -0.18 0.00 -0.77 0.00 0.00 57.85 56.72 1o0x n ARG 178 Cb 0.00 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 1o0x n ARG 178 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1o0x s GLU 179 N -2.61 0.93 0.27 5.56 2.02 -1.26 -4.86 118.70 118.75 1o0x s GLU 179 Ca 0.25 -1.13 -0.03 0.00 0.02 0.00 0.00 54.97 54.08 1o0x s GLU 179 Cb 0.20 -0.83 0.36 0.00 0.10 0.00 0.00 34.13 33.95 1o0x s GLU 179 CO 0.51 0.17 1.84 1.25 0.02 0.00 0.00 175.26 179.04 1o0x h LEU 180 N 3.79 0.87 -7.74 1.80 5.85 -1.92 -3.39 115.31 114.57 1o0x h LEU 180 Ca -0.40 -0.13 -0.59 0.00 0.84 0.00 0.00 57.88 57.60 1o0x h LEU 180 Cb 1.19 -0.22 -0.37 0.00 0.37 0.00 0.00 40.66 41.63 1o0x h LEU 180 CO 0.47 0.80 -0.81 -1.00 -0.34 0.00 0.00 178.44 177.56 1o0x s HIS 181 N -5.38 2.05 0.37 1.25 3.76 -1.26 -4.50 115.29 111.58 1o0x s HIS 181 Ca -0.11 -1.29 0.06 0.00 -0.15 0.00 0.00 55.06 53.57 1o0x s HIS 181 Cb 0.16 -1.49 -0.07 0.00 1.11 0.00 0.00 32.58 32.29 1o0x s HIS 181 CO 0.81 -0.67 0.02 -1.21 -0.85 0.00 0.00 174.74 172.84 1o0x s GLU 182 N 1.52 1.81 0.66 1.40 2.02 -0.01 -4.97 118.70 121.13 1o0x s GLU 182 Ca 0.01 -2.01 -0.14 0.00 0.02 0.00 0.00 54.97 52.85 1o0x s GLU 182 Cb -0.15 -1.30 0.00 0.00 0.10 0.00 0.00 34.13 32.78 1o0x s GLU 182 CO -0.08 -0.09 1.09 -0.51 0.02 0.00 0.00 175.26 175.69 1o0x s ASP 183 N -3.60 5.18 0.60 -0.19 1.01 -1.26 -1.29 116.67 117.11 1o0x s ASP 183 Ca 0.35 1.92 0.01 0.00 0.71 0.00 0.00 52.55 55.54 1o0x s ASP 183 Cb 0.09 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.54 1o0x s ASP 183 CO 0.17 -1.58 0.83 -2.16 0.21 0.00 0.00 175.17 172.64 1o0x s PRO 184 N -4.26 2.30 0.48 8.23 0.04 -1.26 -4.02 135.00 136.50 1o0x s PRO 184 Ca 0.65 -0.92 -0.15 0.00 0.04 0.00 0.00 61.00 60.61 1o0x s PRO 184 Cb -0.19 -2.46 -0.08 0.00 0.04 0.00 0.00 34.50 31.82 1o0x s PRO 184 CO 0.43 -0.91 0.92 -0.65 0.04 0.00 0.00 177.00 176.83 1o0x s GLN 185 N -4.85 3.93 -0.48 4.56 -0.21 -1.26 -1.12 119.66 120.23 1o0x s GLN 185 Ca 0.60 0.84 0.04 0.00 0.02 0.00 0.00 55.36 56.86 1o0x s GLN 185 Cb -0.09 -2.21 0.17 0.00 1.00 0.00 0.00 33.01 31.88 1o0x s GLN 185 CO 0.40 -0.18 0.37 0.42 -2.12 0.00 0.00 175.29 174.18 1o0x s ILE 186 N -2.51 0.92 0.80 1.08 1.01 0.77 -4.90 121.20 118.36 1o0x s ILE 186 Ca 0.57 -3.00 -0.11 0.00 0.00 0.00 0.00 60.65 58.11 1o0x s ILE 186 Cb -0.10 -1.63 0.07 0.00 0.01 0.00 0.00 42.46 40.81 1o0x s ILE 186 CO 0.30 -1.18 1.09 -2.16 0.00 0.00 0.00 174.94 172.99 1o0x s PRO 187 N -0.26 2.06 -0.07 2.79 0.04 -1.26 0.23 135.00 138.52 1o0x s PRO 187 Ca 0.31 1.08 0.14 0.00 0.04 0.00 0.00 61.00 62.56 1o0x s PRO 187 Cb 0.01 -1.88 0.53 0.00 0.04 0.00 0.00 34.50 33.20 1o0x s PRO 187 CO -0.19 -1.75 1.40 0.09 0.04 0.00 0.00 177.00 176.59 1o0x n ASN 188 N -3.59 3.53 -3.85 6.66 3.02 -1.26 -4.41 115.26 115.36 1o0x n ASN 188 Ca 0.09 -2.28 -0.12 0.00 -0.03 0.00 0.00 54.58 52.23 1o0x n ASN 188 Cb 0.54 -0.48 -0.13 0.00 -0.61 0.00 0.00 39.78 39.09 1o0x n ASN 188 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1o0x s TYR 189 N -1.70 -0.06 -0.04 3.10 -0.85 -1.25 -2.72 117.35 113.82 1o0x s TYR 189 Ca 0.37 0.15 -0.26 0.00 -0.52 0.00 0.00 57.07 56.81 1o0x s TYR 189 Cb 0.24 0.02 0.08 0.00 0.38 0.00 0.00 41.96 42.68 1o0x s TYR 189 CO 0.19 -0.03 1.17 0.41 -1.52 0.00 0.00 175.55 175.77 1o0x n GLY 190 N 3.06 0.21 3.36 5.49 0.00 -1.26 -4.75 105.19 111.29 1o0x n GLY 190 Ca -0.12 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 1o0x n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o0x s THR 191 N -2.02 3.10 0.90 2.61 2.01 -1.26 -4.21 115.64 116.78 1o0x s THR 191 Ca 0.28 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 1o0x s THR 191 Cb -0.00 -2.32 0.11 0.00 0.01 0.00 0.00 72.50 70.30 1o0x s THR 191 CO -0.01 0.51 0.99 -2.65 -0.69 0.00 0.00 174.62 172.76 1o0x n PRO 192 N 3.75 -0.32 -1.16 4.92 -0.02 -1.25 -2.86 135.00 138.07 1o0x n PRO 192 Ca -0.18 -0.03 -0.06 0.00 -2.02 0.00 0.00 63.50 61.21 1o0x n PRO 192 Cb 0.52 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1o0x n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o0x n GLY 193 N 0.60 0.73 3.36 -1.23 0.00 -1.26 -4.87 105.19 102.53 1o0x n GLY 193 Ca 0.11 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1o0x n GLY 193 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o0x s THR 194 N -1.92 1.92 0.00 2.61 -4.23 -1.13 -5.02 115.64 107.87 1o0x s THR 194 Ca 0.00 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1o0x s THR 194 Cb 0.00 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1o0x s THR 194 CO 0.00 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1o0x n GLY 195 N -0.04 0.23 3.73 3.99 0.00 -1.26 -0.23 105.19 111.60 1o0x n GLY 195 Ca -0.10 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 1o0x n GLY 195 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1o0x n VAL 196 N 0.37 2.62 -2.56 1.61 0.24 -1.26 -4.40 118.33 114.95 1o0x n VAL 196 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.39 1o0x n VAL 196 Cb 0.00 -1.68 -0.04 0.00 -1.47 0.00 0.00 33.84 30.65 1o0x n VAL 196 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1o0x s VAL 197 N -1.19 3.98 0.32 3.34 1.01 -1.26 -1.31 120.40 125.29 1o0x s VAL 197 Ca 0.61 1.72 -0.24 0.00 0.00 0.00 0.00 61.98 64.06 1o0x s VAL 197 Cb -0.49 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 31.70 1o0x s VAL 197 CO 0.58 0.30 0.91 -0.76 0.00 0.00 0.00 175.10 176.13 1o0x s LEU 198 N -0.38 4.28 0.06 3.92 1.43 0.07 -4.90 118.68 123.17 1o0x s LEU 198 Ca 0.48 1.75 0.03 0.00 -1.03 0.00 0.00 54.13 55.36 1o0x s LEU 198 Cb -0.28 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 1o0x s LEU 198 CO 0.34 -0.09 -0.09 -0.13 0.23 0.00 0.00 176.35 176.61 1o0x s ARG 199 N -2.21 0.64 0.34 1.70 1.81 -1.26 0.03 118.95 120.01 1o0x s ARG 199 Ca 0.51 -0.90 -0.28 0.00 -1.72 0.00 0.00 55.73 53.34 1o0x s ARG 199 Cb -0.17 -0.39 -0.12 0.00 -0.45 0.00 0.00 34.95 33.81 1o0x s ARG 199 CO 0.22 0.07 1.26 1.17 -0.68 0.00 0.00 175.30 177.34 1o0x n LYS 200 N 1.16 2.06 0.00 3.54 4.81 -1.26 -2.18 118.16 126.28 1o0x n LYS 200 Ca -0.21 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1o0x n LYS 200 Cb 0.56 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1o0x n LYS 200 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1o0x n GLY 201 N 0.81 1.93 3.78 3.14 0.00 0.46 -4.86 105.19 110.45 1o0x n GLY 201 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1o0x n GLY 201 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1o0x s MET 202 N -0.79 3.88 -0.16 1.61 -1.94 -0.93 -0.41 119.30 120.57 1o0x s MET 202 Ca 0.00 1.58 -0.00 0.00 -1.71 0.00 0.00 55.69 55.56 1o0x s MET 202 Cb 0.00 -2.36 0.04 0.00 2.01 0.00 0.00 34.83 34.52 1o0x s MET 202 CO 0.00 -0.40 -0.07 -0.08 -0.01 0.00 0.00 175.02 174.46 1o0x s THR 203 N -1.69 1.16 0.05 2.05 -1.32 -1.26 -0.51 115.64 114.12 1o0x s THR 203 Ca 0.63 -0.58 0.08 0.00 -1.21 0.00 0.00 61.69 60.60 1o0x s THR 203 Cb -0.23 -1.28 -0.03 0.00 -1.51 0.00 0.00 72.50 69.45 1o0x s THR 203 CO 0.28 0.20 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.91 1o0x s LEU 204 N 1.62 2.18 -0.44 9.08 1.43 0.09 -1.98 118.68 130.66 1o0x s LEU 204 Ca 0.02 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 1o0x s LEU 204 Cb -0.15 -1.06 0.08 0.00 0.03 0.00 0.00 46.19 45.09 1o0x s LEU 204 CO -0.08 0.18 0.31 0.00 0.23 0.00 0.00 176.35 176.99 1o0x s ALA 205 N -0.83 3.39 -0.17 4.21 0.00 0.14 0.04 121.76 128.54 1o0x s ALA 205 Ca 0.09 -2.13 -0.20 0.00 0.00 0.00 0.00 51.96 49.71 1o0x s ALA 205 Cb -0.09 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1o0x s ALA 205 CO 0.02 -1.67 0.59 0.42 0.00 0.00 0.00 175.76 175.12 1o0x s ILE 206 N 1.50 5.07 -0.37 0.00 -1.09 -0.41 -2.43 121.20 123.47 1o0x s ILE 206 Ca 0.03 1.13 0.02 0.00 -2.23 0.00 0.00 60.65 59.60 1o0x s ILE 206 Cb -0.23 -3.91 0.15 0.00 -1.58 0.00 0.00 42.46 36.88 1o0x s ILE 206 CO 0.04 0.17 0.27 -1.83 -1.23 0.00 0.00 174.94 172.36 1o0x s GLU 207 N 1.55 0.66 0.12 2.79 -1.05 -1.26 -2.09 118.70 119.42 1o0x s GLU 207 Ca 0.28 -1.46 -0.31 0.00 -0.15 0.00 0.00 54.97 53.33 1o0x s GLU 207 Cb -0.16 -1.22 -0.10 0.00 -0.44 0.00 0.00 34.13 32.21 1o0x s GLU 207 CO 0.11 -1.26 1.72 -2.14 0.95 0.00 0.00 175.26 174.65 1o0x s PRO 208 N 0.86 4.17 -0.18 -4.83 0.02 -1.07 -4.64 135.00 129.32 1o0x s PRO 208 Ca 0.22 2.48 0.01 0.00 0.02 0.00 0.00 61.00 63.73 1o0x s PRO 208 Cb -0.15 -3.48 0.03 0.00 0.02 0.00 0.00 34.50 30.92 1o0x s PRO 208 CO -0.05 -0.77 -0.16 -1.64 -0.33 0.00 0.00 177.00 174.06 1o0x s MET 209 N 2.32 2.58 -0.06 5.54 -1.94 -1.26 -2.43 119.30 124.06 1o0x s MET 209 Ca 0.76 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.97 1o0x s MET 209 Cb -0.44 -2.46 0.00 0.00 2.01 0.00 0.00 34.83 33.95 1o0x s MET 209 CO 0.34 -0.29 -0.16 0.08 -0.01 0.00 0.00 175.02 174.98 1o0x s VAL 210 N 1.34 1.38 -0.08 -6.03 1.01 -0.19 -0.97 120.40 116.86 1o0x s VAL 210 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1o0x s VAL 210 Cb -0.14 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1o0x s VAL 210 CO -0.11 0.40 -0.05 -0.55 0.00 0.00 0.00 175.10 174.79 1o0x s SER 211 N 0.30 4.76 0.02 3.32 0.15 -0.22 -0.06 113.70 121.97 1o0x s SER 211 Ca -0.09 0.00 0.23 0.00 0.70 0.00 0.00 55.95 56.79 1o0x s SER 211 Cb -0.14 -1.27 0.98 0.00 -1.71 0.00 0.00 66.02 63.89 1o0x s SER 211 CO 0.04 0.35 1.75 -1.84 1.20 0.00 0.00 173.24 174.73 1o0x n GLU 212 N 2.30 0.02 0.00 5.44 0.28 0.14 -1.86 120.64 126.95 1o0x n GLU 212 Ca -0.18 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1o0x n GLU 212 Cb 0.53 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.87 1o0x n GLU 212 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1o0x n GLY 213 N 0.89 4.14 3.78 -1.84 0.00 -1.26 -4.87 105.19 106.03 1o0x n GLY 213 Ca 0.05 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1o0x n GLY 213 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o0x s ASP 214 N 1.00 6.41 0.00 1.61 -1.08 -1.26 -4.53 116.67 118.81 1o0x s ASP 214 Ca 0.00 2.95 0.26 0.00 -0.52 0.00 0.00 52.55 55.24 1o0x s ASP 214 Cb 0.00 -2.66 0.72 0.00 -1.46 0.00 0.00 42.92 39.51 1o0x s ASP 214 CO 0.00 -0.82 1.56 -2.67 0.52 0.00 0.00 175.17 173.76 1o0x n TRP 215 N 0.48 0.00 -2.49 -5.34 4.27 -1.26 -4.83 117.44 108.26 1o0x n TRP 215 Ca 0.01 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.26 1o0x n TRP 215 Cb 0.40 -0.29 -0.03 0.00 -1.36 0.00 0.00 31.31 30.03 1o0x n TRP 215 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1o0x s ARG 216 N -2.94 4.04 0.12 -2.67 0.52 -1.26 -4.34 118.95 112.43 1o0x s ARG 216 Ca 0.14 1.54 -0.00 0.00 -0.52 0.00 0.00 55.73 56.89 1o0x s ARG 216 Cb 0.18 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 1o0x s ARG 216 CO 0.64 -0.25 0.02 0.14 0.02 0.00 0.00 175.30 175.86 1o0x s VAL 217 N -1.68 0.30 0.06 3.52 -7.23 -1.26 -1.65 120.40 112.46 1o0x s VAL 217 Ca 0.60 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1o0x s VAL 217 Cb -0.22 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1o0x s VAL 217 CO 0.28 -0.60 -0.05 0.68 -0.31 0.00 0.00 175.10 175.10 1o0x s VAL 218 N -3.90 0.42 -0.15 1.32 -7.23 0.03 -4.79 120.40 106.11 1o0x s VAL 218 Ca 0.20 -1.63 -0.10 0.00 -1.81 0.00 0.00 61.98 58.64 1o0x s VAL 218 Cb 0.07 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 1o0x s VAL 218 CO -0.00 -0.80 0.20 -0.69 -0.31 0.00 0.00 175.10 173.50 1o0x s VAL 219 N -3.11 5.38 1.09 1.32 1.01 -1.26 -0.70 120.40 124.12 1o0x s VAL 219 Ca 0.03 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.19 1o0x s VAL 219 Cb 0.02 -3.51 0.24 0.00 0.00 0.00 0.00 36.38 33.13 1o0x s VAL 219 CO -0.05 0.50 1.16 -0.54 0.00 0.00 0.00 175.10 176.17 1o0x s LYS 220 N -0.20 -0.30 0.56 2.72 1.02 0.12 -4.89 119.74 118.77 1o0x s LYS 220 Ca 0.14 -0.05 0.27 0.00 0.02 0.00 0.00 55.97 56.35 1o0x s LYS 220 Cb -0.12 -1.70 1.48 0.00 -0.52 0.00 0.00 37.83 36.97 1o0x s LYS 220 CO 0.03 -3.10 2.00 1.49 -0.92 0.00 0.00 175.35 174.84 1o0x h GLU 221 N -2.15 0.00 0.00 1.68 4.22 -1.98 -0.52 114.58 115.83 1o0x h GLU 221 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1o0x h GLU 221 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1o0x h GLU 221 CO 0.41 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 176.84 1o0x n ASP 222 N -4.06 0.00 0.00 1.04 5.68 -1.26 -4.86 116.55 113.08 1o0x n ASP 222 Ca 0.07 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 1o0x n ASP 222 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1o0x n ASP 222 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1o0x n GLY 223 N 0.36 0.42 1.17 6.12 0.00 -0.20 -4.77 105.19 108.29 1o0x n GLY 223 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1o0x n GLY 223 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1o0x n TRP 224 N -2.51 0.00 -1.98 1.61 7.02 -1.26 -4.97 117.44 115.34 1o0x n TRP 224 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1o0x n TRP 224 Cb 0.12 0.25 -0.03 0.00 -2.42 0.00 0.00 31.31 29.23 1o0x n TRP 224 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1o0x s THR 225 N -1.76 3.54 -0.15 -0.99 2.01 -1.22 -4.63 115.64 112.44 1o0x s THR 225 Ca 0.00 0.65 -0.15 0.00 0.31 0.00 0.00 61.69 62.50 1o0x s THR 225 Cb 0.00 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1o0x s THR 225 CO 0.00 -0.07 0.33 0.00 -0.69 0.00 0.00 174.62 174.19 1o0x s ALA 226 N 4.22 3.56 0.13 7.40 0.00 -0.94 0.12 121.76 136.26 1o0x s ALA 226 Ca 0.75 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 52.39 1o0x s ALA 226 Cb -0.33 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1o0x s ALA 226 CO 0.30 0.07 -0.18 0.14 0.00 0.00 0.00 175.76 176.09 1o0x s VAL 227 N 0.51 1.67 0.36 0.00 -7.23 0.12 0.80 120.40 116.63 1o0x s VAL 227 Ca 0.19 -1.75 -0.27 0.00 -1.81 0.00 0.00 61.98 58.34 1o0x s VAL 227 Cb -0.13 -1.67 -0.09 0.00 0.56 0.00 0.00 36.38 35.04 1o0x s VAL 227 CO 0.05 -0.26 1.21 0.42 -0.31 0.00 0.00 175.10 176.21 1o0x s THR 228 N -1.78 3.03 0.20 5.32 -4.23 -0.56 -0.78 115.64 116.84 1o0x s THR 228 Ca 0.11 0.95 0.35 0.00 -1.18 0.00 0.00 61.69 61.92 1o0x s THR 228 Cb -0.07 -3.57 0.38 0.00 1.34 0.00 0.00 72.50 70.58 1o0x s THR 228 CO 0.05 0.16 2.06 -0.37 -0.54 0.00 0.00 174.62 175.98 1o0x h VAL 229 N 2.68 0.00 0.00 2.29 -1.51 -1.62 -2.36 116.25 115.72 1o0x h VAL 229 Ca -0.48 -0.25 -0.17 0.00 -1.23 0.00 0.00 66.70 64.56 1o0x h VAL 229 Cb 1.23 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 31.54 1o0x h VAL 229 CO 0.64 0.00 -0.81 -0.78 -1.23 0.00 0.00 177.57 175.39 1o0x h ASP 230 N 0.00 0.00 0.00 4.19 3.58 -1.88 -3.48 116.42 118.83 1o0x h ASP 230 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1o0x h ASP 230 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1o0x h ASP 230 CO 0.00 0.81 0.00 0.61 -2.88 0.00 0.00 179.24 177.78 1o0x n GLY 231 N 1.01 1.20 3.79 -0.78 0.00 -0.89 -5.00 105.19 104.53 1o0x n GLY 231 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1o0x n GLY 231 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1o0x s SER 232 N -3.10 6.30 0.48 1.61 1.04 -1.26 -4.58 113.70 114.20 1o0x s SER 232 Ca 0.00 1.99 -0.20 0.00 0.48 0.00 0.00 55.95 58.22 1o0x s SER 232 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 1o0x s SER 232 CO 0.00 -0.81 1.03 -0.13 0.98 0.00 0.00 173.24 174.31 1o0x s ARG 233 N -3.13 3.82 0.11 4.02 0.52 -1.26 -4.14 118.95 118.89 1o0x s ARG 233 Ca 0.67 1.33 0.07 0.00 -0.52 0.00 0.00 55.73 57.27 1o0x s ARG 233 Cb -0.18 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 1o0x s ARG 233 CO 0.22 -0.41 -0.16 0.00 0.02 0.00 0.00 175.30 174.97 1o0x s ALA 235 N -1.75 1.92 -0.15 0.00 0.00 0.91 -4.73 121.76 117.96 1o0x s ALA 235 Ca 0.07 -1.58 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 1o0x s ALA 235 Cb -0.07 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.01 1o0x s ALA 235 CO 0.04 0.09 0.36 -1.58 0.00 0.00 0.00 175.76 174.66 1o0x s HIS 236 N -2.75 -0.51 0.03 0.00 5.04 -1.26 -1.02 115.29 114.81 1o0x s HIS 236 Ca 0.19 1.12 0.01 0.00 -1.54 0.00 0.00 55.06 54.85 1o0x s HIS 236 Cb -0.02 0.19 -0.02 0.00 0.04 0.00 0.00 32.58 32.77 1o0x s HIS 236 CO 0.06 -0.30 -0.06 -0.06 -2.34 0.00 0.00 174.74 172.04 1o0x s PHE 237 N 1.31 0.50 -0.17 3.88 0.08 -1.02 -3.13 117.98 119.43 1o0x s PHE 237 Ca -0.09 -0.49 -0.20 0.00 0.12 0.00 0.00 56.93 56.28 1o0x s PHE 237 Cb -0.09 -0.31 0.05 0.00 -0.57 0.00 0.00 43.02 42.10 1o0x s PHE 237 CO -0.11 -0.12 0.53 -2.00 -0.10 0.00 0.00 175.22 173.43 1o0x s GLU 238 N -1.45 0.68 0.05 0.44 2.12 -0.21 -2.60 118.70 117.73 1o0x s GLU 238 Ca -0.12 0.61 0.03 0.00 0.36 0.00 0.00 54.97 55.85 1o0x s GLU 238 Cb -0.10 0.33 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 1o0x s GLU 238 CO -0.00 -0.11 -0.09 -1.01 -0.54 0.00 0.00 175.26 173.50 1o0x s HIS 239 N -0.04 0.78 -0.17 5.30 3.76 -0.89 -1.77 115.29 122.27 1o0x s HIS 239 Ca -0.03 -0.49 -0.15 0.00 -0.15 0.00 0.00 55.06 54.24 1o0x s HIS 239 Cb -0.03 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.16 1o0x s HIS 239 CO 0.02 -0.06 0.36 0.99 -0.85 0.00 0.00 174.74 175.21 1o0x s THR 240 N -1.34 5.25 0.14 1.30 2.01 -1.18 -1.29 115.64 120.52 1o0x s THR 240 Ca -0.08 0.68 0.07 0.00 0.31 0.00 0.00 61.69 62.67 1o0x s THR 240 Cb -0.10 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1o0x s THR 240 CO 0.01 0.33 -0.16 0.27 -0.69 0.00 0.00 174.62 174.38 1o0x s ILE 241 N 0.80 1.53 -0.13 1.82 -5.25 0.11 -0.85 121.20 119.22 1o0x s ILE 241 Ca 0.19 -1.78 -0.02 0.00 -0.99 0.00 0.00 60.65 58.06 1o0x s ILE 241 Cb -0.14 -1.64 -0.03 0.00 2.95 0.00 0.00 42.46 43.60 1o0x s ILE 241 CO 0.07 -0.36 -0.06 -0.22 -1.79 0.00 0.00 174.94 172.58 1o0x s LEU 242 N -2.49 3.15 -0.18 0.37 2.96 0.35 -0.74 118.68 122.10 1o0x s LEU 242 Ca 0.11 -0.13 -0.23 0.00 -0.22 0.00 0.00 54.13 53.66 1o0x s LEU 242 Cb -0.05 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1o0x s LEU 242 CO 0.04 0.22 0.71 -0.63 -1.32 0.00 0.00 176.35 175.37 1o0x s ILE 243 N 0.07 4.97 0.33 6.68 1.01 0.33 -0.46 121.20 134.13 1o0x s ILE 243 Ca -0.01 1.37 0.05 0.00 0.00 0.00 0.00 60.65 62.06 1o0x s ILE 243 Cb -0.14 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.36 1o0x s ILE 243 CO 0.03 0.09 0.42 0.35 0.00 0.00 0.00 174.94 175.83 1o0x n THR 244 N 4.65 0.00 -0.30 2.92 -2.24 0.60 -0.40 114.28 119.51 1o0x n THR 244 Ca 0.01 -1.11 0.09 0.00 -2.27 0.00 0.00 64.05 60.76 1o0x n THR 244 Cb 0.49 -0.66 0.25 0.00 -2.10 0.00 0.00 70.33 68.31 1o0x n THR 244 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1o0x h GLU 245 N 0.00 0.54 0.00 -0.78 4.57 -1.97 -3.20 114.58 113.75 1o0x h GLU 245 Ca -0.16 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1o0x h GLU 245 Cb 0.71 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1o0x h GLU 245 CO 0.23 0.36 0.00 0.09 -1.18 0.00 0.00 179.01 178.51 1o0x n ASN 246 N -4.92 0.92 0.00 1.04 3.02 -1.26 -4.54 115.26 109.51 1o0x n ASN 246 Ca 0.18 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 1o0x n ASN 246 Cb 0.50 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1o0x n ASN 246 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1o0x n GLY 247 N 0.06 2.34 2.96 7.41 0.00 -1.21 -4.75 105.19 112.00 1o0x n GLY 247 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1o0x n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o0x s ALA 248 N -1.00 -0.06 -0.04 4.61 0.00 -1.20 -0.29 121.76 123.78 1o0x s ALA 248 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.88 1o0x s ALA 248 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1o0x s ALA 248 CO 0.00 -0.09 -0.23 -2.00 0.00 0.00 0.00 175.76 173.44 1o0x s GLU 249 N -0.64 2.12 -0.04 0.00 2.12 0.39 -4.90 118.70 117.74 1o0x s GLU 249 Ca -0.07 -0.83 -0.28 0.00 0.36 0.00 0.00 54.97 54.15 1o0x s GLU 249 Cb -0.04 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 1o0x s GLU 249 CO -0.00 0.43 0.90 0.42 -0.54 0.00 0.00 175.26 176.46 1o0x s ILE 250 N -0.34 4.91 -0.12 -3.70 1.01 -1.26 -0.50 121.20 121.20 1o0x s ILE 250 Ca 0.03 1.86 0.18 0.00 0.00 0.00 0.00 60.65 62.72 1o0x s ILE 250 Cb -0.11 -4.23 -0.19 0.00 0.01 0.00 0.00 42.46 37.94 1o0x s ILE 250 CO 0.01 0.16 0.62 0.18 0.00 0.00 0.00 174.94 175.90 1o0x n LEU 251 N 4.10 0.57 -3.61 2.97 4.77 -0.03 -4.40 117.00 121.36 1o0x n LEU 251 Ca 0.04 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.86 1o0x n LEU 251 Cb 0.51 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1o0x n LEU 251 CO 0.50 0.20 2.06 0.35 -1.33 0.00 0.00 177.39 179.18 1o0x n THR 252 N -2.78 5.27 -4.23 -5.08 -2.24 -1.23 -3.38 114.28 100.61 1o0x n THR 252 Ca -0.14 -4.76 -0.19 0.00 -2.27 0.00 0.00 64.05 56.70 1o0x n THR 252 Cb 0.87 -2.03 -0.11 0.00 -2.10 0.00 0.00 70.33 66.96 1o0x n THR 252 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1o0x s LYS 253 N -1.60 0.99 0.00 -0.78 2.20 -1.26 -4.60 119.74 114.69 1o0x s LYS 253 Ca 0.47 -1.16 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1o0x s LYS 253 Cb 0.16 -0.95 0.00 0.00 -1.51 0.00 0.00 37.83 35.53 1o0x s LYS 253 CO -0.07 0.20 0.00 0.39 -0.36 0.00 0.00 175.35 175.51