#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0t h VAL 5 N 0.00 1.24 -0.38 9.51 2.07 -2.05 -1.38 116.25 125.25 1x0t h VAL 5 Ca 0.00 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.59 1x0t h VAL 5 Cb 0.00 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1x0t h VAL 5 CO 0.00 0.26 -0.19 0.11 0.02 0.00 0.00 177.57 177.77 1x0t h LYS 6 N 0.22 0.81 -0.30 1.57 1.79 -2.05 -2.11 116.57 116.49 1x0t h LYS 6 Ca 0.07 -0.35 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1x0t h LYS 6 Cb 0.36 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1x0t h LYS 6 CO 0.01 0.98 0.18 -0.09 -1.08 0.00 0.00 179.45 179.45 1x0t h ARG 7 N 0.61 0.40 -0.24 3.15 2.43 -1.98 -0.04 114.38 118.71 1x0t h ARG 7 Ca 0.09 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1x0t h ARG 7 Cb 0.74 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1x0t h ARG 7 CO 0.06 0.30 -0.13 0.00 -1.51 0.00 0.00 179.97 178.68 1x0t h ARG 8 N 0.39 0.40 -0.31 0.20 3.08 -1.25 -1.75 114.38 115.14 1x0t h ARG 8 Ca 0.11 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1x0t h ARG 8 Cb -0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1x0t h ARG 8 CO -0.02 0.54 -0.11 0.22 -1.07 0.00 0.00 179.97 179.53 1x0t h ASP 9 N 0.38 0.63 -0.60 7.04 3.58 -0.90 -1.18 116.42 125.37 1x0t h ASP 9 Ca 0.07 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 1x0t h ASP 9 Cb 0.47 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 1x0t h ASP 9 CO 0.03 0.88 0.30 -0.50 -2.88 0.00 0.00 179.24 177.06 1x0t h TRP 10 N 0.39 0.86 -0.56 0.28 6.55 -0.74 -0.86 115.95 121.87 1x0t h TRP 10 Ca 0.07 -0.04 -0.09 0.00 0.95 0.00 0.00 58.89 59.79 1x0t h TRP 10 Cb 0.62 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.63 1x0t h TRP 10 CO 0.06 0.65 -0.00 0.93 -1.05 0.00 0.00 178.44 179.02 1x0t h GLU 11 N 0.82 0.97 -0.40 0.49 5.08 -1.25 -1.04 114.58 119.25 1x0t h GLU 11 Ca 0.21 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1x0t h GLU 11 Cb 0.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1x0t h GLU 11 CO -0.03 0.95 0.07 -0.22 -1.00 0.00 0.00 179.01 178.79 1x0t h LYS 12 N 0.89 0.65 -0.59 2.33 3.64 -0.91 -1.44 116.57 121.14 1x0t h LYS 12 Ca 0.16 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1x0t h LYS 12 Cb 0.52 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1x0t h LYS 12 CO 0.03 0.69 0.12 0.87 -2.27 0.00 0.00 179.45 178.89 1x0t h LYS 13 N 0.50 0.96 -0.49 1.90 1.57 -1.00 -2.38 116.57 117.64 1x0t h LYS 13 Ca 0.12 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 1x0t h LYS 13 Cb 0.35 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1x0t h LYS 13 CO 0.01 0.90 -0.09 1.49 -0.57 0.00 0.00 179.45 181.19 1x0t h GLU 14 N 0.87 0.88 -0.71 3.15 4.57 -1.09 -1.67 114.58 120.58 1x0t h GLU 14 Ca 0.18 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1x0t h GLU 14 Cb 0.39 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1x0t h GLU 14 CO 0.01 0.93 0.25 0.87 -1.18 0.00 0.00 179.01 179.90 1x0t h LYS 15 N 0.80 1.07 -0.49 1.92 1.57 -1.09 -0.07 116.57 120.29 1x0t h LYS 15 Ca 0.13 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1x0t h LYS 15 Cb 0.60 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1x0t h LYS 15 CO 0.04 0.89 -0.21 0.87 -0.57 0.00 0.00 179.45 180.47 1x0t h LYS 16 N 1.04 1.00 -0.71 3.15 1.57 -1.16 -1.25 116.57 120.21 1x0t h LYS 16 Ca 0.24 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1x0t h LYS 16 Cb 0.24 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1x0t h LYS 16 CO -0.01 1.11 0.36 0.87 -0.57 0.00 0.00 179.45 181.20 1x0t h LYS 17 N 0.86 1.00 -0.53 3.15 1.79 -0.86 -1.01 116.57 120.97 1x0t h LYS 17 Ca 0.11 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1x0t h LYS 17 Cb 0.79 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 1x0t h LYS 17 CO 0.07 0.77 0.28 0.82 -1.08 0.00 0.00 179.45 180.31 1x0t h ILE 18 N 0.98 1.18 -0.48 1.86 1.08 -0.82 -0.30 117.51 121.02 1x0t h ILE 18 Ca 0.25 -0.48 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1x0t h ILE 18 Cb 0.09 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 1x0t h ILE 18 CO -0.03 0.20 0.29 0.00 -0.69 0.00 0.00 178.15 177.91 1x0t h ALA 19 N 1.12 0.62 -0.64 1.87 0.00 -0.75 0.54 119.26 122.01 1x0t h ALA 19 Ca 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1x0t h ALA 19 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1x0t h ALA 19 CO -0.03 -0.02 0.14 0.82 0.00 0.00 0.00 179.25 180.17 1x0t h ILE 20 N 0.58 1.25 -0.52 0.00 2.04 -0.86 -0.71 117.51 119.28 1x0t h ILE 20 Ca 0.19 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1x0t h ILE 20 Cb 0.01 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1x0t h ILE 20 CO -0.09 0.35 0.30 -0.33 0.00 0.00 0.00 178.15 178.39 1x0t h GLU 21 N 0.96 0.72 -0.53 2.37 4.39 -0.29 -1.11 114.58 121.09 1x0t h GLU 21 Ca 0.20 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 1x0t h GLU 21 Cb 0.36 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1x0t h GLU 21 CO 0.00 0.54 0.11 0.00 -1.16 0.00 0.00 179.01 178.51 1x0t h ARG 22 N 0.70 0.86 -0.55 2.33 3.08 -0.56 -1.95 114.38 118.29 1x0t h ARG 22 Ca 0.19 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1x0t h ARG 22 Cb 0.02 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1x0t h ARG 22 CO -0.03 0.82 0.34 0.82 -1.07 0.00 0.00 179.97 180.85 1x0t h ILE 23 N 0.75 1.16 -0.80 2.04 2.04 -0.85 -0.12 117.51 121.73 1x0t h ILE 23 Ca 0.16 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1x0t h ILE 23 Cb 0.36 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1x0t h ILE 23 CO 0.01 0.16 0.47 -0.78 0.00 0.00 0.00 178.15 178.00 1x0t h ASP 24 N 0.74 0.97 -0.43 1.72 3.58 -1.02 -1.77 116.42 120.21 1x0t h ASP 24 Ca 0.20 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 1x0t h ASP 24 Cb -0.03 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.76 1x0t h ASP 24 CO -0.04 0.77 -0.06 0.74 -2.88 0.00 0.00 179.24 177.77 1x0t h THR 25 N 1.10 1.27 -0.69 2.25 2.02 -0.90 -1.29 112.91 116.67 1x0t h THR 25 Ca 0.28 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 1x0t h THR 25 Cb -0.01 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1x0t h THR 25 CO -0.05 0.39 0.24 -0.07 0.37 0.00 0.00 175.52 176.40 1x0t h LEU 26 N 0.63 0.96 -0.59 2.58 3.38 -0.78 -0.83 115.31 120.67 1x0t h LEU 26 Ca 0.12 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1x0t h LEU 26 Cb 0.57 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1x0t h LEU 26 CO 0.03 0.87 -0.63 -0.26 0.09 0.00 0.00 178.44 178.55 1x0t h PHE 27 N 1.01 0.37 -0.49 1.13 0.04 -1.23 0.18 116.94 117.94 1x0t h PHE 27 Ca 0.23 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 1x0t h PHE 27 Cb 0.24 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1x0t h PHE 27 CO 0.02 0.84 0.19 1.15 -0.60 0.00 0.00 178.31 179.90 1x0t h THR 28 N 0.21 1.22 -0.53 -1.55 2.02 -0.73 -0.51 112.91 113.03 1x0t h THR 28 Ca -0.01 -0.68 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 1x0t h THR 28 Cb 1.16 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1x0t h THR 28 CO 0.10 0.26 -0.05 -0.07 0.37 0.00 0.00 175.52 176.13 1x0t h LEU 29 N 0.66 0.96 -0.47 2.58 3.38 -0.99 -2.39 115.31 119.05 1x0t h LEU 29 Ca 0.16 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1x0t h LEU 29 Cb 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1x0t h LEU 29 CO -0.01 1.06 0.22 0.00 0.09 0.00 0.00 178.44 179.80 1x0t h ALA 30 N 0.94 0.59 -0.85 1.53 0.00 -0.57 -1.59 119.26 119.31 1x0t h ALA 30 Ca 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1x0t h ALA 30 Cb 0.59 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1x0t h ALA 30 CO 0.04 -0.14 0.42 1.49 0.00 0.00 0.00 179.25 181.05 1x0t h GLU 31 N 0.43 1.21 -0.23 0.00 4.81 -0.93 0.14 114.58 120.01 1x0t h GLU 31 Ca 0.21 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1x0t h GLU 31 Cb 0.14 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1x0t h GLU 31 CO -0.16 0.92 -0.23 0.00 -0.73 0.00 0.00 179.01 178.81 1x0t h ARG 32 N 1.20 0.43 0.00 1.92 3.08 -0.89 -3.24 114.38 116.88 1x0t h ARG 32 Ca 0.29 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1x0t h ARG 32 Cb 0.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1x0t h ARG 32 CO -0.04 0.64 -0.96 1.33 -1.07 0.00 0.00 179.97 179.87 1x0t n VAL 33 N -4.14 0.00 -0.18 2.04 0.24 -0.65 -4.67 118.33 110.97 1x0t n VAL 33 Ca -0.00 -0.02 -0.01 0.00 -2.04 0.00 0.00 64.34 62.26 1x0t n VAL 33 Cb 0.38 1.00 0.08 0.00 -1.47 0.00 0.00 33.84 33.83 1x0t n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x0t h ALA 34 N 2.87 0.58 -0.50 2.33 0.00 -0.75 0.49 119.26 124.27 1x0t h ALA 34 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1x0t h ALA 34 Cb 0.48 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1x0t h ALA 34 CO 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 179.25 178.94 1x0t h ARG 35 N 0.19 0.81 0.08 0.00 3.08 -1.83 -2.75 114.38 113.95 1x0t h ARG 35 Ca 0.28 -0.21 -0.35 0.00 0.07 0.00 0.00 59.98 59.77 1x0t h ARG 35 Cb 0.41 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1x0t h ARG 35 CO -0.40 0.80 -2.03 0.98 -1.07 0.00 0.00 179.97 178.24 1x0t n TYR 36 N -4.23 0.96 -3.38 3.04 9.36 -1.09 -4.69 117.16 117.13 1x0t n TYR 36 Ca 0.03 0.23 -0.26 0.00 3.32 0.00 0.00 57.90 61.22 1x0t n TYR 36 Cb 0.28 -1.14 -0.08 0.00 -0.63 0.00 0.00 39.34 37.77 1x0t n TYR 36 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1x0t n SER 37 N -3.33 1.48 -0.02 2.98 7.64 0.17 -4.96 113.62 117.58 1x0t n SER 37 Ca -0.31 -2.93 0.10 0.00 1.01 0.00 0.00 58.87 56.74 1x0t n SER 37 Cb 1.05 -0.65 0.51 0.00 -1.01 0.00 0.00 64.21 64.10 1x0t n SER 37 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1x0t h PRO 38 N 4.51 0.37 -0.50 1.43 0.13 -1.63 -1.46 132.00 134.84 1x0t h PRO 38 Ca 0.15 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.17 1x0t h PRO 38 Cb 0.80 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 1x0t h PRO 38 CO 0.59 0.24 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.10 1x0t h ASP 39 N 0.38 0.88 -0.46 1.44 3.32 -1.93 -0.77 116.42 119.29 1x0t h ASP 39 Ca 0.21 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 1x0t h ASP 39 Cb 0.35 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1x0t h ASP 39 CO -0.05 0.98 -0.22 0.25 -1.72 0.00 0.00 179.24 178.48 1x0t h LEU 40 N 0.82 1.00 -0.87 1.55 5.85 -1.67 -1.81 115.31 120.18 1x0t h LEU 40 Ca 0.14 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1x0t h LEU 40 Cb 0.58 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1x0t h LEU 40 CO 0.04 1.17 0.38 0.00 -0.34 0.00 0.00 178.44 179.69 1x0t h ALA 41 N 0.90 1.11 -0.77 1.25 0.00 -1.02 -1.03 119.26 119.69 1x0t h ALA 41 Ca 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1x0t h ALA 41 Cb 0.79 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1x0t h ALA 41 CO 0.07 0.66 0.33 -0.22 0.00 0.00 0.00 179.25 180.09 1x0t h LYS 42 N 1.19 1.13 -0.50 0.00 3.64 -0.91 -0.77 116.57 120.35 1x0t h LYS 42 Ca 0.28 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1x0t h LYS 42 Cb 0.14 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1x0t h LYS 42 CO -0.03 0.90 0.25 -0.09 -2.27 0.00 0.00 179.45 178.21 1x0t h ARG 43 N 1.11 0.71 -0.60 1.90 2.43 -0.51 -1.02 114.38 118.39 1x0t h ARG 43 Ca 0.26 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1x0t h ARG 43 Cb 0.17 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1x0t h ARG 43 CO -0.03 0.57 0.15 1.88 -1.51 0.00 0.00 179.97 181.04 1x0t h TYR 44 N 0.66 0.97 -0.49 2.20 0.05 -0.69 -0.91 116.97 118.76 1x0t h TYR 44 Ca 0.17 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1x0t h TYR 44 Cb 0.09 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 1x0t h TYR 44 CO -0.01 0.80 0.23 0.28 -1.05 0.00 0.00 178.16 178.41 1x0t h VAL 45 N 0.90 1.20 -0.35 -2.88 2.07 -0.80 -1.59 116.25 114.80 1x0t h VAL 45 Ca 0.19 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1x0t h VAL 45 Cb 0.32 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1x0t h VAL 45 CO -0.00 0.22 -0.11 -0.33 0.02 0.00 0.00 177.57 177.37 1x0t h GLU 46 N 0.65 0.60 -0.48 1.57 5.08 -0.74 -0.48 114.58 120.78 1x0t h GLU 46 Ca 0.17 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1x0t h GLU 46 Cb 0.14 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1x0t h GLU 46 CO -0.02 0.70 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.61 1x0t h LEU 47 N 0.55 0.77 -0.71 1.33 3.38 -0.85 -0.56 115.31 119.22 1x0t h LEU 47 Ca 0.10 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1x0t h LEU 47 Cb 0.52 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1x0t h LEU 47 CO 0.03 0.85 -0.05 0.00 0.09 0.00 0.00 178.44 179.35 1x0t h ALA 48 N 1.24 0.91 -0.03 1.53 0.00 -0.64 -2.10 119.26 120.17 1x0t h ALA 48 Ca 0.14 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1x0t h ALA 48 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1x0t h ALA 48 CO 0.02 0.64 -0.42 -0.07 0.00 0.00 0.00 179.25 179.42 1x0t h LEU 49 N 0.85 0.07 -0.25 0.00 3.38 -0.58 -1.36 115.31 117.42 1x0t h LEU 49 Ca 0.15 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1x0t h LEU 49 Cb 0.58 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1x0t h LEU 49 CO 0.03 0.48 -0.05 -0.33 0.09 0.00 0.00 178.44 178.66 1x0t h GLU 50 N 0.06 0.47 -0.68 1.13 5.08 -0.72 -2.10 114.58 117.82 1x0t h GLU 50 Ca 0.00 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1x0t h GLU 50 Cb 0.77 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1x0t h GLU 50 CO 0.06 0.69 0.42 0.82 -1.00 0.00 0.00 179.01 179.99 1x0t h ILE 51 N 0.22 1.19 -0.49 3.13 2.04 -1.14 -0.70 117.51 121.77 1x0t h ILE 51 Ca 0.06 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.56 1x0t h ILE 51 Cb 0.51 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1x0t h ILE 51 CO 0.02 0.20 0.21 -0.61 0.00 0.00 0.00 178.15 177.97 1x0t h GLN 52 N 0.92 0.41 -0.47 2.37 4.15 -1.12 0.51 115.11 121.87 1x0t h GLN 52 Ca 0.24 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 1x0t h GLN 52 Cb -0.04 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1x0t h GLN 52 CO -0.05 0.27 0.12 -0.22 -1.93 0.00 0.00 178.83 177.02 1x0t h LYS 53 N 0.42 0.76 -0.28 1.69 1.63 -0.86 0.93 116.57 120.86 1x0t h LYS 53 Ca 0.22 -0.18 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 1x0t h LYS 53 Cb 0.18 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1x0t h LYS 53 CO -0.19 0.74 -0.22 0.87 -3.45 0.00 0.00 179.45 177.21 1x0t h LYS 54 N 0.64 0.63 0.00 1.90 1.57 -0.76 -3.25 116.57 117.30 1x0t h LYS 54 Ca 0.15 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1x0t h LYS 54 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1x0t h LYS 54 CO 0.00 0.91 -0.46 0.00 -0.57 0.00 0.00 179.45 179.33 1x0t n ALA 55 N -2.47 3.01 -3.31 3.86 0.00 0.14 -4.97 120.51 116.77 1x0t n ALA 55 Ca -0.04 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 53.00 1x0t n ALA 55 Cb 0.42 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 18.74 1x0t n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x0t n LYS 56 N -1.84 -4.76 -4.50 0.00 4.76 0.30 -4.89 118.16 107.23 1x0t n LYS 56 Ca 0.05 0.83 -0.24 0.00 -2.87 0.00 0.00 58.31 56.08 1x0t n LYS 56 Cb 0.39 -5.75 -0.11 0.00 -1.84 0.00 0.00 35.03 27.73 1x0t n LYS 56 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1x0t s VAL 57 N -3.36 1.57 0.06 -0.18 -7.23 -1.09 -5.07 120.40 105.11 1x0t s VAL 57 Ca 0.18 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.27 1x0t s VAL 57 Cb -0.02 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1x0t s VAL 57 CO 0.71 -0.06 0.29 -0.54 -0.31 0.00 0.00 175.10 175.19 1x0t s LYS 58 N -3.79 3.57 0.14 4.82 -0.14 -1.26 -4.82 119.74 118.25 1x0t s LYS 58 Ca 0.35 -0.15 -0.30 0.00 -1.36 0.00 0.00 55.97 54.51 1x0t s LYS 58 Cb 0.08 -3.00 -0.07 0.00 -1.68 0.00 0.00 37.83 33.16 1x0t s LYS 58 CO 0.16 0.58 1.13 0.42 -0.76 0.00 0.00 175.35 176.88 1x0t s ILE 59 N -1.46 3.93 0.42 2.17 1.01 -1.26 -4.95 121.20 121.05 1x0t s ILE 59 Ca 0.33 1.56 -0.23 0.00 0.00 0.00 0.00 60.65 62.32 1x0t s ILE 59 Cb -0.13 -4.00 -0.12 0.00 0.01 0.00 0.00 42.46 38.22 1x0t s ILE 59 CO 0.21 0.22 0.71 -2.65 0.00 0.00 0.00 174.94 173.44 1x0t n PRO 60 N 2.85 0.81 -0.28 2.79 -0.02 -1.26 -4.55 135.00 135.35 1x0t n PRO 60 Ca 0.05 0.29 0.14 0.00 -2.02 0.00 0.00 63.50 61.96 1x0t n PRO 60 Cb 0.46 -1.68 0.40 0.00 -0.02 0.00 0.00 33.50 32.67 1x0t n PRO 60 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x0t h ARG 61 N 1.04 0.61 0.00 -0.52 2.47 -2.00 -0.34 114.38 115.65 1x0t h ARG 61 Ca -0.41 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1x0t h ARG 61 Cb 1.38 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1x0t h ARG 61 CO 0.53 0.41 0.00 0.36 0.56 0.00 0.00 179.97 181.83 1x0t n LYS 62 N -4.58 0.04 0.00 0.04 2.85 -1.26 -3.40 118.16 111.85 1x0t n LYS 62 Ca 0.19 0.30 0.00 0.00 -1.05 0.00 0.00 58.31 57.75 1x0t n LYS 62 Cb 0.54 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 1x0t n LYS 62 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1x0t n TRP 63 N -1.67 0.00 -0.09 5.58 7.02 -0.27 -4.78 117.44 123.22 1x0t n TRP 63 Ca 0.03 0.00 0.25 0.00 -1.02 0.00 0.00 57.50 56.76 1x0t n TRP 63 Cb 0.17 0.00 0.71 0.00 -2.42 0.00 0.00 31.31 29.78 1x0t n TRP 63 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1x0t h LYS 64 N 0.00 0.00 -0.14 -0.99 5.09 -1.20 -0.78 116.57 118.55 1x0t h LYS 64 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1x0t h LYS 64 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1x0t h LYS 64 CO 0.00 0.00 0.00 0.54 -2.09 0.00 0.00 179.45 177.90 1x0t n ARG 65 N -4.24 2.08 -0.38 0.07 1.74 -1.26 -4.58 116.66 110.09 1x0t n ARG 65 Ca 0.14 -1.90 0.05 0.00 -0.77 0.00 0.00 57.85 55.37 1x0t n ARG 65 Cb 0.81 -1.42 0.21 0.00 -1.02 0.00 0.00 32.46 31.04 1x0t n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1x0t n ARG 66 N 1.23 2.65 -3.84 5.56 5.12 -0.30 -4.89 116.66 122.21 1x0t n ARG 66 Ca 0.14 -1.64 -0.11 0.00 -1.93 0.00 0.00 57.85 54.32 1x0t n ARG 66 Cb 0.54 -1.67 -0.08 0.00 -1.16 0.00 0.00 32.46 30.08 1x0t n ARG 66 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1x0t s TYR 67 N -1.75 0.03 -0.11 -1.55 -0.85 -1.26 -0.74 117.35 111.10 1x0t s TYR 67 Ca 0.29 -0.21 -0.28 0.00 -0.52 0.00 0.00 57.07 56.36 1x0t s TYR 67 Cb 0.19 -0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.50 1x0t s TYR 67 CO 0.13 -0.42 0.92 0.00 -1.52 0.00 0.00 175.55 174.66 1x0t h LYS 69 N 7.11 0.00 0.00 0.00 1.57 -1.96 0.12 116.57 123.42 1x0t h LYS 69 Ca -0.32 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 1x0t h LYS 69 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1x0t h LYS 69 CO 0.83 0.00 -0.63 -0.09 -0.57 0.00 0.00 179.45 178.99 1x0t h ARG 70 N 0.00 0.00 0.00 3.15 2.43 -1.97 -3.42 114.38 114.57 1x0t h ARG 70 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1x0t h ARG 70 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1x0t h ARG 70 CO 0.00 0.24 -0.93 0.00 -1.51 0.00 0.00 179.97 177.77 1x0t n HIS 72 N -1.53 0.00 -2.41 0.00 8.25 0.43 -4.98 115.22 114.98 1x0t n HIS 72 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 1x0t n HIS 72 Cb 0.34 -1.64 -0.02 0.00 1.12 0.00 0.00 29.99 29.79 1x0t n HIS 72 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1x0t s THR 73 N -2.01 3.61 -0.00 1.59 -1.32 -1.26 -4.52 115.64 111.72 1x0t s THR 73 Ca 0.00 0.97 -0.30 0.00 -1.21 0.00 0.00 61.69 61.15 1x0t s THR 73 Cb 0.00 -3.39 -0.04 0.00 -1.51 0.00 0.00 72.50 67.56 1x0t s THR 73 CO 0.00 -0.24 1.08 0.12 -2.21 0.00 0.00 174.62 173.37 1x0t s PHE 74 N -1.97 3.51 -0.14 9.09 5.36 -1.26 -1.51 117.98 131.06 1x0t s PHE 74 Ca 0.68 1.50 -0.19 0.00 -0.96 0.00 0.00 56.93 57.97 1x0t s PHE 74 Cb -0.18 -3.26 -0.04 0.00 -0.34 0.00 0.00 43.02 39.20 1x0t s PHE 74 CO 0.24 -0.59 0.52 -0.51 -1.46 0.00 0.00 175.22 173.41 1x0t s LEU 75 N 1.32 4.24 -0.19 6.12 1.43 0.08 -4.95 118.68 126.73 1x0t s LEU 75 Ca 0.54 0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 54.46 1x0t s LEU 75 Cb -0.24 -2.75 0.05 0.00 0.03 0.00 0.00 46.19 43.28 1x0t s LEU 75 CO 0.26 -0.07 -0.04 -0.63 0.23 0.00 0.00 176.35 176.10 1x0t s ILE 76 N 0.96 1.14 0.09 -0.59 1.01 -1.26 -4.83 121.20 117.72 1x0t s ILE 76 Ca 0.27 -0.79 -0.35 0.00 0.00 0.00 0.00 60.65 59.78 1x0t s ILE 76 Cb -0.15 -1.40 -0.15 0.00 0.01 0.00 0.00 42.46 40.77 1x0t s ILE 76 CO 0.11 0.01 1.51 -2.65 0.00 0.00 0.00 174.94 173.92 1x0t n PRO 77 N 4.84 1.68 0.00 2.79 -0.02 -1.26 -1.34 135.00 141.69 1x0t n PRO 77 Ca -0.12 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1x0t n PRO 77 Cb 0.47 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1x0t n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x0t n GLY 78 N 3.16 2.82 0.08 -1.23 0.00 -0.66 -4.80 105.19 104.57 1x0t n GLY 78 Ca 0.18 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 1x0t n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x0t h VAL 79 N 0.00 0.88 0.00 1.61 2.07 -1.66 -3.44 116.25 115.71 1x0t h VAL 79 Ca 0.00 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1x0t h VAL 79 Cb 0.00 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1x0t h VAL 79 CO 0.00 0.30 -0.35 -0.46 0.02 0.00 0.00 177.57 177.08 1x0t n ASN 80 N -4.56 0.00 -3.79 0.57 6.94 -0.78 -5.02 115.26 108.63 1x0t n ASN 80 Ca -0.18 -1.69 -0.13 0.00 -0.02 0.00 0.00 54.58 52.56 1x0t n ASN 80 Cb 0.47 -0.14 -0.13 0.00 -2.36 0.00 0.00 39.78 37.62 1x0t n ASN 80 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x0t s ALA 81 N 0.00 -0.42 -0.18 -2.53 0.00 -1.11 -0.55 121.76 116.97 1x0t s ALA 81 Ca 0.00 0.58 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 1x0t s ALA 81 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1x0t s ALA 81 CO 0.00 -0.11 -0.02 0.50 0.00 0.00 0.00 175.76 176.13 1x0t s ARG 82 N 0.41 3.62 -0.18 0.00 3.52 -0.55 -1.65 118.95 124.10 1x0t s ARG 82 Ca -0.03 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.05 1x0t s ARG 82 Cb -0.04 -2.99 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1x0t s ARG 82 CO -0.02 0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 174.47 1x0t s VAL 83 N 0.73 2.17 0.10 7.11 1.01 -1.26 -0.86 120.40 129.40 1x0t s VAL 83 Ca -0.01 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1x0t s VAL 83 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1x0t s VAL 83 CO 0.02 0.52 -0.07 -0.13 0.00 0.00 0.00 175.10 175.44 1x0t s ARG 84 N 1.30 0.85 -0.04 2.72 1.81 -0.41 -4.99 118.95 120.20 1x0t s ARG 84 Ca 0.05 -1.31 0.07 0.00 -1.72 0.00 0.00 55.73 52.81 1x0t s ARG 84 Cb -0.13 -0.27 -0.02 0.00 -0.45 0.00 0.00 34.95 34.08 1x0t s ARG 84 CO -0.12 0.00 -0.24 -0.51 -0.68 0.00 0.00 175.30 173.75 1x0t s LEU 85 N -2.96 2.16 0.02 2.53 1.02 -1.26 0.46 118.68 120.66 1x0t s LEU 85 Ca 0.11 -0.44 0.08 0.00 0.02 0.00 0.00 54.13 53.90 1x0t s LEU 85 Cb 0.04 -1.39 -0.02 0.00 0.02 0.00 0.00 46.19 44.84 1x0t s LEU 85 CO -0.04 0.30 -0.25 -0.13 0.02 0.00 0.00 176.35 176.25 1x0t s ARG 86 N -0.46 1.80 -0.01 1.70 1.81 -0.53 -4.98 118.95 118.29 1x0t s ARG 86 Ca 0.05 -0.99 0.01 0.00 -1.72 0.00 0.00 55.73 53.09 1x0t s ARG 86 Cb -0.11 -1.87 0.02 0.00 -0.45 0.00 0.00 34.95 32.53 1x0t s ARG 86 CO 0.01 0.50 0.94 -2.37 -0.68 0.00 0.00 175.30 173.69 1x0t n THR 87 N 2.07 0.13 -0.27 0.02 5.66 -1.26 -1.23 114.28 119.40 1x0t n THR 87 Ca -0.16 -0.15 0.03 0.00 -3.05 0.00 0.00 64.05 60.72 1x0t n THR 87 Cb 0.52 0.53 0.17 0.00 -1.55 0.00 0.00 70.33 69.99 1x0t n THR 87 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1x0t h LYS 88 N 0.00 0.62 0.00 1.09 1.63 -2.00 -3.43 116.57 114.48 1x0t h LYS 88 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1x0t h LYS 88 Cb 1.31 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1x0t h LYS 88 CO 0.00 0.41 0.00 0.54 -3.45 0.00 0.00 179.45 176.95 1x0t n ARG 89 N -4.85 0.00 -2.56 1.90 5.12 -1.26 -5.04 116.66 109.97 1x0t n ARG 89 Ca 0.13 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.63 1x0t n ARG 89 Cb 0.32 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.60 1x0t n ARG 89 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1x0t s MET 90 N 1.71 4.37 0.16 5.56 1.75 -1.26 -4.96 119.30 126.63 1x0t s MET 90 Ca 0.00 1.54 -0.32 0.00 -1.25 0.00 0.00 55.69 55.67 1x0t s MET 90 Cb 0.00 -3.56 -0.11 0.00 2.84 0.00 0.00 34.83 34.00 1x0t s MET 90 CO 0.00 -0.41 1.68 -2.14 -0.65 0.00 0.00 175.02 173.50 1x0t s PRO 91 N 2.23 4.17 0.06 4.11 0.02 -1.26 -4.62 135.00 139.70 1x0t s PRO 91 Ca 0.52 2.48 -0.10 0.00 0.02 0.00 0.00 61.00 63.93 1x0t s PRO 91 Cb -0.21 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 31.06 1x0t s PRO 91 CO 0.19 -0.71 0.22 -3.38 -0.33 0.00 0.00 177.00 172.98 1x0t s HIS 92 N 1.61 0.05 -0.14 6.54 -3.43 -0.37 -1.61 115.29 117.95 1x0t s HIS 92 Ca 0.74 -0.33 -0.14 0.00 -0.80 0.00 0.00 55.06 54.52 1x0t s HIS 92 Cb -0.46 -0.01 -0.05 0.00 -1.43 0.00 0.00 32.58 30.63 1x0t s HIS 92 CO 0.32 -0.49 0.33 0.08 -2.00 0.00 0.00 174.74 172.99 1x0t s VAL 93 N -3.02 5.27 -0.28 -5.38 1.01 0.20 -1.46 120.40 116.73 1x0t s VAL 93 Ca -0.02 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1x0t s VAL 93 Cb 0.01 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1x0t s VAL 93 CO -0.06 0.40 0.01 -0.69 0.00 0.00 0.00 175.10 174.76 1x0t s VAL 94 N 0.31 3.29 -0.22 2.92 1.01 0.17 -0.88 120.40 127.00 1x0t s VAL 94 Ca 0.19 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1x0t s VAL 94 Cb -0.14 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1x0t s VAL 94 CO 0.06 0.05 -0.01 -0.63 0.00 0.00 0.00 175.10 174.57 1x0t s ILE 95 N 1.36 3.67 -0.22 2.22 1.09 0.76 -1.29 121.20 128.80 1x0t s ILE 95 Ca -0.01 -0.39 -0.06 0.00 -1.10 0.00 0.00 60.65 59.10 1x0t s ILE 95 Cb -0.18 -2.68 -0.02 0.00 -1.06 0.00 0.00 42.46 38.51 1x0t s ILE 95 CO -0.01 0.40 0.02 -0.89 -0.10 0.00 0.00 174.94 174.36 1x0t s THR 96 N 1.46 4.02 -0.15 2.92 2.01 -0.04 -0.64 115.64 125.21 1x0t s THR 96 Ca 0.05 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 1x0t s THR 96 Cb -0.14 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1x0t s THR 96 CO -0.01 0.40 1.31 0.00 -0.69 0.00 0.00 174.62 175.63 1x0t n LEU 98 N 6.65 0.42 0.10 0.00 4.77 0.29 0.02 117.00 129.25 1x0t n LEU 98 Ca 0.14 0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 56.42 1x0t n LEU 98 Cb 0.45 -0.38 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1x0t n LEU 98 CO 0.57 -0.07 -0.02 -0.33 -1.33 0.00 0.00 177.39 176.21 1x0t h GLU 99 N 0.00 0.38 0.00 3.23 5.08 -1.90 -3.39 114.58 117.98 1x0t h GLU 99 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1x0t h GLU 99 Cb 0.61 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1x0t h GLU 99 CO 0.00 1.24 0.00 0.00 -1.00 0.00 0.00 179.01 179.25 1x0t n GLY 101 N 0.28 0.87 3.76 0.00 0.00 0.10 -5.03 105.19 105.17 1x0t n GLY 101 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1x0t n GLY 101 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x0t s TYR 102 N -3.41 3.00 -0.15 1.61 5.04 -1.23 -4.65 117.35 117.56 1x0t s TYR 102 Ca 0.00 1.24 -0.03 0.00 -2.44 0.00 0.00 57.07 55.84 1x0t s TYR 102 Cb 0.00 -3.76 -0.03 0.00 0.35 0.00 0.00 41.96 38.52 1x0t s TYR 102 CO 0.00 -2.27 -0.05 0.42 -1.34 0.00 0.00 175.55 172.31 1x0t s ILE 103 N -0.66 3.76 -0.04 3.14 1.01 -1.26 -0.59 121.20 126.56 1x0t s ILE 103 Ca 0.53 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1x0t s ILE 103 Cb -0.41 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 1x0t s ILE 103 CO 0.50 0.50 -0.19 -0.04 0.00 0.00 0.00 174.94 175.71 1x0t s MET 104 N 0.29 1.80 0.00 2.79 -1.94 0.18 -4.99 119.30 117.43 1x0t s MET 104 Ca -0.04 -0.67 0.08 0.00 -1.71 0.00 0.00 55.69 53.35 1x0t s MET 104 Cb -0.14 -1.61 -0.02 0.00 2.01 0.00 0.00 34.83 35.07 1x0t s MET 104 CO 0.03 0.32 -0.26 1.03 -0.01 0.00 0.00 175.02 176.13 1x0t s ARG 105 N -0.15 2.00 0.02 2.03 0.52 -1.26 -0.17 118.95 121.94 1x0t s ARG 105 Ca -0.00 -1.00 0.01 0.00 -0.52 0.00 0.00 55.73 54.23 1x0t s ARG 105 Cb -0.10 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 1x0t s ARG 105 CO 0.01 0.54 -0.05 0.71 0.02 0.00 0.00 175.30 176.53 1x0t s TYR 106 N -0.68 0.47 0.25 -0.53 2.02 -0.06 -4.96 117.35 113.86 1x0t s TYR 106 Ca 0.11 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.15 1x0t s TYR 106 Cb -0.10 -0.29 -0.09 0.00 -0.40 0.00 0.00 41.96 41.07 1x0t s TYR 106 CO 0.00 -0.08 1.33 -2.14 -1.57 0.00 0.00 175.55 173.09 1x0t s PRO 107 N -1.04 4.37 0.09 -1.71 0.02 -1.26 0.59 135.00 136.05 1x0t s PRO 107 Ca -0.07 2.14 -0.09 0.00 0.02 0.00 0.00 61.00 62.99 1x0t s PRO 107 Cb -0.07 -3.15 -0.19 0.00 0.02 0.00 0.00 34.50 31.11 1x0t s PRO 107 CO -0.00 -0.25 1.22 -0.92 -0.33 0.00 0.00 177.00 176.71 1x0t h TYR 108 N 4.75 0.82 -0.01 6.54 3.20 -1.62 -3.44 116.97 127.22 1x0t h TYR 108 Ca -0.46 -0.47 0.00 0.00 3.14 0.00 0.00 58.73 60.94 1x0t h TYR 108 Cb 1.22 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1x0t h TYR 108 CO 0.60 1.31 0.00 1.28 -1.64 0.00 0.00 178.16 179.71