#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qco h PRO 7 N 0.00 1.09 -0.50 -2.82 0.11 -2.06 -2.53 132.00 125.30 2qco h PRO 7 Ca 0.00 -0.30 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 2qco h PRO 7 Cb 0.00 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 2qco h PRO 7 CO 0.00 1.01 0.15 0.77 -0.21 0.00 0.00 178.00 179.72 2qco h SER 8 N 1.01 0.68 0.34 -2.05 0.02 -2.06 -0.59 113.55 110.91 2qco h SER 8 Ca 0.20 -0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 2qco h SER 8 Cb 0.45 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2qco h SER 8 CO 0.01 0.65 -0.56 1.56 -1.14 0.00 0.00 176.83 177.36 2qco h GLN 9 N 0.72 0.23 -0.04 3.45 4.20 -1.98 -2.53 115.11 119.16 2qco h GLN 9 Ca 0.17 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 2qco h GLN 9 Cb 0.22 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2qco h GLN 9 CO -0.01 0.73 -0.60 0.87 -0.67 0.00 0.00 178.83 179.15 2qco h LYS 10 N 0.17 0.14 -0.12 1.46 1.57 -0.91 -2.29 116.57 116.59 2qco h LYS 10 Ca -0.00 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 2qco h LYS 10 Cb 1.04 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2qco h LYS 10 CO 0.09 0.69 -0.28 0.28 -0.57 0.00 0.00 179.45 179.66 2qco h VAL 11 N 0.10 1.38 -0.20 0.50 2.07 -1.07 -2.33 116.25 116.70 2qco h VAL 11 Ca -0.01 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 2qco h VAL 11 Cb 1.08 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2qco h VAL 11 CO 0.09 0.46 0.09 -0.07 0.02 0.00 0.00 177.57 178.16 2qco h LEU 12 N -0.02 0.27 -1.41 2.57 3.38 -1.46 0.65 115.31 119.28 2qco h LEU 12 Ca -0.00 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2qco h LEU 12 Cb 0.88 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2qco h LEU 12 CO 0.06 0.33 -0.29 0.00 0.09 0.00 0.00 178.44 178.62 2qco h ALA 13 N 0.95 1.41 -0.13 1.53 0.00 -1.52 -0.68 119.26 120.83 2qco h ALA 13 Ca 0.07 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2qco h ALA 13 Cb 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qco h ALA 13 CO -0.01 0.37 -0.68 -0.09 0.00 0.00 0.00 179.25 178.84 2qco h ARG 14 N 0.00 0.53 -0.19 0.00 2.43 -1.09 -2.88 114.38 113.18 2qco h ARG 14 Ca -0.00 -0.40 -0.13 0.00 -0.81 0.00 0.00 59.98 58.63 2qco h ARG 14 Cb 0.56 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2qco h ARG 14 CO 0.04 1.03 -0.44 1.96 -1.51 0.00 0.00 179.97 181.04 2qco h GLN 15 N 0.38 0.46 0.00 0.20 4.20 -0.29 -3.01 115.11 117.05 2qco h GLN 15 Ca -0.02 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.38 2qco h GLN 15 Cb 1.26 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 2qco h GLN 15 CO 0.13 0.82 -0.29 0.93 -0.67 0.00 0.00 178.83 179.74 2qco h GLU 16 N 0.38 0.00 -0.22 1.46 4.39 -1.12 -2.70 114.58 116.76 2qco h GLU 16 Ca 0.03 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 2qco h GLU 16 Cb 0.93 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 2qco h GLU 16 CO 0.08 0.29 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.87 2qco h LYS 17 N 0.00 0.48 -0.57 2.33 1.63 -1.37 -1.28 116.57 117.79 2qco h LYS 17 Ca -0.00 -0.22 -0.08 0.00 -0.85 0.00 0.00 60.65 59.49 2qco h LYS 17 Cb 0.70 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 2qco h LYS 17 CO 0.04 0.78 0.03 0.82 -3.45 0.00 0.00 179.45 177.66 2qco h ILE 18 N 0.18 1.26 -0.07 2.00 1.08 -1.49 -0.05 117.51 120.42 2qco h ILE 18 Ca 0.05 -1.07 -0.12 0.00 -0.39 0.00 0.00 64.86 63.33 2qco h ILE 18 Cb 0.65 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2qco h ILE 18 CO 0.04 0.39 -0.51 0.11 -0.69 0.00 0.00 178.15 177.49 2qco h LYS 19 N 0.90 0.19 -0.02 2.37 1.57 -1.49 -0.94 116.57 119.15 2qco h LYS 19 Ca 0.17 -0.11 -0.20 0.00 -1.87 0.00 0.00 60.65 58.64 2qco h LYS 19 Cb 0.48 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2qco h LYS 19 CO 0.02 0.66 -0.84 0.00 -0.57 0.00 0.00 179.45 178.72 2qco h ALA 20 N 1.32 0.51 -0.23 3.86 0.00 -0.91 -1.89 119.26 121.91 2qco h ALA 20 Ca 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 2qco h ALA 20 Cb 0.95 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2qco h ALA 20 CO 0.08 0.84 -0.16 0.28 0.00 0.00 0.00 179.25 180.28 2qco h VAL 21 N 0.19 1.31 -0.12 0.00 2.07 -0.87 -2.32 116.25 116.50 2qco h VAL 21 Ca -0.05 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 2qco h VAL 21 Cb 1.45 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2qco h VAL 21 CO 0.14 0.39 0.03 0.00 0.02 0.00 0.00 177.57 178.15 2qco h ALA 22 N 0.70 0.16 -0.81 1.67 0.00 -1.22 -1.87 119.26 117.88 2qco h ALA 22 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2qco h ALA 22 Cb 0.68 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2qco h ALA 22 CO 0.04 -0.21 0.54 1.25 0.00 0.00 0.00 179.25 180.87 2qco h LEU 23 N -0.00 0.90 -0.43 0.00 7.12 -1.40 0.28 115.31 121.77 2qco h LEU 23 Ca 0.04 -0.02 -0.09 0.00 0.13 0.00 0.00 57.88 57.94 2qco h LEU 23 Cb 0.25 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 2qco h LEU 23 CO 0.00 0.63 -0.08 -0.08 -0.13 0.00 0.00 178.44 178.78 2qco h GLU 24 N 1.05 0.81 -0.16 1.25 4.81 -1.34 -2.93 114.58 118.07 2qco h GLU 24 Ca 0.31 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 2qco h GLU 24 Cb -0.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2qco h GLU 24 CO -0.08 0.92 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.65 2qco h LEU 25 N 0.64 0.38 -1.19 1.64 3.38 -0.60 -0.95 115.31 118.60 2qco h LEU 25 Ca 0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2qco h LEU 25 Cb 0.61 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2qco h LEU 25 CO 0.04 0.75 -0.15 -0.26 0.09 0.00 0.00 178.44 178.90 2qco h PHE 26 N 0.30 0.00 0.05 1.13 0.04 -0.97 -1.67 116.94 115.83 2qco h PHE 26 Ca 0.03 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.45 2qco h PHE 26 Cb 0.84 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.95 2qco h PHE 26 CO 0.02 0.15 -2.07 1.28 -0.60 0.00 0.00 178.31 177.09 2qco n LEU 27 N -3.30 1.96 -0.07 1.54 4.32 -1.04 -3.42 117.00 117.00 2qco n LEU 27 Ca 0.00 0.17 -0.11 0.00 -0.02 0.00 0.00 56.01 56.05 2qco n LEU 27 Cb 0.39 -0.57 -0.15 0.00 -1.62 0.00 0.00 43.42 41.48 2qco n LEU 27 CO 0.31 0.72 -0.91 1.07 -1.22 0.00 0.00 177.39 177.36 2qco n THR 28 N -3.24 1.51 -0.06 -5.08 5.66 -0.39 -4.58 114.28 108.10 2qco n THR 28 Ca -0.31 -0.80 -0.05 0.00 -3.05 0.00 0.00 64.05 59.84 2qco n THR 28 Cb 1.05 -0.85 -0.10 0.00 -1.55 0.00 0.00 70.33 68.88 2qco n THR 28 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2qco n LYS 29 N -2.96 1.82 0.00 1.09 4.81 -0.68 -5.08 118.16 117.15 2qco n LYS 29 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.14 2qco n LYS 29 Cb 1.10 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.82 2qco n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qco n GLY 30 N 2.18 2.63 0.16 3.14 0.00 -0.86 -4.63 105.19 107.81 2qco n GLY 30 Ca -0.19 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 2qco n GLY 30 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qco h TYR 31 N 0.00 0.50 0.00 1.61 3.20 -1.81 -2.01 116.97 118.47 2qco h TYR 31 Ca 0.00 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.69 2qco h TYR 31 Cb 0.00 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2qco h TYR 31 CO 0.00 0.59 -0.49 1.96 -1.64 0.00 0.00 178.16 178.58 2qco h GLN 32 N 0.28 0.00 0.03 1.82 1.08 -1.94 -3.16 115.11 113.22 2qco h GLN 32 Ca 0.08 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.05 2qco h GLN 32 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2qco h GLN 32 CO 0.01 0.49 -1.01 0.93 -0.95 0.00 0.00 178.83 178.30 2qco h GLU 33 N 0.00 0.37 -6.74 1.46 3.07 -1.80 -3.45 114.58 107.49 2qco h GLU 33 Ca -0.00 -0.44 -0.51 0.00 -0.50 0.00 0.00 59.36 57.90 2qco h GLU 33 Cb 1.03 0.14 0.01 0.00 -0.84 0.00 0.00 28.75 29.09 2qco h GLU 33 CO 0.06 1.13 0.47 0.99 -1.40 0.00 0.00 179.01 180.27 2qco s THR 34 N -3.12 3.67 0.54 1.13 2.01 -0.76 -5.03 115.64 114.08 2qco s THR 34 Ca -0.05 1.57 0.04 0.00 0.31 0.00 0.00 61.69 63.55 2qco s THR 34 Cb 0.08 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.62 2qco s THR 34 CO 0.87 0.33 0.29 -0.94 -0.69 0.00 0.00 174.62 174.48 2qco s SER 35 N -0.54 4.48 0.13 3.53 1.04 -1.26 -4.94 113.70 116.13 2qco s SER 35 Ca 0.47 -1.38 -0.15 0.00 0.48 0.00 0.00 55.95 55.37 2qco s SER 35 Cb -0.31 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 2qco s SER 35 CO 0.38 -1.05 1.59 0.25 0.98 0.00 0.00 173.24 175.39 2qco h LEU 36 N 0.91 0.67 -2.05 2.42 6.46 -1.97 -2.99 115.31 118.77 2qco h LEU 36 Ca -0.39 -0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.07 2qco h LEU 36 Cb 1.31 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 41.06 2qco h LEU 36 CO 0.62 0.79 -0.06 0.77 -0.62 0.00 0.00 178.44 179.94 2qco h SER 37 N 0.53 0.00 -0.29 1.25 4.64 -1.99 -0.35 113.55 117.34 2qco h SER 37 Ca 0.12 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 2qco h SER 37 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2qco h SER 37 CO 0.02 0.06 -0.22 0.44 -0.87 0.00 0.00 176.83 176.25 2qco h ASP 38 N 0.00 0.78 0.27 4.97 5.19 -1.93 -2.43 116.42 123.28 2qco h ASP 38 Ca -0.00 -0.28 -0.25 0.00 -0.62 0.00 0.00 57.03 55.88 2qco h ASP 38 Cb 0.12 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 39.43 2qco h ASP 38 CO 0.01 0.98 -1.02 0.40 -3.12 0.00 0.00 179.24 176.49 2qco h ILE 39 N 0.67 1.37 -0.44 0.35 2.04 -1.16 -3.07 117.51 117.28 2qco h ILE 39 Ca 0.09 -2.46 -0.02 0.00 1.00 0.00 0.00 64.86 63.47 2qco h ILE 39 Cb 0.73 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 2qco h ILE 39 CO 0.06 0.74 0.18 0.40 0.00 0.00 0.00 178.15 179.53 2qco h ILE 40 N 0.26 1.20 0.01 -0.67 2.04 -1.10 -2.53 117.51 116.72 2qco h ILE 40 Ca -0.11 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 2qco h ILE 40 Cb 1.67 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2qco h ILE 40 CO 0.18 0.22 -0.00 0.50 0.00 0.00 0.00 178.15 179.05 2qco h LYS 41 N 0.57 -0.01 0.00 2.37 3.64 -1.52 -3.05 116.57 118.56 2qco h LYS 41 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2qco h LYS 41 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2qco h LYS 41 CO -0.01 0.35 0.00 -0.07 -2.27 0.00 0.00 179.45 177.45 2qco h LEU 42 N -0.37 0.00 -0.59 5.20 4.07 -1.58 -1.16 115.31 120.87 2qco h LEU 42 Ca -0.00 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 2qco h LEU 42 Cb 0.37 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 2qco h LEU 42 CO 0.00 0.00 -0.58 0.28 -1.08 0.00 0.00 178.44 177.06 2qco h SER 43 N 0.00 0.00 0.00 -0.43 0.02 -1.41 -3.50 113.55 108.23 2qco h SER 43 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qco h SER 43 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2qco h SER 43 CO 0.00 0.58 0.00 0.61 -1.14 0.00 0.00 176.83 176.88 2qco n GLY 44 N 0.56 0.46 2.44 -3.77 0.00 -0.44 -3.62 105.19 100.83 2qco n GLY 44 Ca -0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 2qco n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qco n GLY 45 N 0.00 5.43 0.00 -0.02 0.00 -1.26 -4.25 105.19 105.09 2qco n GLY 45 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2qco n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qco n SER 46 N -0.51 0.69 -0.03 1.61 7.64 -1.24 -4.85 113.62 116.92 2qco n SER 46 Ca 0.55 -0.95 -0.01 0.00 1.01 0.00 0.00 58.87 59.47 2qco n SER 46 Cb 0.52 0.06 -0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2qco n SER 46 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2qco h TYR 47 N 0.00 0.00 -6.20 1.43 3.20 -1.83 -3.46 116.97 110.11 2qco h TYR 47 Ca 0.00 0.00 -0.43 0.00 3.14 0.00 0.00 58.73 61.44 2qco h TYR 47 Cb 0.12 0.00 0.05 0.00 1.54 0.00 0.00 36.73 38.44 2qco h TYR 47 CO 0.00 0.00 -0.89 0.45 -1.64 0.00 0.00 178.16 176.08 2qco n SER 48 N -3.64 -3.13 -3.32 -2.11 2.88 -1.26 -3.04 113.62 99.99 2qco n SER 48 Ca -0.02 -0.94 -0.14 0.00 -1.33 0.00 0.00 58.87 56.44 2qco n SER 48 Cb 0.06 -3.60 -0.04 0.00 -0.75 0.00 0.00 64.21 59.88 2qco n SER 48 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qco n ASN 49 N -2.88 0.21 -4.67 -3.46 6.94 -1.26 -4.79 115.26 105.34 2qco n ASN 49 Ca -0.20 -0.54 -0.40 0.00 -0.02 0.00 0.00 54.58 53.42 2qco n ASN 49 Cb 0.64 -0.67 0.03 0.00 -2.36 0.00 0.00 39.78 37.42 2qco n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qco n ILE 50 N -2.53 3.07 -3.40 1.53 0.00 -1.17 -4.93 119.36 111.92 2qco n ILE 50 Ca -0.13 -0.50 -0.38 0.00 0.00 0.00 0.00 62.75 61.74 2qco n ILE 50 Cb 0.29 -1.41 -0.04 0.00 0.00 0.00 0.00 39.64 38.49 2qco n ILE 50 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2qco n TYR 51 N -0.80 3.92 0.00 9.51 4.02 -1.26 -4.22 117.16 128.33 2qco n TYR 51 Ca 0.10 -3.74 0.00 0.00 -0.01 0.00 0.00 57.90 54.25 2qco n TYR 51 Cb 0.42 -1.21 0.00 0.00 -0.02 0.00 0.00 39.34 38.54 2qco n TYR 51 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2qco n ASP 52 N 1.96 0.00 -1.13 7.72 8.00 -1.26 -4.97 116.55 126.86 2qco n ASP 52 Ca 0.24 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.86 2qco n ASP 52 Cb 0.37 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.68 2qco n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qco n GLY 53 N 0.00 1.74 0.00 0.44 0.00 -1.26 -4.51 105.19 101.60 2qco n GLY 53 Ca 0.00 -0.72 0.10 0.00 0.00 0.00 0.00 46.02 45.40 2qco n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qco n PHE 54 N 1.46 0.00 1.76 1.61 3.01 -1.26 -2.63 117.46 121.41 2qco n PHE 54 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.65 2qco n PHE 54 Cb 0.60 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 2qco n PHE 54 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2qco n LYS 55 N -1.39 0.95 -3.50 -1.08 2.85 -1.26 -4.78 118.16 109.94 2qco n LYS 55 Ca 0.07 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.20 2qco n LYS 55 Cb 0.20 -1.07 -0.04 0.00 -0.65 0.00 0.00 35.03 33.47 2qco n LYS 55 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2qco s SER 56 N -0.92 -0.52 0.48 -5.58 1.04 -1.22 -5.04 113.70 101.94 2qco s SER 56 Ca 0.00 0.18 0.27 0.00 0.48 0.00 0.00 55.95 56.89 2qco s SER 56 Cb 0.00 0.54 1.02 0.00 0.10 0.00 0.00 66.02 67.68 2qco s SER 56 CO 0.00 -0.81 1.86 0.07 0.98 0.00 0.00 173.24 175.34 2qco h LYS 57 N 2.48 0.00 0.13 4.02 2.10 -1.87 -2.24 116.57 121.20 2qco h LYS 57 Ca -0.32 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.33 2qco h LYS 57 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2qco h LYS 57 CO 0.40 0.13 -0.06 0.93 -2.00 0.00 0.00 179.45 178.85 2qco h GLU 58 N 0.00 -0.17 -0.29 0.07 3.07 -1.96 -2.98 114.58 112.32 2qco h GLU 58 Ca -0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 2qco h GLU 58 Cb 0.70 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 2qco h GLU 58 CO 0.02 0.29 0.05 0.78 -1.40 0.00 0.00 179.01 178.75 2qco h GLY 59 N -0.79 0.46 1.11 -3.84 0.00 -1.66 -2.05 103.07 96.31 2qco h GLY 59 Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2qco h GLY 59 CO 0.03 0.22 0.36 1.41 0.00 0.00 0.00 176.54 178.56 2qco h LEU 60 N 0.42 1.04 -0.52 3.11 3.38 -1.15 -0.76 115.31 120.82 2qco h LEU 60 Ca 0.10 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2qco h LEU 60 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2qco h LEU 60 CO 0.00 0.89 -0.01 0.15 0.09 0.00 0.00 178.44 179.56 2qco h PHE 61 N 1.12 1.01 0.00 1.13 3.57 -1.22 -2.60 116.94 119.95 2qco h PHE 61 Ca 0.27 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2qco h PHE 61 Cb 0.14 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 2qco h PHE 61 CO 0.02 0.93 -0.10 0.74 -2.23 0.00 0.00 178.31 177.66 2qco h PHE 62 N 0.79 0.00 -0.21 0.41 -1.00 -1.22 0.11 116.94 115.82 2qco h PHE 62 Ca 0.15 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.77 2qco h PHE 62 Cb 0.53 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 2qco h PHE 62 CO 0.04 0.10 -0.52 0.93 -1.61 0.00 0.00 178.31 177.25 2qco h GLU 63 N 0.00 0.60 -0.19 1.51 4.39 -0.99 -0.98 114.58 118.92 2qco h GLU 63 Ca -0.00 -0.37 -0.20 0.00 0.34 0.00 0.00 59.36 59.14 2qco h GLU 63 Cb 0.76 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2qco h GLU 63 CO 0.01 0.97 -0.64 0.82 -1.16 0.00 0.00 179.01 179.01 2qco h ILE 64 N 0.47 1.29 -0.14 3.13 2.04 -1.07 -3.21 117.51 120.01 2qco h ILE 64 Ca 0.02 -1.85 -0.04 0.00 1.00 0.00 0.00 64.86 63.99 2qco h ILE 64 Cb 1.07 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 2qco h ILE 64 CO 0.10 0.59 -0.08 0.25 0.00 0.00 0.00 178.15 179.01 2qco h LEU 65 N 0.50 0.20 -0.52 1.44 6.46 -0.74 -2.16 115.31 120.48 2qco h LEU 65 Ca -0.03 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2qco h LEU 65 Cb 1.27 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 2qco h LEU 65 CO 0.14 0.31 0.27 0.44 -0.62 0.00 0.00 178.44 178.98 2qco h ASP 66 N 0.21 0.66 -0.07 1.25 3.32 -1.19 -0.77 116.42 119.83 2qco h ASP 66 Ca 0.05 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 2qco h ASP 66 Cb 0.28 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2qco h ASP 66 CO 0.01 0.58 -0.27 0.44 -1.72 0.00 0.00 179.24 178.29 2qco h ASP 67 N 0.69 0.52 -0.22 6.45 5.19 -1.45 -1.55 116.42 126.05 2qco h ASP 67 Ca 0.18 -0.18 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 2qco h ASP 67 Cb 0.07 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 2qco h ASP 67 CO -0.03 0.77 -0.21 0.40 -3.12 0.00 0.00 179.24 177.05 2qco h ILE 68 N 0.45 1.32 -0.19 0.35 2.04 -1.23 -1.94 117.51 118.32 2qco h ILE 68 Ca 0.06 -1.37 -0.10 0.00 1.00 0.00 0.00 64.86 64.44 2qco h ILE 68 Cb 0.70 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2qco h ILE 68 CO 0.05 0.42 -0.34 0.00 0.00 0.00 0.00 178.15 178.29 2qco h LYS 70 N 0.34 0.27 -0.11 0.00 1.57 -1.28 -1.73 116.57 115.62 2qco h LYS 70 Ca 0.04 -0.16 -0.22 0.00 -1.87 0.00 0.00 60.65 58.44 2qco h LYS 70 Cb 0.76 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.09 2qco h LYS 70 CO 0.06 0.73 -0.81 -0.22 -0.57 0.00 0.00 179.45 178.65 2qco h LYS 71 N 0.21 0.68 -0.51 3.15 1.63 -1.09 -3.00 116.57 117.64 2qco h LYS 71 Ca 0.00 -0.58 -0.10 0.00 -0.85 0.00 0.00 60.65 59.12 2qco h LYS 71 Cb 1.01 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 2qco h LYS 71 CO 0.08 1.19 -0.09 0.45 -3.45 0.00 0.00 179.45 177.64 2qco h HIS 72 N 0.45 1.02 0.17 1.91 3.86 -1.13 -2.33 115.15 119.11 2qco h HIS 72 Ca -0.06 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 58.95 2qco h HIS 72 Cb 1.43 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2qco h HIS 72 CO 0.08 0.96 -0.08 0.35 0.86 0.00 0.00 177.93 180.09 2qco h PHE 73 N 0.83 -0.21 0.00 2.45 3.57 -1.34 -2.17 116.94 120.07 2qco h PHE 73 Ca 0.14 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2qco h PHE 73 Cb 0.61 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2qco h PHE 73 CO 0.04 -0.11 -0.21 0.45 -2.23 0.00 0.00 178.31 176.24 2qco h HIS 74 N -0.25 0.00 -0.04 0.41 3.86 -1.56 -1.18 115.15 116.39 2qco h HIS 74 Ca -0.02 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 2qco h HIS 74 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2qco h HIS 74 CO -0.06 0.21 -0.17 1.25 0.86 0.00 0.00 177.93 180.02 2qco h LEU 75 N 0.00 0.22 -0.46 2.43 6.46 -1.30 -2.29 115.31 120.37 2qco h LEU 75 Ca -0.00 -0.65 -0.14 0.00 -0.12 0.00 0.00 57.88 56.97 2qco h LEU 75 Cb 0.84 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 2qco h LEU 75 CO 0.03 0.83 -0.28 0.40 -0.62 0.00 0.00 178.44 178.79 2qco h ILE 76 N -0.38 1.27 -0.74 4.05 2.04 -1.40 -2.96 117.51 119.39 2qco h ILE 76 Ca -0.01 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.43 2qco h ILE 76 Cb 0.82 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 2qco h ILE 76 CO 0.04 0.50 0.47 0.22 0.00 0.00 0.00 178.15 179.37 2qco h TYR 77 N 0.82 0.88 -0.14 1.37 5.03 -1.28 -1.89 116.97 121.76 2qco h TYR 77 Ca 0.09 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.33 2qco h TYR 77 Cb 0.87 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 2qco h TYR 77 CO 0.06 0.50 -0.33 0.66 -1.32 0.00 0.00 178.16 177.73 2qco h SER 78 N 0.91 0.29 1.76 -2.11 4.64 -1.39 0.48 113.55 118.13 2qco h SER 78 Ca 0.30 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 2qco h SER 78 Cb 0.02 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2qco h SER 78 CO -0.11 0.61 -0.07 0.11 -0.87 0.00 0.00 176.83 176.50 2qco h LYS 79 N 0.25 0.00 0.00 4.77 1.57 -1.28 -3.24 116.57 118.64 2qco h LYS 79 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2qco h LYS 79 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2qco h LYS 79 CO 0.05 0.07 -1.41 -2.37 -0.57 0.00 0.00 179.45 175.23 2qco n THR 80 N -3.13 0.00 0.12 -0.16 5.66 -0.75 -4.44 114.28 111.58 2qco n THR 80 Ca 0.03 -0.29 0.02 0.00 -3.05 0.00 0.00 64.05 60.76 2qco n THR 80 Cb 0.52 0.39 0.00 0.00 -1.55 0.00 0.00 70.33 69.69 2qco n THR 80 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2qco h GLN 81 N 0.00 0.00 -1.00 1.09 5.75 -1.00 -3.27 115.11 116.68 2qco h GLN 81 Ca 0.00 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.33 2qco h GLN 81 Cb 0.59 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.04 2qco h GLN 81 CO 0.00 0.47 0.22 -1.91 -2.65 0.00 0.00 178.83 174.96 2qco n GLU 82 N -3.17 1.41 -0.74 1.69 4.07 -1.22 -3.20 120.64 119.49 2qco n GLU 82 Ca 0.00 -0.99 -0.01 0.00 -0.06 0.00 0.00 57.16 56.10 2qco n GLU 82 Cb 0.75 -1.39 -0.01 0.00 -0.06 0.00 0.00 31.44 30.73 2qco n GLU 82 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 2qco n ILE 83 N -0.04 0.00 -1.42 6.31 3.06 -1.23 -5.02 119.36 121.02 2qco n ILE 83 Ca 0.20 -0.13 -0.43 0.00 -2.50 0.00 0.00 62.75 59.89 2qco n ILE 83 Cb 0.89 0.36 -0.03 0.00 0.54 0.00 0.00 39.64 41.39 2qco n ILE 83 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2qco n LYS 84 N 0.06 2.06 0.00 9.51 3.00 -1.19 -2.63 118.16 128.97 2qco n LYS 84 Ca -0.05 -2.18 0.00 0.00 -0.00 0.00 0.00 58.31 56.08 2qco n LYS 84 Cb 0.68 -3.09 0.00 0.00 0.00 0.00 0.00 35.03 32.62 2qco n LYS 84 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2qco n ASN 85 N 7.10 0.00 -2.61 3.14 0.23 -1.26 -5.16 115.26 116.70 2qco n ASN 85 Ca 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.55 2qco n ASN 85 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 2qco n ASN 85 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qco n GLY 86 N -0.20 -1.00 3.92 4.83 0.00 -1.08 -5.08 105.19 106.58 2qco n GLY 86 Ca 0.00 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 2qco n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qco s THR 87 N -0.42 2.05 0.36 2.61 -4.23 -1.26 -4.94 115.64 109.81 2qco s THR 87 Ca 0.00 -0.06 0.14 0.00 -1.18 0.00 0.00 61.69 60.59 2qco s THR 87 Cb 0.00 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.97 2qco s THR 87 CO 0.00 0.00 1.84 0.25 -0.54 0.00 0.00 174.62 176.17 2qco h LEU 88 N -1.15 0.00 -0.34 4.79 6.46 -2.00 -2.85 115.31 120.22 2qco h LEU 88 Ca -0.45 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.24 2qco h LEU 88 Cb 1.30 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.22 2qco h LEU 88 CO 0.56 0.35 -0.08 0.50 -0.62 0.00 0.00 178.44 179.15 2qco h LYS 89 N 0.00 0.66 -0.24 1.25 3.64 -1.98 -2.64 116.57 117.25 2qco h LYS 89 Ca -0.00 -0.25 -0.14 0.00 -1.27 0.00 0.00 60.65 58.98 2qco h LYS 89 Cb 0.64 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2qco h LYS 89 CO 0.05 0.82 -0.44 0.93 -2.27 0.00 0.00 179.45 178.53 2qco h GLU 90 N 0.45 0.60 0.00 1.90 5.08 -1.90 -1.53 114.58 119.19 2qco h GLU 90 Ca 0.09 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 58.00 2qco h GLU 90 Cb 0.58 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2qco h GLU 90 CO 0.03 0.93 -0.55 -0.84 -1.00 0.00 0.00 179.01 177.57 2qco h ILE 91 N 0.48 1.08 -0.14 3.13 -0.00 -1.58 -2.01 117.51 118.48 2qco h ILE 91 Ca 0.03 -2.16 -0.23 0.00 -0.00 0.00 0.00 64.86 62.51 2qco h ILE 91 Cb 0.97 2.28 0.01 0.00 -0.00 0.00 0.00 36.82 40.08 2qco h ILE 91 CO 0.09 0.54 -0.80 -0.07 -0.00 0.00 0.00 178.15 177.91 2qco h LEU 92 N 0.00 0.94 -0.53 0.16 4.07 -1.30 -1.69 115.31 116.96 2qco h LEU 92 Ca -0.01 -0.62 -0.16 0.00 0.08 0.00 0.00 57.88 57.17 2qco h LEU 92 Cb 1.24 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 2qco h LEU 92 CO 0.07 1.42 -0.55 0.71 -1.08 0.00 0.00 178.44 179.01 2qco h THR 93 N 0.53 1.33 -0.32 0.22 1.35 -1.30 0.19 112.91 114.90 2qco h THR 93 Ca -0.06 -1.81 -0.14 0.00 -0.55 0.00 0.00 66.41 63.85 2qco h THR 93 Cb 1.43 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 69.63 2qco h THR 93 CO 0.16 0.56 -0.36 -1.28 -0.25 0.00 0.00 175.52 174.35 2qco h SER 94 N 0.41 0.78 -0.16 5.36 0.87 -1.41 -0.91 113.55 118.49 2qco h SER 94 Ca 0.01 -0.34 -0.06 0.00 -1.23 0.00 0.00 61.79 60.16 2qco h SER 94 Cb 1.09 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2qco h SER 94 CO 0.10 1.06 -0.16 0.15 -0.53 0.00 0.00 176.83 177.46 2qco h PHE 95 N 0.62 0.46 -0.29 2.24 3.57 -1.27 -3.22 116.94 119.05 2qco h PHE 95 Ca 0.06 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.44 2qco h PHE 95 Cb 0.90 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 2qco h PHE 95 CO 0.05 0.77 0.13 0.78 -2.23 0.00 0.00 178.31 177.80 2qco h GLY 96 N 0.02 0.37 1.33 2.40 0.00 -0.49 0.01 103.07 106.71 2qco h GLY 96 Ca 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2qco h GLY 96 CO 0.04 0.06 0.23 1.41 0.00 0.00 0.00 176.54 178.28 2qco h LEU 97 N 0.27 0.78 -0.30 3.11 3.38 -1.29 0.11 115.31 121.37 2qco h LEU 97 Ca 0.12 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 2qco h LEU 97 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2qco h LEU 97 CO -0.10 0.71 -0.86 0.00 0.09 0.00 0.00 178.44 178.28 2qco h ALA 98 N 1.41 0.53 -0.13 1.53 0.00 -1.51 -2.77 119.26 118.32 2qco h ALA 98 Ca 0.20 -0.70 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2qco h ALA 98 Cb 0.18 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2qco h ALA 98 CO -0.02 0.88 -0.73 0.35 0.00 0.00 0.00 179.25 179.74 2qco h PHE 99 N 0.13 0.98 0.00 0.00 3.57 -0.57 -3.19 116.94 117.86 2qco h PHE 99 Ca -0.04 -0.44 -0.11 0.00 3.53 0.00 0.00 57.97 60.90 2qco h PHE 99 Cb 1.47 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 2qco h PHE 99 CO 0.03 1.26 -0.52 0.97 -2.23 0.00 0.00 178.31 177.83 2qco h ILE 100 N 0.41 1.05 -0.27 1.41 6.09 -0.89 -3.22 117.51 122.10 2qco h ILE 100 Ca -0.06 -2.02 -0.14 0.00 -1.37 0.00 0.00 64.86 61.27 2qco h ILE 100 Cb 1.37 2.21 -0.01 0.00 0.47 0.00 0.00 36.82 40.86 2qco h ILE 100 CO 0.15 0.51 -0.41 -0.08 -3.07 0.00 0.00 178.15 175.25 2qco h GLU 101 N 0.00 0.65 -0.12 2.19 4.81 -1.54 -2.81 114.58 117.75 2qco h GLU 101 Ca -0.01 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2qco h GLU 101 Cb 1.16 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2qco h GLU 101 CO 0.07 0.94 0.01 0.82 -0.73 0.00 0.00 179.01 180.12 2qco h ILE 102 N 0.53 1.23 0.00 2.32 2.04 -1.56 -3.16 117.51 118.92 2qco h ILE 102 Ca 0.04 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2qco h ILE 102 Cb 0.93 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2qco h ILE 102 CO 0.08 0.22 0.00 0.49 0.00 0.00 0.00 178.15 178.94 2qco n PHE 103 N -4.81 0.47 -0.79 1.37 3.01 -1.23 -3.02 117.46 112.47 2qco n PHE 103 Ca -0.06 0.15 -0.10 0.00 1.01 0.00 0.00 57.45 58.46 2qco n PHE 103 Cb 0.19 -0.75 0.23 0.00 -0.01 0.00 0.00 39.48 39.14 2qco n PHE 103 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2qco n ASN 104 N -1.90 4.20 -4.64 4.37 3.02 -1.06 -4.73 115.26 114.51 2qco n ASN 104 Ca 0.05 -3.14 -0.31 0.00 -0.03 0.00 0.00 54.58 51.14 2qco n ASN 104 Cb 0.32 -0.74 -0.09 0.00 -0.61 0.00 0.00 39.78 38.66 2qco n ASN 104 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2qco s GLN 105 N -2.69 2.54 0.57 3.52 -1.52 -1.17 -4.76 119.66 116.16 2qco s GLN 105 Ca 0.48 -0.78 0.38 0.00 -1.95 0.00 0.00 55.36 53.49 2qco s GLN 105 Cb 0.39 -2.52 2.05 0.00 -0.22 0.00 0.00 33.01 32.70 2qco s GLN 105 CO 0.11 0.57 2.17 -1.00 -0.25 0.00 0.00 175.29 176.89 2qco h PRO 106 N 3.96 0.00 -0.00 2.91 0.13 -1.90 -2.60 132.00 134.49 2qco h PRO 106 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qco h PRO 106 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2qco h PRO 106 CO 0.56 0.00 -0.00 0.93 -0.23 0.00 0.00 178.00 179.26 2qco h GLU 107 N 0.00 0.00 -0.13 0.86 3.07 -1.95 -2.55 114.58 113.88 2qco h GLU 107 Ca 0.00 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2qco h GLU 107 Cb 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2qco h GLU 107 CO 0.00 0.48 0.10 0.00 -1.40 0.00 0.00 179.01 178.20 2qco h ALA 108 N 0.52 2.01 0.02 3.43 0.00 -1.70 -0.05 119.26 123.49 2qco h ALA 108 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 2qco h ALA 108 Cb 0.48 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.31 2qco h ALA 108 CO 0.00 -0.17 -1.08 0.28 0.00 0.00 0.00 179.25 178.28 2qco h VAL 109 N 0.00 1.28 -0.57 0.00 2.07 -1.57 -2.24 116.25 115.23 2qco h VAL 109 Ca 0.06 -2.28 -0.11 0.00 0.82 0.00 0.00 66.70 65.19 2qco h VAL 109 Cb 0.27 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2qco h VAL 109 CO -0.00 0.70 -0.08 0.00 0.02 0.00 0.00 177.57 178.21 2qco h ALA 110 N 0.39 0.78 0.00 1.67 0.00 -0.71 -1.89 119.26 119.50 2qco h ALA 110 Ca -0.14 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 2qco h ALA 110 Cb 1.73 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2qco h ALA 110 CO 0.21 0.68 -0.67 0.74 0.00 0.00 0.00 179.25 180.21 2qco h PHE 111 N 0.94 0.00 -0.65 0.00 -1.00 -1.18 -3.20 116.94 111.86 2qco h PHE 111 Ca 0.15 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.86 2qco h PHE 111 Cb 0.65 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.19 2qco h PHE 111 CO 0.04 0.67 0.11 0.78 -1.61 0.00 0.00 178.31 178.31 2qco h GLY 112 N 2.39 1.14 1.55 -1.45 0.00 -1.15 -2.49 103.07 103.06 2qco h GLY 112 Ca -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 2qco h GLY 112 CO 0.09 0.69 0.09 0.50 0.00 0.00 0.00 176.54 177.90 2qco h LYS 113 N 1.00 0.58 -0.30 4.80 1.57 -1.34 -1.36 116.57 121.51 2qco h LYS 113 Ca 0.20 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 2qco h LYS 113 Cb 0.42 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2qco h LYS 113 CO 0.01 0.54 -0.34 0.82 -0.57 0.00 0.00 179.45 179.91 2qco h ILE 114 N 0.56 1.29 -0.50 1.86 2.04 -1.51 -2.38 117.51 118.87 2qco h ILE 114 Ca 0.13 -1.52 -0.08 0.00 1.00 0.00 0.00 64.86 64.40 2qco h ILE 114 Cb 0.23 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2qco h ILE 114 CO -0.00 0.49 0.02 0.40 0.00 0.00 0.00 178.15 179.06 2qco h ILE 115 N 0.53 1.26 -0.04 -0.67 2.04 -1.23 -3.05 117.51 116.35 2qco h ILE 115 Ca 0.04 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 2qco h ILE 115 Cb 0.92 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2qco h ILE 115 CO 0.08 0.37 -0.33 1.88 0.00 0.00 0.00 178.15 180.15 2qco h TYR 116 N 0.74 0.08 0.00 1.37 -1.99 -1.25 -2.88 116.97 113.04 2qco h TYR 116 Ca 0.15 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 2qco h TYR 116 Cb 0.49 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 2qco h TYR 116 CO 0.04 0.39 -0.06 0.66 -0.00 0.00 0.00 178.16 179.19 2qco h SER 117 N 0.06 0.00 -0.43 3.88 4.64 -1.33 -3.22 113.55 117.16 2qco h SER 117 Ca 0.01 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2qco h SER 117 Cb 0.62 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.58 2qco h SER 117 CO 0.04 0.06 0.27 0.00 -0.87 0.00 0.00 176.83 176.34 2qco n GLN 118 N -3.13 1.65 0.16 4.77 6.02 -1.09 -4.34 117.38 121.42 2qco n GLN 118 Ca 0.02 -1.34 0.03 0.00 -0.01 0.00 0.00 57.00 55.70 2qco n GLN 118 Cb 0.46 -1.55 0.16 0.00 1.02 0.00 0.00 30.24 30.33 2qco n GLN 118 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 2qco h VAL 119 N 0.55 0.92 -0.48 5.09 3.04 -1.72 -3.17 116.25 120.48 2qco h VAL 119 Ca 0.26 -1.98 -0.14 0.00 -1.01 0.00 0.00 66.70 63.83 2qco h VAL 119 Cb 1.78 2.23 -0.09 0.00 -2.01 0.00 0.00 31.29 33.20 2qco h VAL 119 CO 0.47 0.47 0.10 -1.22 -1.01 0.00 0.00 177.57 176.38 2qco n TYR 120 N -3.37 1.60 -2.34 3.17 4.02 -1.26 -5.00 117.16 113.98 2qco n TYR 120 Ca 0.01 -1.22 -0.42 0.00 -0.01 0.00 0.00 57.90 56.25 2qco n TYR 120 Cb 0.64 -0.52 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 2qco n TYR 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2qco s ASP 121 N -1.76 6.98 0.17 7.72 2.15 -1.20 -4.93 116.67 125.80 2qco s ASP 121 Ca 0.48 2.07 0.17 0.00 0.43 0.00 0.00 52.55 55.70 2qco s ASP 121 Cb 0.40 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 40.42 2qco s ASP 121 CO 0.08 -0.57 1.11 0.50 -0.17 0.00 0.00 175.17 176.12 2qco h LYS 122 N 7.08 0.00 0.00 4.34 3.11 -1.94 -3.33 116.57 125.83 2qco h LYS 122 Ca -0.40 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 2qco h LYS 122 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2qco h LYS 122 CO 0.85 0.31 -0.05 -0.25 -2.81 0.00 0.00 179.45 177.50 2qco n ASP 123 N -2.99 0.41 -3.41 4.20 10.43 -1.26 -4.96 116.55 118.97 2qco n ASP 123 Ca -0.04 0.49 -0.17 0.00 2.57 0.00 0.00 54.79 57.64 2qco n ASP 123 Cb 0.75 -0.57 0.08 0.00 1.84 0.00 0.00 41.12 43.22 2qco n ASP 123 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2qco n ARG 124 N -1.86 -5.47 0.07 -1.24 1.74 -1.25 -4.94 116.66 103.71 2qco n ARG 124 Ca 0.06 0.83 -0.10 0.00 -0.77 0.00 0.00 57.85 57.88 2qco n ARG 124 Cb 0.38 -5.80 0.01 0.00 -1.02 0.00 0.00 32.46 26.04 2qco n ARG 124 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qco h HIS 125 N -1.71 0.43 -0.13 -1.55 3.86 -1.93 -2.68 115.15 111.44 2qco h HIS 125 Ca -0.60 -0.21 -0.20 0.00 -1.16 0.00 0.00 60.37 58.20 2qco h HIS 125 Cb 1.33 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.75 2qco h HIS 125 CO 0.41 0.99 -0.72 1.25 0.86 0.00 0.00 177.93 180.72 2qco h LEU 126 N 0.19 0.68 -0.37 2.43 6.46 -1.92 -2.70 115.31 120.09 2qco h LEU 126 Ca -0.04 -0.44 -0.17 0.00 -0.12 0.00 0.00 57.88 57.11 2qco h LEU 126 Cb 1.42 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.14 2qco h LEU 126 CO 0.13 1.20 -0.50 0.00 -0.62 0.00 0.00 178.44 178.65 2qco h ALA 127 N 0.80 0.55 0.00 1.25 0.00 -1.96 -2.92 119.26 116.98 2qco h ALA 127 Ca -0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 2qco h ALA 127 Cb 1.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2qco h ALA 127 CO 0.14 0.68 -0.53 -0.91 0.00 0.00 0.00 179.25 178.62 2qco h ASN 128 N 0.66 0.00 0.02 0.00 2.35 -1.52 -2.89 115.58 114.20 2qco h ASN 128 Ca 0.03 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.63 2qco h ASN 128 Cb 1.09 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.47 2qco h ASN 128 CO 0.11 0.53 -0.60 -0.25 -1.65 0.00 0.00 177.43 175.58 2qco h TRP 129 N 0.00 0.56 -0.23 1.19 7.01 -1.48 -3.04 115.95 119.96 2qco h TRP 129 Ca -0.01 -0.32 -0.05 0.00 2.11 0.00 0.00 58.89 60.62 2qco h TRP 129 Cb 1.10 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.10 2qco h TRP 129 CO 0.00 1.15 -0.07 0.82 -2.79 0.00 0.00 178.44 177.56 2qco h ILE 130 N -0.19 1.29 0.00 2.65 2.04 -1.60 -1.38 117.51 120.32 2qco h ILE 130 Ca -0.08 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 2qco h ILE 130 Cb 1.33 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2qco h ILE 130 CO 0.12 0.33 -0.05 -0.33 0.00 0.00 0.00 178.15 178.22 2qco h GLU 131 N 0.18 0.00 0.00 2.37 5.08 -1.64 -2.91 114.58 117.66 2qco h GLU 131 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2qco h GLU 131 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2qco h GLU 131 CO 0.03 0.05 -0.93 0.09 -1.00 0.00 0.00 179.01 177.25 2qco n ASN 132 N -3.19 0.83 -1.34 1.42 3.02 -1.15 -4.46 115.26 110.39 2qco n ASN 132 Ca -0.00 -0.73 -0.10 0.00 -0.03 0.00 0.00 54.58 53.72 2qco n ASN 132 Cb 0.30 1.13 0.13 0.00 -0.61 0.00 0.00 39.78 40.73 2qco n ASN 132 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qco n ASN 133 N -1.50 3.37 0.11 6.41 3.02 -0.52 -4.76 115.26 121.39 2qco n ASN 133 Ca 0.02 -3.82 -0.01 0.00 -0.03 0.00 0.00 54.58 50.74 2qco n ASN 133 Cb 0.28 -0.52 0.24 0.00 -0.61 0.00 0.00 39.78 39.17 2qco n ASN 133 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2qco h GLN 134 N 1.47 0.18 0.00 3.52 5.75 -1.73 -2.90 115.11 121.40 2qco h GLN 134 Ca 0.22 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2qco h GLN 134 Cb 1.35 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.89 2qco h GLN 134 CO 0.46 0.58 0.00 -0.56 -2.65 0.00 0.00 178.83 176.66 2qco h GLN 135 N 0.15 0.00 0.00 1.69 -0.00 -1.90 -3.27 115.11 111.78 2qco h GLN 135 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2qco h GLN 135 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.30 2qco h GLN 135 CO 0.06 0.00 -0.57 0.09 -0.00 0.00 0.00 178.83 178.41 2qco n ASN 136 N -2.35 0.56 -4.77 0.06 4.13 -1.10 -4.91 115.26 106.89 2qco n ASN 136 Ca 0.05 -0.10 -0.34 0.00 1.68 0.00 0.00 54.58 55.88 2qco n ASN 136 Cb 0.44 0.24 0.04 0.00 -1.54 0.00 0.00 39.78 38.96 2qco n ASN 136 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2qco s PHE 137 N -3.07 2.60 -0.86 3.10 2.99 -1.23 -4.81 117.98 116.70 2qco s PHE 137 Ca 0.09 1.55 0.24 0.00 0.00 0.00 0.00 56.93 58.81 2qco s PHE 137 Cb 0.16 -3.22 0.95 0.00 0.00 0.00 0.00 43.02 40.91 2qco s PHE 137 CO 0.71 -1.72 1.75 -1.13 -0.00 0.00 0.00 175.22 174.83 2qco n SER 138 N -2.13 0.30 0.26 1.36 3.41 -1.26 -2.90 113.62 112.65 2qco n SER 138 Ca 0.11 0.54 0.15 0.00 -0.26 0.00 0.00 58.87 59.41 2qco n SER 138 Cb 0.52 -0.62 0.57 0.00 -0.26 0.00 0.00 64.21 64.41 2qco n SER 138 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 2qco h TYR 139 N 0.00 0.00 0.00 7.33 -0.00 -1.92 -2.94 116.97 119.44 2qco h TYR 139 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 2qco h TYR 139 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.21 2qco h TYR 139 CO 0.00 0.05 -0.05 -0.91 -0.00 0.00 0.00 178.16 177.25 2qco h ASN 140 N 0.00 0.00 -0.12 0.10 2.35 -1.88 -2.43 115.58 113.59 2qco h ASN 140 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2qco h ASN 140 Cb 0.63 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 2qco h ASN 140 CO 0.01 0.05 -0.00 0.40 -1.65 0.00 0.00 177.43 176.23 2qco h ILE 141 N 0.00 1.26 -0.52 2.81 2.04 -1.74 -3.01 117.51 118.35 2qco h ILE 141 Ca -0.00 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 2qco h ILE 141 Cb 0.39 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2qco h ILE 141 CO 0.01 0.24 -0.01 -0.07 0.00 0.00 0.00 178.15 178.32 2qco h LEU 142 N -0.05 0.86 -1.61 1.44 3.38 -1.68 -3.04 115.31 114.61 2qco h LEU 142 Ca 0.03 -0.23 0.14 0.00 0.09 0.00 0.00 57.88 57.92 2qco h LEU 142 Cb 0.37 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2qco h LEU 142 CO 0.01 0.93 0.48 -0.03 0.09 0.00 0.00 178.44 179.91 2qco h MET 143 N 0.82 0.39 -0.18 1.13 4.05 -1.38 0.41 114.93 120.16 2qco h MET 143 Ca 0.15 -0.02 -0.17 0.00 -0.28 0.00 0.00 59.70 59.38 2qco h MET 143 Cb 0.50 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2qco h MET 143 CO 0.03 0.26 -0.59 0.78 0.23 0.00 0.00 176.91 177.61 2qco h GLY 144 N 0.40 0.65 1.66 1.39 0.00 -1.41 -2.99 103.07 102.77 2qco h GLY 144 Ca 0.34 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 2qco h GLY 144 CO -0.10 0.71 -0.46 0.74 0.00 0.00 0.00 176.54 177.42 2qco h PHE 145 N 0.44 0.45 0.00 5.60 -1.00 -0.97 -2.52 116.94 118.94 2qco h PHE 145 Ca -0.00 -0.14 -0.13 0.00 2.81 0.00 0.00 57.97 60.51 2qco h PHE 145 Cb 1.15 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.60 2qco h PHE 145 CO 0.05 0.77 -0.61 0.74 -1.61 0.00 0.00 178.31 177.65 2qco h PHE 146 N 0.30 0.00 0.00 -0.55 -1.00 -1.27 -3.19 116.94 111.23 2qco h PHE 146 Ca 0.02 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.60 2qco h PHE 146 Cb 0.93 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.46 2qco h PHE 146 CO 0.03 0.61 -0.99 0.87 -1.61 0.00 0.00 178.31 177.22 2qco h LYS 147 N 0.00 0.00 0.00 1.51 1.57 -1.42 -3.19 116.57 115.04 2qco h LYS 147 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qco h LYS 147 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2qco h LYS 147 CO 0.08 0.85 0.00 1.04 -0.57 0.00 0.00 179.45 180.85 2qco n GLN 148 N -3.29 0.03 -2.59 3.15 1.13 -0.96 -4.83 117.38 110.03 2qco n GLN 148 Ca -0.01 0.09 -0.34 0.00 -1.94 0.00 0.00 57.00 54.79 2qco n GLN 148 Cb 0.91 -1.54 -0.04 0.00 0.11 0.00 0.00 30.24 29.68 2qco n GLN 148 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2qco s GLN 149 N -3.02 3.88 0.15 -1.09 2.00 -1.21 -4.97 119.66 115.40 2qco s GLN 149 Ca 0.12 1.33 0.25 0.00 -2.00 0.00 0.00 55.36 55.06 2qco s GLN 149 Cb 0.16 -2.12 0.93 0.00 0.80 0.00 0.00 33.01 32.78 2qco s GLN 149 CO 0.48 -0.36 1.77 0.09 -0.50 0.00 0.00 175.29 176.77 2qco n ASN 150 N -0.88 0.50 -4.72 6.67 5.03 -1.26 -4.77 115.26 115.83 2qco n ASN 150 Ca 0.09 0.57 -0.42 0.00 0.87 0.00 0.00 54.58 55.69 2qco n ASN 150 Cb 0.53 -0.70 -0.03 0.00 -1.02 0.00 0.00 39.78 38.56 2qco n ASN 150 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2qco s ASN 151 N -3.94 7.07 0.30 6.41 3.04 -1.26 -4.94 114.94 121.61 2qco s ASN 151 Ca 0.10 2.06 0.07 0.00 0.04 0.00 0.00 52.86 55.13 2qco s ASN 151 Cb 0.13 -2.58 0.46 0.00 -1.54 0.00 0.00 41.25 37.71 2qco s ASN 151 CO 0.51 -0.46 1.69 0.28 -3.04 0.00 0.00 177.10 176.08 2qco h SER 152 N 6.54 0.20 -0.42 -4.21 0.02 -1.97 -2.44 113.55 111.28 2qco h SER 152 Ca -0.42 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.33 2qco h SER 152 Cb 1.21 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2qco h SER 152 CO 0.80 0.62 -0.13 0.22 -1.14 0.00 0.00 176.83 177.20 2qco h TYR 153 N 0.16 0.99 0.00 3.45 3.20 -1.98 -2.66 116.97 120.13 2qco h TYR 153 Ca 0.01 -0.20 -0.10 0.00 3.14 0.00 0.00 58.73 61.58 2qco h TYR 153 Cb 0.85 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2qco h TYR 153 CO 0.01 0.96 -0.48 0.52 -1.64 0.00 0.00 178.16 177.53 2qco h MET 154 N 0.79 0.00 0.20 1.82 2.86 -1.82 -2.89 114.93 115.90 2qco h MET 154 Ca 0.12 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.47 2qco h MET 154 Cb 0.66 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.35 2qco h MET 154 CO 0.05 0.48 -1.26 -0.22 1.06 0.00 0.00 176.91 177.02 2qco h LYS 155 N 0.00 0.51 0.00 1.72 3.11 -1.36 -2.98 116.57 117.57 2qco h LYS 155 Ca -0.00 -0.81 -0.21 0.00 -2.81 0.00 0.00 60.65 56.82 2qco h LYS 155 Cb 1.25 0.29 -0.03 0.00 -1.00 0.00 0.00 32.23 32.74 2qco h LYS 155 CO 0.06 1.38 -1.03 1.57 -2.81 0.00 0.00 179.45 178.62 2qco h LYS 156 N 0.05 0.00 -0.57 1.90 2.10 -1.57 -3.30 116.57 115.18 2qco h LYS 156 Ca -0.21 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.32 2qco h LYS 156 Cb 1.98 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 33.24 2qco h LYS 156 CO 0.24 0.86 0.12 0.09 -2.00 0.00 0.00 179.45 178.76 2qco n ASN 157 N -3.29 4.72 -0.25 7.07 5.03 -1.09 -4.74 115.26 122.71 2qco n ASN 157 Ca -0.02 -3.15 0.02 0.00 0.87 0.00 0.00 54.58 52.30 2qco n ASN 157 Cb 0.93 -0.68 0.14 0.00 -1.02 0.00 0.00 39.78 39.15 2qco n ASN 157 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qco h ALA 158 N 2.72 1.00 -0.20 5.41 0.00 -1.60 0.45 119.26 127.05 2qco h ALA 158 Ca 0.14 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2qco h ALA 158 Cb 2.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2qco h ALA 158 CO 0.54 -0.03 -0.42 1.49 0.00 0.00 0.00 179.25 180.83 2qco h GLU 159 N 0.62 0.63 -0.36 0.00 4.81 -1.88 -2.45 114.58 115.94 2qco h GLU 159 Ca 0.36 -0.42 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 2qco h GLU 159 Cb 0.37 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2qco h GLU 159 CO -0.27 1.04 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.65 2qco h LYS 160 N 0.31 0.67 -0.02 1.92 3.64 -1.79 -1.42 116.57 119.89 2qco h LYS 160 Ca 0.00 -0.24 -0.21 0.00 -1.27 0.00 0.00 60.65 58.93 2qco h LYS 160 Cb 1.03 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2qco h LYS 160 CO 0.09 0.81 -0.86 -0.07 -2.27 0.00 0.00 179.45 177.15 2qco h LEU 161 N 0.60 0.47 -0.44 5.20 3.38 -0.98 -1.82 115.31 121.73 2qco h LEU 161 Ca 0.09 -0.36 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 2qco h LEU 161 Cb 0.64 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2qco h LEU 161 CO 0.05 1.14 -0.43 0.00 0.09 0.00 0.00 178.44 179.28 2qco h ALA 162 N 0.84 0.61 -0.48 1.53 0.00 -1.31 -1.75 119.26 118.70 2qco h ALA 162 Ca -0.06 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 2qco h ALA 162 Cb 1.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2qco h ALA 162 CO 0.15 0.67 -0.20 0.28 0.00 0.00 0.00 179.25 180.15 2qco h VAL 163 N 0.67 1.27 -0.09 0.00 2.07 -1.30 -2.77 116.25 116.11 2qco h VAL 163 Ca 0.05 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 2qco h VAL 163 Cb 1.01 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2qco h VAL 163 CO 0.10 0.47 0.04 0.25 0.02 0.00 0.00 177.57 178.45 2qco h LEU 164 N 0.83 0.11 -1.09 2.57 6.46 -1.23 -1.72 115.31 121.25 2qco h LEU 164 Ca 0.11 -0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 2qco h LEU 164 Cb 0.76 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 2qco h LEU 164 CO 0.06 0.19 0.12 0.15 -0.62 0.00 0.00 178.44 178.35 2qco h PHE 165 N 0.02 0.79 -0.29 1.25 3.57 -1.34 -1.17 116.94 119.77 2qco h PHE 165 Ca 0.03 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.32 2qco h PHE 165 Cb 0.11 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2qco h PHE 165 CO -0.03 0.67 -0.38 0.00 -2.23 0.00 0.00 178.31 176.33 2qco h THR 167 N 0.56 1.27 -0.38 0.00 2.02 -0.83 -1.52 112.91 114.03 2qco h THR 167 Ca 0.05 -1.48 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 2qco h THR 167 Cb 0.91 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 2qco h THR 167 CO 0.08 0.50 0.22 0.24 0.37 0.00 0.00 175.52 176.93 2qco h MET 168 N 0.78 0.52 0.01 6.66 2.07 -1.24 -0.63 114.93 123.10 2qco h MET 168 Ca 0.08 -0.04 -0.10 0.00 -2.07 0.00 0.00 59.70 57.57 2qco h MET 168 Cb 0.89 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.50 2qco h MET 168 CO 0.08 0.38 -0.55 -0.07 1.07 0.00 0.00 176.91 177.82 2qco h LEU 169 N 0.53 0.02 0.10 1.22 3.38 -1.52 -3.41 115.31 115.63 2qco h LEU 169 Ca 0.14 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 2qco h LEU 169 Cb 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qco h LEU 169 CO -0.02 1.22 -0.05 0.50 0.09 0.00 0.00 178.44 180.18 2qco h LYS 170 N -0.97 -0.13 -6.18 1.13 3.64 -1.21 -3.46 116.57 109.39 2qco h LYS 170 Ca -0.15 0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.67 2qco h LYS 170 Cb 1.16 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 2qco h LYS 170 CO -0.08 0.24 -0.55 -1.21 -2.27 0.00 0.00 179.45 175.58 2qco s GLU 171 N -4.59 2.97 -0.20 1.90 0.41 -0.25 -1.79 118.70 117.15 2qco s GLU 171 Ca -0.15 -0.84 0.07 0.00 -0.41 0.00 0.00 54.97 53.65 2qco s GLU 171 Cb 0.02 -2.69 0.52 0.00 -1.78 0.00 0.00 34.13 30.20 2qco s GLU 171 CO 0.62 0.49 1.42 -0.35 -0.49 0.00 0.00 175.26 176.95 2qco n PRO 172 N -0.39 3.06 -0.06 0.39 -0.04 -1.26 -4.63 135.00 132.07 2qco n PRO 172 Ca -0.08 -2.07 -0.14 0.00 -0.04 0.00 0.00 63.50 61.17 2qco n PRO 172 Cb 0.55 -1.94 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 2qco n PRO 172 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2qco h TYR 173 N 2.05 0.69 -0.24 0.54 -1.99 -1.85 -1.36 116.97 114.81 2qco h TYR 173 Ca 0.13 -0.23 -0.08 0.00 2.00 0.00 0.00 58.73 60.55 2qco h TYR 173 Cb 1.73 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 40.31 2qco h TYR 173 CO 0.84 0.96 -0.20 1.25 -0.00 0.00 0.00 178.16 181.00 2qco h HIS 174 N 0.23 0.46 -0.22 4.88 2.76 -1.71 -0.27 115.15 121.29 2qco h HIS 174 Ca 0.02 -0.08 -0.08 0.00 -2.20 0.00 0.00 60.37 58.02 2qco h HIS 174 Cb 0.89 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 2qco h HIS 174 CO 0.09 0.60 -0.22 1.25 -1.30 0.00 0.00 177.93 178.34 2qco h HIS 175 N 0.38 0.43 0.08 5.26 6.17 -1.78 -1.92 115.15 123.78 2qco h HIS 175 Ca 0.06 -0.08 -0.25 0.00 0.71 0.00 0.00 60.37 60.81 2qco h HIS 175 Cb 0.57 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.38 2qco h HIS 175 CO 0.02 0.60 -1.15 -0.07 0.71 0.00 0.00 177.93 178.03 2qco h LEU 176 N 0.36 0.27 -0.52 0.26 3.38 -0.92 -3.04 115.31 115.10 2qco h LEU 176 Ca 0.06 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2qco h LEU 176 Cb 0.59 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2qco h LEU 176 CO 0.04 1.22 0.16 0.78 0.09 0.00 0.00 178.44 180.74 2qco h ASN 177 N 0.05 0.75 -0.04 -0.43 2.35 -0.86 -2.48 115.58 114.92 2qco h ASN 177 Ca -0.09 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 2qco h ASN 177 Cb 1.89 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 40.06 2qco h ASN 177 CO 0.18 0.76 -0.07 0.58 -1.65 0.00 0.00 177.43 177.22 2qco h VAL 178 N 0.71 1.43 0.20 2.81 2.07 -1.46 -2.98 116.25 119.03 2qco h VAL 178 Ca 0.17 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2qco h VAL 178 Cb 0.27 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2qco h VAL 178 CO -0.01 0.37 -0.10 -0.07 0.02 0.00 0.00 177.57 177.79 2qco h LEU 179 N -0.39 -0.23 -3.08 2.57 3.38 -1.60 -3.40 115.31 112.56 2qco h LEU 179 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2qco h LEU 179 Cb 0.65 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2qco h LEU 179 CO 0.02 0.31 0.00 2.30 0.09 0.00 0.00 178.44 181.16 2qco n ILE 180 N -4.95 1.71 -3.60 1.22 -5.35 -0.96 -5.00 119.36 102.44 2qco n ILE 180 Ca -0.06 -1.58 -0.23 0.00 -0.27 0.00 0.00 62.75 60.61 2qco n ILE 180 Cb 0.22 0.05 0.04 0.00 -1.74 0.00 0.00 39.64 38.22 2qco n ILE 180 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2qco n ASN 181 N -0.33 -3.48 -4.78 7.28 3.02 -1.13 -4.98 115.26 110.86 2qco n ASN 181 Ca 0.15 -0.85 -0.36 0.00 -0.03 0.00 0.00 54.58 53.49 2qco n ASN 181 Cb 0.65 -4.13 -0.02 0.00 -0.61 0.00 0.00 39.78 35.67 2qco n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qco s ALA 182 N -3.55 2.99 0.37 5.41 0.00 -1.07 -4.97 121.76 120.95 2qco s ALA 182 Ca 0.23 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 52.73 2qco s ALA 182 Cb -0.06 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 2qco s ALA 182 CO 0.81 -0.47 1.36 -1.25 0.00 0.00 0.00 175.76 176.21 2qco s PRO 183 N -2.71 4.13 0.43 0.00 0.04 -1.26 -4.58 135.00 131.04 2qco s PRO 183 Ca 0.62 2.30 -0.22 0.00 0.04 0.00 0.00 61.00 63.74 2qco s PRO 183 Cb -0.25 -2.92 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 2qco s PRO 183 CO 0.30 -0.41 0.98 -0.51 0.04 0.00 0.00 177.00 177.40 2qco s LEU 184 N -2.13 3.98 0.20 -3.56 1.43 -1.26 -4.99 118.68 112.35 2qco s LEU 184 Ca 0.53 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 55.12 2qco s LEU 184 Cb -0.41 -4.45 -0.08 0.00 0.03 0.00 0.00 46.19 41.27 2qco s LEU 184 CO 0.54 -0.43 1.20 -0.54 0.23 0.00 0.00 176.35 177.35 2qco s LYS 185 N -3.00 4.50 0.74 1.70 1.02 -1.26 -5.05 119.74 118.38 2qco s LYS 185 Ca 0.61 1.90 -0.12 0.00 0.02 0.00 0.00 55.97 58.38 2qco s LYS 185 Cb -0.13 -3.22 0.03 0.00 -0.52 0.00 0.00 37.83 33.99 2qco s LYS 185 CO 0.17 -0.07 1.11 0.54 -0.92 0.00 0.00 175.35 176.19 2qco s ASN 186 N -0.01 5.15 0.55 2.83 2.20 -1.26 -4.78 114.94 119.61 2qco s ASN 186 Ca 0.52 1.08 0.26 0.00 -0.94 0.00 0.00 52.86 53.78 2qco s ASN 186 Cb -0.33 -1.81 1.44 0.00 -2.00 0.00 0.00 41.25 38.55 2qco s ASN 186 CO 0.38 -1.53 2.01 0.11 -2.94 0.00 0.00 177.10 175.14 2qco h LYS 187 N -0.78 0.00 -0.06 3.55 1.57 -1.98 0.15 116.57 119.00 2qco h LYS 187 Ca -0.45 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.13 2qco h LYS 187 Cb 1.27 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.59 2qco h LYS 187 CO 0.64 0.00 -0.72 -0.22 -0.57 0.00 0.00 179.45 178.57 2qco h LYS 188 N 0.00 0.60 0.00 3.15 3.11 -1.99 -2.57 116.57 118.87 2qco h LYS 188 Ca 0.21 -0.56 -0.09 0.00 -2.81 0.00 0.00 60.65 57.39 2qco h LYS 188 Cb 0.89 0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.25 2qco h LYS 188 CO -0.00 1.18 -0.45 0.93 -2.81 0.00 0.00 179.45 178.30 2qco h GLU 189 N 0.23 0.00 -0.20 1.90 5.08 -1.36 -2.14 114.58 118.09 2qco h GLU 189 Ca -0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2qco h GLU 189 Cb 1.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 2qco h GLU 189 CO 0.15 0.45 -0.11 1.96 -1.00 0.00 0.00 179.01 180.45 2qco h GLN 190 N 0.00 0.43 -0.30 2.33 4.20 -0.83 -2.45 115.11 118.48 2qco h GLN 190 Ca -0.00 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.43 2qco h GLN 190 Cb 0.80 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2qco h GLN 190 CO 0.06 0.72 -0.17 -0.22 -0.67 0.00 0.00 178.83 178.55 2qco h LYS 191 N 0.12 0.53 -0.53 1.46 3.64 -1.37 -2.17 116.57 118.24 2qco h LYS 191 Ca 0.04 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 2qco h LYS 191 Cb 0.60 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2qco h LYS 191 CO 0.03 0.68 -0.09 0.93 -2.27 0.00 0.00 179.45 178.73 2qco h GLU 192 N 0.48 0.98 -0.01 1.90 5.08 -1.38 -2.81 114.58 118.82 2qco h GLU 192 Ca 0.08 -0.35 -0.22 0.00 -1.00 0.00 0.00 59.36 57.87 2qco h GLU 192 Cb 0.57 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2qco h GLU 192 CO 0.04 1.02 -0.92 1.25 -1.00 0.00 0.00 179.01 179.40 2qco h HIS 193 N 0.88 0.64 0.07 4.33 2.76 -1.26 -2.43 115.15 120.14 2qco h HIS 193 Ca 0.14 -0.34 -0.00 0.00 -2.20 0.00 0.00 60.37 57.97 2qco h HIS 193 Cb 0.64 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2qco h HIS 193 CO 0.04 1.15 -0.03 0.28 -1.30 0.00 0.00 177.93 178.07 2qco h VAL 194 N 0.25 1.02 0.00 5.26 2.07 -1.42 -0.24 116.25 123.20 2qco h VAL 194 Ca -0.08 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2qco h VAL 194 Cb 1.55 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2qco h VAL 194 CO 0.16 0.08 -0.12 -0.33 0.02 0.00 0.00 177.57 177.38 2qco h GLU 195 N -0.24 0.00 -0.10 1.57 5.08 -1.56 0.99 114.58 120.31 2qco h GLU 195 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2qco h GLU 195 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2qco h GLU 195 CO 0.02 0.12 -0.34 0.35 -1.00 0.00 0.00 179.01 178.16 2qco h PHE 196 N 0.00 0.54 -0.16 4.33 3.04 -1.17 -2.88 116.94 120.63 2qco h PHE 196 Ca -0.00 -0.22 -0.04 0.00 3.98 0.00 0.00 57.97 61.69 2qco h PHE 196 Cb 0.26 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.68 2qco h PHE 196 CO 0.00 0.95 -0.05 0.28 -2.02 0.00 0.00 178.31 177.47 2qco h VAL 197 N -0.03 1.29 -0.97 1.41 2.07 -0.58 -2.94 116.25 116.51 2qco h VAL 197 Ca -0.01 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.53 2qco h VAL 197 Cb 0.97 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.31 2qco h VAL 197 CO 0.07 0.31 0.63 0.58 0.02 0.00 0.00 177.57 179.17 2qco h VAL 198 N 0.02 1.09 -0.51 2.57 2.07 -0.93 0.91 116.25 121.47 2qco h VAL 198 Ca 0.04 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2qco h VAL 198 Cb 0.50 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2qco h VAL 198 CO 0.02 0.21 0.01 -1.13 0.02 0.00 0.00 177.57 176.70 2qco h ASN 199 N 1.15 0.86 0.43 0.57 -0.00 -1.52 -1.66 115.58 115.42 2qco h ASN 199 Ca 0.42 -0.30 -0.18 0.00 -0.00 0.00 0.00 56.30 56.24 2qco h ASN 199 Cb 0.14 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.22 2qco h ASN 199 CO -0.16 0.95 -0.76 0.58 -0.00 0.00 0.00 177.43 178.03 2qco h VAL 200 N 0.75 1.43 -0.20 2.57 2.07 -1.28 -1.46 116.25 120.14 2qco h VAL 200 Ca 0.15 -2.31 -0.07 0.00 0.82 0.00 0.00 66.70 65.28 2qco h VAL 200 Cb 0.50 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2qco h VAL 200 CO 0.02 0.68 -0.16 0.15 0.02 0.00 0.00 177.57 178.29 2qco h PHE 201 N 0.17 0.54 0.04 1.57 3.57 -0.75 -2.62 116.94 119.45 2qco h PHE 201 Ca -0.03 -0.15 -0.18 0.00 3.53 0.00 0.00 57.97 61.13 2qco h PHE 201 Cb 1.34 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2qco h PHE 201 CO 0.03 0.79 -0.96 -0.07 -2.23 0.00 0.00 178.31 175.87 2qco h LEU 202 N 0.13 0.12 0.00 0.59 3.38 -1.38 -3.42 115.31 114.74 2qco h LEU 202 Ca 0.04 -0.75 -0.12 0.00 0.09 0.00 0.00 57.88 57.13 2qco h LEU 202 Cb 0.68 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2qco h LEU 202 CO 0.04 1.40 -2.03 0.59 0.09 0.00 0.00 178.44 178.53 2qco n ASN 203 N -4.32 0.48 0.00 -0.43 3.02 -0.58 -5.10 115.26 108.34 2qco n ASN 203 Ca -0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 2qco n ASN 203 Cb 0.70 1.56 0.00 0.00 -0.61 0.00 0.00 39.78 41.43 2qco n ASN 203 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qco n GLY 204 N 1.56 -0.98 0.01 7.41 0.00 -0.99 -4.72 105.19 107.48 2qco n GLY 204 Ca -0.13 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2qco n GLY 204 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qco n ILE 205 N 0.00 0.14 -1.51 -0.61 0.00 -1.26 -4.10 119.36 112.02 2qco n ILE 205 Ca 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 62.75 62.22 2qco n ILE 205 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 39.64 39.34 2qco n ILE 205 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2qco n ASN 206 N -1.91 7.56 0.00 9.51 3.02 -1.26 -5.16 115.26 127.02 2qco n ASN 206 Ca -0.04 -2.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.81 2qco n ASN 206 Cb 0.38 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 2qco n ASN 206 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10