#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q9c n PRO 7 N 0.00 0.34 -2.81 3.23 -0.02 -1.26 -4.88 135.00 129.61 1q9c n PRO 7 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1q9c n PRO 7 Cb 0.00 -1.29 -0.02 0.00 -0.02 0.00 0.00 33.50 32.17 1q9c n PRO 7 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1q9c n TYR 8 N -0.79 -2.83 -2.42 6.00 9.36 -1.26 -4.90 117.16 120.32 1q9c n TYR 8 Ca 0.05 1.55 -0.41 0.00 3.32 0.00 0.00 57.90 62.40 1q9c n TYR 8 Cb 0.02 -2.91 -0.04 0.00 -0.63 0.00 0.00 39.34 35.78 1q9c n TYR 8 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1q9c s GLU 9 N -0.71 4.53 -0.08 2.98 2.12 -1.26 -4.96 118.70 121.32 1q9c s GLU 9 Ca -0.14 1.83 -0.07 0.00 0.36 0.00 0.00 54.97 56.95 1q9c s GLU 9 Cb 0.01 -3.24 -0.28 0.00 0.26 0.00 0.00 34.13 30.88 1q9c s GLU 9 CO 0.51 -0.01 0.51 0.74 -0.54 0.00 0.00 175.26 176.48 1q9c h PHE 10 N 4.99 0.54 -2.69 5.30 -1.00 -1.94 -3.42 116.94 118.72 1q9c h PHE 10 Ca -0.45 -0.39 -0.69 0.00 2.81 0.00 0.00 57.97 59.25 1q9c h PHE 10 Cb 1.21 -0.02 -0.36 0.00 3.61 0.00 0.00 35.95 40.39 1q9c h PHE 10 CO 0.62 1.69 -0.02 1.19 -1.61 0.00 0.00 178.31 180.18 1q9c n PHE 11 N -3.49 3.29 -4.45 -0.55 0.99 -1.26 -1.60 117.46 110.39 1q9c n PHE 11 Ca -0.28 -3.62 -0.27 0.00 -0.00 0.00 0.00 57.45 53.28 1q9c n PHE 11 Cb 1.06 -0.92 -0.13 0.00 -1.00 0.00 0.00 39.48 38.49 1q9c n PHE 11 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1q9c s SER 12 N -1.74 2.99 0.32 4.37 1.04 -1.26 -4.64 113.70 114.78 1q9c s SER 12 Ca 0.34 -0.69 0.24 0.00 0.48 0.00 0.00 55.95 56.33 1q9c s SER 12 Cb 0.07 -0.20 1.07 0.00 0.10 0.00 0.00 66.02 67.05 1q9c s SER 12 CO 0.00 0.15 1.09 -0.62 0.98 0.00 0.00 173.24 174.85 1q9c n GLU 13 N 1.16 -0.02 -0.09 4.02 1.02 -1.26 0.18 120.64 125.65 1q9c n GLU 13 Ca -0.18 0.86 -0.18 0.00 -0.02 0.00 0.00 57.16 57.64 1q9c n GLU 13 Cb 0.53 -1.73 -0.12 0.00 -0.02 0.00 0.00 31.44 30.10 1q9c n GLU 13 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1q9c h GLU 14 N 0.00 0.00 0.16 3.49 4.81 -1.96 -3.42 114.58 117.65 1q9c h GLU 14 Ca 0.62 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.50 1q9c h GLU 14 Cb 2.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.46 1q9c h GLU 14 CO -0.28 0.96 -1.80 -0.91 -0.73 0.00 0.00 179.01 176.25 1q9c h ASN 15 N -1.00 0.53 -0.86 1.04 2.35 -0.73 -3.41 115.58 113.51 1q9c h ASN 15 Ca -0.20 -0.88 0.09 0.00 -0.55 0.00 0.00 56.30 54.76 1q9c h ASN 15 Cb 1.14 -0.17 -0.11 0.00 0.05 0.00 0.00 38.32 39.23 1q9c h ASN 15 CO -0.12 1.75 -0.48 0.00 -1.65 0.00 0.00 177.43 176.94 1q9c n ALA 16 N -2.87 -0.48 0.00 -0.83 0.00 0.46 0.65 120.51 117.45 1q9c n ALA 16 Ca -0.26 0.75 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1q9c n ALA 16 Cb 1.07 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.35 1q9c n ALA 16 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1q9c n PRO 17 N -5.11 0.00 0.00 0.00 -0.02 -1.26 -0.98 135.00 127.63 1q9c n PRO 17 Ca 0.03 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.55 1q9c n PRO 17 Cb 0.24 -1.18 -0.01 0.00 -0.02 0.00 0.00 33.50 32.53 1q9c n PRO 17 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1q9c n LYS 18 N -0.67 2.67 0.00 -0.52 5.02 0.21 -4.75 118.16 120.11 1q9c n LYS 18 Ca 0.00 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1q9c n LYS 18 Cb 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1q9c n LYS 18 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1q9c n TRP 19 N -0.50 0.00 -1.71 2.13 7.02 -0.15 -4.90 117.44 119.32 1q9c n TRP 19 Ca 0.03 0.00 -0.60 0.00 -1.02 0.00 0.00 57.50 55.92 1q9c n TRP 19 Cb 0.17 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.99 1q9c n TRP 19 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1q9c n ARG 20 N -2.21 0.89 -0.93 -0.99 5.12 -0.89 -0.18 116.66 117.47 1q9c n ARG 20 Ca 0.00 0.33 0.00 0.00 -1.93 0.00 0.00 57.85 56.25 1q9c n ARG 20 Cb 0.37 -1.97 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 1q9c n ARG 20 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q9c n GLY 21 N 4.07 0.34 0.27 -0.13 0.00 -1.26 -4.88 105.19 103.60 1q9c n GLY 21 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 1q9c n GLY 21 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1q9c h LEU 22 N 0.00 0.97 0.00 0.99 5.85 -0.92 -3.24 115.31 118.96 1q9c h LEU 22 Ca 0.00 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1q9c h LEU 22 Cb 0.33 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1q9c h LEU 22 CO 0.00 1.20 -1.02 0.18 -0.34 0.00 0.00 178.44 178.47 1q9c n LEU 23 N -4.07 0.63 -0.08 2.25 4.77 -1.26 -4.41 117.00 114.83 1q9c n LEU 23 Ca -0.01 -0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 55.80 1q9c n LEU 23 Cb 0.51 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1q9c n LEU 23 CO 0.48 0.09 0.76 0.58 -1.33 0.00 0.00 177.39 177.96 1q9c h VAL 24 N 0.00 0.54 0.06 4.08 2.07 -1.84 0.24 116.25 121.40 1q9c h VAL 24 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1q9c h VAL 24 Cb 0.68 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1q9c h VAL 24 CO 0.00 0.00 -0.41 -0.65 0.02 0.00 0.00 177.57 176.53 1q9c h PRO 25 N -0.10 -0.58 -0.56 1.57 0.11 -1.77 -0.67 132.00 130.00 1q9c h PRO 25 Ca 0.16 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.34 1q9c h PRO 25 Cb 0.35 0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.55 1q9c h PRO 25 CO -0.38 -0.39 0.33 0.00 -0.21 0.00 0.00 178.00 177.35 1q9c h ALA 26 N -0.07 0.72 -0.69 -0.75 0.00 -1.75 -2.39 119.26 114.33 1q9c h ALA 26 Ca 0.04 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1q9c h ALA 26 Cb 0.66 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1q9c h ALA 26 CO -0.27 0.04 0.31 -0.07 0.00 0.00 0.00 179.25 179.26 1q9c h LEU 27 N 0.65 0.37 -0.86 0.00 3.38 -0.02 0.46 115.31 119.29 1q9c h LEU 27 Ca 0.23 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.37 1q9c h LEU 27 Cb 0.05 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1q9c h LEU 27 CO -0.11 0.20 0.51 0.11 0.09 0.00 0.00 178.44 179.23 1q9c h LYS 28 N 0.52 0.83 -0.63 1.13 1.57 -0.61 0.42 116.57 119.79 1q9c h LYS 28 Ca 0.35 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1q9c h LYS 28 Cb 0.42 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1q9c h LYS 28 CO -0.30 0.55 0.37 0.87 -0.57 0.00 0.00 179.45 180.36 1q9c h LYS 29 N 0.85 0.87 0.11 3.15 1.79 -0.78 -1.27 116.57 121.29 1q9c h LYS 29 Ca 0.41 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1q9c h LYS 29 Cb 0.35 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1q9c h LYS 29 CO -0.24 0.63 -0.05 0.28 -1.08 0.00 0.00 179.45 178.99 1q9c h VAL 30 N 0.86 0.98 -0.05 0.50 2.07 0.49 -1.73 116.25 119.37 1q9c h VAL 30 Ca 0.23 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1q9c h VAL 30 Cb -0.00 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1q9c h VAL 30 CO -0.04 0.08 0.09 -0.61 0.02 0.00 0.00 177.57 177.11 1q9c h GLN 31 N -0.31 0.00 0.06 1.57 4.15 -0.07 0.52 115.11 121.04 1q9c h GLN 31 Ca -0.02 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.16 1q9c h GLN 31 Cb 0.25 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 1q9c h GLN 31 CO 0.03 0.00 -1.07 0.78 -1.93 0.00 0.00 178.83 176.63 1q9c h GLY 32 N 0.00 0.32 1.09 2.39 0.00 -0.53 0.69 103.07 107.03 1q9c h GLY 32 Ca 0.02 -0.67 -0.17 0.00 0.00 0.00 0.00 47.33 46.51 1q9c h GLY 32 CO -0.00 0.59 -0.52 1.46 0.00 0.00 0.00 176.54 178.07 1q9c h GLN 33 N 0.12 0.80 0.08 4.80 4.20 -0.09 -2.21 115.11 122.80 1q9c h GLN 33 Ca -0.09 -0.52 -0.27 0.00 0.06 0.00 0.00 58.65 57.82 1q9c h GLN 33 Cb 1.76 0.07 0.03 0.00 0.30 0.00 0.00 27.48 29.63 1q9c h GLN 33 CO 0.17 1.15 -1.11 0.28 -0.67 0.00 0.00 178.83 178.66 1q9c h VAL 34 N 0.55 1.31 -2.36 -0.54 2.07 -1.31 -3.41 116.25 112.56 1q9c h VAL 34 Ca 0.01 -2.37 -0.56 0.00 0.82 0.00 0.00 66.70 64.59 1q9c h VAL 34 Cb 1.14 2.65 -0.37 0.00 -1.52 0.00 0.00 31.29 33.19 1q9c h VAL 34 CO 0.12 0.72 -0.92 -1.00 0.02 0.00 0.00 177.57 176.51 1q9c s HIS 35 N -3.04 0.84 0.14 1.57 3.76 0.23 -4.97 115.29 113.82 1q9c s HIS 35 Ca -0.10 -2.02 -0.18 0.00 -0.15 0.00 0.00 55.06 52.60 1q9c s HIS 35 Cb 0.05 -0.85 0.01 0.00 1.11 0.00 0.00 32.58 32.91 1q9c s HIS 35 CO 0.91 -0.85 1.72 -1.35 -0.85 0.00 0.00 174.74 174.33 1q9c h PRO 36 N 6.03 0.11 -0.95 8.40 0.11 -1.55 -2.98 132.00 141.17 1q9c h PRO 36 Ca 0.20 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.33 1q9c h PRO 36 Cb 0.94 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.97 1q9c h PRO 36 CO 0.32 0.07 0.62 1.15 -0.21 0.00 0.00 178.00 179.96 1q9c h THR 37 N 0.12 1.18 -4.13 -1.15 2.02 -1.93 -3.44 112.91 105.58 1q9c h THR 37 Ca 0.12 -0.42 -0.53 0.00 0.77 0.00 0.00 66.41 66.36 1q9c h THR 37 Cb 0.15 -0.15 0.13 0.00 -1.74 0.00 0.00 68.15 66.53 1q9c h THR 37 CO -0.19 0.22 0.44 -0.76 0.37 0.00 0.00 175.52 175.61 1q9c s LEU 38 N -10.15 3.53 0.27 2.58 1.43 -1.12 -4.96 118.68 110.25 1q9c s LEU 38 Ca -0.13 2.35 -0.05 0.00 -1.03 0.00 0.00 54.13 55.27 1q9c s LEU 38 Cb 0.18 -4.59 -0.05 0.00 0.03 0.00 0.00 46.19 41.76 1q9c s LEU 38 CO 0.81 -1.82 0.53 -0.70 0.23 0.00 0.00 176.35 175.40 1q9c s GLU 39 N -3.59 3.64 0.10 1.70 2.12 -0.90 -4.96 118.70 116.79 1q9c s GLU 39 Ca 0.76 -0.01 -0.02 0.00 0.36 0.00 0.00 54.97 56.06 1q9c s GLU 39 Cb -0.29 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.45 1q9c s GLU 39 CO 0.38 0.25 0.11 0.43 -0.54 0.00 0.00 175.26 175.89 1q9c n SER 40 N -0.78 -0.48 0.00 -1.70 7.64 -1.26 -3.30 113.62 113.74 1q9c n SER 40 Ca -0.02 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1q9c n SER 40 Cb 0.54 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1q9c n SER 40 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1q9c n ASN 41 N -3.12 0.00 -0.46 6.43 2.85 -1.26 -4.67 115.26 115.03 1q9c n ASN 41 Ca 0.01 0.00 0.39 0.00 -0.11 0.00 0.00 54.58 54.87 1q9c n ASN 41 Cb 0.05 0.00 0.71 0.00 1.24 0.00 0.00 39.78 41.78 1q9c n ASN 41 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1q9c h ASP 42 N 0.00 0.13 0.01 1.20 3.45 -1.97 0.30 116.42 119.54 1q9c h ASP 42 Ca 0.00 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.51 1q9c h ASP 42 Cb 0.00 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1q9c h ASP 42 CO 0.00 -0.04 -0.00 -0.78 -1.57 0.00 0.00 179.24 176.84 1q9c h ASP 43 N 0.08 -0.01 0.21 6.45 1.82 -1.97 -2.13 116.42 120.88 1q9c h ASP 43 Ca 0.75 -0.32 -0.01 0.00 -0.39 0.00 0.00 57.03 57.05 1q9c h ASP 43 Cb 2.66 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.68 1q9c h ASP 43 CO -0.17 0.32 -0.10 0.00 -1.61 0.00 0.00 179.24 177.68 1q9c h ALA 44 N 0.66 -0.29 -0.07 -0.78 0.00 -0.83 -3.06 119.26 114.88 1q9c h ALA 44 Ca -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1q9c h ALA 44 Cb 0.33 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1q9c h ALA 44 CO 0.00 -0.39 0.24 -0.07 0.00 0.00 0.00 179.25 179.03 1q9c h LEU 45 N -0.82 0.00 -0.23 0.00 -0.00 -0.94 0.53 115.31 113.85 1q9c h LEU 45 Ca -0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.67 1q9c h LEU 45 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 1q9c h LEU 45 CO 0.05 0.00 -0.85 -0.61 -0.00 0.00 0.00 178.44 177.03 1q9c h GLN 46 N 0.00 0.00 -0.10 1.13 4.15 -1.32 -2.84 115.11 116.13 1q9c h GLN 46 Ca 0.04 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1q9c h GLN 46 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1q9c h GLN 46 CO -0.00 0.85 -0.29 -0.92 -1.93 0.00 0.00 178.83 176.54 1q9c h TYR 47 N 0.00 0.49 -0.90 3.99 3.20 0.13 -3.06 116.97 120.81 1q9c h TYR 47 Ca -0.01 -0.19 0.07 0.00 3.14 0.00 0.00 58.73 61.74 1q9c h TYR 47 Cb 1.54 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 39.66 1q9c h TYR 47 CO 0.00 0.90 0.56 0.28 -1.64 0.00 0.00 178.16 178.27 1q9c h VAL 48 N -0.06 1.03 -0.90 1.81 2.07 -1.42 0.15 116.25 118.94 1q9c h VAL 48 Ca -0.01 -0.34 0.12 0.00 0.82 0.00 0.00 66.70 67.29 1q9c h VAL 48 Cb 0.90 -0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 1q9c h VAL 48 CO 0.06 0.18 0.58 -0.08 0.02 0.00 0.00 177.57 178.33 1q9c h GLU 49 N 1.00 0.80 -0.25 1.57 4.81 -1.46 0.19 114.58 121.24 1q9c h GLU 49 Ca 0.40 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1q9c h GLU 49 Cb 0.22 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1q9c h GLU 49 CO -0.19 0.53 0.04 0.93 -0.73 0.00 0.00 179.01 179.59 1q9c h GLU 50 N 0.82 0.42 -0.59 1.92 5.08 -0.89 -0.41 114.58 120.92 1q9c h GLU 50 Ca 0.43 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1q9c h GLU 50 Cb 0.53 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1q9c h GLU 50 CO -0.20 0.54 0.20 -0.07 -1.00 0.00 0.00 179.01 178.49 1q9c h LEU 51 N 0.23 0.86 -0.70 1.33 3.38 -0.57 -1.26 115.31 118.58 1q9c h LEU 51 Ca 0.08 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1q9c h LEU 51 Cb 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1q9c h LEU 51 CO 0.00 0.83 -0.25 0.40 0.09 0.00 0.00 178.44 179.52 1q9c h ILE 52 N 0.84 1.27 -0.30 1.22 1.08 -0.61 -2.00 117.51 119.02 1q9c h ILE 52 Ca 0.19 -1.36 -0.12 0.00 -0.39 0.00 0.00 64.86 63.18 1q9c h ILE 52 Cb 0.27 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 1q9c h ILE 52 CO -0.01 0.45 -0.31 -0.07 -0.69 0.00 0.00 178.15 177.52 1q9c h LEU 53 N 0.64 0.67 -0.71 1.44 3.38 -0.88 -0.67 115.31 119.18 1q9c h LEU 53 Ca 0.09 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1q9c h LEU 53 Cb 0.75 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1q9c h LEU 53 CO 0.06 0.94 0.47 1.56 0.09 0.00 0.00 178.44 181.56 1q9c h GLN 54 N 0.55 0.93 -0.29 1.13 4.20 -0.99 0.02 115.11 120.66 1q9c h GLN 54 Ca 0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1q9c h GLN 54 Cb 0.81 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1q9c h GLN 54 CO 0.07 0.61 0.19 1.25 -0.67 0.00 0.00 178.83 180.28 1q9c h LEU 55 N 0.96 0.34 -0.58 1.46 5.85 -0.88 -2.57 115.31 119.89 1q9c h LEU 55 Ca 0.26 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.03 1q9c h LEU 55 Cb -0.10 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1q9c h LEU 55 CO -0.06 0.25 0.29 0.25 -0.34 0.00 0.00 178.44 178.82 1q9c h LEU 56 N 0.39 0.40 -1.59 2.25 5.85 -0.37 0.02 115.31 122.27 1q9c h LEU 56 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1q9c h LEU 56 Cb -0.04 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1q9c h LEU 56 CO -0.02 0.26 0.00 -3.20 -0.34 0.00 0.00 178.44 175.14 1q9c n ASN 57 N -4.88 0.21 0.00 1.25 5.15 -0.08 -1.59 115.26 115.33 1q9c n ASN 57 Ca 0.06 -0.20 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1q9c n ASN 57 Cb 0.17 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 1q9c n ASN 57 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1q9c n LEU 59 N 0.74 0.00 0.10 1.20 4.77 -0.01 -1.30 117.00 122.50 1q9c n LEU 59 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1q9c n LEU 59 Cb 0.04 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1q9c n LEU 59 CO 0.00 0.00 0.29 0.00 -1.33 0.00 0.00 177.39 176.35 1q9c h GLN 61 N 0.00 0.00 -1.12 0.00 4.15 -1.47 0.29 115.11 116.95 1q9c h GLN 61 Ca -0.01 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.08 1q9c h GLN 61 Cb 1.58 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 29.09 1q9c h GLN 61 CO 0.10 0.00 0.42 0.00 -1.93 0.00 0.00 178.83 177.41 1q9c n ALA 62 N -2.51 4.61 -3.11 3.38 0.00 -1.24 -4.93 120.51 116.71 1q9c n ALA 62 Ca 0.15 -1.77 -0.06 0.00 0.00 0.00 0.00 53.44 51.75 1q9c n ALA 62 Cb 0.89 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1q9c n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q9c n GLN 63 N -0.29 -0.50 -1.90 0.00 1.13 0.10 -4.82 117.38 111.10 1q9c n GLN 63 Ca 0.35 -0.06 -0.38 0.00 -1.94 0.00 0.00 57.00 54.98 1q9c n GLN 63 Cb 1.01 -0.15 0.03 0.00 0.11 0.00 0.00 30.24 31.23 1q9c n GLN 63 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1q9c s PRO 64 N -3.57 3.23 0.00 -1.09 0.02 -1.26 -4.94 135.00 127.39 1q9c s PRO 64 Ca 0.03 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1q9c s PRO 64 Cb -0.02 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1q9c s PRO 64 CO 0.17 -1.07 0.47 0.54 -0.33 0.00 0.00 177.00 176.78 1q9c n ARG 65 N -0.99 0.00 -3.55 5.54 1.74 -1.26 -5.05 116.66 113.09 1q9c n ARG 65 Ca 0.10 -0.45 -0.07 0.00 -0.77 0.00 0.00 57.85 56.65 1q9c n ARG 65 Cb 0.46 -0.40 -0.03 0.00 -1.02 0.00 0.00 32.46 31.48 1q9c n ARG 65 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1q9c s SER 66 N -0.11 -0.28 0.11 0.55 1.04 -1.26 -4.88 113.70 108.87 1q9c s SER 66 Ca 0.00 0.06 -0.31 0.00 0.48 0.00 0.00 55.95 56.19 1q9c s SER 66 Cb 0.00 0.28 -0.10 0.00 0.10 0.00 0.00 66.02 66.31 1q9c s SER 66 CO 0.00 -0.43 1.59 0.00 0.98 0.00 0.00 173.24 175.38 1q9c h ALA 67 N 2.09 -0.72 -0.89 5.32 0.00 -1.92 -1.67 119.26 121.47 1q9c h ALA 67 Ca -0.17 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 54.84 1q9c h ALA 67 Cb 1.20 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 19.61 1q9c h ALA 67 CO 0.28 -0.97 0.58 1.03 0.00 0.00 0.00 179.25 180.17 1q9c h SER 68 N -0.64 0.54 -0.89 0.00 0.87 -2.00 -0.31 113.55 111.12 1q9c h SER 68 Ca 0.02 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1q9c h SER 68 Cb 0.67 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 1q9c h SER 68 CO -0.24 0.25 0.58 0.44 -0.53 0.00 0.00 176.83 177.33 1q9c h ASP 69 N 0.56 0.93 -0.23 6.23 3.32 -1.70 -1.95 116.42 123.56 1q9c h ASP 69 Ca 0.46 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.33 1q9c h ASP 69 Cb 0.92 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1q9c h ASP 69 CO -0.20 0.62 -0.49 0.58 -1.72 0.00 0.00 179.24 178.02 1q9c h VAL 70 N 1.06 1.28 -0.83 -1.35 2.07 -0.84 -3.01 116.25 114.64 1q9c h VAL 70 Ca 0.37 -1.68 0.08 0.00 0.82 0.00 0.00 66.70 66.28 1q9c h VAL 70 Cb 0.11 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 1q9c h VAL 70 CO -0.13 0.55 0.49 -0.08 0.02 0.00 0.00 177.57 178.43 1q9c h GLU 71 N 0.64 0.84 0.03 1.57 4.81 -1.05 -1.39 114.58 120.03 1q9c h GLU 71 Ca 0.03 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1q9c h GLU 71 Cb 1.08 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1q9c h GLU 71 CO 0.11 0.56 -0.02 0.93 -0.73 0.00 0.00 179.01 179.86 1q9c h GLU 72 N 0.87 -0.04 0.16 1.92 5.08 -1.36 0.30 114.58 121.51 1q9c h GLU 72 Ca 0.38 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1q9c h GLU 72 Cb 0.27 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1q9c h GLU 72 CO -0.21 -0.00 -0.43 -0.09 -1.00 0.00 0.00 179.01 177.28 1q9c h ARG 73 N -0.07 -0.67 -0.75 2.33 9.65 -1.25 -0.81 114.38 122.83 1q9c h ARG 73 Ca -0.00 0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.00 1q9c h ARG 73 Cb 0.05 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 28.72 1q9c h ARG 73 CO 0.01 -0.44 0.41 0.28 2.80 0.00 0.00 179.97 183.02 1q9c h VAL 74 N -0.69 0.91 0.00 0.20 2.07 -1.22 0.13 116.25 117.65 1q9c h VAL 74 Ca 0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1q9c h VAL 74 Cb 0.70 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1q9c h VAL 74 CO -0.22 0.13 0.00 1.67 0.02 0.00 0.00 177.57 179.17 1q9c n GLN 75 N -4.79 0.02 -0.07 1.57 7.27 0.09 -1.36 117.38 120.10 1q9c n GLN 75 Ca 0.11 0.32 -0.08 0.00 0.07 0.00 0.00 57.00 57.43 1q9c n GLN 75 Cb 0.24 -1.50 -0.10 0.00 2.41 0.00 0.00 30.24 31.29 1q9c n GLN 75 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1q9c n LYS 76 N -1.48 1.46 -0.11 3.69 5.02 0.34 -4.81 118.16 122.28 1q9c n LYS 76 Ca 0.03 0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 1q9c n LYS 76 Cb 0.11 -1.36 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 1q9c n LYS 76 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1q9c n SER 77 N -2.62 1.99 -4.68 4.39 3.41 -0.51 -4.98 113.62 110.63 1q9c n SER 77 Ca -0.24 0.07 -0.46 0.00 -0.26 0.00 0.00 58.87 57.98 1q9c n SER 77 Cb 0.93 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 1q9c n SER 77 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1q9c n PHE 78 N -3.53 2.38 -0.52 7.33 3.01 -0.47 -4.96 117.46 120.71 1q9c n PHE 78 Ca -0.40 0.11 -0.28 0.00 1.01 0.00 0.00 57.45 57.89 1q9c n PHE 78 Cb 0.85 -2.62 0.26 0.00 -0.01 0.00 0.00 39.48 37.96 1q9c n PHE 78 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1q9c s PRO 79 N 2.07 -1.24 0.02 -1.08 0.02 -1.26 -4.18 135.00 129.35 1q9c s PRO 79 Ca 0.83 0.74 -0.16 0.00 0.02 0.00 0.00 61.00 62.42 1q9c s PRO 79 Cb -0.64 -1.52 -0.06 0.00 0.02 0.00 0.00 34.50 32.30 1q9c s PRO 79 CO 0.41 -3.91 0.46 -1.58 -0.33 0.00 0.00 177.00 172.05 1q9c s HIS 80 N -2.44 3.76 -0.12 6.54 2.46 -1.26 0.37 115.29 124.59 1q9c s HIS 80 Ca 0.69 1.09 0.16 0.00 0.47 0.00 0.00 55.06 57.46 1q9c s HIS 80 Cb -0.24 -2.36 0.15 0.00 -0.13 0.00 0.00 32.58 29.99 1q9c s HIS 80 CO 0.64 0.62 1.48 -1.35 -2.47 0.00 0.00 174.74 173.67 1q9c h PRO 81 N 4.67 0.00 -1.07 2.88 0.11 -2.01 -3.46 132.00 133.11 1q9c h PRO 81 Ca -0.51 0.00 0.39 0.00 0.11 0.00 0.00 66.00 66.00 1q9c h PRO 81 Cb 1.22 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.17 1q9c h PRO 81 CO 0.62 0.48 0.62 0.97 -0.21 0.00 0.00 178.00 180.48 1q9c h ILE 82 N 0.00 0.12 -0.50 4.15 6.09 -1.89 -0.69 117.51 124.79 1q9c h ILE 82 Ca -0.00 -0.04 -0.01 0.00 -1.37 0.00 0.00 64.86 63.44 1q9c h ILE 82 Cb 1.32 -0.01 -0.02 0.00 0.47 0.00 0.00 36.82 38.57 1q9c h ILE 82 CO 0.06 0.02 0.28 -2.24 -3.07 0.00 0.00 178.15 173.21 1q9c h ASP 83 N 0.12 0.62 0.59 2.19 2.03 -0.25 0.21 116.42 121.93 1q9c h ASP 83 Ca 0.81 -0.08 -0.03 0.00 -0.73 0.00 0.00 57.03 57.00 1q9c h ASP 83 Cb 2.15 -0.16 0.01 0.00 -0.83 0.00 0.00 39.33 40.49 1q9c h ASP 83 CO -0.64 0.53 -0.28 0.11 -1.03 0.00 0.00 179.24 177.92 1q9c h LYS 84 N 0.67 -0.76 -0.68 4.15 1.57 -1.41 -2.80 116.57 117.31 1q9c h LYS 84 Ca 0.18 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.16 1q9c h LYS 84 Cb 0.03 0.17 -0.12 0.00 0.08 0.00 0.00 32.23 32.40 1q9c h LYS 84 CO -0.03 -0.51 -0.00 -1.49 -0.57 0.00 0.00 179.45 176.85 1q9c h TRP 85 N -1.15 -0.05 0.14 -1.35 -0.00 -1.41 0.26 115.95 112.38 1q9c h TRP 85 Ca -0.08 0.05 0.02 0.00 -0.00 0.00 0.00 58.89 58.88 1q9c h TRP 85 Cb 0.61 0.13 -0.04 0.00 -0.00 0.00 0.00 29.16 29.86 1q9c h TRP 85 CO 0.01 -0.20 -0.36 0.00 -0.00 0.00 0.00 178.44 177.89 1q9c h ALA 86 N 1.63 -0.63 -0.18 1.49 0.00 -0.63 0.66 119.26 121.60 1q9c h ALA 86 Ca 0.36 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1q9c h ALA 86 Cb 0.61 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1q9c h ALA 86 CO -0.60 -0.92 0.09 0.82 0.00 0.00 0.00 179.25 178.65 1q9c h ILE 87 N -0.60 1.00 -0.30 0.00 2.04 -1.03 0.31 117.51 118.93 1q9c h ILE 87 Ca 0.02 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1q9c h ILE 87 Cb 0.62 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 1q9c h ILE 87 CO -0.20 0.04 -0.31 0.00 0.00 0.00 0.00 178.15 177.68 1q9c h ALA 88 N 1.09 -0.22 -0.59 1.87 0.00 -0.15 0.51 119.26 121.78 1q9c h ALA 88 Ca 0.07 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1q9c h ALA 88 Cb 0.01 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1q9c h ALA 88 CO -0.05 -0.73 0.02 0.22 0.00 0.00 0.00 179.25 178.71 1q9c h ASP 89 N -0.29 0.97 -0.06 0.00 -0.00 -0.65 -2.21 116.42 114.19 1q9c h ASP 89 Ca 0.15 -0.26 0.00 0.00 -0.00 0.00 0.00 57.03 56.92 1q9c h ASP 89 Cb 0.53 -0.26 -0.00 0.00 -0.00 0.00 0.00 39.33 39.59 1q9c h ASP 89 CO -0.46 1.02 0.04 0.00 -0.00 0.00 0.00 179.24 179.83 1q9c h ALA 90 N 1.09 0.07 -0.59 -0.78 0.00 0.98 -2.45 119.26 117.58 1q9c h ALA 90 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1q9c h ALA 90 Cb 0.51 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1q9c h ALA 90 CO 0.02 -0.43 0.35 0.37 0.00 0.00 0.00 179.25 179.57 1q9c h GLN 91 N 0.07 0.80 -0.16 0.00 5.75 0.03 -1.60 115.11 120.01 1q9c h GLN 91 Ca 0.02 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1q9c h GLN 91 Cb 0.00 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 1q9c h GLN 91 CO -0.00 0.58 0.21 1.03 -2.65 0.00 0.00 178.83 178.00 1q9c h SER 92 N 0.80 0.00 0.06 -0.69 0.87 -1.10 -1.15 113.55 112.33 1q9c h SER 92 Ca 0.21 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.57 1q9c h SER 92 Cb -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1q9c h SER 92 CO -0.04 0.00 -0.76 0.00 -0.53 0.00 0.00 176.83 175.50 1q9c h ALA 93 N 1.72 0.45 -0.36 6.23 0.00 -0.82 -3.09 119.26 123.39 1q9c h ALA 93 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1q9c h ALA 93 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1q9c h ALA 93 CO -0.00 0.72 0.00 0.44 0.00 0.00 0.00 179.25 180.41 1q9c n ILE 94 N -3.88 1.08 0.32 0.00 -5.35 -0.45 -3.51 119.36 107.56 1q9c n ILE 94 Ca -0.06 -0.67 0.03 0.00 -0.27 0.00 0.00 62.75 61.79 1q9c n ILE 94 Cb 0.73 -0.08 -0.02 0.00 -1.74 0.00 0.00 39.64 38.53 1q9c n ILE 94 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1q9c n GLU 95 N 0.50 3.36 -0.78 6.28 2.13 -1.10 -4.98 120.64 126.05 1q9c n GLU 95 Ca 0.15 -0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1q9c n GLU 95 Cb 0.58 -0.92 0.00 0.00 0.27 0.00 0.00 31.44 31.37 1q9c n GLU 95 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1q9c n LYS 96 N -0.69 -1.06 -1.05 5.31 5.02 -1.23 -4.94 118.16 119.52 1q9c n LYS 96 Ca 0.02 0.27 -0.32 0.00 -2.02 0.00 0.00 58.31 56.25 1q9c n LYS 96 Cb 0.13 -4.72 0.13 0.00 -0.02 0.00 0.00 35.03 30.55 1q9c n LYS 96 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1q9c s ARG 97 N -1.51 1.59 0.92 1.97 1.70 -1.26 -4.93 118.95 117.43 1q9c s ARG 97 Ca 0.00 1.61 -0.15 0.00 -0.47 0.00 0.00 55.73 56.72 1q9c s ARG 97 Cb 0.00 -1.79 -0.04 0.00 -0.57 0.00 0.00 34.95 32.55 1q9c s ARG 97 CO 0.00 -2.22 0.02 1.63 -1.08 0.00 0.00 175.30 173.65 1q9c n LYS 98 N -3.54 -0.11 -3.67 3.89 5.02 -1.26 -4.97 118.16 113.52 1q9c n LYS 98 Ca 0.12 -0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1q9c n LYS 98 Cb 0.51 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 33.89 1q9c n LYS 98 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1q9c s ARG 99 N -2.90 0.71 0.01 1.97 0.52 -1.26 -5.09 118.95 112.91 1q9c s ARG 99 Ca 0.53 0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 56.44 1q9c s ARG 99 Cb -0.23 0.34 -0.09 0.00 0.52 0.00 0.00 34.95 35.49 1q9c s ARG 99 CO 0.71 -0.09 1.01 0.00 0.02 0.00 0.00 175.30 176.96 1q9c h ARG 100 N 5.25 -0.53 -4.22 3.54 3.08 -2.06 -3.39 114.38 116.04 1q9c h ARG 100 Ca -0.28 0.04 -0.74 0.00 0.07 0.00 0.00 59.98 59.06 1q9c h ARG 100 Cb 1.17 0.12 -0.27 0.00 0.08 0.00 0.00 29.97 31.07 1q9c h ARG 100 CO 0.12 -0.36 -0.32 -0.80 -1.07 0.00 0.00 179.97 177.55 1q9c s ASN 101 N -3.31 5.93 0.95 7.04 0.01 -1.26 -5.07 114.94 119.22 1q9c s ASN 101 Ca -0.08 -1.80 -0.17 0.00 -0.71 0.00 0.00 52.86 50.10 1q9c s ASN 101 Cb 0.01 -2.10 -0.13 0.00 0.41 0.00 0.00 41.25 39.44 1q9c s ASN 101 CO 0.24 -0.75 -0.60 -2.65 -1.51 0.00 0.00 177.10 171.84 1q9c n PRO 102 N 5.07 -0.02 -0.86 -0.60 -0.02 -1.26 -4.90 135.00 132.40 1q9c n PRO 102 Ca -0.11 -0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.04 1q9c n PRO 102 Cb 0.41 -1.11 0.12 0.00 -0.02 0.00 0.00 33.50 32.90 1q9c n PRO 102 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1q9c n LEU 103 N 2.83 0.88 0.00 2.45 7.94 -1.26 -5.00 117.00 124.84 1q9c n LEU 103 Ca -0.00 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 1q9c n LEU 103 Cb 0.55 -1.28 0.00 0.00 0.53 0.00 0.00 43.42 43.22 1q9c n LEU 103 CO 0.53 -3.17 0.00 -1.20 -1.11 0.00 0.00 177.39 172.44 1q9c n SER 104 N -1.83 0.00 -2.89 1.96 7.64 -1.26 -5.09 113.62 112.15 1q9c n SER 104 Ca 0.09 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.64 1q9c n SER 104 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 1q9c n SER 104 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1q9c n LEU 105 N -1.54 -0.72 -3.83 -3.43 4.32 -1.26 -4.62 117.00 105.91 1q9c n LEU 105 Ca 0.00 0.74 -0.35 0.00 -0.02 0.00 0.00 56.01 56.38 1q9c n LEU 105 Cb 0.00 -0.62 -0.12 0.00 -1.62 0.00 0.00 43.42 41.06 1q9c n LEU 105 CO 0.00 -1.87 1.34 -2.65 -1.22 0.00 0.00 177.39 172.98 1q9c n PRO 106 N 0.69 0.03 -0.29 3.23 -0.02 -1.26 -4.71 135.00 132.67 1q9c n PRO 106 Ca 0.12 -1.18 -0.01 0.00 -2.02 0.00 0.00 63.50 60.41 1q9c n PRO 106 Cb 0.15 -2.89 0.11 0.00 -0.02 0.00 0.00 33.50 30.86 1q9c n PRO 106 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1q9c h VAL 107 N 5.51 1.08 0.00 -1.45 3.04 -1.99 0.35 116.25 122.79 1q9c h VAL 107 Ca 0.18 -0.33 -0.06 0.00 -1.01 0.00 0.00 66.70 65.48 1q9c h VAL 107 Cb 0.79 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 1q9c h VAL 107 CO 1.71 0.17 -0.28 -0.33 -1.01 0.00 0.00 177.57 177.83 1q9c h GLU 108 N 0.95 0.00 0.00 4.17 4.39 -1.98 -1.18 114.58 120.94 1q9c h GLU 108 Ca 0.34 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.80 1q9c h GLU 108 Cb 0.09 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1q9c h GLU 108 CO -0.14 0.28 -1.44 0.87 -1.16 0.00 0.00 179.01 177.41 1q9c h LYS 109 N 0.00 0.00 0.20 2.33 1.57 -1.61 -3.38 116.57 115.68 1q9c h LYS 109 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1q9c h LYS 109 Cb 0.62 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.95 1q9c h LYS 109 CO 0.04 0.54 -1.47 0.82 -0.57 0.00 0.00 179.45 178.81 1q9c h ILE 110 N 0.00 1.28 -0.19 1.86 2.04 -0.17 -3.33 117.51 118.99 1q9c h ILE 110 Ca -0.19 -2.78 0.05 0.00 1.00 0.00 0.00 64.86 62.94 1q9c h ILE 110 Cb 1.84 2.95 -0.07 0.00 -0.74 0.00 0.00 36.82 40.80 1q9c h ILE 110 CO 0.08 0.84 -0.43 -0.74 0.00 0.00 0.00 178.15 177.90 1q9c h HIS 111 N 0.12 -1.23 -0.32 1.37 2.76 -1.39 0.64 115.15 117.09 1q9c h HIS 111 Ca -0.24 0.05 0.09 0.00 -2.20 0.00 0.00 60.37 58.08 1q9c h HIS 111 Cb 2.10 0.57 -0.01 0.00 1.55 0.00 0.00 27.41 31.61 1q9c h HIS 111 CO 0.10 -0.47 0.25 -1.35 -1.30 0.00 0.00 177.93 175.16 1q9c h PRO 112 N -0.46 0.00 0.00 5.26 0.11 -1.75 0.15 132.00 135.31 1q9c h PRO 112 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1q9c h PRO 112 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1q9c h PRO 112 CO -0.43 0.00 -0.04 1.28 -0.21 0.00 0.00 178.00 178.60 1q9c n LEU 113 N -4.26 0.17 0.06 2.35 4.77 0.09 -3.68 117.00 116.51 1q9c n LEU 113 Ca 0.05 0.48 -0.21 0.00 -0.03 0.00 0.00 56.01 56.30 1q9c n LEU 113 Cb 0.42 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.92 1q9c n LEU 113 CO 0.34 -0.02 0.02 -0.07 -1.33 0.00 0.00 177.39 176.32 1q9c h LEU 114 N 0.00 0.59 0.00 2.23 3.38 0.58 -3.13 115.31 118.96 1q9c h LEU 114 Ca 0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1q9c h LEU 114 Cb 0.54 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1q9c h LEU 114 CO 0.00 1.45 0.01 0.29 0.09 0.00 0.00 178.44 180.28 1q9c n LYS 115 N -4.04 0.00 -0.04 1.13 5.02 -1.21 -0.19 118.16 118.83 1q9c n LYS 115 Ca -0.14 0.32 0.01 0.00 -2.02 0.00 0.00 58.31 56.48 1q9c n LYS 115 Cb 0.87 -1.51 -0.14 0.00 -0.02 0.00 0.00 35.03 34.23 1q9c n LYS 115 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1q9c n GLU 116 N -1.31 0.90 0.11 1.97 2.13 -1.21 -3.23 120.64 120.00 1q9c n GLU 116 Ca 0.00 -0.09 0.01 0.00 0.66 0.00 0.00 57.16 57.74 1q9c n GLU 116 Cb 0.01 -1.43 -0.02 0.00 0.27 0.00 0.00 31.44 30.28 1q9c n GLU 116 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1q9c h VAL 117 N 0.00 0.88 0.00 6.31 2.07 -0.52 -3.36 116.25 121.63 1q9c h VAL 117 Ca -0.21 -2.30 -0.31 0.00 0.82 0.00 0.00 66.70 64.70 1q9c h VAL 117 Cb 1.39 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 33.49 1q9c h VAL 117 CO 0.01 0.50 -2.15 0.18 0.02 0.00 0.00 177.57 176.13 1q9c n LEU 118 N -3.16 1.04 0.00 2.57 4.77 -0.86 -4.91 117.00 116.45 1q9c n LEU 118 Ca -0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1q9c n LEU 118 Cb 0.78 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1q9c n LEU 118 CO 0.42 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1q9c n GLY 119 N 2.17 0.39 3.31 -0.72 0.00 -1.20 -5.05 105.19 104.08 1q9c n GLY 119 Ca -0.30 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 1q9c n GLY 119 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1q9c s TYR 120 N -2.13 1.49 0.68 1.61 -0.85 -1.25 -5.00 117.35 111.91 1q9c s TYR 120 Ca 0.00 -1.04 -0.12 0.00 -0.52 0.00 0.00 57.07 55.39 1q9c s TYR 120 Cb 0.00 -0.87 0.00 0.00 0.38 0.00 0.00 41.96 41.47 1q9c s TYR 120 CO 0.00 -0.18 1.06 0.21 -1.52 0.00 0.00 175.55 175.11 1q9c s LYS 121 N -3.94 2.98 -0.18 -3.49 2.20 -1.26 -4.45 119.74 111.60 1q9c s LYS 121 Ca 0.31 1.00 -0.13 0.00 -0.36 0.00 0.00 55.97 56.79 1q9c s LYS 121 Cb 0.07 -1.99 0.05 0.00 -1.51 0.00 0.00 37.83 34.44 1q9c s LYS 121 CO 0.10 -1.07 0.45 0.42 -0.36 0.00 0.00 175.35 174.89 1q9c s ILE 122 N -2.95 -0.01 0.69 5.43 1.01 -1.26 -5.03 121.20 119.09 1q9c s ILE 122 Ca 0.59 0.04 -0.17 0.00 0.00 0.00 0.00 60.65 61.11 1q9c s ILE 122 Cb -0.14 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.69 1q9c s ILE 122 CO 0.52 0.01 1.27 -1.81 0.00 0.00 0.00 174.94 174.94 1q9c s ASP 123 N 0.78 4.33 0.17 3.58 1.01 -1.26 -4.91 116.67 120.37 1q9c s ASP 123 Ca -0.04 2.56 -0.18 0.00 0.71 0.00 0.00 52.55 55.60 1q9c s ASP 123 Cb -0.05 -2.61 0.09 0.00 1.01 0.00 0.00 42.92 41.36 1q9c s ASP 123 CO -0.06 -2.18 1.66 -0.74 0.21 0.00 0.00 175.17 174.06 1q9c h HIS 124 N 0.17 -0.30 -0.93 4.23 -0.00 -2.01 -2.79 115.15 113.52 1q9c h HIS 124 Ca -0.50 0.04 0.12 0.00 -0.00 0.00 0.00 60.37 60.03 1q9c h HIS 124 Cb 1.33 0.19 -0.14 0.00 -0.00 0.00 0.00 27.41 28.79 1q9c h HIS 124 CO 0.43 -0.21 -0.47 0.37 -0.00 0.00 0.00 177.93 178.05 1q9c h GLN 125 N -0.04 -0.03 -0.52 5.26 4.15 -1.99 -0.30 115.11 121.63 1q9c h GLN 125 Ca 0.19 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.71 1q9c h GLN 125 Cb 0.33 0.01 -0.11 0.00 0.21 0.00 0.00 27.48 27.93 1q9c h GLN 125 CO -0.42 -0.02 -0.29 0.28 -1.93 0.00 0.00 178.83 176.44 1q9c h VAL 126 N -0.04 0.24 -0.05 2.39 2.07 -1.86 0.11 116.25 119.12 1q9c h VAL 126 Ca 0.26 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.81 1q9c h VAL 126 Cb 0.53 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1q9c h VAL 126 CO -0.93 0.00 -0.30 0.28 0.02 0.00 0.00 177.57 176.65 1q9c h SER 127 N -0.16 -0.90 -0.93 0.57 0.02 -1.13 0.61 113.55 111.63 1q9c h SER 127 Ca 0.22 0.13 0.21 0.00 -0.84 0.00 0.00 61.79 61.51 1q9c h SER 127 Cb 0.52 0.37 -0.07 0.00 0.14 0.00 0.00 62.40 63.37 1q9c h SER 127 CO -0.62 -0.36 0.61 0.58 -1.14 0.00 0.00 176.83 175.91 1q9c h VAL 128 N -0.42 0.67 0.24 2.27 2.07 -0.34 0.53 116.25 121.27 1q9c h VAL 128 Ca 0.07 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1q9c h VAL 128 Cb 0.53 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1q9c h VAL 128 CO -0.28 0.08 -0.12 0.22 0.02 0.00 0.00 177.57 177.49 1q9c h TYR 129 N 0.44 -0.30 -0.22 1.57 3.20 0.12 -2.01 116.97 119.77 1q9c h TYR 129 Ca 0.49 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.40 1q9c h TYR 129 Cb 1.18 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 1q9c h TYR 129 CO -0.00 0.08 -0.05 0.82 -1.64 0.00 0.00 178.16 177.37 1q9c h ILE 130 N -0.81 0.79 -0.76 1.81 2.04 -0.22 -1.00 117.51 119.35 1q9c h ILE 130 Ca -0.03 -0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.93 1q9c h ILE 130 Cb 0.51 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 1q9c h ILE 130 CO 0.05 0.00 0.39 0.58 0.00 0.00 0.00 178.15 179.18 1q9c h VAL 131 N 0.01 0.83 -0.87 1.67 2.07 -0.99 0.36 116.25 119.34 1q9c h VAL 131 Ca 0.11 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1q9c h VAL 131 Cb 0.16 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.01 1q9c h VAL 131 CO -0.22 0.12 0.57 0.00 0.02 0.00 0.00 177.57 178.05 1q9c h ALA 132 N 1.47 1.13 -0.22 1.67 0.00 -0.52 0.18 119.26 122.97 1q9c h ALA 132 Ca 0.39 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1q9c h ALA 132 Cb 0.44 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1q9c h ALA 132 CO -0.29 0.44 -0.01 0.28 0.00 0.00 0.00 179.25 179.67 1q9c h VAL 133 N 1.12 1.26 -0.29 0.00 2.07 0.28 -1.84 116.25 118.85 1q9c h VAL 133 Ca 0.34 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1q9c h VAL 133 Cb -0.04 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1q9c h VAL 133 CO -0.10 0.28 0.05 -0.07 0.02 0.00 0.00 177.57 177.76 1q9c h LEU 134 N 0.16 0.00 -1.24 2.57 3.38 0.30 -2.22 115.31 118.25 1q9c h LEU 134 Ca 0.06 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1q9c h LEU 134 Cb 0.42 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1q9c h LEU 134 CO 0.01 0.04 -0.00 -0.08 0.09 0.00 0.00 178.44 178.50 1q9c h GLU 135 N 0.16 0.51 0.18 1.13 4.81 -0.59 -1.89 114.58 118.89 1q9c h GLU 135 Ca 0.14 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1q9c h GLU 135 Cb 0.15 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1q9c h GLU 135 CO -0.18 0.54 -0.10 -0.92 -0.73 0.00 0.00 179.01 177.61 1q9c h TYR 136 N 0.49 -0.27 -0.61 0.92 3.20 -0.72 0.16 116.97 120.14 1q9c h TYR 136 Ca 0.11 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1q9c h TYR 136 Cb 0.32 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1q9c h TYR 136 CO 0.01 -0.17 0.32 0.82 -1.64 0.00 0.00 178.16 177.50 1q9c h ILE 137 N -0.27 1.19 0.40 1.81 1.08 -1.34 -0.39 117.51 120.00 1q9c h ILE 137 Ca -0.02 -0.51 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 1q9c h ILE 137 Cb 0.22 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1q9c h ILE 137 CO 0.02 0.22 -0.23 0.28 -0.69 0.00 0.00 178.15 177.75 1q9c h SER 138 N 0.86 -0.57 0.02 1.72 0.02 -0.71 0.33 113.55 115.22 1q9c h SER 138 Ca 0.22 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1q9c h SER 138 Cb 0.05 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1q9c h SER 138 CO -0.03 -0.38 -0.03 0.00 -1.14 0.00 0.00 176.83 175.26 1q9c h ALA 139 N -0.02 1.92 -0.10 3.77 0.00 -0.30 -1.89 119.26 122.63 1q9c h ALA 139 Ca -0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1q9c h ALA 139 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1q9c h ALA 139 CO 0.06 0.06 -0.39 0.22 0.00 0.00 0.00 179.25 179.20 1q9c h ASP 140 N 0.03 0.52 -0.11 0.00 1.82 -0.49 -1.30 116.42 116.89 1q9c h ASP 140 Ca 0.01 -0.62 -0.00 0.00 -0.39 0.00 0.00 57.03 56.02 1q9c h ASP 140 Cb 0.07 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.92 1q9c h ASP 140 CO 0.00 1.06 0.06 0.40 -1.61 0.00 0.00 179.24 179.15 1q9c h ILE 141 N 0.02 1.08 -0.73 2.25 2.04 -0.55 -0.44 117.51 121.18 1q9c h ILE 141 Ca -0.02 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1q9c h ILE 141 Cb 1.03 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 1q9c h ILE 141 CO 0.08 0.07 0.33 -0.07 0.00 0.00 0.00 178.15 178.56 1q9c h LEU 142 N 0.08 0.98 -0.56 1.44 3.38 -1.42 0.51 115.31 119.72 1q9c h LEU 142 Ca 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1q9c h LEU 142 Cb 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1q9c h LEU 142 CO -0.01 0.86 0.33 0.50 0.09 0.00 0.00 178.44 180.21 1q9c h LYS 143 N 1.03 0.77 0.84 1.13 3.64 -1.01 0.78 116.57 123.75 1q9c h LYS 143 Ca 0.25 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1q9c h LYS 143 Cb 0.16 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1q9c h LYS 143 CO -0.03 0.56 -0.40 1.25 -2.27 0.00 0.00 179.45 178.56 1q9c h LEU 144 N 0.75 -0.95 -0.43 5.20 5.85 -0.69 -2.04 115.31 123.00 1q9c h LEU 144 Ca 0.20 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1q9c h LEU 144 Cb 0.00 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1q9c h LEU 144 CO -0.04 -0.60 0.16 0.00 -0.34 0.00 0.00 178.44 177.63 1q9c h ALA 145 N -1.31 0.51 -0.72 1.25 0.00 -0.85 -2.18 119.26 115.97 1q9c h ALA 145 Ca -0.11 0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1q9c h ALA 145 Cb 0.86 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 1q9c h ALA 145 CO 0.19 -0.23 0.28 0.78 0.00 0.00 0.00 179.25 180.27 1q9c h GLY 146 N 0.33 1.06 1.00 0.00 0.00 0.59 -0.09 103.07 105.96 1q9c h GLY 146 Ca 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1q9c h GLY 146 CO -0.19 -0.08 0.30 -0.57 0.00 0.00 0.00 176.54 176.00 1q9c h ASN 147 N 0.43 0.85 -0.10 0.19 -0.73 -0.77 -0.58 115.58 114.86 1q9c h ASN 147 Ca 0.39 -0.14 0.04 0.00 1.87 0.00 0.00 56.30 58.46 1q9c h ASN 147 Cb 0.56 -0.22 -0.05 0.00 0.27 0.00 0.00 38.32 38.88 1q9c h ASN 147 CO -0.38 0.75 -0.19 0.22 -0.37 0.00 0.00 177.43 177.46 1q9c h TYR 148 N 0.89 -0.49 -0.29 0.67 3.20 -0.50 0.08 116.97 120.52 1q9c h TYR 148 Ca 0.22 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.16 1q9c h TYR 148 Cb 0.13 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 1q9c h TYR 148 CO 0.00 -0.27 -0.01 0.28 -1.64 0.00 0.00 178.16 176.53 1q9c h VAL 149 N -0.25 0.78 -0.19 1.81 2.07 -0.92 0.01 116.25 119.56 1q9c h VAL 149 Ca 0.09 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1q9c h VAL 149 Cb 0.38 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1q9c h VAL 149 CO -0.25 0.01 0.25 -0.09 0.02 0.00 0.00 177.57 177.51 1q9c h ARG 150 N 0.08 0.00 0.18 1.57 2.43 -0.16 -1.18 114.38 117.29 1q9c h ARG 150 Ca 0.14 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.99 1q9c h ARG 150 Cb 0.18 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1q9c h ARG 150 CO -0.24 0.00 -1.35 -0.91 -1.51 0.00 0.00 179.97 175.96 1q9c h ASN 151 N 0.00 0.87 -0.20 -3.80 2.35 0.93 -3.29 115.58 112.44 1q9c h ASN 151 Ca 0.09 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 54.98 1q9c h ASN 151 Cb 0.58 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1q9c h ASN 151 CO -0.00 1.66 0.00 2.30 -1.65 0.00 0.00 177.43 179.74 1q9c n ILE 152 N -3.76 0.26 -3.04 2.81 -5.35 -0.51 -4.97 119.36 104.80 1q9c n ILE 152 Ca -0.15 -0.33 -0.05 0.00 -0.27 0.00 0.00 62.75 61.95 1q9c n ILE 152 Cb 1.04 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 1q9c n ILE 152 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1q9c n ARG 153 N 0.22 -1.70 0.00 6.28 5.12 -0.82 -4.99 116.66 120.78 1q9c n ARG 153 Ca 0.14 1.66 0.00 0.00 -1.93 0.00 0.00 57.85 57.72 1q9c n ARG 153 Cb 0.27 -5.45 0.00 0.00 -1.16 0.00 0.00 32.46 26.13 1q9c n ARG 153 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1q9c n HIS 154 N -1.29 0.00 -1.20 -1.55 8.25 -1.19 -5.03 115.22 113.22 1q9c n HIS 154 Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.41 1q9c n HIS 154 Cb 0.50 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 1q9c n HIS 154 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1q9c n TYR 155 N -1.74 0.00 -3.66 4.41 4.02 -1.26 -4.94 117.16 113.99 1q9c n TYR 155 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 1q9c n TYR 155 Cb 0.37 -2.25 -0.11 0.00 -0.02 0.00 0.00 39.34 37.33 1q9c n TYR 155 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1q9c s GLU 156 N -2.41 0.24 -0.90 -0.72 2.12 -1.26 -2.13 118.70 113.65 1q9c s GLU 156 Ca 0.00 0.89 -0.25 0.00 0.36 0.00 0.00 54.97 55.97 1q9c s GLU 156 Cb 0.00 0.15 0.04 0.00 0.26 0.00 0.00 34.13 34.58 1q9c s GLU 156 CO 0.00 -0.26 1.37 0.42 -0.54 0.00 0.00 175.26 176.25 1q9c s ILE 157 N 2.47 3.83 0.59 -3.70 1.01 -1.21 -4.94 121.20 119.26 1q9c s ILE 157 Ca -0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 1q9c s ILE 157 Cb -0.12 -5.00 -0.05 0.00 0.01 0.00 0.00 42.46 37.31 1q9c s ILE 157 CO -0.11 -1.90 1.01 -0.89 0.00 0.00 0.00 174.94 173.05 1q9c s THR 158 N 5.32 4.69 0.22 2.92 2.01 -1.26 -4.63 115.64 124.90 1q9c s THR 158 Ca 0.41 0.92 -0.09 0.00 0.31 0.00 0.00 61.69 63.24 1q9c s THR 158 Cb -0.04 -3.84 0.16 0.00 0.01 0.00 0.00 72.50 68.79 1q9c s THR 158 CO 0.01 -1.05 1.84 0.50 -0.69 0.00 0.00 174.62 175.23 1q9c h LYS 159 N -0.06 0.84 -0.63 4.92 3.64 -1.90 -2.07 116.57 121.30 1q9c h LYS 159 Ca -0.45 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 58.94 1q9c h LYS 159 Cb 1.19 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.76 1q9c h LYS 159 CO 0.62 0.56 0.34 0.37 -2.27 0.00 0.00 179.45 179.06 1q9c h GLN 160 N 0.87 0.60 -0.14 1.90 4.15 -1.98 -2.59 115.11 117.92 1q9c h GLN 160 Ca 0.31 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.73 1q9c h GLN 160 Cb 0.07 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 1q9c h GLN 160 CO -0.13 0.40 -0.09 -0.44 -1.93 0.00 0.00 178.83 176.64 1q9c h ASP 161 N 0.62 -0.29 -0.95 -0.69 3.32 -1.76 -1.74 116.42 114.93 1q9c h ASP 161 Ca 0.29 0.06 0.21 0.00 0.02 0.00 0.00 57.03 57.61 1q9c h ASP 161 Cb 0.20 0.15 -0.11 0.00 0.22 0.00 0.00 39.33 39.79 1q9c h ASP 161 CO -0.19 -0.12 0.53 0.40 -1.72 0.00 0.00 179.24 178.14 1q9c h ILE 162 N -0.09 0.60 0.46 0.35 2.04 -1.19 0.12 117.51 119.79 1q9c h ILE 162 Ca 0.08 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1q9c h ILE 162 Cb 0.21 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1q9c h ILE 162 CO -0.20 0.11 -0.22 0.11 0.00 0.00 0.00 178.15 177.95 1q9c h LYS 163 N 0.60 -0.59 -1.05 2.37 1.57 -1.15 -3.13 116.57 115.19 1q9c h LYS 163 Ca 0.58 0.04 0.27 0.00 -1.87 0.00 0.00 60.65 59.67 1q9c h LYS 163 Cb 1.01 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 33.36 1q9c h LYS 163 CO -0.44 -0.39 0.69 0.28 -0.57 0.00 0.00 179.45 179.01 1q9c h VAL 164 N -0.77 0.51 0.00 0.50 2.07 -0.95 0.12 116.25 117.73 1q9c h VAL 164 Ca -0.06 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1q9c h VAL 164 Cb 0.47 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1q9c h VAL 164 CO 0.10 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1q9c n ALA 165 N -2.51 1.70 0.00 1.67 0.00 0.37 -3.08 120.51 118.66 1q9c n ALA 165 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1q9c n ALA 165 Cb 0.92 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1q9c n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q9c n ALA 168 N 0.09 2.10 -2.53 0.00 0.00 -1.18 -4.96 120.51 114.03 1q9c n ALA 168 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 1q9c n ALA 168 Cb 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.33 1q9c n ALA 168 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1q9c s ASP 169 N -1.20 6.19 0.45 0.00 -1.08 -1.16 -4.96 116.67 114.91 1q9c s ASP 169 Ca 0.00 -0.33 0.11 0.00 -0.52 0.00 0.00 52.55 51.81 1q9c s ASP 169 Cb 0.01 -2.21 1.01 0.00 -1.46 0.00 0.00 42.92 40.27 1q9c s ASP 169 CO 0.04 -0.41 2.07 0.11 0.52 0.00 0.00 175.17 177.50 1q9c h LYS 170 N 8.53 0.36 0.00 4.34 1.57 -1.94 -3.31 116.57 126.12 1q9c h LYS 170 Ca -0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1q9c h LYS 170 Cb 1.13 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1q9c h LYS 170 CO 0.72 0.24 0.00 0.28 -0.57 0.00 0.00 179.45 180.12 1q9c n VAL 171 N -4.49 0.00 0.00 0.50 0.31 -1.26 -2.53 118.33 110.86 1q9c n VAL 171 Ca 0.02 0.82 0.00 0.00 -0.01 0.00 0.00 64.34 65.17 1q9c n VAL 171 Cb 0.12 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1q9c n VAL 171 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1q9c n LEU 172 N -0.97 0.00 -1.30 7.52 4.77 -1.25 -4.80 117.00 120.97 1q9c n LEU 172 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1q9c n LEU 172 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1q9c n LEU 172 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.39 1q9c n ASP 174 N 0.63 0.00 -0.02 -1.43 2.03 -1.05 -4.70 116.55 112.00 1q9c n ASP 174 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1q9c n ASP 174 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1q9c n ASP 174 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1q9c n PHE 176 N -0.45 0.00 0.58 -0.67 3.01 -1.26 -4.76 117.46 113.90 1q9c n PHE 176 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 1q9c n PHE 176 Cb 0.00 0.00 0.31 0.00 -0.01 0.00 0.00 39.48 39.78 1q9c n PHE 176 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1q9c n HIS 177 N 0.00 0.00 0.31 1.38 -0.00 -1.26 -1.73 115.22 113.92 1q9c n HIS 177 Ca 0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.23 1q9c n HIS 177 Cb 0.00 -0.28 0.21 0.00 -0.12 0.00 0.00 29.99 29.80 1q9c n HIS 177 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1q9c n GLN 178 N -1.28 0.01 -0.77 1.57 6.02 -1.26 -5.30 117.38 116.37 1q9c n GLN 178 Ca 0.06 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 1q9c n GLN 178 Cb 0.10 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1q9c n GLN 178 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58