#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1y h VAL 6 N 0.00 0.78 -0.00 1.55 2.07 -1.99 -1.67 116.25 116.99 3g1y h VAL 6 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3g1y h VAL 6 Cb 0.00 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3g1y h VAL 6 CO 0.00 0.08 -0.01 -0.90 0.02 0.00 0.00 177.57 176.76 3g1y n ASP 7 N -4.49 0.07 -4.66 0.57 5.75 -1.26 -4.84 116.55 107.69 3g1y n ASP 7 Ca 0.16 -0.47 -0.25 0.00 -0.01 0.00 0.00 54.79 54.21 3g1y n ASP 7 Cb 0.55 -0.17 -0.07 0.00 -1.03 0.00 0.00 41.12 40.40 3g1y n ASP 7 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3g1y s VAL 8 N -2.38 3.63 0.28 2.12 -7.23 -0.63 -5.09 120.40 111.11 3g1y s VAL 8 Ca 0.35 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 3g1y s VAL 8 Cb 0.21 -2.87 -0.14 0.00 0.56 0.00 0.00 36.38 34.14 3g1y s VAL 8 CO 0.43 -0.21 1.15 0.80 -0.31 0.00 0.00 175.10 176.96 3g1y n MET 9 N -0.42 1.62 -3.65 4.82 0.00 -1.26 -4.85 117.12 113.37 3g1y n MET 9 Ca -0.09 0.57 -0.39 0.00 -0.00 0.00 0.00 57.70 57.80 3g1y n MET 9 Cb 0.57 -2.04 -0.12 0.00 0.00 0.00 0.00 33.22 31.62 3g1y n MET 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3g1y s ASP 10 N -0.33 5.55 -0.28 6.12 3.68 -1.26 -4.99 116.67 125.17 3g1y s ASP 10 Ca 0.61 -0.64 -0.11 0.00 2.13 0.00 0.00 52.55 54.53 3g1y s ASP 10 Cb -0.68 -2.00 -0.05 0.00 -1.45 0.00 0.00 42.92 38.75 3g1y s ASP 10 CO 0.58 -0.24 0.21 -0.69 0.13 0.00 0.00 175.17 175.16 3g1y s VAL 11 N 1.59 5.30 0.04 1.11 1.01 -1.26 -5.01 120.40 123.18 3g1y s VAL 11 Ca 0.04 0.17 -0.34 0.00 0.00 0.00 0.00 61.98 61.84 3g1y s VAL 11 Cb -0.18 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 3g1y s VAL 11 CO 0.06 0.22 1.71 0.80 0.00 0.00 0.00 175.10 177.89 3g1y n MET 12 N 5.08 2.12 -1.43 2.72 1.56 -1.26 -1.35 117.12 124.56 3g1y n MET 12 Ca -0.14 0.77 -0.15 0.00 -0.27 0.00 0.00 57.70 57.91 3g1y n MET 12 Cb 0.52 -2.57 -0.07 0.00 2.15 0.00 0.00 33.22 33.25 3g1y n MET 12 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3g1y n ASN 13 N 4.83 -5.48 -2.19 6.12 5.03 -1.26 -2.64 115.26 119.67 3g1y n ASN 13 Ca 0.20 0.38 -0.14 0.00 0.87 0.00 0.00 54.58 55.89 3g1y n ASN 13 Cb 0.29 -4.41 -0.02 0.00 -1.02 0.00 0.00 39.78 34.62 3g1y n ASN 13 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3g1y n ARG 14 N -1.51 -1.94 -3.97 3.52 1.74 -0.46 -4.94 116.66 109.10 3g1y n ARG 14 Ca -0.15 0.69 -0.29 0.00 -0.77 0.00 0.00 57.85 57.33 3g1y n ARG 14 Cb 0.62 -5.22 -0.16 0.00 -1.02 0.00 0.00 32.46 26.68 3g1y n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3g1y s LEU 15 N -5.23 1.73 -0.17 0.55 2.96 -1.08 -1.11 118.68 116.32 3g1y s LEU 15 Ca 0.00 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.27 3g1y s LEU 15 Cb 0.00 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 3g1y s LEU 15 CO 0.00 -0.11 0.04 -0.63 -1.32 0.00 0.00 176.35 174.33 3g1y s ILE 16 N 1.53 4.61 -0.17 6.68 1.01 0.49 -4.63 121.20 130.71 3g1y s ILE 16 Ca 0.03 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.35 3g1y s ILE 16 Cb -0.14 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 3g1y s ILE 16 CO -0.09 0.48 0.71 -0.22 0.00 0.00 0.00 174.94 175.81 3g1y s LEU 17 N 0.29 4.18 -0.66 2.97 2.96 -0.85 -0.70 118.68 126.88 3g1y s LEU 17 Ca 0.02 1.01 -0.20 0.00 -0.22 0.00 0.00 54.13 54.74 3g1y s LEU 17 Cb -0.13 -3.04 0.10 0.00 0.50 0.00 0.00 46.19 43.63 3g1y s LEU 17 CO 0.01 -0.29 0.83 0.00 -1.32 0.00 0.00 176.35 175.58 3g1y s ALA 18 N 1.80 3.36 -0.97 5.97 0.00 0.17 -0.63 121.76 131.46 3g1y s ALA 18 Ca 0.33 -2.24 -0.18 0.00 0.00 0.00 0.00 51.96 49.87 3g1y s ALA 18 Cb -0.16 -3.69 0.14 0.00 0.00 0.00 0.00 23.12 19.41 3g1y s ALA 18 CO 0.12 -2.55 1.17 1.41 0.00 0.00 0.00 175.76 175.91 3g1y s MET 19 N 2.95 3.67 0.00 0.00 1.75 -0.37 -4.45 119.30 122.84 3g1y s MET 19 Ca 0.17 -1.88 0.22 0.00 -1.25 0.00 0.00 55.69 52.95 3g1y s MET 19 Cb -0.19 -4.94 0.54 0.00 2.84 0.00 0.00 34.83 33.08 3g1y s MET 19 CO 0.05 -1.77 1.45 -0.25 -0.65 0.00 0.00 175.02 173.85 3g1y n ASP 20 N 6.41 2.75 -4.77 1.11 8.00 -1.26 -4.35 116.55 124.44 3g1y n ASP 20 Ca 0.26 -1.89 -0.38 0.00 0.71 0.00 0.00 54.79 53.49 3g1y n ASP 20 Cb 0.48 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 3g1y n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g1y s LEU 21 N -1.52 4.04 0.00 0.64 1.43 -1.26 -4.76 118.68 117.25 3g1y s LEU 21 Ca 0.36 2.47 0.22 0.00 -1.03 0.00 0.00 54.13 56.15 3g1y s LEU 21 Cb 0.20 -4.16 -0.11 0.00 0.03 0.00 0.00 46.19 42.16 3g1y s LEU 21 CO 0.29 -1.01 0.95 0.23 0.23 0.00 0.00 176.35 177.05 3g1y n MET 22 N -0.41 0.06 -3.33 1.70 2.81 -1.26 -4.24 117.12 112.45 3g1y n MET 22 Ca 0.07 -0.01 -0.39 0.00 -1.81 0.00 0.00 57.70 55.56 3g1y n MET 22 Cb 0.46 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.39 3g1y n MET 22 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3g1y s ASN 23 N -3.17 6.42 0.18 7.83 3.84 -1.26 -4.70 114.94 124.09 3g1y s ASN 23 Ca 0.07 0.50 -0.13 0.00 0.21 0.00 0.00 52.86 53.51 3g1y s ASN 23 Cb 0.16 -2.25 0.16 0.00 -0.55 0.00 0.00 41.25 38.77 3g1y s ASN 23 CO 0.84 -0.16 1.75 -0.09 -2.79 0.00 0.00 177.10 176.65 3g1y h ARG 24 N 7.67 0.34 -0.25 0.43 2.43 -1.94 0.77 114.38 123.83 3g1y h ARG 24 Ca -0.33 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.83 3g1y h ARG 24 Cb 1.16 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 3g1y h ARG 24 CO 0.71 0.22 0.12 -0.44 -1.51 0.00 0.00 179.97 179.07 3g1y h ASP 25 N 0.35 0.17 -0.53 -3.80 3.32 -1.99 -0.35 116.42 113.58 3g1y h ASP 25 Ca 0.23 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 3g1y h ASP 25 Cb 0.24 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3g1y h ASP 25 CO -0.23 0.13 -0.04 0.44 -1.72 0.00 0.00 179.24 177.82 3g1y h ASP 26 N 0.25 0.95 -0.23 6.45 3.32 -1.91 -2.03 116.42 123.22 3g1y h ASP 26 Ca 0.10 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 3g1y h ASP 26 Cb 0.04 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3g1y h ASP 26 CO -0.08 1.05 0.13 0.00 -1.72 0.00 0.00 179.24 178.62 3g1y h ALA 27 N 0.94 0.29 -0.59 3.45 0.00 -0.56 -2.36 119.26 120.42 3g1y h ALA 27 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3g1y h ALA 27 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3g1y h ALA 27 CO 0.03 -0.19 0.07 -0.07 0.00 0.00 0.00 179.25 179.09 3g1y h LEU 28 N 0.27 0.97 0.27 0.00 3.38 -1.04 -2.65 115.31 116.51 3g1y h LEU 28 Ca 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3g1y h LEU 28 Cb 0.05 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3g1y h LEU 28 CO -0.01 1.00 -0.16 -0.09 0.09 0.00 0.00 178.44 179.26 3g1y h ARG 29 N 0.90 -0.39 -0.24 1.13 2.43 -1.23 -1.61 114.38 115.37 3g1y h ARG 29 Ca 0.18 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3g1y h ARG 29 Cb 0.46 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3g1y h ARG 29 CO 0.02 -0.26 0.15 0.28 -1.51 0.00 0.00 179.97 178.65 3g1y h VAL 30 N -0.41 1.07 -0.58 0.20 2.07 -1.45 -2.06 116.25 115.10 3g1y h VAL 30 Ca -0.03 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3g1y h VAL 30 Cb 0.33 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3g1y h VAL 30 CO 0.03 0.07 0.37 0.74 0.02 0.00 0.00 177.57 178.80 3g1y h THR 31 N 0.31 1.16 -0.76 2.57 2.02 -1.43 -2.51 112.91 114.28 3g1y h THR 31 Ca 0.09 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3g1y h THR 31 Cb -0.02 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3g1y h THR 31 CO -0.02 0.16 0.31 1.23 0.37 0.00 0.00 175.52 177.57 3g1y h GLY 32 N 0.78 1.20 2.00 2.16 0.00 -1.16 -2.03 103.07 106.02 3g1y h GLY 32 Ca 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3g1y h GLY 32 CO -0.04 0.60 0.00 0.83 0.00 0.00 0.00 176.54 177.93 3g1y h GLU 33 N 1.09 0.00 -0.05 4.80 5.08 -0.94 -2.98 114.58 121.59 3g1y h GLU 33 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3g1y h GLU 33 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3g1y h GLU 33 CO -0.02 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.32 3g1y n VAL 34 N -2.56 0.51 0.29 3.13 0.24 -0.96 -4.27 118.33 114.71 3g1y n VAL 34 Ca 0.00 -0.76 0.17 0.00 -2.04 0.00 0.00 64.34 61.72 3g1y n VAL 34 Cb 0.19 0.77 0.96 0.00 -1.47 0.00 0.00 33.84 34.29 3g1y n VAL 34 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3g1y h ARG 35 N 0.56 0.00 0.00 7.34 9.65 -1.22 0.54 114.38 131.26 3g1y h ARG 35 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3g1y h ARG 35 Cb 0.35 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 3g1y h ARG 35 CO 0.00 0.00 0.00 -0.85 2.80 0.00 0.00 179.97 181.92 3g1y n GLU 36 N -3.63 0.00 -0.02 0.20 0.28 -1.26 -3.53 120.64 112.68 3g1y n GLU 36 Ca -0.02 0.10 -0.02 0.00 -0.16 0.00 0.00 57.16 57.06 3g1y n GLU 36 Cb 0.15 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.47 3g1y n GLU 36 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3g1y n TYR 37 N -1.50 0.00 -4.67 -1.84 4.01 0.03 -5.04 117.16 108.15 3g1y n TYR 37 Ca 0.06 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.57 3g1y n TYR 37 Cb 0.27 -0.25 -0.15 0.00 -0.31 0.00 0.00 39.34 38.90 3g1y n TYR 37 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3g1y s ILE 38 N -2.20 1.14 0.00 -0.72 1.01 -0.31 -4.50 121.20 115.61 3g1y s ILE 38 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3g1y s ILE 38 Cb 0.02 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.54 3g1y s ILE 38 CO 0.24 0.32 0.77 -0.90 0.00 0.00 0.00 174.94 175.37 3g1y n ASP 39 N 2.76 1.47 -3.89 3.58 5.75 -1.26 -4.36 116.55 120.60 3g1y n ASP 39 Ca -0.15 -1.56 -0.25 0.00 -0.01 0.00 0.00 54.79 52.82 3g1y n ASP 39 Cb 0.55 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.47 3g1y n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g1y s THR 40 N -0.56 0.87 -0.06 2.12 2.01 -1.26 0.40 115.64 119.16 3g1y s THR 40 Ca 0.00 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.82 3g1y s THR 40 Cb 0.00 -0.90 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 3g1y s THR 40 CO 0.00 0.33 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.38 3g1y s VAL 41 N 1.54 1.59 -0.27 3.82 1.01 -0.08 -2.00 120.40 126.02 3g1y s VAL 41 Ca 0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 3g1y s VAL 41 Cb -0.13 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3g1y s VAL 41 CO -0.05 0.45 0.14 -0.75 0.00 0.00 0.00 175.10 174.89 3g1y s LYS 42 N 0.11 3.81 0.05 2.72 2.20 0.20 -0.87 119.74 127.97 3g1y s LYS 42 Ca -0.07 -0.40 0.07 0.00 -0.36 0.00 0.00 55.97 55.22 3g1y s LYS 42 Cb -0.13 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 3g1y s LYS 42 CO 0.04 -0.19 -0.17 0.42 -0.36 0.00 0.00 175.35 175.09 3g1y s ILE 43 N 1.69 2.86 0.13 5.43 1.01 -0.36 -1.24 121.20 130.73 3g1y s ILE 43 Ca 0.07 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.51 3g1y s ILE 43 Cb -0.16 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 3g1y s ILE 43 CO 0.08 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3g1y n GLY 44 N 1.44 4.01 0.31 6.18 0.00 -1.26 0.34 105.19 116.21 3g1y n GLY 44 Ca -0.16 -2.23 0.01 0.00 0.00 0.00 0.00 46.02 43.64 3g1y n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g1y h TYR 45 N 1.08 0.68 -0.41 1.61 0.05 -1.95 -2.75 116.97 115.28 3g1y h TYR 45 Ca -0.11 -0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.73 3g1y h TYR 45 Cb 0.34 -0.22 -0.08 0.00 1.01 0.00 0.00 36.73 37.79 3g1y h TYR 45 CO 0.00 0.50 -0.10 -1.35 -1.05 0.00 0.00 178.16 176.17 3g1y h PRO 46 N 0.69 0.00 -0.08 4.88 0.11 -1.94 0.35 132.00 136.00 3g1y h PRO 46 Ca 0.17 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 3g1y h PRO 46 Cb 0.08 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 3g1y h PRO 46 CO -0.02 0.00 -0.10 1.25 -0.21 0.00 0.00 178.00 178.92 3g1y h LEU 47 N 0.00 0.24 -0.81 2.35 5.85 -1.72 -2.76 115.31 118.46 3g1y h LEU 47 Ca 0.20 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 3g1y h LEU 47 Cb 0.30 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3g1y h LEU 47 CO -0.42 0.69 0.27 0.58 -0.34 0.00 0.00 178.44 179.23 3g1y h VAL 48 N -0.22 1.26 -0.03 1.05 2.07 -1.21 0.34 116.25 119.50 3g1y h VAL 48 Ca 0.01 -0.86 -0.15 0.00 0.82 0.00 0.00 66.70 66.52 3g1y h VAL 48 Cb 0.63 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3g1y h VAL 48 CO 0.02 0.34 -0.68 -0.07 0.02 0.00 0.00 177.57 177.21 3g1y h LEU 49 N 1.11 0.18 0.05 2.57 3.38 -0.40 0.31 115.31 122.52 3g1y h LEU 49 Ca 0.25 -0.12 -0.25 0.00 0.09 0.00 0.00 57.88 57.85 3g1y h LEU 49 Cb 0.26 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3g1y h LEU 49 CO -0.01 0.80 -1.15 0.28 0.09 0.00 0.00 178.44 178.45 3g1y h SER 50 N 0.11 0.36 0.00 -0.43 0.02 -1.27 -3.38 113.55 108.96 3g1y h SER 50 Ca -0.01 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3g1y h SER 50 Cb 1.21 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3g1y h SER 50 CO 0.10 1.27 -0.29 -0.62 -1.14 0.00 0.00 176.83 176.14 3g1y n GLU 51 N -3.54 4.98 0.00 3.45 -0.58 0.09 -5.06 120.64 119.98 3g1y n GLU 51 Ca -0.07 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3g1y n GLU 51 Cb 0.98 -0.78 0.00 0.00 -0.57 0.00 0.00 31.44 31.06 3g1y n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1y n GLY 52 N 1.15 2.08 0.30 0.62 0.00 0.11 -4.69 105.19 104.76 3g1y n GLY 52 Ca 0.01 -1.76 0.20 0.00 0.00 0.00 0.00 46.02 44.47 3g1y n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g1y h MET 53 N 0.00 0.00 0.00 1.61 2.86 -1.93 -2.48 114.93 114.99 3g1y h MET 53 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g1y h MET 53 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3g1y h MET 53 CO 0.00 0.00 0.00 -0.44 1.06 0.00 0.00 176.91 177.53 3g1y h ASP 54 N 0.00 0.00 0.52 1.22 3.32 -1.92 -1.79 116.42 117.77 3g1y h ASP 54 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3g1y h ASP 54 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3g1y h ASP 54 CO 0.00 0.00 -0.07 -0.29 -1.72 0.00 0.00 179.24 177.16 3g1y h ILE 55 N 0.00 0.28 -0.04 0.35 2.10 -1.72 -2.64 117.51 115.84 3g1y h ILE 55 Ca 0.00 -0.46 -0.00 0.00 1.08 0.00 0.00 64.86 65.48 3g1y h ILE 55 Cb 0.09 1.35 -0.00 0.00 -1.09 0.00 0.00 36.82 37.16 3g1y h ILE 55 CO 0.00 0.07 0.01 0.40 -1.08 0.00 0.00 178.15 177.55 3g1y h ILE 56 N 0.00 1.19 -0.37 2.19 2.04 -1.56 -1.68 117.51 119.31 3g1y h ILE 56 Ca -0.00 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 3g1y h ILE 56 Cb 0.34 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3g1y h ILE 56 CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.31 3g1y h ALA 57 N 0.79 1.32 -0.55 1.87 0.00 -1.54 -2.44 119.26 118.71 3g1y h ALA 57 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3g1y h ALA 57 Cb 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3g1y h ALA 57 CO 0.00 0.46 0.35 1.49 0.00 0.00 0.00 179.25 181.55 3g1y h GLU 58 N 0.55 0.74 -0.22 0.00 4.81 -1.21 0.32 114.58 119.57 3g1y h GLU 58 Ca 0.12 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3g1y h GLU 58 Cb 0.35 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3g1y h GLU 58 CO 0.01 0.52 0.12 0.74 -0.73 0.00 0.00 179.01 179.67 3g1y h PHE 59 N 0.75 0.30 -0.67 0.92 -1.00 -0.95 -0.06 116.94 116.22 3g1y h PHE 59 Ca 0.20 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.92 3g1y h PHE 59 Cb -0.04 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 3g1y h PHE 59 CO -0.03 0.26 0.22 0.00 -1.61 0.00 0.00 178.31 177.15 3g1y h ARG 60 N 0.25 1.01 0.03 1.51 3.08 -1.10 -1.21 114.38 117.96 3g1y h ARG 60 Ca 0.08 -0.20 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 3g1y h ARG 60 Cb 0.06 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.97 3g1y h ARG 60 CO -0.01 0.86 -0.66 -0.22 -1.07 0.00 0.00 179.97 178.87 3g1y h LYS 61 N 0.98 0.39 0.00 0.04 3.64 -0.82 0.35 116.57 121.16 3g1y h LYS 61 Ca 0.22 -0.46 -0.11 0.00 -1.27 0.00 0.00 60.65 59.03 3g1y h LYS 61 Cb 0.27 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3g1y h LYS 61 CO -0.01 1.14 -0.51 0.00 -2.27 0.00 0.00 179.45 177.80 3g1y h ARG 62 N -0.15 0.00 0.00 1.90 3.08 -1.01 -3.36 114.38 114.84 3g1y h ARG 62 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3g1y h ARG 62 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 3g1y h ARG 62 CO 0.13 0.51 -0.04 1.19 -1.07 0.00 0.00 179.97 180.69 3g1y n PHE 63 N -3.73 0.00 -2.50 3.04 3.72 -0.46 -5.02 117.46 112.52 3g1y n PHE 63 Ca -0.01 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 3g1y n PHE 63 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3g1y n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g1y n GLY 64 N 0.85 -0.32 3.95 1.37 0.00 0.12 -4.99 105.19 106.18 3g1y n GLY 64 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 3g1y n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1y s ARG 66 N -3.71 4.64 -0.14 0.00 3.52 0.16 -4.43 118.95 119.00 3g1y s ARG 66 Ca 0.36 1.30 0.02 0.00 -0.13 0.00 0.00 55.73 57.28 3g1y s ARG 66 Cb -0.10 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3g1y s ARG 66 CO 0.30 0.44 -0.19 0.42 -0.81 0.00 0.00 175.30 175.45 3g1y s ILE 67 N -1.36 2.33 -0.24 4.11 -1.09 -1.26 -0.90 121.20 122.79 3g1y s ILE 67 Ca 0.43 -0.90 -0.06 0.00 -2.23 0.00 0.00 60.65 57.90 3g1y s ILE 67 Cb -0.22 -1.94 -0.02 0.00 -1.58 0.00 0.00 42.46 38.70 3g1y s ILE 67 CO 0.27 0.54 0.02 -0.63 -1.23 0.00 0.00 174.94 173.90 3g1y s ILE 68 N 0.71 3.85 -0.50 2.92 1.01 -0.05 -1.19 121.20 127.95 3g1y s ILE 68 Ca -0.09 -0.34 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 3g1y s ILE 68 Cb -0.16 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.56 3g1y s ILE 68 CO 0.01 0.37 0.96 0.00 0.00 0.00 0.00 174.94 176.28 3g1y s ALA 69 N 1.55 3.19 -1.47 9.38 0.00 0.28 -1.22 121.76 133.48 3g1y s ALA 69 Ca 0.06 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 3g1y s ALA 69 Cb -0.15 -3.71 0.02 0.00 0.00 0.00 0.00 23.12 19.29 3g1y s ALA 69 CO 0.00 -2.20 2.55 -1.71 0.00 0.00 0.00 175.76 174.41 3g1y n ASN 70 N 7.37 7.45 0.03 0.00 5.15 0.15 -1.07 115.26 134.34 3g1y n ASN 70 Ca 0.05 -2.85 0.12 0.00 -0.60 0.00 0.00 54.58 51.30 3g1y n ASN 70 Cb 0.48 -1.50 0.11 0.00 -0.53 0.00 0.00 39.78 38.35 3g1y n ASN 70 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3g1y n PHE 71 N 3.37 0.33 -3.95 1.20 3.72 -1.26 -4.32 117.46 116.55 3g1y n PHE 71 Ca 0.65 0.09 -0.34 0.00 -0.05 0.00 0.00 57.45 57.81 3g1y n PHE 71 Cb 0.27 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 3g1y n PHE 71 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3g1y n LYS 72 N -1.93 -1.43 -1.66 -1.08 5.02 -0.28 -4.78 118.16 112.02 3g1y n LYS 72 Ca 0.03 0.28 -0.49 0.00 -2.02 0.00 0.00 58.31 56.12 3g1y n LYS 72 Cb 0.42 -3.69 -0.05 0.00 -0.02 0.00 0.00 35.03 31.69 3g1y n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g1y n VAL 73 N -4.55 0.15 -2.69 -0.18 0.31 -0.92 -4.34 118.33 106.12 3g1y n VAL 73 Ca -0.18 -0.03 -0.07 0.00 -0.01 0.00 0.00 64.34 64.05 3g1y n VAL 73 Cb 0.62 -1.44 0.06 0.00 -0.91 0.00 0.00 33.84 32.18 3g1y n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g1y n ALA 74 N 4.08 2.67 -3.75 3.52 0.00 -1.26 -0.70 120.51 125.07 3g1y n ALA 74 Ca 0.19 -2.45 -0.00 0.00 0.00 0.00 0.00 53.44 51.18 3g1y n ALA 74 Cb 0.26 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 3g1y n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g1y n ASP 75 N -0.34 1.51 -4.81 0.00 2.03 -1.26 -4.95 116.55 108.72 3g1y n ASP 75 Ca 0.04 -1.02 -0.31 0.00 0.52 0.00 0.00 54.79 54.02 3g1y n ASP 75 Cb 0.83 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 41.29 3g1y n ASP 75 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3g1y s ILE 76 N -0.52 3.85 0.19 5.18 -4.36 -1.26 -4.71 121.20 119.57 3g1y s ILE 76 Ca 0.00 0.60 -0.22 0.00 -0.26 0.00 0.00 60.65 60.78 3g1y s ILE 76 Cb -0.00 -3.31 0.12 0.00 1.25 0.00 0.00 42.46 40.52 3g1y s ILE 76 CO 0.00 -0.79 1.58 -0.65 0.24 0.00 0.00 174.94 175.32 3g1y h PRO 77 N -0.81 -0.15 -0.87 0.37 0.11 -1.87 0.46 132.00 129.24 3g1y h PRO 77 Ca -0.44 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.72 3g1y h PRO 77 Cb 1.22 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3g1y h PRO 77 CO 0.56 -0.10 0.55 1.49 -0.21 0.00 0.00 178.00 180.29 3g1y h GLU 78 N -0.15 1.02 -0.19 1.05 4.81 -1.95 -0.49 114.58 118.68 3g1y h GLU 78 Ca 0.23 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.21 3g1y h GLU 78 Cb 0.56 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3g1y h GLU 78 CO -0.73 0.68 -0.65 1.15 -0.73 0.00 0.00 179.01 178.73 3g1y h THR 79 N 1.05 1.30 -0.95 0.32 2.02 -1.77 -2.58 112.91 112.30 3g1y h THR 79 Ca 0.36 -1.89 0.01 0.00 0.77 0.00 0.00 66.41 65.66 3g1y h THR 79 Cb 0.06 1.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 3g1y h THR 79 CO -0.13 0.60 0.63 0.78 0.37 0.00 0.00 175.52 177.76 3g1y h ASN 80 N 0.51 1.08 -0.24 4.18 4.21 -0.41 0.43 115.58 125.35 3g1y h ASN 80 Ca -0.02 -0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.48 3g1y h ASN 80 Cb 1.24 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 38.16 3g1y h ASN 80 CO 0.13 0.78 0.13 -0.08 -1.29 0.00 0.00 177.43 177.09 3g1y h GLU 81 N 1.27 0.26 -0.64 0.81 4.81 -0.97 -0.83 114.58 119.29 3g1y h GLU 81 Ca 0.35 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3g1y h GLU 81 Cb -0.13 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 3g1y h GLU 81 CO -0.08 0.17 0.16 0.87 -0.73 0.00 0.00 179.01 179.40 3g1y h LYS 82 N 0.26 1.02 -0.29 1.92 1.57 -1.00 -0.29 116.57 119.76 3g1y h LYS 82 Ca 0.09 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3g1y h LYS 82 Cb 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3g1y h LYS 82 CO -0.06 0.92 0.13 0.82 -0.57 0.00 0.00 179.45 180.69 3g1y h ILE 83 N 0.94 1.16 -0.41 1.86 2.04 -0.70 -0.69 117.51 121.71 3g1y h ILE 83 Ca 0.20 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3g1y h ILE 83 Cb 0.35 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3g1y h ILE 83 CO 0.00 0.17 0.19 0.00 0.00 0.00 0.00 178.15 178.51 3g1y h ARG 85 N 0.52 0.70 -0.66 0.00 2.43 -0.88 0.12 114.38 116.62 3g1y h ARG 85 Ca 0.14 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3g1y h ARG 85 Cb 0.12 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3g1y h ARG 85 CO -0.02 0.48 0.14 0.00 -1.51 0.00 0.00 179.97 179.06 3g1y h ALA 86 N 1.18 0.87 -0.43 2.80 0.00 -0.93 0.25 119.26 123.00 3g1y h ALA 86 Ca 0.19 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3g1y h ALA 86 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3g1y h ALA 86 CO -0.04 0.61 -0.14 1.15 0.00 0.00 0.00 179.25 180.82 3g1y h THR 87 N 0.99 1.27 -0.16 0.00 2.02 -0.66 -1.77 112.91 114.60 3g1y h THR 87 Ca 0.20 -1.27 -0.16 0.00 0.77 0.00 0.00 66.41 65.95 3g1y h THR 87 Cb 0.40 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3g1y h THR 87 CO 0.01 0.43 -0.57 -0.26 0.37 0.00 0.00 175.52 175.50 3g1y h PHE 88 N 0.69 0.62 -0.37 3.16 0.04 -0.68 -2.50 116.94 117.90 3g1y h PHE 88 Ca 0.10 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 3g1y h PHE 88 Cb 0.69 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 3g1y h PHE 88 CO 0.05 0.95 0.15 -0.22 -0.60 0.00 0.00 178.31 178.64 3g1y h LYS 89 N 0.38 0.52 0.00 1.51 3.64 -0.78 -0.10 116.57 121.73 3g1y h LYS 89 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3g1y h LYS 89 Cb 1.11 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3g1y h LYS 89 CO 0.10 0.43 0.00 0.00 -2.27 0.00 0.00 179.45 177.71 3g1y n ALA 90 N -2.48 2.14 0.00 5.00 0.00 -0.68 -4.88 120.51 119.61 3g1y n ALA 90 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3g1y n ALA 90 Cb 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3g1y n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1y n GLY 91 N 0.57 0.71 3.74 0.00 0.00 -0.05 -3.56 105.19 106.61 3g1y n GLY 91 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3g1y n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1y n ALA 92 N -1.06 2.45 0.08 4.61 0.00 -0.97 -4.84 120.51 120.77 3g1y n ALA 92 Ca 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 53.44 53.77 3g1y n ALA 92 Cb 0.00 -2.45 -0.08 0.00 0.00 0.00 0.00 19.45 16.92 3g1y n ALA 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g1y h ASP 93 N 4.73 0.00 -5.10 0.00 3.32 -1.50 -3.42 116.42 114.46 3g1y h ASP 93 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 3g1y h ASP 93 Cb 1.23 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.65 3g1y h ASP 93 CO 0.79 0.86 -0.12 0.00 -1.72 0.00 0.00 179.24 179.05 3g1y s ALA 94 N -2.78 -0.76 0.01 3.45 0.00 -1.04 -1.83 121.76 118.80 3g1y s ALA 94 Ca 0.02 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3g1y s ALA 94 Cb 0.09 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 3g1y s ALA 94 CO 0.80 -0.65 -0.04 -1.50 0.00 0.00 0.00 175.76 174.37 3g1y s ILE 95 N -3.83 0.28 -0.19 0.00 2.07 -0.54 -0.55 121.20 118.43 3g1y s ILE 95 Ca 0.05 -0.37 -0.13 0.00 -1.41 0.00 0.00 60.65 58.79 3g1y s ILE 95 Cb 0.02 -0.28 -0.05 0.00 0.13 0.00 0.00 42.46 42.28 3g1y s ILE 95 CO -0.10 -0.06 0.27 -0.63 -1.91 0.00 0.00 174.94 172.51 3g1y s ILE 96 N -0.43 5.31 0.02 2.00 1.01 -0.23 -0.77 121.20 128.10 3g1y s ILE 96 Ca -0.02 0.48 0.07 0.00 0.00 0.00 0.00 60.65 61.18 3g1y s ILE 96 Cb -0.04 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3g1y s ILE 96 CO -0.00 0.36 -0.21 -0.69 0.00 0.00 0.00 174.94 174.40 3g1y s VAL 97 N 0.72 1.70 0.45 2.92 1.01 0.20 -1.12 120.40 126.28 3g1y s VAL 97 Ca 0.15 -1.07 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3g1y s VAL 97 Cb -0.13 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 3g1y s VAL 97 CO 0.04 0.35 1.01 -1.00 0.00 0.00 0.00 175.10 175.50 3g1y s HIS 98 N -0.65 3.16 -0.12 5.22 3.76 0.12 -0.71 115.29 126.06 3g1y s HIS 98 Ca 0.08 1.61 0.20 0.00 -0.15 0.00 0.00 55.06 56.80 3g1y s HIS 98 Cb -0.09 -3.01 -0.30 0.00 1.11 0.00 0.00 32.58 30.29 3g1y s HIS 98 CO 0.01 -0.56 0.47 0.41 -0.85 0.00 0.00 174.74 174.22 3g1y n GLY 99 N -0.21 -0.89 0.38 -2.22 0.00 -1.24 -4.54 105.19 96.47 3g1y n GLY 99 Ca 0.08 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.77 3g1y n GLY 99 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g1y h PHE 100 N 0.00 0.64 0.00 1.61 3.57 -1.94 -0.79 116.94 120.04 3g1y h PHE 100 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3g1y h PHE 100 Cb 0.85 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3g1y h PHE 100 CO 0.00 0.21 0.00 -2.30 -2.23 0.00 0.00 178.31 173.99 3g1y n PRO 101 N -4.53 0.23 0.00 6.41 -0.02 -1.26 -4.98 135.00 130.85 3g1y n PRO 101 Ca 0.18 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3g1y n PRO 101 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 3g1y n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1y n GLY 102 N -0.08 1.57 0.32 -1.23 0.00 -0.30 -4.62 105.19 100.84 3g1y n GLY 102 Ca 0.07 -2.06 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 3g1y n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1y h ALA 103 N 0.00 0.98 -0.62 4.61 0.00 -1.94 -2.77 119.26 119.52 3g1y h ALA 103 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3g1y h ALA 103 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3g1y h ALA 103 CO 0.00 0.66 0.11 -0.44 0.00 0.00 0.00 179.25 179.58 3g1y h ASP 104 N 1.05 0.95 -0.21 0.00 3.45 -1.99 0.94 116.42 120.60 3g1y h ASP 104 Ca 0.22 -0.21 -0.07 0.00 0.43 0.00 0.00 57.03 57.40 3g1y h ASP 104 Cb 0.37 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 3g1y h ASP 104 CO 0.00 0.94 -0.10 0.28 -1.57 0.00 0.00 179.24 178.79 3g1y h SER 105 N 0.94 0.56 -0.11 6.45 0.02 -1.79 -1.44 113.55 118.18 3g1y h SER 105 Ca 0.19 -0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 3g1y h SER 105 Cb 0.39 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.79 3g1y h SER 105 CO 0.01 0.70 -0.55 0.58 -1.14 0.00 0.00 176.83 176.43 3g1y h VAL 106 N 0.53 1.35 -0.40 2.27 2.07 -1.16 -3.22 116.25 117.70 3g1y h VAL 106 Ca 0.10 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 3g1y h VAL 106 Cb 0.50 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 3g1y h VAL 106 CO 0.03 0.56 0.20 -0.09 0.02 0.00 0.00 177.57 178.29 3g1y h ARG 107 N 0.19 0.55 -0.95 1.57 2.43 -0.57 -0.90 114.38 116.70 3g1y h ARG 107 Ca -0.04 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.16 3g1y h ARG 107 Cb 1.19 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 3g1y h ARG 107 CO 0.11 0.42 0.61 0.00 -1.51 0.00 0.00 179.97 179.61 3g1y h ALA 108 N 1.67 1.50 -0.20 2.80 0.00 -1.28 0.18 119.26 123.93 3g1y h ALA 108 Ca 0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3g1y h ALA 108 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3g1y h ALA 108 CO -0.02 0.34 -0.42 0.00 0.00 0.00 0.00 179.25 179.14 3g1y h LEU 110 N 0.32 0.85 -0.28 0.00 3.38 -0.35 -1.38 115.31 117.87 3g1y h LEU 110 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3g1y h LEU 110 Cb 1.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3g1y h LEU 110 CO 0.09 0.63 0.17 0.78 0.09 0.00 0.00 178.44 180.20 3g1y h ASN 111 N 1.00 0.34 -0.36 -0.43 2.35 -0.63 0.16 115.58 118.01 3g1y h ASN 111 Ca 0.27 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 3g1y h ASN 111 Cb -0.09 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3g1y h ASN 111 CO -0.06 0.31 -0.19 0.58 -1.65 0.00 0.00 177.43 176.42 3g1y h VAL 112 N 0.35 1.27 -0.47 2.81 2.07 -1.38 -1.53 116.25 119.37 3g1y h VAL 112 Ca 0.10 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 3g1y h VAL 112 Cb 0.03 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3g1y h VAL 112 CO -0.02 0.45 0.09 0.00 0.02 0.00 0.00 177.57 178.11 3g1y h ALA 113 N 1.04 1.29 -0.17 1.67 0.00 -1.00 -0.94 119.26 121.15 3g1y h ALA 113 Ca 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3g1y h ALA 113 Cb 0.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3g1y h ALA 113 CO 0.06 0.50 -0.01 1.49 0.00 0.00 0.00 179.25 181.28 3g1y h GLU 114 N 0.69 0.30 -0.10 0.00 4.57 -0.58 0.53 114.58 119.99 3g1y h GLU 114 Ca 0.15 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 3g1y h GLU 114 Cb 0.29 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3g1y h GLU 114 CO 0.00 0.54 -0.23 1.05 -1.18 0.00 0.00 179.01 179.19 3g1y h GLU 115 N 0.04 0.17 -0.05 1.92 4.11 -0.98 -3.13 114.58 116.66 3g1y h GLU 115 Ca 0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3g1y h GLU 115 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3g1y h GLU 115 CO 0.01 0.40 0.00 -1.33 0.07 0.00 0.00 179.01 178.16 3g1y n MET 116 N -4.20 1.78 -3.17 1.06 2.81 -0.38 -4.99 117.12 110.02 3g1y n MET 116 Ca -0.01 -1.71 -0.15 0.00 -1.81 0.00 0.00 57.70 54.02 3g1y n MET 116 Cb 0.33 -1.38 0.05 0.00 -0.71 0.00 0.00 33.22 31.51 3g1y n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g1y n GLY 117 N 1.12 0.03 1.32 3.03 0.00 -0.07 -5.04 105.19 105.58 3g1y n GLY 117 Ca 0.12 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3g1y n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g1y n ARG 118 N -3.28 1.53 -4.41 1.61 5.12 -0.02 -5.04 116.66 112.17 3g1y n ARG 118 Ca 0.00 -1.34 -0.24 0.00 -1.93 0.00 0.00 57.85 54.34 3g1y n ARG 118 Cb 0.54 0.34 -0.13 0.00 -1.16 0.00 0.00 32.46 32.05 3g1y n ARG 118 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3g1y s GLU 119 N -2.67 1.21 -0.10 5.56 0.41 -0.76 -4.57 118.70 117.76 3g1y s GLU 119 Ca 0.01 -1.07 0.02 0.00 -0.41 0.00 0.00 54.97 53.51 3g1y s GLU 119 Cb -0.00 -1.41 -0.01 0.00 -1.78 0.00 0.00 34.13 30.92 3g1y s GLU 119 CO 0.00 0.34 -0.17 0.08 -0.49 0.00 0.00 175.26 175.03 3g1y s VAL 120 N -1.03 2.77 -0.16 2.63 1.01 -1.26 -1.47 120.40 122.89 3g1y s VAL 120 Ca 0.07 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3g1y s VAL 120 Cb -0.10 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3g1y s VAL 120 CO 0.03 0.55 -0.06 -0.36 0.00 0.00 0.00 175.10 175.26 3g1y s PHE 121 N 0.12 2.97 -0.22 5.22 0.08 0.05 -4.05 117.98 122.16 3g1y s PHE 121 Ca -0.08 -0.43 -0.16 0.00 0.12 0.00 0.00 56.93 56.38 3g1y s PHE 121 Cb -0.15 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3g1y s PHE 121 CO 0.05 -0.12 0.40 -1.17 -0.10 0.00 0.00 175.22 174.28 3g1y s LEU 122 N 0.48 4.13 -0.44 -0.37 2.96 -0.20 -0.62 118.68 124.61 3g1y s LEU 122 Ca -0.05 0.48 -0.26 0.00 -0.22 0.00 0.00 54.13 54.09 3g1y s LEU 122 Cb -0.15 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.06 3g1y s LEU 122 CO 0.03 -0.11 0.94 -0.22 -1.32 0.00 0.00 176.35 175.68 3g1y s LEU 123 N 1.49 3.98 0.14 -0.68 2.96 0.12 -1.27 118.68 125.42 3g1y s LEU 123 Ca 0.19 0.24 0.17 0.00 -0.22 0.00 0.00 54.13 54.51 3g1y s LEU 123 Cb -0.15 -3.24 -0.06 0.00 0.50 0.00 0.00 46.19 43.25 3g1y s LEU 123 CO 0.08 -1.02 1.03 0.71 -1.32 0.00 0.00 176.35 175.83 3g1y h THR 124 N 6.04 0.52 -2.18 3.68 1.35 -1.81 -3.29 112.91 117.21 3g1y h THR 124 Ca -0.24 -1.90 0.08 0.00 -0.55 0.00 0.00 66.41 63.79 3g1y h THR 124 Cb 1.08 2.06 -0.17 0.00 -1.73 0.00 0.00 68.15 69.39 3g1y h THR 124 CO 1.02 0.29 0.45 -0.70 -0.25 0.00 0.00 175.52 176.34 3g1y s GLU 125 N -3.00 0.84 0.25 4.72 2.12 -1.26 -4.29 118.70 118.08 3g1y s GLU 125 Ca -0.01 -0.17 0.11 0.00 0.36 0.00 0.00 54.97 55.26 3g1y s GLU 125 Cb 0.08 0.39 -0.05 0.00 0.26 0.00 0.00 34.13 34.81 3g1y s GLU 125 CO 0.79 -0.34 -0.20 -1.64 -0.54 0.00 0.00 175.26 173.33 3g1y s MET 126 N -2.59 1.59 0.00 4.30 -1.94 -1.26 -4.14 119.30 115.26 3g1y s MET 126 Ca 0.02 -1.69 0.03 0.00 -1.71 0.00 0.00 55.69 52.34 3g1y s MET 126 Cb -0.01 -1.68 0.05 0.00 2.01 0.00 0.00 34.83 35.20 3g1y s MET 126 CO -0.06 0.32 0.82 -1.13 -0.01 0.00 0.00 175.02 174.97 3g1y n SER 127 N -0.39 1.73 -4.79 3.03 3.41 -1.26 -4.82 113.62 110.53 3g1y n SER 127 Ca -0.07 -1.55 -0.31 0.00 -0.26 0.00 0.00 58.87 56.68 3g1y n SER 127 Cb 0.59 -0.03 0.07 0.00 -0.26 0.00 0.00 64.21 64.58 3g1y n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3g1y s HIS 128 N -0.61 2.77 0.08 7.33 -3.43 -1.26 -4.90 115.29 115.27 3g1y s HIS 128 Ca 0.05 1.51 -0.16 0.00 -0.80 0.00 0.00 55.06 55.66 3g1y s HIS 128 Cb 0.03 -3.01 -0.04 0.00 -1.43 0.00 0.00 32.58 28.14 3g1y s HIS 128 CO 0.04 -1.58 1.14 -2.30 -2.00 0.00 0.00 174.74 170.04 3g1y n PRO 129 N -3.22 -0.22 0.00 -0.38 -0.02 -1.26 -1.07 135.00 128.83 3g1y n PRO 129 Ca 0.09 1.12 0.00 0.00 -2.02 0.00 0.00 63.50 62.69 3g1y n PRO 129 Cb 0.53 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 3g1y n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1y n GLY 130 N -1.13 -0.36 0.30 -1.23 0.00 -1.26 -2.93 105.19 98.58 3g1y n GLY 130 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.20 3g1y n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1y h ALA 131 N 1.85 1.24 0.00 4.61 0.00 -1.42 -2.35 119.26 123.19 3g1y h ALA 131 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g1y h ALA 131 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3g1y h ALA 131 CO 0.00 0.04 0.00 1.05 0.00 0.00 0.00 179.25 180.34 3g1y h GLU 132 N 0.00 0.00 -0.05 0.00 9.09 -1.74 0.06 114.58 121.94 3g1y h GLU 132 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3g1y h GLU 132 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.24 3g1y h GLU 132 CO 0.00 0.00 0.03 0.52 0.05 0.00 0.00 179.01 179.61 3g1y h MET 133 N 0.00 0.07 0.00 1.06 2.86 -1.69 -3.42 114.93 113.81 3g1y h MET 133 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3g1y h MET 133 Cb 0.61 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3g1y h MET 133 CO 0.00 0.12 -0.34 1.19 1.06 0.00 0.00 176.91 178.93 3g1y n PHE 134 N -5.02 0.00 -0.04 -0.22 3.72 -1.24 -4.90 117.46 109.76 3g1y n PHE 134 Ca -0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.22 3g1y n PHE 134 Cb 0.06 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 3g1y n PHE 134 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3g1y h ILE 135 N 0.00 1.23 -0.75 4.37 2.04 -1.73 -3.17 117.51 119.49 3g1y h ILE 135 Ca 0.00 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.23 3g1y h ILE 135 Cb 0.34 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 3g1y h ILE 135 CO 0.00 0.21 0.39 -0.61 0.00 0.00 0.00 178.15 178.14 3g1y h GLN 136 N -0.01 0.63 0.00 2.37 4.15 -1.23 -1.41 115.11 119.61 3g1y h GLN 136 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3g1y h GLN 136 Cb 0.31 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3g1y h GLN 136 CO 0.00 0.42 0.00 0.78 -1.93 0.00 0.00 178.83 178.10 3g1y h GLY 137 N 0.65 0.00 -0.63 2.39 0.00 -1.81 -3.06 103.07 100.60 3g1y h GLY 137 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3g1y h GLY 137 CO -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 175.86 3g1y n ALA 138 N -1.93 3.35 -0.07 3.60 0.00 -0.66 -4.69 120.51 120.10 3g1y n ALA 138 Ca 0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 53.44 52.85 3g1y n ALA 138 Cb 0.28 -0.58 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 3g1y n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1y h ALA 139 N 2.78 -0.01 -0.60 0.00 0.00 -1.19 0.25 119.26 120.50 3g1y h ALA 139 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3g1y h ALA 139 Cb 0.53 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3g1y h ALA 139 CO 0.00 -0.60 0.35 -0.44 0.00 0.00 0.00 179.25 178.56 3g1y h ASP 140 N -0.17 0.72 -0.29 0.00 3.32 -1.84 -0.73 116.42 117.43 3g1y h ASP 140 Ca 0.15 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3g1y h ASP 140 Cb 0.40 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3g1y h ASP 140 CO -0.39 0.58 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.52 3g1y h GLU 141 N 0.80 0.70 -0.52 3.56 4.81 -1.77 -0.75 114.58 121.40 3g1y h GLU 141 Ca 0.21 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3g1y h GLU 141 Cb -0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3g1y h GLU 141 CO -0.04 0.79 -0.08 0.82 -0.73 0.00 0.00 179.01 179.77 3g1y h ILE 142 N 0.64 1.27 -0.51 2.32 2.04 -0.58 0.63 117.51 123.32 3g1y h ILE 142 Ca 0.11 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 3g1y h ILE 142 Cb 0.56 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3g1y h ILE 142 CO 0.03 0.43 0.19 0.00 0.00 0.00 0.00 178.15 178.80 3g1y h ALA 143 N 0.92 0.66 -0.58 1.87 0.00 -0.80 -0.90 119.26 120.43 3g1y h ALA 143 Ca 0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3g1y h ALA 143 Cb 0.64 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3g1y h ALA 143 CO 0.04 0.28 0.12 0.00 0.00 0.00 0.00 179.25 179.69 3g1y h ARG 144 N 0.68 0.91 -0.51 0.00 3.08 -0.93 -1.22 114.38 116.39 3g1y h ARG 144 Ca 0.17 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3g1y h ARG 144 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3g1y h ARG 144 CO -0.01 0.83 0.32 1.98 -1.07 0.00 0.00 179.97 182.02 3g1y h MET 145 N 0.86 0.68 -0.41 0.04 4.05 -0.44 -0.33 114.93 119.40 3g1y h MET 145 Ca 0.18 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3g1y h MET 145 Cb 0.35 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 3g1y h MET 145 CO 0.00 0.48 0.26 0.78 0.23 0.00 0.00 176.91 178.66 3g1y h GLY 146 N 0.69 0.58 0.90 1.39 0.00 -0.61 -1.96 103.07 104.06 3g1y h GLY 146 Ca 0.19 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.31 3g1y h GLY 146 CO -0.04 0.22 0.15 -2.08 0.00 0.00 0.00 176.54 174.79 3g1y h VAL 147 N 0.55 1.01 0.00 4.60 2.07 -0.79 -0.85 116.25 122.84 3g1y h VAL 147 Ca 0.15 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3g1y h VAL 147 Cb -0.05 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3g1y h VAL 147 CO -0.03 0.06 -0.01 0.44 0.02 0.00 0.00 177.57 178.05 3g1y h ASP 148 N 0.31 0.00 -0.06 0.57 3.32 -0.81 -1.17 116.42 118.57 3g1y h ASP 148 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3g1y h ASP 148 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3g1y h ASP 148 CO -0.07 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.64 3g1y n LEU 149 N -3.16 2.28 0.00 1.55 4.77 -0.54 -4.95 117.00 116.95 3g1y n LEU 149 Ca -0.02 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3g1y n LEU 149 Cb 0.14 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3g1y n LEU 149 CO 0.23 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3g1y n GLY 150 N 1.27 0.47 3.75 -0.72 0.00 -0.44 -5.00 105.19 104.52 3g1y n GLY 150 Ca 0.17 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3g1y n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1y s VAL 151 N -2.00 2.33 -0.36 1.61 1.01 -0.44 -4.91 120.40 117.64 3g1y s VAL 151 Ca 0.00 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.35 3g1y s VAL 151 Cb 0.00 -3.18 -0.11 0.00 0.00 0.00 0.00 36.38 33.10 3g1y s VAL 151 CO 0.00 0.04 0.36 0.29 0.00 0.00 0.00 175.10 175.79 3g1y n LYS 152 N 2.25 3.31 -4.99 2.72 5.02 -1.26 -4.66 118.16 120.54 3g1y n LYS 152 Ca 0.08 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 3g1y n LYS 152 Cb 0.39 -0.99 -0.17 0.00 -0.02 0.00 0.00 35.03 34.24 3g1y n LYS 152 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3g1y s ASN 153 N -2.09 2.55 0.05 4.39 0.01 -1.26 -0.07 114.94 118.53 3g1y s ASN 153 Ca 0.02 -0.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.76 3g1y s ASN 153 Cb 0.07 -0.95 -0.03 0.00 0.41 0.00 0.00 41.25 40.75 3g1y s ASN 153 CO 0.38 0.15 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.72 3g1y s TYR 154 N 0.22 0.80 -0.17 2.20 2.02 0.32 -1.03 117.35 121.71 3g1y s TYR 154 Ca -0.11 -0.50 -0.00 0.00 -0.37 0.00 0.00 57.07 56.09 3g1y s TYR 154 Cb -0.15 -0.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 3g1y s TYR 154 CO 0.05 -0.05 -0.15 0.08 -1.57 0.00 0.00 175.55 173.90 3g1y s VAL 155 N -1.41 2.59 0.44 0.71 1.01 -0.39 -1.49 120.40 121.85 3g1y s VAL 155 Ca -0.08 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.20 3g1y s VAL 155 Cb -0.10 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3g1y s VAL 155 CO 0.01 0.51 0.51 -0.83 0.00 0.00 0.00 175.10 175.30 3g1y s GLY 156 N 1.03 2.02 0.00 4.51 0.00 -0.35 -2.53 107.32 112.00 3g1y s GLY 156 Ca -0.01 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.93 3g1y s GLY 156 CO -0.04 -1.60 0.00 -1.55 0.00 0.00 0.00 173.10 169.91 3g1y n PRO 157 N -1.77 0.00 -2.66 2.90 -0.04 -1.26 -4.50 135.00 127.67 3g1y n PRO 157 Ca 0.07 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 3g1y n PRO 157 Cb 0.60 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.06 3g1y n PRO 157 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3g1y n ARG 160 N 0.00 -1.71 -0.27 0.54 1.74 -1.26 -4.55 116.66 111.15 3g1y n ARG 160 Ca 0.00 1.41 0.07 0.00 -0.77 0.00 0.00 57.85 58.56 3g1y n ARG 160 Cb 0.00 -1.63 0.22 0.00 -1.02 0.00 0.00 32.46 30.03 3g1y n ARG 160 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3g1y h PRO 161 N 4.59 0.36 0.00 5.56 0.11 -2.01 -0.46 132.00 140.16 3g1y h PRO 161 Ca -0.08 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3g1y h PRO 161 Cb 0.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 3g1y h PRO 161 CO 0.00 0.24 -0.01 1.05 -0.21 0.00 0.00 178.00 179.07 3g1y h GLU 162 N 0.37 0.00 0.06 1.05 9.09 -2.02 -1.77 114.58 121.37 3g1y h GLU 162 Ca 0.45 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.62 3g1y h GLU 162 Cb 0.77 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.86 3g1y h GLU 162 CO -0.48 0.01 -1.06 0.00 0.05 0.00 0.00 179.01 177.53 3g1y h ARG 163 N 0.00 0.26 -0.30 1.06 2.47 -1.51 -2.64 114.38 113.72 3g1y h ARG 163 Ca -0.00 -0.36 -0.10 0.00 -1.26 0.00 0.00 59.98 58.26 3g1y h ARG 163 Cb 0.22 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 3g1y h ARG 163 CO 0.00 1.11 -0.25 1.25 0.56 0.00 0.00 179.97 182.64 3g1y h LEU 164 N 0.11 0.59 -0.57 3.04 5.85 -1.25 -1.53 115.31 121.56 3g1y h LEU 164 Ca -0.09 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.33 3g1y h LEU 164 Cb 1.75 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 3g1y h LEU 164 CO 0.17 0.83 0.00 -1.28 -0.34 0.00 0.00 178.44 177.82 3g1y h SER 165 N 0.51 0.98 -0.42 1.25 0.87 -1.42 -1.06 113.55 114.27 3g1y h SER 165 Ca 0.07 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 3g1y h SER 165 Cb 0.70 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3g1y h SER 165 CO 0.05 1.05 0.12 -0.09 -0.53 0.00 0.00 176.83 177.43 3g1y h ARG 166 N 0.89 0.66 -0.29 2.24 9.65 -1.17 -1.98 114.38 124.38 3g1y h ARG 166 Ca 0.16 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3g1y h ARG 166 Cb 0.54 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 3g1y h ARG 166 CO 0.03 0.66 0.14 1.25 2.80 0.00 0.00 179.97 184.85 3g1y h LEU 167 N 0.54 0.38 -1.55 3.80 5.85 -1.10 -2.17 115.31 121.06 3g1y h LEU 167 Ca 0.13 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3g1y h LEU 167 Cb 0.28 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3g1y h LEU 167 CO -0.00 0.39 0.34 -0.09 -0.34 0.00 0.00 178.44 178.73 3g1y h ARG 168 N 0.34 0.57 -0.38 1.25 9.65 -1.08 -1.46 114.38 123.28 3g1y h ARG 168 Ca 0.10 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 3g1y h ARG 168 Cb 0.11 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 3g1y h ARG 168 CO -0.01 0.38 0.07 0.93 2.80 0.00 0.00 179.97 184.14 3g1y h GLU 169 N 0.59 0.62 -0.32 0.20 4.39 -0.86 -1.79 114.58 117.41 3g1y h GLU 169 Ca 0.20 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 3g1y h GLU 169 Cb 0.08 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3g1y h GLU 169 CO -0.05 0.67 -0.03 0.82 -1.16 0.00 0.00 179.01 179.26 3g1y h ILE 170 N 0.46 1.27 0.00 3.13 2.04 -0.74 -3.25 117.51 120.42 3g1y h ILE 170 Ca 0.12 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3g1y h ILE 170 Cb 0.34 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3g1y h ILE 170 CO 0.01 0.33 -0.21 2.30 0.00 0.00 0.00 178.15 180.57 3g1y n ILE 171 N -4.51 0.13 0.00 -0.67 -5.35 -0.62 -4.93 119.36 103.41 3g1y n ILE 171 Ca -0.02 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3g1y n ILE 171 Cb 0.29 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 3g1y n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g1y n GLY 172 N 1.45 -0.36 0.23 3.28 0.00 -0.68 -4.21 105.19 104.91 3g1y n GLY 172 Ca 0.06 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.48 3g1y n GLY 172 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g1y h GLN 173 N 0.00 0.00 0.08 1.61 1.08 -1.92 -3.33 115.11 112.64 3g1y h GLN 173 Ca 0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 3g1y h GLN 173 Cb 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.45 3g1y h GLN 173 CO 0.00 0.03 -0.90 -0.44 -0.95 0.00 0.00 178.83 176.57 3g1y h ASP 174 N 0.00 0.65 -3.03 1.46 3.32 -1.96 -3.47 116.42 113.40 3g1y h ASP 174 Ca -0.00 -0.83 -0.57 0.00 0.02 0.00 0.00 57.03 55.64 3g1y h ASP 174 Cb 0.87 -0.21 0.18 0.00 0.22 0.00 0.00 39.33 40.39 3g1y h ASP 174 CO 0.00 1.42 -0.42 -1.20 -1.72 0.00 0.00 179.24 177.32 3g1y n SER 175 N -4.03 -1.18 -4.69 6.45 7.64 -1.25 -4.94 113.62 111.61 3g1y n SER 175 Ca -0.12 0.68 -0.38 0.00 1.01 0.00 0.00 58.87 60.05 3g1y n SER 175 Cb 0.83 -1.18 -0.07 0.00 -1.01 0.00 0.00 64.21 62.78 3g1y n SER 175 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3g1y s PHE 176 N -1.79 3.43 -0.07 1.43 5.36 0.90 -4.98 117.98 122.26 3g1y s PHE 176 Ca 0.67 0.71 0.02 0.00 -0.96 0.00 0.00 56.93 57.38 3g1y s PHE 176 Cb -0.41 -2.53 0.01 0.00 -0.34 0.00 0.00 43.02 39.76 3g1y s PHE 176 CO 0.56 0.07 -0.12 -1.17 -1.46 0.00 0.00 175.22 173.10 3g1y s LEU 177 N 1.03 1.62 0.05 6.12 2.96 -1.26 -0.52 118.68 128.68 3g1y s LEU 177 Ca 0.21 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.91 3g1y s LEU 177 Cb -0.15 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 3g1y s LEU 177 CO 0.08 0.02 -0.23 0.27 -1.32 0.00 0.00 176.35 175.18 3g1y s ILE 178 N 0.72 1.87 0.05 6.68 -4.36 -0.55 0.17 121.20 125.78 3g1y s ILE 178 Ca -0.14 -1.32 -0.09 0.00 -0.26 0.00 0.00 60.65 58.84 3g1y s ILE 178 Cb -0.16 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.93 3g1y s ILE 178 CO 0.03 0.24 0.20 -0.44 0.24 0.00 0.00 174.94 175.21 3g1y s SER 179 N -1.29 0.05 -0.23 4.36 0.01 -0.95 -1.21 113.70 114.43 3g1y s SER 179 Ca 0.09 -0.43 -0.03 0.00 1.31 0.00 0.00 55.95 56.89 3g1y s SER 179 Cb -0.09 0.30 -0.09 0.00 0.21 0.00 0.00 66.02 66.35 3g1y s SER 179 CO 0.02 -0.60 1.86 -0.81 0.41 0.00 0.00 173.24 174.12 3g1y n PRO 180 N 0.50 1.11 0.00 12.44 -0.04 -1.26 0.35 135.00 148.10 3g1y n PRO 180 Ca -0.18 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 3g1y n PRO 180 Cb 0.60 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 3g1y n PRO 180 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g1y n GLY 190 N 3.12 0.33 0.26 0.55 0.00 -1.26 -4.57 105.19 103.62 3g1y n GLY 190 Ca 0.24 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 3g1y n GLY 190 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g1y h GLU 191 N 0.00 0.88 -0.56 1.61 4.39 -2.03 -3.13 114.58 115.74 3g1y h GLU 191 Ca 0.00 -0.14 0.08 0.00 0.34 0.00 0.00 59.36 59.64 3g1y h GLU 191 Cb 0.00 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.43 3g1y h GLU 191 CO 0.00 0.72 0.23 1.15 -1.16 0.00 0.00 179.01 179.95 3g1y h THR 192 N 0.84 0.83 0.00 1.13 2.02 -1.96 -1.21 112.91 114.55 3g1y h THR 192 Ca 0.21 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3g1y h THR 192 Cb 0.14 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3g1y h THR 192 CO -0.02 0.08 0.00 0.18 0.37 0.00 0.00 175.52 176.12 3g1y n LEU 193 N -4.97 0.00 0.12 2.58 4.77 -1.18 -0.72 117.00 117.60 3g1y n LEU 193 Ca 0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.04 3g1y n LEU 193 Cb 0.22 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3g1y n LEU 193 CO 0.24 0.00 0.40 0.03 -1.33 0.00 0.00 177.39 176.73 3g1y h ARG 194 N 0.00 0.00 0.00 3.23 2.47 -1.29 -3.38 114.38 115.40 3g1y h ARG 194 Ca 0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 3g1y h ARG 194 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3g1y h ARG 194 CO 0.00 0.68 -1.29 1.19 0.56 0.00 0.00 179.97 181.11 3g1y n PHE 195 N -3.43 0.00 -3.18 3.04 3.72 -0.72 -5.04 117.46 111.85 3g1y n PHE 195 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 3g1y n PHE 195 Cb 0.74 -0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 39.03 3g1y n PHE 195 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3g1y s ALA 196 N -2.10 3.36 -0.18 4.37 0.00 0.10 -4.87 121.76 122.45 3g1y s ALA 196 Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 51.96 52.06 3g1y s ALA 196 Cb 0.02 -2.72 0.05 0.00 0.00 0.00 0.00 23.12 20.47 3g1y s ALA 196 CO 0.11 0.36 1.34 -0.44 0.00 0.00 0.00 175.76 177.13 3g1y h ASP 197 N 2.38 0.00 -4.84 0.00 3.32 -0.59 -3.39 116.42 113.30 3g1y h ASP 197 Ca -0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 3g1y h ASP 197 Cb 1.17 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.52 3g1y h ASP 197 CO 0.66 0.45 -0.10 0.00 -1.72 0.00 0.00 179.24 178.52 3g1y s ALA 198 N -2.99 -1.17 0.02 3.45 0.00 -1.18 -4.76 121.76 115.13 3g1y s ALA 198 Ca 0.03 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3g1y s ALA 198 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3g1y s ALA 198 CO 0.75 -0.29 0.08 0.96 0.00 0.00 0.00 175.76 177.26 3g1y s ILE 199 N -1.06 4.67 -0.22 0.00 -4.36 -0.27 -2.25 121.20 117.72 3g1y s ILE 199 Ca -0.11 -0.49 -0.07 0.00 -0.26 0.00 0.00 60.65 59.72 3g1y s ILE 199 Cb -0.03 -3.16 -0.03 0.00 1.25 0.00 0.00 42.46 40.48 3g1y s ILE 199 CO 0.06 0.30 0.06 -0.63 0.24 0.00 0.00 174.94 174.97 3g1y s ILE 200 N -1.24 4.50 -0.05 8.37 1.01 0.16 -0.38 121.20 133.57 3g1y s ILE 200 Ca 0.24 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.81 3g1y s ILE 200 Cb -0.12 -3.06 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 3g1y s ILE 200 CO 0.16 0.39 -0.17 -0.69 0.00 0.00 0.00 174.94 174.63 3g1y s VAL 201 N 1.05 1.40 0.00 2.92 1.01 0.13 -4.36 120.40 122.55 3g1y s VAL 201 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3g1y s VAL 201 Cb -0.14 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3g1y s VAL 201 CO 0.03 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3g1y n GLY 202 N 3.25 0.55 0.30 4.51 0.00 -1.26 -0.66 105.19 111.88 3g1y n GLY 202 Ca -0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.93 3g1y n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g1y h ARG 203 N 0.00 0.32 0.00 1.61 3.08 -1.95 0.11 114.38 117.55 3g1y h ARG 203 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3g1y h ARG 203 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3g1y h ARG 203 CO 0.00 0.21 0.14 0.43 -1.07 0.00 0.00 179.97 179.68 3g1y n SER 204 N -5.11 0.18 0.02 7.04 7.64 -1.26 -1.37 113.62 120.76 3g1y n SER 204 Ca 0.18 0.49 -0.02 0.00 1.01 0.00 0.00 58.87 60.54 3g1y n SER 204 Cb 0.57 -0.49 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 3g1y n SER 204 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3g1y n ILE 205 N -1.70 1.21 1.68 0.44 5.41 0.31 -4.75 119.36 121.96 3g1y n ILE 205 Ca -0.00 0.33 0.10 0.00 1.00 0.00 0.00 62.75 64.18 3g1y n ILE 205 Cb 0.15 -1.72 0.62 0.00 -0.71 0.00 0.00 39.64 37.97 3g1y n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g1y n TYR 206 N -3.64 0.00 -1.59 1.39 0.18 -0.72 -4.30 117.16 108.48 3g1y n TYR 206 Ca -0.03 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.81 3g1y n TYR 206 Cb 0.11 0.00 0.19 0.00 -0.38 0.00 0.00 39.34 39.26 3g1y n TYR 206 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 3g1y n LEU 207 N -0.89 2.53 0.00 -3.48 -0.00 -0.47 -5.01 117.00 109.68 3g1y n LEU 207 Ca 0.16 -3.65 0.00 0.00 -0.00 0.00 0.00 56.01 52.52 3g1y n LEU 207 Cb 0.07 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 3g1y n LEU 207 CO 0.12 1.25 0.00 -2.65 -0.00 0.00 0.00 177.39 176.10 3g1y n PRO 211 N -1.05 0.00 -0.31 1.96 -0.02 -1.26 -5.05 135.00 129.26 3g1y n PRO 211 Ca 0.18 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.62 3g1y n PRO 211 Cb 0.71 -0.12 0.08 0.00 -0.02 0.00 0.00 33.50 34.15 3g1y n PRO 211 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g1y h ALA 212 N 0.00 1.07 -0.50 3.55 0.00 -1.90 -1.40 119.26 120.09 3g1y h ALA 212 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3g1y h ALA 212 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3g1y h ALA 212 CO 0.00 0.47 0.05 0.00 0.00 0.00 0.00 179.25 179.77 3g1y h ALA 213 N 1.31 0.67 -0.16 0.00 0.00 -1.98 -1.67 119.26 117.43 3g1y h ALA 213 Ca 0.31 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3g1y h ALA 213 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3g1y h ALA 213 CO -0.07 0.43 0.10 0.00 0.00 0.00 0.00 179.25 179.71 3g1y h ALA 214 N 0.95 0.20 -0.20 0.00 0.00 -1.79 -1.30 119.26 117.13 3g1y h ALA 214 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3g1y h ALA 214 Cb 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3g1y h ALA 214 CO 0.02 -0.29 0.12 0.00 0.00 0.00 0.00 179.25 179.09 3g1y h ALA 215 N 1.02 0.25 -1.00 0.00 0.00 -1.19 -2.20 119.26 116.14 3g1y h ALA 215 Ca 0.06 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3g1y h ALA 215 Cb 0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3g1y h ALA 215 CO -0.01 -0.29 0.64 0.00 0.00 0.00 0.00 179.25 179.59 3g1y h ALA 216 N 1.09 1.44 -0.25 0.00 0.00 -1.11 -1.99 119.26 118.43 3g1y h ALA 216 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3g1y h ALA 216 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3g1y h ALA 216 CO -0.04 0.39 0.08 0.78 0.00 0.00 0.00 179.25 180.47 3g1y h GLY 217 N 1.13 0.42 0.97 0.00 0.00 -0.79 -0.65 103.07 104.16 3g1y h GLY 217 Ca 0.45 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.54 3g1y h GLY 217 CO -0.19 0.23 0.48 -2.22 0.00 0.00 0.00 176.54 174.84 3g1y h ILE 218 N 0.25 1.17 -0.02 2.60 2.04 -0.96 0.18 117.51 122.76 3g1y h ILE 218 Ca 0.08 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3g1y h ILE 218 Cb 0.23 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3g1y h ILE 218 CO -0.00 0.18 0.00 0.40 0.00 0.00 0.00 178.15 178.72 3g1y h ILE 219 N 0.97 1.23 -0.16 -0.67 2.04 -1.26 -2.42 117.51 117.23 3g1y h ILE 219 Ca 0.27 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3g1y h ILE 219 Cb -0.08 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3g1y h ILE 219 CO -0.07 0.18 0.11 -0.08 0.00 0.00 0.00 178.15 178.29 3g1y h GLU 220 N -0.25 0.11 0.94 2.37 4.22 -0.86 -2.70 114.58 118.41 3g1y h GLU 220 Ca 0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 3g1y h GLU 220 Cb 0.29 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.52 3g1y h GLU 220 CO 0.00 0.07 -0.45 1.03 -2.18 0.00 0.00 179.01 177.48 3g1y h SER 221 N 0.11 -1.07 0.00 1.04 0.87 -0.21 -3.51 113.55 110.78 3g1y h SER 221 Ca 0.07 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3g1y h SER 221 Cb 0.14 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3g1y h SER 221 CO -0.01 -0.74 0.00 2.30 -0.53 0.00 0.00 176.83 177.85