#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 1.09 -0.00 1.55 2.07 -1.99 -2.42 116.25 116.55 3g1y h VAL 6 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3g1y h VAL 6 Cb 0.00 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3g1y h VAL 6 CO 0.00 0.12 -0.02 -0.90 0.02 0.00 0.00 177.57 176.79 3g1y n ASP 7 N -4.42 0.32 -4.64 0.57 5.75 -1.26 -4.85 116.55 108.02 3g1y n ASP 7 Ca -0.01 -0.91 -0.25 0.00 -0.01 0.00 0.00 54.79 53.61 3g1y n ASP 7 Cb 0.16 -0.05 -0.08 0.00 -1.03 0.00 0.00 41.12 40.13 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 -2.14 3.52 0.30 2.12 -7.23 -0.91 -5.09 120.40 110.96 3g1y s VAL 8 Ca 0.41 -1.70 -0.29 0.00 -1.81 0.00 0.00 61.98 58.60 3g1y s VAL 8 Cb 0.21 -2.83 -0.13 0.00 0.56 0.00 0.00 36.38 34.19 3g1y s VAL 8 CO 0.39 -0.25 1.17 0.80 -0.31 0.00 0.00 175.10 176.90 3g1y n MET 9 N -0.50 1.71 -3.66 4.82 0.00 -1.26 -4.90 117.12 113.32 3g1y n MET 9 Ca -0.08 0.60 -0.39 0.00 -0.00 0.00 0.00 57.70 57.83 3g1y n MET 9 Cb 0.57 -2.09 -0.12 0.00 0.00 0.00 0.00 33.22 31.59 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 5.51 -0.29 6.12 3.68 -1.26 -5.02 116.67 125.08 3g1y s ASP 10 Ca 0.59 -0.71 -0.12 0.00 2.13 0.00 0.00 52.55 54.44 3g1y s ASP 10 Cb -0.66 -1.98 -0.04 0.00 -1.45 0.00 0.00 42.92 38.79 3g1y s ASP 10 CO 0.59 -0.25 0.24 -0.69 0.13 0.00 0.00 175.17 175.19 3g1y s VAL 11 N 1.57 5.27 0.06 1.11 1.01 -1.26 -5.01 120.40 123.14 3g1y s VAL 11 Ca 0.03 0.18 -0.34 0.00 0.00 0.00 0.00 61.98 61.86 3g1y s VAL 11 Cb -0.18 -3.60 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 3g1y s VAL 11 CO 0.05 0.18 1.71 0.80 0.00 0.00 0.00 175.10 177.84 3g1y n MET 12 N 5.14 2.17 -1.42 2.72 1.56 -1.26 -1.36 117.12 124.67 3g1y n MET 12 Ca -0.13 0.79 -0.15 0.00 -0.27 0.00 0.00 57.70 57.95 3g1y n MET 12 Cb 0.51 -2.59 -0.06 0.00 2.15 0.00 0.00 33.22 33.23 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 4.82 -5.38 -2.07 6.12 5.03 -1.26 -2.66 115.26 119.86 3g1y n ASN 13 Ca 0.19 0.37 -0.14 0.00 0.87 0.00 0.00 54.58 55.87 3g1y n ASN 13 Cb 0.29 -4.33 -0.02 0.00 -1.02 0.00 0.00 39.78 34.70 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 -1.48 -1.84 -4.00 3.52 1.74 -0.46 -4.94 116.66 109.20 3g1y n ARG 14 Ca -0.15 0.72 -0.30 0.00 -0.77 0.00 0.00 57.85 57.35 3g1y n ARG 14 Cb 0.61 -5.20 -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 -5.03 1.81 -0.18 0.55 2.96 -1.09 -1.08 118.68 116.62 3g1y s LEU 15 Ca 0.00 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 3g1y s LEU 15 Cb 0.00 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 3g1y s LEU 15 CO 0.00 -0.09 0.03 -0.63 -1.32 0.00 0.00 176.35 174.35 3g1y s ILE 16 N 1.48 4.49 -0.16 6.68 1.01 0.46 -4.63 121.20 130.53 3g1y s ILE 16 Ca 0.03 -0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 3g1y s ILE 16 Cb -0.14 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 3g1y s ILE 16 CO -0.10 0.46 0.73 -0.22 0.00 0.00 0.00 174.94 175.81 3g1y s LEU 17 N 0.48 4.19 -0.72 2.97 2.96 -0.83 -0.69 118.68 127.03 3g1y s LEU 17 Ca 0.01 1.05 -0.19 0.00 -0.22 0.00 0.00 54.13 54.78 3g1y s LEU 17 Cb -0.13 -3.07 0.11 0.00 0.50 0.00 0.00 46.19 43.60 3g1y s LEU 17 CO 0.01 -0.29 0.89 0.00 -1.32 0.00 0.00 176.35 175.64 3g1y s ALA 18 N 1.78 3.39 -1.01 5.97 0.00 0.03 -0.64 121.76 131.27 3g1y s ALA 18 Ca 0.34 -2.39 -0.19 0.00 0.00 0.00 0.00 51.96 49.73 3g1y s ALA 18 Cb -0.16 -3.75 0.12 0.00 0.00 0.00 0.00 23.12 19.32 3g1y s ALA 18 CO 0.13 -2.62 1.28 1.41 0.00 0.00 0.00 175.76 175.95 3g1y s MET 19 N 2.79 3.70 0.00 0.00 1.75 -0.36 -4.49 119.30 122.68 3g1y s MET 19 Ca 0.21 -1.77 0.22 0.00 -1.25 0.00 0.00 55.69 53.09 3g1y s MET 19 Cb -0.16 -5.07 0.54 0.00 2.84 0.00 0.00 34.83 32.98 3g1y s MET 19 CO 0.01 -1.89 1.45 -0.25 -0.65 0.00 0.00 175.02 173.69 3g1y n ASP 20 N 7.00 2.76 -4.76 1.11 8.00 -1.26 -4.34 116.55 125.05 3g1y n ASP 20 Ca 0.29 -1.90 -0.36 0.00 0.71 0.00 0.00 54.79 53.53 3g1y n ASP 20 Cb 0.48 -0.20 0.01 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 -1.48 3.84 0.00 0.64 1.43 -1.26 -4.77 118.68 117.07 3g1y s LEU 21 Ca 0.36 2.37 0.21 0.00 -1.03 0.00 0.00 54.13 56.03 3g1y s LEU 21 Cb 0.20 -4.42 -0.21 0.00 0.03 0.00 0.00 46.19 41.80 3g1y s LEU 21 CO 0.29 -1.26 0.90 0.23 0.23 0.00 0.00 176.35 176.74 3g1y n MET 22 N -1.04 0.23 -3.51 1.70 2.81 -1.26 -4.22 117.12 111.83 3g1y n MET 22 Ca 0.10 -0.09 -0.38 0.00 -1.81 0.00 0.00 57.70 55.53 3g1y n MET 22 Cb 0.49 -1.48 -0.09 0.00 -0.71 0.00 0.00 33.22 31.43 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 -2.92 6.24 0.16 7.83 3.84 -1.26 -4.69 114.94 124.15 3g1y s ASN 23 Ca 0.09 0.27 -0.16 0.00 0.21 0.00 0.00 52.86 53.26 3g1y s ASN 23 Cb 0.16 -2.17 0.09 0.00 -0.55 0.00 0.00 41.25 38.78 3g1y s ASN 23 CO 0.83 -0.04 1.69 -0.09 -2.79 0.00 0.00 177.10 176.70 3g1y h ARG 24 N 7.68 0.07 -0.32 0.43 2.43 -1.94 0.96 114.38 123.69 3g1y h ARG 24 Ca -0.36 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.85 3g1y h ARG 24 Cb 1.17 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 3g1y h ARG 24 CO 0.66 0.05 0.10 -0.44 -1.51 0.00 0.00 179.97 178.83 3g1y h ASP 25 N 0.08 0.09 -0.54 -3.80 3.32 -1.99 0.08 116.42 113.65 3g1y h ASP 25 Ca 0.18 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 3g1y h ASP 25 Cb 0.26 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3g1y h ASP 25 CO -0.33 0.08 -0.05 0.44 -1.72 0.00 0.00 179.24 177.67 3g1y h ASP 26 N 0.23 0.97 -0.24 6.45 3.32 -1.90 -1.86 116.42 123.39 3g1y h ASP 26 Ca 0.15 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3g1y h ASP 26 Cb 0.13 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3g1y h ASP 26 CO -0.17 1.07 0.12 0.00 -1.72 0.00 0.00 179.24 178.55 3g1y h ALA 27 N 0.94 0.31 -0.38 3.45 0.00 -0.44 -2.53 119.26 120.61 3g1y h ALA 27 Ca 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3g1y h ALA 27 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3g1y h ALA 27 CO 0.04 -0.14 0.08 -0.07 0.00 0.00 0.00 179.25 179.16 3g1y h LEU 28 N 0.27 0.59 -0.01 0.00 3.38 -0.95 -2.66 115.31 115.93 3g1y h LEU 28 Ca 0.08 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3g1y h LEU 28 Cb 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3g1y h LEU 28 CO -0.01 0.68 -0.16 -0.09 0.09 0.00 0.00 178.44 178.95 3g1y h ARG 29 N 0.47 -0.25 -0.17 1.13 2.43 -1.26 -1.43 114.38 115.30 3g1y h ARG 29 Ca 0.12 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3g1y h ARG 29 Cb 0.33 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3g1y h ARG 29 CO 0.00 -0.17 0.09 0.28 -1.51 0.00 0.00 179.97 178.67 3g1y h VAL 30 N -0.26 1.10 -0.64 0.20 2.07 -1.47 -2.29 116.25 114.96 3g1y h VAL 30 Ca 0.05 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3g1y h VAL 30 Cb 0.33 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3g1y h VAL 30 CO -0.16 0.10 0.42 0.74 0.02 0.00 0.00 177.57 178.69 3g1y h THR 31 N 0.17 1.17 -0.75 2.57 2.02 -1.37 -2.43 112.91 114.29 3g1y h THR 31 Ca 0.06 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3g1y h THR 31 Cb 0.07 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 3g1y h THR 31 CO -0.01 0.16 0.30 1.23 0.37 0.00 0.00 175.52 177.57 3g1y h GLY 32 N 0.87 1.20 2.00 2.16 0.00 -1.19 -1.96 103.07 106.15 3g1y h GLY 32 Ca 0.23 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3g1y h GLY 32 CO -0.05 0.61 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 -0.93 -3.00 114.58 121.57 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 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 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 -2.67 0.31 0.27 3.13 0.24 -0.94 -4.30 118.33 114.37 3g1y n VAL 34 Ca -0.00 -0.66 0.18 0.00 -2.04 0.00 0.00 64.34 61.82 3g1y n VAL 34 Cb 0.19 0.91 0.93 0.00 -1.47 0.00 0.00 33.84 34.40 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 0.94 0.00 0.00 7.34 9.65 -1.22 0.95 114.38 132.04 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 0.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3g1y h ARG 35 CO 0.00 0.00 0.00 -1.91 2.80 0.00 0.00 179.97 180.86 3g1y n GLU 36 N -3.56 0.20 -0.02 0.20 2.13 -1.26 -3.50 120.64 114.83 3g1y n GLU 36 Ca -0.01 0.34 -0.00 0.00 0.66 0.00 0.00 57.16 58.15 3g1y n GLU 36 Cb 0.22 -1.82 -0.05 0.00 0.27 0.00 0.00 31.44 30.06 3g1y n GLU 36 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3g1y n TYR 37 N -2.19 0.00 -4.54 4.31 4.01 0.19 -5.03 117.16 113.91 3g1y n TYR 37 Ca 0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.56 3g1y n TYR 37 Cb 0.29 -0.23 -0.15 0.00 -0.31 0.00 0.00 39.34 38.94 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 -2.30 0.96 0.00 -0.72 1.01 -0.41 -4.50 121.20 115.24 3g1y s ILE 38 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3g1y s ILE 38 Cb 0.03 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.69 3g1y s ILE 38 CO 0.27 0.27 0.77 -0.90 0.00 0.00 0.00 174.94 175.35 3g1y n ASP 39 N 2.85 1.50 -3.91 3.58 5.75 -1.26 -4.35 116.55 120.71 3g1y n ASP 39 Ca -0.14 -1.55 -0.26 0.00 -0.01 0.00 0.00 54.79 52.82 3g1y n ASP 39 Cb 0.56 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.48 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 -0.55 0.97 -0.06 2.12 2.01 -1.26 0.32 115.64 119.17 3g1y s THR 40 Ca 0.00 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.77 3g1y s THR 40 Cb 0.00 -0.98 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 3g1y s THR 40 CO 0.00 0.35 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.40 3g1y s VAL 41 N 1.55 1.61 -0.28 3.82 1.01 -0.13 -1.97 120.40 126.01 3g1y s VAL 41 Ca 0.02 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3g1y s VAL 41 Cb -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3g1y s VAL 41 CO -0.06 0.46 0.16 -0.75 0.00 0.00 0.00 175.10 174.91 3g1y s LYS 42 N 0.22 3.76 0.01 2.72 2.20 0.18 -0.88 119.74 127.95 3g1y s LYS 42 Ca -0.10 -0.44 0.05 0.00 -0.36 0.00 0.00 55.97 55.13 3g1y s LYS 42 Cb -0.14 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 3g1y s LYS 42 CO 0.04 -0.23 -0.13 0.42 -0.36 0.00 0.00 175.35 175.09 3g1y s ILE 43 N 1.70 3.17 0.22 5.43 1.01 -0.34 -1.23 121.20 131.17 3g1y s ILE 43 Ca 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3g1y s ILE 43 Cb -0.16 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.97 3g1y s ILE 43 CO 0.08 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3g1y n GLY 44 N 1.66 3.91 0.30 6.18 0.00 -1.26 0.44 105.19 116.43 3g1y n GLY 44 Ca -0.16 -2.28 0.03 0.00 0.00 0.00 0.00 46.02 43.61 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 1.11 0.53 -0.43 1.61 0.05 -1.95 -2.79 116.97 115.10 3g1y h TYR 45 Ca -0.18 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.68 3g1y h TYR 45 Cb 0.55 -0.17 -0.08 0.00 1.01 0.00 0.00 36.73 38.04 3g1y h TYR 45 CO 0.00 0.38 -0.05 -1.35 -1.05 0.00 0.00 178.16 176.09 3g1y h PRO 46 N 0.55 0.05 -0.05 4.88 0.11 -1.94 0.25 132.00 135.86 3g1y h PRO 46 Ca 0.14 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 3g1y h PRO 46 Cb 0.04 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3g1y h PRO 46 CO -0.02 0.03 -0.11 1.25 -0.21 0.00 0.00 178.00 178.94 3g1y h LEU 47 N 0.05 0.18 -0.77 2.35 5.85 -1.71 -2.85 115.31 118.42 3g1y h LEU 47 Ca 0.21 -0.57 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3g1y h LEU 47 Cb 0.32 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3g1y h LEU 47 CO -0.41 0.72 0.36 0.58 -0.34 0.00 0.00 178.44 179.36 3g1y h VAL 48 N -0.35 1.25 -0.03 1.05 2.07 -1.26 0.79 116.25 119.76 3g1y h VAL 48 Ca 0.00 -0.70 -0.14 0.00 0.82 0.00 0.00 66.70 66.68 3g1y h VAL 48 Cb 0.69 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3g1y h VAL 48 CO 0.02 0.29 -0.62 -0.07 0.02 0.00 0.00 177.57 177.22 3g1y h LEU 49 N 1.08 0.14 0.13 2.57 3.38 -0.60 0.44 115.31 122.45 3g1y h LEU 49 Ca 0.26 -0.08 -0.28 0.00 0.09 0.00 0.00 57.88 57.87 3g1y h LEU 49 Cb 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3g1y h LEU 49 CO -0.03 0.73 -1.26 0.28 0.09 0.00 0.00 178.44 178.25 3g1y h SER 50 N 0.09 0.42 0.00 -0.43 0.02 -1.24 -3.38 113.55 109.03 3g1y h SER 50 Ca -0.01 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3g1y h SER 50 Cb 1.11 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3g1y h SER 50 CO 0.09 1.36 -0.67 -0.62 -1.14 0.00 0.00 176.83 175.84 3g1y n GLU 51 N -3.53 3.15 0.00 3.45 -0.58 0.25 -5.06 120.64 118.32 3g1y n GLU 51 Ca -0.09 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 3g1y n GLU 51 Cb 1.02 -0.96 0.00 0.00 -0.57 0.00 0.00 31.44 30.93 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 1.45 2.30 0.31 0.62 0.00 0.15 -4.70 105.19 105.32 3g1y n GLY 52 Ca 0.01 -1.76 0.19 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.30 114.93 115.16 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 0.02 0.00 -0.44 1.06 0.00 0.00 176.91 177.55 3g1y h ASP 54 N 0.00 0.00 0.33 1.22 3.32 -1.92 -1.65 116.42 117.72 3g1y h ASP 54 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3g1y h ASP 54 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3g1y h ASP 54 CO 0.00 0.00 -0.10 -0.29 -1.72 0.00 0.00 179.24 177.13 3g1y h ILE 55 N 0.00 0.53 0.01 0.35 2.10 -1.69 -2.68 117.51 116.13 3g1y h ILE 55 Ca 0.00 -0.45 -0.00 0.00 1.08 0.00 0.00 64.86 65.49 3g1y h ILE 55 Cb 0.01 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.04 3g1y h ILE 55 CO 0.00 0.10 -0.01 0.40 -1.08 0.00 0.00 178.15 177.56 3g1y h ILE 56 N 0.00 1.09 -0.42 2.19 2.04 -1.53 -1.43 117.51 119.45 3g1y h ILE 56 Ca -0.00 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 3g1y h ILE 56 Cb 0.29 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3g1y h ILE 56 CO 0.01 0.08 0.06 0.00 0.00 0.00 0.00 178.15 178.30 3g1y h ALA 57 N 0.84 1.33 -0.59 1.87 0.00 -1.55 -2.29 119.26 118.88 3g1y h ALA 57 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3g1y h ALA 57 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3g1y h ALA 57 CO 0.00 0.47 0.37 1.49 0.00 0.00 0.00 179.25 181.58 3g1y h GLU 58 N 0.61 0.79 -0.25 0.00 4.81 -1.16 0.77 114.58 120.16 3g1y h GLU 58 Ca 0.14 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3g1y h GLU 58 Cb 0.29 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3g1y h GLU 58 CO 0.00 0.56 0.13 0.74 -0.73 0.00 0.00 179.01 179.71 3g1y h PHE 59 N 0.80 0.34 -0.78 0.92 -1.00 -0.87 0.08 116.94 116.43 3g1y h PHE 59 Ca 0.21 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.95 3g1y h PHE 59 Cb -0.04 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.37 3g1y h PHE 59 CO -0.03 0.29 0.33 0.00 -1.61 0.00 0.00 178.31 177.30 3g1y h ARG 60 N 0.29 1.14 -0.01 1.51 3.08 -0.98 -1.39 114.38 118.02 3g1y h ARG 60 Ca 0.09 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 3g1y h ARG 60 Cb 0.07 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 29.93 3g1y h ARG 60 CO -0.01 0.91 -0.52 -0.22 -1.07 0.00 0.00 179.97 179.06 3g1y h LYS 61 N 1.11 0.37 -0.05 0.04 3.64 -0.74 0.45 116.57 121.39 3g1y h LYS 61 Ca 0.26 -0.38 -0.11 0.00 -1.27 0.00 0.00 60.65 59.14 3g1y h LYS 61 Cb 0.18 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3g1y h LYS 61 CO -0.03 1.06 -0.49 0.00 -2.27 0.00 0.00 179.45 177.72 3g1y h ARG 62 N -0.16 0.13 0.00 1.90 3.08 -0.99 -3.36 114.38 114.98 3g1y h ARG 62 Ca -0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3g1y h ARG 62 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3g1y h ARG 62 CO 0.10 0.59 -0.06 1.19 -1.07 0.00 0.00 179.97 180.73 3g1y n PHE 63 N -3.96 0.00 -2.52 3.04 3.72 -0.52 -5.02 117.46 112.20 3g1y n PHE 63 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 3g1y n PHE 63 Cb 0.52 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.07 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 1.00 -0.30 3.96 1.37 0.00 0.16 -4.99 105.19 106.39 3g1y n GLY 64 Ca 0.00 -0.14 -0.23 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 -3.66 4.63 -0.14 0.00 3.52 0.15 -4.43 118.95 119.02 3g1y s ARG 66 Ca 0.35 1.30 0.02 0.00 -0.13 0.00 0.00 55.73 57.27 3g1y s ARG 66 Cb -0.10 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 3g1y s ARG 66 CO 0.29 0.41 -0.20 0.42 -0.81 0.00 0.00 175.30 175.41 3g1y s ILE 67 N -1.40 2.24 -0.24 4.11 -1.09 -1.26 -0.96 121.20 122.60 3g1y s ILE 67 Ca 0.44 -0.93 -0.06 0.00 -2.23 0.00 0.00 60.65 57.88 3g1y s ILE 67 Cb -0.21 -1.90 -0.01 0.00 -1.58 0.00 0.00 42.46 38.75 3g1y s ILE 67 CO 0.26 0.54 0.02 -0.63 -1.23 0.00 0.00 174.94 173.90 3g1y s ILE 68 N 0.71 3.80 -0.50 2.92 1.01 -0.06 -1.22 121.20 127.86 3g1y s ILE 68 Ca -0.09 -0.42 -0.26 0.00 0.00 0.00 0.00 60.65 59.89 3g1y s ILE 68 Cb -0.16 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.55 3g1y s ILE 68 CO 0.01 0.33 0.97 0.00 0.00 0.00 0.00 174.94 176.25 3g1y s ALA 69 N 1.53 3.18 -1.50 9.38 0.00 0.32 -1.19 121.76 133.48 3g1y s ALA 69 Ca 0.05 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 3g1y s ALA 69 Cb -0.15 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.24 3g1y s ALA 69 CO 0.00 -2.24 2.62 -1.71 0.00 0.00 0.00 175.76 174.44 3g1y n ASN 70 N 7.44 7.57 0.05 0.00 5.15 0.17 -1.21 115.26 134.43 3g1y n ASN 70 Ca 0.05 -2.80 0.12 0.00 -0.60 0.00 0.00 54.58 51.35 3g1y n ASN 70 Cb 0.48 -1.52 0.09 0.00 -0.53 0.00 0.00 39.78 38.30 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 3.51 0.43 -3.89 1.20 3.72 -1.26 -4.32 117.46 116.86 3g1y n PHE 71 Ca 0.68 0.13 -0.32 0.00 -0.05 0.00 0.00 57.45 57.88 3g1y n PHE 71 Cb 0.27 -0.56 0.01 0.00 -0.94 0.00 0.00 39.48 38.25 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 -2.07 -1.73 -1.66 -1.08 5.02 -0.36 -4.79 118.16 111.51 3g1y n LYS 72 Ca 0.02 0.34 -0.48 0.00 -2.02 0.00 0.00 58.31 56.17 3g1y n LYS 72 Cb 0.44 -3.92 -0.05 0.00 -0.02 0.00 0.00 35.03 31.48 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 -4.45 0.11 -2.70 -0.18 0.31 -0.95 -4.35 118.33 106.12 3g1y n VAL 73 Ca -0.19 -0.02 -0.06 0.00 -0.01 0.00 0.00 64.34 64.06 3g1y n VAL 73 Cb 0.63 -1.41 0.06 0.00 -0.91 0.00 0.00 33.84 32.21 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 3.86 2.70 -3.67 3.52 0.00 -1.26 -0.64 120.51 125.01 3g1y n ALA 74 Ca 0.19 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.19 3g1y n ALA 74 Cb 0.26 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.42 1.41 -4.81 0.00 2.03 -1.26 -4.95 116.55 108.55 3g1y n ASP 75 Ca 0.03 -0.97 -0.31 0.00 0.52 0.00 0.00 54.79 54.07 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 -0.36 3.86 0.19 5.18 -4.36 -1.26 -4.72 121.20 119.73 3g1y s ILE 76 Ca 0.00 0.60 -0.21 0.00 -0.26 0.00 0.00 60.65 60.79 3g1y s ILE 76 Cb 0.00 -3.32 0.13 0.00 1.25 0.00 0.00 42.46 40.51 3g1y s ILE 76 CO 0.00 -0.79 1.59 -0.65 0.24 0.00 0.00 174.94 175.33 3g1y h PRO 77 N -0.80 -0.15 -0.76 0.37 0.11 -1.88 0.69 132.00 129.59 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 0.57 -0.10 0.47 1.49 -0.21 0.00 0.00 178.00 180.22 3g1y h GLU 78 N -0.16 0.88 -0.20 1.05 4.81 -1.95 -0.32 114.58 118.69 3g1y h GLU 78 Ca 0.23 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 3g1y h GLU 78 Cb 0.55 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3g1y h GLU 78 CO -0.68 0.58 -0.60 1.15 -0.73 0.00 0.00 179.01 178.74 3g1y h THR 79 N 0.91 1.31 -0.88 0.32 2.02 -1.80 -2.59 112.91 112.20 3g1y h THR 79 Ca 0.31 -1.84 0.02 0.00 0.77 0.00 0.00 66.41 65.67 3g1y h THR 79 Cb 0.06 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 3g1y h THR 79 CO -0.13 0.58 0.58 0.78 0.37 0.00 0.00 175.52 177.70 3g1y h ASN 80 N 0.50 0.99 -0.26 4.18 4.21 -0.34 0.11 115.58 124.97 3g1y h ASN 80 Ca -0.00 -0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.51 3g1y h ASN 80 Cb 1.18 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 38.11 3g1y h ASN 80 CO 0.12 0.71 0.11 -0.08 -1.29 0.00 0.00 177.43 176.99 3g1y h GLU 81 N 1.16 0.23 -0.63 0.81 4.81 -0.92 -0.88 114.58 119.17 3g1y h GLU 81 Ca 0.33 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.48 3g1y h GLU 81 Cb -0.10 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3g1y h GLU 81 CO -0.08 0.15 0.16 0.87 -0.73 0.00 0.00 179.01 179.38 3g1y h LYS 82 N 0.23 1.00 -0.29 1.92 1.57 -1.01 -0.38 116.57 119.61 3g1y h LYS 82 Ca 0.11 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3g1y h LYS 82 Cb 0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3g1y h LYS 82 CO -0.10 0.91 0.12 0.82 -0.57 0.00 0.00 179.45 180.63 3g1y h ILE 83 N 0.92 1.17 -0.33 1.86 2.04 -0.73 -0.85 117.51 121.59 3g1y h ILE 83 Ca 0.20 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3g1y h ILE 83 Cb 0.35 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3g1y h ILE 83 CO 0.00 0.18 0.18 0.00 0.00 0.00 0.00 178.15 178.51 3g1y h ARG 85 N 0.42 0.67 -0.70 0.00 2.43 -0.91 0.13 114.38 116.43 3g1y h ARG 85 Ca 0.12 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3g1y h ARG 85 Cb 0.07 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3g1y h ARG 85 CO -0.02 0.44 0.22 0.00 -1.51 0.00 0.00 179.97 179.11 3g1y h ALA 86 N 1.19 0.91 -0.41 2.80 0.00 -0.97 0.42 119.26 123.20 3g1y h ALA 86 Ca 0.19 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3g1y h ALA 86 Cb -0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3g1y h ALA 86 CO -0.05 0.58 -0.20 1.15 0.00 0.00 0.00 179.25 180.74 3g1y h THR 87 N 1.02 1.28 -0.16 0.00 2.02 -0.64 -1.82 112.91 114.60 3g1y h THR 87 Ca 0.22 -1.34 -0.16 0.00 0.77 0.00 0.00 66.41 65.91 3g1y h THR 87 Cb 0.29 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3g1y h THR 87 CO -0.01 0.45 -0.56 -0.26 0.37 0.00 0.00 175.52 175.52 3g1y h PHE 88 N 0.69 0.62 -0.35 3.16 0.04 -0.64 -2.46 116.94 118.00 3g1y h PHE 88 Ca 0.09 -0.22 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 3g1y h PHE 88 Cb 0.76 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 3g1y h PHE 88 CO 0.06 0.94 0.10 -0.22 -0.60 0.00 0.00 178.31 178.58 3g1y h LYS 89 N 0.38 0.51 0.00 1.51 3.64 -0.78 -0.12 116.57 121.71 3g1y h LYS 89 Ca 0.01 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3g1y h LYS 89 Cb 1.09 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3g1y h LYS 89 CO 0.10 0.46 0.00 0.00 -2.27 0.00 0.00 179.45 177.74 3g1y n ALA 90 N -2.48 2.08 0.00 5.00 0.00 -0.70 -4.88 120.51 119.54 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 0.17 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 0.44 0.66 3.75 0.00 0.00 -0.06 -3.54 105.19 106.45 3g1y n GLY 91 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3g1y n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1y s ALA 92 N -2.00 3.72 0.01 4.61 0.00 -0.95 -4.84 121.76 122.31 3g1y s ALA 92 Ca 0.00 1.54 0.10 0.00 0.00 0.00 0.00 51.96 53.61 3g1y s ALA 92 Cb 0.00 -3.63 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 3g1y s ALA 92 CO 0.00 -0.96 1.35 -0.44 0.00 0.00 0.00 175.76 175.71 3g1y h ASP 93 N 4.73 0.00 -5.09 0.00 3.32 -1.51 -3.42 116.42 114.46 3g1y h ASP 93 Ca -0.47 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 3g1y h ASP 93 Cb 1.22 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.65 3g1y h ASP 93 CO 0.78 0.80 -0.06 0.00 -1.72 0.00 0.00 179.24 179.03 3g1y s ALA 94 N -2.83 -0.87 0.01 3.45 0.00 -1.04 -1.84 121.76 118.65 3g1y s ALA 94 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.85 3g1y s ALA 94 Cb 0.09 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 3g1y s ALA 94 CO 0.79 -0.68 -0.04 -1.50 0.00 0.00 0.00 175.76 174.33 3g1y s ILE 95 N -3.83 0.26 -0.18 0.00 2.07 -0.52 -0.52 121.20 118.49 3g1y s ILE 95 Ca 0.05 -0.34 -0.13 0.00 -1.41 0.00 0.00 60.65 58.82 3g1y s ILE 95 Cb 0.01 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.29 3g1y s ILE 95 CO -0.09 -0.06 0.27 -0.63 -1.91 0.00 0.00 174.94 172.52 3g1y s ILE 96 N -0.40 5.32 0.01 2.00 1.01 -0.35 -0.67 121.20 128.12 3g1y s ILE 96 Ca -0.02 0.49 0.07 0.00 0.00 0.00 0.00 60.65 61.18 3g1y s ILE 96 Cb -0.03 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 3g1y s ILE 96 CO -0.00 0.38 -0.21 -0.69 0.00 0.00 0.00 174.94 174.42 3g1y s VAL 97 N 0.57 1.68 0.44 2.92 1.01 0.32 -1.22 120.40 126.11 3g1y s VAL 97 Ca 0.15 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 3g1y s VAL 97 Cb -0.13 -1.42 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 3g1y s VAL 97 CO 0.03 0.38 1.01 -1.00 0.00 0.00 0.00 175.10 175.52 3g1y s HIS 98 N -0.60 3.19 -0.23 5.22 3.76 0.19 -0.74 115.29 126.07 3g1y s HIS 98 Ca 0.08 1.62 0.19 0.00 -0.15 0.00 0.00 55.06 56.80 3g1y s HIS 98 Cb -0.08 -3.01 -0.28 0.00 1.11 0.00 0.00 32.58 30.31 3g1y s HIS 98 CO 0.00 -0.52 0.51 0.41 -0.85 0.00 0.00 174.74 174.29 3g1y n GLY 99 N -0.16 -0.86 0.28 -2.22 0.00 -1.24 -4.54 105.19 96.46 3g1y n GLY 99 Ca 0.07 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.73 3g1y n GLY 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3g1y h PHE 100 N 0.00 0.00 0.00 1.61 -5.15 -1.94 -1.27 116.94 110.19 3g1y h PHE 100 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3g1y h PHE 100 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.95 3g1y h PHE 100 CO 0.00 0.00 0.00 -2.30 -2.00 0.00 0.00 178.31 174.01 3g1y n PRO 101 N -4.31 0.34 0.00 6.09 -0.02 -1.26 -4.98 135.00 130.87 3g1y n PRO 101 Ca -0.02 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3g1y n PRO 101 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 0.24 1.44 0.31 -1.23 0.00 -0.48 -4.63 105.19 100.83 3g1y n GLY 102 Ca 0.10 -2.10 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 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 0.86 -0.61 4.61 0.00 -1.94 -2.77 119.26 119.42 3g1y h ALA 103 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3g1y h ALA 103 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3g1y h ALA 103 CO 0.00 0.67 0.09 -0.44 0.00 0.00 0.00 179.25 179.57 3g1y h ASP 104 N 0.99 0.94 -0.19 0.00 3.45 -1.99 0.78 116.42 120.39 3g1y h ASP 104 Ca 0.18 -0.21 -0.07 0.00 0.43 0.00 0.00 57.03 57.35 3g1y h ASP 104 Cb 0.53 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 3g1y h ASP 104 CO 0.03 0.94 -0.10 0.28 -1.57 0.00 0.00 179.24 178.82 3g1y h SER 105 N 0.93 0.54 -0.10 6.45 0.02 -1.80 -1.41 113.55 118.18 3g1y h SER 105 Ca 0.19 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.83 3g1y h SER 105 Cb 0.41 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.81 3g1y h SER 105 CO 0.01 0.68 -0.59 0.58 -1.14 0.00 0.00 176.83 176.37 3g1y h VAL 106 N 0.52 1.35 -0.38 2.27 2.07 -1.16 -3.22 116.25 117.70 3g1y h VAL 106 Ca 0.10 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 3g1y h VAL 106 Cb 0.49 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3g1y h VAL 106 CO 0.03 0.58 0.20 -0.09 0.02 0.00 0.00 177.57 178.31 3g1y h ARG 107 N 0.19 0.52 -0.84 1.57 2.43 -0.61 -0.77 114.38 116.87 3g1y h ARG 107 Ca -0.05 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3g1y h ARG 107 Cb 1.24 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 3g1y h ARG 107 CO 0.12 0.39 0.55 0.00 -1.51 0.00 0.00 179.97 179.52 3g1y h ALA 108 N 1.70 1.54 -0.16 2.80 0.00 -1.27 0.18 119.26 124.05 3g1y h ALA 108 Ca 0.14 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3g1y h ALA 108 Cb 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.55 3g1y h ALA 108 CO -0.02 0.36 -0.52 0.00 0.00 0.00 0.00 179.25 179.06 3g1y h LEU 110 N 0.31 0.80 -0.32 0.00 3.38 -0.35 -1.42 115.31 117.71 3g1y h LEU 110 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3g1y h LEU 110 Cb 1.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3g1y h LEU 110 CO 0.11 0.60 0.17 0.78 0.09 0.00 0.00 178.44 180.19 3g1y h ASN 111 N 0.94 0.41 -0.38 -0.43 2.35 -0.63 0.11 115.58 117.94 3g1y h ASN 111 Ca 0.25 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 3g1y h ASN 111 Cb -0.07 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3g1y h ASN 111 CO -0.05 0.39 -0.22 0.58 -1.65 0.00 0.00 177.43 176.48 3g1y h VAL 112 N 0.39 1.27 -0.53 2.81 2.07 -1.38 -1.61 116.25 119.27 3g1y h VAL 112 Ca 0.11 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 3g1y h VAL 112 Cb 0.08 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3g1y h VAL 112 CO -0.02 0.46 0.20 0.00 0.02 0.00 0.00 177.57 178.23 3g1y h ALA 113 N 0.98 1.35 -0.14 1.67 0.00 -1.03 -0.92 119.26 121.17 3g1y h ALA 113 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3g1y h ALA 113 Cb 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3g1y h ALA 113 CO 0.06 0.48 0.00 1.49 0.00 0.00 0.00 179.25 181.29 3g1y h GLU 114 N 0.76 0.25 -0.02 0.00 4.57 -0.58 0.73 114.58 120.29 3g1y h GLU 114 Ca 0.18 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3g1y h GLU 114 Cb 0.17 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3g1y h GLU 114 CO -0.01 0.47 -0.30 1.05 -1.18 0.00 0.00 179.01 179.04 3g1y h GLU 115 N -0.00 0.04 -0.02 1.92 4.11 -0.97 -3.12 114.58 116.54 3g1y h GLU 115 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3g1y h GLU 115 Cb 0.36 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3g1y h GLU 115 CO 0.01 0.34 -0.01 -1.33 0.07 0.00 0.00 179.01 178.09 3g1y n MET 116 N -4.17 1.70 -3.19 1.06 2.81 -0.38 -4.99 117.12 109.97 3g1y n MET 116 Ca -0.02 -1.64 -0.15 0.00 -1.81 0.00 0.00 57.70 54.08 3g1y n MET 116 Cb 0.36 -1.37 0.05 0.00 -0.71 0.00 0.00 33.22 31.54 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 1.10 0.01 0.56 3.03 0.00 0.04 -5.04 105.19 104.89 3g1y n GLY 117 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.34 1.75 -4.40 1.61 5.12 -0.02 -5.04 116.66 112.34 3g1y n ARG 118 Ca 0.00 -0.56 -0.23 0.00 -1.93 0.00 0.00 57.85 55.13 3g1y n ARG 118 Cb 0.54 0.14 -0.13 0.00 -1.16 0.00 0.00 32.46 31.85 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 -2.29 1.15 -0.10 5.56 0.41 -0.76 -4.60 118.70 118.07 3g1y s GLU 119 Ca 0.01 -1.00 0.02 0.00 -0.41 0.00 0.00 54.97 53.58 3g1y s GLU 119 Cb -0.00 -1.30 -0.01 0.00 -1.78 0.00 0.00 34.13 31.04 3g1y s GLU 119 CO 0.00 0.31 -0.16 0.08 -0.49 0.00 0.00 175.26 175.01 3g1y s VAL 120 N -1.01 2.82 -0.16 2.63 1.01 -1.26 -1.43 120.40 123.00 3g1y s VAL 120 Ca 0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3g1y s VAL 120 Cb -0.09 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3g1y s VAL 120 CO 0.03 0.55 -0.06 -0.36 0.00 0.00 0.00 175.10 175.25 3g1y s PHE 121 N 0.08 2.96 -0.21 5.22 0.08 0.16 -4.09 117.98 122.18 3g1y s PHE 121 Ca -0.07 -0.47 -0.16 0.00 0.12 0.00 0.00 56.93 56.34 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 -0.15 0.42 -1.17 -0.10 0.00 0.00 175.22 174.27 3g1y s LEU 122 N 0.52 4.14 -0.45 -0.37 2.96 -0.16 -0.52 118.68 124.79 3g1y s LEU 122 Ca -0.05 0.52 -0.25 0.00 -0.22 0.00 0.00 54.13 54.13 3g1y s LEU 122 Cb -0.15 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.03 3g1y s LEU 122 CO 0.03 -0.11 0.92 -0.22 -1.32 0.00 0.00 176.35 175.64 3g1y s LEU 123 N 1.48 4.02 0.11 -0.68 2.96 0.08 -1.12 118.68 125.53 3g1y s LEU 123 Ca 0.19 0.17 0.16 0.00 -0.22 0.00 0.00 54.13 54.43 3g1y s LEU 123 Cb -0.15 -3.19 -0.09 0.00 0.50 0.00 0.00 46.19 43.26 3g1y s LEU 123 CO 0.08 -1.02 0.99 0.71 -1.32 0.00 0.00 176.35 175.80 3g1y h THR 124 N 6.04 0.66 -2.48 3.68 1.35 -1.81 -3.29 112.91 117.07 3g1y h THR 124 Ca -0.24 -2.15 0.04 0.00 -0.55 0.00 0.00 66.41 63.51 3g1y h THR 124 Cb 1.08 2.19 -0.15 0.00 -1.73 0.00 0.00 68.15 69.53 3g1y h THR 124 CO 1.02 0.38 0.35 -0.70 -0.25 0.00 0.00 175.52 176.31 3g1y s GLU 125 N -2.91 1.02 0.23 4.72 2.12 -1.26 -4.28 118.70 118.33 3g1y s GLU 125 Ca -0.01 -0.27 0.10 0.00 0.36 0.00 0.00 54.97 55.15 3g1y s GLU 125 Cb 0.08 0.47 -0.05 0.00 0.26 0.00 0.00 34.13 34.90 3g1y s GLU 125 CO 0.80 -0.42 -0.18 -1.64 -0.54 0.00 0.00 175.26 173.27 3g1y s MET 126 N -2.99 1.48 0.00 4.30 -1.94 -1.26 -4.18 119.30 114.71 3g1y s MET 126 Ca 0.01 -1.62 0.01 0.00 -1.71 0.00 0.00 55.69 52.38 3g1y s MET 126 Cb -0.01 -1.50 0.02 0.00 2.01 0.00 0.00 34.83 35.35 3g1y s MET 126 CO -0.08 0.28 0.83 -1.13 -0.01 0.00 0.00 175.02 174.92 3g1y n SER 127 N -0.29 1.70 -4.79 3.03 3.41 -1.26 -4.83 113.62 110.60 3g1y n SER 127 Ca -0.08 -1.64 -0.31 0.00 -0.26 0.00 0.00 58.87 56.58 3g1y n SER 127 Cb 0.59 -0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.61 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 -0.65 2.78 0.07 7.33 -3.43 -1.26 -4.90 115.29 115.23 3g1y s HIS 128 Ca 0.02 1.47 -0.15 0.00 -0.80 0.00 0.00 55.06 55.60 3g1y s HIS 128 Cb 0.01 -2.99 -0.03 0.00 -1.43 0.00 0.00 32.58 28.13 3g1y s HIS 128 CO 0.01 -1.61 1.09 -2.30 -2.00 0.00 0.00 174.74 169.94 3g1y n PRO 129 N -3.39 -0.21 0.00 -0.38 -0.02 -1.26 -1.19 135.00 128.55 3g1y n PRO 129 Ca 0.08 1.08 0.01 0.00 -2.02 0.00 0.00 63.50 62.65 3g1y n PRO 129 Cb 0.53 -1.60 0.04 0.00 -0.02 0.00 0.00 33.50 32.46 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 -1.12 -0.39 0.31 -1.23 0.00 -1.26 -3.08 105.19 98.43 3g1y n GLY 130 Ca 0.01 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 2.08 1.15 0.00 4.61 0.00 -1.47 -2.09 119.26 123.54 3g1y h ALA 131 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g1y h ALA 131 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3g1y h ALA 131 CO 0.00 0.02 0.00 1.05 0.00 0.00 0.00 179.25 180.32 3g1y h GLU 132 N 0.00 0.00 -0.06 0.00 9.09 -1.75 0.09 114.58 121.95 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 0.12 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.22 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 0.08 0.00 1.06 2.86 -1.65 -3.42 114.93 113.87 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 0.63 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3g1y h MET 133 CO 0.00 0.16 -0.32 1.19 1.06 0.00 0.00 176.91 179.00 3g1y n PHE 134 N -4.99 0.00 -0.04 -0.22 3.72 -1.24 -4.90 117.46 109.78 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 0.08 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.56 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 1.25 -0.78 4.37 2.04 -1.74 -3.16 117.51 119.50 3g1y h ILE 135 Ca 0.00 -0.82 0.09 0.00 1.00 0.00 0.00 64.86 65.13 3g1y h ILE 135 Cb 0.32 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 3g1y h ILE 135 CO 0.00 0.24 0.42 -0.61 0.00 0.00 0.00 178.15 178.20 3g1y h GLN 136 N -0.02 0.69 0.00 2.37 4.15 -1.22 -1.34 115.11 119.73 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 0.37 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3g1y h GLN 136 CO 0.01 0.46 0.00 0.78 -1.93 0.00 0.00 178.83 178.15 3g1y h GLY 137 N 0.71 0.00 -0.54 2.39 0.00 -1.82 -3.08 103.07 100.74 3g1y h GLY 137 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3g1y h GLY 137 CO -0.25 0.00 -0.53 0.00 0.00 0.00 0.00 176.54 175.75 3g1y n ALA 138 N -1.99 3.64 -0.05 3.60 0.00 -0.67 -4.68 120.51 120.35 3g1y n ALA 138 Ca 0.01 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 3g1y n ALA 138 Cb 0.30 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 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 2.91 -0.08 -0.59 0.00 0.00 -1.19 0.02 119.26 120.33 3g1y h ALA 139 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3g1y h ALA 139 Cb 0.54 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3g1y h ALA 139 CO 0.00 -0.64 0.37 -0.44 0.00 0.00 0.00 179.25 178.54 3g1y h ASP 140 N -0.22 0.70 -0.23 0.00 3.32 -1.83 -0.79 116.42 117.37 3g1y h ASP 140 Ca 0.14 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3g1y h ASP 140 Cb 0.43 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3g1y h ASP 140 CO -0.38 0.53 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.43 3g1y h GLU 141 N 0.80 0.66 -0.55 3.56 4.81 -1.79 -0.74 114.58 121.33 3g1y h GLU 141 Ca 0.21 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 3g1y h GLU 141 Cb -0.05 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3g1y h GLU 141 CO -0.04 0.79 -0.02 0.82 -0.73 0.00 0.00 179.01 179.83 3g1y h ILE 142 N 0.59 1.27 -0.50 2.32 2.04 -0.61 0.14 117.51 122.77 3g1y h ILE 142 Ca 0.10 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.77 3g1y h ILE 142 Cb 0.61 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3g1y h ILE 142 CO 0.04 0.41 0.15 0.00 0.00 0.00 0.00 178.15 178.75 3g1y h ALA 143 N 0.95 0.65 -0.55 1.87 0.00 -0.85 -0.88 119.26 120.46 3g1y h ALA 143 Ca 0.15 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3g1y h ALA 143 Cb 0.56 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3g1y h ALA 143 CO 0.03 0.31 0.11 0.00 0.00 0.00 0.00 179.25 179.70 3g1y h ARG 144 N 0.67 0.86 -0.47 0.00 3.08 -0.87 -1.33 114.38 116.32 3g1y h ARG 144 Ca 0.16 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3g1y h ARG 144 Cb 0.28 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3g1y h ARG 144 CO -0.00 0.79 0.28 1.98 -1.07 0.00 0.00 179.97 181.95 3g1y h MET 145 N 0.82 0.64 -0.52 0.04 4.05 -0.29 -0.60 114.93 119.08 3g1y h MET 145 Ca 0.18 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 3g1y h MET 145 Cb 0.33 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 3g1y h MET 145 CO 0.00 0.47 0.34 0.78 0.23 0.00 0.00 176.91 178.73 3g1y h GLY 146 N 0.63 0.73 0.99 1.39 0.00 -0.62 -1.91 103.07 104.27 3g1y h GLY 146 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3g1y h GLY 146 CO -0.03 0.26 0.01 -2.08 0.00 0.00 0.00 176.54 174.70 3g1y h VAL 147 N 0.69 1.00 0.00 4.60 2.07 -0.83 -1.01 116.25 122.77 3g1y h VAL 147 Ca 0.19 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 3g1y h VAL 147 Cb -0.07 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3g1y h VAL 147 CO -0.05 0.01 -0.00 0.44 0.02 0.00 0.00 177.57 177.99 3g1y h ASP 148 N 0.03 0.00 0.04 0.57 3.32 -0.88 -0.42 116.42 119.08 3g1y h ASP 148 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3g1y h ASP 148 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g1y h ASP 148 CO -0.01 0.00 -0.15 0.18 -1.72 0.00 0.00 179.24 177.55 3g1y n LEU 149 N -3.17 1.83 0.00 1.55 4.77 -0.56 -4.95 117.00 116.46 3g1y n LEU 149 Ca -0.03 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3g1y n LEU 149 Cb 0.08 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3g1y n LEU 149 CO 0.21 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3g1y n GLY 150 N 1.30 0.56 3.75 -0.72 0.00 -0.17 -5.00 105.19 104.90 3g1y n GLY 150 Ca 0.14 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 2.30 -0.48 1.61 1.01 -0.49 -4.91 120.40 117.45 3g1y s VAL 151 Ca 0.00 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.32 3g1y s VAL 151 Cb 0.00 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 3g1y s VAL 151 CO 0.00 0.04 0.41 0.29 0.00 0.00 0.00 175.10 175.84 3g1y n LYS 152 N 2.39 3.80 -4.88 2.72 5.02 -1.26 -4.66 118.16 121.28 3g1y n LYS 152 Ca 0.08 -0.07 -0.27 0.00 -2.02 0.00 0.00 58.31 56.03 3g1y n LYS 152 Cb 0.38 -0.94 -0.16 0.00 -0.02 0.00 0.00 35.03 34.29 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 -1.80 2.32 0.05 4.39 0.01 -1.26 -0.00 114.94 118.66 3g1y s ASN 153 Ca 0.04 -0.39 0.03 0.00 -0.71 0.00 0.00 52.86 51.83 3g1y s ASN 153 Cb 0.07 -0.86 -0.03 0.00 0.41 0.00 0.00 41.25 40.84 3g1y s ASN 153 CO 0.36 0.13 -0.10 -0.31 -1.51 0.00 0.00 177.10 175.67 3g1y s TYR 154 N 0.27 0.84 -0.17 2.20 2.02 0.34 -0.99 117.35 121.85 3g1y s TYR 154 Ca -0.10 -0.51 -0.00 0.00 -0.37 0.00 0.00 57.07 56.09 3g1y s TYR 154 Cb -0.14 -0.49 0.00 0.00 -0.40 0.00 0.00 41.96 40.93 3g1y s TYR 154 CO 0.04 -0.04 -0.14 0.08 -1.57 0.00 0.00 175.55 173.91 3g1y s VAL 155 N -1.45 2.64 0.49 0.71 1.01 -0.28 -1.48 120.40 122.05 3g1y s VAL 155 Ca -0.07 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.24 3g1y s VAL 155 Cb -0.09 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.20 3g1y s VAL 155 CO 0.01 0.50 0.66 -0.83 0.00 0.00 0.00 175.10 175.44 3g1y s GLY 156 N 1.08 1.87 0.00 4.51 0.00 -0.44 -2.51 107.32 111.82 3g1y s GLY 156 Ca -0.00 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.83 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 -2.02 0.00 -2.78 2.90 -0.04 -1.26 -4.58 135.00 127.23 3g1y n PRO 157 Ca 0.11 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.54 3g1y n PRO 157 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.03 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 -3.40 -0.25 0.54 1.74 -1.26 -4.56 116.66 109.48 3g1y n ARG 160 Ca 0.00 2.66 0.06 0.00 -0.77 0.00 0.00 57.85 59.80 3g1y n ARG 160 Cb 0.00 -3.64 0.18 0.00 -1.02 0.00 0.00 32.46 27.98 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 4.36 0.27 0.00 5.56 0.11 -2.00 -1.27 132.00 139.02 3g1y h PRO 161 Ca -0.35 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 3g1y h PRO 161 Cb 0.82 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 3g1y h PRO 161 CO 0.01 0.18 -0.07 1.05 -0.21 0.00 0.00 178.00 178.96 3g1y h GLU 162 N 0.28 0.00 -0.02 1.05 9.09 -2.02 -2.04 114.58 120.92 3g1y h GLU 162 Ca 0.42 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.59 3g1y h GLU 162 Cb 0.71 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.82 3g1y h GLU 162 CO -0.50 0.07 -0.95 0.00 0.05 0.00 0.00 179.01 177.68 3g1y h ARG 163 N 0.00 0.57 -0.33 1.06 2.47 -1.67 -2.44 114.38 114.04 3g1y h ARG 163 Ca -0.00 -0.58 -0.07 0.00 -1.26 0.00 0.00 59.98 58.07 3g1y h ARG 163 Cb 0.20 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 3g1y h ARG 163 CO 0.01 1.20 -0.09 1.25 0.56 0.00 0.00 179.97 182.90 3g1y h LEU 164 N 0.33 0.53 -0.54 3.04 5.85 -1.28 -1.40 115.31 121.84 3g1y h LEU 164 Ca -0.09 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 3g1y h LEU 164 Cb 1.59 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 3g1y h LEU 164 CO 0.18 0.66 -0.18 -1.28 -0.34 0.00 0.00 178.44 177.48 3g1y h SER 165 N 0.51 1.00 -0.54 1.25 0.87 -1.34 -1.82 113.55 113.48 3g1y h SER 165 Ca 0.10 -0.36 -0.08 0.00 -1.23 0.00 0.00 61.79 60.22 3g1y h SER 165 Cb 0.47 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 3g1y h SER 165 CO 0.03 1.15 0.03 -0.09 -0.53 0.00 0.00 176.83 177.42 3g1y h ARG 166 N 0.86 0.94 -0.23 2.24 9.65 -1.00 -2.32 114.38 124.51 3g1y h ARG 166 Ca 0.12 -0.28 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 3g1y h ARG 166 Cb 0.75 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 3g1y h ARG 166 CO 0.06 0.93 0.11 1.25 2.80 0.00 0.00 179.97 185.12 3g1y h LEU 167 N 0.82 0.31 -1.52 3.80 5.85 -1.11 -2.13 115.31 121.32 3g1y h LEU 167 Ca 0.16 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3g1y h LEU 167 Cb 0.49 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3g1y h LEU 167 CO 0.02 0.36 0.38 -0.09 -0.34 0.00 0.00 178.44 178.77 3g1y h ARG 168 N 0.24 0.60 -0.33 1.25 9.65 -1.24 -1.22 114.38 123.33 3g1y h ARG 168 Ca 0.08 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 3g1y h ARG 168 Cb 0.13 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 3g1y h ARG 168 CO -0.01 0.39 0.09 0.93 2.80 0.00 0.00 179.97 184.18 3g1y h GLU 169 N 0.61 0.52 -0.33 0.20 4.39 -0.95 -1.54 114.58 117.48 3g1y h GLU 169 Ca 0.24 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 3g1y h GLU 169 Cb 0.18 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3g1y h GLU 169 CO -0.07 0.57 -0.01 0.82 -1.16 0.00 0.00 179.01 179.16 3g1y h ILE 170 N 0.38 1.26 0.00 3.13 2.04 -0.70 -3.24 117.51 120.38 3g1y h ILE 170 Ca 0.11 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.98 3g1y h ILE 170 Cb 0.27 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3g1y h ILE 170 CO -0.00 0.32 -0.22 2.30 0.00 0.00 0.00 178.15 180.55 3g1y n ILE 171 N -4.52 0.05 0.00 -0.67 -5.35 -0.54 -4.92 119.36 103.40 3g1y n ILE 171 Ca -0.02 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 3g1y n ILE 171 Cb 0.28 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.97 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 1.48 -0.47 0.23 3.28 0.00 -0.58 -4.22 105.19 104.91 3g1y n GLY 172 Ca 0.06 -1.72 0.12 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 0.20 1.61 1.08 -1.92 -3.33 115.11 112.76 3g1y h GLN 173 Ca 0.00 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 3g1y h GLN 173 Cb 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.46 3g1y h GLN 173 CO 0.00 0.06 -1.39 -0.44 -0.95 0.00 0.00 178.83 176.11 3g1y h ASP 174 N 0.00 0.85 -3.17 1.46 3.32 -1.95 -3.47 116.42 113.45 3g1y h ASP 174 Ca -0.00 -0.86 -0.57 0.00 0.02 0.00 0.00 57.03 55.62 3g1y h ASP 174 Cb 0.91 -0.27 0.17 0.00 0.22 0.00 0.00 39.33 40.36 3g1y h ASP 174 CO 0.01 1.66 -0.27 -1.20 -1.72 0.00 0.00 179.24 177.72 3g1y n SER 175 N -3.74 -0.64 -4.69 6.45 7.64 -1.25 -4.95 113.62 112.44 3g1y n SER 175 Ca -0.15 0.72 -0.38 0.00 1.01 0.00 0.00 58.87 60.07 3g1y n SER 175 Cb 1.06 -1.23 -0.07 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.71 3.42 -0.07 1.43 5.36 1.00 -4.98 117.98 122.43 3g1y s PHE 176 Ca 0.70 0.71 0.02 0.00 -0.96 0.00 0.00 56.93 57.40 3g1y s PHE 176 Cb -0.42 -2.53 0.01 0.00 -0.34 0.00 0.00 43.02 39.74 3g1y s PHE 176 CO 0.53 0.05 -0.12 -1.17 -1.46 0.00 0.00 175.22 173.06 3g1y s LEU 177 N 1.07 1.59 0.07 6.12 2.96 -1.26 -0.51 118.68 128.72 3g1y s LEU 177 Ca 0.21 -0.30 0.09 0.00 -0.22 0.00 0.00 54.13 53.92 3g1y s LEU 177 Cb -0.15 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 3g1y s LEU 177 CO 0.08 0.01 -0.25 0.27 -1.32 0.00 0.00 176.35 175.15 3g1y s ILE 178 N 0.80 2.01 0.03 6.68 -4.36 -0.55 0.10 121.20 125.91 3g1y s ILE 178 Ca -0.12 -1.44 -0.12 0.00 -0.26 0.00 0.00 60.65 58.71 3g1y s ILE 178 Cb -0.15 -1.75 0.01 0.00 1.25 0.00 0.00 42.46 41.82 3g1y s ILE 178 CO 0.02 0.23 0.25 -0.44 0.24 0.00 0.00 174.94 175.24 3g1y s SER 179 N -1.46 -0.07 -1.23 4.36 0.01 -0.95 -1.33 113.70 113.02 3g1y s SER 179 Ca 0.11 -0.20 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 3g1y s SER 179 Cb -0.10 0.31 -0.06 0.00 0.21 0.00 0.00 66.02 66.39 3g1y s SER 179 CO 0.03 -0.54 2.35 -0.81 0.41 0.00 0.00 173.24 174.68 3g1y n PRO 180 N 0.81 2.63 0.00 12.44 -0.04 -1.26 0.24 135.00 149.83 3g1y n PRO 180 Ca -0.20 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 3g1y n PRO 180 Cb 0.58 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.94 0.00 0.20 0.55 0.00 -1.26 -4.44 105.19 104.19 3g1y n GLY 190 Ca 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.28 -0.47 1.61 4.39 -2.01 -3.09 114.58 114.73 3g1y h GLU 191 Ca 0.00 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.80 3g1y h GLU 191 Cb 0.00 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.64 3g1y h GLU 191 CO 0.00 -0.19 0.05 1.15 -1.16 0.00 0.00 179.01 178.87 3g1y h THR 192 N -0.29 0.69 0.00 1.13 2.02 -1.97 -1.58 112.91 112.91 3g1y h THR 192 Ca 0.04 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3g1y h THR 192 Cb 0.33 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3g1y h THR 192 CO -0.12 0.03 0.00 0.18 0.37 0.00 0.00 175.52 175.98 3g1y n LEU 193 N -5.16 0.00 0.14 2.58 4.77 -1.17 -0.78 117.00 117.37 3g1y n LEU 193 Ca 0.05 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.05 3g1y n LEU 193 Cb 0.24 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 3g1y n LEU 193 CO 0.19 0.00 0.46 0.03 -1.33 0.00 0.00 177.39 176.74 3g1y h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -1.29 -3.38 114.38 116.01 3g1y h ARG 194 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 3g1y h ARG 194 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3g1y h ARG 194 CO 0.00 0.50 -1.35 1.19 -1.07 0.00 0.00 179.97 179.24 3g1y n PHE 195 N -3.22 0.00 -3.16 3.04 3.72 -0.69 -5.04 117.46 112.10 3g1y n PHE 195 Ca 0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.10 3g1y n PHE 195 Cb 0.74 -0.24 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 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 -2.12 3.39 -0.22 4.37 0.00 0.04 -4.87 121.76 122.33 3g1y s ALA 196 Ca -0.08 -0.08 0.18 0.00 0.00 0.00 0.00 51.96 51.98 3g1y s ALA 196 Cb 0.02 -2.67 0.07 0.00 0.00 0.00 0.00 23.12 20.55 3g1y s ALA 196 CO 0.14 0.32 1.30 -0.44 0.00 0.00 0.00 175.76 177.07 3g1y h ASP 197 N 2.15 0.00 -4.84 0.00 3.32 -0.65 -3.39 116.42 113.02 3g1y h ASP 197 Ca -0.48 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.48 3g1y h ASP 197 Cb 1.18 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.52 3g1y h ASP 197 CO 0.66 0.34 -0.09 0.00 -1.72 0.00 0.00 179.24 178.43 3g1y s ALA 198 N -3.07 -1.20 0.02 3.45 0.00 -1.18 -4.77 121.76 115.01 3g1y s ALA 198 Ca 0.03 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.83 3g1y s ALA 198 Cb 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 3g1y s ALA 198 CO 0.75 -0.30 0.08 0.96 0.00 0.00 0.00 175.76 177.26 3g1y s ILE 199 N -1.05 4.69 -0.22 0.00 -4.36 -0.24 -2.25 121.20 117.77 3g1y s ILE 199 Ca -0.11 -0.51 -0.07 0.00 -0.26 0.00 0.00 60.65 59.71 3g1y s ILE 199 Cb -0.03 -3.18 -0.03 0.00 1.25 0.00 0.00 42.46 40.47 3g1y s ILE 199 CO 0.06 0.28 0.06 -0.63 0.24 0.00 0.00 174.94 174.95 3g1y s ILE 200 N -1.25 4.37 -0.06 8.37 1.01 0.14 -0.40 121.20 133.36 3g1y s ILE 200 Ca 0.25 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.78 3g1y s ILE 200 Cb -0.12 -3.01 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 3g1y s ILE 200 CO 0.16 0.38 -0.19 -0.69 0.00 0.00 0.00 174.94 174.61 3g1y s VAL 201 N 1.20 1.61 0.00 2.92 1.01 0.13 -4.34 120.40 122.94 3g1y s VAL 201 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3g1y s VAL 201 Cb -0.14 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3g1y s VAL 201 CO 0.03 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3g1y n GLY 202 N 3.34 0.66 0.33 4.51 0.00 -1.26 -0.79 105.19 111.97 3g1y n GLY 202 Ca -0.19 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.96 0.24 114.38 117.67 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 0.06 0.43 -1.07 0.00 0.00 179.97 179.60 3g1y n SER 204 N -5.08 0.00 0.03 7.04 7.64 -1.26 -1.60 113.62 120.40 3g1y n SER 204 Ca 0.29 0.41 -0.01 0.00 1.01 0.00 0.00 58.87 60.57 3g1y n SER 204 Cb 0.88 -0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.40 1.01 0.96 0.44 5.41 0.80 -4.79 119.36 121.79 3g1y n ILE 205 Ca 0.00 0.32 0.10 0.00 1.00 0.00 0.00 62.75 64.17 3g1y n ILE 205 Cb 0.06 -1.53 0.51 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 -3.36 0.00 -1.34 1.39 0.18 -0.92 -4.30 117.16 108.81 3g1y n TYR 206 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 3g1y n TYR 206 Cb 0.04 -0.28 0.21 0.00 -0.38 0.00 0.00 39.34 38.93 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 -1.28 3.82 0.00 -3.48 -0.00 -0.62 -5.02 117.00 110.42 3g1y n LEU 207 Ca 0.10 -3.58 0.00 0.00 -0.00 0.00 0.00 56.01 52.53 3g1y n LEU 207 Cb 0.16 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 3g1y n LEU 207 CO 0.15 1.11 0.00 -2.65 -0.00 0.00 0.00 177.39 176.00 3g1y n PRO 211 N -1.02 0.00 -0.27 1.96 -0.02 -1.26 -5.07 135.00 129.32 3g1y n PRO 211 Ca 0.28 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 3g1y n PRO 211 Cb 0.95 -0.08 0.11 0.00 -0.02 0.00 0.00 33.50 34.46 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 1.15 -0.35 3.55 0.00 -1.90 -1.24 119.26 120.47 3g1y h ALA 212 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3g1y h ALA 212 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3g1y h ALA 212 CO 0.00 0.63 -0.28 0.00 0.00 0.00 0.00 179.25 179.60 3g1y h ALA 213 N 1.27 0.51 -0.38 0.00 0.00 -1.99 -1.68 119.26 116.98 3g1y h ALA 213 Ca 0.26 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3g1y h ALA 213 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3g1y h ALA 213 CO -0.03 0.53 0.19 0.00 0.00 0.00 0.00 179.25 179.94 3g1y h ALA 214 N 0.76 0.49 -0.34 0.00 0.00 -1.82 -0.91 119.26 117.44 3g1y h ALA 214 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3g1y h ALA 214 Cb 0.86 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3g1y h ALA 214 CO 0.07 0.04 0.16 0.00 0.00 0.00 0.00 179.25 179.52 3g1y h ALA 215 N 1.05 0.44 -0.83 0.00 0.00 -1.21 -2.02 119.26 116.69 3g1y h ALA 215 Ca 0.13 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3g1y h ALA 215 Cb 0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3g1y h ALA 215 CO -0.02 0.01 0.54 0.00 0.00 0.00 0.00 179.25 179.78 3g1y h ALA 216 N 1.01 1.48 -0.22 0.00 0.00 -1.09 -1.94 119.26 118.50 3g1y h ALA 216 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3g1y h ALA 216 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3g1y h ALA 216 CO -0.01 0.44 0.02 0.78 0.00 0.00 0.00 179.25 180.48 3g1y h GLY 217 N 1.04 0.41 0.99 0.00 0.00 -0.78 -1.51 103.07 103.23 3g1y h GLY 217 Ca 0.32 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.38 3g1y h GLY 217 CO -0.09 0.26 0.47 -2.22 0.00 0.00 0.00 176.54 174.96 3g1y h ILE 218 N 0.16 1.17 -0.53 2.60 2.04 -1.01 0.20 117.51 122.15 3g1y h ILE 218 Ca 0.07 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 3g1y h ILE 218 Cb 0.36 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3g1y h ILE 218 CO 0.01 0.17 0.16 0.40 0.00 0.00 0.00 178.15 178.89 3g1y h ILE 219 N 0.95 1.24 0.00 -0.67 2.04 -1.30 -1.83 117.51 117.94 3g1y h ILE 219 Ca 0.26 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 3g1y h ILE 219 Cb -0.10 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3g1y h ILE 219 CO -0.06 0.30 -0.29 -0.08 0.00 0.00 0.00 178.15 178.02 3g1y h GLU 220 N 0.73 0.00 0.00 2.37 4.22 -0.79 -1.92 114.58 119.19 3g1y h GLU 220 Ca 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.59 3g1y h GLU 220 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3g1y h GLU 220 CO -0.00 0.29 -0.08 1.03 -2.18 0.00 0.00 179.01 178.07 3g1y h SER 221 N 0.00 0.00 -0.01 1.04 0.87 0.21 -3.51 113.55 112.16 3g1y h SER 221 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3g1y h SER 221 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3g1y h SER 221 CO 0.04 0.08 0.00 2.30 -0.53 0.00 0.00 176.83 178.72