#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1h s ASP 10 N 0.00 2.79 0.05 3.17 3.68 -1.26 -5.03 116.67 120.07 3g1h s ASP 10 Ca 0.00 2.17 0.08 0.00 2.13 0.00 0.00 52.55 56.93 3g1h s ASP 10 Cb 0.00 -2.56 -0.03 0.00 -1.45 0.00 0.00 42.92 38.88 3g1h s ASP 10 CO 0.00 -3.19 -0.19 -0.69 0.13 0.00 0.00 175.17 171.23 3g1h s VAL 11 N -2.64 2.73 0.09 1.11 1.01 -1.26 -5.07 120.40 116.37 3g1h s VAL 11 Ca 0.67 -1.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 3g1h s VAL 11 Cb -0.23 -2.16 -0.08 0.00 0.00 0.00 0.00 36.38 33.92 3g1h s VAL 11 CO 0.58 0.31 1.45 -0.32 0.00 0.00 0.00 175.10 177.12 3g1h s MET 12 N -1.51 4.28 -1.23 2.72 1.75 -1.26 -3.19 119.30 120.86 3g1h s MET 12 Ca 0.15 2.12 0.00 0.00 -1.25 0.00 0.00 55.69 56.71 3g1h s MET 12 Cb -0.10 -3.37 0.00 0.00 2.84 0.00 0.00 34.83 34.20 3g1h s MET 12 CO 0.06 -0.54 0.00 0.09 -0.65 0.00 0.00 175.02 173.98 3g1h n ASN 13 N 4.55 -5.41 -1.94 1.11 3.02 -1.26 -2.73 115.26 112.59 3g1h n ASN 13 Ca 0.13 0.29 -0.19 0.00 -0.03 0.00 0.00 54.58 54.77 3g1h n ASN 13 Cb 0.42 -3.93 -0.05 0.00 -0.61 0.00 0.00 39.78 35.61 3g1h n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g1h n ARG 14 N -1.30 -1.59 -3.98 3.52 1.74 -1.19 -4.96 116.66 108.88 3g1h n ARG 14 Ca -0.12 1.04 -0.30 0.00 -0.77 0.00 0.00 57.85 57.71 3g1h n ARG 14 Cb 0.55 -5.53 -0.16 0.00 -1.02 0.00 0.00 32.46 26.30 3g1h n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3g1h s LEU 15 N -5.18 1.75 -0.22 0.55 2.96 -1.10 -0.60 118.68 116.84 3g1h s LEU 15 Ca 0.00 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.27 3g1h s LEU 15 Cb 0.00 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 3g1h s LEU 15 CO 0.00 -0.10 0.04 -0.63 -1.32 0.00 0.00 176.35 174.34 3g1h s ILE 16 N 1.51 4.27 -0.18 6.68 1.01 0.67 -4.60 121.20 130.56 3g1h s ILE 16 Ca 0.03 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 3g1h s ILE 16 Cb -0.14 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 3g1h s ILE 16 CO -0.09 0.40 1.02 -0.22 0.00 0.00 0.00 174.94 176.04 3g1h s LEU 17 N 1.11 4.16 -0.89 2.97 2.96 -1.02 -1.10 118.68 126.87 3g1h s LEU 17 Ca 0.03 1.43 -0.16 0.00 -0.22 0.00 0.00 54.13 55.21 3g1h s LEU 17 Cb -0.14 -3.53 0.18 0.00 0.50 0.00 0.00 46.19 43.19 3g1h s LEU 17 CO 0.03 -0.56 0.96 0.00 -1.32 0.00 0.00 176.35 175.45 3g1h s ALA 18 N 2.66 3.73 -0.87 5.97 0.00 -0.47 0.19 121.76 132.97 3g1h s ALA 18 Ca 0.45 -3.05 -0.25 0.00 0.00 0.00 0.00 51.96 49.11 3g1h s ALA 18 Cb -0.16 -3.80 0.03 0.00 0.00 0.00 0.00 23.12 19.19 3g1h s ALA 18 CO 0.11 -2.64 1.43 1.41 0.00 0.00 0.00 175.76 176.08 3g1h s MET 19 N 1.43 3.29 -0.07 0.00 1.75 -0.64 -4.37 119.30 120.70 3g1h s MET 19 Ca 0.26 -0.58 0.13 0.00 -1.25 0.00 0.00 55.69 54.24 3g1h s MET 19 Cb -0.07 -4.77 0.40 0.00 2.84 0.00 0.00 34.83 33.22 3g1h s MET 19 CO -0.09 -2.29 1.32 -0.25 -0.65 0.00 0.00 175.02 173.06 3g1h n ASP 20 N 9.66 3.32 -4.76 1.11 8.00 -1.26 -4.34 116.55 128.27 3g1h n ASP 20 Ca 0.20 -2.40 -0.37 0.00 0.71 0.00 0.00 54.79 52.93 3g1h n ASP 20 Cb 0.50 -0.36 0.01 0.00 -0.02 0.00 0.00 41.12 41.26 3g1h n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g1h s LEU 21 N -1.71 3.90 -0.16 0.64 1.43 -1.26 -4.68 118.68 116.83 3g1h s LEU 21 Ca 0.31 2.47 0.17 0.00 -1.03 0.00 0.00 54.13 56.05 3g1h s LEU 21 Cb 0.21 -4.31 0.75 0.00 0.03 0.00 0.00 46.19 42.87 3g1h s LEU 21 CO 0.13 -1.25 1.67 0.23 0.23 0.00 0.00 176.35 177.36 3g1h n MET 22 N -0.85 4.17 -3.82 1.70 2.81 -1.26 -4.30 117.12 115.56 3g1h n MET 22 Ca 0.09 -3.00 -0.15 0.00 -1.81 0.00 0.00 57.70 52.84 3g1h n MET 22 Cb 0.47 -2.04 -0.16 0.00 -0.71 0.00 0.00 33.22 30.79 3g1h n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3g1h s ASN 23 N -0.91 0.10 0.21 7.83 2.20 -1.26 -4.72 114.94 118.39 3g1h s ASN 23 Ca 0.52 0.02 -0.21 0.00 -0.94 0.00 0.00 52.86 52.25 3g1h s ASN 23 Cb 0.36 -0.07 0.15 0.00 -2.00 0.00 0.00 41.25 39.69 3g1h s ASN 23 CO 0.21 -0.09 1.55 -0.09 -2.94 0.00 0.00 177.10 175.73 3g1h h ARG 24 N 7.02 -0.01 -0.26 3.55 2.43 -1.94 -1.93 114.38 123.24 3g1h h ARG 24 Ca -0.41 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.80 3g1h h ARG 24 Cb 1.14 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3g1h h ARG 24 CO 0.49 -0.01 0.05 -0.44 -1.51 0.00 0.00 179.97 178.54 3g1h h ASP 25 N -0.01 0.00 -0.52 -3.80 3.32 -1.99 -0.09 116.42 113.33 3g1h h ASP 25 Ca 0.29 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 3g1h h ASP 25 Cb 0.55 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3g1h h ASP 25 CO -0.96 0.04 -0.11 0.44 -1.72 0.00 0.00 179.24 176.92 3g1h h ASP 26 N 0.14 0.99 -0.21 6.45 3.32 -1.92 -1.45 116.42 123.74 3g1h h ASP 26 Ca 0.12 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 3g1h h ASP 26 Cb 0.12 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3g1h h ASP 26 CO -0.16 1.12 0.12 0.00 -1.72 0.00 0.00 179.24 178.60 3g1h h ALA 27 N 0.91 0.27 -0.56 3.45 0.00 -1.11 -0.99 119.26 121.23 3g1h h ALA 27 Ca 0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3g1h h ALA 27 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3g1h h ALA 27 CO 0.05 -0.21 0.04 -0.07 0.00 0.00 0.00 179.25 179.06 3g1h h LEU 28 N 0.24 0.89 0.49 0.00 3.38 -0.99 -1.36 115.31 117.95 3g1h h LEU 28 Ca 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3g1h h LEU 28 Cb 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3g1h h LEU 28 CO -0.01 0.93 -0.23 -0.09 0.09 0.00 0.00 178.44 179.12 3g1h h ARG 29 N 0.87 -0.63 -0.81 1.13 2.43 -1.03 -1.17 114.38 115.17 3g1h h ARG 29 Ca 0.17 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.43 3g1h h ARG 29 Cb 0.45 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 3g1h h ARG 29 CO 0.02 -0.33 0.51 0.28 -1.51 0.00 0.00 179.97 178.93 3g1h h VAL 30 N -0.89 1.07 -0.70 0.20 2.07 -1.19 -1.17 116.25 115.65 3g1h h VAL 30 Ca -0.07 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 3g1h h VAL 30 Cb 0.59 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3g1h h VAL 30 CO 0.11 0.17 0.22 0.74 0.02 0.00 0.00 177.57 178.83 3g1h h THR 31 N 0.96 1.25 -0.60 2.57 2.02 -1.23 -2.50 112.91 115.37 3g1h h THR 31 Ca 0.34 -0.87 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 3g1h h THR 31 Cb 0.10 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3g1h h THR 31 CO -0.15 0.34 0.14 1.23 0.37 0.00 0.00 175.52 177.46 3g1h h GLY 32 N 1.09 1.03 1.92 2.16 0.00 -0.49 -1.68 103.07 107.09 3g1h h GLY 32 Ca 0.23 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3g1h h GLY 32 CO -0.01 0.61 0.03 0.83 0.00 0.00 0.00 176.54 178.00 3g1h h GLU 33 N 0.87 0.11 -0.38 4.80 5.08 -0.81 -2.76 114.58 121.50 3g1h h GLU 33 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3g1h h GLU 33 Cb 0.36 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3g1h h GLU 33 CO 0.00 0.10 0.00 1.33 -1.00 0.00 0.00 179.01 179.44 3g1h n VAL 34 N -4.50 0.90 0.25 3.13 0.24 -1.04 -4.48 118.33 112.84 3g1h n VAL 34 Ca -0.02 -0.95 0.15 0.00 -2.04 0.00 0.00 64.34 61.49 3g1h n VAL 34 Cb 0.10 0.57 0.85 0.00 -1.47 0.00 0.00 33.84 33.90 3g1h n VAL 34 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3g1h h ARG 35 N 2.43 0.00 0.00 7.34 9.65 -1.00 -1.07 114.38 131.73 3g1h h ARG 35 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3g1h h ARG 35 Cb 0.75 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 3g1h h ARG 35 CO 0.00 0.00 0.00 1.05 2.80 0.00 0.00 179.97 183.82 3g1h h GLU 36 N 0.00 0.00 0.00 0.20 4.11 -1.81 -3.29 114.58 113.79 3g1h h GLU 36 Ca 0.04 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.12 3g1h h GLU 36 Cb 0.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 3g1h h GLU 36 CO -0.00 0.00 -2.34 0.66 0.07 0.00 0.00 179.01 177.40 3g1h n TYR 37 N -2.50 0.00 -4.46 2.06 4.02 -0.44 -5.00 117.16 110.83 3g1h n TYR 37 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.68 3g1h n TYR 37 Cb 0.35 -0.94 -0.13 0.00 -0.02 0.00 0.00 39.34 38.60 3g1h n TYR 37 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3g1h s ILE 38 N -2.47 1.60 0.00 -0.72 -5.25 -0.96 -4.58 121.20 108.82 3g1h s ILE 38 Ca -0.20 -1.31 0.00 0.00 -0.99 0.00 0.00 60.65 58.15 3g1h s ILE 38 Cb 0.07 -1.43 0.00 0.00 2.95 0.00 0.00 42.46 44.05 3g1h s ILE 38 CO 0.68 0.07 0.93 -0.90 -1.79 0.00 0.00 174.94 173.93 3g1h n ASP 39 N 1.55 1.75 -3.89 4.36 5.75 -1.26 -4.56 116.55 120.24 3g1h n ASP 39 Ca -0.18 -1.86 -0.22 0.00 -0.01 0.00 0.00 54.79 52.51 3g1h n ASP 39 Cb 0.54 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.46 3g1h n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g1h s THR 40 N -0.86 0.68 -0.05 2.12 2.01 -1.26 -1.02 115.64 117.25 3g1h s THR 40 Ca 0.00 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 61.90 3g1h s THR 40 Cb 0.00 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 3g1h s THR 40 CO 0.00 0.28 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.30 3g1h s VAL 41 N 1.21 1.79 -0.28 3.82 1.01 0.24 -2.45 120.40 125.75 3g1h s VAL 41 Ca -0.06 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 3g1h s VAL 41 Cb -0.14 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3g1h s VAL 41 CO -0.02 0.50 0.20 -0.75 0.00 0.00 0.00 175.10 175.04 3g1h s LYS 42 N -0.09 3.94 -0.13 2.72 2.20 0.13 -1.14 119.74 127.37 3g1h s LYS 42 Ca -0.03 -0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.27 3g1h s LYS 42 Cb -0.13 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 3g1h s LYS 42 CO 0.03 -0.19 -0.12 0.42 -0.36 0.00 0.00 175.35 175.13 3g1h s ILE 43 N 1.78 3.19 0.00 5.43 1.01 -0.02 -1.62 121.20 130.96 3g1h s ILE 43 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3g1h s ILE 43 Cb -0.16 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 39.96 3g1h s ILE 43 CO 0.11 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.18 3g1h n GLY 44 N 3.53 3.92 0.27 6.18 0.00 -1.26 -0.85 105.19 116.98 3g1h n GLY 44 Ca -0.18 -2.16 -0.03 0.00 0.00 0.00 0.00 46.02 43.65 3g1h n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g1h h TYR 45 N 0.56 0.67 -0.51 1.61 0.99 -1.97 -2.31 116.97 116.02 3g1h h TYR 45 Ca 0.00 -0.10 0.10 0.00 2.00 0.00 0.00 58.73 60.73 3g1h h TYR 45 Cb 0.00 -0.18 -0.10 0.00 1.00 0.00 0.00 36.73 37.45 3g1h h TYR 45 CO 0.00 0.68 -0.12 -1.35 -0.00 0.00 0.00 178.16 177.37 3g1h h PRO 46 N 0.58 0.00 -0.01 4.88 0.11 -1.95 0.28 132.00 135.90 3g1h h PRO 46 Ca 0.11 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 3g1h h PRO 46 Cb 0.48 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.59 3g1h h PRO 46 CO 0.03 0.00 -0.29 1.25 -0.21 0.00 0.00 178.00 178.78 3g1h h LEU 47 N 0.00 0.28 -0.72 2.35 5.85 -1.73 -3.06 115.31 118.28 3g1h h LEU 47 Ca 0.24 -0.75 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 3g1h h LEU 47 Cb 0.37 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3g1h h LEU 47 CO -0.52 0.99 0.35 0.58 -0.34 0.00 0.00 178.44 179.50 3g1h h VAL 48 N -0.40 1.23 -0.08 1.05 2.07 -1.19 0.16 116.25 119.09 3g1h h VAL 48 Ca -0.03 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 3g1h h VAL 48 Cb 1.02 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3g1h h VAL 48 CO 0.06 0.27 -0.48 -0.07 0.02 0.00 0.00 177.57 177.37 3g1h h LEU 49 N 1.01 0.23 0.20 2.57 3.38 -0.58 0.51 115.31 122.63 3g1h h LEU 49 Ca 0.25 -0.11 -0.31 0.00 0.09 0.00 0.00 57.88 57.80 3g1h h LEU 49 Cb 0.11 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 40.82 3g1h h LEU 49 CO -0.03 0.67 -1.41 0.28 0.09 0.00 0.00 178.44 178.04 3g1h h SER 50 N 0.17 0.67 -0.01 -0.43 0.02 -1.36 -3.38 113.55 109.23 3g1h h SER 50 Ca 0.01 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 3g1h h SER 50 Cb 0.91 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3g1h h SER 50 CO 0.07 1.58 -0.21 -0.62 -1.14 0.00 0.00 176.83 176.51 3g1h n GLU 51 N -3.63 2.36 0.00 3.45 -0.58 0.53 -5.02 120.64 117.75 3g1h n GLU 51 Ca -0.14 -0.51 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 3g1h n GLU 51 Cb 1.07 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 3g1h n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1h n GLY 52 N 0.88 0.71 0.27 0.62 0.00 0.18 -4.60 105.19 103.25 3g1h n GLY 52 Ca 0.03 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.49 3g1h n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g1h h MET 53 N 0.00 0.00 -0.01 1.61 2.86 -1.94 -2.53 114.93 114.93 3g1h h MET 53 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g1h h MET 53 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3g1h h MET 53 CO 0.00 0.08 0.03 -0.44 1.06 0.00 0.00 176.91 177.64 3g1h h ASP 54 N 0.00 0.00 -0.06 1.22 3.32 -1.92 -1.51 116.42 117.47 3g1h h ASP 54 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3g1h h ASP 54 Cb 0.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3g1h h ASP 54 CO 0.01 0.00 0.09 -0.29 -1.72 0.00 0.00 179.24 177.33 3g1h h ILE 55 N 0.00 0.41 0.03 0.35 6.09 -1.70 -1.86 117.51 120.83 3g1h h ILE 55 Ca 0.00 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3g1h h ILE 55 Cb 0.06 0.93 0.00 0.00 0.47 0.00 0.00 36.82 38.27 3g1h h ILE 55 CO -0.00 0.00 -0.02 0.40 -3.07 0.00 0.00 178.15 175.46 3g1h h ILE 56 N 0.00 1.30 -0.87 2.19 2.04 -1.51 -2.05 117.51 118.62 3g1h h ILE 56 Ca 0.03 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 3g1h h ILE 56 Cb 0.20 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 3g1h h ILE 56 CO -0.00 0.28 0.48 0.00 0.00 0.00 0.00 178.15 178.91 3g1h h ALA 57 N 0.40 1.11 -0.28 1.87 0.00 -1.49 -2.08 119.26 118.79 3g1h h ALA 57 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3g1h h ALA 57 Cb 0.50 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3g1h h ALA 57 CO 0.01 0.61 0.09 1.49 0.00 0.00 0.00 179.25 181.44 3g1h h GLU 58 N 1.21 0.39 -0.22 0.00 4.81 -1.35 -0.91 114.58 118.51 3g1h h GLU 58 Ca 0.31 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.28 3g1h h GLU 58 Cb 0.02 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3g1h h GLU 58 CO -0.05 0.35 -0.66 0.74 -0.73 0.00 0.00 179.01 178.66 3g1h h PHE 59 N 0.39 1.06 -0.55 0.92 -1.00 -0.71 -1.38 116.94 115.67 3g1h h PHE 59 Ca 0.10 -0.42 -0.04 0.00 2.81 0.00 0.00 57.97 60.41 3g1h h PHE 59 Cb 0.12 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 3g1h h PHE 59 CO 0.00 1.25 0.17 0.00 -1.61 0.00 0.00 178.31 178.12 3g1h h ARG 60 N 0.59 0.85 -0.02 1.51 3.08 -0.85 -0.45 114.38 119.09 3g1h h ARG 60 Ca -0.02 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3g1h h ARG 60 Cb 1.27 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 3g1h h ARG 60 CO 0.14 0.78 -0.02 0.87 -1.07 0.00 0.00 179.97 180.66 3g1h h LYS 61 N 0.76 0.06 -0.17 0.04 1.57 -1.20 0.50 116.57 118.13 3g1h h LYS 61 Ca 0.18 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3g1h h LYS 61 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3g1h h LYS 61 CO -0.01 0.51 -0.26 0.00 -0.57 0.00 0.00 179.45 179.12 3g1h h ARG 62 N -0.40 0.32 0.00 3.15 3.08 -1.24 -3.35 114.38 115.95 3g1h h ARG 62 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3g1h h ARG 62 Cb 0.50 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3g1h h ARG 62 CO 0.01 0.57 0.00 1.19 -1.07 0.00 0.00 179.97 180.66 3g1h n PHE 63 N -4.14 0.00 -3.88 3.04 3.01 -0.18 -5.02 117.46 110.29 3g1h n PHE 63 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.15 3g1h n PHE 63 Cb 0.38 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.87 3g1h n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g1h n GLY 64 N 0.45 -0.49 3.85 1.37 0.00 0.18 -4.96 105.19 105.58 3g1h n GLY 64 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3g1h n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h s ARG 66 N -3.91 4.31 -0.13 0.00 3.52 -0.19 -4.63 118.95 117.93 3g1h s ARG 66 Ca 0.35 1.07 0.03 0.00 -0.13 0.00 0.00 55.73 57.05 3g1h s ARG 66 Cb -0.08 -2.55 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 3g1h s ARG 66 CO 0.26 0.18 -0.22 0.42 -0.81 0.00 0.00 175.30 175.12 3g1h s ILE 67 N -1.85 2.07 -0.24 4.11 -1.09 -1.26 -0.59 121.20 122.35 3g1h s ILE 67 Ca 0.53 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.93 3g1h s ILE 67 Cb -0.14 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.93 3g1h s ILE 67 CO 0.19 0.55 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.80 3g1h s ILE 68 N 0.68 3.42 -0.52 2.92 1.01 -0.29 -1.14 121.20 127.28 3g1h s ILE 68 Ca -0.10 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 3g1h s ILE 68 Cb -0.16 -2.63 0.04 0.00 0.01 0.00 0.00 42.46 39.72 3g1h s ILE 68 CO 0.01 0.32 0.88 0.00 0.00 0.00 0.00 174.94 176.16 3g1h s ALA 69 N 1.46 3.21 -1.39 9.38 0.00 0.22 -0.84 121.76 133.80 3g1h s ALA 69 Ca 0.04 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 3g1h s ALA 69 Cb -0.15 -3.64 0.08 0.00 0.00 0.00 0.00 23.12 19.41 3g1h s ALA 69 CO -0.02 -2.23 2.06 -3.47 0.00 0.00 0.00 175.76 172.10 3g1h n ASP 70 N 7.18 4.36 -0.23 0.00 -0.08 -0.03 -1.67 116.55 126.08 3g1h n ASP 70 Ca 0.02 -2.93 0.12 0.00 -1.51 0.00 0.00 54.79 50.49 3g1h n ASP 70 Cb 0.48 -1.62 0.12 0.00 2.34 0.00 0.00 41.12 42.44 3g1h n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3g1h n PHE 71 N 5.71 0.00 -4.18 -0.67 0.99 -1.25 -4.29 117.46 113.77 3g1h n PHE 71 Ca 0.48 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.62 3g1h n PHE 71 Cb 0.39 -0.08 -0.06 0.00 -1.00 0.00 0.00 39.48 38.73 3g1h n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3g1h n LYS 72 N -0.79 -2.13 -1.61 -1.08 5.02 0.10 -4.73 118.16 112.94 3g1h n LYS 72 Ca 0.08 0.25 -0.57 0.00 -2.02 0.00 0.00 58.31 56.06 3g1h n LYS 72 Cb 0.38 -4.24 -0.07 0.00 -0.02 0.00 0.00 35.03 31.08 3g1h n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g1h n VAL 73 N -4.45 0.06 -2.71 -0.18 0.31 -1.01 -4.23 118.33 106.12 3g1h n VAL 73 Ca -0.23 -0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.00 3g1h n VAL 73 Cb 0.65 -0.63 0.07 0.00 -0.91 0.00 0.00 33.84 33.01 3g1h n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g1h n ALA 74 N 2.95 2.25 -3.69 3.52 0.00 -1.26 -0.72 120.51 123.56 3g1h n ALA 74 Ca 0.22 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.34 3g1h n ALA 74 Cb 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3g1h n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g1h n ASP 75 N -0.24 1.97 -4.83 0.00 -0.08 -1.26 -4.96 116.55 107.15 3g1h n ASP 75 Ca 0.05 -0.70 -0.31 0.00 -1.51 0.00 0.00 54.79 52.32 3g1h n ASP 75 Cb 0.82 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.33 3g1h n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3g1h s ILE 76 N -0.38 3.85 0.19 5.18 -4.36 -1.26 -4.76 121.20 119.66 3g1h s ILE 76 Ca 0.00 0.60 -0.19 0.00 -0.26 0.00 0.00 60.65 60.80 3g1h s ILE 76 Cb 0.00 -3.40 0.14 0.00 1.25 0.00 0.00 42.46 40.45 3g1h s ILE 76 CO 0.00 -0.78 1.60 -0.65 0.24 0.00 0.00 174.94 175.35 3g1h h PRO 77 N -0.75 -0.13 -0.57 0.37 0.11 -1.87 -0.62 132.00 128.55 3g1h h PRO 77 Ca -0.45 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.78 3g1h h PRO 77 Cb 1.22 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 3g1h h PRO 77 CO 0.59 -0.08 0.11 0.93 -0.21 0.00 0.00 178.00 179.33 3g1h h GLU 78 N -0.13 0.23 -0.12 1.05 3.07 -1.94 -1.83 114.58 114.91 3g1h h GLU 78 Ca 0.24 -0.01 -0.22 0.00 -0.50 0.00 0.00 59.36 58.87 3g1h h GLU 78 Cb 0.51 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3g1h h GLU 78 CO -0.62 0.15 -0.79 1.15 -1.40 0.00 0.00 179.01 177.50 3g1h h THR 79 N 0.24 1.30 -0.94 1.13 2.02 -1.83 -3.12 112.91 111.72 3g1h h THR 79 Ca 0.29 -2.04 0.10 0.00 0.77 0.00 0.00 66.41 65.53 3g1h h THR 79 Cb 0.43 2.05 -0.07 0.00 -1.74 0.00 0.00 68.15 68.82 3g1h h THR 79 CO -0.39 0.64 0.60 0.78 0.37 0.00 0.00 175.52 177.52 3g1h h ASN 80 N 0.46 0.87 -0.23 4.18 4.21 -0.70 -0.60 115.58 123.78 3g1h h ASN 80 Ca -0.05 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 3g1h h ASN 80 Cb 1.41 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.45 3g1h h ASN 80 CO 0.16 0.51 0.11 -0.33 -1.29 0.00 0.00 177.43 176.58 3g1h h GLU 81 N 0.96 0.33 -0.88 0.81 5.08 -1.29 -0.65 114.58 118.93 3g1h h GLU 81 Ca 0.44 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 3g1h h GLU 81 Cb 0.38 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3g1h h GLU 81 CO -0.19 0.34 0.51 0.87 -1.00 0.00 0.00 179.01 179.53 3g1h h LYS 82 N 0.23 1.21 -0.27 2.33 1.57 -1.35 0.25 116.57 120.55 3g1h h LYS 82 Ca 0.08 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3g1h h LYS 82 Cb 0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3g1h h LYS 82 CO -0.01 0.87 0.04 0.82 -0.57 0.00 0.00 179.45 180.59 3g1h h ILE 83 N 1.22 1.24 -0.56 1.86 2.04 -0.84 -1.68 117.51 120.80 3g1h h ILE 83 Ca 0.31 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 3g1h h ILE 83 Cb -0.02 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3g1h h ILE 83 CO -0.06 0.26 0.09 0.00 0.00 0.00 0.00 178.15 178.45 3g1h h ARG 85 N 0.81 0.56 -0.52 0.00 2.43 -0.87 -0.11 114.38 116.68 3g1h h ARG 85 Ca 0.17 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3g1h h ARG 85 Cb 0.41 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3g1h h ARG 85 CO 0.01 0.49 0.04 0.00 -1.51 0.00 0.00 179.97 179.00 3g1h h ALA 86 N 1.04 1.09 -0.40 2.80 0.00 -1.22 0.19 119.26 122.76 3g1h h ALA 86 Ca 0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3g1h h ALA 86 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3g1h h ALA 86 CO -0.02 0.58 0.04 1.15 0.00 0.00 0.00 179.25 181.01 3g1h h THR 87 N 0.80 1.25 -0.22 0.00 2.02 -0.88 -0.94 112.91 114.93 3g1h h THR 87 Ca 0.16 -0.93 -0.16 0.00 0.77 0.00 0.00 66.41 66.25 3g1h h THR 87 Cb 0.43 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3g1h h THR 87 CO 0.02 0.32 -0.50 -0.26 0.37 0.00 0.00 175.52 175.46 3g1h h PHE 88 N 0.52 0.94 -0.59 3.16 0.04 -0.88 -2.53 116.94 117.60 3g1h h PHE 88 Ca 0.12 -0.35 0.12 0.00 2.80 0.00 0.00 57.97 60.66 3g1h h PHE 88 Cb 0.41 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3g1h h PHE 88 CO 0.03 1.15 0.40 -0.22 -0.60 0.00 0.00 178.31 179.07 3g1h h LYS 89 N 0.46 0.29 0.00 1.51 3.64 -0.54 0.89 116.57 122.81 3g1h h LYS 89 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3g1h h LYS 89 Cb 1.12 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3g1h h LYS 89 CO 0.11 0.19 0.00 0.00 -2.27 0.00 0.00 179.45 177.48 3g1h n ALA 90 N -2.55 2.39 -0.22 5.00 0.00 -0.37 -4.89 120.51 119.87 3g1h n ALA 90 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3g1h n ALA 90 Cb 0.45 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3g1h n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1h n GLY 91 N 0.75 0.89 3.77 0.00 0.00 0.31 -3.76 105.19 107.14 3g1h n GLY 91 Ca 0.16 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3g1h n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h s ALA 92 N -2.00 3.31 0.07 4.61 0.00 -0.98 -4.86 121.76 121.91 3g1h s ALA 92 Ca 0.00 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.02 3g1h s ALA 92 Cb 0.00 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.48 3g1h s ALA 92 CO 0.00 -0.47 1.10 -0.44 0.00 0.00 0.00 175.76 175.95 3g1h h ASP 93 N 3.12 0.18 -5.13 0.00 3.32 -1.48 -3.42 116.42 113.01 3g1h h ASP 93 Ca -0.48 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.27 3g1h h ASP 93 Cb 1.23 -0.06 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 3g1h h ASP 93 CO 0.64 1.18 -0.30 0.00 -1.72 0.00 0.00 179.24 179.04 3g1h s ALA 94 N -2.67 -0.40 -0.01 3.45 0.00 -1.00 -2.01 121.76 119.12 3g1h s ALA 94 Ca -0.03 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.48 3g1h s ALA 94 Cb 0.08 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 3g1h s ALA 94 CO 0.84 -0.54 -0.06 -1.50 0.00 0.00 0.00 175.76 174.50 3g1h s ILE 95 N -3.81 0.51 -0.13 0.00 2.07 -0.81 -0.61 121.20 118.43 3g1h s ILE 95 Ca 0.04 -0.26 -0.18 0.00 -1.41 0.00 0.00 60.65 58.85 3g1h s ILE 95 Cb 0.04 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.14 3g1h s ILE 95 CO -0.11 0.15 0.46 -0.63 -1.91 0.00 0.00 174.94 172.90 3g1h s ILE 96 N -0.02 5.20 0.03 2.00 1.01 -0.67 -1.13 121.20 127.62 3g1h s ILE 96 Ca 0.01 0.91 0.08 0.00 0.00 0.00 0.00 60.65 61.65 3g1h s ILE 96 Cb -0.04 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 3g1h s ILE 96 CO -0.00 0.33 -0.25 -0.69 0.00 0.00 0.00 174.94 174.33 3g1h s VAL 97 N 0.65 2.00 0.31 2.92 1.01 0.17 -0.72 120.40 126.73 3g1h s VAL 97 Ca 0.25 -1.27 -0.25 0.00 0.00 0.00 0.00 61.98 60.70 3g1h s VAL 97 Cb -0.15 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.44 3g1h s VAL 97 CO 0.10 0.37 0.92 -1.00 0.00 0.00 0.00 175.10 175.49 3g1h s HIS 98 N -0.75 3.69 -0.13 5.22 3.76 0.11 -0.61 115.29 126.58 3g1h s HIS 98 Ca 0.10 1.74 0.18 0.00 -0.15 0.00 0.00 55.06 56.93 3g1h s HIS 98 Cb -0.10 -2.89 -0.22 0.00 1.11 0.00 0.00 32.58 30.49 3g1h s HIS 98 CO 0.01 0.23 0.49 0.41 -0.85 0.00 0.00 174.74 175.03 3g1h n GLY 99 N 0.60 -1.08 0.33 -2.22 0.00 -1.19 -4.44 105.19 97.19 3g1h n GLY 99 Ca 0.01 -0.27 0.20 0.00 0.00 0.00 0.00 46.02 45.96 3g1h n GLY 99 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g1h h PHE 100 N 0.00 0.85 0.00 1.61 3.57 -1.93 -0.61 116.94 120.44 3g1h h PHE 100 Ca -0.27 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3g1h h PHE 100 Cb 1.72 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.24 3g1h h PHE 100 CO 0.00 -0.11 0.00 -2.30 -2.23 0.00 0.00 178.31 173.67 3g1h n PRO 101 N -5.03 0.11 0.00 6.41 -0.02 -1.26 -4.97 135.00 130.24 3g1h n PRO 101 Ca 0.28 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3g1h n PRO 101 Cb 0.86 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 3g1h n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1h n GLY 102 N -0.53 1.85 0.24 -1.23 0.00 -0.24 -4.66 105.19 100.61 3g1h n GLY 102 Ca 0.04 -2.10 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 3g1h n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h h ALA 103 N 0.00 0.63 -0.71 4.61 0.00 -1.93 -2.77 119.26 119.09 3g1h h ALA 103 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3g1h h ALA 103 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3g1h h ALA 103 CO 0.00 0.36 0.33 0.38 0.00 0.00 0.00 179.25 180.31 3g1h h ASP 104 N 0.65 0.93 -0.32 0.00 2.03 -1.98 0.49 116.42 118.23 3g1h h ASP 104 Ca 0.14 -0.11 -0.08 0.00 -0.73 0.00 0.00 57.03 56.25 3g1h h ASP 104 Cb 0.39 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 3g1h h ASP 104 CO 0.01 0.80 -0.08 0.28 -1.03 0.00 0.00 179.24 179.22 3g1h h SER 105 N 1.02 0.70 -0.12 4.15 0.02 -1.80 -2.19 113.55 115.33 3g1h h SER 105 Ca 0.25 -0.19 -0.19 0.00 -0.84 0.00 0.00 61.79 60.81 3g1h h SER 105 Cb 0.13 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.49 3g1h h SER 105 CO -0.03 0.82 -0.67 0.58 -1.14 0.00 0.00 176.83 176.39 3g1h h VAL 106 N 0.66 1.32 -0.95 2.27 2.07 -1.14 -3.26 116.25 117.21 3g1h h VAL 106 Ca 0.12 -1.93 0.06 0.00 0.82 0.00 0.00 66.70 65.77 3g1h h VAL 106 Cb 0.53 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 3g1h h VAL 106 CO 0.03 0.60 0.62 -0.09 0.02 0.00 0.00 177.57 178.75 3g1h h ARG 107 N 0.33 1.08 -0.57 1.57 2.43 -0.75 -0.63 114.38 117.84 3g1h h ARG 107 Ca -0.05 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3g1h h ARG 107 Cb 1.31 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 3g1h h ARG 107 CO 0.14 0.72 0.30 0.00 -1.51 0.00 0.00 179.97 179.61 3g1h h ALA 108 N 1.48 1.45 -0.14 2.80 0.00 -1.45 0.18 119.26 123.58 3g1h h ALA 108 Ca 0.41 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 3g1h h ALA 108 Cb 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3g1h h ALA 108 CO -0.15 0.45 -0.33 0.00 0.00 0.00 0.00 179.25 179.21 3g1h h LEU 110 N 0.10 1.01 -0.21 0.00 3.38 -0.56 -1.01 115.31 118.01 3g1h h LEU 110 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g1h h LEU 110 Cb 0.94 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3g1h h LEU 110 CO 0.07 0.67 0.13 0.78 0.09 0.00 0.00 178.44 180.18 3g1h h ASN 111 N 1.16 0.26 -0.58 -0.43 2.35 -0.65 -0.88 115.58 116.81 3g1h h ASN 111 Ca 0.39 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 56.01 3g1h h ASN 111 Cb 0.08 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3g1h h ASN 111 CO -0.15 0.23 0.02 0.58 -1.65 0.00 0.00 177.43 176.46 3g1h h VAL 112 N 0.26 1.26 -0.43 2.81 2.07 -1.39 0.80 116.25 121.63 3g1h h VAL 112 Ca 0.08 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3g1h h VAL 112 Cb 0.02 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3g1h h VAL 112 CO -0.01 0.41 0.22 0.00 0.02 0.00 0.00 177.57 178.20 3g1h h ALA 113 N 1.06 0.55 -0.52 1.67 0.00 -0.95 -1.23 119.26 119.82 3g1h h ALA 113 Ca 0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3g1h h ALA 113 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3g1h h ALA 113 CO 0.03 0.09 0.14 1.49 0.00 0.00 0.00 179.25 180.99 3g1h h GLU 114 N 0.55 0.83 0.00 0.00 4.81 -1.00 0.42 114.58 120.19 3g1h h GLU 114 Ca 0.15 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3g1h h GLU 114 Cb 0.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3g1h h GLU 114 CO -0.02 0.79 -0.19 1.49 -0.73 0.00 0.00 179.01 180.35 3g1h h GLU 115 N 0.73 0.00 -0.02 1.92 4.81 -0.63 -3.14 114.58 118.26 3g1h h GLU 115 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3g1h h GLU 115 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3g1h h GLU 115 CO 0.00 0.19 -0.04 -1.33 -0.73 0.00 0.00 179.01 177.10 3g1h n MET 116 N -4.18 1.07 -2.82 1.92 2.81 -0.48 -5.01 117.12 110.43 3g1h n MET 116 Ca -0.02 -1.23 -0.09 0.00 -1.81 0.00 0.00 57.70 54.54 3g1h n MET 116 Cb 0.26 -1.25 0.03 0.00 -0.71 0.00 0.00 33.22 31.55 3g1h n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g1h n GLY 117 N 0.82 0.24 3.16 3.03 0.00 0.11 -5.05 105.19 107.50 3g1h n GLY 117 Ca 0.08 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 3g1h n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g1h n ARG 118 N -2.35 0.74 -4.31 1.61 5.12 0.70 -5.02 116.66 113.14 3g1h n ARG 118 Ca -0.04 -3.24 -0.28 0.00 -1.93 0.00 0.00 57.85 52.36 3g1h n ARG 118 Cb 0.54 1.34 -0.10 0.00 -1.16 0.00 0.00 32.46 33.08 3g1h n ARG 118 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3g1h s GLU 119 N -3.53 1.89 -0.06 5.56 0.41 -0.85 -4.40 118.70 117.72 3g1h s GLU 119 Ca 0.10 -1.26 0.06 0.00 -0.41 0.00 0.00 54.97 53.46 3g1h s GLU 119 Cb 0.01 -2.11 -0.01 0.00 -1.78 0.00 0.00 34.13 30.24 3g1h s GLU 119 CO 0.07 0.45 -0.23 0.08 -0.49 0.00 0.00 175.26 175.14 3g1h s VAL 120 N -1.48 1.93 -0.15 2.63 1.01 -1.26 -1.92 120.40 121.16 3g1h s VAL 120 Ca 0.22 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 3g1h s VAL 120 Cb -0.09 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3g1h s VAL 120 CO 0.13 0.54 -0.10 -0.36 0.00 0.00 0.00 175.10 175.31 3g1h s PHE 121 N -0.06 2.89 -0.26 5.22 0.40 -0.28 -4.14 117.98 121.75 3g1h s PHE 121 Ca -0.05 -0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 55.58 3g1h s PHE 121 Cb -0.14 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 3g1h s PHE 121 CO 0.04 -0.19 0.28 -1.17 0.70 0.00 0.00 175.22 174.88 3g1h s LEU 122 N 0.45 4.06 -0.41 -0.37 2.96 0.04 -0.66 118.68 124.74 3g1h s LEU 122 Ca -0.07 0.18 -0.25 0.00 -0.22 0.00 0.00 54.13 53.77 3g1h s LEU 122 Cb -0.15 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.28 3g1h s LEU 122 CO 0.04 -0.09 0.89 -0.22 -1.32 0.00 0.00 176.35 175.65 3g1h s LEU 123 N 1.72 4.05 -0.20 -0.68 2.96 0.22 -1.09 118.68 125.66 3g1h s LEU 123 Ca 0.12 0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 54.20 3g1h s LEU 123 Cb -0.15 -3.17 -0.20 0.00 0.50 0.00 0.00 46.19 43.17 3g1h s LEU 123 CO 0.09 -0.91 0.10 0.35 -1.32 0.00 0.00 176.35 174.66 3g1h n THR 124 N 6.13 1.61 -4.18 3.68 -2.24 -1.06 -3.16 114.28 115.05 3g1h n THR 124 Ca 0.06 -0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.31 3g1h n THR 124 Cb 0.48 -1.83 -0.15 0.00 -2.10 0.00 0.00 70.33 66.73 3g1h n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3g1h s GLU 125 N -2.47 0.49 0.39 -0.78 2.12 -1.26 -4.45 118.70 112.74 3g1h s GLU 125 Ca -0.29 -0.19 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 3g1h s GLU 125 Cb 0.08 -0.48 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 3g1h s GLU 125 CO 0.63 0.11 0.62 -1.64 -0.54 0.00 0.00 175.26 174.44 3g1h s MET 126 N -0.04 3.43 0.02 4.30 -1.94 -1.26 -3.63 119.30 120.19 3g1h s MET 126 Ca 0.01 -0.24 0.24 0.00 -1.71 0.00 0.00 55.69 53.98 3g1h s MET 126 Cb -0.03 -2.58 0.21 0.00 2.01 0.00 0.00 34.83 34.43 3g1h s MET 126 CO -0.00 0.01 1.19 -1.13 -0.01 0.00 0.00 175.02 175.07 3g1h n SER 127 N -1.93 0.64 -4.89 3.03 3.41 -1.26 -4.72 113.62 107.90 3g1h n SER 127 Ca -0.03 -0.35 -0.29 0.00 -0.26 0.00 0.00 58.87 57.94 3g1h n SER 127 Cb 0.56 0.56 0.03 0.00 -0.26 0.00 0.00 64.21 65.10 3g1h n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3g1h s HIS 128 N -3.08 3.41 0.17 7.33 -3.43 -1.26 -4.75 115.29 113.68 3g1h s HIS 128 Ca 0.08 0.99 -0.16 0.00 -0.80 0.00 0.00 55.06 55.17 3g1h s HIS 128 Cb 0.16 -2.82 0.11 0.00 -1.43 0.00 0.00 32.58 28.60 3g1h s HIS 128 CO 0.77 -0.87 1.70 -1.35 -2.00 0.00 0.00 174.74 172.99 3g1h h PRO 129 N -0.36 0.12 0.00 -0.38 0.11 -2.01 -1.74 132.00 127.75 3g1h h PRO 129 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g1h h PRO 129 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3g1h h PRO 129 CO 0.62 0.08 0.21 0.78 -0.21 0.00 0.00 178.00 179.49 3g1h h GLY 130 N 0.13 0.00 2.00 -0.55 0.00 -1.98 -1.83 103.07 100.84 3g1h h GLY 130 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3g1h h GLY 130 CO -0.31 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.23 3g1h n ALA 131 N -1.76 1.14 0.11 3.60 0.00 -0.65 -1.90 120.51 121.05 3g1h n ALA 131 Ca -0.02 0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.61 3g1h n ALA 131 Cb 0.25 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 3g1h n ALA 131 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3g1h h GLU 132 N 0.00 0.00 0.03 0.00 5.08 -1.53 0.20 114.58 118.36 3g1h h GLU 132 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g1h h GLU 132 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3g1h h GLU 132 CO 0.00 0.55 -0.03 0.52 -1.00 0.00 0.00 179.01 179.04 3g1h h MET 133 N 0.00 -0.07 0.00 2.33 2.86 -1.60 -3.41 114.93 115.03 3g1h h MET 133 Ca -0.03 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3g1h h MET 133 Cb 1.47 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.15 3g1h h MET 133 CO 0.07 -0.05 -0.39 1.19 1.06 0.00 0.00 176.91 178.80 3g1h n PHE 134 N -5.13 0.00 0.06 -0.22 3.01 -1.26 -4.87 117.46 109.05 3g1h n PHE 134 Ca -0.07 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.26 3g1h n PHE 134 Cb 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.45 3g1h n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3g1h h ILE 135 N 0.00 1.03 -0.96 4.37 2.04 -1.77 -3.28 117.51 118.95 3g1h h ILE 135 Ca 0.00 -0.86 0.18 0.00 1.00 0.00 0.00 64.86 65.19 3g1h h ILE 135 Cb 0.39 1.55 -0.11 0.00 -0.74 0.00 0.00 36.82 37.91 3g1h h ILE 135 CO 0.00 0.20 0.55 -0.61 0.00 0.00 0.00 178.15 178.29 3g1h h GLN 136 N -0.60 0.67 0.00 2.37 4.15 -1.19 -0.19 115.11 120.33 3g1h h GLN 136 Ca -0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3g1h h GLN 136 Cb 0.46 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3g1h h GLN 136 CO 0.03 0.45 0.00 0.78 -1.93 0.00 0.00 178.83 178.16 3g1h h GLY 137 N 0.70 0.00 -0.23 2.39 0.00 -1.81 -2.80 103.07 101.31 3g1h h GLY 137 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3g1h h GLY 137 CO -0.39 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 175.74 3g1h n ALA 138 N -2.04 3.25 -0.19 3.60 0.00 -0.36 -4.76 120.51 120.01 3g1h n ALA 138 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.04 3g1h n ALA 138 Cb 0.24 -0.41 0.05 0.00 0.00 0.00 0.00 19.45 19.32 3g1h n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1h h ALA 139 N 1.79 0.35 -0.51 0.00 0.00 -0.81 0.50 119.26 120.58 3g1h h ALA 139 Ca 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3g1h h ALA 139 Cb 0.32 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3g1h h ALA 139 CO 0.00 -0.45 0.14 -0.44 0.00 0.00 0.00 179.25 178.50 3g1h h ASP 140 N -0.02 0.76 -0.56 0.00 3.32 -1.86 -0.24 116.42 117.83 3g1h h ASP 140 Ca 0.27 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3g1h h ASP 140 Cb 0.43 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3g1h h ASP 140 CO -0.59 0.78 0.09 -0.08 -1.72 0.00 0.00 179.24 177.73 3g1h h GLU 141 N 0.70 0.96 -0.45 3.56 4.81 -1.73 0.17 114.58 122.60 3g1h h GLU 141 Ca 0.16 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 3g1h h GLU 141 Cb 0.31 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3g1h h GLU 141 CO -0.00 0.89 0.06 0.82 -0.73 0.00 0.00 179.01 180.05 3g1h h ILE 142 N 0.91 1.25 -0.43 2.32 2.04 -0.67 0.43 117.51 123.36 3g1h h ILE 142 Ca 0.18 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3g1h h ILE 142 Cb 0.40 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3g1h h ILE 142 CO 0.01 0.32 0.22 0.00 0.00 0.00 0.00 178.15 178.70 3g1h h ALA 143 N 0.94 0.55 -0.84 1.87 0.00 -0.71 -0.88 119.26 120.20 3g1h h ALA 143 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3g1h h ALA 143 Cb 0.40 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3g1h h ALA 143 CO 0.01 0.10 0.53 0.00 0.00 0.00 0.00 179.25 179.89 3g1h h ARG 144 N 0.56 1.12 -0.79 0.00 3.08 -0.77 -1.32 114.38 116.26 3g1h h ARG 144 Ca 0.15 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3g1h h ARG 144 Cb 0.09 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 3g1h h ARG 144 CO -0.02 0.77 0.50 1.98 -1.07 0.00 0.00 179.97 182.13 3g1h h MET 145 N 1.15 0.95 -0.38 0.04 4.05 -0.35 -0.29 114.93 120.11 3g1h h MET 145 Ca 0.31 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 3g1h h MET 145 Cb -0.09 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.47 3g1h h MET 145 CO -0.06 0.63 0.25 0.78 0.23 0.00 0.00 176.91 178.74 3g1h h GLY 146 N 0.98 0.53 0.86 1.39 0.00 -0.36 0.64 103.07 107.11 3g1h h GLY 146 Ca 0.32 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.46 3g1h h GLY 146 CO -0.11 0.19 -0.03 -2.08 0.00 0.00 0.00 176.54 174.51 3g1h h VAL 147 N 0.51 0.91 -0.77 4.60 2.07 -0.74 0.16 116.25 122.98 3g1h h VAL 147 Ca 0.14 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 3g1h h VAL 147 Cb -0.06 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3g1h h VAL 147 CO -0.03 0.00 0.51 0.44 0.02 0.00 0.00 177.57 178.51 3g1h h ASP 148 N -0.03 0.76 0.96 0.57 3.32 -0.58 -0.21 116.42 121.21 3g1h h ASP 148 Ca 0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3g1h h ASP 148 Cb 0.07 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3g1h h ASP 148 CO -0.07 0.51 0.00 0.18 -1.72 0.00 0.00 179.24 178.14 3g1h n LEU 149 N -4.47 0.42 0.00 1.55 4.77 0.17 -4.88 117.00 114.56 3g1h n LEU 149 Ca 0.11 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 3g1h n LEU 149 Cb 0.18 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3g1h n LEU 149 CO 0.34 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 3g1h n GLY 150 N 0.71 0.86 3.73 -0.72 0.00 -0.09 -5.05 105.19 104.63 3g1h n GLY 150 Ca 0.04 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3g1h n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1h s VAL 151 N -2.00 3.26 -0.48 1.61 1.01 0.45 -4.93 120.40 119.33 3g1h s VAL 151 Ca 0.00 0.97 0.12 0.00 0.00 0.00 0.00 61.98 63.06 3g1h s VAL 151 Cb 0.00 -3.62 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 3g1h s VAL 151 CO 0.00 0.11 0.46 0.29 0.00 0.00 0.00 175.10 175.96 3g1h n LYS 152 N 3.32 2.83 -5.17 2.72 5.02 -1.26 -4.52 118.16 121.10 3g1h n LYS 152 Ca 0.09 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 3g1h n LYS 152 Cb 0.43 -1.07 -0.17 0.00 -0.02 0.00 0.00 35.03 34.19 3g1h n LYS 152 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3g1h s ASN 153 N -2.25 2.97 0.18 4.39 0.01 -1.26 -0.32 114.94 118.66 3g1h s ASN 153 Ca 0.03 -0.53 0.03 0.00 -0.71 0.00 0.00 52.86 51.68 3g1h s ASN 153 Cb 0.09 -1.31 -0.05 0.00 0.41 0.00 0.00 41.25 40.39 3g1h s ASN 153 CO 0.48 0.16 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.88 3g1h s TYR 154 N 0.32 1.30 -0.08 2.20 1.51 0.57 -0.78 117.35 122.40 3g1h s TYR 154 Ca -0.17 -0.90 0.02 0.00 -1.01 0.00 0.00 57.07 55.00 3g1h s TYR 154 Cb -0.17 -0.72 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 3g1h s TYR 154 CO 0.08 -0.07 -0.12 0.08 -1.11 0.00 0.00 175.55 174.41 3g1h s VAL 155 N -3.48 1.18 0.19 0.71 1.01 -0.25 -1.34 120.40 118.42 3g1h s VAL 155 Ca 0.22 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3g1h s VAL 155 Cb 0.05 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 3g1h s VAL 155 CO 0.04 0.37 -0.06 -0.83 0.00 0.00 0.00 175.10 174.62 3g1h s GLY 156 N 0.89 1.34 -0.16 4.51 0.00 -0.66 -2.57 107.32 110.68 3g1h s GLY 156 Ca -0.10 -1.64 -0.29 0.00 0.00 0.00 0.00 44.72 42.69 3g1h s GLY 156 CO 0.01 -1.65 1.28 2.56 0.00 0.00 0.00 173.10 175.30 3g1h s PRO 157 N -3.79 4.23 0.23 2.90 0.04 -1.24 -3.33 135.00 134.04 3g1h s PRO 157 Ca 0.23 1.68 0.05 0.00 0.04 0.00 0.00 61.00 63.00 3g1h s PRO 157 Cb 0.04 -3.77 0.24 0.00 0.04 0.00 0.00 34.50 31.04 3g1h s PRO 157 CO 0.05 -0.71 1.55 1.03 0.04 0.00 0.00 177.00 178.96 3g1h h SER 158 N 8.26 0.24 0.24 6.66 0.87 -1.38 -3.03 113.55 125.42 3g1h h SER 158 Ca -0.27 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 3g1h h SER 158 Cb 1.11 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3g1h h SER 158 CO 0.97 0.80 0.00 0.35 -0.53 0.00 0.00 176.83 178.42 3g1h n THR 159 N -3.85 1.03 -3.49 2.23 -2.24 -1.26 -3.72 114.28 102.98 3g1h n THR 159 Ca -0.02 0.55 -0.27 0.00 -2.27 0.00 0.00 64.05 62.04 3g1h n THR 159 Cb 0.63 -1.52 -0.10 0.00 -2.10 0.00 0.00 70.33 67.24 3g1h n THR 159 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g1h n ARG 160 N -2.19 1.18 -0.31 -0.78 1.74 -1.14 -4.98 116.66 110.18 3g1h n ARG 160 Ca -0.00 -3.82 0.16 0.00 -0.77 0.00 0.00 57.85 53.42 3g1h n ARG 160 Cb 0.10 -1.85 0.34 0.00 -1.02 0.00 0.00 32.46 30.03 3g1h n ARG 160 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3g1h h PRO 161 N 4.95 0.24 -0.50 5.56 0.11 -1.76 0.11 132.00 140.70 3g1h h PRO 161 Ca 0.18 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 3g1h h PRO 161 Cb 0.81 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 3g1h h PRO 161 CO 0.57 0.16 0.02 1.05 -0.21 0.00 0.00 178.00 179.59 3g1h h GLU 162 N 0.24 0.87 -0.19 1.05 9.09 -1.94 -0.41 114.58 123.30 3g1h h GLU 162 Ca 0.60 -0.27 -0.09 0.00 0.05 0.00 0.00 59.36 59.65 3g1h h GLU 162 Cb 1.25 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 3g1h h GLU 162 CO -0.64 0.90 -0.28 0.00 0.05 0.00 0.00 179.01 179.03 3g1h h ARG 163 N 0.74 0.37 -0.22 1.06 2.47 -1.46 -2.07 114.38 115.27 3g1h h ARG 163 Ca 0.15 -0.14 -0.14 0.00 -1.26 0.00 0.00 59.98 58.59 3g1h h ARG 163 Cb 0.49 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 3g1h h ARG 163 CO 0.02 0.62 -0.44 1.25 0.56 0.00 0.00 179.97 181.99 3g1h h LEU 164 N 0.33 0.59 -0.50 3.04 5.85 -0.67 -2.39 115.31 121.55 3g1h h LEU 164 Ca 0.05 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 3g1h h LEU 164 Cb 0.67 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3g1h h LEU 164 CO 0.05 0.95 0.05 -1.28 -0.34 0.00 0.00 178.44 177.87 3g1h h SER 165 N 0.44 0.83 -0.52 1.25 0.87 -0.71 -2.43 113.55 113.28 3g1h h SER 165 Ca 0.03 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 3g1h h SER 165 Cb 0.95 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 3g1h h SER 165 CO 0.08 0.90 0.26 -0.09 -0.53 0.00 0.00 176.83 177.45 3g1h h ARG 166 N 0.73 0.74 -0.37 2.24 9.65 -1.22 -2.76 114.38 123.40 3g1h h ARG 166 Ca 0.15 -0.11 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 3g1h h ARG 166 Cb 0.45 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 3g1h h ARG 166 CO 0.02 0.61 0.23 -0.07 2.80 0.00 0.00 179.97 183.56 3g1h h LEU 167 N 0.69 0.40 -1.16 3.80 3.38 -1.29 -2.48 115.31 118.65 3g1h h LEU 167 Ca 0.18 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.24 3g1h h LEU 167 Cb 0.11 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3g1h h LEU 167 CO -0.02 0.29 0.59 -0.09 0.09 0.00 0.00 178.44 179.30 3g1h h ARG 168 N 0.48 0.89 0.00 1.13 9.65 -1.26 -0.59 114.38 124.68 3g1h h ARG 168 Ca 0.14 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3g1h h ARG 168 Cb -0.04 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.34 3g1h h ARG 168 CO -0.04 0.59 0.00 1.05 2.80 0.00 0.00 179.97 184.37 3g1h h GLU 169 N 0.92 0.00 0.24 0.20 4.11 -1.17 -0.38 114.58 118.50 3g1h h GLU 169 Ca 0.43 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.53 3g1h h GLU 169 Cb 0.41 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.69 3g1h h GLU 169 CO -0.19 0.00 -1.47 0.82 0.07 0.00 0.00 179.01 178.24 3g1h h ILE 170 N 0.00 1.30 0.00 -1.06 2.04 -0.79 -3.33 117.51 115.66 3g1h h ILE 170 Ca 0.00 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.12 3g1h h ILE 170 Cb 0.83 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 3g1h h ILE 170 CO 0.00 0.82 -0.68 0.16 0.00 0.00 0.00 178.15 178.46 3g1h h ILE 171 N 0.14 0.00 0.00 -0.67 3.07 -1.11 -3.47 117.51 115.46 3g1h h ILE 171 Ca -0.25 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.64 3g1h h ILE 171 Cb 2.15 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.78 3g1h h ILE 171 CO 0.26 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.97 3g1h n GLY 172 N 1.33 -0.53 0.13 0.16 0.00 -0.16 -4.23 105.19 101.88 3g1h n GLY 172 Ca 0.03 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.40 3g1h n GLY 172 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g1h h GLN 173 N 0.00 0.00 -0.00 1.61 1.08 -1.94 -3.29 115.11 112.57 3g1h h GLN 173 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3g1h h GLN 173 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3g1h h GLN 173 CO 0.00 0.00 -0.12 -0.40 -0.95 0.00 0.00 178.83 177.36 3g1h n ASP 174 N -2.61 0.13 -4.87 1.46 5.75 -1.26 -4.85 116.55 110.31 3g1h n ASP 174 Ca 0.02 0.28 -0.32 0.00 -0.01 0.00 0.00 54.79 54.76 3g1h n ASP 174 Cb 0.51 -0.31 -0.06 0.00 -1.03 0.00 0.00 41.12 40.23 3g1h n ASP 174 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3g1h s SER 175 N -2.97 6.67 -0.19 -1.12 0.01 -1.24 -5.04 113.70 109.82 3g1h s SER 175 Ca 0.14 1.03 -0.14 0.00 1.31 0.00 0.00 55.95 58.30 3g1h s SER 175 Cb 0.19 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 3g1h s SER 175 CO 0.56 -0.12 0.31 0.12 0.41 0.00 0.00 173.24 174.53 3g1h s PHE 176 N -1.88 3.40 -0.08 2.43 5.36 0.56 -4.99 117.98 122.79 3g1h s PHE 176 Ca 0.50 0.54 0.03 0.00 -0.96 0.00 0.00 56.93 57.04 3g1h s PHE 176 Cb -0.11 -2.41 0.01 0.00 -0.34 0.00 0.00 43.02 40.17 3g1h s PHE 176 CO 0.20 0.11 -0.16 -1.17 -1.46 0.00 0.00 175.22 172.74 3g1h s LEU 177 N 0.91 1.79 0.09 6.12 2.96 -1.26 -0.31 118.68 128.97 3g1h s LEU 177 Ca 0.16 -0.38 0.09 0.00 -0.22 0.00 0.00 54.13 53.78 3g1h s LEU 177 Cb -0.14 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 3g1h s LEU 177 CO 0.06 0.07 -0.24 0.27 -1.32 0.00 0.00 176.35 175.19 3g1h s ILE 178 N 0.57 2.00 -0.06 6.68 -4.36 -0.45 -0.16 121.20 125.42 3g1h s ILE 178 Ca -0.16 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 3g1h s ILE 178 Cb -0.16 -1.75 0.02 0.00 1.25 0.00 0.00 42.46 41.82 3g1h s ILE 178 CO 0.05 0.15 -0.04 -0.55 0.24 0.00 0.00 174.94 174.80 3g1h s SER 179 N -1.64 1.27 0.45 4.36 0.15 -0.60 -1.65 113.70 116.05 3g1h s SER 179 Ca 0.11 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.67 3g1h s SER 179 Cb -0.10 -0.50 0.01 0.00 -1.71 0.00 0.00 66.02 63.73 3g1h s SER 179 CO 0.04 -0.09 0.62 -2.16 1.20 0.00 0.00 173.24 172.85 3g1h s PRO 180 N 1.27 2.78 0.00 5.44 0.04 -1.21 -0.69 135.00 142.62 3g1h s PRO 180 Ca -0.05 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 59.92 3g1h s PRO 180 Cb -0.14 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3g1h s PRO 180 CO -0.02 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.06 3g1h n GLY 181 N -1.98 1.07 3.70 0.56 0.00 -1.26 -1.01 105.19 106.26 3g1h n GLY 181 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3g1h n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1h s VAL 182 N -2.00 5.04 0.00 1.61 1.01 -1.26 -0.27 120.40 124.53 3g1h s VAL 182 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3g1h s VAL 182 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3g1h s VAL 182 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.91 3g1h n GLY 183 N 3.33 1.12 0.41 4.51 0.00 -0.71 -4.52 105.19 109.32 3g1h n GLY 183 Ca -0.01 -0.72 0.23 0.00 0.00 0.00 0.00 46.02 45.51 3g1h n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h h ALA 184 N 0.00 2.22 -0.00 4.61 0.00 -1.91 0.37 119.26 124.55 3g1h h ALA 184 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3g1h h ALA 184 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3g1h h ALA 184 CO 0.00 -0.63 -0.29 1.04 0.00 0.00 0.00 179.25 179.37 3g1h n GLN 185 N -4.63 0.58 0.00 0.00 6.02 -1.26 -4.95 117.38 113.14 3g1h n GLN 185 Ca 0.25 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 3g1h n GLN 185 Cb 0.88 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.64 3g1h n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g1h n GLY 186 N 1.38 0.96 3.81 1.08 0.00 0.13 -4.94 105.19 107.61 3g1h n GLY 186 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3g1h n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g1h s GLY 187 N -1.86 2.59 -0.16 -0.02 0.00 0.62 -4.77 107.32 103.72 3g1h s GLY 187 Ca 0.00 0.25 -0.15 0.00 0.00 0.00 0.00 44.72 44.82 3g1h s GLY 187 CO 0.00 0.59 0.36 -0.35 0.00 0.00 0.00 173.10 173.71 3g1h s ASP 188 N -1.81 6.49 0.11 1.64 2.15 -1.26 -1.74 116.67 122.25 3g1h s ASP 188 Ca 0.49 0.58 -0.33 0.00 0.43 0.00 0.00 52.55 53.71 3g1h s ASP 188 Cb -0.15 -2.22 -0.12 0.00 -0.30 0.00 0.00 42.92 40.13 3g1h s ASP 188 CO 0.20 0.03 1.57 -0.65 -0.17 0.00 0.00 175.17 176.15 3g1h h PRO 189 N 6.89 -0.71 -0.19 4.34 0.11 -1.96 -1.97 132.00 138.49 3g1h h PRO 189 Ca -0.40 0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.81 3g1h h PRO 189 Cb 1.17 0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.39 3g1h h PRO 189 CO 0.75 -0.47 -0.12 0.78 -0.21 0.00 0.00 178.00 178.72 3g1h h GLY 190 N -0.74 0.03 1.02 -0.55 0.00 -1.95 -1.67 103.07 99.20 3g1h h GLY 190 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3g1h h GLY 190 CO -0.23 -0.14 0.59 0.83 0.00 0.00 0.00 176.54 177.59 3g1h h GLU 191 N -0.12 1.29 -0.55 4.80 4.39 -1.98 -2.67 114.58 119.74 3g1h h GLU 191 Ca 0.11 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3g1h h GLU 191 Cb 0.29 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3g1h h GLU 191 CO -0.27 0.88 0.19 1.15 -1.16 0.00 0.00 179.01 179.80 3g1h h THR 192 N 1.31 1.23 0.00 1.13 2.02 -1.02 -2.72 112.91 114.87 3g1h h THR 192 Ca 0.34 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3g1h h THR 192 Cb -0.08 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3g1h h THR 192 CO -0.07 0.29 0.00 0.18 0.37 0.00 0.00 175.52 176.29 3g1h n LEU 193 N -4.46 0.00 0.11 2.58 4.77 -0.66 -1.23 117.00 118.11 3g1h n LEU 193 Ca 0.03 0.10 -0.04 0.00 -0.03 0.00 0.00 56.01 56.07 3g1h n LEU 193 Cb 0.19 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.27 3g1h n LEU 193 CO 0.39 -0.06 0.40 0.03 -1.33 0.00 0.00 177.39 176.83 3g1h h ARG 194 N 0.00 0.07 0.00 3.23 3.08 -1.40 -3.38 114.38 115.97 3g1h h ARG 194 Ca 0.00 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 3g1h h ARG 194 Cb 0.05 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3g1h h ARG 194 CO 0.00 0.75 -1.69 1.19 -1.07 0.00 0.00 179.97 179.15 3g1h n PHE 195 N -3.73 0.00 -3.03 3.04 3.01 -0.87 -5.03 117.46 110.85 3g1h n PHE 195 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.11 3g1h n PHE 195 Cb 0.69 -0.46 -0.06 0.00 -0.01 0.00 0.00 39.48 39.64 3g1h n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g1h s ALA 196 N -2.24 3.27 0.10 4.37 0.00 -0.36 -4.89 121.76 122.01 3g1h s ALA 196 Ca -0.17 0.19 0.12 0.00 0.00 0.00 0.00 51.96 52.11 3g1h s ALA 196 Cb 0.05 -2.90 0.19 0.00 0.00 0.00 0.00 23.12 20.45 3g1h s ALA 196 CO 0.27 0.27 1.50 -0.44 0.00 0.00 0.00 175.76 177.36 3g1h h ASP 197 N 2.56 0.00 -5.00 0.00 3.32 -0.87 -3.40 116.42 113.03 3g1h h ASP 197 Ca -0.48 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 3g1h h ASP 197 Cb 1.18 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.54 3g1h h ASP 197 CO 0.64 0.66 0.06 0.00 -1.72 0.00 0.00 179.24 178.88 3g1h s ALA 198 N -3.18 -1.48 0.15 3.45 0.00 -1.16 -4.67 121.76 114.88 3g1h s ALA 198 Ca 0.01 0.98 0.05 0.00 0.00 0.00 0.00 51.96 52.99 3g1h s ALA 198 Cb 0.10 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3g1h s ALA 198 CO 0.76 -0.37 0.13 0.96 0.00 0.00 0.00 175.76 177.24 3g1h s ILE 199 N -1.44 4.53 -0.17 0.00 -4.36 0.23 -1.55 121.20 118.43 3g1h s ILE 199 Ca -0.11 -1.01 -0.03 0.00 -0.26 0.00 0.00 60.65 59.24 3g1h s ILE 199 Cb -0.01 -3.29 -0.02 0.00 1.25 0.00 0.00 42.46 40.38 3g1h s ILE 199 CO 0.07 -0.07 -0.05 -0.63 0.24 0.00 0.00 174.94 174.50 3g1h s ILE 200 N -1.69 3.68 -0.09 8.37 1.01 0.13 -0.24 121.20 132.38 3g1h s ILE 200 Ca 0.31 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3g1h s ILE 200 Cb -0.10 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.76 3g1h s ILE 200 CO 0.23 0.48 -0.08 -0.69 0.00 0.00 0.00 174.94 174.88 3g1h s VAL 201 N 0.64 0.94 0.00 2.92 1.01 -0.26 -4.03 120.40 121.61 3g1h s VAL 201 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3g1h s VAL 201 Cb -0.15 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3g1h s VAL 201 CO 0.02 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.07 3g1h n GLY 202 N 4.60 0.22 0.29 4.51 0.00 -1.26 -1.36 105.19 112.18 3g1h n GLY 202 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.95 3g1h n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g1h h ARG 203 N 0.00 0.24 -0.33 1.61 3.08 -1.93 0.27 114.38 117.32 3g1h h ARG 203 Ca 0.00 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.13 3g1h h ARG 203 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3g1h h ARG 203 CO 0.00 0.16 0.60 0.77 -1.07 0.00 0.00 179.97 180.44 3g1h h SER 204 N 0.25 0.00 0.00 7.04 0.02 -1.90 -1.62 113.55 117.34 3g1h h SER 204 Ca 0.47 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.26 3g1h h SER 204 Cb 0.85 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 3g1h h SER 204 CO -0.57 0.00 -1.34 -0.38 -1.14 0.00 0.00 176.83 173.40 3g1h n ILE 205 N -3.23 0.91 0.61 3.27 5.41 -0.03 -4.46 119.36 121.84 3g1h n ILE 205 Ca 0.06 -0.04 0.11 0.00 1.00 0.00 0.00 62.75 63.88 3g1h n ILE 205 Cb 0.74 -1.76 0.45 0.00 -0.71 0.00 0.00 39.64 38.36 3g1h n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g1h n TYR 206 N -3.69 0.41 0.80 1.39 0.18 -0.53 -2.39 117.16 113.33 3g1h n TYR 206 Ca -0.20 0.14 0.09 0.00 1.88 0.00 0.00 57.90 59.82 3g1h n TYR 206 Cb 0.55 -0.73 0.06 0.00 -0.38 0.00 0.00 39.34 38.83 3g1h n TYR 206 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3g1h n LEU 207 N -1.86 2.37 -4.78 -3.48 4.77 -0.62 -4.98 117.00 108.43 3g1h n LEU 207 Ca 0.04 -0.94 -0.36 0.00 -0.03 0.00 0.00 56.01 54.72 3g1h n LEU 207 Cb 0.28 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3g1h n LEU 207 CO 0.22 0.42 0.75 0.00 -1.33 0.00 0.00 177.39 177.45 3g1h s ALA 208 N -1.71 3.06 0.53 -1.18 0.00 -1.01 -4.91 121.76 116.54 3g1h s ALA 208 Ca 0.20 0.74 0.21 0.00 0.00 0.00 0.00 51.96 53.11 3g1h s ALA 208 Cb 0.16 -3.29 1.36 0.00 0.00 0.00 0.00 23.12 21.34 3g1h s ALA 208 CO 0.29 -0.30 2.08 -0.44 0.00 0.00 0.00 175.76 177.40 3g1h h ASP 209 N 2.38 0.00 -2.90 0.00 3.45 -1.93 -3.32 116.42 114.09 3g1h h ASP 209 Ca -0.49 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.41 3g1h h ASP 209 Cb 1.22 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.59 3g1h h ASP 209 CO 0.62 0.00 -0.79 0.21 -1.57 0.00 0.00 179.24 177.71 3g1h s ASN 210 N -6.62 3.48 0.12 6.45 2.47 -1.26 -5.04 114.94 114.55 3g1h s ASN 210 Ca -0.05 -1.81 -0.27 0.00 0.42 0.00 0.00 52.86 51.15 3g1h s ASN 210 Cb 0.18 -0.56 -0.06 0.00 -1.45 0.00 0.00 41.25 39.36 3g1h s ASN 210 CO 0.69 -0.37 1.62 -0.65 -3.72 0.00 0.00 177.10 174.66 3g1h h PRO 211 N 7.70 -0.45 -0.84 0.43 0.11 -1.72 -1.93 132.00 135.29 3g1h h PRO 211 Ca -0.08 0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.25 3g1h h PRO 211 Cb 0.99 0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.09 3g1h h PRO 211 CO 0.40 -0.30 0.34 0.00 -0.21 0.00 0.00 178.00 178.23 3g1h h ALA 212 N 0.27 1.28 0.14 -0.75 0.00 -1.90 -0.70 119.26 117.61 3g1h h ALA 212 Ca 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3g1h h ALA 212 Cb 0.54 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3g1h h ALA 212 CO -0.24 -0.29 -0.07 0.00 0.00 0.00 0.00 179.25 178.65 3g1h h ALA 213 N 1.66 -0.19 -0.78 0.00 0.00 -1.85 -1.50 119.26 116.60 3g1h h ALA 213 Ca 0.50 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.39 3g1h h ALA 213 Cb 0.89 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 3g1h h ALA 213 CO -0.49 -0.46 0.35 0.00 0.00 0.00 0.00 179.25 178.64 3g1h h ALA 214 N 0.31 1.12 -0.42 0.00 0.00 -0.55 0.19 119.26 119.92 3g1h h ALA 214 Ca -0.02 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3g1h h ALA 214 Cb 0.38 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3g1h h ALA 214 CO 0.03 -0.16 -0.11 0.00 0.00 0.00 0.00 179.25 179.01 3g1h h ALA 215 N 1.54 0.58 -0.53 0.00 0.00 -1.11 -2.03 119.26 117.70 3g1h h ALA 215 Ca 0.42 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3g1h h ALA 215 Cb 0.61 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3g1h h ALA 215 CO -0.38 0.46 0.20 0.00 0.00 0.00 0.00 179.25 179.53 3g1h h ALA 216 N 0.85 0.69 -0.48 0.00 0.00 -0.16 -2.20 119.26 117.97 3g1h h ALA 216 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3g1h h ALA 216 Cb 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3g1h h ALA 216 CO 0.04 0.32 0.24 0.78 0.00 0.00 0.00 179.25 180.63 3g1h h GLY 217 N 0.72 0.73 0.97 0.00 0.00 -0.57 -1.01 103.07 103.92 3g1h h GLY 217 Ca 0.17 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3g1h h GLY 217 CO -0.01 0.34 0.35 -2.22 0.00 0.00 0.00 176.54 174.99 3g1h h ILE 218 N 0.63 1.12 -0.90 2.60 2.04 -1.23 -1.47 117.51 120.29 3g1h h ILE 218 Ca 0.17 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3g1h h ILE 218 Cb 0.10 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3g1h h ILE 218 CO -0.02 0.13 0.54 0.40 0.00 0.00 0.00 178.15 179.20 3g1h h ILE 219 N 0.70 1.25 0.18 -0.67 2.04 -1.09 -2.95 117.51 116.97 3g1h h ILE 219 Ca 0.20 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3g1h h ILE 219 Cb -0.06 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 3g1h h ILE 219 CO -0.06 0.26 -0.09 -0.33 0.00 0.00 0.00 178.15 177.94 3g1h h GLU 220 N 1.24 -0.24 0.00 2.37 4.39 -0.42 0.53 114.58 122.45 3g1h h GLU 220 Ca 0.32 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3g1h h GLU 220 Cb -0.05 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3g1h h GLU 220 CO -0.06 -0.09 0.00 -1.13 -1.16 0.00 0.00 179.01 176.57 3g1h n SER 221 N -5.16 0.00 0.00 1.42 3.41 -0.63 -1.68 113.62 110.98 3g1h n SER 221 Ca -0.09 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 3g1h n SER 221 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3g1h n SER 221 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3g1h n ILE 222 N -0.84 0.00 0.12 -1.33 5.41 -0.75 -4.67 119.36 117.30 3g1h n ILE 222 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.85 3g1h n ILE 222 Cb 0.02 0.13 0.30 0.00 -0.71 0.00 0.00 39.64 39.38 3g1h n ILE 222 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3g1h n LYS 223 N -1.28 0.07 0.00 0.38 5.02 0.18 -2.47 118.16 120.07 3g1h n LYS 223 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 3g1h n LYS 223 Cb 0.09 -1.94 0.01 0.00 -0.02 0.00 0.00 35.03 33.16 3g1h n LYS 223 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3g1h n ASP 224 N -1.90 0.00 -0.15 4.39 8.00 -1.26 -5.10 116.55 120.53 3g1h n ASP 224 Ca -0.01 -0.01 0.02 0.00 0.71 0.00 0.00 54.79 55.50 3g1h n ASP 224 Cb 0.21 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.33 3g1h n ASP 224 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99