#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1a s ASP 10 N 0.00 6.40 -0.29 6.12 3.68 -1.26 -5.03 116.67 126.29 3g1a s ASP 10 Ca 0.00 -1.99 -0.20 0.00 2.13 0.00 0.00 52.55 52.49 3g1a s ASP 10 Cb 0.00 -2.25 -0.01 0.00 -1.45 0.00 0.00 42.92 39.20 3g1a s ASP 10 CO 0.00 -0.86 0.60 -0.69 0.13 0.00 0.00 175.17 174.35 3g1a s VAL 11 N 1.56 4.98 0.19 1.11 1.01 -1.26 -5.00 120.40 122.98 3g1a s VAL 11 Ca 0.13 0.87 -0.33 0.00 0.00 0.00 0.00 61.98 62.65 3g1a s VAL 11 Cb -0.20 -3.95 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 3g1a s VAL 11 CO -0.01 -0.07 1.65 0.80 0.00 0.00 0.00 175.10 177.47 3g1a n MET 12 N 5.77 2.48 -1.31 2.72 1.56 -1.26 -1.62 117.12 125.46 3g1a n MET 12 Ca -0.02 0.89 -0.11 0.00 -0.27 0.00 0.00 57.70 58.19 3g1a n MET 12 Cb 0.49 -2.70 -0.05 0.00 2.15 0.00 0.00 33.22 33.11 3g1a n MET 12 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3g1a n ASN 13 N 3.70 -5.51 -2.50 6.12 5.03 -1.26 -2.38 115.26 118.45 3g1a n ASN 13 Ca 0.16 0.28 -0.13 0.00 0.87 0.00 0.00 54.58 55.76 3g1a n ASN 13 Cb 0.32 -4.11 -0.01 0.00 -1.02 0.00 0.00 39.78 34.96 3g1a n ASN 13 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3g1a n ARG 14 N -0.86 -2.34 -3.98 3.52 1.74 -0.64 -4.93 116.66 109.16 3g1a n ARG 14 Ca -0.11 0.58 -0.30 0.00 -0.77 0.00 0.00 57.85 57.26 3g1a n ARG 14 Cb 0.58 -5.19 -0.16 0.00 -1.02 0.00 0.00 32.46 26.67 3g1a n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3g1a s LEU 15 N -5.67 1.76 -0.21 0.55 2.96 -1.00 -1.18 118.68 115.90 3g1a s LEU 15 Ca 0.03 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.30 3g1a s LEU 15 Cb -0.01 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 3g1a s LEU 15 CO 0.03 -0.10 0.01 -0.63 -1.32 0.00 0.00 176.35 174.35 3g1a s ILE 16 N 1.51 4.02 -0.16 6.68 1.01 0.29 -4.67 121.20 129.88 3g1a s ILE 16 Ca 0.03 -0.28 -0.27 0.00 0.00 0.00 0.00 60.65 60.13 3g1a s ILE 16 Cb -0.14 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 3g1a s ILE 16 CO -0.09 0.41 0.90 -0.22 0.00 0.00 0.00 174.94 175.94 3g1a s LEU 17 N 1.13 4.18 -0.70 2.97 2.96 -1.09 -0.90 118.68 127.23 3g1a s LEU 17 Ca 0.03 1.29 -0.20 0.00 -0.22 0.00 0.00 54.13 55.02 3g1a s LEU 17 Cb -0.14 -3.35 0.10 0.00 0.50 0.00 0.00 46.19 43.29 3g1a s LEU 17 CO 0.02 -0.45 0.90 0.00 -1.32 0.00 0.00 176.35 175.49 3g1a s ALA 18 N 2.28 3.32 -1.06 5.97 0.00 0.06 -0.14 121.76 132.18 3g1a s ALA 18 Ca 0.41 -2.25 -0.19 0.00 0.00 0.00 0.00 51.96 49.94 3g1a s ALA 18 Cb -0.17 -3.77 0.11 0.00 0.00 0.00 0.00 23.12 19.30 3g1a s ALA 18 CO 0.13 -2.65 1.36 1.41 0.00 0.00 0.00 175.76 176.01 3g1a s MET 19 N 3.10 3.76 -0.20 0.00 1.75 -0.54 -4.38 119.30 122.79 3g1a s MET 19 Ca 0.20 -1.83 0.15 0.00 -1.25 0.00 0.00 55.69 52.97 3g1a s MET 19 Cb -0.17 -5.14 0.70 0.00 2.84 0.00 0.00 34.83 33.06 3g1a s MET 19 CO 0.04 -1.94 1.61 -0.25 -0.65 0.00 0.00 175.02 173.83 3g1a n ASP 20 N 7.16 4.93 -4.78 1.11 8.00 -1.26 -4.42 116.55 127.29 3g1a n ASP 20 Ca 0.32 -2.91 -0.34 0.00 0.71 0.00 0.00 54.79 52.58 3g1a n ASP 20 Cb 0.48 -0.62 -0.00 0.00 -0.02 0.00 0.00 41.12 40.96 3g1a n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g1a s LEU 21 N -2.68 3.71 -0.13 0.64 1.43 -1.26 -4.65 118.68 115.75 3g1a s LEU 21 Ca 0.49 2.07 0.15 0.00 -1.03 0.00 0.00 54.13 55.81 3g1a s LEU 21 Cb 0.38 -4.57 0.52 0.00 0.03 0.00 0.00 46.19 42.55 3g1a s LEU 21 CO 0.14 -1.15 1.43 0.23 0.23 0.00 0.00 176.35 177.23 3g1a n MET 22 N -1.40 3.18 -4.70 1.70 2.81 -1.26 -4.05 117.12 113.40 3g1a n MET 22 Ca 0.11 -2.68 -0.31 0.00 -1.81 0.00 0.00 57.70 53.01 3g1a n MET 22 Cb 0.52 -1.75 -0.17 0.00 -0.71 0.00 0.00 33.22 31.11 3g1a n MET 22 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3g1a s ASN 23 N -1.49 2.79 0.17 7.83 2.47 -1.26 -4.72 114.94 120.73 3g1a s ASN 23 Ca 0.40 -0.52 -0.15 0.00 0.42 0.00 0.00 52.86 53.01 3g1a s ASN 23 Cb 0.29 -1.28 0.14 0.00 -1.45 0.00 0.00 41.25 38.95 3g1a s ASN 23 CO 0.13 0.07 1.71 -0.09 -3.72 0.00 0.00 177.10 175.20 3g1a h ARG 24 N 7.21 0.16 -0.10 0.43 2.43 -1.94 0.27 114.38 122.84 3g1a h ARG 24 Ca -0.29 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3g1a h ARG 24 Cb 1.19 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3g1a h ARG 24 CO 0.51 0.11 0.03 -0.44 -1.51 0.00 0.00 179.97 178.67 3g1a h ASP 25 N 0.17 0.03 -0.50 -3.80 3.32 -1.99 -1.16 116.42 112.48 3g1a h ASP 25 Ca 0.21 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 3g1a h ASP 25 Cb 0.29 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3g1a h ASP 25 CO -0.32 0.04 0.05 0.44 -1.72 0.00 0.00 179.24 177.73 3g1a h ASP 26 N 0.08 0.82 -0.41 6.45 3.32 -1.93 -0.57 116.42 124.19 3g1a h ASP 26 Ca 0.04 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.82 3g1a h ASP 26 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3g1a h ASP 26 CO -0.05 0.89 0.26 0.00 -1.72 0.00 0.00 179.24 178.63 3g1a h ALA 27 N 0.96 0.52 -0.42 3.45 0.00 -0.80 0.03 119.26 123.00 3g1a h ALA 27 Ca 0.15 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3g1a h ALA 27 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3g1a h ALA 27 CO 0.02 -0.04 -0.21 -0.07 0.00 0.00 0.00 179.25 178.95 3g1a h LEU 28 N 0.54 0.91 -0.01 0.00 3.38 -1.13 -1.70 115.31 117.30 3g1a h LEU 28 Ca 0.15 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3g1a h LEU 28 Cb -0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3g1a h LEU 28 CO -0.04 1.11 0.00 -0.09 0.09 0.00 0.00 178.44 179.51 3g1a h ARG 29 N 0.70 0.01 -0.46 1.13 2.43 -0.87 -1.22 114.38 116.10 3g1a h ARG 29 Ca 0.09 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3g1a h ARG 29 Cb 0.77 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3g1a h ARG 29 CO 0.06 0.21 0.15 0.28 -1.51 0.00 0.00 179.97 179.16 3g1a h VAL 30 N -0.19 1.22 -0.70 0.20 2.07 -1.02 -1.50 116.25 116.33 3g1a h VAL 30 Ca 0.00 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3g1a h VAL 30 Cb 0.20 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3g1a h VAL 30 CO -0.00 0.27 0.42 0.74 0.02 0.00 0.00 177.57 179.02 3g1a h THR 31 N 0.61 1.20 -0.46 2.57 2.02 -1.29 -2.05 112.91 115.52 3g1a h THR 31 Ca 0.15 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3g1a h THR 31 Cb 0.26 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3g1a h THR 31 CO -0.01 0.21 0.18 1.23 0.37 0.00 0.00 175.52 177.50 3g1a h GLY 32 N 0.96 0.70 2.00 2.16 0.00 -0.95 -0.77 103.07 107.17 3g1a h GLY 32 Ca 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3g1a h GLY 32 CO -0.05 0.33 -0.06 0.83 0.00 0.00 0.00 176.54 177.59 3g1a h GLU 33 N 0.65 0.00 -0.08 4.80 5.08 -0.55 -3.01 114.58 121.48 3g1a h GLU 33 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3g1a h GLU 33 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3g1a h GLU 33 CO -0.01 0.06 0.00 1.33 -1.00 0.00 0.00 179.01 179.39 3g1a n VAL 34 N -3.25 1.02 0.04 3.13 0.24 -0.84 -4.48 118.33 114.19 3g1a n VAL 34 Ca -0.01 -1.03 0.15 0.00 -2.04 0.00 0.00 64.34 61.41 3g1a n VAL 34 Cb 0.27 0.48 0.62 0.00 -1.47 0.00 0.00 33.84 33.74 3g1a n VAL 34 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3g1a h ARG 35 N 0.44 0.13 0.00 7.34 0.11 -1.02 -0.92 114.38 120.46 3g1a h ARG 35 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3g1a h ARG 35 Cb 0.56 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.61 3g1a h ARG 35 CO 0.00 0.08 0.00 1.05 0.10 0.00 0.00 179.97 181.21 3g1a h GLU 36 N 0.13 0.00 0.00 0.08 4.11 -1.85 -3.02 114.58 114.03 3g1a h GLU 36 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3g1a h GLU 36 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3g1a h GLU 36 CO -0.02 0.00 -1.47 0.66 0.07 0.00 0.00 179.01 178.24 3g1a n TYR 37 N -2.41 0.00 -4.22 2.06 4.01 -0.36 -5.01 117.16 111.23 3g1a n TYR 37 Ca 0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 3g1a n TYR 37 Cb 0.26 -0.24 -0.10 0.00 -0.31 0.00 0.00 39.34 38.94 3g1a n TYR 37 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 3g1a s ILE 38 N -3.25 0.37 0.00 -0.72 -4.36 -1.14 -4.55 121.20 107.54 3g1a s ILE 38 Ca 0.00 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 3g1a s ILE 38 Cb 0.15 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.60 3g1a s ILE 38 CO 0.89 -0.30 0.48 -0.90 0.24 0.00 0.00 174.94 175.36 3g1a n ASP 39 N -0.25 0.00 -3.70 4.36 5.75 -1.26 -4.80 116.55 116.65 3g1a n ASP 39 Ca -0.03 -1.22 -0.18 0.00 -0.01 0.00 0.00 54.79 53.35 3g1a n ASP 39 Cb 0.64 -0.04 -0.17 0.00 -1.03 0.00 0.00 41.12 40.52 3g1a n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g1a s THR 40 N 0.00 -0.10 -0.06 2.12 2.01 -1.26 -1.07 115.64 117.29 3g1a s THR 40 Ca 0.00 0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.40 3g1a s THR 40 Cb 0.00 -0.13 -0.00 0.00 0.01 0.00 0.00 72.50 72.38 3g1a s THR 40 CO 0.00 0.15 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.20 3g1a s VAL 41 N 1.82 1.61 -0.30 3.82 1.01 -0.44 -2.66 120.40 125.26 3g1a s VAL 41 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 3g1a s VAL 41 Cb -0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3g1a s VAL 41 CO -0.03 0.46 0.31 -0.75 0.00 0.00 0.00 175.10 175.09 3g1a s LYS 42 N 0.18 3.84 -0.13 2.72 2.20 0.81 -1.51 119.74 127.84 3g1a s LYS 42 Ca -0.09 -0.23 -0.02 0.00 -0.36 0.00 0.00 55.97 55.28 3g1a s LYS 42 Cb -0.14 -3.71 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 3g1a s LYS 42 CO 0.04 -0.33 -0.06 0.42 -0.36 0.00 0.00 175.35 175.06 3g1a s ILE 43 N 1.95 3.69 0.00 5.43 1.01 -0.17 -1.47 121.20 131.64 3g1a s ILE 43 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3g1a s ILE 43 Cb -0.16 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.73 3g1a s ILE 43 CO 0.11 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.18 3g1a n GLY 44 N 3.24 4.53 0.20 6.18 0.00 -1.26 -0.84 105.19 117.24 3g1a n GLY 44 Ca -0.18 -2.19 0.04 0.00 0.00 0.00 0.00 46.02 43.69 3g1a n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g1a h TYR 45 N 0.91 0.00 -0.50 1.61 0.05 -1.97 -2.23 116.97 114.84 3g1a h TYR 45 Ca 0.00 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 3g1a h TYR 45 Cb 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 3g1a h TYR 45 CO 0.00 0.30 0.15 -1.35 -1.05 0.00 0.00 178.16 176.21 3g1a h PRO 46 N 0.00 0.30 0.10 4.88 0.11 -1.93 0.15 132.00 135.60 3g1a h PRO 46 Ca -0.00 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 3g1a h PRO 46 Cb 0.54 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 31.60 3g1a h PRO 46 CO 0.04 0.20 -0.74 1.25 -0.21 0.00 0.00 178.00 178.54 3g1a h LEU 47 N 0.30 0.48 -0.68 2.35 5.85 -1.68 -3.15 115.31 118.78 3g1a h LEU 47 Ca 0.24 -0.90 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 3g1a h LEU 47 Cb 0.29 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3g1a h LEU 47 CO -0.28 1.33 0.35 0.58 -0.34 0.00 0.00 178.44 180.08 3g1a h VAL 48 N -0.30 1.22 0.00 1.05 2.07 -1.26 0.46 116.25 119.48 3g1a h VAL 48 Ca -0.12 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3g1a h VAL 48 Cb 1.53 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3g1a h VAL 48 CO 0.14 0.25 0.00 -0.07 0.02 0.00 0.00 177.57 177.91 3g1a h LEU 49 N 0.94 0.00 0.05 2.57 3.38 -0.84 0.32 115.31 121.72 3g1a h LEU 49 Ca 0.24 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.88 3g1a h LEU 49 Cb 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3g1a h LEU 49 CO -0.03 0.00 -1.87 -1.20 0.09 0.00 0.00 178.44 175.43 3g1a n SER 50 N -2.97 1.32 -0.00 -0.43 7.64 -0.97 -4.61 113.62 113.60 3g1a n SER 50 Ca 0.02 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.21 3g1a n SER 50 Cb 0.37 -0.32 -0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3g1a n SER 50 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3g1a n GLU 51 N -3.20 5.36 0.00 1.43 -0.58 0.11 -5.00 120.64 118.77 3g1a n GLU 51 Ca -0.24 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 3g1a n GLU 51 Cb 1.05 -0.62 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 3g1a n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1a n GLY 52 N 0.83 1.22 0.17 0.62 0.00 0.11 -4.66 105.19 103.48 3g1a n GLY 52 Ca 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.39 3g1a n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g1a h MET 53 N 0.00 0.00 0.00 1.61 2.86 -1.94 -2.63 114.93 114.83 3g1a h MET 53 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g1a h MET 53 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3g1a h MET 53 CO 0.00 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.72 3g1a n ASP 54 N -2.40 0.26 0.22 1.22 8.00 -1.26 -2.36 116.55 120.23 3g1a n ASP 54 Ca 0.01 0.58 0.06 0.00 0.71 0.00 0.00 54.79 56.14 3g1a n ASP 54 Cb 0.18 -0.63 0.50 0.00 -0.02 0.00 0.00 41.12 41.15 3g1a n ASP 54 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3g1a h ILE 55 N 0.00 1.09 -0.17 0.53 6.09 -1.74 -2.50 117.51 120.81 3g1a h ILE 55 Ca 0.00 -0.77 -0.01 0.00 -1.37 0.00 0.00 64.86 62.71 3g1a h ILE 55 Cb 0.23 1.42 -0.01 0.00 0.47 0.00 0.00 36.82 38.94 3g1a h ILE 55 CO 0.00 0.22 0.07 0.40 -3.07 0.00 0.00 178.15 175.76 3g1a h ILE 56 N 0.00 1.16 -0.55 2.19 2.04 -1.72 -1.24 117.51 119.39 3g1a h ILE 56 Ca -0.00 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 3g1a h ILE 56 Cb 0.41 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3g1a h ILE 56 CO 0.03 0.15 0.11 0.00 0.00 0.00 0.00 178.15 178.44 3g1a h ALA 57 N 0.91 1.16 -0.92 1.87 0.00 -1.62 -2.22 119.26 118.44 3g1a h ALA 57 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3g1a h ALA 57 Cb 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3g1a h ALA 57 CO -0.00 0.56 0.56 1.49 0.00 0.00 0.00 179.25 181.86 3g1a h GLU 58 N 0.82 1.24 -0.42 0.00 4.57 -1.08 -0.06 114.58 119.65 3g1a h GLU 58 Ca 0.17 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 3g1a h GLU 58 Cb 0.34 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3g1a h GLU 58 CO 0.00 0.86 -0.02 0.74 -1.18 0.00 0.00 179.01 179.42 3g1a h PHE 59 N 1.26 0.83 -0.28 0.92 -1.00 -0.73 -1.17 116.94 116.76 3g1a h PHE 59 Ca 0.33 -0.15 -0.07 0.00 2.81 0.00 0.00 57.97 60.89 3g1a h PHE 59 Cb -0.06 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.27 3g1a h PHE 59 CO 0.00 0.83 -0.12 0.00 -1.61 0.00 0.00 178.31 177.41 3g1a h ARG 60 N 0.58 0.48 -0.28 1.51 3.08 -0.98 0.24 114.38 119.01 3g1a h ARG 60 Ca 0.12 -0.13 -0.18 0.00 0.07 0.00 0.00 59.98 59.85 3g1a h ARG 60 Cb 0.52 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3g1a h ARG 60 CO 0.03 0.60 -0.53 -0.22 -1.07 0.00 0.00 179.97 178.77 3g1a h LYS 61 N 0.44 0.83 0.10 0.04 3.64 -0.81 -0.04 116.57 120.77 3g1a h LYS 61 Ca 0.08 -0.52 -0.31 0.00 -1.27 0.00 0.00 60.65 58.64 3g1a h LYS 61 Cb 0.48 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3g1a h LYS 61 CO 0.03 1.15 -1.58 0.00 -2.27 0.00 0.00 179.45 176.77 3g1a h ARG 62 N 0.64 0.21 0.00 1.90 3.08 -0.99 -3.41 114.38 115.80 3g1a h ARG 62 Ca 0.02 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3g1a h ARG 62 Cb 1.13 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3g1a h ARG 62 CO 0.12 1.04 -1.07 1.19 -1.07 0.00 0.00 179.97 180.17 3g1a n PHE 63 N -3.40 0.00 -0.87 3.04 3.72 0.84 -5.00 117.46 115.79 3g1a n PHE 63 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3g1a n PHE 63 Cb 1.04 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 3g1a n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g1a n GLY 64 N 2.28 0.36 3.72 1.37 0.00 -0.03 -4.97 105.19 107.93 3g1a n GLY 64 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3g1a n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1a s ARG 66 N -4.56 4.03 -0.12 0.00 1.70 -0.23 -4.67 118.95 115.10 3g1a s ARG 66 Ca 0.66 0.81 0.02 0.00 -0.47 0.00 0.00 55.73 56.75 3g1a s ARG 66 Cb -0.22 -2.31 0.01 0.00 -0.57 0.00 0.00 34.95 31.86 3g1a s ARG 66 CO 0.54 0.02 -0.19 0.42 -1.08 0.00 0.00 175.30 175.01 3g1a s ILE 67 N -2.18 1.79 -0.25 4.99 -1.09 -1.26 -1.33 121.20 121.87 3g1a s ILE 67 Ca 0.57 -0.82 -0.06 0.00 -2.23 0.00 0.00 60.65 58.10 3g1a s ILE 67 Cb -0.10 -1.60 -0.01 0.00 -1.58 0.00 0.00 42.46 39.17 3g1a s ILE 67 CO 0.20 0.50 0.04 -0.63 -1.23 0.00 0.00 174.94 173.82 3g1a s ILE 68 N 0.84 3.97 -0.53 2.92 1.01 -0.57 -0.42 121.20 128.43 3g1a s ILE 68 Ca -0.08 -0.39 -0.24 0.00 0.00 0.00 0.00 60.65 59.94 3g1a s ILE 68 Cb -0.15 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.46 3g1a s ILE 68 CO -0.01 0.29 0.91 0.00 0.00 0.00 0.00 174.94 176.13 3g1a s ALA 69 N 1.55 3.19 -1.23 9.38 0.00 0.40 -1.00 121.76 134.06 3g1a s ALA 69 Ca 0.05 -1.18 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 3g1a s ALA 69 Cb -0.15 -3.68 0.16 0.00 0.00 0.00 0.00 23.12 19.45 3g1a s ALA 69 CO 0.01 -2.28 1.50 -3.47 0.00 0.00 0.00 175.76 171.53 3g1a n ASP 70 N 7.29 5.18 -1.13 0.00 2.03 -0.02 -1.09 116.55 128.80 3g1a n ASP 70 Ca 0.02 -2.98 0.11 0.00 0.52 0.00 0.00 54.79 52.46 3g1a n ASP 70 Cb 0.48 -1.59 0.23 0.00 -0.72 0.00 0.00 41.12 39.52 3g1a n ASP 70 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3g1a n PHE 71 N 5.87 0.59 -4.35 -0.67 3.72 -1.25 -4.15 117.46 117.21 3g1a n PHE 71 Ca 0.39 -0.32 -0.34 0.00 -0.05 0.00 0.00 57.45 57.13 3g1a n PHE 71 Cb 0.43 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.88 3g1a n PHE 71 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3g1a n LYS 72 N 1.42 -1.10 -1.69 -1.08 4.76 -1.02 -4.69 118.16 114.76 3g1a n LYS 72 Ca 0.19 0.13 -0.54 0.00 -2.87 0.00 0.00 58.31 55.22 3g1a n LYS 72 Cb 0.58 -3.95 -0.06 0.00 -1.84 0.00 0.00 35.03 29.76 3g1a n LYS 72 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3g1a n VAL 73 N -4.45 0.37 -2.68 -0.18 0.31 -0.93 -4.46 118.33 106.31 3g1a n VAL 73 Ca -0.21 -0.07 -0.08 0.00 -0.01 0.00 0.00 64.34 63.97 3g1a n VAL 73 Cb 0.63 -1.43 0.07 0.00 -0.91 0.00 0.00 33.84 32.21 3g1a n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g1a n ALA 74 N 5.60 2.49 -3.97 3.52 0.00 -1.26 -1.01 120.51 125.89 3g1a n ALA 74 Ca 0.25 -2.34 -0.06 0.00 0.00 0.00 0.00 53.44 51.29 3g1a n ALA 74 Cb 0.19 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 3g1a n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g1a n ASP 75 N -0.30 1.98 -4.79 0.00 -0.08 -1.26 -4.98 116.55 107.12 3g1a n ASP 75 Ca 0.04 -1.40 -0.30 0.00 -1.51 0.00 0.00 54.79 51.62 3g1a n ASP 75 Cb 0.83 0.04 0.09 0.00 2.34 0.00 0.00 41.12 44.42 3g1a n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3g1a s ILE 76 N -1.09 3.34 0.19 5.18 -4.36 -1.26 -4.71 121.20 118.49 3g1a s ILE 76 Ca 0.02 0.43 -0.17 0.00 -0.26 0.00 0.00 60.65 60.67 3g1a s ILE 76 Cb -0.00 -3.09 0.16 0.00 1.25 0.00 0.00 42.46 40.77 3g1a s ILE 76 CO 0.01 -0.57 1.62 -0.65 0.24 0.00 0.00 174.94 175.59 3g1a h PRO 77 N -1.06 -0.09 -0.60 0.37 0.11 -1.88 0.19 132.00 129.04 3g1a h PRO 77 Ca -0.46 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.73 3g1a h PRO 77 Cb 1.25 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 3g1a h PRO 77 CO 0.56 -0.06 0.27 1.49 -0.21 0.00 0.00 178.00 180.06 3g1a h GLU 78 N -0.09 0.48 -0.13 1.05 4.57 -1.95 -0.93 114.58 117.59 3g1a h GLU 78 Ca 0.24 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 58.19 3g1a h GLU 78 Cb 0.48 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3g1a h GLU 78 CO -0.59 0.32 -0.75 1.15 -1.18 0.00 0.00 179.01 177.96 3g1a h THR 79 N 0.50 1.32 -0.96 0.32 2.02 -1.82 -3.07 112.91 111.21 3g1a h THR 79 Ca 0.29 -2.03 0.06 0.00 0.77 0.00 0.00 66.41 65.50 3g1a h THR 79 Cb 0.28 2.02 -0.06 0.00 -1.74 0.00 0.00 68.15 68.64 3g1a h THR 79 CO -0.24 0.63 0.61 0.78 0.37 0.00 0.00 175.52 177.67 3g1a h ASN 80 N 0.44 0.98 -0.34 4.18 4.21 -0.44 -0.58 115.58 124.03 3g1a h ASN 80 Ca -0.04 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.48 3g1a h ASN 80 Cb 1.36 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 38.34 3g1a h ASN 80 CO 0.15 0.63 0.23 -0.08 -1.29 0.00 0.00 177.43 177.07 3g1a h GLU 81 N 1.12 0.45 -0.66 0.81 4.81 -1.12 -1.14 114.58 118.85 3g1a h GLU 81 Ca 0.41 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.57 3g1a h GLU 81 Cb 0.15 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3g1a h GLU 81 CO -0.17 0.30 0.22 0.87 -0.73 0.00 0.00 179.01 179.50 3g1a h LYS 82 N 0.46 1.01 -0.52 1.92 1.57 -1.28 -1.37 116.57 118.37 3g1a h LYS 82 Ca 0.13 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3g1a h LYS 82 Cb -0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3g1a h LYS 82 CO -0.03 0.87 0.29 0.82 -0.57 0.00 0.00 179.45 180.84 3g1a h ILE 83 N 0.95 1.17 -0.61 1.86 2.04 -0.83 -1.27 117.51 120.82 3g1a h ILE 83 Ca 0.22 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3g1a h ILE 83 Cb 0.27 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3g1a h ILE 83 CO -0.01 0.18 0.09 0.00 0.00 0.00 0.00 178.15 178.41 3g1a h ARG 85 N 0.92 0.41 -0.57 0.00 2.43 -0.99 0.07 114.38 116.66 3g1a h ARG 85 Ca 0.18 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3g1a h ARG 85 Cb 0.44 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3g1a h ARG 85 CO 0.01 0.35 0.11 0.00 -1.51 0.00 0.00 179.97 178.94 3g1a h ALA 86 N 1.03 1.13 -0.26 2.80 0.00 -1.12 -0.68 119.26 122.16 3g1a h ALA 86 Ca 0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3g1a h ALA 86 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3g1a h ALA 86 CO -0.02 0.58 -0.08 1.15 0.00 0.00 0.00 179.25 180.88 3g1a h THR 87 N 0.85 1.29 -0.02 0.00 2.02 -0.86 -2.61 112.91 113.58 3g1a h THR 87 Ca 0.18 -1.12 -0.13 0.00 0.77 0.00 0.00 66.41 66.11 3g1a h THR 87 Cb 0.35 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3g1a h THR 87 CO 0.00 0.35 -0.61 -0.26 0.37 0.00 0.00 175.52 175.38 3g1a h PHE 88 N 0.26 0.07 -0.25 3.16 0.04 -0.89 -2.54 116.94 116.80 3g1a h PHE 88 Ca 0.06 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3g1a h PHE 88 Cb 0.57 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3g1a h PHE 88 CO 0.05 0.65 0.10 0.87 -0.60 0.00 0.00 178.31 179.39 3g1a h LYS 89 N 0.04 0.35 0.00 1.51 1.57 -1.01 -0.63 116.57 118.39 3g1a h LYS 89 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3g1a h LYS 89 Cb 1.09 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3g1a h LYS 89 CO 0.08 0.29 0.00 0.00 -0.57 0.00 0.00 179.45 179.25 3g1a n ALA 90 N -2.49 2.23 0.00 3.86 0.00 -0.97 -4.89 120.51 118.25 3g1a n ALA 90 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3g1a n ALA 90 Cb 0.12 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3g1a n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1a n GLY 91 N 0.78 0.84 3.77 0.00 0.00 -0.24 -3.91 105.19 106.42 3g1a n GLY 91 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3g1a n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1a s ALA 92 N -2.00 3.32 -0.10 4.61 0.00 -1.15 -4.79 121.76 121.65 3g1a s ALA 92 Ca 0.00 1.18 0.15 0.00 0.00 0.00 0.00 51.96 53.29 3g1a s ALA 92 Cb 0.00 -3.46 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 3g1a s ALA 92 CO 0.00 -0.68 0.95 -0.44 0.00 0.00 0.00 175.76 175.59 3g1a h ASP 93 N 2.94 0.00 -5.16 0.00 3.32 -1.10 -3.43 116.42 112.99 3g1a h ASP 93 Ca -0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 3g1a h ASP 93 Cb 1.24 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.68 3g1a h ASP 93 CO 0.64 0.65 -0.12 0.00 -1.72 0.00 0.00 179.24 178.68 3g1a s ALA 94 N -2.87 -0.52 0.01 3.45 0.00 -1.06 -2.29 121.76 118.47 3g1a s ALA 94 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3g1a s ALA 94 Cb 0.08 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 3g1a s ALA 94 CO 0.80 -0.74 -0.01 -1.50 0.00 0.00 0.00 175.76 174.31 3g1a s ILE 95 N -3.92 0.07 -0.17 0.00 2.07 -0.76 -0.45 121.20 118.04 3g1a s ILE 95 Ca 0.13 -0.31 -0.14 0.00 -1.41 0.00 0.00 60.65 58.91 3g1a s ILE 95 Cb 0.01 -0.12 -0.05 0.00 0.13 0.00 0.00 42.46 42.43 3g1a s ILE 95 CO -0.01 -0.15 0.31 -0.63 -1.91 0.00 0.00 174.94 172.54 3g1a s ILE 96 N -0.48 5.29 -0.03 2.00 1.01 -0.25 -0.83 121.20 127.92 3g1a s ILE 96 Ca -0.05 0.57 0.06 0.00 0.00 0.00 0.00 60.65 61.23 3g1a s ILE 96 Cb -0.03 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 3g1a s ILE 96 CO -0.00 0.36 -0.21 -0.69 0.00 0.00 0.00 174.94 174.40 3g1a s VAL 97 N 0.63 1.69 0.35 2.92 1.01 0.19 -2.20 120.40 124.99 3g1a s VAL 97 Ca 0.17 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 3g1a s VAL 97 Cb -0.13 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 3g1a s VAL 97 CO 0.05 0.48 1.07 -1.00 0.00 0.00 0.00 175.10 175.69 3g1a s HIS 98 N -0.33 3.40 -0.12 5.22 3.76 -0.18 -0.92 115.29 126.12 3g1a s HIS 98 Ca 0.04 1.67 0.22 0.00 -0.15 0.00 0.00 55.06 56.84 3g1a s HIS 98 Cb -0.10 -3.19 -0.19 0.00 1.11 0.00 0.00 32.58 30.21 3g1a s HIS 98 CO 0.01 -0.59 0.72 0.41 -0.85 0.00 0.00 174.74 174.44 3g1a n GLY 99 N 0.70 -1.20 0.38 -2.22 0.00 -1.13 -4.42 105.19 97.29 3g1a n GLY 99 Ca 0.03 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.80 3g1a n GLY 99 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g1a h PHE 100 N 0.00 0.76 0.00 1.61 3.57 -1.93 -1.47 116.94 119.49 3g1a h PHE 100 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3g1a h PHE 100 Cb 1.03 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.54 3g1a h PHE 100 CO 0.00 0.24 0.00 -2.30 -2.23 0.00 0.00 178.31 174.02 3g1a n PRO 101 N -4.57 0.31 0.00 6.41 -0.02 -1.26 -4.97 135.00 130.89 3g1a n PRO 101 Ca 0.19 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3g1a n PRO 101 Cb 0.56 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 3g1a n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1a n GLY 102 N -0.15 1.93 0.29 -1.23 0.00 -0.56 -4.64 105.19 100.83 3g1a n GLY 102 Ca 0.08 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 3g1a n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1a h ALA 103 N 0.00 0.87 -0.74 4.61 0.00 -1.93 -2.93 119.26 119.13 3g1a h ALA 103 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3g1a h ALA 103 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3g1a h ALA 103 CO 0.00 0.43 0.38 0.38 0.00 0.00 0.00 179.25 180.44 3g1a h ASP 104 N 0.93 0.94 0.07 0.00 2.03 -1.99 0.06 116.42 118.47 3g1a h ASP 104 Ca 0.23 -0.09 -0.10 0.00 -0.73 0.00 0.00 57.03 56.34 3g1a h ASP 104 Cb 0.11 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.35 3g1a h ASP 104 CO -0.03 0.78 -0.32 0.28 -1.03 0.00 0.00 179.24 178.93 3g1a h SER 105 N 1.05 0.38 -0.14 4.15 0.02 -1.79 -2.03 113.55 115.18 3g1a h SER 105 Ca 0.26 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 3g1a h SER 105 Cb 0.07 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3g1a h SER 105 CO -0.04 0.68 -0.47 0.58 -1.14 0.00 0.00 176.83 176.44 3g1a h VAL 106 N 0.32 1.35 -1.01 2.27 2.07 -1.24 -3.20 116.25 116.81 3g1a h VAL 106 Ca 0.04 -1.76 0.06 0.00 0.82 0.00 0.00 66.70 65.86 3g1a h VAL 106 Cb 0.72 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 32.50 3g1a h VAL 106 CO 0.05 0.53 0.65 -0.09 0.02 0.00 0.00 177.57 178.74 3g1a h ARG 107 N 0.19 1.16 -0.93 1.57 9.65 -0.83 -0.78 114.38 124.40 3g1a h ARG 107 Ca -0.02 -0.07 0.08 0.00 -1.10 0.00 0.00 59.98 58.87 3g1a h ARG 107 Cb 1.10 -0.26 -0.07 0.00 -1.39 0.00 0.00 29.97 29.35 3g1a h ARG 107 CO 0.10 0.77 0.58 0.00 2.80 0.00 0.00 179.97 184.22 3g1a h ALA 108 N 1.45 1.32 -0.28 2.80 0.00 -1.37 -0.08 119.26 123.10 3g1a h ALA 108 Ca 0.43 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 3g1a h ALA 108 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3g1a h ALA 108 CO -0.17 0.30 -0.31 0.00 0.00 0.00 0.00 179.25 179.07 3g1a h LEU 110 N 0.45 0.94 -0.00 0.00 3.38 -0.51 -1.54 115.31 118.03 3g1a h LEU 110 Ca 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g1a h LEU 110 Cb 0.89 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3g1a h LEU 110 CO 0.08 0.71 0.00 0.78 0.09 0.00 0.00 178.44 180.09 3g1a h ASN 111 N 1.10 0.00 -0.63 -0.43 2.35 -0.97 -1.19 115.58 115.81 3g1a h ASN 111 Ca 0.29 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 3g1a h ASN 111 Cb -0.08 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 3g1a h ASN 111 CO -0.06 0.05 0.14 0.58 -1.65 0.00 0.00 177.43 176.49 3g1a h VAL 112 N -0.04 1.26 -0.52 2.81 2.07 -1.38 -1.84 116.25 118.61 3g1a h VAL 112 Ca 0.00 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3g1a h VAL 112 Cb 0.05 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3g1a h VAL 112 CO -0.00 0.37 0.28 0.00 0.02 0.00 0.00 177.57 178.24 3g1a h ALA 113 N 1.15 0.67 -0.55 1.67 0.00 -1.12 -1.07 119.26 120.02 3g1a h ALA 113 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3g1a h ALA 113 Cb 0.38 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3g1a h ALA 113 CO 0.01 0.20 0.30 1.49 0.00 0.00 0.00 179.25 181.24 3g1a h GLU 114 N 0.70 0.77 -0.26 0.00 4.81 -0.99 0.26 114.58 119.86 3g1a h GLU 114 Ca 0.18 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3g1a h GLU 114 Cb 0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3g1a h GLU 114 CO -0.03 0.59 -0.06 1.49 -0.73 0.00 0.00 179.01 180.28 3g1a h GLU 115 N 0.73 0.41 -0.48 1.92 4.81 -0.98 -3.03 114.58 117.97 3g1a h GLU 115 Ca 0.19 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3g1a h GLU 115 Cb 0.06 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3g1a h GLU 115 CO -0.03 0.49 0.00 -1.33 -0.73 0.00 0.00 179.01 177.41 3g1a n MET 116 N -4.27 2.61 -3.01 1.92 2.81 -0.44 -4.99 117.12 111.75 3g1a n MET 116 Ca 0.01 -2.26 -0.12 0.00 -1.81 0.00 0.00 57.70 53.51 3g1a n MET 116 Cb 0.26 -1.42 0.06 0.00 -0.71 0.00 0.00 33.22 31.41 3g1a n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g1a n GLY 117 N 1.10 -0.11 3.46 3.03 0.00 -0.05 -5.04 105.19 107.58 3g1a n GLY 117 Ca 0.17 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 3g1a n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g1a n ARG 118 N -3.20 0.58 -4.48 1.61 5.12 0.73 -5.03 116.66 111.98 3g1a n ARG 118 Ca -0.18 -3.56 -0.27 0.00 -1.93 0.00 0.00 57.85 51.91 3g1a n ARG 118 Cb 0.61 1.87 -0.13 0.00 -1.16 0.00 0.00 32.46 33.65 3g1a n ARG 118 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3g1a s GLU 119 N -3.61 1.39 -0.14 5.56 0.41 -0.97 -4.38 118.70 116.96 3g1a s GLU 119 Ca 0.20 -1.20 -0.03 0.00 -0.41 0.00 0.00 54.97 53.52 3g1a s GLU 119 Cb 0.01 -1.72 -0.03 0.00 -1.78 0.00 0.00 34.13 30.61 3g1a s GLU 119 CO 0.14 0.42 -0.04 0.08 -0.49 0.00 0.00 175.26 175.37 3g1a s VAL 120 N -1.01 3.91 -0.22 2.63 1.01 -1.26 -1.83 120.40 123.63 3g1a s VAL 120 Ca 0.11 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 3g1a s VAL 120 Cb -0.10 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 3g1a s VAL 120 CO 0.04 0.51 0.02 -0.36 0.00 0.00 0.00 175.10 175.31 3g1a s PHE 121 N 0.14 3.05 -0.28 5.22 0.08 -0.01 -4.15 117.98 122.04 3g1a s PHE 121 Ca -0.01 -0.48 -0.17 0.00 0.12 0.00 0.00 56.93 56.39 3g1a s PHE 121 Cb -0.14 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 3g1a s PHE 121 CO 0.03 -0.29 0.48 -1.17 -0.10 0.00 0.00 175.22 174.17 3g1a s LEU 122 N 1.20 4.10 -0.33 -0.37 2.96 0.22 -0.64 118.68 125.83 3g1a s LEU 122 Ca 0.03 0.36 -0.25 0.00 -0.22 0.00 0.00 54.13 54.05 3g1a s LEU 122 Cb -0.14 -2.59 0.01 0.00 0.50 0.00 0.00 46.19 43.96 3g1a s LEU 122 CO 0.02 -0.30 0.87 -0.22 -1.32 0.00 0.00 176.35 175.40 3g1a s LEU 123 N 2.27 4.05 -0.26 -0.68 2.96 -0.10 -0.88 118.68 126.04 3g1a s LEU 123 Ca 0.19 0.68 -0.13 0.00 -0.22 0.00 0.00 54.13 54.65 3g1a s LEU 123 Cb -0.16 -3.20 -0.14 0.00 0.50 0.00 0.00 46.19 43.19 3g1a s LEU 123 CO 0.10 -0.73 -0.22 0.35 -1.32 0.00 0.00 176.35 174.53 3g1a n THR 124 N 5.72 1.53 -4.17 3.68 -2.24 -0.94 -2.83 114.28 115.03 3g1a n THR 124 Ca 0.06 -0.35 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 3g1a n THR 124 Cb 0.48 -1.86 -0.15 0.00 -2.10 0.00 0.00 70.33 66.70 3g1a n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3g1a s GLU 125 N -2.49 0.55 0.46 -0.78 2.12 -1.26 -4.44 118.70 112.87 3g1a s GLU 125 Ca -0.36 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 3g1a s GLU 125 Cb 0.12 -0.55 -0.02 0.00 0.26 0.00 0.00 34.13 33.94 3g1a s GLU 125 CO 0.53 0.06 0.72 -1.64 -0.54 0.00 0.00 175.26 174.39 3g1a s MET 126 N 0.19 3.33 0.18 4.30 -1.94 -1.26 -3.43 119.30 120.66 3g1a s MET 126 Ca -0.02 -0.12 0.24 0.00 -1.71 0.00 0.00 55.69 54.09 3g1a s MET 126 Cb -0.06 -2.47 0.39 0.00 2.01 0.00 0.00 34.83 34.69 3g1a s MET 126 CO -0.00 -0.21 1.40 0.66 -0.01 0.00 0.00 175.02 176.86 3g1a h SER 127 N 0.33 0.00 -4.08 3.03 4.64 -1.92 -3.44 113.55 112.11 3g1a h SER 127 Ca -0.47 -0.12 -0.50 0.00 -0.47 0.00 0.00 61.79 60.23 3g1a h SER 127 Cb 1.23 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.37 3g1a h SER 127 CO 0.60 0.06 0.31 -1.38 -0.87 0.00 0.00 176.83 175.56 3g1a s HIS 128 N -3.19 3.60 0.26 4.77 -3.43 -1.26 -4.73 115.29 111.31 3g1a s HIS 128 Ca 0.06 1.12 -0.02 0.00 -0.80 0.00 0.00 55.06 55.43 3g1a s HIS 128 Cb 0.12 -2.58 0.52 0.00 -1.43 0.00 0.00 32.58 29.21 3g1a s HIS 128 CO 0.70 -0.55 1.75 -1.35 -2.00 0.00 0.00 174.74 173.29 3g1a h PRO 129 N -0.13 0.56 0.00 -0.38 0.11 -2.00 -1.13 132.00 129.02 3g1a h PRO 129 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3g1a h PRO 129 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3g1a h PRO 129 CO 0.62 0.37 0.09 0.78 -0.21 0.00 0.00 178.00 179.65 3g1a h GLY 130 N 0.57 0.00 2.00 -0.55 0.00 -1.97 -1.69 103.07 101.44 3g1a h GLY 130 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 3g1a h GLY 130 CO -0.38 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.14 3g1a h ALA 131 N 1.81 1.23 0.00 3.60 0.00 -1.50 -2.08 119.26 122.33 3g1a h ALA 131 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3g1a h ALA 131 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3g1a h ALA 131 CO 0.00 0.03 -0.19 0.93 0.00 0.00 0.00 179.25 180.02 3g1a h GLU 132 N 0.00 0.00 0.08 0.00 5.08 -1.49 -0.16 114.58 118.09 3g1a h GLU 132 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g1a h GLU 132 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3g1a h GLU 132 CO 0.00 0.19 -0.04 0.52 -1.00 0.00 0.00 179.01 178.69 3g1a h MET 133 N 0.00 -0.10 0.00 2.33 2.86 -1.58 -3.42 114.93 115.03 3g1a h MET 133 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g1a h MET 133 Cb 0.68 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3g1a h MET 133 CO 0.03 0.14 -0.55 1.19 1.06 0.00 0.00 176.91 178.78 3g1a n PHE 134 N -5.03 0.00 -0.04 -0.22 3.72 -1.25 -4.88 117.46 109.77 3g1a n PHE 134 Ca -0.08 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.20 3g1a n PHE 134 Cb 0.16 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 3g1a n PHE 134 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3g1a h ILE 135 N 0.00 1.20 -0.67 4.37 2.04 -1.80 -3.26 117.51 119.40 3g1a h ILE 135 Ca 0.00 -0.64 0.11 0.00 1.00 0.00 0.00 64.86 65.33 3g1a h ILE 135 Cb 0.55 1.34 -0.08 0.00 -0.74 0.00 0.00 36.82 37.89 3g1a h ILE 135 CO 0.00 0.19 0.27 -0.61 0.00 0.00 0.00 178.15 178.01 3g1a h GLN 136 N 0.04 0.45 0.00 2.37 4.15 -1.26 0.46 115.11 121.32 3g1a h GLN 136 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3g1a h GLN 136 Cb 0.26 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3g1a h GLN 136 CO 0.00 0.30 0.00 0.78 -1.93 0.00 0.00 178.83 177.98 3g1a h GLY 137 N 0.46 0.00 -0.15 2.39 0.00 -1.82 -2.57 103.07 101.38 3g1a h GLY 137 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3g1a h GLY 137 CO -0.32 0.00 -0.59 0.00 0.00 0.00 0.00 176.54 175.62 3g1a n ALA 138 N -2.06 3.70 -0.13 3.60 0.00 -0.44 -4.74 120.51 120.44 3g1a n ALA 138 Ca -0.01 -0.43 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 3g1a n ALA 138 Cb 0.18 -0.52 0.02 0.00 0.00 0.00 0.00 19.45 19.13 3g1a n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1a h ALA 139 N 2.15 0.20 -0.75 0.00 0.00 -0.53 0.09 119.26 120.43 3g1a h ALA 139 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3g1a h ALA 139 Cb 0.38 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3g1a h ALA 139 CO 0.00 -0.50 0.45 -0.44 0.00 0.00 0.00 179.25 178.76 3g1a h ASP 140 N -0.06 0.90 -0.19 0.00 5.19 -1.85 -0.32 116.42 120.08 3g1a h ASP 140 Ca 0.21 -0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.45 3g1a h ASP 140 Cb 0.38 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 3g1a h ASP 140 CO -0.48 0.70 -0.21 -0.08 -3.12 0.00 0.00 179.24 176.06 3g1a h GLU 141 N 1.02 0.64 -0.67 3.56 4.81 -1.75 -0.87 114.58 121.32 3g1a h GLU 141 Ca 0.27 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3g1a h GLU 141 Cb -0.03 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3g1a h GLU 141 CO -0.05 0.80 0.12 0.82 -0.73 0.00 0.00 179.01 179.97 3g1a h ILE 142 N 0.56 1.26 -0.46 2.32 2.04 -0.45 -0.42 117.51 122.36 3g1a h ILE 142 Ca 0.09 -1.02 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 3g1a h ILE 142 Cb 0.66 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3g1a h ILE 142 CO 0.05 0.38 0.08 0.00 0.00 0.00 0.00 178.15 178.66 3g1a h ALA 143 N 1.09 0.61 -0.42 1.87 0.00 -0.65 -1.02 119.26 120.74 3g1a h ALA 143 Ca 0.21 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3g1a h ALA 143 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3g1a h ALA 143 CO 0.01 0.33 0.11 0.00 0.00 0.00 0.00 179.25 179.69 3g1a h ARG 144 N 0.62 0.62 -0.71 0.00 3.08 -0.87 -1.31 114.38 115.80 3g1a h ARG 144 Ca 0.14 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3g1a h ARG 144 Cb 0.38 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3g1a h ARG 144 CO 0.01 0.56 0.24 1.98 -1.07 0.00 0.00 179.97 181.69 3g1a h MET 145 N 0.60 1.10 -0.48 0.04 4.05 -0.61 -0.31 114.93 119.32 3g1a h MET 145 Ca 0.14 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3g1a h MET 145 Cb 0.22 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 3g1a h MET 145 CO -0.00 0.94 0.31 0.78 0.23 0.00 0.00 176.91 179.16 3g1a h GLY 146 N 1.05 0.68 1.00 1.39 0.00 -0.23 -0.09 103.07 106.86 3g1a h GLY 146 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3g1a h GLY 146 CO -0.01 0.26 0.17 -2.08 0.00 0.00 0.00 176.54 174.88 3g1a h VAL 147 N 0.64 1.07 -0.49 4.60 2.07 -0.79 0.41 116.25 123.76 3g1a h VAL 147 Ca 0.17 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3g1a h VAL 147 Cb -0.05 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3g1a h VAL 147 CO -0.04 0.07 0.32 0.44 0.02 0.00 0.00 177.57 178.39 3g1a h ASP 148 N 0.36 0.57 0.48 0.57 3.32 -0.70 -1.75 116.42 119.27 3g1a h ASP 148 Ca 0.10 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3g1a h ASP 148 Cb -0.03 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3g1a h ASP 148 CO -0.02 0.42 -0.05 0.18 -1.72 0.00 0.00 179.24 178.04 3g1a n LEU 149 N -4.46 0.20 0.00 1.55 4.77 -0.08 -4.92 117.00 114.07 3g1a n LEU 149 Ca 0.04 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3g1a n LEU 149 Cb 0.05 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3g1a n LEU 149 CO 0.36 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3g1a n GLY 150 N 1.28 0.52 3.75 -0.72 0.00 -0.60 -5.02 105.19 104.41 3g1a n GLY 150 Ca 0.14 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 3g1a n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1a s VAL 151 N -2.00 2.97 -0.26 1.61 1.01 0.03 -4.93 120.40 118.83 3g1a s VAL 151 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 61.98 62.88 3g1a s VAL 151 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3g1a s VAL 151 CO 0.00 0.16 0.30 0.29 0.00 0.00 0.00 175.10 175.86 3g1a n LYS 152 N 1.83 3.76 -4.94 2.72 5.02 -1.26 -4.60 118.16 120.70 3g1a n LYS 152 Ca 0.04 -0.24 -0.28 0.00 -2.02 0.00 0.00 58.31 55.80 3g1a n LYS 152 Cb 0.42 -0.80 -0.17 0.00 -0.02 0.00 0.00 35.03 34.47 3g1a n LYS 152 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3g1a s ASN 153 N -0.98 2.46 0.12 4.39 0.01 -1.26 -0.07 114.94 119.62 3g1a s ASN 153 Ca 0.02 -0.43 0.02 0.00 -0.71 0.00 0.00 52.86 51.77 3g1a s ASN 153 Cb 0.03 -0.99 -0.04 0.00 0.41 0.00 0.00 41.25 40.65 3g1a s ASN 153 CO 0.11 0.13 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.46 3g1a s TYR 154 N 0.33 1.02 -0.08 2.20 2.02 0.60 -0.61 117.35 122.84 3g1a s TYR 154 Ca -0.13 -0.93 0.02 0.00 -0.37 0.00 0.00 57.07 55.66 3g1a s TYR 154 Cb -0.15 -0.58 0.02 0.00 -0.40 0.00 0.00 41.96 40.85 3g1a s TYR 154 CO 0.05 -0.14 -0.12 0.08 -1.57 0.00 0.00 175.55 173.86 3g1a s VAL 155 N -3.60 1.15 0.10 0.71 1.01 -0.06 -1.46 120.40 118.25 3g1a s VAL 155 Ca 0.16 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3g1a s VAL 155 Cb 0.05 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3g1a s VAL 155 CO -0.02 0.37 -0.04 -0.83 0.00 0.00 0.00 175.10 174.58 3g1a s GLY 156 N 0.90 0.76 -0.12 4.51 0.00 -0.99 -2.21 107.32 110.16 3g1a s GLY 156 Ca -0.10 -1.35 -0.29 0.00 0.00 0.00 0.00 44.72 42.97 3g1a s GLY 156 CO 0.01 -1.42 1.25 2.56 0.00 0.00 0.00 173.10 175.50 3g1a s PRO 157 N -3.88 4.27 0.37 2.90 0.04 -1.22 -3.68 135.00 133.79 3g1a s PRO 157 Ca 0.13 1.69 0.17 0.00 0.04 0.00 0.00 61.00 63.02 3g1a s PRO 157 Cb 0.06 -3.69 0.70 0.00 0.04 0.00 0.00 34.50 31.61 3g1a s PRO 157 CO -0.05 -0.62 1.76 1.03 0.04 0.00 0.00 177.00 179.17 3g1a h SER 158 N 7.96 0.00 0.53 6.66 0.87 -1.59 -3.03 113.55 124.96 3g1a h SER 158 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3g1a h SER 158 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3g1a h SER 158 CO 0.94 0.40 0.00 0.35 -0.53 0.00 0.00 176.83 177.98 3g1a n THR 159 N -3.71 1.00 -3.44 2.23 -2.24 -1.26 -3.90 114.28 102.96 3g1a n THR 159 Ca -0.01 0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.78 3g1a n THR 159 Cb 0.48 -1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 67.48 3g1a n THR 159 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g1a n ARG 160 N -1.83 0.48 -0.31 -0.78 1.74 -1.14 -4.96 116.66 109.86 3g1a n ARG 160 Ca 0.02 -3.37 0.22 0.00 -0.77 0.00 0.00 57.85 53.96 3g1a n ARG 160 Cb 0.18 -1.72 0.51 0.00 -1.02 0.00 0.00 32.46 30.41 3g1a n ARG 160 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3g1a h PRO 161 N 5.43 0.38 -0.26 5.56 0.11 -1.75 0.10 132.00 141.58 3g1a h PRO 161 Ca 0.24 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.21 3g1a h PRO 161 Cb 0.88 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3g1a h PRO 161 CO 0.43 0.25 -0.31 1.05 -0.21 0.00 0.00 178.00 179.21 3g1a h GLU 162 N 0.39 0.53 -0.09 1.05 9.09 -1.94 0.93 114.58 124.54 3g1a h GLU 162 Ca 0.57 -0.23 -0.23 0.00 0.05 0.00 0.00 59.36 59.52 3g1a h GLU 162 Cb 1.46 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 28.56 3g1a h GLU 162 CO -0.26 0.78 -0.85 0.00 0.05 0.00 0.00 179.01 178.73 3g1a h ARG 163 N 0.46 0.68 -0.73 1.06 2.47 -1.24 -1.89 114.38 115.18 3g1a h ARG 163 Ca 0.06 -0.61 -0.06 0.00 -1.26 0.00 0.00 59.98 58.10 3g1a h ARG 163 Cb 0.77 0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.21 3g1a h ARG 163 CO 0.06 1.22 0.21 1.25 0.56 0.00 0.00 179.97 183.27 3g1a h LEU 164 N 0.44 1.08 -0.66 3.04 5.85 -0.81 -0.98 115.31 123.28 3g1a h LEU 164 Ca -0.07 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 3g1a h LEU 164 Cb 1.48 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 3g1a h LEU 164 CO 0.17 1.01 0.16 -1.28 -0.34 0.00 0.00 178.44 178.16 3g1a h SER 165 N 1.10 1.00 -0.82 1.25 0.87 -0.76 -1.46 113.55 114.74 3g1a h SER 165 Ca 0.23 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3g1a h SER 165 Cb 0.33 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 3g1a h SER 165 CO -0.00 0.97 0.35 -0.09 -0.53 0.00 0.00 176.83 177.53 3g1a h ARG 166 N 0.98 1.20 -0.53 2.24 9.65 -0.90 -0.87 114.38 126.14 3g1a h ARG 166 Ca 0.21 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3g1a h ARG 166 Cb 0.36 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 3g1a h ARG 166 CO 0.00 0.95 0.33 1.25 2.80 0.00 0.00 179.97 185.30 3g1a h LEU 167 N 1.18 0.63 -0.88 3.80 5.85 -0.79 -1.47 115.31 123.63 3g1a h LEU 167 Ca 0.27 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.95 3g1a h LEU 167 Cb 0.18 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3g1a h LEU 167 CO -0.03 0.50 0.58 -0.09 -0.34 0.00 0.00 178.44 179.06 3g1a h ARG 168 N 0.71 1.16 -0.45 1.25 9.65 -0.82 -1.64 114.38 124.24 3g1a h ARG 168 Ca 0.19 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 3g1a h ARG 168 Cb -0.02 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.27 3g1a h ARG 168 CO -0.04 0.77 0.30 0.93 2.80 0.00 0.00 179.97 184.73 3g1a h GLU 169 N 1.19 0.59 -0.21 0.20 5.08 -0.48 -0.32 114.58 120.63 3g1a h GLU 169 Ca 0.32 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3g1a h GLU 169 Cb -0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3g1a h GLU 169 CO -0.07 0.40 0.06 0.82 -1.00 0.00 0.00 179.01 179.22 3g1a h ILE 170 N 0.61 1.20 0.00 3.13 2.04 -0.87 -3.21 117.51 120.41 3g1a h ILE 170 Ca 0.16 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3g1a h ILE 170 Cb -0.07 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3g1a h ILE 170 CO -0.04 0.20 0.00 0.16 0.00 0.00 0.00 178.15 178.47 3g1a h ILE 171 N 0.17 0.00 0.00 -0.67 3.07 -1.23 -3.49 117.51 115.36 3g1a h ILE 171 Ca 0.07 -0.84 0.00 0.00 1.55 0.00 0.00 64.86 65.64 3g1a h ILE 171 Cb 0.25 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 3g1a h ILE 171 CO -0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 3g1a n GLY 172 N 1.15 -0.59 0.23 0.16 0.00 -0.14 -4.21 105.19 101.80 3g1a n GLY 172 Ca 0.04 -1.68 0.11 0.00 0.00 0.00 0.00 46.02 44.49 3g1a n GLY 172 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g1a h GLN 173 N 0.00 0.00 -0.03 1.61 1.08 -1.92 -3.18 115.11 112.67 3g1a h GLN 173 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 3g1a h GLN 173 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3g1a h GLN 173 CO 0.00 0.19 -0.67 -0.44 -0.95 0.00 0.00 178.83 176.96 3g1a h ASP 174 N 0.00 0.16 -4.23 1.46 5.19 -1.96 -3.45 116.42 113.58 3g1a h ASP 174 Ca -0.00 -0.10 -0.51 0.00 -0.62 0.00 0.00 57.03 55.80 3g1a h ASP 174 Cb 0.70 -0.05 0.12 0.00 0.18 0.00 0.00 39.33 40.28 3g1a h ASP 174 CO 0.02 0.78 0.35 -0.44 -3.12 0.00 0.00 179.24 176.83 3g1a s SER 175 N -6.88 4.78 -0.18 6.45 0.01 -1.20 -5.02 113.70 111.65 3g1a s SER 175 Ca -0.03 1.98 -0.09 0.00 1.31 0.00 0.00 55.95 59.13 3g1a s SER 175 Cb 0.12 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 3g1a s SER 175 CO 0.79 -1.85 0.12 0.12 0.41 0.00 0.00 173.24 172.83 3g1a s PHE 176 N -2.49 3.43 -0.08 2.43 5.36 0.90 -4.99 117.98 122.54 3g1a s PHE 176 Ca 0.66 0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.98 3g1a s PHE 176 Cb -0.20 -2.11 0.02 0.00 -0.34 0.00 0.00 43.02 40.39 3g1a s PHE 176 CO 0.47 0.36 -0.09 -1.17 -1.46 0.00 0.00 175.22 173.33 3g1a s LEU 177 N 0.09 1.37 0.17 6.12 2.96 -1.26 -0.29 118.68 127.84 3g1a s LEU 177 Ca 0.09 -0.26 0.10 0.00 -0.22 0.00 0.00 54.13 53.84 3g1a s LEU 177 Cb -0.11 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 3g1a s LEU 177 CO -0.01 -0.05 -0.18 0.27 -1.32 0.00 0.00 176.35 175.07 3g1a s ILE 178 N 1.13 2.73 -0.05 6.68 -4.36 -0.54 0.10 121.20 126.89 3g1a s ILE 178 Ca -0.06 -1.77 -0.02 0.00 -0.26 0.00 0.00 60.65 58.53 3g1a s ILE 178 Cb -0.14 -2.31 0.03 0.00 1.25 0.00 0.00 42.46 41.29 3g1a s ILE 178 CO -0.01 -0.05 0.09 -0.55 0.24 0.00 0.00 174.94 174.65 3g1a s SER 179 N -2.56 0.77 0.56 4.36 0.15 -0.54 -2.36 113.70 114.08 3g1a s SER 179 Ca 0.21 0.15 0.04 0.00 0.70 0.00 0.00 55.95 57.05 3g1a s SER 179 Cb -0.09 -0.00 0.06 0.00 -1.71 0.00 0.00 66.02 64.28 3g1a s SER 179 CO 0.11 -0.22 0.77 -2.16 1.20 0.00 0.00 173.24 172.95 3g1a s PRO 180 N 1.94 2.38 0.00 5.44 0.04 -1.24 -0.72 135.00 142.85 3g1a s PRO 180 Ca 0.01 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 59.91 3g1a s PRO 180 Cb -0.12 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3g1a s PRO 180 CO -0.04 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.62 3g1a n GLY 181 N -2.30 0.92 3.73 0.56 0.00 -1.26 -1.58 105.19 105.26 3g1a n GLY 181 Ca 0.11 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3g1a n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1a s VAL 182 N -2.00 5.09 0.00 1.61 1.01 -1.26 -0.45 120.40 124.40 3g1a s VAL 182 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.13 3g1a s VAL 182 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3g1a s VAL 182 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3g1a n GLY 183 N 3.03 1.38 0.28 4.51 0.00 -0.47 -4.48 105.19 109.44 3g1a n GLY 183 Ca -0.05 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.51 3g1a n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1a h ALA 184 N 0.00 1.08 -0.00 4.61 0.00 -1.90 0.16 119.26 123.21 3g1a h ALA 184 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3g1a h ALA 184 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3g1a h ALA 184 CO 0.00 -0.31 -0.01 1.04 0.00 0.00 0.00 179.25 179.97 3g1a n GLN 185 N -5.10 1.10 0.00 0.00 6.02 -1.26 -4.92 117.38 113.23 3g1a n GLN 185 Ca 0.16 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 3g1a n GLN 185 Cb 0.49 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.26 3g1a n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g1a n GLY 186 N 1.10 0.57 3.77 1.08 0.00 0.05 -4.91 105.19 106.84 3g1a n GLY 186 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3g1a n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g1a s GLY 187 N -2.06 2.79 -0.17 -0.02 0.00 0.40 -4.74 107.32 103.52 3g1a s GLY 187 Ca 0.00 0.95 -0.13 0.00 0.00 0.00 0.00 44.72 45.54 3g1a s GLY 187 CO 0.00 1.41 0.26 -0.35 0.00 0.00 0.00 173.10 174.42 3g1a s ASP 188 N -1.33 6.38 0.11 1.64 2.15 -1.26 -1.36 116.67 123.00 3g1a s ASP 188 Ca 0.63 0.44 -0.33 0.00 0.43 0.00 0.00 52.55 53.72 3g1a s ASP 188 Cb -0.29 -2.16 -0.12 0.00 -0.30 0.00 0.00 42.92 40.04 3g1a s ASP 188 CO 0.35 0.10 1.58 -0.65 -0.17 0.00 0.00 175.17 176.38 3g1a h PRO 189 N 6.74 -0.70 -0.47 4.34 0.11 -1.97 -1.46 132.00 138.59 3g1a h PRO 189 Ca -0.41 0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.76 3g1a h PRO 189 Cb 1.16 0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3g1a h PRO 189 CO 0.75 -0.47 0.31 0.78 -0.21 0.00 0.00 178.00 179.16 3g1a h GLY 190 N -0.73 0.66 1.12 -0.55 0.00 -1.94 -2.23 103.07 99.40 3g1a h GLY 190 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 3g1a h GLY 190 CO -0.23 0.24 0.27 0.83 0.00 0.00 0.00 176.54 177.65 3g1a h GLU 191 N 0.63 1.11 -0.53 4.80 4.39 -1.97 -2.64 114.58 120.37 3g1a h GLU 191 Ca 0.17 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 3g1a h GLU 191 Cb -0.06 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 3g1a h GLU 191 CO -0.04 0.92 0.09 1.15 -1.16 0.00 0.00 179.01 179.97 3g1a h THR 192 N 1.08 1.23 0.00 1.13 2.02 -1.03 -2.18 112.91 115.17 3g1a h THR 192 Ca 0.25 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3g1a h THR 192 Cb 0.24 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3g1a h THR 192 CO -0.02 0.32 0.00 0.18 0.37 0.00 0.00 175.52 176.38 3g1a n LEU 193 N -4.25 0.00 0.16 2.58 4.77 -0.86 -0.94 117.00 118.46 3g1a n LEU 193 Ca 0.04 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.05 3g1a n LEU 193 Cb 0.25 -0.01 0.24 0.00 -2.33 0.00 0.00 43.42 41.57 3g1a n LEU 193 CO 0.41 -0.00 0.58 0.03 -1.33 0.00 0.00 177.39 177.07 3g1a h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -1.34 -3.38 114.38 115.97 3g1a h ARG 194 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3g1a h ARG 194 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3g1a h ARG 194 CO 0.00 0.50 -1.15 1.19 -1.07 0.00 0.00 179.97 179.43 3g1a n PHE 195 N -3.61 0.00 -3.21 3.04 3.72 -0.84 -5.05 117.46 111.51 3g1a n PHE 195 Ca -0.00 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.08 3g1a n PHE 195 Cb 0.58 -0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 38.96 3g1a n PHE 195 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3g1a s ALA 196 N -2.05 3.42 0.15 4.37 0.00 -0.12 -4.90 121.76 122.63 3g1a s ALA 196 Ca -0.03 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.83 3g1a s ALA 196 Cb 0.01 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 3g1a s ALA 196 CO 0.07 0.35 1.35 -0.44 0.00 0.00 0.00 175.76 177.09 3g1a h ASP 197 N 2.22 0.26 -4.97 0.00 3.32 -0.66 -3.40 116.42 113.19 3g1a h ASP 197 Ca -0.47 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.23 3g1a h ASP 197 Cb 1.17 -0.08 -0.20 0.00 0.22 0.00 0.00 39.33 40.44 3g1a h ASP 197 CO 0.66 1.04 -0.33 0.00 -1.72 0.00 0.00 179.24 178.90 3g1a s ALA 198 N -3.14 -0.67 0.03 3.45 0.00 -1.10 -4.75 121.76 115.57 3g1a s ALA 198 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3g1a s ALA 198 Cb 0.10 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3g1a s ALA 198 CO 0.83 -0.25 0.12 0.96 0.00 0.00 0.00 175.76 177.42 3g1a s ILE 199 N -1.32 4.89 -0.19 0.00 -4.36 -0.32 -1.47 121.20 118.43 3g1a s ILE 199 Ca -0.14 -0.47 -0.07 0.00 -0.26 0.00 0.00 60.65 59.72 3g1a s ILE 199 Cb -0.06 -3.30 -0.04 0.00 1.25 0.00 0.00 42.46 40.32 3g1a s ILE 199 CO 0.04 0.25 0.04 -0.63 0.24 0.00 0.00 174.94 174.88 3g1a s ILE 200 N -1.32 4.53 -0.07 8.37 1.01 0.11 -0.54 121.20 133.28 3g1a s ILE 200 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.80 3g1a s ILE 200 Cb -0.12 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.33 3g1a s ILE 200 CO 0.19 0.44 -0.04 -0.69 0.00 0.00 0.00 174.94 174.84 3g1a s VAL 201 N 0.60 0.62 0.00 2.92 1.01 -0.08 -4.03 120.40 121.44 3g1a s VAL 201 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3g1a s VAL 201 Cb -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.57 3g1a s VAL 201 CO 0.02 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3g1a n GLY 202 N 4.51 0.32 0.33 4.51 0.00 -1.26 -0.76 105.19 112.83 3g1a n GLY 202 Ca -0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.00 3g1a n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g1a h ARG 203 N 0.00 0.49 -0.37 1.61 3.08 -1.92 0.50 114.38 117.78 3g1a h ARG 203 Ca 0.00 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.13 3g1a h ARG 203 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3g1a h ARG 203 CO 0.00 0.33 0.37 0.77 -1.07 0.00 0.00 179.97 180.36 3g1a h SER 204 N 0.51 0.00 0.00 7.04 0.02 -1.90 -0.73 113.55 118.48 3g1a h SER 204 Ca 0.60 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.52 3g1a h SER 204 Cb 1.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 3g1a h SER 204 CO -0.49 0.00 -1.04 -0.38 -1.14 0.00 0.00 176.83 173.78 3g1a n ILE 205 N -3.84 1.48 0.48 3.27 5.41 0.03 -4.26 119.36 121.93 3g1a n ILE 205 Ca 0.06 0.12 0.09 0.00 1.00 0.00 0.00 62.75 64.03 3g1a n ILE 205 Cb 0.54 -2.27 0.40 0.00 -0.71 0.00 0.00 39.64 37.59 3g1a n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g1a n TYR 206 N -4.38 0.36 0.66 1.39 0.18 -0.37 -2.38 117.16 112.62 3g1a n TYR 206 Ca -0.16 0.14 0.08 0.00 1.88 0.00 0.00 57.90 59.84 3g1a n TYR 206 Cb 0.51 -0.72 0.02 0.00 -0.38 0.00 0.00 39.34 38.77 3g1a n TYR 206 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3g1a n LEU 207 N -1.82 1.77 -4.78 -3.48 4.77 -0.28 -4.99 117.00 108.19 3g1a n LEU 207 Ca 0.03 -0.83 -0.33 0.00 -0.03 0.00 0.00 56.01 54.85 3g1a n LEU 207 Cb 0.21 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3g1a n LEU 207 CO 0.17 0.33 0.74 0.00 -1.33 0.00 0.00 177.39 177.31 3g1a s ALA 208 N -1.66 2.55 0.20 -1.18 0.00 -1.00 -4.93 121.76 115.74 3g1a s ALA 208 Ca 0.14 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 3g1a s ALA 208 Cb 0.12 -3.31 0.17 0.00 0.00 0.00 0.00 23.12 20.10 3g1a s ALA 208 CO 0.32 -1.12 1.85 -0.44 0.00 0.00 0.00 175.76 176.38 3g1a h ASP 209 N 0.27 0.74 -3.73 0.00 3.32 -1.94 -3.32 116.42 111.76 3g1a h ASP 209 Ca -0.47 -0.01 -0.62 0.00 0.02 0.00 0.00 57.03 55.95 3g1a h ASP 209 Cb 1.24 -0.17 -0.40 0.00 0.22 0.00 0.00 39.33 40.22 3g1a h ASP 209 CO 0.55 0.52 -0.69 0.21 -1.72 0.00 0.00 179.24 178.11 3g1a s ASN 210 N -5.77 3.92 0.28 6.45 3.84 -1.26 -4.99 114.94 117.40 3g1a s ASN 210 Ca -0.13 -2.90 0.02 0.00 0.21 0.00 0.00 52.86 50.06 3g1a s ASN 210 Cb 0.15 -1.29 0.67 0.00 -0.55 0.00 0.00 41.25 40.24 3g1a s ASN 210 CO 0.77 -0.23 1.70 -0.65 -2.79 0.00 0.00 177.10 175.90 3g1a h PRO 211 N 6.47 0.41 -0.38 0.43 0.11 -1.73 -0.98 132.00 136.33 3g1a h PRO 211 Ca -0.01 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.08 3g1a h PRO 211 Cb 0.90 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 3g1a h PRO 211 CO 0.57 0.27 0.25 0.00 -0.21 0.00 0.00 178.00 178.88 3g1a h ALA 212 N 1.68 0.49 -0.33 -0.75 0.00 -1.89 -0.25 119.26 118.21 3g1a h ALA 212 Ca 0.53 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.34 3g1a h ALA 212 Cb 0.97 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3g1a h ALA 212 CO -0.50 -0.07 -0.12 0.00 0.00 0.00 0.00 179.25 178.56 3g1a h ALA 213 N 1.15 1.18 -0.19 0.00 0.00 -1.66 -0.19 119.26 119.55 3g1a h ALA 213 Ca 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3g1a h ALA 213 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3g1a h ALA 213 CO -0.04 0.53 0.05 0.00 0.00 0.00 0.00 179.25 179.78 3g1a h ALA 214 N 1.35 0.25 -0.39 0.00 0.00 -0.64 0.97 119.26 120.79 3g1a h ALA 214 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3g1a h ALA 214 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3g1a h ALA 214 CO 0.03 -0.11 0.11 0.00 0.00 0.00 0.00 179.25 179.28 3g1a h ALA 215 N 0.86 0.51 -1.00 0.00 0.00 -0.84 -1.72 119.26 117.07 3g1a h ALA 215 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3g1a h ALA 215 Cb 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3g1a h ALA 215 CO 0.00 0.17 0.66 0.00 0.00 0.00 0.00 179.25 180.08 3g1a h ALA 216 N 0.96 1.28 -0.37 0.00 0.00 -0.91 -1.63 119.26 118.59 3g1a h ALA 216 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3g1a h ALA 216 Cb 0.27 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3g1a h ALA 216 CO -0.00 0.64 0.14 0.78 0.00 0.00 0.00 179.25 180.82 3g1a h GLY 217 N 1.35 0.59 0.99 0.00 0.00 -0.46 -0.49 103.07 105.04 3g1a h GLY 217 Ca 0.37 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3g1a h GLY 217 CO -0.09 0.31 0.24 -2.22 0.00 0.00 0.00 176.54 174.78 3g1a h ILE 218 N 0.45 1.13 -0.76 2.60 2.04 -0.95 -1.98 117.51 120.03 3g1a h ILE 218 Ca 0.12 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3g1a h ILE 218 Cb 0.19 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3g1a h ILE 218 CO -0.01 0.13 0.36 0.40 0.00 0.00 0.00 178.15 179.02 3g1a h ILE 219 N 0.52 1.24 -0.91 -0.67 2.04 -1.14 -2.29 117.51 116.30 3g1a h ILE 219 Ca 0.14 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3g1a h ILE 219 Cb -0.01 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 3g1a h ILE 219 CO -0.03 0.29 0.58 -0.08 0.00 0.00 0.00 178.15 178.91 3g1a h GLU 220 N 1.07 1.20 0.00 2.37 4.57 -0.64 -0.77 114.58 122.39 3g1a h GLU 220 Ca 0.26 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3g1a h GLU 220 Cb 0.11 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3g1a h GLU 220 CO -0.03 0.81 0.00 0.66 -1.18 0.00 0.00 179.01 179.27 3g1a h SER 221 N 1.23 0.00 -0.02 1.04 4.64 -0.79 -2.85 113.55 116.81 3g1a h SER 221 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3g1a h SER 221 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3g1a h SER 221 CO -0.07 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.19 3g1a n ILE 222 N -2.85 1.71 -0.31 0.95 -5.35 -0.77 -4.79 119.36 107.95 3g1a n ILE 222 Ca 0.00 -1.97 0.20 0.00 -0.27 0.00 0.00 62.75 60.71 3g1a n ILE 222 Cb 0.24 -0.07 0.47 0.00 -1.74 0.00 0.00 39.64 38.53 3g1a n ILE 222 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3g1a h LYS 223 N 0.12 0.47 0.00 6.28 5.09 -0.92 0.29 116.57 127.90 3g1a h LYS 223 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.71 3g1a h LYS 223 Cb 0.91 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 33.14 3g1a h LYS 223 CO 0.01 0.31 0.00 -0.40 -2.09 0.00 0.00 179.45 177.28 3g1a n ASP 224 N -4.63 0.20 -0.89 7.07 3.85 -1.26 -5.11 116.55 115.78 3g1a n ASP 224 Ca 0.23 0.53 0.12 0.00 -0.71 0.00 0.00 54.79 54.97 3g1a n ASP 224 Cb 0.76 -0.58 0.16 0.00 -1.35 0.00 0.00 41.12 40.11 3g1a n ASP 224 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37