#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1a s MET 9 N 0.00 3.88 -0.85 7.34 0.23 -1.26 -4.92 119.30 123.71 3g1a s MET 9 Ca 0.00 2.44 -0.17 0.00 -1.03 0.00 0.00 55.69 56.93 3g1a s MET 9 Cb 0.00 -2.78 0.15 0.00 -1.53 0.00 0.00 34.83 30.67 3g1a s MET 9 CO 0.00 -0.67 0.96 0.34 -2.03 0.00 0.00 175.02 173.62 3g1a s ASP 10 N -0.40 6.61 -0.36 -1.18 2.15 -1.26 -5.01 116.67 117.21 3g1a s ASP 10 Ca 0.57 -2.15 -0.29 0.00 0.43 0.00 0.00 52.55 51.12 3g1a s ASP 10 Cb -0.44 -2.33 0.02 0.00 -0.30 0.00 0.00 42.92 39.87 3g1a s ASP 10 CO 0.58 -0.93 1.18 -0.69 -0.17 0.00 0.00 175.17 175.14 3g1a s VAL 11 N 1.93 4.28 0.22 1.11 1.01 -1.26 -4.98 120.40 122.71 3g1a s VAL 11 Ca 0.25 1.42 -0.32 0.00 0.00 0.00 0.00 61.98 63.33 3g1a s VAL 11 Cb -0.09 -4.38 -0.13 0.00 0.00 0.00 0.00 36.38 31.78 3g1a s VAL 11 CO -0.07 -0.64 1.62 0.80 0.00 0.00 0.00 175.10 176.81 3g1a n MET 12 N 7.34 2.50 -1.25 2.72 1.56 -1.26 -1.83 117.12 126.90 3g1a n MET 12 Ca 0.13 0.90 -0.10 0.00 -0.27 0.00 0.00 57.70 58.36 3g1a n MET 12 Cb 0.48 -2.69 -0.04 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 3.24 -5.15 -2.60 6.12 5.03 -1.26 -2.42 115.26 118.21 3g1a n ASN 13 Ca 0.14 0.25 -0.15 0.00 0.87 0.00 0.00 54.58 55.70 3g1a n ASN 13 Cb 0.33 -3.86 -0.00 0.00 -1.02 0.00 0.00 39.78 35.23 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 -0.80 -2.51 -4.04 3.52 1.74 -0.76 -4.94 116.66 108.88 3g1a n ARG 14 Ca -0.10 0.62 -0.28 0.00 -0.77 0.00 0.00 57.85 57.31 3g1a n ARG 14 Cb 0.54 -5.25 -0.17 0.00 -1.02 0.00 0.00 32.46 26.57 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 -5.81 1.44 -0.18 0.55 2.96 -1.02 -1.39 118.68 115.23 3g1a s LEU 15 Ca 0.07 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 3g1a s LEU 15 Cb -0.04 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 3g1a s LEU 15 CO 0.09 -0.07 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.36 3g1a s ILE 16 N 1.50 3.57 -0.12 6.68 1.01 0.26 -4.63 121.20 129.47 3g1a s ILE 16 Ca 0.03 -0.45 -0.28 0.00 0.00 0.00 0.00 60.65 59.95 3g1a s ILE 16 Cb -0.13 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 3g1a s ILE 16 CO -0.08 0.46 0.92 -0.22 0.00 0.00 0.00 174.94 176.03 3g1a s LEU 17 N 0.85 4.23 -0.70 2.97 2.96 -1.04 -0.78 118.68 127.17 3g1a s LEU 17 Ca -0.01 1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 55.09 3g1a s LEU 17 Cb -0.15 -3.41 0.11 0.00 0.50 0.00 0.00 46.19 43.25 3g1a s LEU 17 CO 0.01 -0.40 0.85 0.00 -1.32 0.00 0.00 176.35 175.49 3g1a s ALA 18 N 1.96 3.40 -1.03 5.97 0.00 0.09 -0.31 121.76 131.84 3g1a s ALA 18 Ca 0.44 -2.36 -0.19 0.00 0.00 0.00 0.00 51.96 49.85 3g1a s ALA 18 Cb -0.18 -3.71 0.12 0.00 0.00 0.00 0.00 23.12 19.35 3g1a s ALA 18 CO 0.16 -2.57 1.30 1.41 0.00 0.00 0.00 175.76 176.07 3g1a s MET 19 N 2.75 3.72 -0.21 0.00 1.75 -0.56 -4.36 119.30 122.39 3g1a s MET 19 Ca 0.19 -1.80 0.15 0.00 -1.25 0.00 0.00 55.69 52.98 3g1a s MET 19 Cb -0.17 -5.09 0.69 0.00 2.84 0.00 0.00 34.83 33.10 3g1a s MET 19 CO 0.02 -1.90 1.61 -0.25 -0.65 0.00 0.00 175.02 173.85 3g1a n ASP 20 N 7.03 4.93 -4.79 1.11 8.00 -1.26 -4.41 116.55 127.16 3g1a n ASP 20 Ca 0.30 -2.98 -0.34 0.00 0.71 0.00 0.00 54.79 52.48 3g1a n ASP 20 Cb 0.48 -0.63 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 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 -2.81 3.75 0.00 0.64 1.43 -1.26 -4.70 118.68 115.73 3g1a s LEU 21 Ca 0.49 2.04 0.17 0.00 -1.03 0.00 0.00 54.13 55.81 3g1a s LEU 21 Cb 0.39 -4.57 0.18 0.00 0.03 0.00 0.00 46.19 42.22 3g1a s LEU 21 CO 0.13 -1.06 1.10 0.23 0.23 0.00 0.00 176.35 176.97 3g1a n MET 22 N -1.29 1.61 -4.02 1.70 2.81 -1.26 -4.16 117.12 112.51 3g1a n MET 22 Ca 0.10 -1.65 -0.35 0.00 -1.81 0.00 0.00 57.70 53.99 3g1a n MET 22 Cb 0.52 -1.35 -0.11 0.00 -0.71 0.00 0.00 33.22 31.57 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 -1.39 5.22 0.14 7.83 3.84 -1.26 -4.69 114.94 124.63 3g1a s ASN 23 Ca 0.23 -0.08 -0.19 0.00 0.21 0.00 0.00 52.86 53.02 3g1a s ASN 23 Cb 0.15 -1.90 0.02 0.00 -0.55 0.00 0.00 41.25 38.97 3g1a s ASN 23 CO 0.22 0.10 1.68 -0.09 -2.79 0.00 0.00 177.10 176.22 3g1a h ARG 24 N 7.25 -0.03 -0.42 0.43 2.43 -1.95 0.12 114.38 122.22 3g1a h ARG 24 Ca -0.36 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.84 3g1a h ARG 24 Cb 1.18 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3g1a h ARG 24 CO 0.64 -0.02 0.22 -0.44 -1.51 0.00 0.00 179.97 178.85 3g1a h ASP 25 N -0.03 0.33 -0.32 -3.80 3.32 -1.99 -0.17 116.42 113.75 3g1a h ASP 25 Ca 0.13 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3g1a h ASP 25 Cb 0.23 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3g1a h ASP 25 CO -0.29 0.24 -0.15 0.44 -1.72 0.00 0.00 179.24 177.75 3g1a h ASP 26 N 0.44 0.68 -0.65 6.45 3.32 -1.92 -1.09 116.42 123.64 3g1a h ASP 26 Ca 0.18 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.84 3g1a h ASP 26 Cb 0.07 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3g1a h ASP 26 CO -0.11 0.94 0.42 0.00 -1.72 0.00 0.00 179.24 178.76 3g1a h ALA 27 N 0.77 0.84 -0.41 3.45 0.00 -0.52 -0.90 119.26 122.49 3g1a h ALA 27 Ca 0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3g1a h ALA 27 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3g1a h ALA 27 CO 0.05 0.21 -0.14 -0.07 0.00 0.00 0.00 179.25 179.30 3g1a h LEU 28 N 0.84 0.82 0.05 0.00 3.38 -0.98 -1.79 115.31 117.63 3g1a h LEU 28 Ca 0.25 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3g1a h LEU 28 Cb -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3g1a h LEU 28 CO -0.08 1.02 -0.02 -0.09 0.09 0.00 0.00 178.44 179.35 3g1a h ARG 29 N 0.62 -0.07 -0.44 1.13 2.43 -0.84 -1.05 114.38 116.17 3g1a h ARG 29 Ca 0.10 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3g1a h ARG 29 Cb 0.68 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3g1a h ARG 29 CO 0.05 0.05 0.14 0.28 -1.51 0.00 0.00 179.97 178.97 3g1a h VAL 30 N -0.16 1.22 -0.81 0.20 2.07 -1.20 -1.48 116.25 116.09 3g1a h VAL 30 Ca -0.01 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3g1a h VAL 30 Cb 0.14 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3g1a h VAL 30 CO 0.01 0.26 0.40 0.74 0.02 0.00 0.00 177.57 179.00 3g1a h THR 31 N 0.57 1.25 -0.48 2.57 2.02 -1.29 -2.25 112.91 115.29 3g1a h THR 31 Ca 0.14 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 3g1a h THR 31 Cb 0.26 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3g1a h THR 31 CO -0.01 0.30 0.13 1.23 0.37 0.00 0.00 175.52 177.54 3g1a h GLY 32 N 1.14 0.77 2.00 2.16 0.00 -0.86 -1.91 103.07 106.37 3g1a h GLY 32 Ca 0.28 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3g1a h GLY 32 CO -0.04 0.39 -0.23 0.83 0.00 0.00 0.00 176.54 177.49 3g1a h GLU 33 N 0.70 0.00 -0.30 4.80 5.08 -0.69 -2.96 114.58 121.23 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 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3g1a h GLU 33 CO -0.01 0.23 0.00 1.33 -1.00 0.00 0.00 179.01 179.57 3g1a n VAL 34 N -3.53 0.61 -0.33 3.13 0.24 -1.03 -4.47 118.33 112.95 3g1a n VAL 34 Ca -0.01 -0.81 0.21 0.00 -2.04 0.00 0.00 64.34 61.70 3g1a n VAL 34 Cb 0.39 0.82 0.48 0.00 -1.47 0.00 0.00 33.84 34.05 3g1a n VAL 34 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3g1a h ARG 35 N 2.83 0.43 0.00 7.34 2.43 -1.17 0.59 114.38 126.83 3g1a h ARG 35 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3g1a h ARG 35 Cb 0.74 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3g1a h ARG 35 CO 0.00 0.29 0.00 -0.85 -1.51 0.00 0.00 179.97 177.90 3g1a n GLU 36 N -4.68 0.07 -0.01 0.20 0.28 -1.26 -3.34 120.64 111.89 3g1a n GLU 36 Ca 0.25 0.22 0.05 0.00 -0.16 0.00 0.00 57.16 57.53 3g1a n GLU 36 Cb 0.84 -1.61 -0.09 0.00 1.43 0.00 0.00 31.44 32.00 3g1a n GLU 36 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3g1a n TYR 37 N -1.73 0.00 -4.23 -1.84 4.01 0.15 -5.01 117.16 108.51 3g1a n TYR 37 Ca 0.04 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.59 3g1a n TYR 37 Cb 0.25 -0.31 -0.16 0.00 -0.31 0.00 0.00 39.34 38.82 3g1a n TYR 37 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3g1a s ILE 38 N -2.78 0.58 -0.14 -0.72 1.01 -0.90 -4.53 121.20 113.72 3g1a s ILE 38 Ca -0.05 -0.21 0.13 0.00 0.00 0.00 0.00 60.65 60.53 3g1a s ILE 38 Cb 0.07 -0.56 0.23 0.00 0.01 0.00 0.00 42.46 42.22 3g1a s ILE 38 CO 0.50 0.21 1.14 -0.90 0.00 0.00 0.00 174.94 175.89 3g1a n ASP 39 N 3.62 2.43 -3.66 3.58 5.75 -1.26 -4.61 116.55 122.40 3g1a n ASP 39 Ca -0.21 -2.71 -0.20 0.00 -0.01 0.00 0.00 54.79 51.66 3g1a n ASP 39 Cb 0.53 -0.31 -0.18 0.00 -1.03 0.00 0.00 41.12 40.14 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 -2.23 -0.13 -0.07 2.12 2.01 -1.26 -1.05 115.64 115.03 3g1a s THR 40 Ca 0.23 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.67 3g1a s THR 40 Cb 0.20 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.50 3g1a s THR 40 CO 0.03 0.15 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.18 3g1a s VAL 41 N 2.18 1.96 -0.29 3.82 1.01 -0.40 -2.51 120.40 126.18 3g1a s VAL 41 Ca 0.05 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 3g1a s VAL 41 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3g1a s VAL 41 CO -0.04 0.55 0.23 -0.75 0.00 0.00 0.00 175.10 175.09 3g1a s LYS 42 N 0.02 3.90 -0.14 2.72 2.20 0.58 -1.40 119.74 127.61 3g1a s LYS 42 Ca -0.08 -0.29 -0.02 0.00 -0.36 0.00 0.00 55.97 55.22 3g1a s LYS 42 Cb -0.15 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 3g1a s LYS 42 CO 0.05 -0.24 -0.09 0.42 -0.36 0.00 0.00 175.35 175.13 3g1a s ILE 43 N 1.82 3.41 0.00 5.43 1.01 -0.16 -1.49 121.20 131.22 3g1a s ILE 43 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3g1a s ILE 43 Cb -0.16 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.84 3g1a s ILE 43 CO 0.11 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.16 3g1a n GLY 44 N 3.59 4.32 0.19 6.18 0.00 -1.26 -0.78 105.19 117.44 3g1a n GLY 44 Ca -0.18 -2.16 0.04 0.00 0.00 0.00 0.00 46.02 43.72 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 0.65 0.00 -0.73 1.61 0.05 -1.97 -2.14 116.97 114.44 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 0.35 0.41 -1.35 -1.05 0.00 0.00 178.16 176.51 3g1a h PRO 46 N 0.00 0.69 0.17 4.88 0.11 -1.93 0.60 132.00 136.52 3g1a h PRO 46 Ca -0.00 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.81 3g1a h PRO 46 Cb 0.68 -0.16 0.02 0.00 0.11 0.00 0.00 31.00 31.66 3g1a h PRO 46 CO 0.05 0.46 -1.18 1.25 -0.21 0.00 0.00 178.00 178.37 3g1a h LEU 47 N 0.71 0.57 -0.73 2.35 5.85 -1.70 -3.22 115.31 119.15 3g1a h LEU 47 Ca 0.34 -0.93 -0.04 0.00 0.84 0.00 0.00 57.88 58.10 3g1a h LEU 47 Cb 0.28 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3g1a h LEU 47 CO -0.22 1.55 0.30 0.58 -0.34 0.00 0.00 178.44 180.31 3g1a h VAL 48 N -0.19 1.25 0.00 1.05 2.07 -1.26 0.73 116.25 119.90 3g1a h VAL 48 Ca -0.22 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3g1a h VAL 48 Cb 1.84 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3g1a h VAL 48 CO 0.17 0.31 0.00 0.18 0.02 0.00 0.00 177.57 178.25 3g1a n LEU 49 N -4.36 0.70 -0.07 2.57 4.77 0.19 -0.08 117.00 120.73 3g1a n LEU 49 Ca 0.06 0.60 -0.12 0.00 -0.03 0.00 0.00 56.01 56.53 3g1a n LEU 49 Cb 0.17 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.68 3g1a n LEU 49 CO 0.40 -0.32 -0.93 -1.20 -1.33 0.00 0.00 177.39 174.01 3g1a n SER 50 N -2.20 0.81 0.00 -1.43 7.64 -0.92 -4.68 113.62 112.84 3g1a n SER 50 Ca 0.04 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.07 3g1a n SER 50 Cb 0.34 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 -3.00 3.90 0.00 1.43 -0.58 0.20 -5.00 120.64 117.58 3g1a n GLU 51 Ca -0.29 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 3g1a n GLU 51 Cb 1.09 -0.61 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 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 0.60 1.10 0.27 0.62 0.00 0.88 -4.55 105.19 104.12 3g1a n GLY 52 Ca 0.00 -1.79 0.18 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.12 114.93 115.34 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 -2.91 0.38 0.24 1.22 9.92 -1.26 -1.79 116.55 122.35 3g1a n ASP 54 Ca -0.01 0.62 0.08 0.00 -0.53 0.00 0.00 54.79 54.96 3g1a n ASP 54 Cb 0.19 -0.69 0.59 0.00 -0.64 0.00 0.00 41.12 40.57 3g1a n ASP 54 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3g1a h ILE 55 N 0.00 0.91 -0.34 0.53 6.09 -1.62 -0.20 117.51 122.89 3g1a h ILE 55 Ca 0.00 -0.61 -0.06 0.00 -1.37 0.00 0.00 64.86 62.82 3g1a h ILE 55 Cb 0.20 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 3g1a h ILE 55 CO 0.00 0.16 -0.01 0.40 -3.07 0.00 0.00 178.15 175.63 3g1a h ILE 56 N 0.00 1.26 -0.64 2.19 2.04 -1.59 -1.10 117.51 119.67 3g1a h ILE 56 Ca -0.00 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 3g1a h ILE 56 Cb 0.34 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3g1a h ILE 56 CO 0.02 0.32 0.37 0.00 0.00 0.00 0.00 178.15 178.87 3g1a h ALA 57 N 0.85 0.81 -0.66 1.87 0.00 -1.37 -1.91 119.26 118.86 3g1a h ALA 57 Ca 0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3g1a h ALA 57 Cb 0.46 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3g1a h ALA 57 CO 0.02 0.30 0.16 1.49 0.00 0.00 0.00 179.25 181.23 3g1a h GLU 58 N 0.86 1.04 -0.56 0.00 4.81 -0.84 -1.52 114.58 118.37 3g1a h GLU 58 Ca 0.23 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3g1a h GLU 58 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3g1a h GLU 58 CO -0.04 0.92 -0.03 0.74 -0.73 0.00 0.00 179.01 179.87 3g1a h PHE 59 N 0.99 1.08 -0.48 0.92 -1.00 -0.87 -0.51 116.94 117.08 3g1a h PHE 59 Ca 0.21 -0.19 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 3g1a h PHE 59 Cb 0.34 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 3g1a h PHE 59 CO 0.02 0.97 0.17 0.00 -1.61 0.00 0.00 178.31 177.87 3g1a h ARG 60 N 0.90 0.73 -0.34 1.51 2.47 -1.08 0.13 114.38 118.72 3g1a h ARG 60 Ca 0.16 -0.15 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 3g1a h ARG 60 Cb 0.56 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 3g1a h ARG 60 CO 0.03 0.68 0.00 -0.22 0.56 0.00 0.00 179.97 181.03 3g1a h LYS 61 N 0.64 0.60 0.12 0.04 3.64 -1.09 -3.31 116.57 117.21 3g1a h LYS 61 Ca 0.16 -0.19 -0.27 0.00 -1.27 0.00 0.00 60.65 59.08 3g1a h LYS 61 Cb 0.24 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3g1a h LYS 61 CO -0.01 0.72 -1.22 0.00 -2.27 0.00 0.00 179.45 176.67 3g1a h ARG 62 N 0.40 0.29 -5.92 1.90 3.08 -1.02 -3.47 114.38 109.65 3g1a h ARG 62 Ca 0.10 -0.47 -0.52 0.00 0.07 0.00 0.00 59.98 59.15 3g1a h ARG 62 Cb 0.45 0.17 -0.17 0.00 0.08 0.00 0.00 29.97 30.50 3g1a h ARG 62 CO 0.02 1.21 -0.78 -0.06 -1.07 0.00 0.00 179.97 179.29 3g1a s PHE 63 N -2.72 1.84 -1.19 3.04 0.08 0.46 -5.04 117.98 114.46 3g1a s PHE 63 Ca -0.04 -0.47 -0.04 0.00 0.12 0.00 0.00 56.93 56.49 3g1a s PHE 63 Cb 0.07 -0.91 0.22 0.00 -0.57 0.00 0.00 43.02 41.83 3g1a s PHE 63 CO 0.88 0.36 2.00 0.41 -0.10 0.00 0.00 175.22 178.77 3g1a n GLY 64 N 0.17 5.44 3.34 4.36 0.00 -1.26 -4.32 105.19 112.91 3g1a n GLY 64 Ca -0.12 -2.32 -0.30 0.00 0.00 0.00 0.00 46.02 43.28 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 -1.16 3.33 -0.12 0.00 0.52 -0.22 -4.76 118.95 116.54 3g1a s ARG 66 Ca 0.11 1.12 0.01 0.00 -0.52 0.00 0.00 55.73 56.46 3g1a s ARG 66 Cb -0.10 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.35 3g1a s ARG 66 CO 0.02 -0.79 -0.16 0.42 0.02 0.00 0.00 175.30 174.80 3g1a s ILE 67 N -2.60 1.58 -0.25 1.52 -1.09 -1.26 -1.28 121.20 117.82 3g1a s ILE 67 Ca 0.62 -0.68 -0.05 0.00 -2.23 0.00 0.00 60.65 58.31 3g1a s ILE 67 Cb -0.15 -1.45 -0.00 0.00 -1.58 0.00 0.00 42.46 39.28 3g1a s ILE 67 CO 0.40 0.46 0.01 -0.63 -1.23 0.00 0.00 174.94 173.95 3g1a s ILE 68 N 1.08 3.65 -0.50 2.92 1.01 -0.49 -0.81 121.20 128.06 3g1a s ILE 68 Ca -0.04 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 3g1a s ILE 68 Cb -0.14 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.60 3g1a s ILE 68 CO -0.04 0.29 0.89 0.00 0.00 0.00 0.00 174.94 176.08 3g1a s ALA 69 N 1.49 3.22 -1.22 9.38 0.00 0.10 -0.99 121.76 133.74 3g1a s ALA 69 Ca 0.04 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 3g1a s ALA 69 Cb -0.15 -3.63 0.15 0.00 0.00 0.00 0.00 23.12 19.48 3g1a s ALA 69 CO -0.01 -2.18 1.49 0.34 0.00 0.00 0.00 175.76 175.41 3g1a s ASP 70 N 2.52 7.00 0.00 0.00 -1.08 0.04 -1.31 116.67 123.85 3g1a s ASP 70 Ca 0.31 -2.83 0.18 0.00 -0.52 0.00 0.00 52.55 49.69 3g1a s ASP 70 Cb -0.12 -2.44 0.27 0.00 -1.46 0.00 0.00 42.92 39.17 3g1a s ASP 70 CO 0.22 -0.86 1.20 0.49 0.52 0.00 0.00 175.17 176.74 3g1a n PHE 71 N 6.31 0.26 -3.84 -5.34 3.72 -1.25 -4.03 117.46 113.28 3g1a n PHE 71 Ca 0.39 -0.17 -0.26 0.00 -0.05 0.00 0.00 57.45 57.36 3g1a n PHE 71 Cb 0.44 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.93 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 1.09 -0.78 -1.69 -1.08 5.02 -0.71 -4.67 118.16 115.34 3g1a n LYS 72 Ca 0.14 -0.01 -0.57 0.00 -2.02 0.00 0.00 58.31 55.85 3g1a n LYS 72 Cb 0.49 -2.08 -0.07 0.00 -0.02 0.00 0.00 35.03 33.35 3g1a n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g1a n VAL 73 N -3.61 0.25 -2.69 -0.18 0.31 -0.93 -4.37 118.33 107.12 3g1a n VAL 73 Ca -0.17 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 64.03 3g1a n VAL 73 Cb 0.45 -1.15 0.06 0.00 -0.91 0.00 0.00 33.84 32.29 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 4.88 2.47 -4.03 3.52 0.00 -1.26 -0.93 120.51 125.16 3g1a n ALA 74 Ca 0.25 -2.40 -0.03 0.00 0.00 0.00 0.00 53.44 51.26 3g1a n ALA 74 Cb 0.14 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.25 2.05 -4.78 0.00 2.03 -1.26 -4.98 116.55 109.35 3g1a n ASP 75 Ca 0.05 -1.21 -0.31 0.00 0.52 0.00 0.00 54.79 53.84 3g1a n ASP 75 Cb 0.83 0.03 0.09 0.00 -0.72 0.00 0.00 41.12 41.35 3g1a n ASP 75 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3g1a s ILE 76 N -1.10 3.37 0.20 5.18 -4.36 -1.26 -4.70 121.20 118.53 3g1a s ILE 76 Ca 0.00 0.44 -0.14 0.00 -0.26 0.00 0.00 60.65 60.70 3g1a s ILE 76 Cb -0.00 -3.04 0.20 0.00 1.25 0.00 0.00 42.46 40.87 3g1a s ILE 76 CO 0.00 -0.58 1.64 -0.65 0.24 0.00 0.00 174.94 175.59 3g1a h PRO 77 N -1.08 0.01 -0.54 0.37 0.11 -1.87 0.46 132.00 129.45 3g1a h PRO 77 Ca -0.45 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.72 3g1a h PRO 77 Cb 1.24 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3g1a h PRO 77 CO 0.55 0.01 0.25 1.49 -0.21 0.00 0.00 178.00 180.08 3g1a h GLU 78 N 0.01 0.47 -0.10 1.05 4.57 -1.95 -1.15 114.58 117.48 3g1a h GLU 78 Ca 0.28 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 58.23 3g1a h GLU 78 Cb 0.42 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3g1a h GLU 78 CO -0.58 0.31 -0.76 1.15 -1.18 0.00 0.00 179.01 177.95 3g1a h THR 79 N 0.48 1.34 -0.88 0.32 2.02 -1.80 -3.09 112.91 111.30 3g1a h THR 79 Ca 0.25 -2.09 0.04 0.00 0.77 0.00 0.00 66.41 65.38 3g1a h THR 79 Cb 0.20 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.63 3g1a h THR 79 CO -0.20 0.64 0.57 0.78 0.37 0.00 0.00 175.52 177.68 3g1a h ASN 80 N 0.38 0.93 -0.43 4.18 4.21 -0.42 -1.21 115.58 123.21 3g1a h ASN 80 Ca -0.04 -0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.48 3g1a h ASN 80 Cb 1.36 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 38.33 3g1a h ASN 80 CO 0.14 0.62 0.26 -0.33 -1.29 0.00 0.00 177.43 176.83 3g1a h GLU 81 N 1.08 0.50 -0.61 0.81 5.08 -1.17 -1.20 114.58 119.07 3g1a h GLU 81 Ca 0.36 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 3g1a h GLU 81 Cb 0.06 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3g1a h GLU 81 CO -0.13 0.33 0.25 0.87 -1.00 0.00 0.00 179.01 179.33 3g1a h LYS 82 N 0.52 0.91 -0.43 2.33 1.57 -1.33 -0.85 116.57 119.30 3g1a h LYS 82 Ca 0.17 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3g1a h LYS 82 Cb -0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3g1a h LYS 82 CO -0.07 0.77 0.23 0.82 -0.57 0.00 0.00 179.45 180.63 3g1a h ILE 83 N 0.85 1.16 -0.53 1.86 2.04 -0.95 -1.52 117.51 120.43 3g1a h ILE 83 Ca 0.21 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3g1a h ILE 83 Cb 0.19 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3g1a h ILE 83 CO -0.02 0.17 0.18 0.00 0.00 0.00 0.00 178.15 178.48 3g1a h ARG 85 N 0.73 0.43 -0.77 0.00 3.08 -0.95 -0.40 114.38 116.50 3g1a h ARG 85 Ca 0.17 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 3g1a h ARG 85 Cb 0.26 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3g1a h ARG 85 CO -0.01 0.28 0.29 0.00 -1.07 0.00 0.00 179.97 179.46 3g1a h ALA 86 N 1.12 1.06 -0.32 0.04 0.00 -1.15 -0.70 119.26 119.31 3g1a h ALA 86 Ca 0.12 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3g1a h ALA 86 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3g1a h ALA 86 CO -0.03 0.66 -0.11 1.15 0.00 0.00 0.00 179.25 180.92 3g1a h THR 87 N 1.13 1.28 -0.08 0.00 2.02 -0.89 -2.41 112.91 113.96 3g1a h THR 87 Ca 0.26 -1.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.10 3g1a h THR 87 Cb 0.24 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3g1a h THR 87 CO -0.02 0.38 -0.62 -0.26 0.37 0.00 0.00 175.52 175.38 3g1a h PHE 88 N 0.42 0.37 -0.36 3.16 0.04 -0.99 -2.74 116.94 116.83 3g1a h PHE 88 Ca 0.08 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 3g1a h PHE 88 Cb 0.62 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 3g1a h PHE 88 CO 0.05 0.83 0.22 -0.22 -0.60 0.00 0.00 178.31 178.59 3g1a h LYS 89 N 0.21 0.49 0.00 1.51 3.64 -1.01 -1.23 116.57 120.17 3g1a h LYS 89 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3g1a h LYS 89 Cb 1.14 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3g1a h LYS 89 CO 0.10 0.34 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 3g1a n ALA 90 N -2.48 1.99 0.00 5.00 0.00 -0.92 -4.90 120.51 119.21 3g1a n ALA 90 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g1a n ALA 90 Cb 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.72 1.14 3.74 0.00 0.00 -0.47 -4.23 105.19 106.10 3g1a n GLY 91 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 3.47 0.13 4.61 0.00 -1.11 -4.81 121.76 122.05 3g1a s ALA 92 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.00 3g1a s ALA 92 Cb 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 3g1a s ALA 92 CO 0.00 -0.43 1.30 -0.44 0.00 0.00 0.00 175.76 176.19 3g1a h ASP 93 N 4.96 0.29 -5.23 0.00 3.32 -1.33 -3.42 116.42 115.00 3g1a h ASP 93 Ca -0.45 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.25 3g1a h ASP 93 Cb 1.21 -0.09 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 3g1a h ASP 93 CO 0.74 1.11 -0.26 0.00 -1.72 0.00 0.00 179.24 179.11 3g1a s ALA 94 N -3.01 -0.16 0.01 3.45 0.00 -1.05 -2.17 121.76 118.82 3g1a s ALA 94 Ca -0.03 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3g1a s ALA 94 Cb 0.09 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 3g1a s ALA 94 CO 0.84 -0.68 -0.03 -1.50 0.00 0.00 0.00 175.76 174.40 3g1a s ILE 95 N -3.95 0.21 -0.17 0.00 2.07 -0.57 -0.73 121.20 118.06 3g1a s ILE 95 Ca 0.16 -0.36 -0.15 0.00 -1.41 0.00 0.00 60.65 58.90 3g1a s ILE 95 Cb 0.02 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 42.34 3g1a s ILE 95 CO -0.00 -0.10 0.33 -0.63 -1.91 0.00 0.00 174.94 172.63 3g1a s ILE 96 N -0.46 5.27 -0.01 2.00 1.01 -0.43 -0.83 121.20 127.76 3g1a s ILE 96 Ca -0.03 0.61 0.07 0.00 0.00 0.00 0.00 60.65 61.30 3g1a s ILE 96 Cb -0.04 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 3g1a s ILE 96 CO -0.00 0.34 -0.23 -0.69 0.00 0.00 0.00 174.94 174.36 3g1a s VAL 97 N 0.76 1.80 0.31 2.92 1.01 0.20 -1.74 120.40 125.66 3g1a s VAL 97 Ca 0.17 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 3g1a s VAL 97 Cb -0.14 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 3g1a s VAL 97 CO 0.06 0.49 1.00 -1.00 0.00 0.00 0.00 175.10 175.65 3g1a s HIS 98 N -0.55 3.67 -0.15 5.22 3.76 -0.11 -0.78 115.29 126.35 3g1a s HIS 98 Ca 0.09 1.78 0.22 0.00 -0.15 0.00 0.00 55.06 57.00 3g1a s HIS 98 Cb -0.09 -3.06 -0.21 0.00 1.11 0.00 0.00 32.58 30.33 3g1a s HIS 98 CO -0.01 -0.04 0.69 0.41 -0.85 0.00 0.00 174.74 174.94 3g1a n GLY 99 N 0.91 -1.15 0.29 -2.22 0.00 -1.17 -4.44 105.19 97.41 3g1a n GLY 99 Ca 0.01 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.72 3g1a n GLY 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3g1a h PHE 100 N 0.00 0.00 0.00 1.61 -5.15 -1.90 -1.69 116.94 109.80 3g1a h PHE 100 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3g1a h PHE 100 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.14 3g1a h PHE 100 CO 0.00 0.00 0.00 -2.30 -2.00 0.00 0.00 178.31 174.01 3g1a n PRO 101 N -4.15 0.34 0.00 6.09 -0.02 -1.26 -4.97 135.00 131.03 3g1a n PRO 101 Ca -0.02 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3g1a n PRO 101 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 0.18 2.08 0.24 -1.23 0.00 -0.64 -4.65 105.19 101.16 3g1a n GLY 102 Ca 0.10 -2.05 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 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 0.70 -0.91 4.61 0.00 -1.94 -2.62 119.26 119.11 3g1a h ALA 103 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3g1a h ALA 103 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3g1a h ALA 103 CO 0.00 0.27 0.51 0.38 0.00 0.00 0.00 179.25 180.40 3g1a h ASP 104 N 0.73 1.12 -0.29 0.00 2.03 -1.99 0.15 116.42 118.18 3g1a h ASP 104 Ca 0.19 -0.09 -0.08 0.00 -0.73 0.00 0.00 57.03 56.32 3g1a h ASP 104 Cb 0.12 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.32 3g1a h ASP 104 CO -0.02 0.89 -0.07 0.28 -1.03 0.00 0.00 179.24 179.29 3g1a h SER 105 N 1.26 0.66 -0.11 4.15 0.02 -1.79 -1.46 113.55 116.28 3g1a h SER 105 Ca 0.32 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 3g1a h SER 105 Cb 0.01 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.38 3g1a h SER 105 CO -0.05 0.77 -0.45 0.58 -1.14 0.00 0.00 176.83 176.54 3g1a h VAL 106 N 0.63 1.37 -0.79 2.27 2.07 -1.03 -3.18 116.25 117.58 3g1a h VAL 106 Ca 0.12 -1.77 0.08 0.00 0.82 0.00 0.00 66.70 65.95 3g1a h VAL 106 Cb 0.49 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 3g1a h VAL 106 CO 0.03 0.53 0.52 -0.09 0.02 0.00 0.00 177.57 178.57 3g1a h ARG 107 N 0.09 0.77 -0.89 1.57 9.65 -0.55 -0.81 114.38 124.20 3g1a h ARG 107 Ca -0.02 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3g1a h ARG 107 Cb 1.08 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 29.45 3g1a h ARG 107 CO 0.09 0.51 0.56 0.00 2.80 0.00 0.00 179.97 183.93 3g1a h ALA 108 N 1.59 1.14 -0.26 2.80 0.00 -1.25 0.19 119.26 123.46 3g1a h ALA 108 Ca 0.36 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 3g1a h ALA 108 Cb 0.35 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g1a h ALA 108 CO -0.13 0.58 -0.23 0.00 0.00 0.00 0.00 179.25 179.47 3g1a h LEU 110 N 0.35 1.09 -0.43 0.00 3.38 -0.82 -0.86 115.31 118.02 3g1a h LEU 110 Ca 0.05 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3g1a h LEU 110 Cb 0.78 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3g1a h LEU 110 CO 0.06 0.79 0.17 0.78 0.09 0.00 0.00 178.44 180.33 3g1a h ASN 111 N 1.29 0.58 -0.42 -0.43 2.35 -0.89 -0.34 115.58 117.72 3g1a h ASN 111 Ca 0.35 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 3g1a h ASN 111 Cb -0.13 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3g1a h ASN 111 CO -0.08 0.59 0.00 0.58 -1.65 0.00 0.00 177.43 176.87 3g1a h VAL 112 N 0.55 1.26 -0.89 2.81 2.07 -1.23 -1.58 116.25 119.24 3g1a h VAL 112 Ca 0.14 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3g1a h VAL 112 Cb 0.18 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3g1a h VAL 112 CO -0.01 0.35 0.59 0.00 0.02 0.00 0.00 177.57 178.51 3g1a h ALA 113 N 0.90 1.12 -0.20 1.67 0.00 -0.98 0.11 119.26 121.88 3g1a h ALA 113 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3g1a h ALA 113 Cb 0.48 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3g1a h ALA 113 CO 0.02 0.53 0.06 1.49 0.00 0.00 0.00 179.25 181.35 3g1a h GLU 114 N 1.20 0.31 0.00 0.00 4.57 -0.85 0.48 114.58 120.30 3g1a h GLU 114 Ca 0.32 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.34 3g1a h GLU 114 Cb -0.14 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 3g1a h GLU 114 CO -0.07 0.42 -0.45 1.05 -1.18 0.00 0.00 179.01 178.78 3g1a h GLU 115 N 0.15 0.00 -0.10 1.92 4.11 -0.96 -3.09 114.58 116.60 3g1a h GLU 115 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3g1a h GLU 115 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3g1a h GLU 115 CO -0.00 0.45 0.00 -1.33 0.07 0.00 0.00 179.01 178.20 3g1a n MET 116 N -3.80 2.16 -2.50 1.06 2.81 0.35 -4.97 117.12 112.23 3g1a n MET 116 Ca -0.01 -1.70 -0.11 0.00 -1.81 0.00 0.00 57.70 54.07 3g1a n MET 116 Cb 0.50 -1.47 0.01 0.00 -0.71 0.00 0.00 33.22 31.55 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 1.32 0.01 1.49 3.03 0.00 -0.09 -5.03 105.19 105.91 3g1a n GLY 117 Ca 0.16 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.31 1.19 -4.35 1.61 5.12 -0.03 -5.04 116.66 112.85 3g1a n ARG 118 Ca -0.08 -1.52 -0.26 0.00 -1.93 0.00 0.00 57.85 54.06 3g1a n ARG 118 Cb 0.58 0.58 -0.12 0.00 -1.16 0.00 0.00 32.46 32.33 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 -2.72 1.30 -0.09 5.56 0.41 -0.92 -4.42 118.70 117.80 3g1a s GLU 119 Ca 0.04 -1.31 0.01 0.00 -0.41 0.00 0.00 54.97 53.30 3g1a s GLU 119 Cb 0.00 -1.64 -0.02 0.00 -1.78 0.00 0.00 34.13 30.69 3g1a s GLU 119 CO 0.03 0.38 -0.11 0.08 -0.49 0.00 0.00 175.26 175.14 3g1a s VAL 120 N -1.28 3.31 -0.18 2.63 1.01 -1.26 -1.51 120.40 123.13 3g1a s VAL 120 Ca 0.12 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 3g1a s VAL 120 Cb -0.09 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3g1a s VAL 120 CO 0.06 0.56 -0.08 -0.36 0.00 0.00 0.00 175.10 175.28 3g1a s PHE 121 N -0.24 2.92 -0.27 5.22 0.08 -0.01 -4.05 117.98 121.63 3g1a s PHE 121 Ca 0.02 -0.77 -0.15 0.00 0.12 0.00 0.00 56.93 56.16 3g1a s PHE 121 Cb -0.13 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 3g1a s PHE 121 CO 0.03 -0.37 0.36 -1.17 -0.10 0.00 0.00 175.22 173.97 3g1a s LEU 122 N 0.94 4.04 -0.35 -0.37 2.96 0.13 -0.63 118.68 125.40 3g1a s LEU 122 Ca -0.01 0.28 -0.25 0.00 -0.22 0.00 0.00 54.13 53.92 3g1a s LEU 122 Cb -0.15 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.15 3g1a s LEU 122 CO 0.00 -0.17 0.90 -0.22 -1.32 0.00 0.00 176.35 175.54 3g1a s LEU 123 N 2.02 4.03 0.00 -0.68 2.96 0.04 -0.87 118.68 126.17 3g1a s LEU 123 Ca 0.15 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 3g1a s LEU 123 Cb -0.16 -3.22 0.00 0.00 0.50 0.00 0.00 46.19 43.31 3g1a s LEU 123 CO 0.10 -0.80 0.00 0.35 -1.32 0.00 0.00 176.35 174.67 3g1a n THR 124 N 5.87 0.00 -4.00 3.68 -2.24 -0.95 -3.04 114.28 113.59 3g1a n THR 124 Ca 0.06 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.53 3g1a n THR 124 Cb 0.48 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.00 3.12 0.27 -0.78 2.12 -1.26 -4.82 118.70 117.35 3g1a s GLU 125 Ca 0.00 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 54.81 3g1a s GLU 125 Cb 0.00 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 3g1a s GLU 125 CO 0.00 0.60 0.41 -1.64 -0.54 0.00 0.00 175.26 174.08 3g1a s MET 126 N -2.33 3.39 0.23 4.30 -1.94 -1.26 -3.68 119.30 118.01 3g1a s MET 126 Ca 0.30 -0.74 0.24 0.00 -1.71 0.00 0.00 55.69 53.78 3g1a s MET 126 Cb -0.12 -2.85 0.38 0.00 2.01 0.00 0.00 34.83 34.25 3g1a s MET 126 CO 0.23 0.33 1.43 0.66 -0.01 0.00 0.00 175.02 177.65 3g1a h SER 127 N 1.06 0.00 -4.26 3.03 4.64 -1.93 -3.44 113.55 112.66 3g1a h SER 127 Ca -0.51 -0.07 -0.50 0.00 -0.47 0.00 0.00 61.79 60.24 3g1a h SER 127 Cb 1.23 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.38 3g1a h SER 127 CO 0.60 0.04 0.37 -1.38 -0.87 0.00 0.00 176.83 175.59 3g1a s HIS 128 N -3.20 3.55 0.24 4.77 -3.43 -1.26 -4.75 115.29 111.20 3g1a s HIS 128 Ca 0.06 1.16 -0.05 0.00 -0.80 0.00 0.00 55.06 55.43 3g1a s HIS 128 Cb 0.11 -2.74 0.43 0.00 -1.43 0.00 0.00 32.58 28.94 3g1a s HIS 128 CO 0.70 -0.74 1.73 -1.35 -2.00 0.00 0.00 174.74 173.07 3g1a h PRO 129 N -0.32 0.41 -0.01 -0.38 0.11 -2.01 -1.57 132.00 128.23 3g1a h PRO 129 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3g1a h PRO 129 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3g1a h PRO 129 CO 0.62 0.27 0.08 0.78 -0.21 0.00 0.00 178.00 179.55 3g1a h GLY 130 N 0.42 0.00 2.00 -0.55 0.00 -1.97 -1.95 103.07 101.02 3g1a h GLY 130 Ca 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 3g1a h GLY 130 CO -0.40 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.14 3g1a h ALA 131 N 1.84 1.17 0.00 3.60 0.00 -1.58 -1.86 119.26 122.42 3g1a h ALA 131 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g1a h ALA 131 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3g1a h ALA 131 CO -0.00 0.01 0.00 0.93 0.00 0.00 0.00 179.25 180.19 3g1a h GLU 132 N 0.00 0.00 -0.09 0.00 5.08 -1.54 -0.09 114.58 117.94 3g1a h GLU 132 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3g1a h GLU 132 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3g1a h GLU 132 CO 0.00 0.00 -0.04 0.52 -1.00 0.00 0.00 179.01 178.49 3g1a h MET 133 N 0.00 0.18 0.00 2.33 2.86 -1.55 -3.42 114.93 115.33 3g1a h MET 133 Ca 0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3g1a h MET 133 Cb 0.64 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3g1a h MET 133 CO 0.00 0.53 -0.40 1.19 1.06 0.00 0.00 176.91 179.29 3g1a n PHE 134 N -4.76 0.00 -0.06 -0.22 3.72 -1.25 -4.89 117.46 110.00 3g1a n PHE 134 Ca -0.07 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.23 3g1a n PHE 134 Cb 0.26 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.75 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 1.18 -0.68 4.37 2.04 -1.79 -3.23 117.51 119.39 3g1a h ILE 135 Ca 0.00 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.41 3g1a h ILE 135 Cb 0.40 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 3g1a h ILE 135 CO 0.00 0.18 0.27 -0.61 0.00 0.00 0.00 178.15 177.99 3g1a h GLN 136 N 0.17 0.44 0.00 2.37 4.15 -1.26 -0.00 115.11 120.97 3g1a h GLN 136 Ca 0.07 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 3g1a h GLN 136 Cb 0.21 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 3g1a h GLN 136 CO -0.00 0.29 -0.01 0.78 -1.93 0.00 0.00 178.83 177.95 3g1a h GLY 137 N 0.45 0.00 -0.16 2.39 0.00 -1.84 -2.70 103.07 101.22 3g1a h GLY 137 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3g1a h GLY 137 CO -0.34 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 175.59 3g1a n ALA 138 N -2.11 3.73 -0.10 3.60 0.00 -0.46 -4.72 120.51 120.45 3g1a n ALA 138 Ca -0.01 -0.44 -0.06 0.00 0.00 0.00 0.00 53.44 52.93 3g1a n ALA 138 Cb 0.19 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 19.11 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 2.20 0.19 -0.97 0.00 0.00 -0.70 0.32 119.26 120.29 3g1a h ALA 139 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3g1a h ALA 139 Cb 0.38 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3g1a h ALA 139 CO 0.00 -0.49 0.61 -0.44 0.00 0.00 0.00 179.25 178.93 3g1a h ASP 140 N -0.05 1.14 -0.03 0.00 3.32 -1.85 0.08 116.42 119.05 3g1a h ASP 140 Ca 0.18 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 3g1a h ASP 140 Cb 0.31 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3g1a h ASP 140 CO -0.39 0.86 -0.53 -0.08 -1.72 0.00 0.00 179.24 177.38 3g1a h GLU 141 N 1.32 0.60 -0.74 3.56 4.81 -1.76 -1.03 114.58 121.35 3g1a h GLU 141 Ca 0.35 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3g1a h GLU 141 Cb -0.10 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3g1a h GLU 141 CO -0.07 0.98 0.32 0.82 -0.73 0.00 0.00 179.01 180.33 3g1a h ILE 142 N 0.47 1.25 -0.26 2.32 2.04 -0.40 0.79 117.51 123.72 3g1a h ILE 142 Ca 0.01 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3g1a h ILE 142 Cb 1.07 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3g1a h ILE 142 CO 0.10 0.31 0.07 0.00 0.00 0.00 0.00 178.15 178.63 3g1a h ALA 143 N 1.16 0.34 -0.78 1.87 0.00 -0.81 -0.58 119.26 120.45 3g1a h ALA 143 Ca 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3g1a h ALA 143 Cb 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3g1a h ALA 143 CO -0.02 -0.01 0.46 -0.09 0.00 0.00 0.00 179.25 179.58 3g1a h ARG 144 N 0.25 1.06 -0.49 0.00 2.43 -0.87 -1.22 114.38 115.54 3g1a h ARG 144 Ca 0.08 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3g1a h ARG 144 Cb 0.27 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3g1a h ARG 144 CO -0.00 0.75 0.25 1.98 -1.51 0.00 0.00 179.97 181.44 3g1a h MET 145 N 1.08 0.70 -0.65 0.20 4.05 -0.55 -0.92 114.93 118.85 3g1a h MET 145 Ca 0.28 -0.10 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 3g1a h MET 145 Cb -0.03 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.60 3g1a h MET 145 CO -0.05 0.58 0.40 0.78 0.23 0.00 0.00 176.91 178.85 3g1a h GLY 146 N 0.65 0.94 0.99 1.39 0.00 -0.17 0.30 103.07 107.16 3g1a h GLY 146 Ca 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3g1a h GLY 146 CO -0.02 0.25 0.27 -2.08 0.00 0.00 0.00 176.54 174.96 3g1a h VAL 147 N 0.79 1.21 -0.10 4.60 2.07 -0.82 0.03 116.25 124.03 3g1a h VAL 147 Ca 0.26 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 3g1a h VAL 147 Cb 0.03 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3g1a h VAL 147 CO -0.11 0.24 -0.15 -0.78 0.02 0.00 0.00 177.57 176.79 3g1a h ASP 148 N 0.79 0.15 0.63 0.57 3.58 -0.55 -1.99 116.42 119.60 3g1a h ASP 148 Ca 0.20 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3g1a h ASP 148 Cb 0.13 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.14 3g1a h ASP 148 CO -0.02 0.32 -0.11 0.18 -2.88 0.00 0.00 179.24 176.73 3g1a n LEU 149 N -4.28 0.22 0.00 2.28 4.77 0.04 -4.92 117.00 115.10 3g1a n LEU 149 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3g1a n LEU 149 Cb 0.26 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3g1a n LEU 149 CO 0.37 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3g1a n GLY 150 N 1.38 0.77 3.74 -0.72 0.00 -0.75 -5.04 105.19 104.58 3g1a n GLY 150 Ca 0.11 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 2.46 -0.08 1.61 1.01 -0.07 -4.91 120.40 118.41 3g1a s VAL 151 Ca 0.00 0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.45 3g1a s VAL 151 Cb 0.00 -3.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.00 3g1a s VAL 151 CO 0.00 0.06 0.23 0.29 0.00 0.00 0.00 175.10 175.68 3g1a n LYS 152 N 2.39 0.92 -4.97 2.72 5.02 -1.26 -4.60 118.16 118.38 3g1a n LYS 152 Ca 0.08 -0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 3g1a n LYS 152 Cb 0.39 -1.16 -0.15 0.00 -0.02 0.00 0.00 35.03 34.09 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 -2.83 3.73 0.09 4.39 0.01 -1.26 -0.42 114.94 118.64 3g1a s ASN 153 Ca -0.02 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 51.80 3g1a s ASN 153 Cb 0.06 -1.11 -0.04 0.00 0.41 0.00 0.00 41.25 40.57 3g1a s ASN 153 CO 0.37 0.25 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.85 3g1a s TYR 154 N -0.19 0.81 -0.09 2.20 2.02 0.64 -0.69 117.35 122.06 3g1a s TYR 154 Ca -0.01 -0.91 0.03 0.00 -0.37 0.00 0.00 57.07 55.80 3g1a s TYR 154 Cb -0.13 -0.49 0.01 0.00 -0.40 0.00 0.00 41.96 40.95 3g1a s TYR 154 CO 0.03 -0.18 -0.17 0.08 -1.57 0.00 0.00 175.55 173.74 3g1a s VAL 155 N -3.53 1.54 0.07 0.71 1.01 -0.05 -1.21 120.40 118.94 3g1a s VAL 155 Ca 0.10 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3g1a s VAL 155 Cb 0.05 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3g1a s VAL 155 CO -0.05 0.45 -0.05 -0.83 0.00 0.00 0.00 175.10 174.61 3g1a s GLY 156 N 0.63 0.61 -0.05 4.51 0.00 -0.84 -2.25 107.32 109.93 3g1a s GLY 156 Ca -0.14 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 3g1a s GLY 156 CO 0.04 -1.31 1.16 2.56 0.00 0.00 0.00 173.10 175.55 3g1a s PRO 157 N -3.53 4.38 0.44 2.90 0.04 -1.24 -3.64 135.00 134.35 3g1a s PRO 157 Ca 0.07 1.62 0.24 0.00 0.04 0.00 0.00 61.00 62.97 3g1a s PRO 157 Cb 0.04 -3.53 0.47 0.00 0.04 0.00 0.00 34.50 31.53 3g1a s PRO 157 CO -0.06 -0.39 1.65 0.66 0.04 0.00 0.00 177.00 178.91 3g1a h SER 158 N 7.30 0.00 0.72 6.66 4.64 -1.68 -3.17 113.55 128.02 3g1a h SER 158 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3g1a h SER 158 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3g1a h SER 158 CO 0.86 0.06 0.00 0.35 -0.87 0.00 0.00 176.83 177.23 3g1a n THR 159 N -3.12 0.82 -3.57 2.95 -2.24 -1.26 -3.99 114.28 103.87 3g1a n THR 159 Ca 0.03 0.18 -0.27 0.00 -2.27 0.00 0.00 64.05 61.72 3g1a n THR 159 Cb 0.52 -1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 67.62 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 -1.95 0.82 -0.32 -0.78 1.74 -1.20 -4.97 116.66 110.01 3g1a n ARG 160 Ca 0.03 -3.67 0.17 0.00 -0.77 0.00 0.00 57.85 53.61 3g1a n ARG 160 Cb 0.23 -1.89 0.37 0.00 -1.02 0.00 0.00 32.46 30.15 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 5.49 0.37 -0.82 5.56 0.11 -1.78 0.89 132.00 141.83 3g1a h PRO 161 Ca 0.22 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 3g1a h PRO 161 Cb 0.85 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.84 3g1a h PRO 161 CO 0.50 0.25 0.35 1.05 -0.21 0.00 0.00 178.00 179.94 3g1a h GLU 162 N 0.38 1.20 -0.16 1.05 9.09 -1.94 0.01 114.58 124.22 3g1a h GLU 162 Ca 0.63 -0.20 -0.21 0.00 0.05 0.00 0.00 59.36 59.63 3g1a h GLU 162 Cb 1.29 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 3g1a h GLU 162 CO -0.56 0.95 -0.73 0.00 0.05 0.00 0.00 179.01 178.72 3g1a h ARG 163 N 1.18 0.71 -0.68 1.06 2.47 -1.27 -2.48 114.38 115.37 3g1a h ARG 163 Ca 0.28 -0.55 -0.07 0.00 -1.26 0.00 0.00 59.98 58.37 3g1a h ARG 163 Cb 0.18 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.58 3g1a h ARG 163 CO -0.03 1.17 0.14 1.25 0.56 0.00 0.00 179.97 183.06 3g1a h LEU 164 N 0.50 1.06 -0.53 3.04 5.85 -0.78 -1.21 115.31 123.23 3g1a h LEU 164 Ca -0.04 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3g1a h LEU 164 Cb 1.34 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3g1a h LEU 164 CO 0.14 1.03 0.25 -1.28 -0.34 0.00 0.00 178.44 178.24 3g1a h SER 165 N 1.04 0.70 -0.63 1.25 0.87 -0.96 -1.39 113.55 114.44 3g1a h SER 165 Ca 0.21 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3g1a h SER 165 Cb 0.40 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3g1a h SER 165 CO 0.01 0.65 0.10 -0.09 -0.53 0.00 0.00 176.83 176.96 3g1a h ARG 166 N 0.71 1.07 -0.67 2.24 9.65 -1.14 -1.97 114.38 124.27 3g1a h ARG 166 Ca 0.18 -0.28 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 3g1a h ARG 166 Cb 0.14 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 3g1a h ARG 166 CO -0.02 0.98 0.38 1.25 2.80 0.00 0.00 179.97 185.36 3g1a h LEU 167 N 1.00 0.82 -0.98 3.80 5.85 -0.94 -1.05 115.31 123.81 3g1a h LEU 167 Ca 0.20 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3g1a h LEU 167 Cb 0.43 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3g1a h LEU 167 CO 0.01 0.67 0.55 -0.09 -0.34 0.00 0.00 178.44 179.24 3g1a h ARG 168 N 0.91 1.25 -0.15 1.25 9.65 -0.95 -1.64 114.38 124.69 3g1a h ARG 168 Ca 0.24 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3g1a h ARG 168 Cb 0.02 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 3g1a h ARG 168 CO -0.04 0.88 0.06 0.93 2.80 0.00 0.00 179.97 184.60 3g1a h GLU 169 N 1.27 0.23 -0.32 0.20 5.08 -0.61 -0.90 114.58 119.52 3g1a h GLU 169 Ca 0.33 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 3g1a h GLU 169 Cb -0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3g1a h GLU 169 CO -0.06 0.32 0.17 0.82 -1.00 0.00 0.00 179.01 179.25 3g1a h ILE 170 N 0.09 1.00 0.00 3.13 2.04 -0.86 -2.84 117.51 120.06 3g1a h ILE 170 Ca 0.05 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3g1a h ILE 170 Cb 0.17 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3g1a h ILE 170 CO -0.00 0.06 0.00 0.16 0.00 0.00 0.00 178.15 178.37 3g1a h ILE 171 N 0.35 0.00 0.00 -0.67 3.07 -1.28 -3.48 117.51 115.50 3g1a h ILE 171 Ca 0.13 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 65.95 3g1a h ILE 171 Cb 0.04 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 3g1a h ILE 171 CO -0.09 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.62 3g1a n GLY 172 N 1.22 -1.25 0.23 0.16 0.00 -0.35 -4.17 105.19 101.04 3g1a n GLY 172 Ca 0.05 -1.59 0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 1.61 1.08 -1.89 -3.10 115.11 112.81 3g1a h GLN 173 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 3g1a h GLN 173 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3g1a h GLN 173 CO 0.00 0.21 -0.50 -0.44 -0.95 0.00 0.00 178.83 177.14 3g1a h ASP 174 N 0.00 0.00 -4.22 1.46 3.45 -1.96 -3.45 116.42 111.69 3g1a h ASP 174 Ca -0.00 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.95 3g1a h ASP 174 Cb 0.56 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 39.44 3g1a h ASP 174 CO 0.03 0.50 0.36 -0.44 -1.57 0.00 0.00 179.24 178.12 3g1a s SER 175 N -6.51 4.91 -0.18 6.45 0.01 -1.17 -5.00 113.70 112.21 3g1a s SER 175 Ca 0.01 1.98 -0.10 0.00 1.31 0.00 0.00 55.95 59.15 3g1a s SER 175 Cb 0.10 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 3g1a s SER 175 CO 0.72 -1.76 0.15 0.12 0.41 0.00 0.00 173.24 172.88 3g1a s PHE 176 N -2.45 3.45 -0.08 2.43 5.36 0.44 -4.99 117.98 122.14 3g1a s PHE 176 Ca 0.66 0.40 0.01 0.00 -0.96 0.00 0.00 56.93 57.04 3g1a s PHE 176 Cb -0.20 -2.15 0.02 0.00 -0.34 0.00 0.00 43.02 40.35 3g1a s PHE 176 CO 0.45 0.36 -0.07 -1.17 -1.46 0.00 0.00 175.22 173.33 3g1a s LEU 177 N 0.13 1.30 0.13 6.12 2.96 -1.26 -0.26 118.68 127.80 3g1a s LEU 177 Ca 0.10 -0.23 0.09 0.00 -0.22 0.00 0.00 54.13 53.87 3g1a s LEU 177 Cb -0.11 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 3g1a s LEU 177 CO -0.00 -0.06 -0.18 0.27 -1.32 0.00 0.00 176.35 175.05 3g1a s ILE 178 N 1.20 2.80 -0.04 6.68 -4.36 -0.35 0.20 121.20 127.32 3g1a s ILE 178 Ca -0.05 -1.58 -0.01 0.00 -0.26 0.00 0.00 60.65 58.75 3g1a s ILE 178 Cb -0.14 -2.29 0.03 0.00 1.25 0.00 0.00 42.46 41.30 3g1a s ILE 178 CO -0.02 0.06 0.03 -0.55 0.24 0.00 0.00 174.94 174.70 3g1a s SER 179 N -2.24 1.00 0.59 4.36 0.15 -0.52 -1.99 113.70 115.04 3g1a s SER 179 Ca 0.19 0.00 0.05 0.00 0.70 0.00 0.00 55.95 56.89 3g1a s SER 179 Cb -0.10 -0.24 0.08 0.00 -1.71 0.00 0.00 66.02 64.05 3g1a s SER 179 CO 0.10 -0.19 0.81 -2.16 1.20 0.00 0.00 173.24 173.01 3g1a s PRO 180 N 1.74 2.24 0.00 5.44 0.04 -1.24 -0.45 135.00 142.77 3g1a s PRO 180 Ca 0.00 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 59.77 3g1a s PRO 180 Cb -0.13 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3g1a s PRO 180 CO -0.03 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.50 3g1a n GLY 181 N -2.38 0.85 3.73 0.56 0.00 -1.26 -1.87 105.19 104.82 3g1a n GLY 181 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.05 4.94 0.00 1.61 1.01 -1.26 -0.47 120.40 124.19 3g1a s VAL 182 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3g1a s VAL 182 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3g1a s VAL 182 CO 0.00 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3g1a n GLY 183 N 2.86 1.37 0.33 4.51 0.00 -0.71 -4.50 105.19 109.06 3g1a n GLY 183 Ca -0.01 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 1.51 -0.01 4.61 0.00 -1.91 -0.92 119.26 122.55 3g1a h ALA 184 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3g1a h ALA 184 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3g1a h ALA 184 CO 0.00 -0.09 -0.14 1.04 0.00 0.00 0.00 179.25 180.06 3g1a n GLN 185 N -4.83 0.94 0.00 0.00 6.02 -1.25 -4.95 117.38 113.31 3g1a n GLN 185 Ca 0.21 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 3g1a n GLN 185 Cb 0.53 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.30 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 1.27 1.77 3.77 1.08 0.00 -0.35 -4.94 105.19 107.78 3g1a n GLY 186 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.27 2.94 -0.12 -0.02 0.00 0.38 -4.73 107.32 103.50 3g1a s GLY 187 Ca 0.00 1.24 -0.17 0.00 0.00 0.00 0.00 44.72 45.79 3g1a s GLY 187 CO 0.00 1.84 0.42 -0.35 0.00 0.00 0.00 173.10 175.00 3g1a s ASP 188 N -0.67 6.61 0.09 1.64 2.15 -1.26 -1.74 116.67 123.49 3g1a s ASP 188 Ca 0.55 0.73 -0.34 0.00 0.43 0.00 0.00 52.55 53.91 3g1a s ASP 188 Cb -0.38 -2.25 -0.16 0.00 -0.30 0.00 0.00 42.92 39.83 3g1a s ASP 188 CO 0.50 0.05 1.53 -0.65 -0.17 0.00 0.00 175.17 176.43 3g1a h PRO 189 N 6.58 -0.85 -0.30 4.34 0.11 -1.97 -1.48 132.00 138.42 3g1a h PRO 189 Ca -0.42 0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.79 3g1a h PRO 189 Cb 1.18 0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.44 3g1a h PRO 189 CO 0.75 -0.57 0.07 0.78 -0.21 0.00 0.00 178.00 178.82 3g1a h GLY 190 N -0.88 0.35 1.55 -0.55 0.00 -1.94 -1.66 103.07 99.93 3g1a h GLY 190 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 3g1a h GLY 190 CO -0.14 -0.01 -0.08 0.83 0.00 0.00 0.00 176.54 177.14 3g1a h GLU 191 N 0.18 0.55 -0.42 4.80 4.39 -1.98 -2.42 114.58 119.68 3g1a h GLU 191 Ca 0.14 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 3g1a h GLU 191 Cb 0.14 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3g1a h GLU 191 CO -0.18 0.64 -0.12 1.15 -1.16 0.00 0.00 179.01 179.34 3g1a h THR 192 N 0.52 1.26 0.00 1.13 2.02 -0.91 -2.34 112.91 114.58 3g1a h THR 192 Ca 0.10 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.10 3g1a h THR 192 Cb 0.46 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3g1a h THR 192 CO 0.02 0.40 0.00 0.18 0.37 0.00 0.00 175.52 176.50 3g1a n LEU 193 N -4.16 0.00 0.17 2.58 4.77 -0.66 -1.06 117.00 118.64 3g1a n LEU 193 Ca 0.01 0.05 0.03 0.00 -0.03 0.00 0.00 56.01 56.07 3g1a n LEU 193 Cb 0.37 -0.05 0.27 0.00 -2.33 0.00 0.00 43.42 41.68 3g1a n LEU 193 CO 0.43 -0.02 0.61 0.03 -1.33 0.00 0.00 177.39 177.11 3g1a h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -1.32 -3.37 114.38 115.99 3g1a h ARG 194 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3g1a h ARG 194 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3g1a h ARG 194 CO 0.00 0.47 -1.13 1.19 -1.07 0.00 0.00 179.97 179.43 3g1a n PHE 195 N -3.66 0.00 -3.20 3.04 3.72 -0.84 -5.05 117.46 111.47 3g1a n PHE 195 Ca -0.01 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.05 3g1a n PHE 195 Cb 0.54 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 38.94 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 0.19 4.37 0.00 -0.22 -4.89 121.76 122.58 3g1a s ALA 196 Ca -0.03 0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.95 3g1a s ALA 196 Cb 0.01 -2.70 0.08 0.00 0.00 0.00 0.00 23.12 20.51 3g1a s ALA 196 CO 0.06 0.37 1.44 -0.44 0.00 0.00 0.00 175.76 177.20 3g1a h ASP 197 N 2.82 0.38 -5.00 0.00 3.32 -0.57 -3.40 116.42 113.97 3g1a h ASP 197 Ca -0.48 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.19 3g1a h ASP 197 Cb 1.18 -0.11 -0.20 0.00 0.22 0.00 0.00 39.33 40.42 3g1a h ASP 197 CO 0.66 0.99 -0.32 0.00 -1.72 0.00 0.00 179.24 178.85 3g1a s ALA 198 N -3.54 -0.67 0.03 3.45 0.00 -1.13 -4.76 121.76 115.15 3g1a s ALA 198 Ca -0.05 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.11 3g1a s ALA 198 Cb 0.11 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3g1a s ALA 198 CO 0.83 -0.26 0.11 0.96 0.00 0.00 0.00 175.76 177.39 3g1a s ILE 199 N -1.47 4.84 -0.19 0.00 -4.36 -0.49 -1.44 121.20 118.10 3g1a s ILE 199 Ca -0.13 -0.50 -0.07 0.00 -0.26 0.00 0.00 60.65 59.70 3g1a s ILE 199 Cb -0.05 -3.28 -0.04 0.00 1.25 0.00 0.00 42.46 40.34 3g1a s ILE 199 CO 0.03 0.24 0.04 -0.63 0.24 0.00 0.00 174.94 174.87 3g1a s ILE 200 N -1.32 4.53 -0.06 8.37 1.01 0.41 -0.57 121.20 133.57 3g1a s ILE 200 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.81 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 0.45 -0.04 -0.69 0.00 0.00 0.00 174.94 174.85 3g1a s VAL 201 N 0.56 0.60 0.00 2.92 1.01 0.04 -3.99 120.40 121.54 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 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.60 3g1a s VAL 201 CO 0.01 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3g1a n GLY 202 N 4.39 0.32 0.33 4.51 0.00 -1.26 -0.73 105.19 112.75 3g1a n GLY 202 Ca -0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 0.51 -0.29 1.61 3.08 -1.92 0.36 114.38 117.73 3g1a h ARG 203 Ca 0.00 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.10 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 0.34 0.29 0.77 -1.07 0.00 0.00 179.97 180.30 3g1a h SER 204 N 0.52 0.00 0.00 7.04 0.02 -1.90 -1.45 113.55 117.78 3g1a h SER 204 Ca 0.60 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.37 3g1a h SER 204 Cb 1.11 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 3g1a h SER 204 CO -0.48 0.00 -1.56 -0.38 -1.14 0.00 0.00 176.83 173.27 3g1a n ILE 205 N -3.88 1.49 0.58 3.27 5.41 -0.02 -4.35 119.36 121.87 3g1a n ILE 205 Ca 0.04 -0.05 0.09 0.00 1.00 0.00 0.00 62.75 63.83 3g1a n ILE 205 Cb 0.44 -2.15 0.38 0.00 -0.71 0.00 0.00 39.64 37.60 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 -4.35 0.08 0.74 1.39 0.18 -0.39 -2.34 117.16 112.47 3g1a n TYR 206 Ca -0.29 0.03 0.08 0.00 1.88 0.00 0.00 57.90 59.61 3g1a n TYR 206 Cb 0.65 -0.55 0.03 0.00 -0.38 0.00 0.00 39.34 39.09 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 -1.57 1.99 -4.78 -3.48 4.77 -0.55 -4.99 117.00 108.39 3g1a n LEU 207 Ca 0.04 -0.86 -0.35 0.00 -0.03 0.00 0.00 56.01 54.81 3g1a n LEU 207 Cb 0.21 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3g1a n LEU 207 CO 0.17 0.37 0.75 0.00 -1.33 0.00 0.00 177.39 177.35 3g1a s ALA 208 N -1.76 2.80 0.44 -1.18 0.00 -0.99 -4.92 121.76 116.14 3g1a s ALA 208 Ca 0.17 0.73 0.09 0.00 0.00 0.00 0.00 51.96 52.95 3g1a s ALA 208 Cb 0.14 -3.31 0.96 0.00 0.00 0.00 0.00 23.12 20.91 3g1a s ALA 208 CO 0.34 -0.54 2.08 -0.44 0.00 0.00 0.00 175.76 177.20 3g1a h ASP 209 N 1.44 0.35 -3.19 0.00 3.32 -1.94 -3.30 116.42 113.09 3g1a h ASP 209 Ca -0.50 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 55.94 3g1a h ASP 209 Cb 1.24 -0.09 -0.40 0.00 0.22 0.00 0.00 39.33 40.31 3g1a h ASP 209 CO 0.58 0.26 -0.77 0.21 -1.72 0.00 0.00 179.24 177.80 3g1a s ASN 210 N -6.78 3.38 0.29 6.45 3.84 -1.26 -5.00 114.94 115.86 3g1a s ASN 210 Ca -0.07 -2.66 0.03 0.00 0.21 0.00 0.00 52.86 50.37 3g1a s ASN 210 Cb 0.17 -0.89 0.66 0.00 -0.55 0.00 0.00 41.25 40.64 3g1a s ASN 210 CO 0.72 -0.25 1.76 -0.65 -2.79 0.00 0.00 177.10 175.88 3g1a h PRO 211 N 6.60 0.66 -0.46 0.43 0.11 -1.72 -0.75 132.00 136.87 3g1a h PRO 211 Ca 0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3g1a h PRO 211 Cb 0.92 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3g1a h PRO 211 CO 0.44 0.44 0.28 0.00 -0.21 0.00 0.00 178.00 178.95 3g1a h ALA 212 N 1.62 0.59 -0.52 -0.75 0.00 -1.89 -0.04 119.26 118.27 3g1a h ALA 212 Ca 0.54 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 3g1a h ALA 212 Cb 0.83 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3g1a h ALA 212 CO -0.39 0.08 0.01 0.00 0.00 0.00 0.00 179.25 178.95 3g1a h ALA 213 N 1.13 1.04 -0.38 0.00 0.00 -1.65 0.16 119.26 119.55 3g1a h ALA 213 Ca 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3g1a h ALA 213 Cb -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3g1a h ALA 213 CO -0.03 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.93 3g1a h ALA 214 N 1.20 0.50 -0.34 0.00 0.00 -0.70 0.60 119.26 120.51 3g1a h ALA 214 Ca 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3g1a h ALA 214 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3g1a h ALA 214 CO 0.02 0.15 0.08 0.00 0.00 0.00 0.00 179.25 179.50 3g1a h ALA 215 N 0.96 0.45 -0.71 0.00 0.00 -0.78 -1.93 119.26 117.25 3g1a h ALA 215 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g1a h ALA 215 Cb 0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3g1a h ALA 215 CO -0.00 0.12 0.42 0.00 0.00 0.00 0.00 179.25 179.79 3g1a h ALA 216 N 0.92 1.41 -0.47 0.00 0.00 -0.80 -1.34 119.26 118.99 3g1a h ALA 216 Ca 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3g1a h ALA 216 Cb 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3g1a h ALA 216 CO 0.00 0.51 0.10 0.78 0.00 0.00 0.00 179.25 180.64 3g1a h GLY 217 N 1.00 0.82 0.97 0.00 0.00 -0.57 -0.55 103.07 104.76 3g1a h GLY 217 Ca 0.25 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3g1a h GLY 217 CO -0.05 0.49 0.19 -2.22 0.00 0.00 0.00 176.54 174.95 3g1a h ILE 218 N 0.64 1.22 -0.51 2.60 2.04 -0.88 -2.23 117.51 120.39 3g1a h ILE 218 Ca 0.15 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 3g1a h ILE 218 Cb 0.35 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3g1a h ILE 218 CO 0.00 0.26 0.09 0.40 0.00 0.00 0.00 178.15 178.91 3g1a h ILE 219 N 0.69 1.23 -0.16 -0.67 2.04 -1.07 -2.23 117.51 117.34 3g1a h ILE 219 Ca 0.17 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.10 3g1a h ILE 219 Cb 0.22 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3g1a h ILE 219 CO -0.01 0.31 -0.26 -0.08 0.00 0.00 0.00 178.15 178.11 3g1a h GLU 220 N 0.76 0.28 0.00 2.37 4.22 -0.80 -1.69 114.58 119.72 3g1a h GLU 220 Ca 0.16 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.51 3g1a h GLU 220 Cb 0.33 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3g1a h GLU 220 CO 0.00 0.53 0.00 -1.13 -2.18 0.00 0.00 179.01 176.23 3g1a n SER 221 N -4.15 0.60 -0.26 1.04 3.41 -0.85 -3.07 113.62 110.34 3g1a n SER 221 Ca -0.01 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.29 3g1a n SER 221 Cb 0.37 -0.76 0.10 0.00 -0.26 0.00 0.00 64.21 63.66 3g1a n SER 221 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3g1a n ILE 222 N -2.13 1.29 -0.36 -1.33 -5.35 -0.92 -4.78 119.36 105.79 3g1a n ILE 222 Ca 0.03 -1.61 0.11 0.00 -0.27 0.00 0.00 62.75 61.01 3g1a n ILE 222 Cb 0.27 0.01 0.29 0.00 -1.74 0.00 0.00 39.64 38.47 3g1a n ILE 222 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3g1a h LYS 223 N 0.07 0.81 0.00 6.28 3.64 -1.25 0.28 116.57 126.40 3g1a h LYS 223 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3g1a h LYS 223 Cb 1.14 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3g1a h LYS 223 CO 0.00 0.54 0.00 -0.25 -2.27 0.00 0.00 179.45 177.47 3g1a n ASP 224 N -4.72 0.46 -0.77 4.20 10.43 -1.26 -5.11 116.55 119.77 3g1a n ASP 224 Ca 0.22 0.62 0.13 0.00 2.57 0.00 0.00 54.79 58.33 3g1a n ASP 224 Cb 0.50 -0.71 0.27 0.00 1.84 0.00 0.00 41.12 43.01 3g1a n ASP 224 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31