#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1f s ASP 10 N 0.00 4.01 -0.33 3.17 3.68 -1.26 -5.09 116.67 120.85 3g1f s ASP 10 Ca 0.00 -0.96 -0.13 0.00 2.13 0.00 0.00 52.55 53.59 3g1f s ASP 10 Cb 0.00 -1.58 -0.02 0.00 -1.45 0.00 0.00 42.92 39.87 3g1f s ASP 10 CO 0.00 -0.11 0.27 -0.69 0.13 0.00 0.00 175.17 174.77 3g1f s VAL 11 N 1.25 5.26 0.11 1.11 1.01 -1.26 -4.94 120.40 122.94 3g1f s VAL 11 Ca -0.01 -0.12 -0.35 0.00 0.00 0.00 0.00 61.98 61.50 3g1f s VAL 11 Cb -0.17 -3.72 -0.15 0.00 0.00 0.00 0.00 36.38 32.34 3g1f s VAL 11 CO -0.07 -0.00 1.46 0.80 0.00 0.00 0.00 175.10 177.28 3g1f n MET 12 N 5.17 1.60 -1.45 2.72 1.56 -1.26 0.13 117.12 125.58 3g1f n MET 12 Ca -0.12 0.58 -0.16 0.00 -0.27 0.00 0.00 57.70 57.73 3g1f n MET 12 Cb 0.50 -2.28 -0.07 0.00 2.15 0.00 0.00 33.22 33.52 3g1f n MET 12 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3g1f n ASN 13 N 3.02 -4.70 -4.06 6.12 3.02 -1.26 -1.84 115.26 115.56 3g1f n ASN 13 Ca 0.18 0.40 -0.33 0.00 -0.03 0.00 0.00 54.58 54.79 3g1f n ASN 13 Cb 0.23 -4.09 -0.04 0.00 -0.61 0.00 0.00 39.78 35.27 3g1f n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g1f n ARG 14 N -1.90 -2.16 -4.31 3.52 1.74 0.12 -4.89 116.66 108.79 3g1f n ARG 14 Ca -0.16 0.25 -0.30 0.00 -0.77 0.00 0.00 57.85 56.87 3g1f n ARG 14 Cb 0.57 -4.90 -0.17 0.00 -1.02 0.00 0.00 32.46 26.95 3g1f n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3g1f s LEU 15 N -6.91 1.76 -0.24 0.55 2.96 -0.77 -0.78 118.68 115.25 3g1f s LEU 15 Ca 0.66 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3g1f s LEU 15 Cb -0.37 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.16 3g1f s LEU 15 CO 0.81 -0.00 -0.06 -0.63 -1.32 0.00 0.00 176.35 175.15 3g1f s ILE 16 N 1.16 2.98 -0.16 6.68 1.01 0.06 -4.69 121.20 128.25 3g1f s ILE 16 Ca -0.02 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 3g1f s ILE 16 Cb -0.14 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3g1f s ILE 16 CO -0.05 0.25 1.30 -0.22 0.00 0.00 0.00 174.94 176.22 3g1f s LEU 17 N 1.36 4.19 -0.60 2.97 2.96 -1.22 -1.15 118.68 127.19 3g1f s LEU 17 Ca 0.02 1.74 -0.21 0.00 -0.22 0.00 0.00 54.13 55.45 3g1f s LEU 17 Cb -0.16 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.07 3g1f s LEU 17 CO -0.04 -0.79 0.81 0.00 -1.32 0.00 0.00 176.35 175.01 3g1f s ALA 18 N 3.58 3.27 -0.86 5.97 0.00 0.12 -0.43 121.76 133.41 3g1f s ALA 18 Ca 0.57 -1.90 -0.20 0.00 0.00 0.00 0.00 51.96 50.42 3g1f s ALA 18 Cb -0.23 -3.65 0.11 0.00 0.00 0.00 0.00 23.12 19.35 3g1f s ALA 18 CO 0.16 -2.46 1.10 1.41 0.00 0.00 0.00 175.76 175.97 3g1f s MET 19 N 3.33 3.46 -0.02 0.00 1.75 -0.44 -4.39 119.30 122.99 3g1f s MET 19 Ca 0.18 -1.46 0.14 0.00 -1.25 0.00 0.00 55.69 53.30 3g1f s MET 19 Cb -0.19 -4.75 0.42 0.00 2.84 0.00 0.00 34.83 33.15 3g1f s MET 19 CO 0.10 -1.81 1.35 -0.25 -0.65 0.00 0.00 175.02 173.76 3g1f n ASP 20 N 7.02 3.35 -4.63 1.11 8.00 -1.26 -4.19 116.55 125.95 3g1f n ASP 20 Ca 0.16 -2.12 -0.37 0.00 0.71 0.00 0.00 54.79 53.18 3g1f n ASP 20 Cb 0.48 -0.33 0.07 0.00 -0.02 0.00 0.00 41.12 41.32 3g1f n ASP 20 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3g1f n LEU 21 N 0.70 3.87 0.02 0.64 4.77 -1.26 -4.66 117.00 121.08 3g1f n LEU 21 Ca 0.16 0.73 -0.00 0.00 -0.03 0.00 0.00 56.01 56.87 3g1f n LEU 21 Cb 0.54 -1.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.12 3g1f n LEU 21 CO 0.11 -1.87 -0.39 0.23 -1.33 0.00 0.00 177.39 174.14 3g1f n MET 22 N -1.56 0.63 -4.27 3.23 2.81 -1.26 -4.07 117.12 112.63 3g1f n MET 22 Ca 0.14 0.18 -0.34 0.00 -1.81 0.00 0.00 57.70 55.87 3g1f n MET 22 Cb 0.49 -1.77 -0.11 0.00 -0.71 0.00 0.00 33.22 31.12 3g1f n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3g1f s ASN 23 N -5.68 5.17 0.26 7.83 2.20 -1.26 -4.74 114.94 118.72 3g1f s ASN 23 Ca -0.04 0.00 -0.06 0.00 -0.94 0.00 0.00 52.86 51.82 3g1f s ASN 23 Cb 0.09 -1.78 0.49 0.00 -2.00 0.00 0.00 41.25 38.05 3g1f s ASN 23 CO 0.82 0.22 1.61 -0.09 -2.94 0.00 0.00 177.10 176.71 3g1f h ARG 24 N 6.36 0.05 -0.02 3.55 2.43 -1.93 -1.95 114.38 122.86 3g1f h ARG 24 Ca -0.37 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 3g1f h ARG 24 Cb 1.18 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3g1f h ARG 24 CO 0.64 0.03 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.66 3g1f h ASP 25 N 0.05 0.06 0.01 -3.80 3.32 -1.97 0.19 116.42 114.27 3g1f h ASP 25 Ca 0.45 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3g1f h ASP 25 Cb 0.81 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 3g1f h ASP 25 CO -0.79 0.56 -0.00 -0.78 -1.72 0.00 0.00 179.24 176.50 3g1f h ASP 26 N -0.44 0.00 0.14 6.45 1.82 -1.94 0.50 116.42 122.94 3g1f h ASP 26 Ca 0.00 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.35 3g1f h ASP 26 Cb 0.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.55 3g1f h ASP 26 CO 0.01 0.00 -1.48 0.00 -1.61 0.00 0.00 179.24 176.16 3g1f h ALA 27 N 2.00 0.16 0.00 -0.78 0.00 -1.26 -2.53 119.26 116.85 3g1f h ALA 27 Ca -0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 54.91 53.78 3g1f h ALA 27 Cb 0.01 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3g1f h ALA 27 CO 0.00 0.86 -0.20 -0.07 0.00 0.00 0.00 179.25 179.84 3g1f h LEU 28 N -0.20 0.00 0.00 0.00 3.38 -0.30 -2.09 115.31 116.11 3g1f h LEU 28 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3g1f h LEU 28 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3g1f h LEU 28 CO 0.09 0.20 0.00 -1.14 0.09 0.00 0.00 178.44 177.69 3g1f n ARG 29 N -3.57 0.00 -0.15 1.13 0.63 0.17 -3.03 116.66 111.84 3g1f n ARG 29 Ca -0.01 0.49 -0.04 0.00 -0.92 0.00 0.00 57.85 57.37 3g1f n ARG 29 Cb 0.35 -1.18 0.03 0.00 0.45 0.00 0.00 32.46 32.11 3g1f n ARG 29 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3g1f h VAL 30 N 0.00 0.48 -0.73 5.15 2.07 -1.51 -0.97 116.25 120.74 3g1f h VAL 30 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3g1f h VAL 30 Cb 0.00 0.48 -0.14 0.00 -1.52 0.00 0.00 31.29 30.11 3g1f h VAL 30 CO 0.00 0.00 -0.20 0.74 0.02 0.00 0.00 177.57 178.13 3g1f h THR 31 N -0.03 0.25 -0.67 2.57 2.02 -1.53 0.27 112.91 115.79 3g1f h THR 31 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 3g1f h THR 31 Cb 0.38 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3g1f h THR 31 CO -0.50 0.00 0.43 1.23 0.37 0.00 0.00 175.52 177.05 3g1f h GLY 32 N -0.01 0.95 1.12 2.16 0.00 -1.11 -1.98 103.07 104.21 3g1f h GLY 32 Ca 0.35 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3g1f h GLY 32 CO -0.76 0.36 0.00 1.18 0.00 0.00 0.00 176.54 177.32 3g1f n GLU 33 N -4.60 0.04 0.00 4.80 1.02 0.07 -1.99 120.64 119.98 3g1f n GLU 33 Ca 0.05 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3g1f n GLU 33 Cb 0.03 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 3g1f n GLU 33 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3g1f n VAL 34 N -1.06 0.16 0.29 2.62 0.24 -0.78 -3.96 118.33 115.84 3g1f n VAL 34 Ca 0.01 -0.16 0.04 0.00 -2.04 0.00 0.00 64.34 62.18 3g1f n VAL 34 Cb 0.01 0.92 0.17 0.00 -1.47 0.00 0.00 33.84 33.46 3g1f n VAL 34 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3g1f n ARG 35 N -0.08 0.05 0.04 7.34 3.00 -0.84 -0.90 116.66 125.27 3g1f n ARG 35 Ca 0.00 0.30 -0.08 0.00 -0.00 0.00 0.00 57.85 58.07 3g1f n ARG 35 Cb 0.46 -1.50 0.06 0.00 0.00 0.00 0.00 32.46 31.48 3g1f n ARG 35 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3g1f h GLU 36 N 0.00 0.42 -0.02 -0.14 4.81 -1.84 -3.28 114.58 114.53 3g1f h GLU 36 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3g1f h GLU 36 Cb 0.10 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3g1f h GLU 36 CO 0.00 0.91 -0.05 0.66 -0.73 0.00 0.00 179.01 179.80 3g1f n TYR 37 N -3.90 0.00 -3.86 0.92 4.02 -0.08 -5.02 117.16 109.24 3g1f n TYR 37 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.75 3g1f n TYR 37 Cb 0.64 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.87 3g1f n TYR 37 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3g1f s ILE 38 N -1.26 0.10 -0.01 -0.72 -4.36 -0.94 -4.45 121.20 109.56 3g1f s ILE 38 Ca 0.16 -0.82 0.02 0.00 -0.26 0.00 0.00 60.65 59.75 3g1f s ILE 38 Cb 0.12 -0.69 0.03 0.00 1.25 0.00 0.00 42.46 43.16 3g1f s ILE 38 CO 0.20 -0.45 0.78 -0.90 0.24 0.00 0.00 174.94 174.81 3g1f n ASP 39 N 1.05 0.56 -3.85 4.36 5.75 -1.26 -4.54 116.55 118.62 3g1f n ASP 39 Ca -0.21 -1.62 -0.20 0.00 -0.01 0.00 0.00 54.79 52.75 3g1f n ASP 39 Cb 0.57 -0.09 -0.17 0.00 -1.03 0.00 0.00 41.12 40.40 3g1f n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g1f s THR 40 N -0.44 0.42 -0.05 2.12 2.01 -1.26 -1.00 115.64 117.44 3g1f s THR 40 Ca 0.03 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.01 3g1f s THR 40 Cb 0.03 -0.49 0.02 0.00 0.01 0.00 0.00 72.50 72.07 3g1f s THR 40 CO 0.00 0.22 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.43 3g1f s VAL 41 N 1.19 0.48 0.00 3.82 1.01 -0.44 -3.38 120.40 123.09 3g1f s VAL 41 Ca -0.07 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 3g1f s VAL 41 Cb -0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3g1f s VAL 41 CO -0.02 0.23 0.81 -0.75 0.00 0.00 0.00 175.10 175.38 3g1f s LYS 42 N 1.26 4.51 -0.08 2.72 2.20 0.42 -2.04 119.74 128.73 3g1f s LYS 42 Ca -0.06 1.12 0.04 0.00 -0.36 0.00 0.00 55.97 56.71 3g1f s LYS 42 Cb -0.14 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 3g1f s LYS 42 CO -0.02 0.12 -0.19 0.42 -0.36 0.00 0.00 175.35 175.32 3g1f s ILE 43 N 0.50 1.67 0.43 5.43 1.09 0.00 -1.32 121.20 129.00 3g1f s ILE 43 Ca 0.42 -0.80 0.06 0.00 -1.10 0.00 0.00 60.65 59.23 3g1f s ILE 43 Cb -0.20 -1.46 -0.06 0.00 -1.06 0.00 0.00 42.46 39.68 3g1f s ILE 43 CO 0.23 0.47 0.08 -0.83 -0.10 0.00 0.00 174.94 174.80 3g1f s GLY 44 N 0.38 2.50 0.45 6.18 0.00 -1.26 -0.10 107.32 115.47 3g1f s GLY 44 Ca -0.15 -1.98 0.24 0.00 0.00 0.00 0.00 44.72 42.83 3g1f s GLY 44 CO 0.06 -2.04 1.80 -0.97 0.00 0.00 0.00 173.10 171.96 3g1f h TYR 45 N 1.56 0.42 0.00 1.90 0.99 -1.97 -2.66 116.97 117.21 3g1f h TYR 45 Ca -0.43 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.31 3g1f h TYR 45 Cb 1.26 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.86 3g1f h TYR 45 CO 0.79 0.05 0.00 -2.30 -0.00 0.00 0.00 178.16 176.70 3g1f n PRO 46 N -4.47 0.00 -0.34 4.88 -0.02 -1.26 -0.14 135.00 133.65 3g1f n PRO 46 Ca 0.24 0.31 0.23 0.00 -2.02 0.00 0.00 63.50 62.26 3g1f n PRO 46 Cb 0.94 -1.13 0.47 0.00 -0.02 0.00 0.00 33.50 33.77 3g1f n PRO 46 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3g1f h LEU 47 N 0.00 0.53 -0.17 2.45 5.85 -1.67 -1.82 115.31 120.48 3g1f h LEU 47 Ca 0.00 0.18 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 3g1f h LEU 47 Cb 0.00 0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.16 3g1f h LEU 47 CO 0.00 -0.11 -0.58 0.58 -0.34 0.00 0.00 178.44 177.99 3g1f h VAL 48 N 0.35 1.32 0.00 1.05 2.07 -1.32 0.23 116.25 119.95 3g1f h VAL 48 Ca 0.73 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3g1f h VAL 48 Cb 1.64 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 3g1f h VAL 48 CO -0.59 0.57 -0.25 -0.07 0.02 0.00 0.00 177.57 177.25 3g1f h LEU 49 N 0.37 0.00 0.00 2.57 3.38 0.26 0.12 115.31 122.02 3g1f h LEU 49 Ca -0.03 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.58 3g1f h LEU 49 Cb 1.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 3g1f h LEU 49 CO 0.12 0.25 -2.35 -1.54 0.09 0.00 0.00 178.44 175.01 3g1f n SER 50 N -3.41 0.27 -0.01 -0.43 3.41 -0.82 -4.60 113.62 108.03 3g1f n SER 50 Ca 0.00 0.02 0.09 0.00 -0.26 0.00 0.00 58.87 58.72 3g1f n SER 50 Cb 0.45 0.78 -0.14 0.00 -0.26 0.00 0.00 64.21 65.03 3g1f n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3g1f n GLU 51 N -2.82 0.58 0.00 4.33 -0.58 0.81 -5.03 120.64 117.93 3g1f n GLU 51 Ca -0.33 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.24 3g1f n GLU 51 Cb 1.14 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.56 3g1f n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1f n GLY 52 N 1.43 2.24 0.36 0.62 0.00 0.43 -4.73 105.19 105.55 3g1f n GLY 52 Ca -0.03 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.49 3g1f n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g1f h MET 53 N 0.00 0.28 0.00 1.61 2.86 -1.92 -0.70 114.93 117.06 3g1f h MET 53 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3g1f h MET 53 Cb 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3g1f h MET 53 CO 0.00 0.19 0.07 -0.25 1.06 0.00 0.00 176.91 177.97 3g1f n ASP 54 N -4.45 0.00 0.07 1.22 9.92 -1.26 -0.39 116.55 121.66 3g1f n ASP 54 Ca 0.10 0.34 -0.00 0.00 -0.53 0.00 0.00 54.79 54.70 3g1f n ASP 54 Cb 0.43 -0.34 0.30 0.00 -0.64 0.00 0.00 41.12 40.87 3g1f n ASP 54 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3g1f h ILE 55 N 0.00 1.22 0.00 0.53 6.09 -1.41 -1.74 117.51 122.21 3g1f h ILE 55 Ca 0.00 -1.01 0.00 0.00 -1.37 0.00 0.00 64.86 62.48 3g1f h ILE 55 Cb 0.13 1.27 0.00 0.00 0.47 0.00 0.00 36.82 38.69 3g1f h ILE 55 CO 0.00 0.32 0.00 -0.38 -3.07 0.00 0.00 178.15 175.02 3g1f n ILE 56 N -4.20 0.00 -0.32 2.19 5.41 0.48 -1.07 119.36 121.85 3g1f n ILE 56 Ca -0.00 1.38 0.19 0.00 1.00 0.00 0.00 62.75 65.32 3g1f n ILE 56 Cb 0.33 -2.38 0.39 0.00 -0.71 0.00 0.00 39.64 37.27 3g1f n ILE 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g1f h ALA 57 N -2.00 1.64 0.65 -1.39 0.00 -1.59 0.56 119.26 117.13 3g1f h ALA 57 Ca 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3g1f h ALA 57 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3g1f h ALA 57 CO 0.00 -0.56 -0.33 1.49 0.00 0.00 0.00 179.25 179.86 3g1f h GLU 58 N 0.23 -0.86 -0.37 0.00 4.81 -1.23 -1.67 114.58 115.49 3g1f h GLU 58 Ca 0.66 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 60.02 3g1f h GLU 58 Cb 1.46 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 30.94 3g1f h GLU 58 CO -0.66 -0.57 -0.32 0.74 -0.73 0.00 0.00 179.01 177.46 3g1f h PHE 59 N -0.89 -0.89 -0.15 0.92 -1.00 0.71 0.44 116.94 116.08 3g1f h PHE 59 Ca -0.09 0.06 0.04 0.00 2.81 0.00 0.00 57.97 60.79 3g1f h PHE 59 Cb 0.69 0.45 -0.01 0.00 3.61 0.00 0.00 35.95 40.69 3g1f h PHE 59 CO -0.04 -0.38 0.23 -0.09 -1.61 0.00 0.00 178.31 176.41 3g1f h ARG 60 N -0.26 0.00 0.10 1.51 2.43 -1.05 -0.10 114.38 117.01 3g1f h ARG 60 Ca 0.17 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.98 3g1f h ARG 60 Cb 0.54 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3g1f h ARG 60 CO -0.52 0.00 -1.97 1.63 -1.51 0.00 0.00 179.97 177.60 3g1f n LYS 61 N -3.54 0.73 0.13 0.20 5.02 0.29 -2.73 118.16 118.26 3g1f n LYS 61 Ca 0.01 0.28 -0.01 0.00 -2.02 0.00 0.00 58.31 56.57 3g1f n LYS 61 Cb 0.33 -1.69 0.14 0.00 -0.02 0.00 0.00 35.03 33.79 3g1f n LYS 61 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3g1f h ARG 62 N -0.06 0.00 0.00 1.97 2.43 0.78 -3.34 114.38 116.16 3g1f h ARG 62 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3g1f h ARG 62 Cb 1.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 3g1f h ARG 62 CO 0.04 0.64 0.00 1.19 -1.51 0.00 0.00 179.97 180.33 3g1f n PHE 63 N -3.67 0.00 -3.77 2.20 3.01 -0.15 -5.02 117.46 110.06 3g1f n PHE 63 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.20 3g1f n PHE 63 Cb 0.66 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.15 3g1f n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g1f n GLY 64 N 0.31 -0.48 3.48 1.37 0.00 -1.11 -4.97 105.19 103.79 3g1f n GLY 64 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 3g1f n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f s ARG 66 N -2.20 3.54 -0.17 0.00 0.52 -0.17 -4.51 118.95 115.96 3g1f s ARG 66 Ca 0.18 1.55 0.00 0.00 -0.52 0.00 0.00 55.73 56.95 3g1f s ARG 66 Cb -0.10 -2.08 0.04 0.00 0.52 0.00 0.00 34.95 33.32 3g1f s ARG 66 CO 0.10 -0.68 -0.10 0.42 0.02 0.00 0.00 175.30 175.06 3g1f s ILE 67 N -1.81 1.43 -0.34 1.52 -1.09 -1.26 -1.33 121.20 118.32 3g1f s ILE 67 Ca 0.70 -0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 58.22 3g1f s ILE 67 Cb -0.22 -1.48 -0.01 0.00 -1.58 0.00 0.00 42.46 39.16 3g1f s ILE 67 CO 0.26 0.25 0.36 -0.63 -1.23 0.00 0.00 174.94 173.94 3g1f s ILE 68 N 1.51 5.17 -0.54 2.92 1.01 -0.87 -2.18 121.20 128.22 3g1f s ILE 68 Ca 0.01 0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.48 3g1f s ILE 68 Cb -0.15 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.55 3g1f s ILE 68 CO -0.09 -0.07 1.05 0.00 0.00 0.00 0.00 174.94 175.83 3g1f s ALA 69 N 2.02 3.11 -1.33 9.38 0.00 0.24 -0.82 121.76 134.36 3g1f s ALA 69 Ca 0.12 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 3g1f s ALA 69 Cb -0.16 -3.85 0.11 0.00 0.00 0.00 0.00 23.12 19.22 3g1f s ALA 69 CO 0.12 -2.43 1.88 -3.47 0.00 0.00 0.00 175.76 171.86 3g1f n ASP 70 N 7.81 4.70 -0.48 0.00 -0.08 0.86 -1.15 116.55 128.21 3g1f n ASP 70 Ca 0.06 -2.97 0.12 0.00 -1.51 0.00 0.00 54.79 50.49 3g1f n ASP 70 Cb 0.48 -1.60 0.09 0.00 2.34 0.00 0.00 41.12 42.43 3g1f n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3g1f n PHE 71 N 5.76 0.00 -4.18 -0.67 0.99 -1.25 -4.20 117.46 113.91 3g1f n PHE 71 Ca 0.45 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.61 3g1f n PHE 71 Cb 0.40 -0.02 -0.07 0.00 -1.00 0.00 0.00 39.48 38.79 3g1f n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3g1f n LYS 72 N -0.03 -1.87 -1.65 -1.08 5.02 -0.54 -4.73 118.16 113.29 3g1f n LYS 72 Ca 0.10 0.21 -0.55 0.00 -2.02 0.00 0.00 58.31 56.06 3g1f n LYS 72 Cb 0.45 -3.96 -0.07 0.00 -0.02 0.00 0.00 35.03 31.43 3g1f n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g1f n VAL 73 N -4.51 0.16 -2.69 -0.18 0.31 -1.12 -4.36 118.33 105.93 3g1f n VAL 73 Ca -0.32 -0.03 -0.09 0.00 -0.01 0.00 0.00 64.34 63.90 3g1f n VAL 73 Cb 0.69 -1.03 0.06 0.00 -0.91 0.00 0.00 33.84 32.65 3g1f n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g1f n ALA 74 N 3.97 2.63 -3.72 3.52 0.00 -1.26 -1.29 120.51 124.36 3g1f n ALA 74 Ca 0.22 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 51.11 3g1f n ALA 74 Cb 0.16 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3g1f n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g1f n ASP 75 N -0.20 2.00 -4.82 0.00 -0.08 -1.26 -4.97 116.55 107.21 3g1f n ASP 75 Ca 0.06 -0.72 -0.30 0.00 -1.51 0.00 0.00 54.79 52.31 3g1f n ASP 75 Cb 0.82 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.35 3g1f n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3g1f s ILE 76 N -0.44 3.61 0.18 5.18 -4.36 -1.26 -4.74 121.20 119.38 3g1f s ILE 76 Ca 0.00 0.52 -0.20 0.00 -0.26 0.00 0.00 60.65 60.71 3g1f s ILE 76 Cb 0.00 -3.31 0.12 0.00 1.25 0.00 0.00 42.46 40.52 3g1f s ILE 76 CO 0.00 -0.68 1.60 -0.65 0.24 0.00 0.00 174.94 175.45 3g1f h PRO 77 N -0.84 -0.15 -0.44 0.37 0.11 -1.88 -0.17 132.00 128.99 3g1f h PRO 77 Ca -0.45 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.75 3g1f h PRO 77 Cb 1.24 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 3g1f h PRO 77 CO 0.59 -0.10 -0.05 0.93 -0.21 0.00 0.00 178.00 179.16 3g1f h GLU 78 N -0.16 0.06 -0.27 1.05 3.07 -1.94 -0.91 114.58 115.48 3g1f h GLU 78 Ca 0.23 -0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.90 3g1f h GLU 78 Cb 0.53 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3g1f h GLU 78 CO -0.62 0.04 -0.54 1.15 -1.40 0.00 0.00 179.01 177.64 3g1f h THR 79 N 0.06 1.29 -0.83 1.13 2.02 -1.82 -2.99 112.91 111.77 3g1f h THR 79 Ca 0.22 -1.74 0.05 0.00 0.77 0.00 0.00 66.41 65.71 3g1f h THR 79 Cb 0.33 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 3g1f h THR 79 CO -0.41 0.56 0.55 0.78 0.37 0.00 0.00 175.52 177.37 3g1f h ASN 80 N 0.61 0.85 -0.13 4.18 4.21 -0.57 -0.66 115.58 124.07 3g1f h ASN 80 Ca 0.02 -0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.53 3g1f h ASN 80 Cb 1.13 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.13 3g1f h ASN 80 CO 0.12 0.56 0.07 -0.08 -1.29 0.00 0.00 177.43 176.81 3g1f h GLU 81 N 0.97 0.14 -0.24 0.81 4.81 -1.04 -0.83 114.58 119.20 3g1f h GLU 81 Ca 0.35 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3g1f h GLU 81 Cb 0.13 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3g1f h GLU 81 CO -0.11 0.09 0.15 0.87 -0.73 0.00 0.00 179.01 179.28 3g1f h LYS 82 N 0.15 0.32 -0.40 1.92 1.57 -1.16 0.17 116.57 119.14 3g1f h LYS 82 Ca 0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3g1f h LYS 82 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3g1f h LYS 82 CO -0.03 0.25 0.19 0.82 -0.57 0.00 0.00 179.45 180.11 3g1f h ILE 83 N 0.31 1.18 -0.01 1.86 2.04 -0.97 0.21 117.51 122.13 3g1f h ILE 83 Ca 0.09 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3g1f h ILE 83 Cb 0.00 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3g1f h ILE 83 CO -0.02 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.33 3g1f h ARG 85 N -0.06 0.99 -0.06 0.00 2.43 -0.36 0.36 114.38 117.69 3g1f h ARG 85 Ca 0.00 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 3g1f h ARG 85 Cb 0.07 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3g1f h ARG 85 CO -0.00 0.66 -0.67 0.00 -1.51 0.00 0.00 179.97 178.44 3g1f h ALA 86 N 1.45 0.73 -0.15 2.80 0.00 -0.23 0.24 119.26 124.11 3g1f h ALA 86 Ca 0.42 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 3g1f h ALA 86 Cb 0.24 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3g1f h ALA 86 CO -0.20 0.77 -0.67 1.15 0.00 0.00 0.00 179.25 180.30 3g1f h THR 87 N 0.20 1.30 -0.31 0.00 2.02 0.17 -1.96 112.91 114.32 3g1f h THR 87 Ca -0.02 -1.90 -0.11 0.00 0.77 0.00 0.00 66.41 65.16 3g1f h THR 87 Cb 1.22 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 3g1f h THR 87 CO 0.11 0.59 -0.23 -0.26 0.37 0.00 0.00 175.52 176.11 3g1f h PHE 88 N 0.43 0.83 -0.73 3.16 0.04 -0.37 -2.56 116.94 117.74 3g1f h PHE 88 Ca -0.04 -0.23 0.21 0.00 2.80 0.00 0.00 57.97 60.71 3g1f h PHE 88 Cb 1.30 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 39.24 3g1f h PHE 88 CO 0.09 0.96 0.56 -0.22 -0.60 0.00 0.00 178.31 179.10 3g1f h LYS 89 N 0.47 0.00 -0.12 1.51 3.64 -0.87 2.78 116.57 123.98 3g1f h LYS 89 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3g1f h LYS 89 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3g1f h LYS 89 CO 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.24 3g1f n ALA 90 N -2.63 2.51 -2.33 5.00 0.00 -0.74 -4.89 120.51 117.43 3g1f n ALA 90 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 3g1f n ALA 90 Cb 0.83 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.21 3g1f n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1f n GLY 91 N 0.82 0.59 3.73 0.00 0.00 0.93 -3.51 105.19 107.75 3g1f n GLY 91 Ca 0.09 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 3g1f n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f s ALA 92 N -2.58 3.53 0.09 4.61 0.00 -1.02 -4.72 121.76 121.67 3g1f s ALA 92 Ca 0.02 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.52 3g1f s ALA 92 Cb -0.01 -2.53 -0.07 0.00 0.00 0.00 0.00 23.12 20.51 3g1f s ALA 92 CO 0.03 0.07 1.56 -0.44 0.00 0.00 0.00 175.76 176.98 3g1f h ASP 93 N 6.55 0.44 -4.60 0.00 3.32 -1.79 -3.41 116.42 116.93 3g1f h ASP 93 Ca -0.42 -0.27 -0.18 0.00 0.02 0.00 0.00 57.03 56.18 3g1f h ASP 93 Cb 1.18 -0.12 -0.23 0.00 0.22 0.00 0.00 39.33 40.38 3g1f h ASP 93 CO 0.74 0.60 -0.65 0.00 -1.72 0.00 0.00 179.24 178.21 3g1f s ALA 94 N -5.15 -0.03 -0.12 3.45 0.00 -0.99 -2.28 121.76 116.64 3g1f s ALA 94 Ca -0.14 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3g1f s ALA 94 Cb 0.08 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.29 3g1f s ALA 94 CO 0.74 -0.13 -0.12 -1.50 0.00 0.00 0.00 175.76 174.75 3g1f s ILE 95 N -0.99 1.37 -0.01 0.00 2.07 -0.98 0.83 121.20 123.50 3g1f s ILE 95 Ca -0.11 -0.53 -0.30 0.00 -1.41 0.00 0.00 60.65 58.30 3g1f s ILE 95 Cb -0.07 -1.30 -0.05 0.00 0.13 0.00 0.00 42.46 41.18 3g1f s ILE 95 CO -0.00 0.42 1.30 -0.63 -1.91 0.00 0.00 174.94 174.12 3g1f s ILE 96 N 1.36 3.95 0.05 2.00 1.01 -0.30 -2.33 121.20 126.94 3g1f s ILE 96 Ca 0.01 1.33 0.09 0.00 0.00 0.00 0.00 60.65 62.07 3g1f s ILE 96 Cb -0.13 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 3g1f s ILE 96 CO -0.07 0.01 -0.26 -0.69 0.00 0.00 0.00 174.94 173.94 3g1f s VAL 97 N 2.11 2.07 0.40 2.92 1.01 0.24 -1.47 120.40 127.69 3g1f s VAL 97 Ca 0.60 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 3g1f s VAL 97 Cb -0.29 -1.78 -0.10 0.00 0.00 0.00 0.00 36.38 34.21 3g1f s VAL 97 CO 0.25 0.33 0.90 -1.00 0.00 0.00 0.00 175.10 175.58 3g1f s HIS 98 N -0.82 3.36 -0.31 5.22 3.76 -0.41 -0.89 115.29 125.20 3g1f s HIS 98 Ca 0.11 1.54 0.18 0.00 -0.15 0.00 0.00 55.06 56.75 3g1f s HIS 98 Cb -0.10 -2.79 -0.26 0.00 1.11 0.00 0.00 32.58 30.54 3g1f s HIS 98 CO 0.02 -0.03 0.53 0.41 -0.85 0.00 0.00 174.74 174.82 3g1f n GLY 99 N -0.46 -0.80 0.25 -2.22 0.00 -1.20 -4.55 105.19 96.21 3g1f n GLY 99 Ca 0.06 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.73 3g1f n GLY 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3g1f h PHE 100 N 0.00 0.00 0.00 1.61 -5.15 -1.94 -2.98 116.94 108.48 3g1f h PHE 100 Ca 0.00 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.73 3g1f h PHE 100 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.87 3g1f h PHE 100 CO 0.00 0.15 -0.17 -1.35 -2.00 0.00 0.00 178.31 174.94 3g1f h PRO 101 N 0.00 0.00 0.00 6.09 0.11 -1.94 -3.48 132.00 132.78 3g1f h PRO 101 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3g1f h PRO 101 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3g1f h PRO 101 CO 0.02 0.17 0.00 0.41 -0.21 0.00 0.00 178.00 178.39 3g1f n GLY 102 N -0.97 2.00 0.14 -0.55 0.00 -1.13 -4.85 105.19 99.83 3g1f n GLY 102 Ca -0.02 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 3g1f n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f h ALA 103 N 0.00 0.22 -1.01 4.61 0.00 -1.94 -2.92 119.26 118.23 3g1f h ALA 103 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.65 3g1f h ALA 103 Cb 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 3g1f h ALA 103 CO 0.00 0.12 0.65 0.38 0.00 0.00 0.00 179.25 180.40 3g1f h ASP 104 N -0.00 1.04 -0.46 0.00 2.03 -1.97 0.71 116.42 117.77 3g1f h ASP 104 Ca 0.02 0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 56.23 3g1f h ASP 104 Cb 0.70 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.97 3g1f h ASP 104 CO 0.04 0.65 -0.10 0.28 -1.03 0.00 0.00 179.24 179.08 3g1f h SER 105 N 1.17 0.92 -0.20 4.15 0.02 -1.87 0.29 113.55 118.02 3g1f h SER 105 Ca 0.44 -0.29 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 3g1f h SER 105 Cb 0.19 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 3g1f h SER 105 CO -0.18 1.04 -0.26 0.58 -1.14 0.00 0.00 176.83 176.87 3g1f h VAL 106 N 0.83 1.33 -0.88 2.27 2.07 -1.13 -2.97 116.25 117.78 3g1f h VAL 106 Ca 0.13 -1.46 0.05 0.00 0.82 0.00 0.00 66.70 66.24 3g1f h VAL 106 Cb 0.64 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 3g1f h VAL 106 CO 0.04 0.45 0.58 -0.09 0.02 0.00 0.00 177.57 178.57 3g1f h ARG 107 N 0.19 1.03 -0.78 1.57 9.65 0.63 -0.49 114.38 126.18 3g1f h ARG 107 Ca 0.02 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3g1f h ARG 107 Cb 0.83 -0.23 -0.04 0.00 -1.39 0.00 0.00 29.97 29.14 3g1f h ARG 107 CO 0.06 0.68 0.49 0.00 2.80 0.00 0.00 179.97 184.00 3g1f h ALA 108 N 1.50 1.38 -0.01 2.80 0.00 -0.32 0.12 119.26 124.73 3g1f h ALA 108 Ca 0.36 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.95 3g1f h ALA 108 Cb 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.57 3g1f h ALA 108 CO -0.12 0.54 -0.96 0.00 0.00 0.00 0.00 179.25 178.71 3g1f h LEU 110 N 0.30 0.22 -0.61 0.00 3.38 -0.51 -0.60 115.31 117.49 3g1f h LEU 110 Ca -0.09 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3g1f h LEU 110 Cb 1.60 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.22 3g1f h LEU 110 CO 0.18 0.16 0.21 0.78 0.09 0.00 0.00 178.44 179.85 3g1f h ASN 111 N 0.27 0.18 0.14 -0.43 2.35 -0.78 0.63 115.58 117.93 3g1f h ASN 111 Ca 0.08 0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 3g1f h ASN 111 Cb -0.02 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3g1f h ASN 111 CO -0.02 0.11 -0.44 0.58 -1.65 0.00 0.00 177.43 176.00 3g1f h VAL 112 N 0.38 1.32 -0.22 2.81 2.07 -1.44 -1.37 116.25 119.79 3g1f h VAL 112 Ca 0.31 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 3g1f h VAL 112 Cb 0.40 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3g1f h VAL 112 CO -0.33 0.49 -0.00 0.00 0.02 0.00 0.00 177.57 177.76 3g1f h ALA 113 N 1.22 0.30 0.76 1.67 0.00 0.15 -2.56 119.26 120.79 3g1f h ALA 113 Ca 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3g1f h ALA 113 Cb 0.91 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.62 3g1f h ALA 113 CO 0.08 0.02 -0.36 0.93 0.00 0.00 0.00 179.25 179.92 3g1f h GLU 114 N 0.16 -0.98 0.00 0.00 5.08 -0.90 0.30 114.58 118.24 3g1f h GLU 114 Ca 0.06 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3g1f h GLU 114 Cb 0.40 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3g1f h GLU 114 CO 0.01 -0.63 0.42 -1.91 -1.00 0.00 0.00 179.01 175.89 3g1f n GLU 115 N -5.47 0.04 0.00 2.33 2.13 -0.52 -0.43 120.64 118.72 3g1f n GLU 115 Ca -0.13 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.10 3g1f n GLU 115 Cb 0.41 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.08 3g1f n GLU 115 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3g1f n MET 116 N -1.68 0.18 -2.82 5.31 2.81 -0.97 -5.04 117.12 114.92 3g1f n MET 116 Ca -0.00 -0.23 -0.10 0.00 -1.81 0.00 0.00 57.70 55.56 3g1f n MET 116 Cb 0.42 -0.69 0.05 0.00 -0.71 0.00 0.00 33.22 32.29 3g1f n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g1f n GLY 117 N 0.09 0.04 3.10 3.03 0.00 0.63 -5.05 105.19 107.03 3g1f n GLY 117 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 3g1f n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g1f s ARG 118 N -4.90 0.63 0.53 1.61 3.00 0.73 -5.02 118.95 115.53 3g1f s ARG 118 Ca 0.06 -1.10 -0.07 0.00 0.00 0.00 0.00 55.73 54.61 3g1f s ARG 118 Cb -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 34.95 34.88 3g1f s ARG 118 CO 0.39 -0.05 0.87 -1.21 0.00 0.00 0.00 175.30 175.31 3g1f s GLU 119 N -3.19 3.51 -0.08 3.54 0.41 -0.97 -4.23 118.70 117.69 3g1f s GLU 119 Ca 0.03 0.36 -0.03 0.00 -0.41 0.00 0.00 54.97 54.92 3g1f s GLU 119 Cb 0.02 -2.27 0.04 0.00 -1.78 0.00 0.00 34.13 30.14 3g1f s GLU 119 CO -0.05 -0.36 0.06 0.14 -0.49 0.00 0.00 175.26 174.56 3g1f s VAL 120 N -2.90 -0.04 -0.18 2.63 -7.23 -1.26 -2.33 120.40 109.09 3g1f s VAL 120 Ca 0.50 0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 60.72 3g1f s VAL 120 Cb -0.11 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 3g1f s VAL 120 CO 0.48 0.05 0.47 -0.36 -0.31 0.00 0.00 175.10 175.43 3g1f s PHE 121 N 2.14 3.41 -0.25 2.82 0.40 -0.99 -4.34 117.98 121.17 3g1f s PHE 121 Ca 0.04 0.75 -0.14 0.00 -0.60 0.00 0.00 56.93 56.98 3g1f s PHE 121 Cb -0.13 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.77 3g1f s PHE 121 CO -0.05 0.01 0.34 -1.17 0.70 0.00 0.00 175.22 175.05 3g1f s LEU 122 N 1.24 4.07 -0.47 -0.37 2.96 -0.96 0.82 118.68 125.97 3g1f s LEU 122 Ca 0.23 0.30 -0.22 0.00 -0.22 0.00 0.00 54.13 54.22 3g1f s LEU 122 Cb -0.15 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.19 3g1f s LEU 122 CO 0.09 -0.12 0.73 -0.22 -1.32 0.00 0.00 176.35 175.51 3g1f s LEU 123 N 1.74 4.44 -0.12 -0.68 2.96 -0.07 -1.57 118.68 125.38 3g1f s LEU 123 Ca 0.14 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 3g1f s LEU 123 Cb -0.15 -2.77 -0.26 0.00 0.50 0.00 0.00 46.19 43.51 3g1f s LEU 123 CO 0.09 -0.91 0.35 0.35 -1.32 0.00 0.00 176.35 174.91 3g1f n THR 124 N 5.96 1.76 -3.88 3.68 -2.24 -1.20 -3.24 114.28 115.12 3g1f n THR 124 Ca -0.01 -0.66 -0.17 0.00 -2.27 0.00 0.00 64.05 60.94 3g1f n THR 124 Cb 0.47 -1.67 -0.16 0.00 -2.10 0.00 0.00 70.33 66.87 3g1f n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3g1f s GLU 125 N -2.56 0.26 0.92 -0.78 2.12 -1.26 -4.31 118.70 113.09 3g1f s GLU 125 Ca -0.22 0.12 -0.14 0.00 0.36 0.00 0.00 54.97 55.09 3g1f s GLU 125 Cb 0.07 -0.50 0.19 0.00 0.26 0.00 0.00 34.13 34.15 3g1f s GLU 125 CO 0.76 -0.17 1.27 -1.64 -0.54 0.00 0.00 175.26 174.95 3g1f s MET 126 N 1.19 0.83 -0.12 4.30 -1.94 -1.26 -3.64 119.30 118.66 3g1f s MET 126 Ca -0.07 -0.51 0.13 0.00 -1.71 0.00 0.00 55.69 53.53 3g1f s MET 126 Cb -0.13 -1.92 -0.19 0.00 2.01 0.00 0.00 34.83 34.59 3g1f s MET 126 CO -0.02 -2.25 0.10 -1.13 -0.01 0.00 0.00 175.02 171.71 3g1f n SER 127 N -3.61 1.44 -4.70 3.03 3.41 -1.26 -4.58 113.62 107.34 3g1f n SER 127 Ca 0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.46 3g1f n SER 127 Cb 0.60 1.02 0.15 0.00 -0.26 0.00 0.00 64.21 65.71 3g1f n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3g1f s HIS 128 N -2.49 2.23 0.14 7.33 -3.43 -1.26 -4.79 115.29 113.02 3g1f s HIS 128 Ca -0.07 1.23 -0.20 0.00 -0.80 0.00 0.00 55.06 55.22 3g1f s HIS 128 Cb 0.05 -3.18 0.02 0.00 -1.43 0.00 0.00 32.58 28.05 3g1f s HIS 128 CO 0.60 -2.54 1.68 -1.35 -2.00 0.00 0.00 174.74 171.13 3g1f h PRO 129 N -1.65 -0.07 0.00 -0.38 0.11 -2.01 -2.76 132.00 125.25 3g1f h PRO 129 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3g1f h PRO 129 Cb 1.29 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3g1f h PRO 129 CO 0.54 -0.04 0.42 0.78 -0.21 0.00 0.00 178.00 179.49 3g1f h GLY 130 N -0.07 0.00 1.87 -0.55 0.00 -2.00 -1.47 103.07 100.85 3g1f h GLY 130 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3g1f h GLY 130 CO -0.30 0.00 0.04 0.00 0.00 0.00 0.00 176.54 176.28 3g1f h ALA 131 N 1.07 1.84 0.00 3.60 0.00 -1.84 -1.75 119.26 122.18 3g1f h ALA 131 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3g1f h ALA 131 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3g1f h ALA 131 CO 0.00 0.13 -0.21 0.93 0.00 0.00 0.00 179.25 180.10 3g1f h GLU 132 N 0.18 0.00 0.49 0.00 5.08 -1.48 -0.46 114.58 118.38 3g1f h GLU 132 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3g1f h GLU 132 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3g1f h GLU 132 CO -0.00 0.21 -0.38 1.98 -1.00 0.00 0.00 179.01 179.82 3g1f h MET 133 N 0.00 -0.80 0.00 2.33 4.05 -1.51 -3.40 114.93 115.60 3g1f h MET 133 Ca -0.00 0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.41 3g1f h MET 133 Cb 0.43 0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 3g1f h MET 133 CO 0.03 -0.54 -1.23 1.19 0.23 0.00 0.00 176.91 176.59 3g1f n PHE 134 N -4.73 0.00 -0.10 1.39 3.01 -1.23 -4.82 117.46 110.99 3g1f n PHE 134 Ca -0.10 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.26 3g1f n PHE 134 Cb 0.36 -0.15 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 3g1f n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3g1f h ILE 135 N -0.09 1.18 -0.72 4.37 2.04 -1.76 -3.19 117.51 119.34 3g1f h ILE 135 Ca -0.10 -0.53 0.15 0.00 1.00 0.00 0.00 64.86 65.38 3g1f h ILE 135 Cb 1.11 0.97 -0.13 0.00 -0.74 0.00 0.00 36.82 38.02 3g1f h ILE 135 CO -0.04 0.19 -0.13 -0.61 0.00 0.00 0.00 178.15 177.55 3g1f h GLN 136 N 0.34 0.02 0.00 2.37 4.15 -1.30 0.38 115.11 121.07 3g1f h GLN 136 Ca 0.10 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3g1f h GLN 136 Cb 0.17 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3g1f h GLN 136 CO -0.01 0.02 0.00 0.41 -1.93 0.00 0.00 178.83 177.32 3g1f n GLY 137 N -1.46 -0.17 0.00 2.39 0.00 -1.20 -1.83 105.19 102.91 3g1f n GLY 137 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3g1f n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f n ALA 138 N -0.96 0.85 -0.32 4.61 0.00 0.11 -4.85 120.51 119.95 3g1f n ALA 138 Ca 0.04 -0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.62 3g1f n ALA 138 Cb 0.02 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.83 3g1f n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1f h ALA 139 N 0.00 1.44 -0.16 0.00 0.00 -0.17 0.28 119.26 120.66 3g1f h ALA 139 Ca 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 3g1f h ALA 139 Cb 0.06 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3g1f h ALA 139 CO 0.00 -0.62 -0.45 -0.44 0.00 0.00 0.00 179.25 177.74 3g1f h ASP 140 N 0.08 0.67 0.17 0.00 3.32 -1.88 -1.47 116.42 117.30 3g1f h ASP 140 Ca 0.64 -0.59 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3g1f h ASP 140 Cb 1.43 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3g1f h ASP 140 CO -0.80 1.14 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.31 3g1f h GLU 141 N 0.23 -0.43 -0.66 3.56 5.08 -1.17 0.12 114.58 121.31 3g1f h GLU 141 Ca -0.01 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3g1f h GLU 141 Cb 1.07 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 3g1f h GLU 141 CO 0.10 -0.29 0.25 0.82 -1.00 0.00 0.00 179.01 178.88 3g1f h ILE 142 N -0.45 0.72 0.28 3.13 2.04 -0.60 -0.33 117.51 122.31 3g1f h ILE 142 Ca 0.01 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3g1f h ILE 142 Cb 0.44 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3g1f h ILE 142 CO -0.09 0.08 -0.13 0.00 0.00 0.00 0.00 178.15 178.01 3g1f h ALA 143 N 1.47 -0.38 -0.59 1.87 0.00 -0.66 0.60 119.26 121.58 3g1f h ALA 143 Ca 0.34 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.25 3g1f h ALA 143 Cb 0.46 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 3g1f h ALA 143 CO -0.35 -0.70 0.22 0.00 0.00 0.00 0.00 179.25 178.43 3g1f h ARG 144 N -0.40 0.39 -0.53 0.00 3.08 -0.59 0.44 114.38 116.78 3g1f h ARG 144 Ca -0.04 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.09 3g1f h ARG 144 Cb 0.31 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 3g1f h ARG 144 CO 0.06 0.26 0.05 1.98 -1.07 0.00 0.00 179.97 181.26 3g1f h MET 145 N 0.41 0.17 -0.36 0.04 4.05 -0.57 0.59 114.93 119.27 3g1f h MET 145 Ca 0.29 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.77 3g1f h MET 145 Cb 0.34 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 3g1f h MET 145 CO -0.29 0.11 0.25 0.78 0.23 0.00 0.00 176.91 177.99 3g1f h GLY 146 N 0.17 0.20 0.38 1.39 0.00 0.13 -0.91 103.07 104.43 3g1f h GLY 146 Ca 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 3g1f h GLY 146 CO -0.40 0.05 -0.24 -2.08 0.00 0.00 0.00 176.54 173.87 3g1f h VAL 147 N 0.16 1.59 0.00 4.60 2.07 0.10 0.84 116.25 125.61 3g1f h VAL 147 Ca 0.16 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.62 3g1f h VAL 147 Cb 0.45 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3g1f h VAL 147 CO -0.02 0.56 0.00 0.47 0.02 0.00 0.00 177.57 178.59 3g1f n ASP 148 N -4.51 0.30 -0.02 0.57 8.00 0.63 -1.51 116.55 120.02 3g1f n ASP 148 Ca -0.10 0.60 0.07 0.00 0.71 0.00 0.00 54.79 56.07 3g1f n ASP 148 Cb 0.52 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.81 3g1f n ASP 148 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3g1f n LEU 149 N -1.86 0.09 0.00 0.64 7.99 -0.38 -5.01 117.00 118.47 3g1f n LEU 149 Ca 0.02 0.04 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 3g1f n LEU 149 Cb 0.13 0.08 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 3g1f n LEU 149 CO 0.12 0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.69 3g1f n GLY 150 N 1.34 1.19 3.77 -0.72 0.00 -0.49 -5.07 105.19 105.20 3g1f n GLY 150 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3g1f n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1f s VAL 151 N -2.00 2.54 -0.26 1.61 1.01 0.28 -4.90 120.40 118.68 3g1f s VAL 151 Ca 0.00 0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.53 3g1f s VAL 151 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3g1f s VAL 151 CO 0.00 0.11 0.26 0.29 0.00 0.00 0.00 175.10 175.77 3g1f n LYS 152 N 1.13 4.41 -4.77 2.72 5.02 -1.26 -4.67 118.16 120.74 3g1f n LYS 152 Ca 0.02 -0.16 -0.26 0.00 -2.02 0.00 0.00 58.31 55.89 3g1f n LYS 152 Cb 0.41 -0.77 -0.16 0.00 -0.02 0.00 0.00 35.03 34.49 3g1f n LYS 152 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3g1f s ASN 153 N -1.14 2.08 0.14 4.39 0.01 -1.25 0.95 114.94 120.12 3g1f s ASN 153 Ca 0.02 -0.35 0.04 0.00 -0.71 0.00 0.00 52.86 51.86 3g1f s ASN 153 Cb 0.03 -0.73 -0.04 0.00 0.41 0.00 0.00 41.25 40.91 3g1f s ASN 153 CO 0.13 0.11 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.44 3g1f s TYR 154 N 0.27 1.21 -0.18 2.20 1.51 0.23 -2.26 117.35 120.33 3g1f s TYR 154 Ca -0.09 -0.81 0.01 0.00 -1.01 0.00 0.00 57.07 55.18 3g1f s TYR 154 Cb -0.13 -0.64 0.03 0.00 -0.11 0.00 0.00 41.96 41.11 3g1f s TYR 154 CO 0.03 0.02 -0.14 0.08 -1.11 0.00 0.00 175.55 174.43 3g1f s VAL 155 N -3.40 1.73 0.38 0.71 1.01 -0.61 -0.29 120.40 119.94 3g1f s VAL 155 Ca 0.17 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.36 3g1f s VAL 155 Cb 0.03 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.67 3g1f s VAL 155 CO 0.00 0.36 0.01 -0.83 0.00 0.00 0.00 175.10 174.65 3g1f s GLY 156 N 1.40 2.34 -0.23 4.51 0.00 0.59 -3.22 107.32 112.71 3g1f s GLY 156 Ca 0.02 -2.17 -0.22 0.00 0.00 0.00 0.00 44.72 42.35 3g1f s GLY 156 CO -0.10 -2.02 0.70 2.56 0.00 0.00 0.00 173.10 174.23 3g1f s PRO 157 N -3.72 4.18 0.33 2.90 0.04 -1.24 -3.45 135.00 134.03 3g1f s PRO 157 Ca 0.35 0.71 0.25 0.00 0.04 0.00 0.00 61.00 62.35 3g1f s PRO 157 Cb 0.06 -3.62 0.63 0.00 0.04 0.00 0.00 34.50 31.60 3g1f s PRO 157 CO 0.19 -0.37 1.71 1.03 0.04 0.00 0.00 177.00 179.59 3g1f h SER 158 N 7.66 0.00 0.61 6.66 0.87 -1.74 -3.14 113.55 124.47 3g1f h SER 158 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3g1f h SER 158 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 3g1f h SER 158 CO 0.80 0.00 0.00 0.35 -0.53 0.00 0.00 176.83 177.45 3g1f n THR 159 N -2.66 0.21 -3.29 2.23 -2.24 -1.26 -4.15 114.28 103.11 3g1f n THR 159 Ca 0.05 0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.63 3g1f n THR 159 Cb 0.46 -0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 67.99 3g1f n THR 159 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g1f n ARG 160 N -1.36 0.87 -0.33 -0.78 1.74 -1.19 -4.99 116.66 110.64 3g1f n ARG 160 Ca 0.10 -3.45 0.23 0.00 -0.77 0.00 0.00 57.85 53.96 3g1f n ARG 160 Cb 0.23 -1.49 0.44 0.00 -1.02 0.00 0.00 32.46 30.63 3g1f n ARG 160 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3g1f h PRO 161 N 4.43 0.09 -0.36 5.56 0.11 -1.77 0.47 132.00 140.53 3g1f h PRO 161 Ca 0.13 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3g1f h PRO 161 Cb 0.85 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3g1f h PRO 161 CO 0.50 0.06 0.15 1.05 -0.21 0.00 0.00 178.00 179.54 3g1f h GLU 162 N 0.09 0.54 -0.12 1.05 9.09 -1.93 0.43 114.58 123.73 3g1f h GLU 162 Ca 0.71 -0.10 -0.02 0.00 0.05 0.00 0.00 59.36 60.01 3g1f h GLU 162 Cb 1.69 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 28.70 3g1f h GLU 162 CO -0.77 0.52 -0.01 0.00 0.05 0.00 0.00 179.01 178.81 3g1f h ARG 163 N 0.44 0.22 -0.94 1.06 2.47 -0.73 0.39 114.38 117.29 3g1f h ARG 163 Ca 0.12 -0.07 0.07 0.00 -1.26 0.00 0.00 59.98 58.84 3g1f h ARG 163 Cb 0.18 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.42 3g1f h ARG 163 CO -0.01 0.47 0.60 1.25 0.56 0.00 0.00 179.97 182.84 3g1f h LEU 164 N -0.06 0.94 -0.53 3.04 5.85 -0.13 0.47 115.31 124.89 3g1f h LEU 164 Ca 0.03 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 3g1f h LEU 164 Cb 0.38 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3g1f h LEU 164 CO 0.01 0.59 -0.47 -1.28 -0.34 0.00 0.00 178.44 176.95 3g1f h SER 165 N 1.07 0.71 0.03 1.25 0.87 0.12 -2.26 113.55 115.35 3g1f h SER 165 Ca 0.41 -0.35 -0.11 0.00 -1.23 0.00 0.00 61.79 60.52 3g1f h SER 165 Cb 0.19 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3g1f h SER 165 CO -0.18 1.07 -0.33 -0.09 -0.53 0.00 0.00 176.83 176.77 3g1f h ARG 166 N 0.53 0.42 0.01 2.24 9.65 0.15 -3.03 114.38 124.36 3g1f h ARG 166 Ca 0.03 -0.18 -0.24 0.00 -1.10 0.00 0.00 59.98 58.49 3g1f h ARG 166 Cb 1.01 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.58 3g1f h ARG 166 CO 0.09 0.71 -0.98 -0.07 2.80 0.00 0.00 179.97 182.52 3g1f h LEU 167 N 0.37 0.57 -0.71 3.80 3.38 -0.01 -3.01 115.31 119.68 3g1f h LEU 167 Ca 0.04 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.57 3g1f h LEU 167 Cb 0.76 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3g1f h LEU 167 CO 0.06 1.27 0.46 -0.09 0.09 0.00 0.00 178.44 180.23 3g1f h ARG 168 N 0.23 0.88 -0.28 1.13 9.65 -1.37 -1.06 114.38 123.56 3g1f h ARG 168 Ca -0.09 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.71 3g1f h ARG 168 Cb 1.63 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 30.00 3g1f h ARG 168 CO 0.17 0.58 0.06 1.49 2.80 0.00 0.00 179.97 185.07 3g1f h GLU 169 N 0.90 0.40 0.02 0.20 4.81 -1.54 -0.38 114.58 118.99 3g1f h GLU 169 Ca 0.28 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 59.24 3g1f h GLU 169 Cb -0.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3g1f h GLU 169 CO -0.09 0.38 -0.94 0.82 -0.73 0.00 0.00 179.01 178.45 3g1f h ILE 170 N 0.40 1.49 -0.01 2.32 2.04 -1.15 -3.24 117.51 119.35 3g1f h ILE 170 Ca 0.09 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.28 3g1f h ILE 170 Cb 0.18 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3g1f h ILE 170 CO -0.00 0.78 -0.29 2.30 0.00 0.00 0.00 178.15 180.94 3g1f n ILE 171 N -3.65 0.00 0.00 -0.67 -5.35 -0.50 -4.90 119.36 104.29 3g1f n ILE 171 Ca -0.05 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3g1f n ILE 171 Cb 0.84 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 3g1f n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g1f n GLY 172 N 1.36 -1.46 0.03 3.28 0.00 -0.19 -3.97 105.19 104.24 3g1f n GLY 172 Ca 0.11 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.69 3g1f n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g1f n GLN 173 N -1.67 0.15 0.04 1.61 10.64 -1.26 -3.62 117.38 123.26 3g1f n GLN 173 Ca 0.00 -0.06 0.11 0.00 -1.83 0.00 0.00 57.00 55.22 3g1f n GLN 173 Cb 0.00 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 27.87 3g1f n GLN 173 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 3g1f n ASP 174 N -1.38 0.57 -4.78 2.61 3.85 -1.26 -4.90 116.55 111.26 3g1f n ASP 174 Ca 0.08 -0.06 -0.37 0.00 -0.71 0.00 0.00 54.79 53.73 3g1f n ASP 174 Cb 0.33 0.92 -0.03 0.00 -1.35 0.00 0.00 41.12 40.99 3g1f n ASP 174 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 3g1f s SER 175 N -4.34 6.55 -0.20 -1.12 0.01 -1.24 -5.01 113.70 108.36 3g1f s SER 175 Ca 0.01 2.15 -0.17 0.00 1.31 0.00 0.00 55.95 59.25 3g1f s SER 175 Cb 0.13 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 3g1f s SER 175 CO 0.82 -0.64 0.47 0.12 0.41 0.00 0.00 173.24 174.42 3g1f s PHE 176 N -1.60 3.37 -0.08 2.43 5.36 0.27 -4.97 117.98 122.75 3g1f s PHE 176 Ca 0.59 0.70 0.02 0.00 -0.96 0.00 0.00 56.93 57.29 3g1f s PHE 176 Cb -0.25 -2.62 0.01 0.00 -0.34 0.00 0.00 43.02 39.82 3g1f s PHE 176 CO 0.31 -0.08 -0.14 -1.17 -1.46 0.00 0.00 175.22 172.68 3g1f s LEU 177 N 1.55 1.70 0.05 6.12 2.96 -1.26 0.78 118.68 130.59 3g1f s LEU 177 Ca 0.22 -0.36 0.09 0.00 -0.22 0.00 0.00 54.13 53.85 3g1f s LEU 177 Cb -0.15 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 3g1f s LEU 177 CO 0.09 0.04 -0.24 0.27 -1.32 0.00 0.00 176.35 175.19 3g1f s ILE 178 N 0.73 1.97 -0.04 6.68 -4.36 0.61 -0.59 121.20 126.20 3g1f s ILE 178 Ca -0.13 -1.36 -0.02 0.00 -0.26 0.00 0.00 60.65 58.88 3g1f s ILE 178 Cb -0.16 -1.70 0.03 0.00 1.25 0.00 0.00 42.46 41.88 3g1f s ILE 178 CO 0.03 0.27 0.08 -0.94 0.24 0.00 0.00 174.94 174.62 3g1f s SER 179 N -1.32 -0.03 0.38 4.36 1.04 -1.12 -0.30 113.70 116.71 3g1f s SER 179 Ca 0.10 0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.72 3g1f s SER 179 Cb -0.10 0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.16 3g1f s SER 179 CO 0.02 -0.11 0.44 -0.81 0.98 0.00 0.00 173.24 173.77 3g1f n PRO 180 N 3.89 0.62 -0.29 4.02 -0.04 -1.22 -0.66 135.00 141.31 3g1f n PRO 180 Ca -0.23 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 3g1f n PRO 180 Cb 0.53 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 3g1f n PRO 180 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g1f n GLY 181 N 1.31 0.82 3.74 0.55 0.00 -1.25 -2.22 105.19 108.13 3g1f n GLY 181 Ca 0.08 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3g1f n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1f s VAL 182 N -2.00 5.21 0.00 1.61 1.01 -1.26 -1.96 120.40 123.01 3g1f s VAL 182 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3g1f s VAL 182 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3g1f s VAL 182 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3g1f n GLY 183 N 3.14 1.99 0.47 4.51 0.00 -1.02 -4.29 105.19 109.98 3g1f n GLY 183 Ca -0.09 -0.08 0.36 0.00 0.00 0.00 0.00 46.02 46.21 3g1f n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f h ALA 184 N -0.05 2.72 -0.11 4.61 0.00 -1.93 1.73 119.26 126.23 3g1f h ALA 184 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3g1f h ALA 184 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3g1f h ALA 184 CO 0.00 -1.34 0.00 1.04 0.00 0.00 0.00 179.25 178.95 3g1f n GLN 185 N -4.68 2.35 -1.38 0.00 6.02 -1.26 -4.99 117.38 113.44 3g1f n GLN 185 Ca 0.36 -1.98 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 3g1f n GLN 185 Cb 1.40 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 31.19 3g1f n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g1f n GLY 186 N 1.38 -0.22 2.84 1.08 0.00 0.59 -4.93 105.19 105.93 3g1f n GLY 186 Ca 0.15 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 3g1f n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g1f s GLY 187 N -1.98 0.43 -0.32 -0.02 0.00 -0.83 -4.70 107.32 99.90 3g1f s GLY 187 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.38 3g1f s GLY 187 CO 0.00 0.70 1.22 -0.35 0.00 0.00 0.00 173.10 174.67 3g1f s ASP 188 N 1.30 6.75 0.09 1.64 2.15 -1.26 -2.42 116.67 124.92 3g1f s ASP 188 Ca -0.05 1.11 -0.23 0.00 0.43 0.00 0.00 52.55 53.81 3g1f s ASP 188 Cb -0.13 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 39.87 3g1f s ASP 188 CO -0.02 -1.03 1.38 -0.65 -0.17 0.00 0.00 175.17 174.68 3g1f h PRO 189 N 8.89 -0.28 -0.75 4.34 0.11 -1.97 -2.38 132.00 139.96 3g1f h PRO 189 Ca -0.24 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.05 3g1f h PRO 189 Cb 1.08 0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 3g1f h PRO 189 CO 1.04 -0.19 0.20 0.78 -0.21 0.00 0.00 178.00 179.62 3g1f h GLY 190 N -0.30 1.06 1.84 -0.55 0.00 -1.92 0.23 103.07 103.44 3g1f h GLY 190 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3g1f h GLY 190 CO -0.40 -0.19 0.00 1.18 0.00 0.00 0.00 176.54 177.13 3g1f n GLU 191 N -5.13 0.10 -0.07 4.80 -0.58 -1.00 -2.93 120.64 115.83 3g1f n GLU 191 Ca 0.15 0.16 -0.22 0.00 -0.42 0.00 0.00 57.16 56.83 3g1f n GLU 191 Cb 0.47 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.71 3g1f n GLU 191 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3g1f n THR 192 N -1.42 1.63 0.22 2.62 -1.04 0.00 -4.12 114.28 112.18 3g1f n THR 192 Ca 0.06 -0.45 0.02 0.00 -2.04 0.00 0.00 64.05 61.65 3g1f n THR 192 Cb 0.19 -1.77 0.12 0.00 -1.82 0.00 0.00 70.33 67.04 3g1f n THR 192 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3g1f n LEU 193 N -3.78 0.00 0.12 -4.42 4.77 -0.79 -0.61 117.00 112.29 3g1f n LEU 193 Ca -0.38 0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 3g1f n LEU 193 Cb 0.92 -0.25 0.07 0.00 -2.33 0.00 0.00 43.42 41.84 3g1f n LEU 193 CO 0.29 -0.21 0.41 0.03 -1.33 0.00 0.00 177.39 176.57 3g1f h ARG 194 N 0.00 0.00 -0.00 3.23 3.08 -1.71 -3.32 114.38 115.66 3g1f h ARG 194 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g1f h ARG 194 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3g1f h ARG 194 CO 0.00 0.67 -0.02 1.19 -1.07 0.00 0.00 179.97 180.75 3g1f n PHE 195 N -3.47 0.00 -4.29 3.04 0.99 0.11 -5.05 117.46 108.80 3g1f n PHE 195 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.22 3g1f n PHE 195 Cb 0.73 0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 39.09 3g1f n PHE 195 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3g1f s ALA 196 N -0.51 1.73 0.03 4.37 0.00 0.22 -4.75 121.76 122.85 3g1f s ALA 196 Ca 0.01 -1.21 0.13 0.00 0.00 0.00 0.00 51.96 50.89 3g1f s ALA 196 Cb 0.01 -0.23 0.16 0.00 0.00 0.00 0.00 23.12 23.06 3g1f s ALA 196 CO 0.02 0.34 1.48 -0.44 0.00 0.00 0.00 175.76 177.17 3g1f h ASP 197 N 4.14 0.00 -3.81 0.00 3.32 -1.15 -3.39 116.42 115.54 3g1f h ASP 197 Ca -0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3g1f h ASP 197 Cb 1.18 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.52 3g1f h ASP 197 CO 0.40 0.61 0.13 0.00 -1.72 0.00 0.00 179.24 178.66 3g1f s ALA 198 N -3.10 -1.81 0.28 3.45 0.00 -1.23 -4.69 121.76 114.66 3g1f s ALA 198 Ca 0.02 2.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.96 3g1f s ALA 198 Cb 0.09 -1.23 -0.07 0.00 0.00 0.00 0.00 23.12 21.91 3g1f s ALA 198 CO 0.75 -0.34 0.63 0.96 0.00 0.00 0.00 175.76 177.76 3g1f s ILE 199 N 0.58 4.85 -0.27 0.00 -4.36 0.04 -2.80 121.20 119.22 3g1f s ILE 199 Ca -0.01 0.59 -0.05 0.00 -0.26 0.00 0.00 60.65 60.92 3g1f s ILE 199 Cb -0.05 -3.64 0.01 0.00 1.25 0.00 0.00 42.46 40.03 3g1f s ILE 199 CO -0.03 -0.18 0.04 -0.63 0.24 0.00 0.00 174.94 174.38 3g1f s ILE 200 N -1.96 3.70 -0.13 8.37 1.01 0.16 -0.76 121.20 131.59 3g1f s ILE 200 Ca 0.50 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3g1f s ILE 200 Cb -0.11 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 3g1f s ILE 200 CO 0.22 0.15 -0.19 -0.69 0.00 0.00 0.00 174.94 174.44 3g1f s VAL 201 N 1.47 2.46 0.00 2.92 1.01 -0.30 -3.94 120.40 124.01 3g1f s VAL 201 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3g1f s VAL 201 Cb -0.17 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3g1f s VAL 201 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3g1f n GLY 202 N 3.74 0.68 0.32 4.51 0.00 -1.26 0.12 105.19 113.31 3g1f n GLY 202 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3g1f n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g1f h ARG 203 N 0.00 0.53 -0.17 1.61 3.08 -1.92 0.89 114.38 118.39 3g1f h ARG 203 Ca 0.00 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3g1f h ARG 203 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3g1f h ARG 203 CO 0.00 0.35 0.33 0.77 -1.07 0.00 0.00 179.97 180.34 3g1f h SER 204 N 0.54 0.00 0.00 7.04 0.02 -1.91 0.93 113.55 120.17 3g1f h SER 204 Ca 0.55 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.21 3g1f h SER 204 Cb 0.96 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 3g1f h SER 204 CO -0.45 0.00 -2.04 -0.38 -1.14 0.00 0.00 176.83 172.81 3g1f n ILE 205 N -3.34 1.04 1.61 3.27 5.41 0.19 -4.23 119.36 123.31 3g1f n ILE 205 Ca 0.02 -0.35 0.14 0.00 1.00 0.00 0.00 62.75 63.56 3g1f n ILE 205 Cb 0.43 -1.36 0.63 0.00 -0.71 0.00 0.00 39.64 38.63 3g1f n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g1f n TYR 206 N -3.32 0.00 -0.01 1.39 0.18 -0.49 -3.61 117.16 111.29 3g1f n TYR 206 Ca -0.34 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.44 3g1f n TYR 206 Cb 0.81 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.76 3g1f n TYR 206 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3g1f n LEU 207 N -0.18 1.74 -4.88 -3.48 4.77 0.31 -5.01 117.00 110.27 3g1f n LEU 207 Ca 0.20 -1.74 -0.35 0.00 -0.03 0.00 0.00 56.01 54.10 3g1f n LEU 207 Cb 0.29 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3g1f n LEU 207 CO 0.17 0.43 0.01 0.00 -1.33 0.00 0.00 177.39 176.68 3g1f s ALA 208 N -0.74 3.79 0.28 -1.18 0.00 -1.24 -4.98 121.76 117.68 3g1f s ALA 208 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.56 3g1f s ALA 208 Cb 0.00 -2.17 0.83 0.00 0.00 0.00 0.00 23.12 21.78 3g1f s ALA 208 CO 0.00 0.61 1.31 -0.25 0.00 0.00 0.00 175.76 177.42 3g1f n ASP 209 N 1.03 0.06 -4.14 0.00 9.92 -1.26 -4.09 116.55 118.06 3g1f n ASP 209 Ca -0.10 1.40 -0.29 0.00 -0.53 0.00 0.00 54.79 55.28 3g1f n ASP 209 Cb 0.53 -0.58 -0.17 0.00 -0.64 0.00 0.00 41.12 40.26 3g1f n ASP 209 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3g1f s ASN 210 N -4.85 2.49 0.00 -2.24 2.47 -1.26 -5.08 114.94 106.47 3g1f s ASN 210 Ca -0.09 -0.44 0.00 0.00 0.42 0.00 0.00 52.86 52.75 3g1f s ASN 210 Cb 0.26 -1.07 0.00 0.00 -1.45 0.00 0.00 41.25 38.98 3g1f s ASN 210 CO 0.65 0.12 0.59 -2.65 -3.72 0.00 0.00 177.10 172.08 3g1f n PRO 211 N 3.56 0.00 -0.21 0.43 -0.02 -1.26 -3.29 135.00 134.21 3g1f n PRO 211 Ca -0.20 0.34 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 3g1f n PRO 211 Cb 0.52 -1.19 0.10 0.00 -0.02 0.00 0.00 33.50 32.92 3g1f n PRO 211 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g1f h ALA 212 N -2.00 0.62 0.39 3.55 0.00 -1.88 -2.97 119.26 116.97 3g1f h ALA 212 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3g1f h ALA 212 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3g1f h ALA 212 CO 0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 179.25 178.67 3g1f h ALA 213 N 1.57 -0.53 -0.99 0.00 0.00 -1.89 -1.52 119.26 115.91 3g1f h ALA 213 Ca 0.33 -0.14 0.27 0.00 0.00 0.00 0.00 54.91 55.36 3g1f h ALA 213 Cb 0.53 0.20 -0.19 0.00 0.00 0.00 0.00 17.79 18.34 3g1f h ALA 213 CO -0.54 -0.75 -0.00 0.00 0.00 0.00 0.00 179.25 177.96 3g1f n ALA 214 N -2.37 0.48 -0.07 0.00 0.00 -1.13 0.60 120.51 118.02 3g1f n ALA 214 Ca -0.11 1.07 -0.14 0.00 0.00 0.00 0.00 53.44 54.26 3g1f n ALA 214 Cb 0.25 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 3g1f n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1f h ALA 215 N 1.98 0.50 -0.22 0.00 0.00 -1.48 -3.06 119.26 117.00 3g1f h ALA 215 Ca 0.59 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3g1f h ALA 215 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3g1f h ALA 215 CO -0.94 0.68 0.07 0.00 0.00 0.00 0.00 179.25 179.06 3g1f h ALA 216 N 0.73 0.28 -0.58 0.00 0.00 0.12 -2.70 119.26 117.11 3g1f h ALA 216 Ca 0.02 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3g1f h ALA 216 Cb 1.14 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3g1f h ALA 216 CO 0.12 -0.09 0.25 0.78 0.00 0.00 0.00 179.25 180.31 3g1f h GLY 217 N 0.18 0.82 2.00 0.00 0.00 -0.49 -0.05 103.07 105.54 3g1f h GLY 217 Ca 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3g1f h GLY 217 CO -0.00 0.04 -0.13 1.19 0.00 0.00 0.00 176.54 177.64 3g1f h ILE 218 N 0.46 1.07 -0.52 2.60 6.09 -1.45 -1.40 117.51 124.36 3g1f h ILE 218 Ca 0.28 -0.44 -0.08 0.00 -1.37 0.00 0.00 64.86 63.24 3g1f h ILE 218 Cb 0.28 1.24 -0.02 0.00 0.47 0.00 0.00 36.82 38.79 3g1f h ILE 218 CO -0.25 0.13 0.00 0.40 -3.07 0.00 0.00 178.15 175.36 3g1f h ILE 219 N 0.00 1.25 0.00 2.19 2.04 -0.68 -1.56 117.51 120.75 3g1f h ILE 219 Ca -0.00 -1.06 -0.08 0.00 1.00 0.00 0.00 64.86 64.72 3g1f h ILE 219 Cb 0.23 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3g1f h ILE 219 CO 0.02 0.38 -0.39 -0.08 0.00 0.00 0.00 178.15 178.07 3g1f h GLU 220 N 0.82 0.00 -0.45 2.37 4.22 -0.82 0.47 114.58 121.18 3g1f h GLU 220 Ca 0.15 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.62 3g1f h GLU 220 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3g1f h GLU 220 CO 0.02 0.39 0.30 1.03 -2.18 0.00 0.00 179.01 178.57 3g1f h SER 221 N 0.00 0.46 -0.11 1.04 0.87 -0.46 -2.47 113.55 112.88 3g1f h SER 221 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3g1f h SER 221 Cb 0.83 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3g1f h SER 221 CO 0.05 0.33 0.00 2.30 -0.53 0.00 0.00 176.83 178.98 3g1f n ILE 222 N -4.47 0.73 0.26 2.23 -5.35 -0.95 -4.66 119.36 107.13 3g1f n ILE 222 Ca 0.04 -0.86 0.08 0.00 -0.27 0.00 0.00 62.75 61.74 3g1f n ILE 222 Cb 0.11 0.66 0.44 0.00 -1.74 0.00 0.00 39.64 39.12 3g1f n ILE 222 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3g1f h LYS 223 N 0.91 0.00 -0.44 6.28 3.64 0.43 0.33 116.57 127.71 3g1f h LYS 223 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3g1f h LYS 223 Cb 0.49 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 3g1f h LYS 223 CO 0.00 0.00 0.13 -0.44 -2.27 0.00 0.00 179.45 176.87 3g1f h ASP 224 N 0.00 0.11 -0.01 4.20 5.19 -1.83 -3.50 116.42 120.58 3g1f h ASP 224 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3g1f h ASP 224 Cb 0.94 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.50 3g1f h ASP 224 CO 0.00 0.10 0.00 -0.11 -3.12 0.00 0.00 179.24 176.11