#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gaf n PRO 6 N 0.00 1.12 -0.42 1.43 -0.04 -1.26 -3.80 135.00 132.04 3gaf n PRO 6 Ca 0.00 -0.18 0.05 0.00 -0.04 0.00 0.00 63.50 63.32 3gaf n PRO 6 Cb 0.00 -1.33 0.21 0.00 -0.04 0.00 0.00 33.50 32.34 3gaf n PRO 6 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3gaf n PHE 7 N -0.62 0.98 -4.17 0.54 3.72 -1.26 -1.42 117.46 115.23 3gaf n PHE 7 Ca 0.15 -0.37 -0.27 0.00 -0.05 0.00 0.00 57.45 56.92 3gaf n PHE 7 Cb 0.11 -0.23 -0.07 0.00 -0.94 0.00 0.00 39.48 38.35 3gaf n PHE 7 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3gaf s HIS 8 N -1.82 2.93 -0.67 1.38 3.76 -1.25 -4.94 115.29 114.68 3gaf s HIS 8 Ca 0.30 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.12 3gaf s HIS 8 Cb 0.21 -1.43 0.39 0.00 1.11 0.00 0.00 32.58 32.85 3gaf s HIS 8 CO 0.12 0.51 1.70 1.28 -0.85 0.00 0.00 174.74 177.50 3gaf n LEU 9 N -0.04 6.54 -4.69 0.89 4.77 0.28 -4.52 117.00 120.24 3gaf n LEU 9 Ca -0.10 -4.87 -0.44 0.00 -0.03 0.00 0.00 56.01 50.57 3gaf n LEU 9 Cb 0.54 -0.83 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 3gaf n LEU 9 CO 0.40 1.89 1.31 0.59 -1.33 0.00 0.00 177.39 180.25 3gaf n ASN 10 N -0.58 3.55 -0.48 -1.43 3.02 -1.25 -2.03 115.26 116.05 3gaf n ASN 10 Ca 0.50 1.05 -0.06 0.00 -0.03 0.00 0.00 54.58 56.04 3gaf n ASN 10 Cb 0.47 -1.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.12 3gaf n ASN 10 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gaf n ASP 11 N 4.15 -4.50 -4.88 6.41 9.92 -1.25 -4.99 116.55 121.40 3gaf n ASP 11 Ca 0.17 0.15 -0.31 0.00 -0.53 0.00 0.00 54.79 54.28 3gaf n ASP 11 Cb 0.32 -2.55 -0.04 0.00 -0.64 0.00 0.00 41.12 38.20 3gaf n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gaf s ALA 12 N -1.98 3.54 -0.19 2.24 0.00 -0.86 -4.96 121.76 119.54 3gaf s ALA 12 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.62 3gaf s ALA 12 Cb 0.00 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.71 3gaf s ALA 12 CO 0.00 0.33 -0.13 0.08 0.00 0.00 0.00 175.76 176.03 3gaf s VAL 13 N -2.01 1.79 -0.14 0.00 1.01 -1.26 -0.70 120.40 119.09 3gaf s VAL 13 Ca 0.47 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3gaf s VAL 13 Cb -0.11 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3gaf s VAL 13 CO 0.26 0.28 -0.16 0.00 0.00 0.00 0.00 175.10 175.48 3gaf s ALA 14 N 1.35 2.49 -0.21 5.51 0.00 -0.17 -0.85 121.76 129.88 3gaf s ALA 14 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 3gaf s ALA 14 Cb -0.15 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 3gaf s ALA 14 CO -0.09 0.09 0.47 0.42 0.00 0.00 0.00 175.76 176.64 3gaf s ILE 15 N 0.63 5.13 -0.24 0.00 1.01 0.18 -0.24 121.20 127.68 3gaf s ILE 15 Ca -0.09 0.84 -0.00 0.00 0.00 0.00 0.00 60.65 61.41 3gaf s ILE 15 Cb -0.16 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 38.55 3gaf s ILE 15 CO 0.03 0.19 -0.10 -0.69 0.00 0.00 0.00 174.94 174.37 3gaf s VAL 16 N 1.64 2.56 0.46 2.92 1.01 -0.39 -0.82 120.40 127.77 3gaf s VAL 16 Ca 0.22 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 3gaf s VAL 16 Cb -0.15 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3gaf s VAL 16 CO 0.09 0.21 0.70 0.42 0.00 0.00 0.00 175.10 176.52 3gaf s THR 17 N 1.27 4.07 -1.44 3.92 -4.23 -1.01 -1.34 115.64 116.88 3gaf s THR 17 Ca -0.01 -0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 60.11 3gaf s THR 17 Cb -0.17 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.15 3gaf s THR 17 CO -0.06 -0.39 0.01 0.61 -0.54 0.00 0.00 174.62 174.24 3gaf n GLY 18 N -2.14 -0.12 1.16 3.99 0.00 -0.98 -3.48 105.19 103.61 3gaf n GLY 18 Ca 0.01 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.24 3gaf n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gaf n ALA 19 N -4.34 3.55 0.11 4.61 0.00 0.13 -4.50 120.51 120.07 3gaf n ALA 19 Ca -0.30 -2.48 -0.01 0.00 0.00 0.00 0.00 53.44 50.64 3gaf n ALA 19 Cb 0.65 -0.82 0.24 0.00 0.00 0.00 0.00 19.45 19.52 3gaf n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gaf h ALA 20 N 1.83 1.14 -2.73 0.00 0.00 -1.82 -3.08 119.26 114.60 3gaf h ALA 20 Ca 0.09 -0.41 -0.37 0.00 0.00 0.00 0.00 54.91 54.22 3gaf h ALA 20 Cb 1.65 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 3gaf h ALA 20 CO 0.35 0.58 -0.55 0.00 0.00 0.00 0.00 179.25 179.63 3gaf s ALA 21 N -4.11 1.57 0.00 0.00 0.00 -1.26 -4.80 121.76 113.15 3gaf s ALA 21 Ca -0.04 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.03 3gaf s ALA 21 Cb 0.13 1.42 0.00 0.00 0.00 0.00 0.00 23.12 24.67 3gaf s ALA 21 CO 0.76 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.31 3gaf n GLY 22 N -0.46 3.09 0.14 0.00 0.00 -1.26 -2.30 105.19 104.40 3gaf n GLY 22 Ca 0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 3gaf n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gaf h ILE 23 N 0.00 1.22 -0.42 -0.61 2.04 -1.93 -2.16 117.51 115.65 3gaf h ILE 23 Ca 0.00 -0.73 0.09 0.00 1.00 0.00 0.00 64.86 65.21 3gaf h ILE 23 Cb 0.00 1.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.23 3gaf h ILE 23 CO 0.00 0.23 -0.13 1.23 0.00 0.00 0.00 178.15 179.49 3gaf h GLY 24 N 0.22 0.26 0.97 5.37 0.00 -1.77 -1.03 103.07 107.08 3gaf h GLY 24 Ca 0.08 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 3gaf h GLY 24 CO 0.00 -0.17 0.19 -0.09 0.00 0.00 0.00 176.54 176.47 3gaf h ARG 25 N -0.03 0.73 -0.72 4.80 2.43 -1.28 -1.15 114.38 119.15 3gaf h ARG 25 Ca 0.20 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3gaf h ARG 25 Cb 0.34 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3gaf h ARG 25 CO -0.45 0.65 0.36 0.00 -1.51 0.00 0.00 179.97 179.03 3gaf h ALA 26 N 1.04 1.27 -0.29 2.80 0.00 -1.13 -2.00 119.26 120.96 3gaf h ALA 26 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gaf h ALA 26 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gaf h ALA 26 CO -0.01 0.57 0.12 0.82 0.00 0.00 0.00 179.25 180.74 3gaf h ILE 27 N 1.02 1.17 -0.14 0.00 2.04 -0.84 -1.47 117.51 119.30 3gaf h ILE 27 Ca 0.25 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3gaf h ILE 27 Cb 0.08 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3gaf h ILE 27 CO -0.04 0.18 0.09 0.00 0.00 0.00 0.00 178.15 178.39 3gaf h ALA 28 N 0.96 0.18 -0.89 1.87 0.00 -1.06 0.70 119.26 121.02 3gaf h ALA 28 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3gaf h ALA 28 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3gaf h ALA 28 CO -0.01 -0.32 0.54 0.78 0.00 0.00 0.00 179.25 180.23 3gaf h GLY 29 N 0.19 1.30 1.41 0.00 0.00 -1.33 -2.03 103.07 102.61 3gaf h GLY 29 Ca 0.05 -0.55 -0.21 0.00 0.00 0.00 0.00 47.33 46.62 3gaf h GLY 29 CO -0.01 0.53 -0.82 -0.84 0.00 0.00 0.00 176.54 175.39 3gaf h THR 30 N 1.23 1.34 -0.52 4.70 2.02 -0.89 -1.16 112.91 119.63 3gaf h THR 30 Ca 0.32 -2.16 -0.12 0.00 0.77 0.00 0.00 66.41 65.22 3gaf h THR 30 Cb -0.04 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3gaf h THR 30 CO -0.06 0.66 -0.13 -0.26 0.37 0.00 0.00 175.52 176.11 3gaf h PHE 31 N 0.36 1.14 -0.13 3.16 -1.00 -0.75 -0.26 116.94 119.46 3gaf h PHE 31 Ca -0.06 -0.24 -0.01 0.00 2.81 0.00 0.00 57.97 60.47 3gaf h PHE 31 Cb 1.44 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.72 3gaf h PHE 31 CO 0.07 1.06 0.06 0.00 -1.61 0.00 0.00 178.31 177.89 3gaf h ALA 32 N 0.91 0.17 -0.99 2.45 0.00 -1.33 -0.12 119.26 120.34 3gaf h ALA 32 Ca 0.13 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.10 3gaf h ALA 32 Cb 0.70 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 3gaf h ALA 32 CO 0.05 -0.26 0.61 0.87 0.00 0.00 0.00 179.25 180.53 3gaf h LYS 33 N 0.07 0.88 0.00 0.00 1.79 -1.08 -2.37 116.57 115.86 3gaf h LYS 33 Ca 0.04 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3gaf h LYS 33 Cb 0.14 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3gaf h LYS 33 CO -0.00 0.58 0.00 0.00 -1.08 0.00 0.00 179.45 178.94 3gaf n ALA 34 N -2.35 1.98 0.00 3.86 0.00 -0.12 -4.84 120.51 119.04 3gaf n ALA 34 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3gaf n ALA 34 Cb 0.42 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3gaf n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaf n GLY 35 N 0.64 0.80 3.82 0.00 0.00 -0.89 -0.56 105.19 109.01 3gaf n GLY 35 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3gaf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gaf s ALA 36 N -1.70 3.47 0.00 4.61 0.00 -0.12 -3.85 121.76 124.17 3gaf s ALA 36 Ca 0.00 0.09 -0.27 0.00 0.00 0.00 0.00 51.96 51.78 3gaf s ALA 36 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3gaf s ALA 36 CO 0.00 0.36 0.85 -1.12 0.00 0.00 0.00 175.76 175.85 3gaf s SER 37 N -1.61 7.23 -0.11 0.00 0.01 0.12 -4.06 113.70 115.29 3gaf s SER 37 Ca 0.40 1.48 0.03 0.00 1.31 0.00 0.00 55.95 59.18 3gaf s SER 37 Cb -0.17 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.57 3gaf s SER 37 CO 0.21 -0.14 -0.21 -0.69 0.41 0.00 0.00 173.24 172.82 3gaf s VAL 38 N 0.61 1.86 -0.47 3.43 1.01 -0.36 -0.99 120.40 125.48 3gaf s VAL 38 Ca 0.44 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 3gaf s VAL 38 Cb -0.20 -1.64 0.10 0.00 0.00 0.00 0.00 36.38 34.64 3gaf s VAL 38 CO 0.24 0.51 0.36 -0.69 0.00 0.00 0.00 175.10 175.53 3gaf s VAL 39 N 0.61 4.68 -0.06 2.92 1.01 0.67 -1.34 120.40 128.89 3gaf s VAL 39 Ca -0.13 -1.42 -0.20 0.00 0.00 0.00 0.00 61.98 60.23 3gaf s VAL 39 Cb -0.17 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3gaf s VAL 39 CO 0.04 -0.66 0.57 -0.69 0.00 0.00 0.00 175.10 174.36 3gaf s VAL 40 N 1.50 5.06 0.05 2.92 1.01 0.16 -1.27 120.40 129.84 3gaf s VAL 40 Ca 0.04 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.25 3gaf s VAL 40 Cb -0.25 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3gaf s VAL 40 CO 0.03 0.35 -0.19 -0.89 0.00 0.00 0.00 175.10 174.39 3gaf s THR 41 N 0.35 1.54 -0.02 3.92 2.01 -0.45 -1.33 115.64 121.66 3gaf s THR 41 Ca 0.30 -1.20 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 3gaf s THR 41 Cb -0.17 -1.36 0.08 0.00 0.01 0.00 0.00 72.50 71.07 3gaf s THR 41 CO 0.15 0.12 0.74 -0.62 -0.69 0.00 0.00 174.62 174.32 3gaf s ASP 42 N -1.26 -0.56 0.40 3.53 -1.08 -0.84 0.19 116.67 117.06 3gaf s ASP 42 Ca 0.06 0.42 0.15 0.00 -0.52 0.00 0.00 52.55 52.67 3gaf s ASP 42 Cb -0.09 0.50 1.02 0.00 -1.46 0.00 0.00 42.92 42.89 3gaf s ASP 42 CO 0.02 -0.65 1.86 -0.07 0.52 0.00 0.00 175.17 176.85 3gaf h LEU 43 N 2.59 0.46 -8.16 -1.34 3.38 -1.84 -0.19 115.31 110.21 3gaf h LEU 43 Ca -0.27 0.04 -0.71 0.00 0.09 0.00 0.00 57.88 57.04 3gaf h LEU 43 Cb 1.19 -0.04 -0.28 0.00 0.09 0.00 0.00 40.66 41.62 3gaf h LEU 43 CO 0.37 0.20 -0.54 -0.54 0.09 0.00 0.00 178.44 178.02 3gaf s LYS 44 N -5.48 2.60 0.23 1.13 1.02 -1.26 -4.55 119.74 113.42 3gaf s LYS 44 Ca -0.09 -1.32 -0.07 0.00 0.02 0.00 0.00 55.97 54.51 3gaf s LYS 44 Cb 0.23 -3.63 0.22 0.00 -0.52 0.00 0.00 37.83 34.12 3gaf s LYS 44 CO 0.78 -0.81 1.87 0.66 -0.92 0.00 0.00 175.35 176.93 3gaf h SER 45 N 8.31 1.13 -0.57 2.83 4.64 -1.85 -1.49 113.55 126.54 3gaf h SER 45 Ca -0.23 -0.09 0.09 0.00 -0.47 0.00 0.00 61.79 61.09 3gaf h SER 45 Cb 1.08 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 3gaf h SER 45 CO 0.68 0.89 0.38 -0.33 -0.87 0.00 0.00 176.83 177.58 3gaf h GLU 46 N 1.28 0.41 -0.10 4.77 3.07 -1.94 0.20 114.58 122.27 3gaf h GLU 46 Ca 0.33 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.14 3gaf h GLU 46 Cb -0.01 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3gaf h GLU 46 CO -0.06 0.27 -0.03 0.78 -1.40 0.00 0.00 179.01 178.58 3gaf h GLY 47 N 0.42 0.20 1.00 -3.84 0.00 -1.68 -1.76 103.07 97.42 3gaf h GLY 47 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3gaf h GLY 47 CO -0.07 0.16 0.31 0.00 0.00 0.00 0.00 176.54 176.94 3gaf h ALA 48 N 0.67 0.61 -0.91 3.60 0.00 -1.30 -2.93 119.26 119.00 3gaf h ALA 48 Ca 0.02 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3gaf h ALA 48 Cb 0.45 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3gaf h ALA 48 CO 0.01 0.07 0.57 0.93 0.00 0.00 0.00 179.25 180.83 3gaf h GLU 49 N 0.65 0.98 -0.87 0.00 5.08 -0.58 -1.52 114.58 118.32 3gaf h GLU 49 Ca 0.18 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3gaf h GLU 49 Cb -0.06 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 28.93 3gaf h GLU 49 CO -0.04 0.65 0.47 0.00 -1.00 0.00 0.00 179.01 179.10 3gaf h ALA 50 N 1.44 1.11 -0.26 3.43 0.00 -1.17 -0.17 119.26 123.65 3gaf h ALA 50 Ca 0.41 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 3gaf h ALA 50 Cb 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gaf h ALA 50 CO -0.19 0.62 -0.57 0.28 0.00 0.00 0.00 179.25 179.38 3gaf h VAL 51 N 1.21 1.28 -0.52 0.00 2.07 -1.28 -2.14 116.25 116.88 3gaf h VAL 51 Ca 0.31 -1.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 3gaf h VAL 51 Cb 0.03 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3gaf h VAL 51 CO -0.05 0.57 0.20 0.00 0.02 0.00 0.00 177.57 178.31 3gaf h ALA 52 N 0.65 1.37 -0.26 1.67 0.00 -1.00 -0.67 119.26 121.03 3gaf h ALA 52 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3gaf h ALA 52 Cb 1.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3gaf h ALA 52 CO 0.13 0.47 -0.11 0.00 0.00 0.00 0.00 179.25 179.73 3gaf h ALA 53 N 1.47 0.36 -0.98 0.00 0.00 -0.92 -0.81 119.26 118.39 3gaf h ALA 53 Ca 0.18 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gaf h ALA 53 Cb 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3gaf h ALA 53 CO -0.02 0.22 0.65 0.00 0.00 0.00 0.00 179.25 180.10 3gaf h ALA 54 N 0.74 1.26 -0.14 0.00 0.00 -1.22 0.52 119.26 120.41 3gaf h ALA 54 Ca 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gaf h ALA 54 Cb 0.62 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gaf h ALA 54 CO 0.04 0.60 0.09 0.82 0.00 0.00 0.00 179.25 180.79 3gaf h ILE 55 N 1.29 1.07 -0.55 0.00 2.04 -0.97 -1.08 117.51 119.31 3gaf h ILE 55 Ca 0.37 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 66.07 3gaf h ILE 55 Cb -0.10 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3gaf h ILE 55 CO -0.09 0.07 0.35 0.03 0.00 0.00 0.00 178.15 178.50 3gaf h ARG 56 N 0.16 0.68 -0.08 2.37 3.08 -0.74 -1.83 114.38 118.02 3gaf h ARG 56 Ca 0.05 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3gaf h ARG 56 Cb 0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3gaf h ARG 56 CO -0.01 0.45 -0.38 1.96 -1.07 0.00 0.00 179.97 180.92 3gaf h GLN 57 N 0.70 0.17 0.00 0.04 1.08 -0.80 -1.94 115.11 114.35 3gaf h GLN 57 Ca 0.21 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3gaf h GLN 57 Cb -0.03 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 3gaf h GLN 57 CO -0.07 0.53 0.00 0.00 -0.95 0.00 0.00 178.83 178.34 3gaf n ALA 58 N -2.47 2.39 -1.37 3.87 0.00 -0.42 -4.86 120.51 117.65 3gaf n ALA 58 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3gaf n ALA 58 Cb 0.44 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3gaf n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaf n GLY 59 N 0.49 0.68 3.32 0.00 0.00 -0.73 -5.07 105.19 103.88 3gaf n GLY 59 Ca 0.15 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 3gaf n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gaf s GLY 60 N -2.67 2.10 -0.20 -0.02 0.00 -0.72 -5.01 107.32 100.81 3gaf s GLY 60 Ca 0.00 -1.93 -0.02 0.00 0.00 0.00 0.00 44.72 42.77 3gaf s GLY 60 CO 0.00 -1.37 -0.10 0.54 0.00 0.00 0.00 173.10 172.17 3gaf s LYS 61 N -3.40 3.26 -0.02 2.90 1.02 -1.26 -4.09 119.74 118.15 3gaf s LYS 61 Ca 0.38 -0.69 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 3gaf s LYS 61 Cb 0.02 -2.83 0.06 0.00 -0.52 0.00 0.00 37.83 34.56 3gaf s LYS 61 CO 0.25 -0.15 0.58 0.00 -0.92 0.00 0.00 175.35 175.11 3gaf s ALA 62 N 1.29 -1.50 0.15 5.17 0.00 -1.26 -1.23 121.76 124.38 3gaf s ALA 62 Ca 0.03 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.05 3gaf s ALA 62 Cb -0.14 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 3gaf s ALA 62 CO -0.05 -0.39 -0.18 0.96 0.00 0.00 0.00 175.76 176.09 3gaf s ILE 63 N -1.57 1.75 -0.05 0.00 -4.36 -0.45 -4.86 121.20 111.66 3gaf s ILE 63 Ca -0.10 -1.84 0.05 0.00 -0.26 0.00 0.00 60.65 58.50 3gaf s ILE 63 Cb -0.01 -1.77 -0.02 0.00 1.25 0.00 0.00 42.46 41.91 3gaf s ILE 63 CO 0.06 -0.29 -0.20 -0.83 0.24 0.00 0.00 174.94 173.92 3gaf s GLY 64 N -2.54 1.40 0.01 6.27 0.00 -1.26 -0.66 107.32 110.55 3gaf s GLY 64 Ca 0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 3gaf s GLY 64 CO 0.06 -0.72 0.03 1.08 0.00 0.00 0.00 173.10 173.55 3gaf s LEU 65 N -0.45 1.99 0.28 0.66 1.43 -0.45 -4.62 118.68 117.53 3gaf s LEU 65 Ca 0.05 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 3gaf s LEU 65 Cb -0.12 0.32 -0.10 0.00 0.03 0.00 0.00 46.19 46.33 3gaf s LEU 65 CO 0.01 -0.34 1.19 -0.70 0.23 0.00 0.00 176.35 176.75 3gaf s GLU 66 N -1.50 4.51 -0.30 1.70 2.12 -1.26 -1.98 118.70 121.99 3gaf s GLU 66 Ca -0.15 1.97 -0.10 0.00 0.36 0.00 0.00 54.97 57.05 3gaf s GLU 66 Cb -0.09 -3.16 0.15 0.00 0.26 0.00 0.00 34.13 31.30 3gaf s GLU 66 CO -0.00 0.01 0.76 0.00 -0.54 0.00 0.00 175.26 175.49 3gaf s ASN 68 N 2.78 6.20 0.12 0.00 3.84 -1.26 -2.84 114.94 123.77 3gaf s ASN 68 Ca -0.00 -1.11 0.09 0.00 0.21 0.00 0.00 52.86 52.04 3gaf s ASN 68 Cb -0.11 -2.35 0.45 0.00 -0.55 0.00 0.00 41.25 38.69 3gaf s ASN 68 CO -0.18 -1.20 1.26 1.33 -2.79 0.00 0.00 177.10 175.52 3gaf n VAL 69 N 5.74 1.61 1.34 -5.21 0.24 -1.26 -0.51 118.33 120.28 3gaf n VAL 69 Ca -0.06 0.57 0.13 0.00 -2.04 0.00 0.00 64.34 62.94 3gaf n VAL 69 Cb 0.44 -1.56 0.43 0.00 -1.47 0.00 0.00 33.84 31.69 3gaf n VAL 69 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gaf n THR 70 N -1.78 0.06 -3.77 3.34 -2.24 -1.26 -4.55 114.28 104.07 3gaf n THR 70 Ca -0.00 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 61.09 3gaf n THR 70 Cb 0.02 0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 68.75 3gaf n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gaf s ASP 71 N -1.90 5.08 0.33 3.42 -1.08 0.34 -5.00 116.67 117.86 3gaf s ASP 71 Ca 0.36 -0.73 0.06 0.00 -0.52 0.00 0.00 52.55 51.72 3gaf s ASP 71 Cb 0.20 -1.87 0.72 0.00 -1.46 0.00 0.00 42.92 40.52 3gaf s ASP 71 CO 0.32 -0.19 1.86 -0.08 0.52 0.00 0.00 175.17 177.59 3gaf h GLU 72 N 8.22 0.78 -0.10 4.34 4.57 -1.87 -1.61 114.58 128.90 3gaf h GLU 72 Ca -0.31 -0.05 -0.22 0.00 -1.18 0.00 0.00 59.36 57.60 3gaf h GLU 72 Cb 1.12 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.55 3gaf h GLU 72 CO 0.60 0.51 -0.83 1.96 -1.18 0.00 0.00 179.01 180.07 3gaf h GLN 73 N 0.80 0.67 -0.52 1.92 1.08 -1.94 -2.55 115.11 114.57 3gaf h GLN 73 Ca 0.47 -0.59 0.05 0.00 -1.45 0.00 0.00 58.65 57.12 3gaf h GLN 73 Cb 0.64 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 3gaf h GLN 73 CO -0.23 1.20 0.26 0.45 -0.95 0.00 0.00 178.83 179.56 3gaf h HIS 74 N 0.44 0.48 -0.00 2.96 3.86 -1.73 -0.12 115.15 121.04 3gaf h HIS 74 Ca -0.07 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3gaf h HIS 74 Cb 1.46 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 3gaf h HIS 74 CO 0.08 0.23 -0.06 0.00 0.86 0.00 0.00 177.93 179.05 3gaf h ARG 75 N 0.51 -0.09 -0.37 2.45 3.08 -1.17 0.13 114.38 118.91 3gaf h ARG 75 Ca 0.23 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.14 3gaf h ARG 75 Cb 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3gaf h ARG 75 CO -0.16 -0.06 -0.32 0.93 -1.07 0.00 0.00 179.97 179.29 3gaf h GLU 76 N -0.10 0.87 -0.53 0.04 5.08 -1.44 -1.62 114.58 116.88 3gaf h GLU 76 Ca 0.02 -0.44 0.10 0.00 -1.00 0.00 0.00 59.36 58.05 3gaf h GLU 76 Cb 0.13 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 3gaf h GLU 76 CO -0.06 1.08 -0.00 0.00 -1.00 0.00 0.00 179.01 179.03 3gaf h ALA 77 N 0.77 0.50 -0.71 3.43 0.00 -0.87 -0.49 119.26 121.88 3gaf h ALA 77 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3gaf h ALA 77 Cb 0.90 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3gaf h ALA 77 CO 0.08 -0.39 0.45 0.28 0.00 0.00 0.00 179.25 179.67 3gaf h VAL 78 N 0.11 1.20 -0.11 0.00 2.07 -0.16 0.12 116.25 119.48 3gaf h VAL 78 Ca 0.27 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3gaf h VAL 78 Cb 0.41 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3gaf h VAL 78 CO -0.45 0.20 0.04 0.40 0.02 0.00 0.00 177.57 177.78 3gaf h ILE 79 N 0.97 1.15 -0.68 4.57 1.08 -0.92 -0.84 117.51 122.84 3gaf h ILE 79 Ca 0.26 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3gaf h ILE 79 Cb -0.06 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 3gaf h ILE 79 CO -0.05 0.13 0.42 0.50 -0.69 0.00 0.00 178.15 178.46 3gaf h LYS 80 N 0.02 0.92 -0.47 2.37 3.64 -0.95 -2.20 116.57 119.89 3gaf h LYS 80 Ca 0.04 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 3gaf h LYS 80 Cb 0.17 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3gaf h LYS 80 CO -0.00 0.65 -0.06 0.00 -2.27 0.00 0.00 179.45 177.77 3gaf h ALA 81 N 1.22 1.00 -0.63 5.00 0.00 -0.73 0.14 119.26 125.27 3gaf h ALA 81 Ca 0.25 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3gaf h ALA 81 Cb -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3gaf h ALA 81 CO -0.05 0.60 0.09 0.00 0.00 0.00 0.00 179.25 179.89 3gaf h ALA 82 N 1.17 0.97 -0.28 0.00 0.00 -0.96 -1.33 119.26 118.83 3gaf h ALA 82 Ca 0.14 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3gaf h ALA 82 Cb 0.54 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gaf h ALA 82 CO 0.03 0.65 -0.30 -0.07 0.00 0.00 0.00 179.25 179.56 3gaf h LEU 83 N 0.97 0.75 -1.89 0.00 3.38 -1.04 -1.39 115.31 116.10 3gaf h LEU 83 Ca 0.19 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3gaf h LEU 83 Cb 0.44 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3gaf h LEU 83 CO 0.01 1.07 0.06 0.44 0.09 0.00 0.00 178.44 180.11 3gaf h ASP 84 N 0.44 0.11 0.13 -0.43 3.32 -0.68 0.18 116.42 119.49 3gaf h ASP 84 Ca 0.04 -0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.83 3gaf h ASP 84 Cb 0.87 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.40 3gaf h ASP 84 CO 0.07 0.09 -1.24 -0.61 -1.72 0.00 0.00 179.24 175.83 3gaf h GLN 85 N 0.13 0.28 0.00 3.56 5.75 -1.16 -3.43 115.11 120.24 3gaf h GLN 85 Ca 0.04 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3gaf h GLN 85 Cb 0.00 0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3gaf h GLN 85 CO -0.01 1.23 0.00 1.19 -2.65 0.00 0.00 178.83 178.59 3gaf n PHE 86 N -3.97 0.00 0.00 3.99 3.72 -0.53 -5.04 117.46 115.63 3gaf n PHE 86 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 3gaf n PHE 86 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 3gaf n PHE 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gaf n GLY 87 N 0.16 2.88 3.59 1.37 0.00 0.63 -4.95 105.19 108.86 3gaf n GLY 87 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3gaf n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gaf s LYS 88 N -0.25 1.48 -0.15 1.61 -2.85 -1.26 -4.94 119.74 113.38 3gaf s LYS 88 Ca 0.00 -1.01 -0.01 0.00 -1.00 0.00 0.00 55.97 53.96 3gaf s LYS 88 Cb 0.00 0.51 0.04 0.00 -2.06 0.00 0.00 37.83 36.32 3gaf s LYS 88 CO 0.00 -0.63 -0.04 0.42 0.10 0.00 0.00 175.35 175.20 3gaf s ILE 89 N -3.92 0.94 -0.01 3.79 1.01 -1.26 -4.63 121.20 117.11 3gaf s ILE 89 Ca 0.13 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.39 3gaf s ILE 89 Cb -0.02 -1.13 -0.13 0.00 0.01 0.00 0.00 42.46 41.19 3gaf s ILE 89 CO 0.02 0.14 0.19 0.35 0.00 0.00 0.00 174.94 175.64 3gaf n THR 90 N 4.94 0.00 -4.17 2.92 -2.24 -0.60 -3.38 114.28 111.75 3gaf n THR 90 Ca -0.11 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.28 3gaf n THR 90 Cb 0.48 0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 68.85 3gaf n THR 90 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gaf s VAL 91 N -2.60 0.52 -0.10 2.28 1.01 -0.03 -1.41 120.40 120.07 3gaf s VAL 91 Ca -0.03 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3gaf s VAL 91 Cb 0.06 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3gaf s VAL 91 CO 0.36 0.21 -0.18 -0.22 0.00 0.00 0.00 175.10 175.28 3gaf s LEU 92 N 0.79 1.85 -0.28 3.92 2.96 -0.64 -0.64 118.68 126.63 3gaf s LEU 92 Ca -0.10 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.35 3gaf s LEU 92 Cb -0.13 -1.15 0.05 0.00 0.50 0.00 0.00 46.19 45.46 3gaf s LEU 92 CO 0.00 0.07 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.38 3gaf s VAL 93 N 0.67 2.72 -1.21 1.68 1.01 -0.00 -1.05 120.40 124.23 3gaf s VAL 93 Ca -0.13 -1.44 -0.14 0.00 0.00 0.00 0.00 61.98 60.27 3gaf s VAL 93 Cb -0.16 -2.56 0.17 0.00 0.00 0.00 0.00 36.38 33.82 3gaf s VAL 93 CO 0.03 -0.06 1.44 0.20 0.00 0.00 0.00 175.10 176.71 3gaf s ASN 94 N 1.21 7.05 0.06 3.32 -0.87 0.40 -2.41 114.94 123.69 3gaf s ASN 94 Ca -0.06 -2.95 0.19 0.00 -1.57 0.00 0.00 52.86 48.46 3gaf s ASN 94 Cb -0.20 -2.41 -0.14 0.00 -0.02 0.00 0.00 41.25 38.48 3gaf s ASN 94 CO -0.02 -0.77 0.76 -3.20 -2.57 0.00 0.00 177.10 171.29 3gaf n ASN 95 N 5.79 0.66 -4.77 -1.22 5.15 -1.26 -2.22 115.26 117.39 3gaf n ASN 95 Ca 0.37 0.28 -0.40 0.00 -0.60 0.00 0.00 54.58 54.23 3gaf n ASN 95 Cb 0.43 0.57 -0.01 0.00 -0.53 0.00 0.00 39.78 40.24 3gaf n ASN 95 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gaf s ALA 96 N -3.08 3.42 0.00 5.20 0.00 -1.23 -4.84 121.76 121.24 3gaf s ALA 96 Ca -0.04 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3gaf s ALA 96 Cb 0.09 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3gaf s ALA 96 CO 0.82 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 176.20 3gaf n GLY 97 N 0.69 -0.96 0.00 0.00 0.00 -1.26 -4.84 105.19 98.82 3gaf n GLY 97 Ca 0.02 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3gaf n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 98 N -0.43 -0.89 0.17 -0.02 0.00 -1.26 -5.01 105.19 97.75 3gaf n GLY 98 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3gaf n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 99 N 0.00 -2.96 0.00 -0.02 0.00 -1.26 -4.87 105.19 96.08 3gaf n GLY 99 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3gaf n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 100 N -0.02 -0.59 3.75 -0.02 0.00 -1.26 -5.08 105.19 101.96 3gaf n GLY 100 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3gaf n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gaf n PRO 101 N 0.00 2.50 -3.73 1.61 -0.02 -1.26 -4.47 135.00 129.63 3gaf n PRO 101 Ca 0.00 0.88 -0.13 0.00 -2.02 0.00 0.00 63.50 62.22 3gaf n PRO 101 Cb 0.00 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 30.81 3gaf n PRO 101 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gaf s LYS 102 N -1.79 0.54 0.79 -0.52 -0.14 -0.35 -5.04 119.74 113.23 3gaf s LYS 102 Ca 0.56 0.42 -0.12 0.00 -1.36 0.00 0.00 55.97 55.47 3gaf s LYS 102 Cb -0.51 0.26 0.07 0.00 -1.68 0.00 0.00 37.83 35.97 3gaf s LYS 102 CO 0.61 -0.09 1.13 -1.25 -0.76 0.00 0.00 175.35 174.99 3gaf s PRO 103 N -0.11 1.94 0.42 -1.68 0.04 -1.26 -4.29 135.00 130.05 3gaf s PRO 103 Ca -0.03 1.40 0.09 0.00 0.04 0.00 0.00 61.00 62.50 3gaf s PRO 103 Cb -0.03 -1.84 0.91 0.00 0.04 0.00 0.00 34.50 33.58 3gaf s PRO 103 CO 0.02 -1.91 2.05 0.35 0.04 0.00 0.00 177.00 177.54 3gaf h PHE 104 N -1.06 0.48 -0.34 0.56 3.57 -2.01 -2.59 116.94 115.55 3gaf h PHE 104 Ca -0.44 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3gaf h PHE 104 Cb 1.25 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.83 3gaf h PHE 104 CO 0.54 0.29 0.00 -0.40 -2.23 0.00 0.00 178.31 176.50 3gaf n ASP 105 N -4.48 3.00 -4.52 0.41 5.75 -1.26 -4.97 116.55 110.48 3gaf n ASP 105 Ca 0.04 -2.32 -0.40 0.00 -0.01 0.00 0.00 54.79 52.11 3gaf n ASP 105 Cb 0.13 -0.48 0.02 0.00 -1.03 0.00 0.00 41.12 39.76 3gaf n ASP 105 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 3gaf n MET 106 N 0.44 0.79 -1.71 0.11 0.00 -0.98 -4.93 117.12 110.85 3gaf n MET 106 Ca 0.14 0.29 -0.40 0.00 0.00 0.00 0.00 57.70 57.74 3gaf n MET 106 Cb 0.60 -1.79 0.03 0.00 0.00 0.00 0.00 33.22 32.05 3gaf n MET 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3gaf n PRO 107 N 0.05 1.75 0.03 3.17 -0.04 -1.26 -4.89 135.00 133.80 3gaf n PRO 107 Ca 0.11 0.63 0.19 0.00 -0.04 0.00 0.00 63.50 64.40 3gaf n PRO 107 Cb 0.43 -2.44 0.70 0.00 -0.04 0.00 0.00 33.50 32.14 3gaf n PRO 107 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3gaf h MET 108 N 1.67 0.00 -0.11 0.54 2.86 -2.00 0.28 114.93 118.18 3gaf h MET 108 Ca -0.49 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.08 3gaf h MET 108 Cb 1.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 3gaf h MET 108 CO 0.58 0.00 -0.23 0.66 1.06 0.00 0.00 176.91 178.98 3gaf h SER 109 N 0.00 0.19 -0.30 1.22 4.64 -1.99 0.39 113.55 117.70 3gaf h SER 109 Ca 0.23 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 3gaf h SER 109 Cb 0.94 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3gaf h SER 109 CO -0.00 0.43 0.05 0.44 -0.87 0.00 0.00 176.83 176.88 3gaf h ASP 110 N 0.18 0.47 -0.20 4.97 3.32 -1.29 -1.72 116.42 122.15 3gaf h ASP 110 Ca 0.03 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3gaf h ASP 110 Cb 0.51 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3gaf h ASP 110 CO 0.03 0.61 0.10 0.15 -1.72 0.00 0.00 179.24 178.41 3gaf h PHE 111 N 0.32 0.29 -0.43 4.55 3.57 -1.35 -2.70 116.94 121.19 3gaf h PHE 111 Ca 0.09 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3gaf h PHE 111 Cb 0.33 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3gaf h PHE 111 CO 0.02 0.30 0.05 0.93 -2.23 0.00 0.00 178.31 177.39 3gaf h GLU 112 N 0.20 0.73 -0.94 1.11 5.08 -0.99 -3.05 114.58 116.72 3gaf h GLU 112 Ca 0.07 -0.21 0.17 0.00 -1.00 0.00 0.00 59.36 58.39 3gaf h GLU 112 Cb 0.12 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 3gaf h GLU 112 CO -0.01 0.77 0.60 2.35 -1.00 0.00 0.00 179.01 181.72 3gaf h TRP 113 N 0.58 0.86 -0.93 4.33 2.91 -1.23 0.04 115.95 122.50 3gaf h TRP 113 Ca 0.13 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 3gaf h TRP 113 Cb 0.41 -0.27 -0.05 0.00 -0.51 0.00 0.00 29.16 28.75 3gaf h TRP 113 CO 0.03 0.27 0.57 0.00 -1.03 0.00 0.00 178.44 178.28 3gaf h ALA 114 N 1.60 1.25 -0.18 2.65 0.00 -1.36 -1.66 119.26 121.56 3gaf h ALA 114 Ca 0.49 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 3gaf h ALA 114 Cb 0.84 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gaf h ALA 114 CO -0.25 0.65 -0.37 0.74 0.00 0.00 0.00 179.25 180.02 3gaf h PHE 115 N 1.29 0.72 -0.54 0.00 0.04 -1.24 0.77 116.94 117.96 3gaf h PHE 115 Ca 0.34 -0.26 0.07 0.00 2.80 0.00 0.00 57.97 60.92 3gaf h PHE 115 Cb -0.07 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 37.89 3gaf h PHE 115 CO 0.00 1.01 0.21 0.87 -0.60 0.00 0.00 178.31 179.81 3gaf h LYS 116 N 0.23 0.40 0.15 1.51 1.79 -0.90 0.34 116.57 120.09 3gaf h LYS 116 Ca 0.01 -0.02 -0.34 0.00 -2.18 0.00 0.00 60.65 58.11 3gaf h LYS 116 Cb 0.97 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3gaf h LYS 116 CO 0.08 0.26 -1.72 1.25 -1.08 0.00 0.00 179.45 178.25 3gaf h LEU 117 N 0.41 0.49 0.02 2.94 5.85 -1.36 -2.39 115.31 121.28 3gaf h LEU 117 Ca 0.26 -0.77 -0.26 0.00 0.84 0.00 0.00 57.88 57.95 3gaf h LEU 117 Cb 0.28 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3gaf h LEU 117 CO -0.25 1.66 -1.41 0.78 -0.34 0.00 0.00 178.44 178.87 3gaf h ASN 118 N 0.09 0.08 0.00 1.25 2.35 -0.78 -3.40 115.58 115.16 3gaf h ASN 118 Ca -0.32 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.29 3gaf h ASN 118 Cb 2.06 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 40.40 3gaf h ASN 118 CO 0.16 1.10 -0.61 -0.11 -1.65 0.00 0.00 177.43 176.31 3gaf n LEU 119 N -3.24 0.73 -0.28 1.61 7.94 0.95 -4.50 117.00 120.20 3gaf n LEU 119 Ca -0.11 0.10 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3gaf n LEU 119 Cb 1.01 -0.24 0.07 0.00 0.53 0.00 0.00 43.42 44.78 3gaf n LEU 119 CO 0.47 -0.34 1.14 -0.26 -1.11 0.00 0.00 177.39 177.29 3gaf h PHE 120 N -0.11 1.05 -0.00 1.96 0.04 -0.86 -0.16 116.94 118.86 3gaf h PHE 120 Ca -0.04 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.72 3gaf h PHE 120 Cb 0.56 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3gaf h PHE 120 CO -0.03 0.72 -0.03 0.66 -0.60 0.00 0.00 178.31 179.03 3gaf h SER 121 N 1.07 -0.08 0.87 2.17 4.64 -1.65 -0.08 113.55 120.48 3gaf h SER 121 Ca 0.28 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.49 3gaf h SER 121 Cb 0.00 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3gaf h SER 121 CO -0.05 -0.05 -0.58 0.17 -0.87 0.00 0.00 176.83 175.45 3gaf h LEU 122 N -0.05 0.00 -0.25 5.97 8.10 -1.71 -2.02 115.31 125.34 3gaf h LEU 122 Ca 0.01 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.98 3gaf h LEU 122 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.28 3gaf h LEU 122 CO -0.03 0.58 0.05 0.15 -4.11 0.00 0.00 178.44 175.08 3gaf h PHE 123 N 0.00 0.43 -0.49 0.17 3.57 -0.87 -2.25 116.94 117.50 3gaf h PHE 123 Ca -0.01 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 3gaf h PHE 123 Cb 1.18 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 3gaf h PHE 123 CO 0.00 0.51 0.07 -0.09 -2.23 0.00 0.00 178.31 176.57 3gaf h ARG 124 N 0.22 0.77 -0.11 1.11 9.65 -0.87 -1.88 114.38 123.27 3gaf h ARG 124 Ca 0.08 -0.17 -0.16 0.00 -1.10 0.00 0.00 59.98 58.62 3gaf h ARG 124 Cb 0.31 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 3gaf h ARG 124 CO 0.00 0.74 -0.61 -0.07 2.80 0.00 0.00 179.97 182.83 3gaf h LEU 125 N 0.73 0.44 -0.39 3.80 3.38 -1.32 -1.92 115.31 120.03 3gaf h LEU 125 Ca 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3gaf h LEU 125 Cb 0.35 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3gaf h LEU 125 CO 0.01 0.95 0.18 0.28 0.09 0.00 0.00 178.44 179.95 3gaf h SER 126 N 0.29 0.51 -0.68 -0.43 0.02 -1.22 -0.39 113.55 111.65 3gaf h SER 126 Ca -0.01 -0.13 0.09 0.00 -0.84 0.00 0.00 61.79 60.90 3gaf h SER 126 Cb 1.15 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.48 3gaf h SER 126 CO 0.10 0.50 0.33 1.56 -1.14 0.00 0.00 176.83 178.18 3gaf h GLN 127 N 0.49 0.55 0.00 3.45 4.20 -1.17 -0.27 115.11 122.37 3gaf h GLN 127 Ca 0.13 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 3gaf h GLN 127 Cb 0.13 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3gaf h GLN 127 CO -0.02 0.36 -0.55 -0.07 -0.67 0.00 0.00 178.83 177.89 3gaf h LEU 128 N 0.57 0.00 0.09 1.46 3.38 -1.14 -3.22 115.31 116.44 3gaf h LEU 128 Ca 0.33 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.00 3gaf h LEU 128 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3gaf h LEU 128 CO -0.27 0.55 -1.63 0.00 0.09 0.00 0.00 178.44 177.18 3gaf h ALA 129 N 1.45 0.42 -0.26 1.53 0.00 -0.84 -3.41 119.26 118.15 3gaf h ALA 129 Ca -0.01 -1.23 0.06 0.00 0.00 0.00 0.00 54.91 53.74 3gaf h ALA 129 Cb 1.22 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 3gaf h ALA 129 CO 0.07 1.28 -0.27 0.00 0.00 0.00 0.00 179.25 180.33 3gaf h ALA 130 N 0.55 -0.17 -0.15 0.00 0.00 -1.06 -1.97 119.26 116.47 3gaf h ALA 130 Ca -0.27 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3gaf h ALA 130 Cb 2.01 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 20.35 3gaf h ALA 130 CO 0.13 -0.70 -0.08 -1.00 0.00 0.00 0.00 179.25 177.61 3gaf h PRO 131 N -0.27 0.23 -0.77 0.00 0.13 -1.79 -1.58 132.00 127.95 3gaf h PRO 131 Ca 0.14 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 3gaf h PRO 131 Cb 0.49 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 3gaf h PRO 131 CO -0.42 0.32 0.35 0.45 -0.23 0.00 0.00 178.00 178.48 3gaf h HIS 132 N 0.23 1.13 -0.53 1.56 3.86 -1.63 -1.74 115.15 118.03 3gaf h HIS 132 Ca 0.05 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 3gaf h HIS 132 Cb 0.29 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3gaf h HIS 132 CO 0.00 0.84 -0.03 0.52 0.86 0.00 0.00 177.93 180.12 3gaf h MET 133 N 1.10 0.92 -0.23 2.45 2.86 -0.67 -2.23 114.93 119.13 3gaf h MET 133 Ca 0.26 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3gaf h MET 133 Cb 0.15 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3gaf h MET 133 CO -0.03 0.93 0.10 0.37 1.06 0.00 0.00 176.91 179.34 3gaf h GLN 134 N 0.84 0.34 -0.26 1.72 4.15 -1.21 -0.62 115.11 120.06 3gaf h GLN 134 Ca 0.15 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.59 3gaf h GLN 134 Cb 0.54 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3gaf h GLN 134 CO 0.03 0.38 0.21 0.87 -1.93 0.00 0.00 178.83 178.39 3gaf h LYS 135 N 0.22 0.00 -0.37 1.69 1.79 -1.18 -0.02 116.57 118.71 3gaf h LYS 135 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3gaf h LYS 135 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3gaf h LYS 135 CO -0.01 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.36 3gaf n ALA 136 N -2.53 2.45 -3.16 3.86 0.00 -0.85 -4.94 120.51 115.33 3gaf n ALA 136 Ca 0.03 -0.69 -0.15 0.00 0.00 0.00 0.00 53.44 52.63 3gaf n ALA 136 Cb 0.36 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.87 3gaf n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaf n GLY 137 N 1.16 -0.02 0.00 0.00 0.00 -0.02 -4.95 105.19 101.36 3gaf n GLY 137 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3gaf n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 138 N -1.45 4.82 3.50 -0.02 0.00 -0.27 -5.03 105.19 106.74 3gaf n GLY 138 Ca -0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 3gaf n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gaf s GLY 139 N 0.00 0.16 -0.02 -0.02 0.00 -0.77 -4.74 107.32 101.92 3gaf s GLY 139 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.22 3gaf s GLY 139 CO 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 173.10 172.63 3gaf s ALA 140 N -3.92 0.30 -0.06 3.20 0.00 -0.50 -1.93 121.76 118.84 3gaf s ALA 140 Ca 0.14 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.18 3gaf s ALA 140 Cb -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3gaf s ALA 140 CO 0.00 -0.02 -0.08 0.42 0.00 0.00 0.00 175.76 176.08 3gaf s ILE 141 N 0.66 3.58 -0.09 0.00 1.01 0.55 -1.61 121.20 125.30 3gaf s ILE 141 Ca -0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 3gaf s ILE 141 Cb -0.10 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 39.94 3gaf s ILE 141 CO -0.01 0.58 -0.04 -0.22 0.00 0.00 0.00 174.94 175.25 3gaf s LEU 142 N -0.84 0.96 -0.16 2.97 2.96 -0.21 -1.91 118.68 122.44 3gaf s LEU 142 Ca 0.13 -0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 3gaf s LEU 142 Cb -0.11 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.91 3gaf s LEU 142 CO 0.02 -0.14 0.08 0.20 -1.32 0.00 0.00 176.35 175.19 3gaf s ASN 143 N 1.69 5.80 -0.49 3.68 0.01 0.51 -0.46 114.94 125.67 3gaf s ASN 143 Ca 0.02 0.17 -0.19 0.00 -0.71 0.00 0.00 52.86 52.15 3gaf s ASN 143 Cb -0.13 -1.95 0.05 0.00 0.41 0.00 0.00 41.25 39.63 3gaf s ASN 143 CO -0.05 0.23 0.63 -0.63 -1.51 0.00 0.00 177.10 175.77 3gaf s ILE 144 N 0.01 4.86 0.00 0.60 -1.09 -0.94 -1.44 121.20 123.20 3gaf s ILE 144 Ca 0.07 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 3gaf s ILE 144 Cb -0.12 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3gaf s ILE 144 CO 0.01 -0.77 0.00 -0.24 -1.23 0.00 0.00 174.94 172.71 3gaf n SER 145 N 6.20 0.00 -3.59 3.58 2.88 0.14 -4.90 113.62 117.93 3gaf n SER 145 Ca -0.06 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.42 3gaf n SER 145 Cb 0.46 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 3gaf n SER 145 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3gaf s SER 146 N -1.00 -0.23 0.62 -3.46 0.15 -1.26 -4.46 113.70 104.06 3gaf s SER 146 Ca 0.00 0.18 0.40 0.00 0.70 0.00 0.00 55.95 57.23 3gaf s SER 146 Cb 0.00 0.21 2.01 0.00 -1.71 0.00 0.00 66.02 66.52 3gaf s SER 146 CO 0.00 -0.27 2.23 0.24 1.20 0.00 0.00 173.24 176.64 3gaf h MET 147 N 2.25 0.00 0.00 5.44 2.86 -1.79 -2.01 114.93 121.67 3gaf h MET 147 Ca -0.14 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3gaf h MET 147 Cb 1.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 3gaf h MET 147 CO 0.27 0.01 -0.03 0.00 1.06 0.00 0.00 176.91 178.22 3gaf h ALA 148 N 1.99 1.42 0.00 6.32 0.00 -1.90 -0.10 119.26 126.99 3gaf h ALA 148 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gaf h ALA 148 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gaf h ALA 148 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3gaf n GLY 149 N -1.13 -1.06 0.11 0.00 0.00 -0.76 -3.57 105.19 98.79 3gaf n GLY 149 Ca -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 3gaf n GLY 149 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gaf n GLU 150 N -2.06 0.06 -1.81 1.61 4.07 -0.48 -4.10 120.64 117.93 3gaf n GLU 150 Ca 0.01 0.02 -0.30 0.00 -0.06 0.00 0.00 57.16 56.83 3gaf n GLU 150 Cb 0.15 -1.00 0.05 0.00 -0.06 0.00 0.00 31.44 30.58 3gaf n GLU 150 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 3gaf s ASN 151 N -4.35 5.28 -0.03 4.31 0.02 -0.17 -5.08 114.94 114.92 3gaf s ASN 151 Ca -0.04 1.18 0.05 0.00 -1.02 0.00 0.00 52.86 53.04 3gaf s ASN 151 Cb 0.01 -1.97 -0.01 0.00 0.02 0.00 0.00 41.25 39.30 3gaf s ASN 151 CO 0.06 -1.45 -0.19 0.42 0.02 0.00 0.00 177.10 175.96 3gaf s THR 152 N -3.31 1.51 0.15 1.60 -4.23 -1.26 -4.80 115.64 105.30 3gaf s THR 152 Ca 0.59 -0.78 -0.24 0.00 -1.18 0.00 0.00 61.69 60.07 3gaf s THR 152 Cb -0.12 -1.28 0.07 0.00 1.34 0.00 0.00 72.50 72.51 3gaf s THR 152 CO 0.52 0.43 1.01 0.21 -0.54 0.00 0.00 174.62 176.25 3gaf s ASN 153 N -0.16 -0.11 0.71 3.99 3.84 -1.26 -5.15 114.94 116.79 3gaf s ASN 153 Ca 0.00 -0.47 -0.15 0.00 0.21 0.00 0.00 52.86 52.45 3gaf s ASN 153 Cb -0.10 0.47 0.03 0.00 -0.55 0.00 0.00 41.25 41.10 3gaf s ASN 153 CO 0.01 -0.89 1.16 0.54 -2.79 0.00 0.00 177.10 175.13 3gaf s VAL 154 N -2.90 2.67 -1.91 -5.21 0.11 -1.26 -3.98 120.40 107.93 3gaf s VAL 154 Ca 0.15 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 3gaf s VAL 154 Cb -0.01 -2.84 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 3gaf s VAL 154 CO 0.03 -0.19 0.00 0.54 -3.33 0.00 0.00 175.10 172.15 3gaf n ARG 155 N -2.68 -1.57 -0.01 1.54 1.74 -1.26 -4.87 116.66 109.55 3gaf n ARG 155 Ca 0.12 1.08 0.01 0.00 -0.77 0.00 0.00 57.85 58.29 3gaf n ARG 155 Cb 0.51 -5.63 0.02 0.00 -1.02 0.00 0.00 32.46 26.34 3gaf n ARG 155 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3gaf n MET 156 N -2.78 2.66 -0.25 5.56 2.81 -1.26 -1.21 117.12 122.65 3gaf n MET 156 Ca -0.23 -1.58 -0.05 0.00 -1.81 0.00 0.00 57.70 54.03 3gaf n MET 156 Cb 0.68 -1.03 0.01 0.00 -0.71 0.00 0.00 33.22 32.17 3gaf n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gaf h ALA 157 N 0.00 -0.04 0.08 3.04 0.00 -1.87 0.11 119.26 120.59 3gaf h ALA 157 Ca 0.00 0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.81 3gaf h ALA 157 Cb 0.58 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3gaf h ALA 157 CO 0.00 -0.69 -1.50 0.66 0.00 0.00 0.00 179.25 177.72 3gaf h SER 158 N -0.13 0.26 -0.11 0.00 4.64 -1.91 -3.16 113.55 113.14 3gaf h SER 158 Ca 0.25 -0.77 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 3gaf h SER 158 Cb 0.56 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3gaf h SER 158 CO -0.77 1.63 0.01 0.22 -0.87 0.00 0.00 176.83 177.06 3gaf h TYR 159 N -0.44 0.20 -0.45 4.77 3.20 -1.77 -2.05 116.97 120.43 3gaf h TYR 159 Ca -0.35 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.43 3gaf h TYR 159 Cb 1.67 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.87 3gaf h TYR 159 CO 0.11 0.39 0.02 0.78 -1.64 0.00 0.00 178.16 177.82 3gaf h GLY 160 N -0.05 0.84 1.40 1.82 0.00 -0.96 -2.09 103.07 104.03 3gaf h GLY 160 Ca 0.03 -0.61 -0.20 0.00 0.00 0.00 0.00 47.33 46.56 3gaf h GLY 160 CO 0.00 0.56 -0.74 1.48 0.00 0.00 0.00 176.54 177.84 3gaf h SER 161 N 0.63 0.70 -0.76 0.19 4.64 -1.61 -1.19 113.55 116.16 3gaf h SER 161 Ca 0.13 -0.46 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 3gaf h SER 161 Cb 0.47 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 3gaf h SER 161 CO 0.02 1.22 0.38 0.77 -0.87 0.00 0.00 176.83 178.35 3gaf h SER 162 N 0.41 0.99 0.51 4.97 4.64 -1.35 -0.04 113.55 123.68 3gaf h SER 162 Ca -0.04 -0.11 -0.19 0.00 -0.47 0.00 0.00 61.79 60.99 3gaf h SER 162 Cb 1.34 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3gaf h SER 162 CO 0.14 0.83 -0.81 0.11 -0.87 0.00 0.00 176.83 176.23 3gaf h LYS 163 N 1.09 0.23 -0.69 4.77 1.79 -1.19 -2.04 116.57 120.53 3gaf h LYS 163 Ca 0.27 -0.22 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 3gaf h LYS 163 Cb 0.10 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 3gaf h LYS 163 CO -0.04 0.92 0.31 0.00 -1.08 0.00 0.00 179.45 179.57 3gaf h ALA 164 N 1.01 1.24 -0.63 3.86 0.00 -0.76 -1.90 119.26 122.07 3gaf h ALA 164 Ca -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3gaf h ALA 164 Cb 1.41 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3gaf h ALA 164 CO 0.13 0.57 0.33 0.00 0.00 0.00 0.00 179.25 180.28 3gaf h ALA 165 N 1.35 0.82 -0.48 0.00 0.00 -0.85 -2.02 119.26 118.08 3gaf h ALA 165 Ca 0.24 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3gaf h ALA 165 Cb 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3gaf h ALA 165 CO -0.03 0.35 0.14 0.28 0.00 0.00 0.00 179.25 179.99 3gaf h VAL 166 N 0.87 0.79 -0.24 0.00 2.07 -1.05 0.11 116.25 118.80 3gaf h VAL 166 Ca 0.22 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3gaf h VAL 166 Cb 0.07 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3gaf h VAL 166 CO -0.03 0.05 0.11 0.78 0.02 0.00 0.00 177.57 178.51 3gaf h ASN 167 N 0.29 0.31 0.30 0.57 2.35 -1.19 -1.76 115.58 116.45 3gaf h ASN 167 Ca 0.24 -0.12 -0.21 0.00 -0.55 0.00 0.00 56.30 55.66 3gaf h ASN 167 Cb 0.28 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 3gaf h ASN 167 CO -0.27 0.34 -0.85 -0.74 -1.65 0.00 0.00 177.43 174.26 3gaf h HIS 168 N 0.25 0.59 -0.78 1.19 2.76 -1.27 -2.25 115.15 115.65 3gaf h HIS 168 Ca 0.08 -0.29 0.07 0.00 -2.20 0.00 0.00 60.37 58.03 3gaf h HIS 168 Cb 0.12 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.93 3gaf h HIS 168 CO -0.02 1.09 0.45 1.25 -1.30 0.00 0.00 177.93 179.39 3gaf h LEU 169 N 0.25 0.66 -0.57 0.26 5.85 -0.73 -1.43 115.31 119.61 3gaf h LEU 169 Ca -0.06 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3gaf h LEU 169 Cb 1.46 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 3gaf h LEU 169 CO 0.15 0.41 0.37 0.74 -0.34 0.00 0.00 178.44 179.76 3gaf h THR 170 N 0.79 1.15 -0.73 1.05 2.02 -1.02 0.76 112.91 116.92 3gaf h THR 170 Ca 0.36 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 3gaf h THR 170 Cb 0.26 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3gaf h THR 170 CO -0.21 0.15 0.24 0.03 0.37 0.00 0.00 175.52 176.09 3gaf h ARG 171 N 0.77 1.13 0.03 6.66 3.08 -0.91 -2.83 114.38 122.31 3gaf h ARG 171 Ca 0.21 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3gaf h ARG 171 Cb -0.07 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.82 3gaf h ARG 171 CO -0.04 0.96 -0.19 -0.91 -1.07 0.00 0.00 179.97 178.72 3gaf h ASN 172 N 1.08 0.11 0.77 7.04 2.35 -1.02 -3.33 115.58 122.57 3gaf h ASN 172 Ca 0.24 -0.98 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 3gaf h ASN 172 Cb 0.30 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3gaf h ASN 172 CO -0.01 1.08 0.00 0.16 -1.65 0.00 0.00 177.43 177.01 3gaf h ILE 173 N -0.84 0.00 -0.95 2.81 3.07 -0.94 -0.26 117.51 120.40 3gaf h ILE 173 Ca -0.03 -0.28 0.15 0.00 1.55 0.00 0.00 64.86 66.25 3gaf h ILE 173 Cb 1.14 1.07 -0.10 0.00 -0.27 0.00 0.00 36.82 38.66 3gaf h ILE 173 CO 0.04 0.00 0.55 0.00 -1.05 0.00 0.00 178.15 177.69 3gaf h ALA 174 N 2.20 1.48 -0.28 0.16 0.00 -1.61 -1.56 119.26 119.65 3gaf h ALA 174 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gaf h ALA 174 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3gaf h ALA 174 CO 0.00 0.02 0.12 0.74 0.00 0.00 0.00 179.25 180.12 3gaf h PHE 175 N 0.78 0.43 -0.42 0.00 -1.00 -1.21 -1.69 116.94 113.83 3gaf h PHE 175 Ca 0.51 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.27 3gaf h PHE 175 Cb 0.69 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 3gaf h PHE 175 CO -0.04 0.42 0.28 -0.44 -1.61 0.00 0.00 178.31 176.92 3gaf h ASP 176 N 0.31 0.48 -0.00 2.17 3.45 -1.49 -3.34 116.42 118.00 3gaf h ASP 176 Ca 0.09 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.54 3gaf h ASP 176 Cb 0.17 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3gaf h ASP 176 CO -0.01 0.35 -0.75 1.33 -1.57 0.00 0.00 179.24 178.59 3gaf n VAL 177 N -4.79 0.00 -0.18 -1.35 0.24 -0.63 -4.36 118.33 107.25 3gaf n VAL 177 Ca 0.01 -0.13 -0.01 0.00 -2.04 0.00 0.00 64.34 62.17 3gaf n VAL 177 Cb 0.02 1.02 0.09 0.00 -1.47 0.00 0.00 33.84 33.50 3gaf n VAL 177 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3gaf h GLY 178 N 3.96 0.75 2.00 7.63 0.00 -1.21 -1.62 103.07 114.59 3gaf h GLY 178 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3gaf h GLY 178 CO 0.00 -0.02 0.00 -2.55 0.00 0.00 0.00 176.54 173.97 3gaf h PRO 179 N 0.36 0.00 -0.00 4.80 0.11 -1.77 -0.19 132.00 135.31 3gaf h PRO 179 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3gaf h PRO 179 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3gaf h PRO 179 CO -0.29 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.17 3gaf n MET 180 N -2.95 1.07 -0.95 1.05 2.81 -0.70 -4.93 117.12 112.52 3gaf n MET 180 Ca -0.02 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 3gaf n MET 180 Cb 0.11 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 3gaf n MET 180 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gaf n GLY 181 N 0.98 0.43 3.52 3.03 0.00 -0.08 -4.41 105.19 108.66 3gaf n GLY 181 Ca 0.22 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3gaf n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gaf s ILE 182 N -2.00 3.91 -0.01 -0.61 1.01 -0.69 -1.85 121.20 120.96 3gaf s ILE 182 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 3gaf s ILE 182 Cb 0.00 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 3gaf s ILE 182 CO 0.00 0.51 0.29 -0.13 0.00 0.00 0.00 174.94 175.61 3gaf s ARG 183 N 0.15 3.65 -0.16 2.79 0.52 -0.81 -3.02 118.95 122.06 3gaf s ARG 183 Ca -0.01 0.04 -0.00 0.00 -0.52 0.00 0.00 55.73 55.24 3gaf s ARG 183 Cb -0.14 -3.11 0.04 0.00 0.52 0.00 0.00 34.95 32.26 3gaf s ARG 183 CO 0.03 0.67 -0.06 0.08 0.02 0.00 0.00 175.30 176.04 3gaf s VAL 184 N -1.22 1.09 0.30 3.52 1.01 -1.26 -0.33 120.40 123.51 3gaf s VAL 184 Ca 0.25 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3gaf s VAL 184 Cb -0.14 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 3gaf s VAL 184 CO 0.14 0.18 -0.01 0.20 0.00 0.00 0.00 175.10 175.60 3gaf s ASN 185 N 1.65 2.62 0.10 3.32 0.01 -0.80 -0.25 114.94 121.58 3gaf s ASN 185 Ca 0.02 -1.26 0.06 0.00 -0.71 0.00 0.00 52.86 50.96 3gaf s ASN 185 Cb -0.15 -0.14 -0.03 0.00 0.41 0.00 0.00 41.25 41.34 3gaf s ASN 185 CO -0.08 -0.45 -0.15 0.00 -1.51 0.00 0.00 177.10 174.91 3gaf s ALA 186 N -3.12 1.40 -0.11 0.60 0.00 0.02 -0.37 121.76 120.18 3gaf s ALA 186 Ca 0.32 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3gaf s ALA 186 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3gaf s ALA 186 CO 0.13 0.17 -0.07 0.42 0.00 0.00 0.00 175.76 176.41 3gaf s ILE 187 N -1.58 3.61 -0.54 0.00 1.01 -0.52 -0.61 121.20 122.57 3gaf s ILE 187 Ca 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 3gaf s ILE 187 Cb -0.08 -2.51 0.14 0.00 0.01 0.00 0.00 42.46 40.01 3gaf s ILE 187 CO 0.03 0.55 0.36 0.00 0.00 0.00 0.00 174.94 175.87 3gaf s ALA 188 N -0.20 3.43 0.40 9.38 0.00 0.15 0.25 121.76 135.17 3gaf s ALA 188 Ca 0.02 -2.91 -0.25 0.00 0.00 0.00 0.00 51.96 48.82 3gaf s ALA 188 Cb -0.13 -2.63 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 3gaf s ALA 188 CO 0.03 -1.98 1.16 -2.14 0.00 0.00 0.00 175.76 172.83 3gaf s PRO 189 N 0.56 4.06 0.00 0.00 0.02 -1.26 -1.70 135.00 136.69 3gaf s PRO 189 Ca 0.12 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.97 3gaf s PRO 189 Cb -0.21 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.63 3gaf s PRO 189 CO -0.04 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 3gaf n GLY 190 N 0.62 0.86 3.67 0.52 0.00 0.76 -3.43 105.19 108.19 3gaf n GLY 190 Ca 0.04 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 3gaf n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gaf s ALA 191 N -3.91 3.64 -0.17 4.61 0.00 -1.26 -4.98 121.76 119.68 3gaf s ALA 191 Ca 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.20 3gaf s ALA 191 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 3gaf s ALA 191 CO 0.00 -0.99 -0.08 0.42 0.00 0.00 0.00 175.76 175.11 3gaf s ILE 192 N 3.03 3.32 -1.17 0.00 -1.09 -1.26 -1.72 121.20 122.31 3gaf s ILE 192 Ca 0.47 -0.54 -0.18 0.00 -2.23 0.00 0.00 60.65 58.16 3gaf s ILE 192 Cb -0.17 -2.46 0.09 0.00 -1.58 0.00 0.00 42.46 38.35 3gaf s ILE 192 CO 0.10 0.48 1.53 -1.59 -1.23 0.00 0.00 174.94 174.23 3gaf s LYS 193 N 0.85 3.86 0.62 2.79 -2.85 0.11 -4.76 119.74 120.37 3gaf s LYS 193 Ca -0.02 -1.87 0.01 0.00 -1.00 0.00 0.00 55.97 53.09 3gaf s LYS 193 Cb -0.15 -5.33 0.07 0.00 -2.06 0.00 0.00 37.83 30.37 3gaf s LYS 193 CO 0.01 -2.09 0.87 0.95 0.10 0.00 0.00 175.35 175.18 3gaf s THR 194 N 3.70 2.43 0.17 3.79 -4.23 -1.26 -4.62 115.64 115.62 3gaf s THR 194 Ca 0.47 -0.64 0.35 0.00 -1.18 0.00 0.00 61.69 60.69 3gaf s THR 194 Cb 0.01 -2.78 0.40 0.00 1.34 0.00 0.00 72.50 71.46 3gaf s THR 194 CO -0.00 0.00 2.03 0.44 -0.54 0.00 0.00 174.62 176.55 3gaf h ASP 195 N -0.17 0.00 -0.03 3.99 5.19 -1.97 1.23 116.42 124.67 3gaf h ASP 195 Ca -0.39 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.02 3gaf h ASP 195 Cb 1.29 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.79 3gaf h ASP 195 CO 0.47 0.00 0.02 0.00 -3.12 0.00 0.00 179.24 176.61 3gaf h ALA 196 N 2.00 0.04 0.06 3.45 0.00 -1.96 -3.26 119.26 119.60 3gaf h ALA 196 Ca -0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3gaf h ALA 196 Cb 0.45 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3gaf h ALA 196 CO 0.00 -0.39 -0.48 1.25 0.00 0.00 0.00 179.25 179.63 3gaf h LEU 197 N -0.08 0.31 -2.69 0.00 5.85 -1.62 -3.34 115.31 113.74 3gaf h LEU 197 Ca 0.01 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.83 3gaf h LEU 197 Cb 0.13 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3gaf h LEU 197 CO -0.00 1.19 0.04 0.00 -0.34 0.00 0.00 178.44 179.33 3gaf h ALA 198 N 0.12 1.27 0.09 1.25 0.00 0.14 0.25 119.26 122.38 3gaf h ALA 198 Ca -0.08 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3gaf h ALA 198 Cb 1.33 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.13 3gaf h ALA 198 CO 0.09 -0.05 -0.69 1.79 0.00 0.00 0.00 179.25 180.39 3gaf h THR 199 N 0.00 1.50 0.00 0.00 1.35 -1.72 -3.35 112.91 110.68 3gaf h THR 199 Ca 0.01 -2.36 -0.14 0.00 -0.55 0.00 0.00 66.41 63.37 3gaf h THR 199 Cb 0.08 3.00 -0.02 0.00 -1.73 0.00 0.00 68.15 69.49 3gaf h THR 199 CO -0.00 0.67 -0.65 0.58 -0.25 0.00 0.00 175.52 175.87 3gaf h VAL 200 N -0.32 1.41 -2.85 6.82 2.07 -1.12 -3.45 116.25 118.81 3gaf h VAL 200 Ca -0.11 -2.27 -0.56 0.00 0.82 0.00 0.00 66.70 64.58 3gaf h VAL 200 Cb 1.49 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 33.47 3gaf h VAL 200 CO 0.13 0.64 1.03 -0.22 0.02 0.00 0.00 177.57 179.17 3gaf s LEU 201 N -7.38 4.04 0.18 2.57 2.96 0.69 -5.02 118.68 116.72 3gaf s LEU 201 Ca -0.01 1.66 -0.14 0.00 -0.22 0.00 0.00 54.13 55.42 3gaf s LEU 201 Cb 0.12 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.20 3gaf s LEU 201 CO 0.76 -1.03 0.59 0.42 -1.32 0.00 0.00 176.35 175.77 3gaf s THR 202 N 4.39 4.81 0.57 3.68 -4.23 -1.26 -4.94 115.64 118.65 3gaf s THR 202 Ca 0.64 0.86 0.31 0.00 -1.18 0.00 0.00 61.69 62.32 3gaf s THR 202 Cb -0.24 -3.73 0.44 0.00 1.34 0.00 0.00 72.50 70.31 3gaf s THR 202 CO 0.24 0.16 1.85 -0.65 -0.54 0.00 0.00 174.62 175.68 3gaf h PRO 203 N 3.30 0.00 0.00 3.99 0.11 -1.99 0.11 132.00 137.52 3gaf h PRO 203 Ca -0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 3gaf h PRO 203 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3gaf h PRO 203 CO 0.66 0.00 -1.32 1.49 -0.21 0.00 0.00 178.00 178.63 3gaf h GLU 204 N 0.00 0.00 -0.17 1.05 4.22 -1.99 -2.58 114.58 115.11 3gaf h GLU 204 Ca 0.35 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.74 3gaf h GLU 204 Cb 1.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 3gaf h GLU 204 CO -0.00 0.45 -0.08 0.82 -2.18 0.00 0.00 179.01 178.01 3gaf h ILE 205 N 0.00 1.31 -0.72 2.32 2.04 -1.62 -3.05 117.51 117.79 3gaf h ILE 205 Ca -0.16 -1.14 0.08 0.00 1.00 0.00 0.00 64.86 64.65 3gaf h ILE 205 Cb 1.69 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 39.43 3gaf h ILE 205 CO 0.07 0.34 0.47 -0.08 0.00 0.00 0.00 178.15 178.95 3gaf h GLU 206 N 0.03 0.64 -0.36 2.37 4.81 -0.88 -1.69 114.58 119.49 3gaf h GLU 206 Ca 0.04 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 3gaf h GLU 206 Cb 0.56 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3gaf h GLU 206 CO 0.03 0.42 -0.31 -0.09 -0.73 0.00 0.00 179.01 178.32 3gaf h ARG 207 N 0.66 0.78 -0.61 1.92 2.43 -1.47 -1.26 114.38 116.83 3gaf h ARG 207 Ca 0.32 -0.36 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 3gaf h ARG 207 Cb 0.40 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3gaf h ARG 207 CO -0.11 0.99 0.18 0.00 -1.51 0.00 0.00 179.97 179.51 3gaf h ALA 208 N 0.98 1.17 0.00 2.80 0.00 -1.24 -2.56 119.26 120.41 3gaf h ALA 208 Ca 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3gaf h ALA 208 Cb 0.85 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3gaf h ALA 208 CO 0.07 0.58 -0.37 0.52 0.00 0.00 0.00 179.25 180.05 3gaf h MET 209 N 0.90 0.00 0.00 0.00 2.86 -1.04 -2.88 114.93 114.77 3gaf h MET 209 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3gaf h MET 209 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3gaf h MET 209 CO -0.01 0.37 -0.35 1.28 1.06 0.00 0.00 176.91 179.27 3gaf n LEU 210 N -3.88 0.41 -0.25 1.22 4.77 -0.50 -4.29 117.00 114.48 3gaf n LEU 210 Ca -0.01 0.22 0.02 0.00 -0.03 0.00 0.00 56.01 56.20 3gaf n LEU 210 Cb 0.44 -0.31 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 3gaf n LEU 210 CO 0.38 0.04 1.07 0.50 -1.33 0.00 0.00 177.39 178.05 3gaf h LYS 211 N 0.00 0.60 -0.40 3.23 3.64 -1.23 -2.38 116.57 120.03 3gaf h LYS 211 Ca 0.00 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 3gaf h LYS 211 Cb 0.56 -0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.14 3gaf h LYS 211 CO 0.00 0.40 0.02 0.72 -2.27 0.00 0.00 179.45 178.32 3gaf n HIS 212 N -4.85 1.28 -3.69 1.91 8.25 -1.26 -4.86 115.22 111.99 3gaf n HIS 212 Ca 0.11 -1.45 -0.38 0.00 -0.26 0.00 0.00 57.72 55.75 3gaf n HIS 212 Cb 0.27 -0.50 -0.10 0.00 1.12 0.00 0.00 29.99 30.78 3gaf n HIS 212 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3gaf s THR 213 N -3.15 3.65 0.48 1.59 2.01 -0.90 -1.92 115.64 117.40 3gaf s THR 213 Ca 0.46 -2.07 0.22 0.00 0.31 0.00 0.00 61.69 60.61 3gaf s THR 213 Cb 0.40 -3.45 0.40 0.00 0.01 0.00 0.00 72.50 69.85 3gaf s THR 213 CO 0.03 -0.74 1.93 -0.65 -0.69 0.00 0.00 174.62 174.50 3gaf h PRO 214 N 8.07 0.20 0.00 4.92 0.11 -1.83 -0.26 132.00 143.22 3gaf h PRO 214 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3gaf h PRO 214 Cb 1.05 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3gaf h PRO 214 CO 0.75 0.14 0.00 1.28 -0.21 0.00 0.00 178.00 179.96 3gaf n LEU 215 N -4.41 0.00 -0.31 2.35 4.77 -0.92 -4.92 117.00 113.56 3gaf n LEU 215 Ca 0.15 0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 3gaf n LEU 215 Cb 0.66 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 3gaf n LEU 215 CO 0.35 -0.01 -0.04 0.61 -1.33 0.00 0.00 177.39 176.97 3gaf n GLY 216 N 0.92 0.53 3.03 -0.72 0.00 -0.11 -4.98 105.19 103.86 3gaf n GLY 216 Ca 0.19 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3gaf n GLY 216 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gaf s ARG 217 N -1.92 0.41 0.87 1.61 1.70 -1.26 -5.06 118.95 115.30 3gaf s ARG 217 Ca 0.00 -0.71 -0.11 0.00 -0.47 0.00 0.00 55.73 54.44 3gaf s ARG 217 Cb 0.00 0.15 0.11 0.00 -0.57 0.00 0.00 34.95 34.64 3gaf s ARG 217 CO 0.00 -0.08 1.10 -0.51 -1.08 0.00 0.00 175.30 174.73 3gaf s LEU 218 N -1.78 2.56 0.66 -1.89 1.02 -1.26 -4.91 118.68 113.08 3gaf s LEU 218 Ca -0.11 1.72 -0.11 0.00 0.02 0.00 0.00 54.13 55.65 3gaf s LEU 218 Cb -0.06 -4.21 -0.01 0.00 0.02 0.00 0.00 46.19 41.94 3gaf s LEU 218 CO -0.03 -2.56 1.05 -0.83 0.02 0.00 0.00 176.35 174.00 3gaf s GLY 219 N -3.26 1.63 0.13 -3.19 0.00 -0.70 -4.84 107.32 97.09 3gaf s GLY 219 Ca 0.63 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 45.13 3gaf s GLY 219 CO 0.57 0.02 -0.11 -0.54 0.00 0.00 0.00 173.10 173.04 3gaf s GLU 220 N -5.25 2.04 0.37 2.90 8.01 -1.26 0.07 118.70 125.57 3gaf s GLU 220 Ca 0.56 -1.12 0.17 0.00 0.01 0.00 0.00 54.97 54.59 3gaf s GLU 220 Cb -0.11 -2.23 1.09 0.00 -4.31 0.00 0.00 34.13 28.57 3gaf s GLU 220 CO 0.52 0.48 1.71 0.00 0.01 0.00 0.00 175.26 177.97 3gaf h ALA 221 N 3.44 2.10 0.00 5.21 0.00 -1.92 -0.90 119.26 127.19 3gaf h ALA 221 Ca -0.49 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3gaf h ALA 221 Cb 1.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3gaf h ALA 221 CO 0.51 -0.62 -0.35 0.37 0.00 0.00 0.00 179.25 179.16 3gaf h GLN 222 N 0.38 0.00 -0.46 0.00 5.75 -1.94 -1.82 115.11 117.02 3gaf h GLN 222 Ca 0.68 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 59.25 3gaf h GLN 222 Cb 1.63 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 30.12 3gaf h GLN 222 CO -0.45 0.35 0.12 -0.44 -2.65 0.00 0.00 178.83 175.76 3gaf h ASP 223 N 0.00 0.06 -0.32 -0.69 3.32 -1.57 0.88 116.42 118.10 3gaf h ASP 223 Ca -0.00 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 3gaf h ASP 223 Cb 0.63 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3gaf h ASP 223 CO 0.05 0.06 -0.19 0.40 -1.72 0.00 0.00 179.24 177.84 3gaf h ILE 224 N 0.26 1.29 -0.45 0.35 1.08 -1.51 -2.67 117.51 115.86 3gaf h ILE 224 Ca 0.22 -1.31 -0.05 0.00 -0.39 0.00 0.00 64.86 63.33 3gaf h ILE 224 Cb 0.27 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 3gaf h ILE 224 CO -0.27 0.42 0.08 0.00 -0.69 0.00 0.00 178.15 177.69 3gaf h ALA 225 N 0.75 1.29 -0.36 1.87 0.00 -1.13 0.93 119.26 122.61 3gaf h ALA 225 Ca 0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3gaf h ALA 225 Cb 0.73 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3gaf h ALA 225 CO 0.05 0.49 0.04 -0.91 0.00 0.00 0.00 179.25 178.93 3gaf h ASN 226 N 0.67 0.59 -0.57 0.00 2.35 -0.76 0.17 115.58 118.03 3gaf h ASN 226 Ca 0.15 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3gaf h ASN 226 Cb 0.30 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3gaf h ASN 226 CO 0.00 0.72 0.37 0.00 -1.65 0.00 0.00 177.43 176.87 3gaf h ALA 227 N 0.89 0.72 -0.34 -0.83 0.00 -1.12 -1.56 119.26 117.03 3gaf h ALA 227 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3gaf h ALA 227 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3gaf h ALA 227 CO 0.01 0.17 -0.13 0.00 0.00 0.00 0.00 179.25 179.30 3gaf h ALA 228 N 1.20 1.14 -0.20 0.00 0.00 -0.60 -1.38 119.26 119.42 3gaf h ALA 228 Ca 0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3gaf h ALA 228 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3gaf h ALA 228 CO -0.04 0.54 -0.02 1.25 0.00 0.00 0.00 179.25 180.98 3gaf h LEU 229 N 0.54 0.36 -0.16 0.00 5.85 -0.34 -2.25 115.31 119.31 3gaf h LEU 229 Ca 0.10 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.54 3gaf h LEU 229 Cb 0.54 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 3gaf h LEU 229 CO 0.03 0.60 -0.30 0.15 -0.34 0.00 0.00 178.44 178.58 3gaf h PHE 230 N 0.11 -0.84 0.00 1.25 3.57 -1.00 -2.53 116.94 117.51 3gaf h PHE 230 Ca 0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3gaf h PHE 230 Cb 0.43 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3gaf h PHE 230 CO 0.04 -0.38 0.00 -0.07 -2.23 0.00 0.00 178.31 175.67 3gaf h LEU 231 N -0.36 0.00 -2.24 0.59 3.38 -1.18 -2.53 115.31 112.96 3gaf h LEU 231 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3gaf h LEU 231 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3gaf h LEU 231 CO -0.37 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.16 3gaf s SER 233 N -1.26 5.49 0.57 0.00 1.04 -0.95 -4.85 113.70 113.74 3gaf s SER 233 Ca 0.29 -0.38 0.36 0.00 0.48 0.00 0.00 55.95 56.71 3gaf s SER 233 Cb 0.17 -1.12 1.45 0.00 0.10 0.00 0.00 66.02 66.62 3gaf s SER 233 CO 0.24 -0.31 1.66 -0.65 0.98 0.00 0.00 173.24 175.16 3gaf h PRO 234 N 1.21 0.00 0.00 4.02 0.11 -1.78 -1.26 132.00 134.30 3gaf h PRO 234 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gaf h PRO 234 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gaf h PRO 234 CO 0.58 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 3gaf n ALA 235 N -2.62 1.38 -1.68 -0.75 0.00 -0.51 -1.84 120.51 114.49 3gaf n ALA 235 Ca 0.26 0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.89 3gaf n ALA 235 Cb 1.39 -1.36 0.19 0.00 0.00 0.00 0.00 19.45 19.67 3gaf n ALA 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gaf n ALA 236 N -1.78 3.65 -0.02 0.00 0.00 -0.48 -4.84 120.51 117.04 3gaf n ALA 236 Ca 0.00 -3.27 0.23 0.00 0.00 0.00 0.00 53.44 50.41 3gaf n ALA 236 Cb 0.14 -0.37 0.72 0.00 0.00 0.00 0.00 19.45 19.94 3gaf n ALA 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gaf h ALA 237 N 1.06 2.43 -0.21 0.00 0.00 -1.44 -1.41 119.26 119.69 3gaf h ALA 237 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gaf h ALA 237 Cb 1.08 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3gaf h ALA 237 CO 0.04 -0.85 -0.00 1.87 0.00 0.00 0.00 179.25 180.31 3gaf n TRP 238 N -3.94 0.75 -3.84 0.00 -0.00 -1.26 -4.94 117.44 104.21 3gaf n TRP 238 Ca 0.12 -0.93 -0.36 0.00 -0.00 0.00 0.00 57.50 56.33 3gaf n TRP 238 Cb 0.77 -0.29 -0.13 0.00 -0.00 0.00 0.00 31.31 31.66 3gaf n TRP 238 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3gaf s ILE 239 N -2.86 3.79 0.08 5.87 1.01 -0.53 -5.09 121.20 123.46 3gaf s ILE 239 Ca 0.40 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 3gaf s ILE 239 Cb 0.33 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3gaf s ILE 239 CO 0.07 0.37 0.21 -0.55 0.00 0.00 0.00 174.94 175.05 3gaf s SER 240 N 1.54 0.06 -0.34 3.58 0.15 -1.26 -4.67 113.70 112.75 3gaf s SER 240 Ca 0.06 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.17 3gaf s SER 240 Cb -0.15 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 3gaf s SER 240 CO -0.00 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.35 3gaf n GLY 241 N 0.12 0.46 3.93 9.45 0.00 0.66 -4.97 105.19 114.84 3gaf n GLY 241 Ca -0.16 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 3gaf n GLY 241 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gaf s GLN 242 N -1.77 3.53 -0.28 1.61 -1.52 -1.26 -4.36 119.66 115.62 3gaf s GLN 242 Ca 0.00 -0.24 0.02 0.00 -1.95 0.00 0.00 55.36 53.19 3gaf s GLN 242 Cb 0.00 -2.69 0.07 0.00 -0.22 0.00 0.00 33.01 30.18 3gaf s GLN 242 CO 0.00 0.21 -0.02 0.08 -0.25 0.00 0.00 175.29 175.30 3gaf s VAL 243 N -2.18 1.82 -0.31 1.09 1.01 -1.26 -0.80 120.40 119.78 3gaf s VAL 243 Ca 0.41 -1.65 -0.20 0.00 0.00 0.00 0.00 61.98 60.55 3gaf s VAL 243 Cb -0.10 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 3gaf s VAL 243 CO 0.33 -0.27 0.60 -0.22 0.00 0.00 0.00 175.10 175.54 3gaf s LEU 244 N 1.21 4.16 -0.20 3.92 2.96 0.22 -4.89 118.68 126.06 3gaf s LEU 244 Ca -0.01 0.37 -0.24 0.00 -0.22 0.00 0.00 54.13 54.03 3gaf s LEU 244 Cb -0.19 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.73 3gaf s LEU 244 CO -0.08 -0.46 0.79 -0.89 -1.32 0.00 0.00 176.35 174.39 3gaf s THR 245 N 2.54 4.89 -0.45 3.68 2.01 -1.26 -0.67 115.64 126.38 3gaf s THR 245 Ca 0.24 1.52 -0.01 0.00 0.31 0.00 0.00 61.69 63.75 3gaf s THR 245 Cb -0.15 -4.09 0.12 0.00 0.01 0.00 0.00 72.50 68.39 3gaf s THR 245 CO 0.12 0.00 0.23 -0.69 -0.69 0.00 0.00 174.62 173.58 3gaf s VAL 246 N 2.39 3.11 0.00 3.82 1.01 -0.69 -4.87 120.40 125.18 3gaf s VAL 246 Ca 0.35 -2.41 0.00 0.00 0.00 0.00 0.00 61.98 59.92 3gaf s VAL 246 Cb -0.16 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3gaf s VAL 246 CO 0.10 -0.72 0.56 -1.54 0.00 0.00 0.00 175.10 173.50 3gaf n SER 247 N 4.17 0.00 -1.66 3.32 3.41 -1.26 -0.17 113.62 121.43 3gaf n SER 247 Ca 0.02 -1.28 -0.19 0.00 -0.26 0.00 0.00 58.87 57.15 3gaf n SER 247 Cb 0.40 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 3gaf n SER 247 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gaf n GLY 248 N 0.00 1.31 0.24 5.00 0.00 -1.26 -2.60 105.19 107.88 3gaf n GLY 248 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3gaf n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 249 N -0.70 0.49 0.00 -0.02 0.00 -1.26 -2.16 105.19 101.54 3gaf n GLY 249 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3gaf n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 250 N -2.00 4.30 3.42 -0.02 0.00 -1.07 -4.69 105.19 105.13 3gaf n GLY 250 Ca 0.00 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 3gaf n GLY 250 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gaf s VAL 251 N 0.30 2.29 -0.75 1.61 -7.23 -0.81 -4.80 120.40 111.02 3gaf s VAL 251 Ca 0.00 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 3gaf s VAL 251 Cb 0.00 -2.10 0.22 0.00 0.56 0.00 0.00 36.38 35.06 3gaf s VAL 251 CO 0.00 -0.16 0.74 0.00 -0.31 0.00 0.00 175.10 175.37 3gaf n GLN 252 N 0.20 2.50 0.00 4.82 3.00 -1.26 -3.80 117.38 122.84 3gaf n GLN 252 Ca -0.12 -4.58 0.06 0.00 -0.01 0.00 0.00 57.00 52.35 3gaf n GLN 252 Cb 0.56 -2.32 0.05 0.00 0.00 0.00 0.00 30.24 28.54 3gaf n GLN 252 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45