#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 0.99 -1.40 1.43 -0.04 -1.26 -4.35 135.00 130.36 3gaf n PRO 6 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 3gaf n PRO 6 Cb 0.00 -1.44 0.01 0.00 -0.04 0.00 0.00 33.50 32.03 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 -0.94 2.18 -4.36 0.54 3.72 -1.26 -3.07 117.46 114.27 3gaf n PHE 7 Ca 0.21 -2.24 -0.22 0.00 -0.05 0.00 0.00 57.45 55.15 3gaf n PHE 7 Cb 0.10 -1.25 -0.11 0.00 -0.94 0.00 0.00 39.48 37.27 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 -2.64 1.91 -0.64 1.38 3.76 -1.26 -4.95 115.29 112.85 3gaf s HIS 8 Ca 0.52 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.99 3gaf s HIS 8 Cb 0.39 -0.93 0.38 0.00 1.11 0.00 0.00 32.58 33.53 3gaf s HIS 8 CO -0.17 0.39 1.45 1.28 -0.85 0.00 0.00 174.74 176.84 3gaf n LEU 9 N 0.11 5.83 -4.69 0.89 4.32 0.25 -4.52 117.00 119.19 3gaf n LEU 9 Ca -0.12 -5.16 -0.42 0.00 -0.02 0.00 0.00 56.01 50.29 3gaf n LEU 9 Cb 0.58 -0.73 -0.03 0.00 -1.62 0.00 0.00 43.42 41.62 3gaf n LEU 9 CO 0.31 2.08 0.92 0.20 -1.22 0.00 0.00 177.39 179.68 3gaf s ASN 10 N -2.55 7.08 0.00 -1.43 0.01 -1.22 -2.28 114.94 114.55 3gaf s ASN 10 Ca 0.49 1.85 0.00 0.00 -0.71 0.00 0.00 52.86 54.49 3gaf s ASN 10 Cb 0.38 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.48 3gaf s ASN 10 CO -0.26 -0.54 0.00 0.47 -1.51 0.00 0.00 177.10 175.27 3gaf n ASP 11 N 4.84 -2.79 -4.81 -1.22 10.43 -1.26 -5.02 116.55 116.73 3gaf n ASP 11 Ca 0.10 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.10 3gaf n ASP 11 Cb 0.46 -0.85 -0.06 0.00 1.84 0.00 0.00 41.12 42.52 3gaf n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gaf s ALA 12 N -2.17 3.38 -0.22 2.24 0.00 -1.00 -4.96 121.76 119.03 3gaf s ALA 12 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.18 3gaf s ALA 12 Cb 0.00 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.28 3gaf s ALA 12 CO 0.00 0.30 -0.14 0.08 0.00 0.00 0.00 175.76 176.00 3gaf s VAL 13 N -1.56 2.31 -0.18 0.00 1.01 -1.26 -0.50 120.40 120.22 3gaf s VAL 13 Ca 0.45 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3gaf s VAL 13 Cb -0.17 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.09 3gaf s VAL 13 CO 0.21 0.31 -0.14 0.00 0.00 0.00 0.00 175.10 175.48 3gaf s ALA 14 N 1.25 2.54 -0.13 5.51 0.00 -0.17 -1.37 121.76 129.39 3gaf s ALA 14 Ca 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 51.96 50.63 3gaf s ALA 14 Cb -0.16 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 3gaf s ALA 14 CO -0.09 -0.20 0.63 0.42 0.00 0.00 0.00 175.76 176.52 3gaf s ILE 15 N 1.09 5.07 -0.21 0.00 1.01 -0.01 -0.25 121.20 127.89 3gaf s ILE 15 Ca -0.00 1.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.89 3gaf s ILE 15 Cb -0.14 -3.96 0.06 0.00 0.01 0.00 0.00 42.46 38.43 3gaf s ILE 15 CO -0.04 0.21 -0.02 -0.69 0.00 0.00 0.00 174.94 174.41 3gaf s VAL 16 N 1.18 1.10 0.48 2.92 1.01 -0.59 -0.01 120.40 126.49 3gaf s VAL 16 Ca 0.32 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3gaf s VAL 16 Cb -0.16 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3gaf s VAL 16 CO 0.13 -0.13 0.80 0.42 0.00 0.00 0.00 175.10 176.32 3gaf s THR 17 N 1.60 4.87 -1.40 3.92 -4.23 -0.97 -1.63 115.64 117.80 3gaf s THR 17 Ca -0.04 0.32 -0.10 0.00 -1.18 0.00 0.00 61.69 60.70 3gaf s THR 17 Cb -0.18 -3.85 0.07 0.00 1.34 0.00 0.00 72.50 69.88 3gaf s THR 17 CO -0.07 -0.82 0.62 0.61 -0.54 0.00 0.00 174.62 174.42 3gaf n GLY 18 N -2.15 -0.49 1.91 3.99 0.00 -0.94 -3.40 105.19 104.10 3gaf n GLY 18 Ca 0.01 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.79 3.97 0.23 4.61 0.00 0.13 -4.31 120.51 121.34 3gaf n ALA 19 Ca -0.02 -1.98 0.11 0.00 0.00 0.00 0.00 53.44 51.55 3gaf n ALA 19 Cb 0.55 -1.14 0.48 0.00 0.00 0.00 0.00 19.45 19.34 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 3.85 1.02 -2.92 0.00 0.00 -1.81 -3.12 119.26 116.29 3gaf h ALA 20 Ca 0.03 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3gaf h ALA 20 Cb 2.03 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 3gaf h ALA 20 CO 0.52 0.26 -0.01 0.00 0.00 0.00 0.00 179.25 180.02 3gaf s ALA 21 N -3.66 -0.19 0.00 0.00 0.00 -1.26 -4.81 121.76 111.85 3gaf s ALA 21 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3gaf s ALA 21 Cb 0.10 0.98 0.00 0.00 0.00 0.00 0.00 23.12 24.20 3gaf s ALA 21 CO 0.63 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3gaf n GLY 22 N -0.48 3.39 0.13 0.00 0.00 -1.26 -2.29 105.19 104.68 3gaf n GLY 22 Ca -0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 1.15 -0.37 -0.61 2.04 -1.91 -2.86 117.51 114.95 3gaf h ILE 23 Ca 0.00 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3gaf h ILE 23 Cb 0.00 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3gaf h ILE 23 CO 0.00 0.15 0.17 1.23 0.00 0.00 0.00 178.15 179.70 3gaf h GLY 24 N 0.22 0.49 0.68 5.37 0.00 -1.71 0.09 103.07 108.21 3gaf h GLY 24 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.30 3gaf h GLY 24 CO -0.01 0.08 -0.24 -0.09 0.00 0.00 0.00 176.54 176.28 3gaf h ARG 25 N 0.36 -0.48 -0.43 4.80 2.43 -1.39 -0.91 114.38 118.75 3gaf h ARG 25 Ca 0.16 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 3gaf h ARG 25 Cb 0.08 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 3gaf h ARG 25 CO -0.12 -0.32 0.15 0.00 -1.51 0.00 0.00 179.97 178.17 3gaf h ALA 26 N 0.20 0.52 -0.31 2.80 0.00 -1.25 0.08 119.26 121.30 3gaf h ALA 26 Ca 0.01 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3gaf h ALA 26 Cb 0.48 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3gaf h ALA 26 CO -0.08 -0.24 -0.04 0.82 0.00 0.00 0.00 179.25 179.71 3gaf h ILE 27 N 0.32 0.73 0.07 0.00 2.04 -0.90 0.56 117.51 120.33 3gaf h ILE 27 Ca 0.20 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.06 3gaf h ILE 27 Cb 0.19 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3gaf h ILE 27 CO -0.21 0.01 -0.14 0.00 0.00 0.00 0.00 178.15 177.82 3gaf h ALA 28 N 1.29 -0.22 -0.80 1.87 0.00 -0.44 0.21 119.26 121.17 3gaf h ALA 28 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3gaf h ALA 28 Cb 0.22 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3gaf h ALA 28 CO -0.29 -0.65 0.43 0.78 0.00 0.00 0.00 179.25 179.52 3gaf h GLY 29 N -0.27 1.21 1.05 0.00 0.00 -0.89 -1.43 103.07 102.75 3gaf h GLY 29 Ca 0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 3gaf h GLY 29 CO -0.08 0.53 -0.07 -0.84 0.00 0.00 0.00 176.54 176.08 3gaf h THR 30 N 1.12 1.27 -0.50 4.70 2.02 -0.59 -2.35 112.91 118.58 3gaf h THR 30 Ca 0.28 -1.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 3gaf h THR 30 Cb 0.05 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3gaf h THR 30 CO -0.04 0.42 0.12 -0.26 0.37 0.00 0.00 175.52 176.13 3gaf h PHE 31 N 0.81 0.84 -0.03 3.16 -1.00 -0.15 -2.03 116.94 118.54 3gaf h PHE 31 Ca 0.14 -0.10 0.03 0.00 2.81 0.00 0.00 57.97 60.85 3gaf h PHE 31 Cb 0.62 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.90 3gaf h PHE 31 CO 0.04 0.75 -0.22 0.00 -1.61 0.00 0.00 178.31 177.27 3gaf h ALA 32 N 0.99 -0.26 -0.29 2.45 0.00 -1.22 -1.32 119.26 119.61 3gaf h ALA 32 Ca 0.16 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3gaf h ALA 32 Cb 0.33 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3gaf h ALA 32 CO 0.00 -0.71 0.21 1.57 0.00 0.00 0.00 179.25 180.33 3gaf h LYS 33 N -0.33 0.00 -0.29 0.00 2.10 -1.24 -0.44 116.57 116.36 3gaf h LYS 33 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 3gaf h LYS 33 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 3gaf h LYS 33 CO -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.23 3gaf n ALA 34 N -2.59 2.47 0.00 0.07 0.00 -0.78 -4.90 120.51 114.79 3gaf n ALA 34 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3gaf n ALA 34 Cb 0.38 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.14 0.93 3.75 0.00 0.00 -0.18 0.86 105.19 111.70 3gaf n GLY 35 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.36 -0.30 4.61 0.00 -0.57 -4.11 121.76 122.76 3gaf s ALA 36 Ca 0.00 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 3gaf s ALA 36 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3gaf s ALA 36 CO 0.00 0.08 1.28 -1.12 0.00 0.00 0.00 175.76 176.01 3gaf s SER 37 N -1.09 6.69 -0.20 0.00 0.01 0.35 -4.12 113.70 115.35 3gaf s SER 37 Ca 0.42 1.19 -0.11 0.00 1.31 0.00 0.00 55.95 58.77 3gaf s SER 37 Cb -0.28 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.36 3gaf s SER 37 CO 0.35 -1.07 0.15 -0.69 0.41 0.00 0.00 173.24 172.40 3gaf s VAL 38 N 4.32 5.39 -0.54 3.43 1.01 -0.14 -1.00 120.40 132.87 3gaf s VAL 38 Ca 0.55 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 3gaf s VAL 38 Cb -0.16 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.82 3gaf s VAL 38 CO 0.23 0.42 0.57 -0.69 0.00 0.00 0.00 175.10 175.63 3gaf s VAL 39 N 0.46 5.03 -0.12 2.92 1.01 0.65 -2.20 120.40 128.15 3gaf s VAL 39 Ca 0.09 -1.08 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 3gaf s VAL 39 Cb -0.12 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3gaf s VAL 39 CO -0.01 -0.89 0.71 -0.69 0.00 0.00 0.00 175.10 174.22 3gaf s VAL 40 N 2.15 5.01 0.03 2.92 1.01 -0.38 -1.54 120.40 129.60 3gaf s VAL 40 Ca 0.08 1.42 0.08 0.00 0.00 0.00 0.00 61.98 63.56 3gaf s VAL 40 Cb -0.25 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 3gaf s VAL 40 CO 0.06 0.17 -0.24 -0.89 0.00 0.00 0.00 175.10 174.21 3gaf s THR 41 N 1.35 1.90 0.15 3.92 2.01 -0.65 -0.81 115.64 123.51 3gaf s THR 41 Ca 0.35 -1.23 -0.20 0.00 0.31 0.00 0.00 61.69 60.93 3gaf s THR 41 Cb -0.17 -1.63 0.05 0.00 0.01 0.00 0.00 72.50 70.77 3gaf s THR 41 CO 0.15 0.35 0.51 -0.62 -0.69 0.00 0.00 174.62 174.31 3gaf s ASP 42 N -1.05 -0.40 0.22 3.53 -1.08 -1.09 0.17 116.67 116.96 3gaf s ASP 42 Ca 0.10 -0.17 -0.09 0.00 -0.52 0.00 0.00 52.55 51.87 3gaf s ASP 42 Cb -0.09 0.54 0.24 0.00 -1.46 0.00 0.00 42.92 42.15 3gaf s ASP 42 CO 0.01 -0.92 1.84 0.25 0.52 0.00 0.00 175.17 176.87 3gaf h LEU 43 N 2.17 0.73 -9.01 -1.34 6.46 -1.90 0.49 115.31 112.91 3gaf h LEU 43 Ca -0.34 0.01 -0.62 0.00 -0.12 0.00 0.00 57.88 56.81 3gaf h LEU 43 Cb 1.28 -0.14 -0.14 0.00 -0.73 0.00 0.00 40.66 40.93 3gaf h LEU 43 CO 0.42 0.49 -0.35 -0.54 -0.62 0.00 0.00 178.44 177.83 3gaf s LYS 44 N -6.10 4.05 0.23 1.25 1.02 -1.26 -4.51 119.74 114.42 3gaf s LYS 44 Ca -0.13 -0.08 -0.04 0.00 0.02 0.00 0.00 55.97 55.75 3gaf s LYS 44 Cb 0.16 -3.60 0.24 0.00 -0.52 0.00 0.00 37.83 34.11 3gaf s LYS 44 CO 0.77 -0.13 1.70 0.66 -0.92 0.00 0.00 175.35 177.44 3gaf h SER 45 N 7.89 0.83 -0.51 2.83 4.64 -1.87 -2.60 113.55 124.75 3gaf h SER 45 Ca -0.35 -0.23 0.03 0.00 -0.47 0.00 0.00 61.79 60.77 3gaf h SER 45 Cb 1.17 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 3gaf h SER 45 CO 0.64 0.92 0.34 -0.33 -0.87 0.00 0.00 176.83 177.54 3gaf h GLU 46 N 0.77 0.58 -0.26 4.77 3.07 -1.95 0.15 114.58 121.71 3gaf h GLU 46 Ca 0.14 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.81 3gaf h GLU 46 Cb 0.55 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3gaf h GLU 46 CO 0.03 0.39 -0.44 0.78 -1.40 0.00 0.00 179.01 178.37 3gaf h GLY 47 N 0.60 0.82 0.90 -3.84 0.00 -1.89 -2.45 103.07 97.21 3gaf h GLY 47 Ca 0.20 -0.94 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 3gaf h GLY 47 CO -0.05 0.84 0.09 0.00 0.00 0.00 0.00 176.54 177.42 3gaf h ALA 48 N 0.66 0.37 0.00 3.60 0.00 -0.99 -2.84 119.26 120.05 3gaf h ALA 48 Ca 0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3gaf h ALA 48 Cb 1.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3gaf h ALA 48 CO 0.10 -0.00 -0.35 1.49 0.00 0.00 0.00 179.25 180.49 3gaf h GLU 49 N 0.29 0.00 -0.46 0.00 4.57 -1.08 -1.69 114.58 116.22 3gaf h GLU 49 Ca 0.09 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3gaf h GLU 49 Cb 0.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 3gaf h GLU 49 CO -0.00 0.35 0.11 0.00 -1.18 0.00 0.00 179.01 178.29 3gaf h ALA 50 N 1.65 0.60 -0.59 2.92 0.00 -1.28 0.37 119.26 122.94 3gaf h ALA 50 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3gaf h ALA 50 Cb 0.80 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3gaf h ALA 50 CO 0.04 0.29 0.04 0.28 0.00 0.00 0.00 179.25 179.90 3gaf h VAL 51 N 0.61 1.26 -0.40 0.00 2.07 -1.31 -2.30 116.25 116.18 3gaf h VAL 51 Ca 0.14 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 3gaf h VAL 51 Cb 0.32 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3gaf h VAL 51 CO 0.00 0.40 -0.01 0.00 0.02 0.00 0.00 177.57 177.98 3gaf h ALA 52 N 0.99 0.54 -0.05 1.67 0.00 -0.94 -2.01 119.26 119.46 3gaf h ALA 52 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gaf h ALA 52 Cb 0.51 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gaf h ALA 52 CO 0.02 0.33 0.04 0.00 0.00 0.00 0.00 179.25 179.63 3gaf h ALA 53 N 0.88 0.07 -0.59 0.00 0.00 -0.28 -1.34 119.26 118.01 3gaf h ALA 53 Ca 0.11 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3gaf h ALA 53 Cb 0.49 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3gaf h ALA 53 CO 0.02 -0.43 0.21 0.00 0.00 0.00 0.00 179.25 179.05 3gaf h ALA 54 N 1.01 0.75 0.18 0.00 0.00 -1.35 -1.59 119.26 118.26 3gaf h ALA 54 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3gaf h ALA 54 Cb -0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gaf h ALA 54 CO -0.00 -0.21 -0.09 0.82 0.00 0.00 0.00 179.25 179.77 3gaf h ILE 55 N 0.39 0.85 -0.94 0.00 2.04 -1.22 -2.39 117.51 116.24 3gaf h ILE 55 Ca 0.30 -0.12 0.18 0.00 1.00 0.00 0.00 64.86 66.21 3gaf h ILE 55 Cb 0.37 0.92 -0.10 0.00 -0.74 0.00 0.00 36.82 37.26 3gaf h ILE 55 CO -0.30 0.03 0.53 0.03 0.00 0.00 0.00 178.15 178.43 3gaf h ARG 56 N -0.30 0.67 0.53 2.37 3.08 -0.87 -2.29 114.38 117.56 3gaf h ARG 56 Ca -0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3gaf h ARG 56 Cb 0.24 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3gaf h ARG 56 CO 0.04 0.44 -0.29 1.96 -1.07 0.00 0.00 179.97 181.05 3gaf h GLN 57 N 0.69 -0.73 0.00 0.04 4.20 -1.14 -3.12 115.11 115.04 3gaf h GLN 57 Ca 0.53 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.29 3gaf h GLN 57 Cb 0.82 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.76 3gaf h GLN 57 CO -0.39 -0.48 0.07 0.00 -0.67 0.00 0.00 178.83 177.36 3gaf n ALA 58 N -2.44 0.91 0.00 3.87 0.00 -0.90 -4.66 120.51 117.29 3gaf n ALA 58 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3gaf n ALA 58 Cb 0.31 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.17 1.16 1.88 0.00 0.00 -1.07 -5.09 105.19 100.89 3gaf n GLY 59 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3gaf n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 60 N -0.30 2.03 3.13 -0.02 0.00 -0.97 -5.02 105.19 104.03 3gaf n GLY 60 Ca 0.00 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.51 3gaf n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gaf s LYS 61 N -3.25 2.75 -0.15 1.61 1.02 -1.26 -4.08 119.74 116.38 3gaf s LYS 61 Ca 0.28 -1.01 -0.10 0.00 0.02 0.00 0.00 55.97 55.17 3gaf s LYS 61 Cb -0.02 -2.76 0.05 0.00 -0.52 0.00 0.00 37.83 34.58 3gaf s LYS 61 CO 0.18 -0.35 0.37 0.00 -0.92 0.00 0.00 175.35 174.63 3gaf s ALA 62 N 1.25 -0.93 0.19 5.17 0.00 -1.26 -0.96 121.76 125.21 3gaf s ALA 62 Ca -0.00 1.29 0.06 0.00 0.00 0.00 0.00 51.96 53.31 3gaf s ALA 62 Cb -0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 3gaf s ALA 62 CO -0.09 -0.23 0.14 0.96 0.00 0.00 0.00 175.76 176.54 3gaf s ILE 63 N 0.98 4.39 -0.09 0.00 -4.36 -0.93 -4.73 121.20 116.45 3gaf s ILE 63 Ca -0.06 -1.21 0.04 0.00 -0.26 0.00 0.00 60.65 59.15 3gaf s ILE 63 Cb -0.07 -3.27 0.00 0.00 1.25 0.00 0.00 42.46 40.37 3gaf s ILE 63 CO -0.08 -0.18 -0.22 -0.83 0.24 0.00 0.00 174.94 173.88 3gaf s GLY 64 N -3.29 1.23 0.10 6.27 0.00 -1.26 -1.24 107.32 109.12 3gaf s GLY 64 Ca 0.31 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 44.22 3gaf s GLY 64 CO 0.23 -0.24 -0.13 1.08 0.00 0.00 0.00 173.10 174.04 3gaf s LEU 65 N 0.41 2.37 0.12 0.66 1.43 0.01 -4.68 118.68 119.00 3gaf s LEU 65 Ca -0.18 -0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 51.92 3gaf s LEU 65 Cb -0.18 -0.48 -0.07 0.00 0.03 0.00 0.00 46.19 45.49 3gaf s LEU 65 CO 0.08 -0.15 0.75 -0.70 0.23 0.00 0.00 176.35 176.56 3gaf s GLU 66 N -2.43 4.51 -0.25 1.70 2.12 -1.26 -2.68 118.70 120.40 3gaf s GLU 66 Ca 0.05 1.08 -0.06 0.00 0.36 0.00 0.00 54.97 56.40 3gaf s GLU 66 Cb -0.06 -3.29 0.13 0.00 0.26 0.00 0.00 34.13 31.17 3gaf s GLU 66 CO 0.02 0.50 0.51 0.00 -0.54 0.00 0.00 175.26 175.75 3gaf s ASN 68 N 2.73 6.36 0.27 0.00 3.84 -1.26 -3.43 114.94 123.45 3gaf s ASN 68 Ca 0.04 -0.29 0.21 0.00 0.21 0.00 0.00 52.86 53.03 3gaf s ASN 68 Cb -0.13 -2.42 1.02 0.00 -0.55 0.00 0.00 41.25 39.17 3gaf s ASN 68 CO -0.17 -1.15 1.63 1.33 -2.79 0.00 0.00 177.10 175.96 3gaf n VAL 69 N 6.19 1.03 1.29 -5.21 0.24 -1.26 -1.40 118.33 119.21 3gaf n VAL 69 Ca 0.02 0.54 0.10 0.00 -2.04 0.00 0.00 64.34 62.96 3gaf n VAL 69 Cb 0.48 -1.51 0.36 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 -2.19 0.21 -4.03 3.34 -2.24 -1.26 -4.67 114.28 103.44 3gaf n THR 70 Ca -0.00 -0.31 -0.34 0.00 -2.27 0.00 0.00 64.05 61.13 3gaf n THR 70 Cb 0.10 0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.49 3.64 0.18 3.42 -1.08 -0.49 -5.02 116.67 115.82 3gaf s ASP 71 Ca 0.30 -0.58 -0.13 0.00 -0.52 0.00 0.00 52.55 51.62 3gaf s ASP 71 Cb 0.16 -1.58 0.08 0.00 -1.46 0.00 0.00 42.92 40.12 3gaf s ASP 71 CO 0.24 -0.02 1.82 -0.08 0.52 0.00 0.00 175.17 177.65 3gaf h GLU 72 N 8.00 0.79 -0.91 4.34 4.57 -1.87 -0.94 114.58 128.56 3gaf h GLU 72 Ca -0.43 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3gaf h GLU 72 Cb 1.14 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.52 3gaf h GLU 72 CO 0.62 0.56 0.56 1.96 -1.18 0.00 0.00 179.01 181.54 3gaf h GLN 73 N 0.79 1.23 0.45 1.92 7.50 -1.95 -1.25 115.11 123.80 3gaf h GLN 73 Ca 0.21 -0.10 -0.02 0.00 0.50 0.00 0.00 58.65 59.24 3gaf h GLN 73 Cb -0.03 -0.26 0.00 0.00 0.05 0.00 0.00 27.48 27.24 3gaf h GLN 73 CO -0.04 0.85 -0.22 0.45 -1.50 0.00 0.00 178.83 178.37 3gaf h HIS 74 N 1.25 -0.57 -0.42 2.96 3.86 -1.78 -2.03 115.15 118.42 3gaf h HIS 74 Ca 0.33 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.60 3gaf h HIS 74 Cb -0.08 0.19 -0.09 0.00 1.06 0.00 0.00 27.41 28.49 3gaf h HIS 74 CO 0.00 -0.34 -0.42 0.00 0.86 0.00 0.00 177.93 178.03 3gaf h ARG 75 N -0.64 -0.30 -0.74 2.45 3.08 -0.83 -0.18 114.38 117.22 3gaf h ARG 75 Ca -0.06 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.13 3gaf h ARG 75 Cb 0.48 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 3gaf h ARG 75 CO 0.10 -0.20 0.49 0.93 -1.07 0.00 0.00 179.97 180.22 3gaf h GLU 76 N -0.31 0.53 -0.20 0.04 5.08 -1.27 -2.70 114.58 115.74 3gaf h GLU 76 Ca 0.14 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 3gaf h GLU 76 Cb 0.58 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3gaf h GLU 76 CO -0.59 0.35 -0.50 0.00 -1.00 0.00 0.00 179.01 177.27 3gaf h ALA 77 N 1.64 0.74 -0.47 3.43 0.00 -0.29 -2.15 119.26 122.15 3gaf h ALA 77 Ca 0.35 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3gaf h ALA 77 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3gaf h ALA 77 CO -0.13 0.68 0.17 0.28 0.00 0.00 0.00 179.25 180.25 3gaf h VAL 78 N 0.44 1.22 0.23 0.00 2.07 -1.01 -0.28 116.25 118.92 3gaf h VAL 78 Ca 0.02 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 3gaf h VAL 78 Cb 1.04 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3gaf h VAL 78 CO 0.10 0.25 -0.16 0.40 0.02 0.00 0.00 177.57 178.18 3gaf h ILE 79 N 0.63 0.66 -0.62 4.57 1.08 -1.42 -1.22 117.51 121.18 3gaf h ILE 79 Ca 0.16 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.59 3gaf h ILE 79 Cb 0.22 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 3gaf h ILE 79 CO -0.01 0.00 0.24 0.50 -0.69 0.00 0.00 178.15 178.19 3gaf h LYS 80 N -0.39 0.94 -0.42 2.37 3.64 -1.39 -2.57 116.57 118.74 3gaf h LYS 80 Ca -0.02 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 3gaf h LYS 80 Cb 0.34 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3gaf h LYS 80 CO 0.00 0.80 0.23 0.00 -2.27 0.00 0.00 179.45 178.22 3gaf h ALA 81 N 1.09 1.62 -0.13 5.00 0.00 -0.81 -1.16 119.26 124.88 3gaf h ALA 81 Ca 0.21 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 3gaf h ALA 81 Cb 0.22 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gaf h ALA 81 CO -0.02 0.33 -0.83 0.00 0.00 0.00 0.00 179.25 178.73 3gaf h ALA 82 N 1.67 0.27 -0.40 0.00 0.00 -0.95 -1.86 119.26 118.00 3gaf h ALA 82 Ca 0.15 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3gaf h ALA 82 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3gaf h ALA 82 CO -0.03 0.68 -0.15 -0.07 0.00 0.00 0.00 179.25 179.69 3gaf h LEU 83 N 0.52 0.83 -0.60 0.00 3.38 -1.20 -0.67 115.31 117.56 3gaf h LEU 83 Ca -0.07 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 3gaf h LEU 83 Cb 1.47 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3gaf h LEU 83 CO 0.17 1.03 0.06 0.44 0.09 0.00 0.00 178.44 180.23 3gaf h ASP 84 N 0.62 0.99 0.11 -0.43 3.32 -1.25 0.35 116.42 120.13 3gaf h ASP 84 Ca 0.09 -0.28 -0.17 0.00 0.02 0.00 0.00 57.03 56.69 3gaf h ASP 84 Cb 0.70 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 40.00 3gaf h ASP 84 CO 0.05 1.02 -0.74 -0.61 -1.72 0.00 0.00 179.24 177.24 3gaf h GLN 85 N 0.92 0.31 -0.00 3.56 5.75 -1.32 -3.41 115.11 120.92 3gaf h GLN 85 Ca 0.18 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 3gaf h GLN 85 Cb 0.48 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.20 3gaf h GLN 85 CO 0.02 1.21 -0.02 1.19 -2.65 0.00 0.00 178.83 178.57 3gaf n PHE 86 N -4.16 0.00 0.00 3.99 3.72 -0.27 -5.04 117.46 115.70 3gaf n PHE 86 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3gaf n PHE 86 Cb 0.78 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 0.86 1.64 3.74 1.37 0.00 0.12 -4.98 105.19 107.95 3gaf n GLY 87 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.50 1.42 -0.10 1.61 -2.85 -1.26 -4.91 119.74 113.14 3gaf s LYS 88 Ca 0.00 -0.75 0.01 0.00 -1.00 0.00 0.00 55.97 54.24 3gaf s LYS 88 Cb 0.00 0.51 0.02 0.00 -2.06 0.00 0.00 37.83 36.29 3gaf s LYS 88 CO 0.00 -0.64 -0.13 0.42 0.10 0.00 0.00 175.35 175.09 3gaf s ILE 89 N -3.58 1.34 0.00 3.79 1.01 -1.26 -4.56 121.20 117.93 3gaf s ILE 89 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3gaf s ILE 89 Cb -0.03 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.20 3gaf s ILE 89 CO 0.02 0.41 0.00 0.35 0.00 0.00 0.00 174.94 175.72 3gaf n THR 90 N 4.25 0.00 -3.95 2.92 -2.24 -0.64 -3.56 114.28 111.06 3gaf n THR 90 Ca -0.19 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 3gaf n THR 90 Cb 0.51 0.37 -0.15 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.99 0.16 -0.13 2.28 1.01 -0.47 -0.93 120.40 120.32 3gaf s VAL 91 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 3gaf s VAL 91 Cb 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.22 3gaf s VAL 91 CO 0.00 0.09 -0.08 -0.22 0.00 0.00 0.00 175.10 174.89 3gaf s LEU 92 N 0.42 1.35 -0.36 3.92 2.96 -0.40 -0.83 118.68 125.73 3gaf s LEU 92 Ca -0.04 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.34 3gaf s LEU 92 Cb -0.06 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.74 3gaf s LEU 92 CO -0.01 -0.13 0.22 -0.69 -1.32 0.00 0.00 176.35 174.42 3gaf s VAL 93 N 1.67 4.83 -0.90 1.68 1.01 0.99 -0.85 120.40 128.83 3gaf s VAL 93 Ca 0.04 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 3gaf s VAL 93 Cb -0.13 -3.60 0.14 0.00 0.00 0.00 0.00 36.38 32.78 3gaf s VAL 93 CO -0.08 -0.14 1.07 0.20 0.00 0.00 0.00 175.10 176.15 3gaf s ASN 94 N 1.62 6.61 -0.11 3.32 0.02 0.35 -2.28 114.94 124.46 3gaf s ASN 94 Ca 0.04 -2.04 0.16 0.00 -1.02 0.00 0.00 52.86 50.00 3gaf s ASN 94 Cb -0.18 -2.38 -0.23 0.00 0.02 0.00 0.00 41.25 38.48 3gaf s ASN 94 CO 0.08 -1.03 0.17 -3.20 0.02 0.00 0.00 177.10 173.13 3gaf n ASN 95 N 6.34 0.96 -4.73 -1.22 5.15 -1.25 -1.13 115.26 119.38 3gaf n ASN 95 Ca 0.21 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.77 3gaf n ASN 95 Cb 0.48 1.21 -0.03 0.00 -0.53 0.00 0.00 39.78 40.92 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 -2.68 3.89 0.00 5.20 0.00 -1.22 -4.82 121.76 122.13 3gaf s ALA 96 Ca -0.08 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.47 3gaf s ALA 96 Cb 0.07 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3gaf s ALA 96 CO 0.69 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3gaf n GLY 97 N 3.52 0.88 0.00 0.00 0.00 -1.26 -4.82 105.19 103.51 3gaf n GLY 97 Ca 0.14 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -1.08 0.23 -0.02 0.00 -1.26 -4.99 105.19 98.07 3gaf n GLY 98 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.49 0.00 -0.02 0.00 -1.26 -4.82 105.19 95.59 3gaf n GLY 99 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.32 -0.57 3.60 -0.02 0.00 -1.26 -5.06 105.19 101.56 3gaf n GLY 100 Ca 0.00 -0.72 -0.49 0.00 0.00 0.00 0.00 46.02 44.81 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 1.31 -3.91 1.61 -0.02 -1.26 -4.49 135.00 128.24 3gaf n PRO 101 Ca 0.00 0.47 -0.11 0.00 -2.02 0.00 0.00 63.50 61.84 3gaf n PRO 101 Cb 0.00 -2.05 -0.12 0.00 -0.02 0.00 0.00 33.50 31.31 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 0.02 0.25 0.46 -0.52 3.01 0.27 -5.04 119.74 118.18 3gaf s LYS 102 Ca 0.77 -0.30 -0.23 0.00 -1.01 0.00 0.00 55.97 55.20 3gaf s LYS 102 Cb -0.86 0.10 -0.08 0.00 -1.01 0.00 0.00 37.83 35.99 3gaf s LYS 102 CO 0.49 -0.05 1.15 -1.25 0.51 0.00 0.00 175.35 176.21 3gaf s PRO 103 N -0.86 3.79 0.27 -1.68 0.04 -1.26 -4.27 135.00 131.03 3gaf s PRO 103 Ca -0.09 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 3gaf s PRO 103 Cb -0.06 -2.41 0.60 0.00 0.04 0.00 0.00 34.50 32.67 3gaf s PRO 103 CO -0.00 -0.52 1.64 0.35 0.04 0.00 0.00 177.00 178.51 3gaf h PHE 104 N 2.07 0.18 -0.05 0.56 3.57 -2.01 -1.16 116.94 120.11 3gaf h PHE 104 Ca -0.49 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3gaf h PHE 104 Cb 1.24 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.04 3gaf h PHE 104 CO 0.54 -0.23 0.00 -0.40 -2.23 0.00 0.00 178.31 175.99 3gaf n ASP 105 N -5.28 1.27 -4.59 0.41 5.75 -1.26 -4.93 116.55 107.93 3gaf n ASP 105 Ca 0.18 -2.07 -0.37 0.00 -0.01 0.00 0.00 54.79 52.52 3gaf n ASP 105 Cb 0.60 -0.46 0.06 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.01 0.73 -1.81 0.11 0.00 -0.44 -4.94 117.12 110.78 3gaf n MET 106 Ca 0.02 0.29 -0.39 0.00 0.00 0.00 0.00 57.70 57.63 3gaf n MET 106 Cb 0.30 -2.10 0.03 0.00 0.00 0.00 0.00 33.22 31.45 3gaf n MET 106 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3gaf s PRO 107 N -2.79 3.27 0.39 3.17 0.04 -1.26 -4.89 135.00 132.92 3gaf s PRO 107 Ca 0.75 2.24 0.14 0.00 0.04 0.00 0.00 61.00 64.16 3gaf s PRO 107 Cb -0.40 -2.33 0.97 0.00 0.04 0.00 0.00 34.50 32.77 3gaf s PRO 107 CO 0.48 -1.09 1.85 0.52 0.04 0.00 0.00 177.00 178.81 3gaf h MET 108 N 1.64 0.51 -0.86 4.56 2.86 -1.99 -0.87 114.93 120.79 3gaf h MET 108 Ca -0.51 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.24 3gaf h MET 108 Cb 1.29 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.77 3gaf h MET 108 CO 0.58 0.34 0.56 0.66 1.06 0.00 0.00 176.91 180.11 3gaf h SER 109 N 0.53 0.62 -0.12 1.22 4.64 -1.98 0.26 113.55 118.72 3gaf h SER 109 Ca 0.48 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.75 3gaf h SER 109 Cb 1.01 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3gaf h SER 109 CO -0.21 0.33 -0.26 0.44 -0.87 0.00 0.00 176.83 176.26 3gaf h ASP 110 N 0.67 0.43 0.09 4.97 5.19 -1.53 -2.10 116.42 124.14 3gaf h ASP 110 Ca 0.42 -0.57 0.01 0.00 -0.62 0.00 0.00 57.03 56.27 3gaf h ASP 110 Cb 0.68 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 3gaf h ASP 110 CO -0.18 0.92 -0.11 0.15 -3.12 0.00 0.00 179.24 176.90 3gaf h PHE 111 N -0.05 -0.29 -0.22 4.55 3.57 -1.17 -2.75 116.94 120.58 3gaf h PHE 111 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3gaf h PHE 111 Cb 0.86 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3gaf h PHE 111 CO 0.11 -0.18 0.03 0.93 -2.23 0.00 0.00 178.31 176.98 3gaf h GLU 112 N -0.24 0.32 -0.15 1.11 5.08 -0.59 -2.79 114.58 117.33 3gaf h GLU 112 Ca 0.01 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3gaf h GLU 112 Cb 0.24 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3gaf h GLU 112 CO -0.05 0.32 -0.45 2.35 -1.00 0.00 0.00 179.01 180.19 3gaf h TRP 113 N 0.32 0.43 -0.73 4.33 2.91 -1.19 -1.67 115.95 120.34 3gaf h TRP 113 Ca 0.08 -0.13 0.07 0.00 1.13 0.00 0.00 58.89 60.04 3gaf h TRP 113 Cb 0.16 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 28.68 3gaf h TRP 113 CO 0.00 0.75 0.48 0.00 -1.03 0.00 0.00 178.44 178.64 3gaf h ALA 114 N 1.24 1.74 0.21 2.65 0.00 -1.20 -1.59 119.26 122.31 3gaf h ALA 114 Ca 0.02 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 3gaf h ALA 114 Cb 0.91 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.55 3gaf h ALA 114 CO 0.08 0.13 -1.39 0.74 0.00 0.00 0.00 179.25 178.80 3gaf h PHE 115 N 0.72 0.86 -0.92 0.00 0.04 -1.55 -0.47 116.94 115.61 3gaf h PHE 115 Ca 0.32 -0.62 0.01 0.00 2.80 0.00 0.00 57.97 60.48 3gaf h PHE 115 Cb 0.33 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.39 3gaf h PHE 115 CO -0.00 1.48 0.60 0.87 -0.60 0.00 0.00 178.31 180.66 3gaf h LYS 116 N 0.14 1.22 0.02 1.51 1.79 -0.89 0.26 116.57 120.62 3gaf h LYS 116 Ca -0.22 -0.08 -0.26 0.00 -2.18 0.00 0.00 60.65 57.92 3gaf h LYS 116 Cb 2.09 -0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 32.44 3gaf h LYS 116 CO 0.25 0.81 -1.40 -0.11 -1.08 0.00 0.00 179.45 177.92 3gaf n LEU 117 N -4.39 1.97 0.14 2.94 7.94 -0.63 -2.32 117.00 122.65 3gaf n LEU 117 Ca 0.11 0.39 0.02 0.00 -1.11 0.00 0.00 56.01 55.41 3gaf n LEU 117 Cb 0.02 -0.99 0.06 0.00 0.53 0.00 0.00 43.42 43.05 3gaf n LEU 117 CO 0.37 0.37 0.47 0.78 -1.11 0.00 0.00 177.39 178.26 3gaf h ASN 118 N -0.85 0.00 0.00 1.96 2.35 -1.15 -3.40 115.58 114.49 3gaf h ASN 118 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3gaf h ASN 118 Cb 1.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.79 3gaf h ASN 118 CO -0.18 0.55 0.00 -0.11 -1.65 0.00 0.00 177.43 176.04 3gaf n LEU 119 N -3.30 0.56 -0.28 1.61 7.94 -0.60 -4.57 117.00 118.36 3gaf n LEU 119 Ca 0.01 0.16 0.18 0.00 -1.11 0.00 0.00 56.01 55.25 3gaf n LEU 119 Cb 0.72 -0.11 0.46 0.00 0.53 0.00 0.00 43.42 45.03 3gaf n LEU 119 CO 0.41 -0.69 1.22 -0.26 -1.11 0.00 0.00 177.39 176.96 3gaf h PHE 120 N 0.00 0.68 0.01 1.96 0.04 -0.61 -1.42 116.94 117.60 3gaf h PHE 120 Ca 0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3gaf h PHE 120 Cb 0.00 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.94 3gaf h PHE 120 CO 0.00 0.16 -0.01 0.66 -0.60 0.00 0.00 178.31 178.53 3gaf h SER 121 N 0.50 -0.01 0.20 2.17 4.64 -1.68 -2.09 113.55 117.27 3gaf h SER 121 Ca 0.51 -0.50 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 3gaf h SER 121 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3gaf h SER 121 CO -0.23 0.49 -0.26 0.17 -0.87 0.00 0.00 176.83 176.13 3gaf h LEU 122 N -0.52 0.12 -0.12 5.97 8.10 -1.70 -1.74 115.31 125.42 3gaf h LEU 122 Ca -0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 57.88 57.93 3gaf h LEU 122 Cb 0.51 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.69 3gaf h LEU 122 CO 0.00 0.39 -0.04 0.15 -4.11 0.00 0.00 178.44 174.83 3gaf h PHE 123 N 0.11 0.27 -0.76 0.17 3.57 -1.25 -1.47 116.94 117.58 3gaf h PHE 123 Ca 0.02 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.47 3gaf h PHE 123 Cb 0.53 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 3gaf h PHE 123 CO 0.00 0.55 0.50 -0.09 -2.23 0.00 0.00 178.31 177.05 3gaf h ARG 124 N -0.09 0.98 -0.17 1.11 9.65 -1.30 -1.54 114.38 123.01 3gaf h ARG 124 Ca 0.03 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.75 3gaf h ARG 124 Cb 0.47 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3gaf h ARG 124 CO 0.01 0.65 -0.34 -0.07 2.80 0.00 0.00 179.97 183.02 3gaf h LEU 125 N 1.01 0.37 -0.67 3.80 3.38 -1.23 -1.16 115.31 120.81 3gaf h LEU 125 Ca 0.29 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3gaf h LEU 125 Cb -0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3gaf h LEU 125 CO -0.07 0.69 0.29 0.28 0.09 0.00 0.00 178.44 179.72 3gaf h SER 126 N 0.31 0.91 -0.87 -0.43 0.02 -1.04 -0.35 113.55 112.10 3gaf h SER 126 Ca 0.04 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3gaf h SER 126 Cb 0.75 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 3gaf h SER 126 CO 0.06 0.82 0.55 1.56 -1.14 0.00 0.00 176.83 178.68 3gaf h GLN 127 N 0.95 1.02 -0.16 3.45 4.20 -0.78 -1.71 115.11 122.08 3gaf h GLN 127 Ca 0.23 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.66 3gaf h GLN 127 Cb 0.18 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.73 3gaf h GLN 127 CO -0.02 0.67 -0.74 -0.07 -0.67 0.00 0.00 178.83 178.00 3gaf h LEU 128 N 1.05 0.87 -0.43 1.46 3.38 -0.99 -3.28 115.31 117.38 3gaf h LEU 128 Ca 0.36 -0.56 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 3gaf h LEU 128 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3gaf h LEU 128 CO -0.14 1.35 -0.72 0.00 0.09 0.00 0.00 178.44 179.03 3gaf h ALA 129 N 0.64 0.62 -0.68 1.53 0.00 -0.99 -3.39 119.26 116.99 3gaf h ALA 129 Ca -0.04 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.31 3gaf h ALA 129 Cb 1.36 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 3gaf h ALA 129 CO 0.15 0.76 0.40 0.00 0.00 0.00 0.00 179.25 180.56 3gaf h ALA 130 N 0.96 0.90 -0.61 0.00 0.00 -1.37 -1.40 119.26 117.74 3gaf h ALA 130 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gaf h ALA 130 Cb 1.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3gaf h ALA 130 CO 0.12 0.12 0.36 -1.35 0.00 0.00 0.00 179.25 178.50 3gaf h PRO 131 N 0.76 0.82 0.00 0.00 0.11 -1.76 -0.78 132.00 131.14 3gaf h PRO 131 Ca 0.29 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 66.16 3gaf h PRO 131 Cb 0.11 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3gaf h PRO 131 CO -0.15 0.58 -0.81 0.45 -0.21 0.00 0.00 178.00 177.86 3gaf h HIS 132 N 0.83 0.00 -0.40 0.65 3.86 -1.55 -1.52 115.15 117.03 3gaf h HIS 132 Ca 0.22 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.28 3gaf h HIS 132 Cb -0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3gaf h HIS 132 CO 0.00 0.81 -0.34 0.52 0.86 0.00 0.00 177.93 179.78 3gaf h MET 133 N 0.00 0.93 -0.39 2.45 2.86 -0.96 -2.11 114.93 117.71 3gaf h MET 133 Ca -0.01 -0.46 -0.05 0.00 -2.06 0.00 0.00 59.70 57.12 3gaf h MET 133 Cb 1.44 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 3gaf h MET 133 CO 0.11 1.12 0.04 0.37 1.06 0.00 0.00 176.91 179.60 3gaf h GLN 134 N 0.77 0.66 0.00 1.72 4.15 -1.05 -0.11 115.11 121.25 3gaf h GLN 134 Ca 0.07 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 3gaf h GLN 134 Cb 0.93 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.54 3gaf h GLN 134 CO 0.09 0.73 -0.15 0.87 -1.93 0.00 0.00 178.83 178.44 3gaf h LYS 135 N 0.50 0.00 -0.16 1.69 1.57 -1.27 0.24 116.57 119.14 3gaf h LYS 135 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gaf h LYS 135 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3gaf h LYS 135 CO 0.01 0.15 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 3gaf n ALA 136 N -2.43 2.52 -2.91 3.86 0.00 -0.79 -4.93 120.51 115.82 3gaf n ALA 136 Ca -0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 3gaf n ALA 136 Cb 0.23 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.63 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 1.03 0.01 0.00 0.00 0.00 0.07 -4.95 105.19 101.34 3gaf n GLY 137 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.16 3.44 3.83 -0.02 0.00 -0.09 -5.00 105.19 106.19 3gaf n GLY 138 Ca -0.12 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 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 0.05 -0.02 -0.02 0.00 -0.91 -4.74 107.32 101.68 3gaf s GLY 139 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 44.46 3gaf s GLY 139 CO 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 173.10 173.91 3gaf s ALA 140 N -2.67 0.91 -0.09 3.20 0.00 -0.11 -1.65 121.76 121.35 3gaf s ALA 140 Ca 0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 3gaf s ALA 140 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3gaf s ALA 140 CO 0.06 0.18 -0.06 0.42 0.00 0.00 0.00 175.76 176.36 3gaf s ILE 141 N -0.02 3.76 -0.14 0.00 1.01 0.65 -1.28 121.20 125.17 3gaf s ILE 141 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 3gaf s ILE 141 Cb -0.07 -2.56 0.04 0.00 0.01 0.00 0.00 42.46 39.88 3gaf s ILE 141 CO 0.00 0.58 -0.05 -0.22 0.00 0.00 0.00 174.94 175.25 3gaf s LEU 142 N -0.58 1.37 -0.21 2.97 2.96 -0.03 -1.40 118.68 123.77 3gaf s LEU 142 Ca 0.09 -0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 3gaf s LEU 142 Cb -0.12 -0.84 -0.05 0.00 0.50 0.00 0.00 46.19 45.69 3gaf s LEU 142 CO 0.02 -0.17 0.22 0.20 -1.32 0.00 0.00 176.35 175.30 3gaf s ASN 143 N 1.70 6.26 -0.44 3.68 0.01 0.03 -0.50 114.94 125.68 3gaf s ASN 143 Ca 0.02 0.29 -0.22 0.00 -0.71 0.00 0.00 52.86 52.25 3gaf s ASN 143 Cb -0.14 -2.14 0.02 0.00 0.41 0.00 0.00 41.25 39.40 3gaf s ASN 143 CO -0.08 0.08 0.70 -0.63 -1.51 0.00 0.00 177.10 175.66 3gaf s ILE 144 N 0.79 4.76 0.00 0.60 -1.09 -0.28 -1.69 121.20 124.30 3gaf s ILE 144 Ca 0.11 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 3gaf s ILE 144 Cb -0.13 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 3gaf s ILE 144 CO 0.03 -0.62 0.00 -0.24 -1.23 0.00 0.00 174.94 172.88 3gaf n SER 145 N 6.42 0.00 -3.46 3.58 2.88 0.14 -4.85 113.62 118.33 3gaf n SER 145 Ca -0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 3gaf n SER 145 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.95 -0.53 0.43 -3.46 0.15 -1.26 -4.49 113.70 103.59 3gaf s SER 146 Ca 0.00 0.10 0.30 0.00 0.70 0.00 0.00 55.95 57.05 3gaf s SER 146 Cb 0.00 0.53 1.42 0.00 -1.71 0.00 0.00 66.02 66.26 3gaf s SER 146 CO 0.00 -0.82 1.90 0.24 1.20 0.00 0.00 173.24 175.76 3gaf h MET 147 N 2.14 0.00 -0.23 5.44 2.86 -1.81 -2.53 114.93 120.81 3gaf h MET 147 Ca -0.30 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 3gaf h MET 147 Cb 1.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 3gaf h MET 147 CO 0.36 0.00 0.09 0.00 1.06 0.00 0.00 176.91 178.43 3gaf h ALA 148 N 2.08 1.74 0.00 6.32 0.00 -1.91 -0.86 119.26 126.63 3gaf h ALA 148 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gaf h ALA 148 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gaf h ALA 148 CO 0.00 0.21 0.25 0.78 0.00 0.00 0.00 179.25 180.49 3gaf h GLY 149 N 0.44 0.00 0.00 0.00 0.00 -1.59 -3.27 103.07 98.65 3gaf h GLY 149 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3gaf h GLY 149 CO -0.01 0.00 -0.59 -2.21 0.00 0.00 0.00 176.54 173.73 3gaf n GLU 150 N -2.45 1.85 -1.72 4.80 2.13 -0.80 -4.11 120.64 120.35 3gaf n GLU 150 Ca -0.01 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.51 3gaf n GLU 150 Cb 0.28 -0.80 0.08 0.00 0.27 0.00 0.00 31.44 31.28 3gaf n GLU 150 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3gaf s ASN 151 N -2.48 4.71 -0.08 4.31 0.02 -0.40 -5.09 114.94 115.93 3gaf s ASN 151 Ca 0.00 1.12 -0.00 0.00 -1.02 0.00 0.00 52.86 52.96 3gaf s ASN 151 Cb 0.00 -1.82 0.02 0.00 0.02 0.00 0.00 41.25 39.48 3gaf s ASN 151 CO 0.00 -1.81 -0.05 0.42 0.02 0.00 0.00 177.10 175.68 3gaf s THR 152 N -3.31 0.75 0.29 1.60 -4.23 -1.26 -4.83 115.64 104.65 3gaf s THR 152 Ca 0.60 -0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 3gaf s THR 152 Cb -0.13 -0.79 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 3gaf s THR 152 CO 0.52 0.31 0.36 0.21 -0.54 0.00 0.00 174.62 175.48 3gaf s ASN 153 N 1.49 0.72 0.66 3.99 3.84 -1.26 -5.15 114.94 119.24 3gaf s ASN 153 Ca -0.01 -1.42 -0.16 0.00 0.21 0.00 0.00 52.86 51.48 3gaf s ASN 153 Cb -0.13 0.57 0.00 0.00 -0.55 0.00 0.00 41.25 41.14 3gaf s ASN 153 CO -0.04 -1.12 1.17 0.54 -2.79 0.00 0.00 177.10 174.85 3gaf s VAL 154 N -3.54 2.77 -0.49 -5.21 0.11 -1.26 -4.03 120.40 108.75 3gaf s VAL 154 Ca 0.33 0.40 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 3gaf s VAL 154 Cb 0.02 -2.99 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 3gaf s VAL 154 CO 0.18 -0.18 0.00 0.54 -3.33 0.00 0.00 175.10 172.31 3gaf n ARG 155 N -2.26 -0.83 -0.23 1.54 1.74 -1.26 -4.87 116.66 110.49 3gaf n ARG 155 Ca 0.12 0.52 0.06 0.00 -0.77 0.00 0.00 57.85 57.79 3gaf n ARG 155 Cb 0.51 -4.34 0.18 0.00 -1.02 0.00 0.00 32.46 27.79 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 -1.84 2.90 -0.29 5.56 2.81 -1.26 -0.57 117.12 124.43 3gaf n MET 156 Ca -0.05 -2.19 -0.06 0.00 -1.81 0.00 0.00 57.70 53.59 3gaf n MET 156 Cb 0.28 -1.36 -0.02 0.00 -0.71 0.00 0.00 33.22 31.41 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 2.17 -0.17 0.08 3.04 0.00 -1.88 0.20 119.26 122.70 3gaf h ALA 157 Ca 0.00 0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 3gaf h ALA 157 Cb 0.84 1.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 3gaf h ALA 157 CO 0.03 -0.76 -0.95 0.66 0.00 0.00 0.00 179.25 178.23 3gaf h SER 158 N -0.12 0.25 0.18 0.00 4.64 -1.91 -3.18 113.55 113.42 3gaf h SER 158 Ca 0.23 -0.85 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 3gaf h SER 158 Cb 0.55 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3gaf h SER 158 CO -0.81 1.41 -0.09 0.22 -0.87 0.00 0.00 176.83 176.69 3gaf h TYR 159 N -0.59 -0.23 -0.67 4.77 3.20 -1.77 -2.49 116.97 119.19 3gaf h TYR 159 Ca -0.21 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.65 3gaf h TYR 159 Cb 1.49 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.81 3gaf h TYR 159 CO 0.17 0.17 0.41 0.78 -1.64 0.00 0.00 178.16 178.05 3gaf h GLY 160 N -0.73 0.96 1.78 1.82 0.00 -0.81 -2.45 103.07 103.64 3gaf h GLY 160 Ca -0.03 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 3gaf h GLY 160 CO 0.04 0.38 -0.65 1.48 0.00 0.00 0.00 176.54 177.79 3gaf h SER 161 N 0.90 0.26 0.09 0.19 4.64 -1.59 -1.23 113.55 116.81 3gaf h SER 161 Ca 0.24 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 3gaf h SER 161 Cb -0.04 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3gaf h SER 161 CO -0.05 0.84 -0.40 0.77 -0.87 0.00 0.00 176.83 177.12 3gaf h SER 162 N 0.16 0.43 0.46 4.97 4.64 -1.40 -1.62 113.55 121.18 3gaf h SER 162 Ca -0.01 -0.18 -0.21 0.00 -0.47 0.00 0.00 61.79 60.91 3gaf h SER 162 Cb 1.18 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3gaf h SER 162 CO 0.10 0.79 -0.92 0.11 -0.87 0.00 0.00 176.83 176.04 3gaf h LYS 163 N 0.34 0.31 -0.70 4.77 1.79 -1.18 -2.18 116.57 119.72 3gaf h LYS 163 Ca 0.03 -0.34 -0.03 0.00 -2.18 0.00 0.00 60.65 58.14 3gaf h LYS 163 Cb 0.86 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.57 3gaf h LYS 163 CO 0.07 1.04 0.34 0.00 -1.08 0.00 0.00 179.45 179.82 3gaf h ALA 164 N 0.84 0.90 -0.67 3.86 0.00 -1.15 -1.94 119.26 121.11 3gaf h ALA 164 Ca -0.06 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3gaf h ALA 164 Cb 1.56 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3gaf h ALA 164 CO 0.15 0.46 0.37 0.00 0.00 0.00 0.00 179.25 180.23 3gaf h ALA 165 N 1.16 0.89 -0.65 0.00 0.00 -1.23 -1.92 119.26 117.52 3gaf h ALA 165 Ca 0.24 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3gaf h ALA 165 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3gaf h ALA 165 CO -0.03 0.04 0.40 0.28 0.00 0.00 0.00 179.25 179.94 3gaf h VAL 166 N 0.68 1.08 -0.50 0.00 2.07 -0.83 0.11 116.25 118.86 3gaf h VAL 166 Ca 0.30 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3gaf h VAL 166 Cb 0.20 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3gaf h VAL 166 CO -0.19 0.14 0.22 0.78 0.02 0.00 0.00 177.57 178.54 3gaf h ASN 167 N 0.79 0.67 0.77 0.57 2.35 -1.02 -1.65 115.58 118.06 3gaf h ASN 167 Ca 0.26 -0.15 -0.25 0.00 -0.55 0.00 0.00 56.30 55.61 3gaf h ASN 167 Cb 0.02 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3gaf h ASN 167 CO -0.11 0.64 -1.17 -0.74 -1.65 0.00 0.00 177.43 174.41 3gaf h HIS 168 N 0.66 0.29 -0.65 1.19 2.76 -1.07 -2.70 115.15 115.63 3gaf h HIS 168 Ca 0.17 -0.21 0.07 0.00 -2.20 0.00 0.00 60.37 58.20 3gaf h HIS 168 Cb 0.17 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.05 3gaf h HIS 168 CO 0.00 1.17 0.33 1.25 -1.30 0.00 0.00 177.93 179.38 3gaf h LEU 169 N 0.04 0.46 -0.08 0.26 5.85 -0.74 -1.15 115.31 119.96 3gaf h LEU 169 Ca -0.09 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3gaf h LEU 169 Cb 1.90 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.85 3gaf h LEU 169 CO 0.17 0.29 -0.15 0.74 -0.34 0.00 0.00 178.44 179.15 3gaf h THR 170 N 0.60 0.61 -0.65 1.05 2.02 -1.12 0.46 112.91 115.89 3gaf h THR 170 Ca 0.30 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.59 3gaf h THR 170 Cb 0.25 0.61 -0.08 0.00 -1.74 0.00 0.00 68.15 67.19 3gaf h THR 170 CO -0.22 0.00 0.25 0.03 0.37 0.00 0.00 175.52 175.95 3gaf h ARG 171 N -0.21 0.41 0.02 6.66 3.08 -1.24 -2.23 114.38 120.87 3gaf h ARG 171 Ca 0.08 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3gaf h ARG 171 Cb 0.32 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.28 3gaf h ARG 171 CO -0.20 0.27 -0.21 -0.91 -1.07 0.00 0.00 179.97 177.85 3gaf h ASN 172 N 0.43 0.15 0.84 7.04 2.35 -0.80 -3.31 115.58 122.28 3gaf h ASN 172 Ca 0.34 -0.88 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 3gaf h ASN 172 Cb 0.44 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3gaf h ASN 172 CO -0.33 1.01 0.00 0.16 -1.65 0.00 0.00 177.43 176.62 3gaf h ILE 173 N -0.69 0.00 -0.85 2.81 3.07 -0.97 -0.72 117.51 120.15 3gaf h ILE 173 Ca -0.03 -0.37 0.20 0.00 1.55 0.00 0.00 64.86 66.20 3gaf h ILE 173 Cb 1.06 1.27 -0.12 0.00 -0.27 0.00 0.00 36.82 38.76 3gaf h ILE 173 CO 0.04 0.00 0.33 0.00 -1.05 0.00 0.00 178.15 177.47 3gaf h ALA 174 N 2.09 1.29 -0.56 0.16 0.00 -1.48 -0.42 119.26 120.34 3gaf h ALA 174 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gaf h ALA 174 Cb 0.42 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3gaf h ALA 174 CO 0.00 -0.33 0.23 0.74 0.00 0.00 0.00 179.25 179.89 3gaf h PHE 175 N 0.37 0.85 -0.48 0.00 -1.00 -1.28 0.22 116.94 115.62 3gaf h PHE 175 Ca 0.51 -0.06 -0.11 0.00 2.81 0.00 0.00 57.97 61.12 3gaf h PHE 175 Cb 0.94 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 3gaf h PHE 175 CO -0.18 0.69 -0.15 -0.44 -1.61 0.00 0.00 178.31 176.63 3gaf h ASP 176 N 0.77 0.93 0.00 2.17 3.45 -1.31 -3.35 116.42 119.09 3gaf h ASP 176 Ca 0.19 -0.32 0.00 0.00 0.43 0.00 0.00 57.03 57.33 3gaf h ASP 176 Cb 0.19 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 3gaf h ASP 176 CO -0.02 1.07 -1.00 1.33 -1.57 0.00 0.00 179.24 179.06 3gaf n VAL 177 N -4.13 0.00 -0.22 -1.35 0.24 -0.26 -4.46 118.33 108.15 3gaf n VAL 177 Ca 0.01 -0.18 -0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3gaf n VAL 177 Cb 0.41 0.80 0.11 0.00 -1.47 0.00 0.00 33.84 33.69 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 3.69 0.92 0.84 7.63 0.00 -0.90 -0.68 103.07 114.57 3gaf h GLY 178 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3gaf h GLY 178 CO 0.00 0.06 0.00 -1.05 0.00 0.00 0.00 176.54 175.55 3gaf n PRO 179 N -4.90 0.22 -0.05 4.80 -0.02 -1.26 -1.83 135.00 131.96 3gaf n PRO 179 Ca 0.09 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.66 3gaf n PRO 179 Cb 0.24 -1.42 0.11 0.00 -0.02 0.00 0.00 33.50 32.40 3gaf n PRO 179 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3gaf n MET 180 N -0.92 1.85 -0.61 -0.52 2.81 -0.28 -4.96 117.12 114.49 3gaf n MET 180 Ca 0.04 -1.78 0.00 0.00 -1.81 0.00 0.00 57.70 54.16 3gaf n MET 180 Cb 0.02 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 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 1.12 0.68 3.36 3.03 0.00 -0.76 -4.30 105.19 108.32 3gaf n GLY 181 Ca 0.13 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 3.49 0.17 -0.61 1.01 -1.07 -2.15 121.20 120.04 3gaf s ILE 182 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 3gaf s ILE 182 Cb 0.00 -2.57 -0.07 0.00 0.01 0.00 0.00 42.46 39.83 3gaf s ILE 182 CO 0.00 0.44 0.60 -0.13 0.00 0.00 0.00 174.94 175.85 3gaf s ARG 183 N 1.16 4.05 -0.10 2.79 0.52 -0.66 -3.18 118.95 123.54 3gaf s ARG 183 Ca 0.02 0.59 -0.01 0.00 -0.52 0.00 0.00 55.73 55.81 3gaf s ARG 183 Cb -0.14 -2.92 0.03 0.00 0.52 0.00 0.00 34.95 32.44 3gaf s ARG 183 CO -0.01 0.46 -0.02 0.08 0.02 0.00 0.00 175.30 175.83 3gaf s VAL 184 N -1.48 0.64 0.24 3.52 1.01 -1.26 -0.25 120.40 122.82 3gaf s VAL 184 Ca 0.39 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.25 3gaf s VAL 184 Cb -0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 3gaf s VAL 184 CO 0.20 0.23 0.07 0.20 0.00 0.00 0.00 175.10 175.79 3gaf s ASN 185 N 1.85 1.26 0.05 3.32 0.01 -0.49 0.12 114.94 121.05 3gaf s ASN 185 Ca 0.04 -1.33 0.01 0.00 -0.71 0.00 0.00 52.86 50.88 3gaf s ASN 185 Cb -0.13 0.14 -0.03 0.00 0.41 0.00 0.00 41.25 41.64 3gaf s ASN 185 CO -0.07 -0.68 -0.06 0.00 -1.51 0.00 0.00 177.10 174.78 3gaf s ALA 186 N -3.70 0.56 -0.13 0.60 0.00 0.45 -0.79 121.76 118.74 3gaf s ALA 186 Ca 0.34 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3gaf s ALA 186 Cb 0.07 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 3gaf s ALA 186 CO 0.11 -0.11 -0.18 0.42 0.00 0.00 0.00 175.76 176.01 3gaf s ILE 187 N -1.99 2.55 -0.65 0.00 1.01 -0.68 -0.03 121.20 121.41 3gaf s ILE 187 Ca -0.06 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 3gaf s ILE 187 Cb -0.06 -2.05 0.17 0.00 0.01 0.00 0.00 42.46 40.53 3gaf s ILE 187 CO -0.02 0.53 0.59 0.00 0.00 0.00 0.00 174.94 176.04 3gaf s ALA 188 N 0.58 3.79 0.35 9.38 0.00 -0.44 -0.69 121.76 134.74 3gaf s ALA 188 Ca -0.10 -2.88 -0.26 0.00 0.00 0.00 0.00 51.96 48.71 3gaf s ALA 188 Cb -0.16 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 3gaf s ALA 188 CO 0.03 -2.11 1.09 -1.25 0.00 0.00 0.00 175.76 173.52 3gaf s PRO 189 N 0.93 4.32 0.00 0.00 0.04 -1.26 -1.63 135.00 137.41 3gaf s PRO 189 Ca 0.10 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3gaf s PRO 189 Cb -0.21 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.51 3gaf s PRO 189 CO -0.02 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.38 3gaf n GLY 190 N 0.72 -0.79 3.65 0.56 0.00 0.18 -3.65 105.19 105.88 3gaf n GLY 190 Ca 0.03 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.52 3.59 -0.19 4.61 0.00 -1.26 -4.98 121.76 120.01 3gaf s ALA 191 Ca 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 3gaf s ALA 191 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 3gaf s ALA 191 CO 0.00 -1.37 -0.03 0.42 0.00 0.00 0.00 175.76 174.78 3gaf s ILE 192 N 3.91 3.69 -1.24 0.00 -1.09 -1.26 -2.53 121.20 122.68 3gaf s ILE 192 Ca 0.63 -0.40 -0.17 0.00 -2.23 0.00 0.00 60.65 58.47 3gaf s ILE 192 Cb -0.25 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 3gaf s ILE 192 CO 0.22 0.45 2.06 2.29 -1.23 0.00 0.00 174.94 178.72 3gaf n LYS 193 N 4.21 2.47 -1.26 2.79 2.85 0.66 -4.92 118.16 124.95 3gaf n LYS 193 Ca -0.18 -2.49 -0.17 0.00 -1.05 0.00 0.00 58.31 54.42 3gaf n LYS 193 Cb 0.52 -3.25 0.12 0.00 -0.65 0.00 0.00 35.03 31.77 3gaf n LYS 193 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3gaf n THR 194 N 5.70 0.00 -2.16 0.58 -2.24 -1.26 -4.68 114.28 110.22 3gaf n THR 194 Ca 0.50 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 61.32 3gaf n THR 194 Cb 0.41 -1.61 -0.05 0.00 -2.10 0.00 0.00 70.33 66.98 3gaf n THR 194 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gaf s ASP 195 N -3.91 5.37 -0.47 3.42 1.01 -1.26 -4.99 116.67 115.83 3gaf s ASP 195 Ca 0.45 -1.56 0.07 0.00 0.71 0.00 0.00 52.55 52.23 3gaf s ASP 195 Cb -0.01 -2.58 0.18 0.00 1.01 0.00 0.00 42.92 41.52 3gaf s ASP 195 CO 0.32 -2.68 0.67 0.00 0.21 0.00 0.00 175.17 173.69 3gaf s ALA 196 N 9.63 -2.11 0.00 5.23 0.00 -1.26 -5.05 121.76 128.20 3gaf s ALA 196 Ca 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3gaf s ALA 196 Cb -0.01 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.42 3gaf s ALA 196 CO 0.09 -2.22 0.00 0.28 0.00 0.00 0.00 175.76 173.90 3gaf n VAL 200 N 3.58 0.00 -2.74 0.00 0.31 -1.26 -5.03 118.33 113.19 3gaf n VAL 200 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.06 3gaf n VAL 200 Cb 0.56 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.46 3gaf n VAL 200 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3gaf s LEU 201 N 0.00 4.22 0.67 7.52 2.96 -1.26 -5.06 118.68 127.74 3gaf s LEU 201 Ca 0.00 1.43 -0.05 0.00 -0.22 0.00 0.00 54.13 55.29 3gaf s LEU 201 Cb 0.00 -3.47 0.05 0.00 0.50 0.00 0.00 46.19 43.27 3gaf s LEU 201 CO 0.00 -0.44 0.96 0.42 -1.32 0.00 0.00 176.35 175.97 3gaf s THR 202 N 2.07 2.42 0.19 3.68 -4.23 -1.26 -4.95 115.64 113.57 3gaf s THR 202 Ca 0.46 -0.33 -0.09 0.00 -1.18 0.00 0.00 61.69 60.55 3gaf s THR 202 Cb -0.18 -3.03 0.08 0.00 1.34 0.00 0.00 72.50 70.72 3gaf s THR 202 CO 0.16 -0.03 1.67 -0.65 -0.54 0.00 0.00 174.62 175.23 3gaf h PRO 203 N -0.45 1.09 0.00 3.99 0.11 -1.99 -2.24 132.00 132.51 3gaf h PRO 203 Ca -0.44 -0.31 -0.06 0.00 0.11 0.00 0.00 66.00 65.30 3gaf h PRO 203 Cb 1.31 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3gaf h PRO 203 CO 0.59 1.02 -0.87 1.05 -0.21 0.00 0.00 178.00 179.58 3gaf h GLU 204 N 1.01 0.00 0.30 1.05 9.09 -1.98 -2.05 114.58 121.99 3gaf h GLU 204 Ca 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.59 3gaf h GLU 204 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 3gaf h GLU 204 CO 0.02 0.16 -0.14 0.82 0.05 0.00 0.00 179.01 179.91 3gaf h ILE 205 N 0.00 0.72 -0.93 -1.06 2.04 -1.96 -2.16 117.51 114.15 3gaf h ILE 205 Ca -0.05 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3gaf h ILE 205 Cb 1.22 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 3gaf h ILE 205 CO 0.02 0.02 0.54 -0.08 0.00 0.00 0.00 178.15 178.66 3gaf h GLU 206 N -0.45 1.28 -0.96 2.37 4.81 -1.42 -1.71 114.58 118.50 3gaf h GLU 206 Ca -0.04 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3gaf h GLU 206 Cb 0.34 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 3gaf h GLU 206 CO 0.07 0.91 0.64 -0.09 -0.73 0.00 0.00 179.01 179.80 3gaf h ARG 207 N 1.29 1.23 -0.09 1.92 2.43 -1.38 -1.79 114.38 117.99 3gaf h ARG 207 Ca 0.33 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3gaf h ARG 207 Cb -0.03 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.24 3gaf h ARG 207 CO -0.06 0.81 0.04 0.00 -1.51 0.00 0.00 179.97 179.25 3gaf h ALA 208 N 1.42 0.12 -0.42 2.80 0.00 -0.65 -2.77 119.26 119.76 3gaf h ALA 208 Ca 0.37 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3gaf h ALA 208 Cb -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3gaf h ALA 208 CO -0.10 -0.30 0.28 0.52 0.00 0.00 0.00 179.25 179.66 3gaf h MET 209 N -0.00 0.43 0.00 0.00 2.86 -1.23 -2.04 114.93 114.95 3gaf h MET 209 Ca 0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3gaf h MET 209 Cb 0.16 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3gaf h MET 209 CO -0.00 0.28 0.00 1.28 1.06 0.00 0.00 176.91 179.53 3gaf n LEU 210 N -4.48 0.66 -0.26 1.22 4.77 -0.69 -4.03 117.00 114.20 3gaf n LEU 210 Ca 0.04 0.59 0.04 0.00 -0.03 0.00 0.00 56.01 56.65 3gaf n LEU 210 Cb 0.16 -0.41 0.17 0.00 -2.33 0.00 0.00 43.42 41.02 3gaf n LEU 210 CO 0.35 -0.25 1.07 0.11 -1.33 0.00 0.00 177.39 177.33 3gaf h LYS 211 N 0.00 0.57 -0.31 3.23 1.79 -1.08 -2.38 116.57 118.38 3gaf h LYS 211 Ca 0.00 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.29 3gaf h LYS 211 Cb 0.61 -0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.04 3gaf h LYS 211 CO 0.00 0.38 -0.10 0.72 -1.08 0.00 0.00 179.45 179.37 3gaf n HIS 212 N -4.88 0.98 -3.53 -1.35 8.25 -1.26 -4.86 115.22 108.57 3gaf n HIS 212 Ca 0.13 -1.51 -0.41 0.00 -0.26 0.00 0.00 57.72 55.66 3gaf n HIS 212 Cb 0.34 -0.45 -0.08 0.00 1.12 0.00 0.00 29.99 30.92 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 -3.20 4.38 0.56 1.59 2.01 -0.90 -2.04 115.64 118.05 3gaf s THR 213 Ca 0.44 -2.00 0.37 0.00 0.31 0.00 0.00 61.69 60.81 3gaf s THR 213 Cb 0.40 -3.85 0.55 0.00 0.01 0.00 0.00 72.50 69.60 3gaf s THR 213 CO 0.00 -0.83 1.73 -0.65 -0.69 0.00 0.00 174.62 174.19 3gaf h PRO 214 N 8.22 0.00 -0.01 4.92 0.11 -1.82 -1.05 132.00 142.38 3gaf h PRO 214 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3gaf h PRO 214 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gaf h PRO 214 CO 0.84 0.00 -0.36 1.28 -0.21 0.00 0.00 178.00 179.56 3gaf n LEU 215 N -3.99 1.11 -0.37 2.35 4.77 -1.06 -4.96 117.00 114.85 3gaf n LEU 215 Ca 0.26 -0.31 -0.05 0.00 -0.03 0.00 0.00 56.01 55.88 3gaf n LEU 215 Cb 1.32 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 42.27 3gaf n LEU 215 CO 0.38 0.21 -0.05 0.61 -1.33 0.00 0.00 177.39 177.22 3gaf n GLY 216 N 1.38 0.73 3.10 -0.72 0.00 -0.40 -4.99 105.19 104.29 3gaf n GLY 216 Ca 0.10 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.95 0.48 1.15 1.61 1.70 -1.26 -5.08 118.95 115.60 3gaf s ARG 217 Ca 0.00 -0.47 -0.16 0.00 -0.47 0.00 0.00 55.73 54.63 3gaf s ARG 217 Cb 0.00 0.20 0.26 0.00 -0.57 0.00 0.00 34.95 34.84 3gaf s ARG 217 CO 0.00 -0.11 1.08 -0.51 -1.08 0.00 0.00 175.30 174.68 3gaf s LEU 218 N -1.50 0.88 0.37 -1.89 1.43 -1.26 -4.89 118.68 111.83 3gaf s LEU 218 Ca -0.14 0.91 0.04 0.00 -1.03 0.00 0.00 54.13 53.91 3gaf s LEU 218 Cb -0.07 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 3gaf s LEU 218 CO 0.01 -3.88 0.54 -0.83 0.23 0.00 0.00 176.35 172.42 3gaf s GLY 219 N -3.58 1.56 0.06 -3.19 0.00 -1.05 -4.91 107.32 96.21 3gaf s GLY 219 Ca 0.69 -1.29 0.05 0.00 0.00 0.00 0.00 44.72 44.17 3gaf s GLY 219 CO 0.57 -1.18 -0.07 -0.54 0.00 0.00 0.00 173.10 171.89 3gaf s GLU 220 N -4.31 2.37 0.37 2.90 0.41 -1.26 -0.24 118.70 118.93 3gaf s GLU 220 Ca 0.46 -0.87 0.17 0.00 -0.41 0.00 0.00 54.97 54.32 3gaf s GLU 220 Cb -0.10 -2.42 1.12 0.00 -1.78 0.00 0.00 34.13 30.95 3gaf s GLU 220 CO 0.34 0.55 1.69 0.00 -0.49 0.00 0.00 175.26 177.35 3gaf h ALA 221 N 3.95 2.12 -0.32 5.21 0.00 -1.91 0.15 119.26 128.47 3gaf h ALA 221 Ca -0.48 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3gaf h ALA 221 Cb 1.17 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3gaf h ALA 221 CO 0.54 -0.68 -0.16 0.37 0.00 0.00 0.00 179.25 179.33 3gaf h GLN 222 N 0.33 0.57 -0.45 0.00 5.75 -1.94 -1.21 115.11 118.16 3gaf h GLN 222 Ca 0.71 -0.18 0.09 0.00 -0.15 0.00 0.00 58.65 59.12 3gaf h GLN 222 Cb 1.73 -0.05 -0.09 0.00 1.07 0.00 0.00 27.48 30.14 3gaf h GLN 222 CO -0.49 0.71 -0.21 -0.44 -2.65 0.00 0.00 178.83 175.74 3gaf h ASP 223 N 0.52 -0.73 -0.48 -0.69 3.32 -1.10 -0.42 116.42 116.83 3gaf h ASP 223 Ca 0.09 0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 3gaf h ASP 223 Cb 0.57 0.39 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 3gaf h ASP 223 CO 0.04 -0.24 0.16 0.40 -1.72 0.00 0.00 179.24 177.88 3gaf h ILE 224 N -0.12 1.22 -0.96 0.35 1.08 -1.43 -2.93 117.51 114.73 3gaf h ILE 224 Ca 0.21 -0.73 0.01 0.00 -0.39 0.00 0.00 64.86 63.96 3gaf h ILE 224 Cb 0.45 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 3gaf h ILE 224 CO -0.53 0.27 0.62 0.00 -0.69 0.00 0.00 178.15 177.82 3gaf h ALA 225 N 1.02 1.30 -0.57 1.87 0.00 -0.65 0.11 119.26 122.33 3gaf h ALA 225 Ca 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3gaf h ALA 225 Cb 0.25 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3gaf h ALA 225 CO -0.01 0.64 0.24 -0.91 0.00 0.00 0.00 179.25 179.21 3gaf h ASN 226 N 1.30 0.78 -0.39 0.00 2.35 -1.05 0.20 115.58 118.78 3gaf h ASN 226 Ca 0.35 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.86 3gaf h ASN 226 Cb -0.13 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 3gaf h ASN 226 CO -0.07 0.73 -0.05 0.00 -1.65 0.00 0.00 177.43 176.38 3gaf h ALA 227 N 1.08 0.53 -0.30 -0.83 0.00 -1.22 -1.38 119.26 117.15 3gaf h ALA 227 Ca 0.19 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3gaf h ALA 227 Cb 0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3gaf h ALA 227 CO -0.02 0.36 -0.06 0.00 0.00 0.00 0.00 179.25 179.53 3gaf h ALA 228 N 0.86 0.21 -0.26 0.00 0.00 -0.47 -1.29 119.26 118.30 3gaf h ALA 228 Ca 0.10 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3gaf h ALA 228 Cb 0.55 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3gaf h ALA 228 CO 0.03 -0.46 -0.03 1.25 0.00 0.00 0.00 179.25 180.05 3gaf h LEU 229 N 0.01 -0.16 -0.12 0.00 5.85 -0.42 -1.09 115.31 119.38 3gaf h LEU 229 Ca 0.14 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.97 3gaf h LEU 229 Cb 0.21 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3gaf h LEU 229 CO -0.29 -0.05 -0.26 0.15 -0.34 0.00 0.00 178.44 177.65 3gaf h PHE 230 N 0.05 -0.70 0.00 1.25 3.57 -0.84 -2.16 116.94 118.11 3gaf h PHE 230 Ca 0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3gaf h PHE 230 Cb 0.17 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 3gaf h PHE 230 CO -0.22 -0.34 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.32 3gaf h LEU 231 N -0.33 0.00 -1.34 0.59 3.38 -0.95 -2.43 115.31 114.22 3gaf h LEU 231 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gaf h LEU 231 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3gaf h LEU 231 CO -0.31 0.13 -0.19 0.00 0.09 0.00 0.00 178.44 178.15 3gaf s SER 233 N -2.22 6.14 0.67 0.00 1.04 -0.83 -4.83 113.70 113.68 3gaf s SER 233 Ca 0.26 0.17 0.40 0.00 0.48 0.00 0.00 55.95 57.26 3gaf s SER 233 Cb 0.19 -1.72 2.17 0.00 0.10 0.00 0.00 66.02 66.76 3gaf s SER 233 CO 0.42 -0.34 2.22 1.55 0.98 0.00 0.00 173.24 178.08 3gaf h PRO 234 N 0.83 0.00 0.00 4.02 0.13 -1.79 -1.60 132.00 133.59 3gaf h PRO 234 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3gaf h PRO 234 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3gaf h PRO 234 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 3gaf n ALA 235 N -2.02 1.51 -1.65 -0.56 0.00 -1.17 -1.53 120.51 115.09 3gaf n ALA 235 Ca -0.03 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.44 3gaf n ALA 235 Cb 0.18 -1.16 0.16 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.43 3.18 0.29 0.00 0.00 -0.60 -4.85 120.51 117.10 3gaf n ALA 236 Ca 0.03 -2.97 0.12 0.00 0.00 0.00 0.00 53.44 50.63 3gaf n ALA 236 Cb 0.10 -0.42 0.58 0.00 0.00 0.00 0.00 19.45 19.72 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 0.79 1.00 -0.25 0.00 0.00 -1.37 0.48 119.26 119.91 3gaf h ALA 237 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gaf h ALA 237 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gaf h ALA 237 CO 0.01 0.00 0.00 1.87 0.00 0.00 0.00 179.25 181.13 3gaf n TRP 238 N -2.35 0.83 -3.78 0.00 -0.00 -1.26 -4.97 117.44 105.92 3gaf n TRP 238 Ca 0.00 -0.85 -0.36 0.00 -0.00 0.00 0.00 57.50 56.29 3gaf n TRP 238 Cb 0.14 -0.28 -0.13 0.00 -0.00 0.00 0.00 31.31 31.05 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 -2.65 4.11 0.00 5.87 1.01 0.16 -5.09 121.20 124.61 3gaf s ILE 239 Ca 0.39 -0.30 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 3gaf s ILE 239 Cb 0.31 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.88 3gaf s ILE 239 CO 0.09 0.31 0.44 -0.55 0.00 0.00 0.00 174.94 175.23 3gaf s SER 240 N 1.58 -0.34 -0.56 3.58 0.15 -1.26 -4.69 113.70 112.16 3gaf s SER 240 Ca 0.06 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.90 3gaf s SER 240 Cb -0.15 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 3gaf s SER 240 CO 0.02 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.50 3gaf n GLY 241 N 0.87 0.77 3.91 9.45 0.00 0.12 -4.97 105.19 115.34 3gaf n GLY 241 Ca -0.20 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.09 3.36 -0.29 1.61 -1.52 -1.25 -4.27 119.66 115.21 3gaf s GLN 242 Ca 0.00 -0.55 0.03 0.00 -1.95 0.00 0.00 55.36 52.89 3gaf s GLN 242 Cb 0.00 -2.96 0.07 0.00 -0.22 0.00 0.00 33.01 29.90 3gaf s GLN 242 CO 0.00 0.56 -0.06 0.08 -0.25 0.00 0.00 175.29 175.63 3gaf s VAL 243 N -1.61 2.21 -0.34 1.09 1.01 -1.26 -0.41 120.40 121.09 3gaf s VAL 243 Ca 0.34 -1.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.32 3gaf s VAL 243 Cb -0.12 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3gaf s VAL 243 CO 0.27 -0.22 0.25 -0.22 0.00 0.00 0.00 175.10 175.18 3gaf s LEU 244 N 1.04 4.49 -0.25 3.92 2.96 0.96 -4.91 118.68 126.89 3gaf s LEU 244 Ca -0.02 -0.39 -0.22 0.00 -0.22 0.00 0.00 54.13 53.28 3gaf s LEU 244 Cb -0.20 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 3gaf s LEU 244 CO -0.06 -0.23 0.69 -0.89 -1.32 0.00 0.00 176.35 174.54 3gaf s THR 245 N 1.74 4.94 -0.44 3.68 2.01 -1.26 -1.32 115.64 124.99 3gaf s THR 245 Ca 0.06 1.26 -0.05 0.00 0.31 0.00 0.00 61.69 63.28 3gaf s THR 245 Cb -0.17 -3.99 0.12 0.00 0.01 0.00 0.00 72.50 68.46 3gaf s THR 245 CO 0.11 0.00 0.26 -0.69 -0.69 0.00 0.00 174.62 173.61 3gaf s VAL 246 N 2.57 3.63 0.00 3.82 1.01 -0.64 -4.89 120.40 125.90 3gaf s VAL 246 Ca 0.29 -1.98 0.02 0.00 0.00 0.00 0.00 61.98 60.31 3gaf s VAL 246 Cb -0.15 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.81 3gaf s VAL 246 CO 0.08 -0.73 0.77 -1.54 0.00 0.00 0.00 175.10 173.69 3gaf n SER 247 N 4.68 -0.12 0.00 3.32 3.41 -1.26 0.52 113.62 124.17 3gaf n SER 247 Ca -0.04 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.06 3gaf n SER 247 Cb 0.41 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.05 0.14 0.00 5.00 0.00 -1.26 -2.52 105.19 106.59 3gaf n GLY 248 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.33 0.65 0.00 -0.02 0.00 -1.26 -2.55 105.19 101.68 3gaf n GLY 249 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.40 3.19 3.42 -0.02 0.00 -1.05 -4.62 105.19 104.71 3gaf n GLY 250 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.81 2.33 -0.78 1.61 -7.23 -0.86 -4.81 120.40 109.85 3gaf s VAL 251 Ca 0.00 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 3gaf s VAL 251 Cb 0.00 -2.11 0.21 0.00 0.56 0.00 0.00 36.38 35.04 3gaf s VAL 251 CO 0.00 -0.12 0.71 0.00 -0.31 0.00 0.00 175.10 175.38 3gaf n GLN 252 N 0.27 2.43 0.00 4.82 3.00 -1.26 -3.84 117.38 122.80 3gaf n GLN 252 Ca -0.13 -4.54 0.00 0.00 -0.01 0.00 0.00 57.00 52.32 3gaf n GLN 252 Cb 0.56 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 28.46 3gaf n GLN 252 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45