#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 1.28 -0.31 -1.46 -0.04 -1.26 -3.24 135.00 129.98 3gaf n PRO 6 Ca 0.00 -0.41 0.06 0.00 -0.04 0.00 0.00 63.50 63.11 3gaf n PRO 6 Cb 0.00 -1.48 0.20 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.49 0.76 -4.05 0.54 3.72 -1.26 -0.50 117.46 116.18 3gaf n PHE 7 Ca 0.21 -0.33 -0.27 0.00 -0.05 0.00 0.00 57.45 57.02 3gaf n PHE 7 Cb 0.21 -0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 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 -1.59 3.22 -0.77 1.38 3.76 -1.20 -4.93 115.29 115.16 3gaf s HIS 8 Ca 0.30 0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.22 3gaf s HIS 8 Cb 0.18 -1.55 0.36 0.00 1.11 0.00 0.00 32.58 32.68 3gaf s HIS 8 CO 0.17 0.52 1.85 1.28 -0.85 0.00 0.00 174.74 177.71 3gaf n LEU 9 N -0.28 6.98 -4.68 0.89 4.32 -0.06 -4.49 117.00 119.67 3gaf n LEU 9 Ca -0.08 -4.92 -0.42 0.00 -0.02 0.00 0.00 56.01 50.57 3gaf n LEU 9 Cb 0.54 -0.95 -0.03 0.00 -1.62 0.00 0.00 43.42 41.36 3gaf n LEU 9 CO 0.45 1.86 1.16 0.20 -1.22 0.00 0.00 177.39 179.83 3gaf s ASN 10 N -1.57 6.83 -1.50 -1.43 0.01 -1.25 -2.06 114.94 113.97 3gaf s ASN 10 Ca 0.51 2.08 -0.13 0.00 -0.71 0.00 0.00 52.86 54.61 3gaf s ASN 10 Cb 0.43 -2.55 0.07 0.00 0.41 0.00 0.00 41.25 39.61 3gaf s ASN 10 CO -0.37 -0.76 1.03 -0.90 -1.51 0.00 0.00 177.10 174.58 3gaf n ASP 11 N 5.85 -5.14 -4.90 -1.22 3.85 -1.25 -5.01 116.55 108.73 3gaf n ASP 11 Ca 0.14 -0.73 -0.31 0.00 -0.71 0.00 0.00 54.79 53.18 3gaf n ASP 11 Cb 0.44 -4.11 -0.04 0.00 -1.35 0.00 0.00 41.12 36.05 3gaf n ASP 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gaf s ALA 12 N -3.30 3.75 -0.21 2.12 0.00 -0.88 -4.98 121.76 118.26 3gaf s ALA 12 Ca 0.65 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3gaf s ALA 12 Cb -0.32 -2.17 0.03 0.00 0.00 0.00 0.00 23.12 20.65 3gaf s ALA 12 CO 0.81 0.58 -0.14 0.08 0.00 0.00 0.00 175.76 177.09 3gaf s VAL 13 N -1.75 2.36 -0.12 0.00 1.01 -1.26 -0.23 120.40 120.41 3gaf s VAL 13 Ca 0.42 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3gaf s VAL 13 Cb -0.12 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 3gaf s VAL 13 CO 0.25 0.34 -0.18 0.00 0.00 0.00 0.00 175.10 175.51 3gaf s ALA 14 N 1.27 2.40 -0.09 5.51 0.00 0.17 -1.31 121.76 129.71 3gaf s ALA 14 Ca 0.01 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 3gaf s ALA 14 Cb -0.15 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 3gaf s ALA 14 CO -0.09 0.18 0.41 0.42 0.00 0.00 0.00 175.76 176.69 3gaf s ILE 15 N 0.48 5.16 -0.16 0.00 1.01 -0.40 0.41 121.20 127.71 3gaf s ILE 15 Ca -0.12 0.82 -0.00 0.00 0.00 0.00 0.00 60.65 61.34 3gaf s ILE 15 Cb -0.17 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.61 3gaf s ILE 15 CO 0.05 0.42 -0.05 -0.69 0.00 0.00 0.00 174.94 174.67 3gaf s VAL 16 N 0.04 1.11 0.30 2.92 1.01 0.07 -0.36 120.40 125.48 3gaf s VAL 16 Ca 0.23 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 3gaf s VAL 16 Cb -0.15 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3gaf s VAL 16 CO 0.10 0.15 0.53 0.42 0.00 0.00 0.00 175.10 176.29 3gaf s THR 17 N 1.64 5.08 -1.46 3.92 -4.23 -1.01 -1.04 115.64 118.54 3gaf s THR 17 Ca 0.01 -0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.27 3gaf s THR 17 Cb -0.15 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 69.95 3gaf s THR 17 CO -0.08 -0.39 0.59 0.61 -0.54 0.00 0.00 174.62 174.81 3gaf n GLY 18 N -1.22 -0.30 1.78 3.99 0.00 -0.98 -3.24 105.19 105.21 3gaf n GLY 18 Ca -0.03 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.41 4.88 0.00 4.61 0.00 0.44 -4.41 120.51 121.63 3gaf n ALA 19 Ca -0.20 -2.85 -0.17 0.00 0.00 0.00 0.00 53.44 50.22 3gaf n ALA 19 Cb 0.63 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 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 1.34 0.07 -4.46 0.00 0.00 -1.83 -3.28 119.26 111.09 3gaf h ALA 20 Ca 0.41 -0.57 -0.38 0.00 0.00 0.00 0.00 54.91 54.37 3gaf h ALA 20 Cb 2.32 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 20.06 3gaf h ALA 20 CO 0.77 0.34 -0.32 0.00 0.00 0.00 0.00 179.25 180.04 3gaf n ALA 21 N -2.59 0.41 -0.68 0.00 0.00 -1.26 -4.75 120.51 111.64 3gaf n ALA 21 Ca -0.10 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 51.91 3gaf n ALA 21 Cb 0.67 0.98 0.00 0.00 0.00 0.00 0.00 19.45 21.10 3gaf n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaf n GLY 22 N 0.09 2.80 0.24 0.00 0.00 -1.26 -1.88 105.19 105.18 3gaf n GLY 22 Ca -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 1.03 -0.01 -0.61 2.04 -1.92 -2.51 117.51 115.53 3gaf h ILE 23 Ca 0.00 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 3gaf h ILE 23 Cb 0.00 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3gaf h ILE 23 CO 0.00 0.12 -0.67 1.23 0.00 0.00 0.00 178.15 178.84 3gaf h GLY 24 N 0.68 0.07 0.90 5.37 0.00 -1.75 -1.44 103.07 106.90 3gaf h GLY 24 Ca 0.25 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 3gaf h GLY 24 CO -0.12 0.09 0.02 -0.09 0.00 0.00 0.00 176.54 176.43 3gaf h ARG 25 N 0.05 0.56 -0.69 4.80 2.43 -1.09 -2.34 114.38 118.09 3gaf h ARG 25 Ca -0.01 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3gaf h ARG 25 Cb 1.18 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 3gaf h ARG 25 CO 0.09 0.68 0.18 0.00 -1.51 0.00 0.00 179.97 179.41 3gaf h ALA 26 N 0.86 1.02 -0.36 2.80 0.00 -1.25 -0.51 119.26 121.82 3gaf h ALA 26 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3gaf h ALA 26 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3gaf h ALA 26 CO 0.01 0.65 0.15 0.82 0.00 0.00 0.00 179.25 180.88 3gaf h ILE 27 N 1.04 1.18 -0.41 0.00 2.04 -1.23 0.21 117.51 120.33 3gaf h ILE 27 Ca 0.22 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3gaf h ILE 27 Cb 0.34 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3gaf h ILE 27 CO -0.00 0.20 0.16 0.00 0.00 0.00 0.00 178.15 178.51 3gaf h ALA 28 N 1.00 0.53 0.49 1.87 0.00 -1.21 -0.80 119.26 121.14 3gaf h ALA 28 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3gaf h ALA 28 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gaf h ALA 28 CO -0.01 0.13 -0.24 0.78 0.00 0.00 0.00 179.25 179.92 3gaf h GLY 29 N 0.52 -0.69 0.51 0.00 0.00 -0.97 -2.70 103.07 99.75 3gaf h GLY 29 Ca 0.14 0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.82 3gaf h GLY 29 CO -0.01 -0.25 0.52 -0.84 0.00 0.00 0.00 176.54 175.96 3gaf h THR 30 N -0.66 0.92 -0.31 4.70 2.02 -0.98 -2.63 112.91 115.97 3gaf h THR 30 Ca -0.07 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 3gaf h THR 30 Cb 0.51 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3gaf h THR 30 CO 0.11 0.16 -0.35 -0.26 0.37 0.00 0.00 175.52 175.54 3gaf h PHE 31 N 0.86 0.81 -0.30 3.16 -1.00 -1.08 -2.02 116.94 117.37 3gaf h PHE 31 Ca 0.43 -0.22 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 3gaf h PHE 31 Cb 0.39 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 3gaf h PHE 31 CO -0.04 0.95 0.12 0.00 -1.61 0.00 0.00 178.31 177.72 3gaf h ALA 32 N 1.03 0.39 -0.57 2.45 0.00 -1.34 -0.24 119.26 120.98 3gaf h ALA 32 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gaf h ALA 32 Cb 0.87 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3gaf h ALA 32 CO 0.08 -0.00 0.37 1.57 0.00 0.00 0.00 179.25 181.27 3gaf h LYS 33 N 0.34 0.68 0.00 0.00 2.10 -1.26 0.12 116.57 118.55 3gaf h LYS 33 Ca 0.10 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 3gaf h LYS 33 Cb 0.19 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 3gaf h LYS 33 CO -0.01 0.45 0.00 0.00 -2.00 0.00 0.00 179.45 177.89 3gaf n ALA 34 N -2.46 2.16 0.00 0.07 0.00 -0.78 -4.89 120.51 114.62 3gaf n ALA 34 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3gaf n ALA 34 Cb 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 0.76 1.28 3.78 0.00 0.00 0.42 -0.88 105.19 110.55 3gaf n GLY 35 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 3.29 -0.12 4.61 0.00 -0.15 -3.86 121.76 123.53 3gaf s ALA 36 Ca 0.00 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 3gaf s ALA 36 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 3gaf s ALA 36 CO 0.00 0.21 1.00 -1.12 0.00 0.00 0.00 175.76 175.86 3gaf s SER 37 N -1.49 7.21 -0.18 0.00 0.01 0.68 -4.20 113.70 115.73 3gaf s SER 37 Ca 0.46 1.50 -0.01 0.00 1.31 0.00 0.00 55.95 59.20 3gaf s SER 37 Cb -0.20 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.48 3gaf s SER 37 CO 0.25 -0.47 -0.12 -0.69 0.41 0.00 0.00 173.24 172.63 3gaf s VAL 38 N 2.15 2.91 -0.43 3.43 1.01 0.20 -0.66 120.40 129.01 3gaf s VAL 38 Ca 0.47 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 3gaf s VAL 38 Cb -0.18 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 33.97 3gaf s VAL 38 CO 0.16 0.49 0.46 -0.69 0.00 0.00 0.00 175.10 175.53 3gaf s VAL 39 N 1.01 5.06 -0.07 2.92 1.01 0.17 -1.85 120.40 128.65 3gaf s VAL 39 Ca -0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 3gaf s VAL 39 Cb -0.15 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3gaf s VAL 39 CO -0.02 -0.49 0.37 -0.69 0.00 0.00 0.00 175.10 174.28 3gaf s VAL 40 N 2.19 5.17 0.16 2.92 1.01 -0.15 -0.75 120.40 130.95 3gaf s VAL 40 Ca 0.12 0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.90 3gaf s VAL 40 Cb -0.18 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3gaf s VAL 40 CO 0.13 0.49 -0.12 0.42 0.00 0.00 0.00 175.10 176.02 3gaf s THR 41 N -0.37 1.35 0.02 3.92 -4.23 -0.21 -1.07 115.64 115.06 3gaf s THR 41 Ca 0.22 -2.10 -0.28 0.00 -1.18 0.00 0.00 61.69 58.35 3gaf s THR 41 Cb -0.15 -1.90 0.10 0.00 1.34 0.00 0.00 72.50 71.89 3gaf s THR 41 CO 0.10 -0.69 0.91 -0.62 -0.54 0.00 0.00 174.62 173.78 3gaf s ASP 42 N -3.19 -0.32 0.15 3.99 -1.08 -0.95 -0.42 116.67 114.86 3gaf s ASP 42 Ca 0.18 -0.08 -0.16 0.00 -0.52 0.00 0.00 52.55 51.98 3gaf s ASP 42 Cb 0.01 0.39 0.05 0.00 -1.46 0.00 0.00 42.92 41.92 3gaf s ASP 42 CO 0.03 -0.66 1.77 -0.07 0.52 0.00 0.00 175.17 176.76 3gaf h LEU 43 N 2.00 0.23 -8.62 -1.34 3.38 -1.87 1.06 115.31 110.16 3gaf h LEU 43 Ca -0.22 0.02 -0.64 0.00 0.09 0.00 0.00 57.88 57.13 3gaf h LEU 43 Cb 1.24 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 3gaf h LEU 43 CO 0.30 0.17 0.20 -0.54 0.09 0.00 0.00 178.44 178.66 3gaf s LYS 44 N -6.16 3.35 0.42 1.13 1.02 -1.26 -4.43 119.74 113.80 3gaf s LYS 44 Ca -0.13 -0.26 0.13 0.00 0.02 0.00 0.00 55.97 55.73 3gaf s LYS 44 Cb 0.12 -3.94 1.00 0.00 -0.52 0.00 0.00 37.83 34.49 3gaf s LYS 44 CO 0.71 -1.02 1.95 0.66 -0.92 0.00 0.00 175.35 176.73 3gaf h SER 45 N 8.88 0.42 -0.42 2.83 4.64 -1.84 -2.18 113.55 125.87 3gaf h SER 45 Ca -0.25 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 3gaf h SER 45 Cb 1.09 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3gaf h SER 45 CO 0.91 0.24 0.22 -0.33 -0.87 0.00 0.00 176.83 177.00 3gaf h GLU 46 N 0.46 0.60 -0.35 4.77 3.07 -1.94 -0.98 114.58 120.21 3gaf h GLU 46 Ca 0.32 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3gaf h GLU 46 Cb 0.64 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3gaf h GLU 46 CO -0.10 0.50 0.22 0.78 -1.40 0.00 0.00 179.01 179.01 3gaf h GLY 47 N 0.55 0.50 1.04 -3.84 0.00 -1.80 -1.48 103.07 98.04 3gaf h GLY 47 Ca 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3gaf h GLY 47 CO -0.02 0.19 0.24 0.00 0.00 0.00 0.00 176.54 176.95 3gaf h ALA 48 N 1.11 0.93 -0.21 3.60 0.00 -1.33 -2.87 119.26 120.48 3gaf h ALA 48 Ca 0.13 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 3gaf h ALA 48 Cb -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.50 3gaf h ALA 48 CO -0.03 0.59 -0.65 0.93 0.00 0.00 0.00 179.25 180.10 3gaf h GLU 49 N 1.04 0.81 -0.02 0.00 5.08 -1.07 -2.53 114.58 117.89 3gaf h GLU 49 Ca 0.23 -0.59 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 3gaf h GLU 49 Cb 0.27 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 3gaf h GLU 49 CO -0.01 1.21 -0.52 0.00 -1.00 0.00 0.00 179.01 178.69 3gaf h ALA 50 N 0.60 -0.88 -0.82 3.43 0.00 -1.28 0.22 119.26 120.53 3gaf h ALA 50 Ca -0.02 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.96 3gaf h ALA 50 Cb 1.27 0.92 -0.09 0.00 0.00 0.00 0.00 17.79 19.89 3gaf h ALA 50 CO 0.14 -1.08 0.40 0.28 0.00 0.00 0.00 179.25 178.99 3gaf h VAL 51 N -0.65 0.72 -0.19 0.00 2.07 -1.51 -1.30 116.25 115.40 3gaf h VAL 51 Ca 0.02 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3gaf h VAL 51 Cb 0.71 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3gaf h VAL 51 CO -0.36 0.11 -0.30 0.00 0.02 0.00 0.00 177.57 177.03 3gaf h ALA 52 N 1.55 1.13 -0.41 1.67 0.00 -1.22 -2.19 119.26 119.80 3gaf h ALA 52 Ca 0.45 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3gaf h ALA 52 Cb 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3gaf h ALA 52 CO -0.37 0.55 -0.02 0.00 0.00 0.00 0.00 179.25 179.41 3gaf h ALA 53 N 1.36 0.55 -0.12 0.00 0.00 0.13 -1.36 119.26 119.82 3gaf h ALA 53 Ca 0.04 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3gaf h ALA 53 Cb 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3gaf h ALA 53 CO 0.05 0.36 -0.20 0.00 0.00 0.00 0.00 179.25 179.46 3gaf h ALA 54 N 0.88 1.45 -0.26 0.00 0.00 -1.19 0.19 119.26 120.33 3gaf h ALA 54 Ca 0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3gaf h ALA 54 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3gaf h ALA 54 CO 0.03 0.39 -0.02 0.82 0.00 0.00 0.00 179.25 180.47 3gaf h ILE 55 N 0.19 1.27 -0.49 0.00 2.04 -1.14 -2.67 117.51 116.71 3gaf h ILE 55 Ca 0.03 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3gaf h ILE 55 Cb 0.46 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3gaf h ILE 55 CO 0.03 0.30 0.19 0.03 0.00 0.00 0.00 178.15 178.70 3gaf h ARG 56 N 0.24 0.74 -1.00 2.37 3.08 -0.71 -0.79 114.38 118.30 3gaf h ARG 56 Ca 0.07 -0.14 0.23 0.00 0.07 0.00 0.00 59.98 60.22 3gaf h ARG 56 Cb 0.46 -0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.27 3gaf h ARG 56 CO 0.02 0.66 0.60 1.96 -1.07 0.00 0.00 179.97 182.13 3gaf h GLN 57 N 0.65 0.60 -0.21 0.04 4.20 -0.61 -1.70 115.11 118.08 3gaf h GLN 57 Ca 0.16 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3gaf h GLN 57 Cb 0.21 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3gaf h GLN 57 CO -0.01 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.54 3gaf n ALA 58 N -2.32 2.50 -0.19 3.87 0.00 -1.01 -4.88 120.51 118.49 3gaf n ALA 58 Ca 0.26 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3gaf n ALA 58 Cb 0.71 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 1.05 0.90 3.85 0.00 0.00 -0.64 -5.09 105.19 105.27 3gaf n GLY 59 Ca 0.14 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.19 2.09 3.27 -0.02 0.00 -0.33 -5.01 105.19 102.99 3gaf n GLY 60 Ca 0.00 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.45 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 -4.54 3.24 -0.15 1.61 1.02 -1.26 -4.12 119.74 115.53 3gaf s LYS 61 Ca 0.56 -0.73 -0.28 0.00 0.02 0.00 0.00 55.97 55.54 3gaf s LYS 61 Cb -0.04 -2.69 0.07 0.00 -0.52 0.00 0.00 37.83 34.65 3gaf s LYS 61 CO 0.35 -0.03 0.72 0.00 -0.92 0.00 0.00 175.35 175.47 3gaf s ALA 62 N 0.95 -1.79 0.24 5.17 0.00 -1.26 -0.63 121.76 124.45 3gaf s ALA 62 Ca -0.02 1.64 0.10 0.00 0.00 0.00 0.00 51.96 53.67 3gaf s ALA 62 Cb -0.15 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 3gaf s ALA 62 CO -0.02 -0.35 -0.16 0.96 0.00 0.00 0.00 175.76 176.19 3gaf s ILE 63 N -0.50 2.06 -0.06 0.00 -4.36 -0.77 -4.87 121.20 112.70 3gaf s ILE 63 Ca -0.06 -2.29 0.05 0.00 -0.26 0.00 0.00 60.65 58.09 3gaf s ILE 63 Cb -0.02 -2.18 -0.01 0.00 1.25 0.00 0.00 42.46 41.50 3gaf s ILE 63 CO 0.05 -0.49 -0.22 -0.83 0.24 0.00 0.00 174.94 173.69 3gaf s GLY 64 N -3.41 1.16 0.06 6.27 0.00 -1.26 -0.97 107.32 109.17 3gaf s GLY 64 Ca 0.26 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 44.13 3gaf s GLY 64 CO 0.11 -0.47 -0.13 1.08 0.00 0.00 0.00 173.10 173.69 3gaf s LEU 65 N 0.03 2.26 0.15 0.66 1.43 -0.23 -4.66 118.68 118.31 3gaf s LEU 65 Ca -0.07 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 3gaf s LEU 65 Cb -0.14 -0.47 -0.07 0.00 0.03 0.00 0.00 46.19 45.54 3gaf s LEU 65 CO 0.04 -0.08 1.06 -0.70 0.23 0.00 0.00 176.35 176.90 3gaf s GLU 66 N -1.62 4.62 -0.26 1.70 2.12 -1.26 -2.25 118.70 121.75 3gaf s GLU 66 Ca -0.03 1.62 -0.03 0.00 0.36 0.00 0.00 54.97 56.90 3gaf s GLU 66 Cb -0.10 -3.32 0.15 0.00 0.26 0.00 0.00 34.13 31.13 3gaf s GLU 66 CO 0.02 0.11 0.48 0.00 -0.54 0.00 0.00 175.26 175.33 3gaf s ASN 68 N 2.69 6.53 0.45 0.00 3.84 -1.26 -3.21 114.94 123.98 3gaf s ASN 68 Ca 0.13 0.21 0.31 0.00 0.21 0.00 0.00 52.86 53.72 3gaf s ASN 68 Cb -0.15 -2.50 1.52 0.00 -0.55 0.00 0.00 41.25 39.57 3gaf s ASN 68 CO -0.18 -1.19 1.93 -0.37 -2.79 0.00 0.00 177.10 174.51 3gaf h VAL 69 N 6.15 0.00 -0.00 -5.21 -1.51 -1.96 -1.79 116.25 111.92 3gaf h VAL 69 Ca -0.24 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3gaf h VAL 69 Cb 1.07 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 3gaf h VAL 69 CO 1.09 0.00 -0.05 0.35 -1.23 0.00 0.00 177.57 177.73 3gaf n THR 70 N -2.63 0.00 -3.51 7.19 -2.24 -1.26 -4.63 114.28 107.19 3gaf n THR 70 Ca -0.01 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 3gaf n THR 70 Cb 0.14 -0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 67.88 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 -2.69 6.09 0.29 3.42 -1.08 -0.67 -4.99 116.67 117.03 3gaf s ASP 71 Ca 0.24 -0.09 -0.00 0.00 -0.52 0.00 0.00 52.55 52.17 3gaf s ASP 71 Cb 0.20 -2.15 0.48 0.00 -1.46 0.00 0.00 42.92 39.99 3gaf s ASP 71 CO 0.50 -0.16 1.90 -0.08 0.52 0.00 0.00 175.17 177.84 3gaf h GLU 72 N 8.38 1.06 -0.32 4.34 4.57 -1.87 -0.33 114.58 130.41 3gaf h GLU 72 Ca -0.33 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 57.68 3gaf h GLU 72 Cb 1.17 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 3gaf h GLU 72 CO 0.61 0.70 -0.23 1.96 -1.18 0.00 0.00 179.01 180.86 3gaf h GLN 73 N 1.09 0.72 -0.10 1.92 7.50 -1.94 -1.30 115.11 123.00 3gaf h GLN 73 Ca 0.41 -0.35 0.02 0.00 0.50 0.00 0.00 58.65 59.23 3gaf h GLN 73 Cb 0.19 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 3gaf h GLN 73 CO -0.16 0.96 -0.01 0.45 -1.50 0.00 0.00 178.83 178.57 3gaf h HIS 74 N 0.48 -0.03 -0.60 2.96 3.86 -1.71 -1.36 115.15 118.75 3gaf h HIS 74 Ca 0.06 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.37 3gaf h HIS 74 Cb 0.79 0.03 -0.07 0.00 1.06 0.00 0.00 27.41 29.21 3gaf h HIS 74 CO 0.07 -0.03 0.22 0.00 0.86 0.00 0.00 177.93 179.04 3gaf h ARG 75 N 0.02 0.38 -0.02 2.45 3.08 -0.98 -2.10 114.38 117.21 3gaf h ARG 75 Ca 0.05 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3gaf h ARG 75 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3gaf h ARG 75 CO -0.09 0.25 -0.44 0.93 -1.07 0.00 0.00 179.97 179.55 3gaf h GLU 76 N 0.39 0.05 -0.45 0.04 5.08 -1.07 -2.92 114.58 115.69 3gaf h GLU 76 Ca 0.30 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 3gaf h GLU 76 Cb 0.38 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3gaf h GLU 76 CO -0.31 0.48 -0.20 0.00 -1.00 0.00 0.00 179.01 177.98 3gaf h ALA 77 N 1.52 0.63 -0.35 3.43 0.00 -0.67 -2.35 119.26 121.47 3gaf h ALA 77 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3gaf h ALA 77 Cb 0.79 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3gaf h ALA 77 CO 0.06 0.60 0.18 0.28 0.00 0.00 0.00 179.25 180.37 3gaf h VAL 78 N 0.77 1.16 0.13 0.00 2.07 -1.36 0.11 116.25 119.13 3gaf h VAL 78 Ca 0.10 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3gaf h VAL 78 Cb 0.77 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3gaf h VAL 78 CO 0.06 0.16 -0.06 0.40 0.02 0.00 0.00 177.57 178.15 3gaf h ILE 79 N 0.44 0.90 -0.70 4.57 1.08 -1.51 -1.24 117.51 121.05 3gaf h ILE 79 Ca 0.12 -0.12 0.03 0.00 -0.39 0.00 0.00 64.86 64.51 3gaf h ILE 79 Cb 0.10 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 34.78 3gaf h ILE 79 CO -0.02 0.03 0.43 0.50 -0.69 0.00 0.00 178.15 178.41 3gaf h LYS 80 N -0.23 0.81 -0.71 2.37 3.64 -1.35 -2.35 116.57 118.75 3gaf h LYS 80 Ca -0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3gaf h LYS 80 Cb 0.18 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3gaf h LYS 80 CO 0.03 0.54 0.40 0.00 -2.27 0.00 0.00 179.45 178.15 3gaf h ALA 81 N 1.31 1.37 -0.35 5.00 0.00 -0.54 0.17 119.26 126.22 3gaf h ALA 81 Ca 0.29 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3gaf h ALA 81 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gaf h ALA 81 CO -0.12 0.53 -0.27 0.00 0.00 0.00 0.00 179.25 179.38 3gaf h ALA 82 N 1.46 0.50 -0.32 0.00 0.00 -0.86 0.04 119.26 120.08 3gaf h ALA 82 Ca 0.25 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3gaf h ALA 82 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gaf h ALA 82 CO -0.04 0.51 -0.41 -0.07 0.00 0.00 0.00 179.25 179.24 3gaf h LEU 83 N 0.58 0.91 0.15 0.00 3.38 -1.24 -0.56 115.31 118.54 3gaf h LEU 83 Ca 0.06 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.55 3gaf h LEU 83 Cb 0.85 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3gaf h LEU 83 CO 0.07 1.23 -0.21 0.44 0.09 0.00 0.00 178.44 180.06 3gaf h ASP 84 N 0.62 -0.57 -0.10 -0.43 3.32 -0.60 0.27 116.42 118.93 3gaf h ASP 84 Ca 0.04 0.06 -0.23 0.00 0.02 0.00 0.00 57.03 56.92 3gaf h ASP 84 Cb 1.01 0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.78 3gaf h ASP 84 CO 0.10 -0.30 -0.82 -0.61 -1.72 0.00 0.00 179.24 175.89 3gaf h GLN 85 N -0.42 0.76 0.00 3.56 5.75 -1.03 -3.39 115.11 120.35 3gaf h GLN 85 Ca 0.01 -0.65 0.00 0.00 -0.15 0.00 0.00 58.65 57.87 3gaf h GLN 85 Cb 0.42 0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.11 3gaf h GLN 85 CO -0.09 1.25 0.00 1.19 -2.65 0.00 0.00 178.83 178.53 3gaf n PHE 86 N -3.92 0.00 0.00 3.99 3.72 -0.22 -5.04 117.46 116.00 3gaf n PHE 86 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3gaf n PHE 86 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 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 0.55 2.88 3.82 1.37 0.00 0.94 -4.97 105.19 109.79 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 -0.39 1.63 -0.03 1.61 -2.85 -1.26 -4.91 119.74 113.54 3gaf s LYS 88 Ca 0.00 -0.97 -0.01 0.00 -1.00 0.00 0.00 55.97 53.99 3gaf s LYS 88 Cb 0.00 0.51 0.03 0.00 -2.06 0.00 0.00 37.83 36.30 3gaf s LYS 88 CO 0.00 -0.75 0.03 0.42 0.10 0.00 0.00 175.35 175.14 3gaf s ILE 89 N -3.00 0.05 0.00 3.79 1.01 -1.26 -4.51 121.20 117.28 3gaf s ILE 89 Ca 0.15 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3gaf s ILE 89 Cb -0.04 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.22 3gaf s ILE 89 CO 0.06 0.15 0.00 0.35 0.00 0.00 0.00 174.94 175.50 3gaf n THR 90 N 4.57 0.00 -3.89 2.92 -2.24 -0.43 -3.28 114.28 111.92 3gaf n THR 90 Ca -0.19 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 3gaf n THR 90 Cb 0.50 0.44 -0.15 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.70 0.06 -0.10 2.28 1.01 -0.43 -0.25 120.40 121.27 3gaf s VAL 91 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 3gaf s VAL 91 Cb 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.31 3gaf s VAL 91 CO 0.00 0.05 -0.06 -0.22 0.00 0.00 0.00 175.10 174.87 3gaf s LEU 92 N 0.31 1.09 -0.37 3.92 2.96 -0.44 -1.27 118.68 124.88 3gaf s LEU 92 Ca -0.03 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.55 3gaf s LEU 92 Cb -0.04 -0.75 0.05 0.00 0.50 0.00 0.00 46.19 45.95 3gaf s LEU 92 CO -0.01 -0.12 0.18 -0.69 -1.32 0.00 0.00 176.35 174.38 3gaf s VAL 93 N 1.69 4.08 -0.95 1.68 1.01 0.51 -0.63 120.40 127.79 3gaf s VAL 93 Ca 0.04 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 3gaf s VAL 93 Cb -0.13 -3.37 0.08 0.00 0.00 0.00 0.00 36.38 32.96 3gaf s VAL 93 CO -0.07 -0.30 1.31 0.20 0.00 0.00 0.00 175.10 176.24 3gaf s ASN 94 N 1.65 6.50 -0.10 3.32 0.01 0.27 -2.41 114.94 124.18 3gaf s ASN 94 Ca 0.01 -1.54 0.13 0.00 -0.71 0.00 0.00 52.86 50.75 3gaf s ASN 94 Cb -0.21 -2.51 -0.18 0.00 0.41 0.00 0.00 41.25 38.76 3gaf s ASN 94 CO 0.03 -1.39 0.12 -3.20 -1.51 0.00 0.00 177.10 171.15 3gaf n ASN 95 N 8.12 1.66 -4.73 -1.22 5.15 -1.25 -0.84 115.26 122.15 3gaf n ASN 95 Ca 0.26 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.82 3gaf n ASN 95 Cb 0.50 1.06 -0.01 0.00 -0.53 0.00 0.00 39.78 40.80 3gaf n ASN 95 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gaf n ALA 96 N -2.37 1.97 -3.39 5.20 0.00 -1.20 -4.85 120.51 115.87 3gaf n ALA 96 Ca -0.17 0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.72 3gaf n ALA 96 Cb 0.79 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3gaf n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaf n GLY 97 N 1.57 0.27 0.00 0.00 0.00 -1.26 -4.86 105.19 100.92 3gaf n GLY 97 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.37 -1.26 0.00 -0.02 0.00 -1.26 -5.01 105.19 97.27 3gaf n GLY 98 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.54 0.00 -0.02 0.00 -1.26 -4.81 105.19 96.56 3gaf n GLY 99 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.13 -0.75 3.76 -0.02 0.00 -1.26 -5.10 105.19 101.69 3gaf n GLY 100 Ca 0.00 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 3gaf n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gaf s PRO 101 N -0.74 4.12 0.02 1.61 0.02 -1.26 -4.58 135.00 134.19 3gaf s PRO 101 Ca 0.00 2.57 -0.00 0.00 0.02 0.00 0.00 61.00 63.59 3gaf s PRO 101 Cb 0.00 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 3gaf s PRO 101 CO 0.00 -0.60 -0.02 0.15 -0.33 0.00 0.00 177.00 176.21 3gaf s LYS 102 N -1.01 0.30 0.67 5.54 -0.14 -0.65 -5.05 119.74 119.39 3gaf s LYS 102 Ca 0.60 -0.55 -0.15 0.00 -1.36 0.00 0.00 55.97 54.51 3gaf s LYS 102 Cb -0.47 0.11 0.00 0.00 -1.68 0.00 0.00 37.83 35.79 3gaf s LYS 102 CO 0.53 -0.05 1.12 -1.25 -0.76 0.00 0.00 175.35 174.94 3gaf s PRO 103 N -1.34 2.71 0.32 -1.68 0.04 -1.26 -4.31 135.00 129.48 3gaf s PRO 103 Ca -0.15 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.38 3gaf s PRO 103 Cb -0.09 -1.93 0.64 0.00 0.04 0.00 0.00 34.50 33.16 3gaf s PRO 103 CO -0.01 -1.33 1.89 0.35 0.04 0.00 0.00 177.00 177.94 3gaf h PHE 104 N 0.00 0.97 -0.19 0.56 3.57 -2.01 -2.02 116.94 117.83 3gaf h PHE 104 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3gaf h PHE 104 Cb 1.25 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3gaf h PHE 104 CO 0.53 0.44 0.00 -0.40 -2.23 0.00 0.00 178.31 176.65 3gaf n ASP 105 N -4.54 1.57 -4.42 0.41 5.68 -1.26 -4.96 116.55 109.03 3gaf n ASP 105 Ca 0.15 -2.10 -0.40 0.00 -0.50 0.00 0.00 54.79 51.95 3gaf n ASP 105 Cb 0.31 -0.30 0.02 0.00 -1.14 0.00 0.00 41.12 40.01 3gaf n ASP 105 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 3gaf n MET 106 N 0.13 0.44 -1.74 0.11 0.00 -0.76 -4.91 117.12 110.39 3gaf n MET 106 Ca 0.07 0.17 -0.39 0.00 0.00 0.00 0.00 57.70 57.55 3gaf n MET 106 Cb 0.30 -1.47 0.04 0.00 0.00 0.00 0.00 33.22 32.09 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 0.55 1.76 0.09 3.17 -0.04 -1.26 -4.87 135.00 134.39 3gaf n PRO 107 Ca 0.11 0.64 0.10 0.00 -0.04 0.00 0.00 63.50 64.31 3gaf n PRO 107 Cb 0.43 -2.57 0.57 0.00 -0.04 0.00 0.00 33.50 31.90 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 1.55 0.20 -0.78 0.54 2.86 -2.00 -0.50 114.93 116.81 3gaf h MET 108 Ca -0.51 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.18 3gaf h MET 108 Cb 1.30 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.87 3gaf h MET 108 CO 0.57 0.13 0.51 0.66 1.06 0.00 0.00 176.91 179.85 3gaf h SER 109 N 0.21 0.76 0.03 1.22 4.64 -1.99 0.14 113.55 118.55 3gaf h SER 109 Ca 0.14 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3gaf h SER 109 Cb 0.28 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3gaf h SER 109 CO -0.02 0.50 -0.01 0.44 -0.87 0.00 0.00 176.83 176.86 3gaf h ASP 110 N 0.87 -0.03 -0.27 4.97 5.19 -1.45 -1.82 116.42 123.87 3gaf h ASP 110 Ca 0.33 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 3gaf h ASP 110 Cb 0.19 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 3gaf h ASP 110 CO -0.11 0.15 0.12 0.15 -3.12 0.00 0.00 179.24 176.44 3gaf h PHE 111 N -0.22 0.40 -0.69 4.55 3.57 -1.15 -2.76 116.94 120.64 3gaf h PHE 111 Ca -0.00 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 3gaf h PHE 111 Cb 0.20 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3gaf h PHE 111 CO -0.01 0.38 0.12 0.93 -2.23 0.00 0.00 178.31 177.50 3gaf h GLU 112 N 0.29 1.13 -0.71 1.11 5.08 -0.81 -2.94 114.58 117.73 3gaf h GLU 112 Ca 0.09 -0.30 0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3gaf h GLU 112 Cb 0.14 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3gaf h GLU 112 CO -0.01 1.02 0.47 2.35 -1.00 0.00 0.00 179.01 181.84 3gaf h TRP 113 N 1.06 0.75 -0.03 4.33 2.91 -1.15 -1.51 115.95 122.31 3gaf h TRP 113 Ca 0.21 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.21 3gaf h TRP 113 Cb 0.43 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 3gaf h TRP 113 CO 0.03 0.40 -0.17 0.00 -1.03 0.00 0.00 178.44 177.67 3gaf h ALA 114 N 1.61 1.66 0.18 2.65 0.00 -1.30 -0.12 119.26 123.94 3gaf h ALA 114 Ca 0.30 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.74 3gaf h ALA 114 Cb 0.25 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.01 3gaf h ALA 114 CO -0.10 0.25 -1.34 0.74 0.00 0.00 0.00 179.25 178.81 3gaf h PHE 115 N 0.05 0.74 0.18 0.00 0.04 -1.37 -1.42 116.94 115.15 3gaf h PHE 115 Ca 0.01 -0.53 -0.01 0.00 2.80 0.00 0.00 57.97 60.24 3gaf h PHE 115 Cb 0.33 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3gaf h PHE 115 CO 0.00 1.41 -0.09 0.87 -0.60 0.00 0.00 178.31 179.90 3gaf h LYS 116 N 0.12 -0.23 0.43 1.51 1.79 -0.73 0.67 116.57 120.13 3gaf h LYS 116 Ca -0.19 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 3gaf h LYS 116 Cb 2.04 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.75 3gaf h LYS 116 CO 0.24 -0.10 -0.21 1.25 -1.08 0.00 0.00 179.45 179.55 3gaf h LEU 117 N -0.30 -0.49 0.00 2.94 5.85 -1.16 -2.74 115.31 119.41 3gaf h LEU 117 Ca -0.02 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3gaf h LEU 117 Cb 0.23 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3gaf h LEU 117 CO 0.04 -0.20 -0.59 0.78 -0.34 0.00 0.00 178.44 178.13 3gaf h ASN 118 N -0.77 0.00 0.00 1.25 2.35 -1.31 -3.41 115.58 113.68 3gaf h ASN 118 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3gaf h ASN 118 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3gaf h ASN 118 CO 0.10 0.40 -0.54 -0.11 -1.65 0.00 0.00 177.43 175.62 3gaf n LEU 119 N -3.12 0.16 -0.07 1.61 7.94 -0.22 -4.68 117.00 118.63 3gaf n LEU 119 Ca 0.00 0.06 -0.11 0.00 -1.11 0.00 0.00 56.01 54.85 3gaf n LEU 119 Cb 0.70 -0.02 -0.04 0.00 0.53 0.00 0.00 43.42 44.59 3gaf n LEU 119 CO 0.40 -0.29 0.81 -0.26 -1.11 0.00 0.00 177.39 176.93 3gaf h PHE 120 N 0.00 0.37 -0.29 1.96 0.04 -0.99 -2.08 116.94 115.95 3gaf h PHE 120 Ca 0.00 -0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.79 3gaf h PHE 120 Cb 0.54 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 38.50 3gaf h PHE 120 CO 0.00 0.47 -0.38 0.66 -0.60 0.00 0.00 178.31 178.46 3gaf h SER 121 N 0.16 -1.22 0.89 2.17 4.64 -1.72 -0.79 113.55 117.68 3gaf h SER 121 Ca 0.07 0.19 -0.07 0.00 -0.47 0.00 0.00 61.79 61.50 3gaf h SER 121 Cb 0.29 0.53 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 3gaf h SER 121 CO 0.00 -0.37 -0.35 0.17 -0.87 0.00 0.00 176.83 175.42 3gaf h LEU 122 N -0.36 0.00 -0.52 5.97 8.10 -1.81 -0.00 115.31 126.69 3gaf h LEU 122 Ca 0.13 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.02 3gaf h LEU 122 Cb 0.57 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.78 3gaf h LEU 122 CO -0.48 0.35 -0.04 0.15 -4.11 0.00 0.00 178.44 174.30 3gaf h PHE 123 N 0.00 1.04 0.04 0.17 3.57 -1.00 -2.12 116.94 118.64 3gaf h PHE 123 Ca -0.00 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 3gaf h PHE 123 Cb 0.89 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.36 3gaf h PHE 123 CO 0.00 0.97 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.95 3gaf h ARG 124 N 0.81 -0.05 -0.96 1.11 9.65 -0.48 -1.87 114.38 122.60 3gaf h ARG 124 Ca 0.14 0.00 0.23 0.00 -1.10 0.00 0.00 59.98 59.25 3gaf h ARG 124 Cb 0.59 0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 29.06 3gaf h ARG 124 CO 0.04 0.46 0.52 -0.07 2.80 0.00 0.00 179.97 183.71 3gaf h LEU 125 N -0.58 0.56 -0.60 3.80 4.07 -1.09 0.38 115.31 121.86 3gaf h LEU 125 Ca -0.00 0.14 -0.11 0.00 0.08 0.00 0.00 57.88 57.99 3gaf h LEU 125 Cb 0.52 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 3gaf h LEU 125 CO 0.01 0.09 -0.05 0.28 -1.08 0.00 0.00 178.44 177.69 3gaf h SER 126 N 0.54 1.05 -0.84 -0.43 0.02 -1.26 0.12 113.55 112.74 3gaf h SER 126 Ca 0.60 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 61.20 3gaf h SER 126 Cb 1.11 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 3gaf h SER 126 CO -0.48 1.13 0.41 1.56 -1.14 0.00 0.00 176.83 178.31 3gaf h GLN 127 N 0.96 1.21 -0.19 3.45 4.20 -0.35 -1.37 115.11 123.03 3gaf h GLN 127 Ca 0.16 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3gaf h GLN 127 Cb 0.61 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3gaf h GLN 127 CO 0.04 0.92 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.71 3gaf h LEU 128 N 1.20 0.62 -0.74 1.46 3.38 -0.63 -3.28 115.31 117.32 3gaf h LEU 128 Ca 0.29 -0.54 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 3gaf h LEU 128 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3gaf h LEU 128 CO -0.04 1.05 -0.46 0.00 0.09 0.00 0.00 178.44 179.08 3gaf h ALA 129 N 0.59 0.92 -0.52 1.53 0.00 -0.71 -3.37 119.26 117.69 3gaf h ALA 129 Ca 0.01 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.51 3gaf h ALA 129 Cb 0.93 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3gaf h ALA 129 CO 0.08 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.24 3gaf h ALA 130 N 1.20 0.67 -0.31 0.00 0.00 -1.31 -1.98 119.26 117.53 3gaf h ALA 130 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3gaf h ALA 130 Cb 0.94 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3gaf h ALA 130 CO 0.08 -0.08 0.07 -1.35 0.00 0.00 0.00 179.25 177.97 3gaf h PRO 131 N 0.52 0.44 -0.36 0.00 0.11 -1.75 -0.53 132.00 130.42 3gaf h PRO 131 Ca 0.23 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 3gaf h PRO 131 Cb 0.14 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3gaf h PRO 131 CO -0.16 0.41 -0.18 0.45 -0.21 0.00 0.00 178.00 178.31 3gaf h HIS 132 N 0.44 0.88 -0.72 0.65 3.86 -1.64 -1.98 115.15 116.63 3gaf h HIS 132 Ca 0.10 -0.22 -0.06 0.00 -1.16 0.00 0.00 60.37 59.03 3gaf h HIS 132 Cb 0.18 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 3gaf h HIS 132 CO 0.01 0.96 0.20 0.52 0.86 0.00 0.00 177.93 180.47 3gaf h MET 133 N 0.56 1.14 -0.74 2.45 2.86 -0.87 -0.29 114.93 120.03 3gaf h MET 133 Ca 0.08 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.50 3gaf h MET 133 Cb 0.73 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 3gaf h MET 133 CO 0.05 0.99 0.49 0.37 1.06 0.00 0.00 176.91 179.87 3gaf h GLN 134 N 1.08 0.86 -0.20 1.72 4.15 -1.02 -0.84 115.11 120.87 3gaf h GLN 134 Ca 0.23 -0.05 -0.18 0.00 0.77 0.00 0.00 58.65 59.41 3gaf h GLN 134 Cb 0.34 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 3gaf h GLN 134 CO -0.00 0.57 -0.61 -0.22 -1.93 0.00 0.00 178.83 176.64 3gaf h LYS 135 N 0.89 0.69 -0.18 1.69 3.64 -0.53 -3.05 116.57 119.71 3gaf h LYS 135 Ca 0.30 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3gaf h LYS 135 Cb 0.08 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3gaf h LYS 135 CO -0.09 1.09 0.00 0.00 -2.27 0.00 0.00 179.45 178.18 3gaf n ALA 136 N -2.55 2.35 -0.91 5.00 0.00 -0.20 -4.84 120.51 119.35 3gaf n ALA 136 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3gaf n ALA 136 Cb 0.65 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 0.30 0.56 0.00 0.00 0.00 -1.13 -4.93 105.19 99.99 3gaf n GLY 137 Ca 0.00 0.00 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 -2.88 3.65 3.86 -0.02 0.00 -0.35 -4.95 105.19 104.50 3gaf n GLY 138 Ca 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.51 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 0.24 -0.02 -0.02 0.00 -0.32 -4.66 107.32 102.53 3gaf s GLY 139 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 44.72 44.19 3gaf s GLY 139 CO 0.00 1.58 0.04 0.00 0.00 0.00 0.00 173.10 174.72 3gaf s ALA 140 N -2.13 0.02 -0.09 3.20 0.00 0.66 -1.68 121.76 121.74 3gaf s ALA 140 Ca 0.20 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.48 3gaf s ALA 140 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 3gaf s ALA 140 CO 0.08 -0.10 -0.11 0.42 0.00 0.00 0.00 175.76 176.05 3gaf s ILE 141 N 0.90 3.34 -0.11 0.00 1.01 0.16 -1.32 121.20 125.18 3gaf s ILE 141 Ca -0.07 -0.60 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 3gaf s ILE 141 Cb -0.11 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 40.02 3gaf s ILE 141 CO -0.03 0.56 -0.09 -0.22 0.00 0.00 0.00 174.94 175.17 3gaf s LEU 142 N -0.34 1.29 -0.15 2.97 2.96 0.20 -1.43 118.68 124.17 3gaf s LEU 142 Ca 0.04 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.52 3gaf s LEU 142 Cb -0.13 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 3gaf s LEU 142 CO 0.02 -0.09 0.21 0.20 -1.32 0.00 0.00 176.35 175.37 3gaf s ASN 143 N 1.56 6.38 -0.59 3.68 0.01 0.10 -0.57 114.94 125.51 3gaf s ASN 143 Ca 0.03 0.44 -0.22 0.00 -0.71 0.00 0.00 52.86 52.40 3gaf s ASN 143 Cb -0.13 -2.13 0.07 0.00 0.41 0.00 0.00 41.25 39.47 3gaf s ASN 143 CO -0.07 0.23 0.85 -0.63 -1.51 0.00 0.00 177.10 175.96 3gaf s ILE 144 N -0.08 4.53 0.00 0.60 -1.09 -0.02 -1.46 121.20 123.68 3gaf s ILE 144 Ca 0.14 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 3gaf s ILE 144 Cb -0.12 -4.54 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 3gaf s ILE 144 CO 0.03 -1.20 0.00 -0.24 -1.23 0.00 0.00 174.94 172.30 3gaf n SER 145 N 7.12 0.00 -3.51 3.58 2.88 0.52 -4.86 113.62 119.35 3gaf n SER 145 Ca -0.04 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.39 3gaf n SER 145 Cb 0.45 0.00 -0.03 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 -0.43 0.46 -3.46 0.15 -1.26 -4.58 113.70 103.58 3gaf s SER 146 Ca 0.00 -0.14 0.25 0.00 0.70 0.00 0.00 55.95 56.76 3gaf s SER 146 Cb 0.00 0.55 1.07 0.00 -1.71 0.00 0.00 66.02 65.93 3gaf s SER 146 CO 0.00 -0.92 1.90 0.24 1.20 0.00 0.00 173.24 175.65 3gaf h MET 147 N 2.15 0.00 -0.23 5.44 2.86 -1.85 -2.54 114.93 120.76 3gaf h MET 147 Ca -0.34 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.37 3gaf h MET 147 Cb 1.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 3gaf h MET 147 CO 0.42 0.20 0.33 0.00 1.06 0.00 0.00 176.91 178.92 3gaf h ALA 148 N 1.80 1.80 0.00 6.32 0.00 -1.93 0.95 119.26 128.19 3gaf h ALA 148 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gaf h ALA 148 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gaf h ALA 148 CO 0.03 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.23 3gaf n GLY 149 N -1.38 -1.05 0.00 0.00 0.00 -0.96 -3.69 105.19 98.11 3gaf n GLY 149 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gaf n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gaf n GLU 150 N -1.63 2.40 -1.97 1.61 0.00 -0.59 -4.03 120.64 116.43 3gaf n GLU 150 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.90 3gaf n GLU 150 Cb 0.18 -0.76 0.06 0.00 0.00 0.00 0.00 31.44 30.92 3gaf n GLU 150 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3gaf s ASN 151 N -1.65 5.07 -0.01 -1.84 0.01 0.23 -5.09 114.94 111.65 3gaf s ASN 151 Ca 0.00 0.90 0.03 0.00 -0.71 0.00 0.00 52.86 53.08 3gaf s ASN 151 Cb 0.00 -1.59 -0.00 0.00 0.41 0.00 0.00 41.25 40.06 3gaf s ASN 151 CO 0.00 -1.54 -0.09 0.42 -1.51 0.00 0.00 177.10 174.38 3gaf s THR 152 N -3.39 0.75 0.15 1.60 -4.23 -1.26 -4.78 115.64 104.48 3gaf s THR 152 Ca 0.59 -0.38 -0.24 0.00 -1.18 0.00 0.00 61.69 60.48 3gaf s THR 152 Cb -0.11 -0.64 0.07 0.00 1.34 0.00 0.00 72.50 73.16 3gaf s THR 152 CO 0.49 0.22 1.03 0.21 -0.54 0.00 0.00 174.62 176.03 3gaf s ASN 153 N -0.06 -0.08 0.53 3.99 3.84 -1.26 -5.15 114.94 116.76 3gaf s ASN 153 Ca 0.01 -0.51 -0.20 0.00 0.21 0.00 0.00 52.86 52.37 3gaf s ASN 153 Cb -0.05 0.46 -0.06 0.00 -0.55 0.00 0.00 41.25 41.05 3gaf s ASN 153 CO -0.00 -0.89 1.13 0.54 -2.79 0.00 0.00 177.10 175.09 3gaf s VAL 154 N -2.68 3.16 -1.26 -5.21 0.11 -1.26 -3.86 120.40 109.40 3gaf s VAL 154 Ca 0.17 0.74 -0.00 0.00 -2.93 0.00 0.00 61.98 59.96 3gaf s VAL 154 Cb -0.01 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 3gaf s VAL 154 CO 0.03 -0.14 0.02 0.54 -3.33 0.00 0.00 175.10 172.22 3gaf n ARG 155 N -1.21 -1.26 -0.18 1.54 1.74 -1.26 -4.89 116.66 111.14 3gaf n ARG 155 Ca 0.11 0.71 0.07 0.00 -0.77 0.00 0.00 57.85 57.98 3gaf n ARG 155 Cb 0.51 -5.03 0.10 0.00 -1.02 0.00 0.00 32.46 27.02 3gaf n ARG 155 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3gaf n MET 156 N -2.44 0.97 0.16 5.56 1.56 -1.25 -1.64 117.12 120.04 3gaf n MET 156 Ca -0.17 -2.16 -0.14 0.00 -0.27 0.00 0.00 57.70 54.96 3gaf n MET 156 Cb 0.63 -1.24 -0.07 0.00 2.15 0.00 0.00 33.22 34.69 3gaf n MET 156 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3gaf h ALA 157 N 0.00 -0.38 0.10 -5.12 0.00 -1.87 0.19 119.26 112.19 3gaf h ALA 157 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3gaf h ALA 157 Cb 1.10 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3gaf h ALA 157 CO 0.00 -0.72 -0.70 0.66 0.00 0.00 0.00 179.25 178.49 3gaf h SER 158 N -0.39 0.33 0.47 0.00 4.64 -1.91 -3.18 113.55 113.51 3gaf h SER 158 Ca -0.02 -0.94 -0.02 0.00 -0.47 0.00 0.00 61.79 60.33 3gaf h SER 158 Cb 0.33 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3gaf h SER 158 CO 0.02 1.33 -0.23 0.22 -0.87 0.00 0.00 176.83 177.30 3gaf h TYR 159 N -0.54 -0.59 -0.34 4.77 3.20 -1.81 -2.06 116.97 119.61 3gaf h TYR 159 Ca -0.13 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 3gaf h TYR 159 Cb 1.49 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.94 3gaf h TYR 159 CO 0.21 -0.31 0.20 0.78 -1.64 0.00 0.00 178.16 177.40 3gaf h GLY 160 N -0.75 0.50 1.45 1.82 0.00 -0.81 -1.86 103.07 103.42 3gaf h GLY 160 Ca -0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 3gaf h GLY 160 CO 0.11 0.20 -0.33 1.48 0.00 0.00 0.00 176.54 178.00 3gaf h SER 161 N 0.44 0.64 -0.66 0.19 4.64 -1.60 -0.25 113.55 116.96 3gaf h SER 161 Ca 0.12 -0.26 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 3gaf h SER 161 Cb 0.02 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 3gaf h SER 161 CO -0.02 0.92 0.21 0.77 -0.87 0.00 0.00 176.83 177.84 3gaf h SER 162 N 0.53 0.95 0.08 4.97 4.64 -1.27 -1.27 113.55 122.18 3gaf h SER 162 Ca 0.06 -0.20 -0.14 0.00 -0.47 0.00 0.00 61.79 61.03 3gaf h SER 162 Cb 0.82 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3gaf h SER 162 CO 0.07 0.90 -0.49 0.11 -0.87 0.00 0.00 176.83 176.55 3gaf h LYS 163 N 0.95 0.47 -0.88 4.77 1.79 -1.12 -1.66 116.57 120.89 3gaf h LYS 163 Ca 0.21 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3gaf h LYS 163 Cb 0.29 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 3gaf h LYS 163 CO -0.01 0.86 0.57 0.00 -1.08 0.00 0.00 179.45 179.79 3gaf h ALA 164 N 1.10 1.35 -0.51 3.86 0.00 -0.88 -0.69 119.26 123.48 3gaf h ALA 164 Ca 0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3gaf h ALA 164 Cb 1.00 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3gaf h ALA 164 CO 0.09 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.95 3gaf h ALA 165 N 1.43 0.69 -0.32 0.00 0.00 -0.99 -0.81 119.26 119.26 3gaf h ALA 165 Ca 0.32 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3gaf h ALA 165 Cb -0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3gaf h ALA 165 CO -0.07 0.49 0.08 0.28 0.00 0.00 0.00 179.25 180.03 3gaf h VAL 166 N 0.76 0.87 -0.38 0.00 2.07 -0.95 0.57 116.25 119.19 3gaf h VAL 166 Ca 0.15 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.63 3gaf h VAL 166 Cb 0.50 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3gaf h VAL 166 CO 0.02 0.04 0.17 0.78 0.02 0.00 0.00 177.57 178.60 3gaf h ASN 167 N 0.21 0.23 1.07 0.57 -0.26 -0.88 -1.86 115.58 114.65 3gaf h ASN 167 Ca 0.15 0.03 -0.20 0.00 -0.56 0.00 0.00 56.30 55.72 3gaf h ASN 167 Cb 0.15 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.37 3gaf h ASN 167 CO -0.18 0.17 -0.93 -0.74 -1.06 0.00 0.00 177.43 174.69 3gaf h HIS 168 N 0.35 0.00 -0.27 1.19 2.76 -0.79 -2.87 115.15 115.53 3gaf h HIS 168 Ca 0.16 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.40 3gaf h HIS 168 Cb 0.10 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 28.99 3gaf h HIS 168 CO -0.12 0.93 -0.17 1.25 -1.30 0.00 0.00 177.93 178.52 3gaf h LEU 169 N 0.00 -0.57 -0.51 0.26 5.85 0.25 -2.22 115.31 118.37 3gaf h LEU 169 Ca -0.01 0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.93 3gaf h LEU 169 Cb 1.72 0.29 -0.10 0.00 0.37 0.00 0.00 40.66 42.94 3gaf h LEU 169 CO 0.12 -0.21 -0.24 0.74 -0.34 0.00 0.00 178.44 178.51 3gaf h THR 170 N -0.15 0.31 -0.78 1.05 2.02 -1.28 -0.44 112.91 113.64 3gaf h THR 170 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 3gaf h THR 170 Cb 0.37 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3gaf h THR 170 CO -0.36 0.00 0.41 0.03 0.37 0.00 0.00 175.52 175.97 3gaf h ARG 171 N -0.12 1.09 0.00 6.66 3.08 -1.26 -3.00 114.38 120.82 3gaf h ARG 171 Ca 0.23 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3gaf h ARG 171 Cb 0.49 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3gaf h ARG 171 CO -0.59 0.81 -0.00 -0.91 -1.07 0.00 0.00 179.97 178.21 3gaf h ASN 172 N 1.09 -0.00 0.56 7.04 2.35 -0.70 -3.32 115.58 122.60 3gaf h ASN 172 Ca 0.27 -0.88 -0.00 0.00 -0.55 0.00 0.00 56.30 55.14 3gaf h ASN 172 Cb 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3gaf h ASN 172 CO -0.04 0.90 -0.01 0.16 -1.65 0.00 0.00 177.43 176.79 3gaf h ILE 173 N -0.93 0.03 -0.95 2.81 3.07 -1.23 0.40 117.51 120.71 3gaf h ILE 173 Ca -0.00 -0.30 0.19 0.00 1.55 0.00 0.00 64.86 66.30 3gaf h ILE 173 Cb 0.88 1.29 -0.08 0.00 -0.27 0.00 0.00 36.82 38.64 3gaf h ILE 173 CO 0.00 0.01 0.61 0.00 -1.05 0.00 0.00 178.15 177.72 3gaf h ALA 174 N 1.99 1.94 -0.35 0.16 0.00 -1.62 0.56 119.26 121.95 3gaf h ALA 174 Ca -0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3gaf h ALA 174 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3gaf h ALA 174 CO 0.00 -0.26 -0.05 0.74 0.00 0.00 0.00 179.25 179.69 3gaf h PHE 175 N 0.60 0.72 -0.41 0.00 -1.00 -1.05 -2.11 116.94 113.69 3gaf h PHE 175 Ca 0.52 -0.14 -0.08 0.00 2.81 0.00 0.00 57.97 61.07 3gaf h PHE 175 Cb 1.01 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.37 3gaf h PHE 175 CO -0.00 0.79 -0.06 -0.44 -1.61 0.00 0.00 178.31 176.99 3gaf h ASP 176 N 0.45 0.75 -0.01 2.17 3.45 -1.08 -3.32 116.42 118.83 3gaf h ASP 176 Ca 0.09 -0.34 0.00 0.00 0.43 0.00 0.00 57.03 57.21 3gaf h ASP 176 Cb 0.53 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 3gaf h ASP 176 CO 0.03 0.92 -0.58 1.33 -1.57 0.00 0.00 179.24 179.37 3gaf n VAL 177 N -4.37 0.00 -0.05 -1.35 0.24 0.03 -4.37 118.33 108.45 3gaf n VAL 177 Ca -0.01 -0.21 -0.08 0.00 -2.04 0.00 0.00 64.34 62.00 3gaf n VAL 177 Cb 0.33 1.17 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 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 4.45 -0.13 1.73 7.63 0.00 -1.38 -0.82 103.07 114.55 3gaf h GLY 178 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3gaf h GLY 178 CO 0.00 -0.19 0.02 -1.05 0.00 0.00 0.00 176.54 175.31 3gaf n PRO 179 N -5.37 0.00 -0.18 4.80 -0.02 -1.26 -1.14 135.00 131.82 3gaf n PRO 179 Ca -0.01 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 3gaf n PRO 179 Cb 0.28 -1.52 0.24 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.38 2.42 -1.87 -0.52 2.81 -0.37 -4.94 117.12 113.27 3gaf n MET 180 Ca 0.00 -2.15 -0.07 0.00 -1.81 0.00 0.00 57.70 53.66 3gaf n MET 180 Cb 0.02 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.01 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 1.47 0.32 3.35 3.03 0.00 -0.30 -4.31 105.19 108.75 3gaf n GLY 181 Ca 0.19 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.34 2.75 0.03 -0.61 1.01 -0.88 -1.18 121.20 119.98 3gaf s ILE 182 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 3gaf s ILE 182 Cb 0.00 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3gaf s ILE 182 CO 0.00 0.55 0.21 -0.13 0.00 0.00 0.00 174.94 175.57 3gaf s ARG 183 N 0.14 3.46 -0.07 2.79 0.52 -0.68 -3.36 118.95 121.76 3gaf s ARG 183 Ca -0.09 -0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 54.79 3gaf s ARG 183 Cb -0.15 -3.06 0.03 0.00 0.52 0.00 0.00 34.95 32.28 3gaf s ARG 183 CO 0.05 0.64 -0.00 0.08 0.02 0.00 0.00 175.30 176.09 3gaf s VAL 184 N -1.41 0.38 0.13 3.52 1.01 -1.26 -0.66 120.40 122.11 3gaf s VAL 184 Ca 0.31 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 3gaf s VAL 184 Cb -0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3gaf s VAL 184 CO 0.22 0.25 0.05 0.20 0.00 0.00 0.00 175.10 175.82 3gaf s ASN 185 N 1.82 0.38 0.13 3.32 0.01 -0.52 -0.49 114.94 119.59 3gaf s ASN 185 Ca 0.03 -1.19 0.04 0.00 -0.71 0.00 0.00 52.86 51.03 3gaf s ASN 185 Cb -0.12 0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.77 3gaf s ASN 185 CO -0.05 -0.71 -0.10 0.00 -1.51 0.00 0.00 177.10 174.73 3gaf s ALA 186 N -4.01 1.36 -0.06 0.60 0.00 0.23 -0.72 121.76 119.16 3gaf s ALA 186 Ca 0.23 -1.40 0.05 0.00 0.00 0.00 0.00 51.96 50.83 3gaf s ALA 186 Cb 0.07 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3gaf s ALA 186 CO 0.01 -0.07 -0.20 0.42 0.00 0.00 0.00 175.76 175.92 3gaf s ILE 187 N -3.05 1.67 -0.40 0.00 1.01 -0.53 -0.54 121.20 119.36 3gaf s ILE 187 Ca 0.13 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 3gaf s ILE 187 Cb 0.01 -1.44 0.08 0.00 0.01 0.00 0.00 42.46 41.12 3gaf s ILE 187 CO 0.00 0.47 0.21 0.00 0.00 0.00 0.00 174.94 175.62 3gaf s ALA 188 N 0.09 3.18 0.29 9.38 0.00 -0.60 -0.35 121.76 133.76 3gaf s ALA 188 Ca -0.07 -2.18 -0.22 0.00 0.00 0.00 0.00 51.96 49.49 3gaf s ALA 188 Cb -0.14 -2.48 -0.09 0.00 0.00 0.00 0.00 23.12 20.41 3gaf s ALA 188 CO 0.04 -1.63 0.83 -1.25 0.00 0.00 0.00 175.76 173.75 3gaf s PRO 189 N 1.33 4.35 0.00 0.00 0.04 -1.26 -1.67 135.00 137.79 3gaf s PRO 189 Ca 0.03 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.12 3gaf s PRO 189 Cb -0.22 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.58 3gaf s PRO 189 CO 0.00 0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.74 3gaf n GLY 190 N 0.42 -1.17 3.68 0.56 0.00 0.49 -4.20 105.19 104.97 3gaf n GLY 190 Ca 0.01 -1.65 -0.47 0.00 0.00 0.00 0.00 46.02 43.91 3gaf n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gaf n ALA 191 N -3.00 1.05 -3.01 4.61 0.00 -1.26 -4.91 120.51 113.99 3gaf n ALA 191 Ca 0.00 0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 3gaf n ALA 191 Cb 0.00 -2.53 -0.12 0.00 0.00 0.00 0.00 19.45 16.80 3gaf n ALA 191 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gaf s ILE 192 N 4.07 4.14 -0.81 0.00 -1.09 -1.26 -1.71 121.20 124.54 3gaf s ILE 192 Ca 0.92 -0.25 -0.25 0.00 -2.23 0.00 0.00 60.65 58.83 3gaf s ILE 192 Cb -0.64 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 3gaf s ILE 192 CO 0.49 0.44 1.87 -0.75 -1.23 0.00 0.00 174.94 175.76 3gaf s LYS 193 N 0.83 2.65 -0.10 2.79 2.20 0.72 -4.91 119.74 123.92 3gaf s LYS 193 Ca 0.01 -0.04 0.03 0.00 -0.36 0.00 0.00 55.97 55.61 3gaf s LYS 193 Cb -0.14 -4.83 0.01 0.00 -1.51 0.00 0.00 37.83 31.35 3gaf s LYS 193 CO 0.02 -3.07 -0.19 -0.08 -0.36 0.00 0.00 175.35 171.67 3gaf s THR 194 N 9.35 1.77 -0.30 3.43 -1.32 -1.26 -4.67 115.64 122.64 3gaf s THR 194 Ca 0.67 -0.83 -0.28 0.00 -1.21 0.00 0.00 61.69 60.04 3gaf s THR 194 Cb -0.08 -1.56 -0.03 0.00 -1.51 0.00 0.00 72.50 69.31 3gaf s THR 194 CO 0.06 0.49 1.94 1.51 -2.21 0.00 0.00 174.62 176.42 3gaf s ASP 195 N 0.65 5.74 0.12 8.08 -4.77 -1.26 -5.04 116.67 120.19 3gaf s ASP 195 Ca -0.13 1.49 0.06 0.00 -3.30 0.00 0.00 52.55 50.67 3gaf s ASP 195 Cb -0.16 -2.52 -0.04 0.00 -1.09 0.00 0.00 42.92 39.11 3gaf s ASP 195 CO 0.03 -1.80 -0.14 0.68 0.70 0.00 0.00 175.17 174.64 3gaf s VAL 200 N 7.40 1.36 -0.57 2.11 -7.23 -1.26 -5.10 120.40 117.10 3gaf s VAL 200 Ca 0.87 -1.71 -0.20 0.00 -1.81 0.00 0.00 61.98 59.12 3gaf s VAL 200 Cb -0.26 -1.54 0.08 0.00 0.56 0.00 0.00 36.38 35.22 3gaf s VAL 200 CO 0.34 -0.40 0.74 -1.48 -0.31 0.00 0.00 175.10 173.99 3gaf s LEU 201 N -2.43 4.98 0.09 1.32 2.34 -1.26 -5.03 118.68 118.69 3gaf s LEU 201 Ca 0.09 -1.11 -0.31 0.00 0.06 0.00 0.00 54.13 52.87 3gaf s LEU 201 Cb -0.05 -2.41 -0.09 0.00 -0.56 0.00 0.00 46.19 43.08 3gaf s LEU 201 CO 0.03 -1.11 1.69 0.42 -1.06 0.00 0.00 176.35 176.33 3gaf s THR 202 N 3.00 2.86 -0.70 5.48 -4.23 -1.26 -4.87 115.64 115.92 3gaf s THR 202 Ca 0.16 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 3gaf s THR 202 Cb -0.20 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.40 3gaf s THR 202 CO 0.10 0.00 0.83 -2.65 -0.54 0.00 0.00 174.62 172.36 3gaf n PRO 203 N 5.46 0.00 -0.01 3.99 -0.02 -1.26 0.50 135.00 143.66 3gaf n PRO 203 Ca 0.16 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3gaf n PRO 203 Cb 0.40 -1.65 -0.12 0.00 -0.02 0.00 0.00 33.50 32.10 3gaf n PRO 203 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gaf n GLU 204 N -1.33 0.65 0.14 -0.52 4.71 -1.26 -3.83 120.64 119.20 3gaf n GLU 204 Ca 0.00 0.05 0.02 0.00 -0.01 0.00 0.00 57.16 57.22 3gaf n GLU 204 Cb 0.15 -1.65 0.02 0.00 -1.01 0.00 0.00 31.44 28.95 3gaf n GLU 204 CO 0.00 0.00 0.00 -0.84 0.09 0.00 0.00 177.13 176.38 3gaf h ILE 205 N 0.00 0.88 -0.65 -3.67 3.07 -0.31 -3.20 117.51 113.63 3gaf h ILE 205 Ca -0.22 -2.25 -0.05 0.00 1.55 0.00 0.00 64.86 63.88 3gaf h ILE 205 Cb 1.60 2.43 -0.03 0.00 -0.27 0.00 0.00 36.82 40.55 3gaf h ILE 205 CO 0.03 0.50 0.22 -0.08 -1.05 0.00 0.00 178.15 177.77 3gaf h GLU 206 N 0.00 1.01 -0.47 0.16 4.81 -1.33 -0.70 114.58 118.04 3gaf h GLU 206 Ca -0.01 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 58.96 3gaf h GLU 206 Cb 1.40 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3gaf h GLU 206 CO 0.07 0.87 0.07 0.00 -0.73 0.00 0.00 179.01 179.29 3gaf h ARG 207 N 0.94 0.74 0.00 1.92 3.08 -1.66 -1.73 114.38 117.67 3gaf h ARG 207 Ca 0.21 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3gaf h ARG 207 Cb 0.28 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3gaf h ARG 207 CO -0.01 0.70 -0.26 0.00 -1.07 0.00 0.00 179.97 179.33 3gaf h ALA 208 N 1.38 0.85 -0.09 0.04 0.00 -1.52 -2.43 119.26 117.49 3gaf h ALA 208 Ca 0.15 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 3gaf h ALA 208 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gaf h ALA 208 CO 0.00 0.24 -0.78 0.52 0.00 0.00 0.00 179.25 179.23 3gaf h MET 209 N 0.00 0.55 -0.25 0.00 2.07 -0.86 -3.29 114.93 113.15 3gaf h MET 209 Ca -0.01 -0.47 0.00 0.00 -2.07 0.00 0.00 59.70 57.15 3gaf h MET 209 Cb 1.15 0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.98 3gaf h MET 209 CO 0.02 1.10 0.00 1.28 1.07 0.00 0.00 176.91 180.38 3gaf n LEU 210 N -3.86 2.00 -0.23 1.22 4.77 -0.67 -4.25 117.00 115.97 3gaf n LEU 210 Ca -0.06 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 3gaf n LEU 210 Cb 0.74 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.74 3gaf n LEU 210 CO 0.50 0.44 0.73 0.11 -1.33 0.00 0.00 177.39 177.84 3gaf h LYS 211 N 2.51 -0.00 -0.76 3.23 1.79 -1.51 -2.60 116.57 119.22 3gaf h LYS 211 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 3gaf h LYS 211 Cb 0.56 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 30.88 3gaf h LYS 211 CO 0.00 -0.00 -0.14 0.72 -1.08 0.00 0.00 179.45 178.95 3gaf n HIS 212 N -5.45 2.63 -3.73 -1.35 8.25 -1.26 -4.91 115.22 109.39 3gaf n HIS 212 Ca 0.08 -2.38 -0.37 0.00 -0.26 0.00 0.00 57.72 54.80 3gaf n HIS 212 Cb 0.35 -0.73 -0.11 0.00 1.12 0.00 0.00 29.99 30.62 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 -4.43 3.47 0.34 1.59 2.01 -0.98 -3.56 115.64 114.07 3gaf s THR 213 Ca 0.54 -1.98 0.10 0.00 0.31 0.00 0.00 61.69 60.66 3gaf s THR 213 Cb 0.44 -3.35 0.33 0.00 0.01 0.00 0.00 72.50 69.94 3gaf s THR 213 CO 0.02 -0.69 1.79 -0.65 -0.69 0.00 0.00 174.62 174.39 3gaf h PRO 214 N 8.13 0.61 0.00 4.92 0.11 -1.80 0.13 132.00 144.10 3gaf h PRO 214 Ca -0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3gaf h PRO 214 Cb 1.05 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3gaf h PRO 214 CO 0.73 0.41 0.00 1.28 -0.21 0.00 0.00 178.00 180.20 3gaf n LEU 215 N -4.70 0.72 -0.76 2.35 4.77 -0.88 -4.93 117.00 113.57 3gaf n LEU 215 Ca 0.23 0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 56.70 3gaf n LEU 215 Cb 0.65 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3gaf n LEU 215 CO 0.24 -0.20 -0.09 0.61 -1.33 0.00 0.00 177.39 176.61 3gaf n GLY 216 N 1.18 0.80 3.19 -0.72 0.00 0.45 -5.00 105.19 105.08 3gaf n GLY 216 Ca 0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.18 0.89 0.61 1.61 1.70 -1.26 -5.07 118.95 114.25 3gaf s ARG 217 Ca 0.00 -1.23 -0.09 0.00 -0.47 0.00 0.00 55.73 53.93 3gaf s ARG 217 Cb 0.00 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 3gaf s ARG 217 CO 0.00 -0.26 0.98 -0.51 -1.08 0.00 0.00 175.30 174.43 3gaf s LEU 218 N -2.96 3.22 0.73 -1.89 1.43 -1.26 -4.91 118.68 113.03 3gaf s LEU 218 Ca 0.15 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 3gaf s LEU 218 Cb 0.06 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 42.22 3gaf s LEU 218 CO -0.04 -0.96 1.10 -0.83 0.23 0.00 0.00 176.35 175.85 3gaf s GLY 219 N -4.23 1.63 0.15 -3.19 0.00 -0.69 -4.82 107.32 96.16 3gaf s GLY 219 Ca 0.54 -0.32 0.11 0.00 0.00 0.00 0.00 44.72 45.05 3gaf s GLY 219 CO 0.50 0.07 -0.26 -0.54 0.00 0.00 0.00 173.10 172.87 3gaf s GLU 220 N -5.32 1.42 0.47 2.90 0.41 -1.26 -0.20 118.70 117.12 3gaf s GLU 220 Ca 0.59 -1.39 0.24 0.00 -0.41 0.00 0.00 54.97 54.00 3gaf s GLU 220 Cb -0.12 -1.87 1.27 0.00 -1.78 0.00 0.00 34.13 31.63 3gaf s GLU 220 CO 0.52 0.43 1.87 0.00 -0.49 0.00 0.00 175.26 177.60 3gaf h ALA 221 N 3.71 2.50 -0.68 5.21 0.00 -1.91 0.44 119.26 128.53 3gaf h ALA 221 Ca -0.50 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.45 3gaf h ALA 221 Cb 1.18 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3gaf h ALA 221 CO 0.41 -0.77 0.41 0.37 0.00 0.00 0.00 179.25 179.67 3gaf h GLN 222 N 0.21 0.76 -0.74 0.00 5.75 -1.92 -0.47 115.11 118.70 3gaf h GLN 222 Ca 0.45 -0.05 0.14 0.00 -0.15 0.00 0.00 58.65 59.04 3gaf h GLN 222 Cb 1.42 -0.17 -0.10 0.00 1.07 0.00 0.00 27.48 29.70 3gaf h GLN 222 CO -0.10 0.50 0.27 -0.44 -2.65 0.00 0.00 178.83 176.41 3gaf h ASP 223 N 0.78 0.23 -0.36 -0.69 3.32 -1.31 0.29 116.42 118.67 3gaf h ASP 223 Ca 0.29 0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.33 3gaf h ASP 223 Cb 0.09 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3gaf h ASP 223 CO -0.14 0.08 -0.22 0.40 -1.72 0.00 0.00 179.24 177.64 3gaf h ILE 224 N 0.41 1.29 -0.88 0.35 1.08 -1.42 -2.84 117.51 115.49 3gaf h ILE 224 Ca 0.40 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 3gaf h ILE 224 Cb 0.62 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.70 3gaf h ILE 224 CO -0.41 0.45 0.57 0.00 -0.69 0.00 0.00 178.15 178.07 3gaf h ALA 225 N 0.78 1.12 -0.57 1.87 0.00 -0.30 0.22 119.26 122.39 3gaf h ALA 225 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gaf h ALA 225 Cb 0.78 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3gaf h ALA 225 CO 0.06 0.54 0.36 -0.91 0.00 0.00 0.00 179.25 179.31 3gaf h ASN 226 N 1.21 0.68 -0.65 0.00 2.35 -0.43 -0.77 115.58 117.96 3gaf h ASN 226 Ca 0.32 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 3gaf h ASN 226 Cb -0.11 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 3gaf h ASN 226 CO -0.07 0.51 0.09 0.00 -1.65 0.00 0.00 177.43 176.31 3gaf h ALA 227 N 1.19 0.91 -0.52 -0.83 0.00 -1.16 -2.11 119.26 116.74 3gaf h ALA 227 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3gaf h ALA 227 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3gaf h ALA 227 CO -0.04 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.15 3gaf h ALA 228 N 1.06 0.66 -0.46 0.00 0.00 -0.18 -1.31 119.26 119.03 3gaf h ALA 228 Ca 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3gaf h ALA 228 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3gaf h ALA 228 CO 0.02 0.19 0.15 1.25 0.00 0.00 0.00 179.25 180.85 3gaf h LEU 229 N 0.69 0.67 0.33 0.00 5.85 -1.05 -0.23 115.31 121.56 3gaf h LEU 229 Ca 0.18 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3gaf h LEU 229 Cb 0.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3gaf h LEU 229 CO -0.03 0.70 -0.42 0.15 -0.34 0.00 0.00 178.44 178.50 3gaf h PHE 230 N 0.61 -1.15 0.00 1.25 3.57 -1.03 -2.48 116.94 117.72 3gaf h PHE 230 Ca 0.15 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3gaf h PHE 230 Cb 0.27 0.46 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 3gaf h PHE 230 CO 0.01 -0.56 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.40 3gaf h LEU 231 N -0.79 0.00 -1.83 0.59 3.38 -0.97 -2.32 115.31 113.37 3gaf h LEU 231 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gaf h LEU 231 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3gaf h LEU 231 CO -0.12 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.48 3gaf s SER 233 N -1.76 4.66 0.36 0.00 1.04 -0.87 -4.86 113.70 112.27 3gaf s SER 233 Ca 0.34 -0.84 0.22 0.00 0.48 0.00 0.00 55.95 56.15 3gaf s SER 233 Cb 0.21 -0.65 1.22 0.00 0.10 0.00 0.00 66.02 66.90 3gaf s SER 233 CO 0.31 -0.40 1.67 -0.65 0.98 0.00 0.00 173.24 175.15 3gaf h PRO 234 N 1.46 0.00 0.00 4.02 0.11 -1.68 -1.42 132.00 134.48 3gaf h PRO 234 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.64 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 3gaf n ALA 235 N -1.77 1.40 -1.86 -0.75 0.00 0.35 -2.57 120.51 115.31 3gaf n ALA 235 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3gaf n ALA 235 Cb 0.09 -1.20 0.15 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.58 3.49 0.32 0.00 0.00 -0.54 -4.86 120.51 117.34 3gaf n ALA 236 Ca 0.02 -3.14 0.21 0.00 0.00 0.00 0.00 53.44 50.52 3gaf n ALA 236 Cb 0.12 -0.44 1.01 0.00 0.00 0.00 0.00 19.45 20.14 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 1.15 1.00 -0.03 0.00 0.00 -1.61 -1.77 119.26 118.01 3gaf h ALA 237 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gaf h ALA 237 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3gaf h ALA 237 CO 0.09 0.00 0.00 1.87 0.00 0.00 0.00 179.25 181.21 3gaf n TRP 238 N -3.06 0.08 -3.62 0.00 -0.00 -1.26 -4.95 117.44 104.63 3gaf n TRP 238 Ca -0.02 -0.88 -0.39 0.00 -0.00 0.00 0.00 57.50 56.22 3gaf n TRP 238 Cb 0.16 -0.14 -0.11 0.00 -0.00 0.00 0.00 31.31 31.21 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 -2.46 4.89 -0.00 5.87 1.01 -0.67 -5.08 121.20 124.77 3gaf s ILE 239 Ca 0.26 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 3gaf s ILE 239 Cb 0.23 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 39.26 3gaf s ILE 239 CO 0.03 0.10 0.31 -0.55 0.00 0.00 0.00 174.94 174.83 3gaf s SER 240 N 1.67 -0.17 -0.92 3.58 0.15 -1.26 -4.62 113.70 112.13 3gaf s SER 240 Ca 0.06 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.72 3gaf s SER 240 Cb -0.17 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 3gaf s SER 240 CO 0.08 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.64 3gaf n GLY 241 N 1.11 0.62 3.67 9.45 0.00 0.36 -4.97 105.19 115.43 3gaf n GLY 241 Ca -0.21 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.52 2.71 -0.32 1.61 -1.52 -1.25 -4.49 119.66 112.89 3gaf s GLN 242 Ca 0.00 -0.67 -0.01 0.00 -1.95 0.00 0.00 55.36 52.73 3gaf s GLN 242 Cb 0.00 -2.62 0.07 0.00 -0.22 0.00 0.00 33.01 30.23 3gaf s GLN 242 CO 0.00 0.60 0.02 0.08 -0.25 0.00 0.00 175.29 175.75 3gaf s VAL 243 N -1.12 2.88 -0.40 1.09 1.01 -1.26 -0.60 120.40 121.99 3gaf s VAL 243 Ca 0.21 -1.61 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 3gaf s VAL 243 Cb -0.11 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.53 3gaf s VAL 243 CO 0.12 -0.24 0.55 -0.22 0.00 0.00 0.00 175.10 175.30 3gaf s LEU 244 N 1.18 4.55 -0.04 3.92 2.96 0.30 -4.91 118.68 126.64 3gaf s LEU 244 Ca -0.02 -0.33 -0.28 0.00 -0.22 0.00 0.00 54.13 53.28 3gaf s LEU 244 Cb -0.20 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 3gaf s LEU 244 CO -0.03 -0.63 0.89 -0.89 -1.32 0.00 0.00 176.35 174.38 3gaf s THR 245 N 2.50 4.91 -0.39 3.68 2.01 -1.26 -1.56 115.64 125.53 3gaf s THR 245 Ca 0.18 1.86 0.02 0.00 0.31 0.00 0.00 61.69 64.06 3gaf s THR 245 Cb -0.15 -4.23 0.11 0.00 0.01 0.00 0.00 72.50 68.24 3gaf s THR 245 CO 0.16 0.16 0.15 -0.69 -0.69 0.00 0.00 174.62 173.70 3gaf s VAL 246 N 1.16 1.68 0.00 3.82 1.01 -0.67 -4.91 120.40 122.49 3gaf s VAL 246 Ca 0.47 -2.29 0.01 0.00 0.00 0.00 0.00 61.98 60.16 3gaf s VAL 246 Cb -0.19 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 33.98 3gaf s VAL 246 CO 0.23 -0.74 0.70 -1.54 0.00 0.00 0.00 175.10 173.76 3gaf n SER 247 N 4.04 -0.03 -1.99 3.32 3.41 -1.26 -0.38 113.62 120.73 3gaf n SER 247 Ca 0.04 -1.40 -0.20 0.00 -0.26 0.00 0.00 58.87 57.05 3gaf n SER 247 Cb 0.38 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.01 0.40 0.82 5.00 0.00 -1.26 -2.96 105.19 107.20 3gaf n GLY 248 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.85 0.68 0.00 -0.02 0.00 -1.26 -2.08 105.19 101.66 3gaf n GLY 249 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.05 3.08 3.40 -0.02 0.00 -1.16 -4.60 105.19 103.86 3gaf n GLY 250 Ca 0.00 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.48 3.18 -0.47 1.61 -7.23 -1.23 -4.78 120.40 109.00 3gaf s VAL 251 Ca 0.00 -0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 59.36 3gaf s VAL 251 Cb 0.00 -2.33 0.04 0.00 0.56 0.00 0.00 36.38 34.65 3gaf s VAL 251 CO 0.00 0.53 0.56 -1.10 -0.31 0.00 0.00 175.10 174.78 3gaf s GLN 252 N 0.24 3.13 0.00 4.82 1.11 -1.26 -4.54 119.66 123.15 3gaf s GLN 252 Ca -0.08 -0.82 0.00 0.00 0.01 0.00 0.00 55.36 54.47 3gaf s GLN 252 Cb -0.15 -4.04 0.00 0.00 -1.01 0.00 0.00 33.01 27.80 3gaf s GLN 252 CO 0.05 -1.08 0.00 0.39 0.01 0.00 0.00 175.29 174.66