#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 0.87 -0.43 -1.46 -0.04 -1.26 -3.20 135.00 129.48 3gaf n PRO 6 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 3gaf n PRO 6 Cb 0.00 -1.29 0.22 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.79 1.02 -4.09 0.54 3.72 -1.26 -1.48 117.46 115.12 3gaf n PHE 7 Ca 0.12 -0.37 -0.24 0.00 -0.05 0.00 0.00 57.45 56.91 3gaf n PHE 7 Cb 0.06 -0.25 -0.05 0.00 -0.94 0.00 0.00 39.48 38.30 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 -1.85 3.16 -0.67 1.38 3.76 -1.19 -4.94 115.29 114.94 3gaf s HIS 8 Ca 0.30 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 55.18 3gaf s HIS 8 Cb 0.21 -1.47 0.37 0.00 1.11 0.00 0.00 32.58 32.80 3gaf s HIS 8 CO 0.11 0.52 1.40 1.28 -0.85 0.00 0.00 174.74 177.20 3gaf n LEU 9 N -0.79 5.75 -4.72 0.89 4.32 0.01 -4.48 117.00 117.99 3gaf n LEU 9 Ca -0.08 -5.29 -0.42 0.00 -0.02 0.00 0.00 56.01 50.20 3gaf n LEU 9 Cb 0.56 -0.75 -0.03 0.00 -1.62 0.00 0.00 43.42 41.59 3gaf n LEU 9 CO 0.43 2.13 1.02 0.20 -1.22 0.00 0.00 177.39 179.95 3gaf s ASN 10 N -2.59 6.89 -1.21 -1.43 0.01 -1.26 -2.28 114.94 113.07 3gaf s ASN 10 Ca 0.48 2.26 0.00 0.00 -0.71 0.00 0.00 52.86 54.89 3gaf s ASN 10 Cb 0.34 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.42 3gaf s ASN 10 CO -0.22 -0.60 0.00 0.47 -1.51 0.00 0.00 177.10 175.24 3gaf n ASP 11 N 3.87 -4.13 -4.90 -1.22 8.00 -1.24 -4.97 116.55 111.97 3gaf n ASP 11 Ca 0.11 0.19 -0.29 0.00 0.71 0.00 0.00 54.79 55.51 3gaf n ASP 11 Cb 0.43 -3.54 -0.03 0.00 -0.02 0.00 0.00 41.12 37.97 3gaf n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gaf s ALA 12 N -2.61 3.48 -0.17 2.24 0.00 -0.97 -4.98 121.76 118.76 3gaf s ALA 12 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 3gaf s ALA 12 Cb 0.00 -2.50 0.04 0.00 0.00 0.00 0.00 23.12 20.66 3gaf s ALA 12 CO 0.00 0.03 -0.08 0.08 0.00 0.00 0.00 175.76 175.79 3gaf s VAL 13 N -2.32 1.31 -0.13 0.00 1.01 -1.26 -1.10 120.40 117.90 3gaf s VAL 13 Ca 0.47 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3gaf s VAL 13 Cb -0.10 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3gaf s VAL 13 CO 0.33 0.18 -0.18 0.00 0.00 0.00 0.00 175.10 175.44 3gaf s ALA 14 N 1.55 2.41 -0.15 5.51 0.00 -0.02 -0.98 121.76 130.08 3gaf s ALA 14 Ca 0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 3gaf s ALA 14 Cb -0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 3gaf s ALA 14 CO -0.08 0.16 0.28 0.42 0.00 0.00 0.00 175.76 176.54 3gaf s ILE 15 N 0.52 5.30 -0.21 0.00 1.01 -0.22 -0.87 121.20 126.73 3gaf s ILE 15 Ca -0.12 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 3gaf s ILE 15 Cb -0.16 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.75 3gaf s ILE 15 CO 0.04 0.42 -0.03 -0.69 0.00 0.00 0.00 174.94 174.69 3gaf s VAL 16 N 0.24 1.14 0.58 2.92 1.01 -0.62 -0.24 120.40 125.42 3gaf s VAL 16 Ca 0.16 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3gaf s VAL 16 Cb -0.13 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3gaf s VAL 16 CO 0.04 -0.09 0.91 0.42 0.00 0.00 0.00 175.10 176.39 3gaf s THR 17 N 1.58 4.07 -1.20 3.92 -4.23 -0.96 -1.61 115.64 117.21 3gaf s THR 17 Ca -0.03 0.21 -0.33 0.00 -1.18 0.00 0.00 61.69 60.36 3gaf s THR 17 Cb -0.18 -3.61 0.04 0.00 1.34 0.00 0.00 72.50 70.09 3gaf s THR 17 CO -0.07 -0.66 0.70 0.61 -0.54 0.00 0.00 174.62 174.66 3gaf n GLY 18 N -2.58 -0.86 0.50 3.99 0.00 -0.97 -3.69 105.19 101.59 3gaf n GLY 18 Ca 0.04 0.35 0.07 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.94 2.96 -0.03 4.61 0.00 -0.11 -4.30 120.51 118.71 3gaf n ALA 19 Ca -0.11 -2.84 -0.15 0.00 0.00 0.00 0.00 53.44 50.35 3gaf n ALA 19 Cb 0.57 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 0.60 0.44 -2.78 0.00 0.00 -1.82 -3.17 119.26 112.53 3gaf h ALA 20 Ca -0.02 -0.57 -0.41 0.00 0.00 0.00 0.00 54.91 53.91 3gaf h ALA 20 Cb 1.11 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 3gaf h ALA 20 CO 0.01 0.69 -0.53 0.00 0.00 0.00 0.00 179.25 179.43 3gaf s ALA 21 N -3.87 1.71 0.00 0.00 0.00 -1.26 -4.72 121.76 113.62 3gaf s ALA 21 Ca -0.09 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 49.91 3gaf s ALA 21 Cb 0.10 1.43 0.00 0.00 0.00 0.00 0.00 23.12 24.65 3gaf s ALA 21 CO 0.88 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.42 3gaf n GLY 22 N -0.53 3.55 0.15 0.00 0.00 -1.26 -2.64 105.19 104.45 3gaf n GLY 22 Ca 0.06 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 1.35 -0.24 -0.61 2.04 -1.92 -2.76 117.51 115.37 3gaf h ILE 23 Ca 0.00 -1.41 0.06 0.00 1.00 0.00 0.00 64.86 64.51 3gaf h ILE 23 Cb 0.00 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 3gaf h ILE 23 CO 0.00 0.42 -0.19 1.23 0.00 0.00 0.00 178.15 179.61 3gaf h GLY 24 N 0.08 -0.05 0.91 5.37 0.00 -1.73 -1.35 103.07 106.30 3gaf h GLY 24 Ca 0.02 0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.61 3gaf h GLY 24 CO 0.05 -0.18 0.25 -0.09 0.00 0.00 0.00 176.54 176.57 3gaf h ARG 25 N -0.19 0.49 -0.68 4.80 2.43 -1.47 -2.09 114.38 117.67 3gaf h ARG 25 Ca 0.14 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3gaf h ARG 25 Cb 0.39 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3gaf h ARG 25 CO -0.35 0.33 0.27 0.00 -1.51 0.00 0.00 179.97 178.71 3gaf h ALA 26 N 1.19 1.20 -0.09 2.80 0.00 -1.32 -2.42 119.26 120.62 3gaf h ALA 26 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gaf h ALA 26 Cb 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3gaf h ALA 26 CO -0.08 0.59 0.03 0.82 0.00 0.00 0.00 179.25 180.61 3gaf h ILE 27 N 0.98 1.15 0.67 0.00 2.04 -0.86 -0.80 117.51 120.69 3gaf h ILE 27 Ca 0.23 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3gaf h ILE 27 Cb 0.19 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3gaf h ILE 27 CO -0.02 0.13 -0.38 0.00 0.00 0.00 0.00 178.15 177.88 3gaf h ALA 28 N 0.87 -0.99 -0.78 1.87 0.00 -1.21 0.30 119.26 119.32 3gaf h ALA 28 Ca 0.03 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.91 3gaf h ALA 28 Cb 0.18 0.45 -0.14 0.00 0.00 0.00 0.00 17.79 18.27 3gaf h ALA 28 CO -0.00 -1.07 -0.05 0.78 0.00 0.00 0.00 179.25 178.91 3gaf h GLY 29 N -0.98 0.79 0.90 0.00 0.00 -1.52 -0.59 103.07 101.67 3gaf h GLY 29 Ca -0.09 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 3gaf h GLY 29 CO 0.11 -0.31 -0.13 -0.84 0.00 0.00 0.00 176.54 175.37 3gaf h THR 30 N 0.06 1.29 -0.57 4.70 2.02 -0.80 -0.99 112.91 118.63 3gaf h THR 30 Ca 0.42 -1.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.29 3gaf h THR 30 Cb 0.72 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 3gaf h THR 30 CO -0.73 0.39 0.03 -0.26 0.37 0.00 0.00 175.52 175.31 3gaf h PHE 31 N 0.33 1.02 0.65 3.16 -1.00 0.09 -0.15 116.94 121.04 3gaf h PHE 31 Ca 0.06 -0.15 -0.03 0.00 2.81 0.00 0.00 57.97 60.66 3gaf h PHE 31 Cb 0.65 -0.28 0.01 0.00 3.61 0.00 0.00 35.95 39.94 3gaf h PHE 31 CO 0.06 0.90 -0.31 0.00 -1.61 0.00 0.00 178.31 177.35 3gaf h ALA 32 N 1.14 -0.87 -0.30 2.45 0.00 -1.10 -1.77 119.26 118.81 3gaf h ALA 32 Ca 0.17 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3gaf h ALA 32 Cb 0.48 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3gaf h ALA 32 CO 0.02 -0.95 0.25 1.57 0.00 0.00 0.00 179.25 180.14 3gaf h LYS 33 N -0.94 0.00 -0.00 0.00 2.10 -0.95 1.09 116.57 117.86 3gaf h LYS 33 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 3gaf h LYS 33 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 3gaf h LYS 33 CO 0.15 0.00 -0.00 0.00 -2.00 0.00 0.00 179.45 177.59 3gaf n ALA 34 N -2.50 2.63 0.00 0.07 0.00 -0.09 -4.91 120.51 115.71 3gaf n ALA 34 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3gaf n ALA 34 Cb 0.41 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.09 1.22 3.92 0.00 0.00 0.38 -0.81 105.19 110.99 3gaf n GLY 35 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 3.96 -0.06 4.61 0.00 -0.71 -3.61 121.76 123.94 3gaf s ALA 36 Ca 0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 3gaf s ALA 36 Cb 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 3gaf s ALA 36 CO 0.00 0.75 0.63 -1.12 0.00 0.00 0.00 175.76 176.02 3gaf s SER 37 N -2.62 6.92 -0.19 0.00 0.01 -0.26 -4.12 113.70 113.43 3gaf s SER 37 Ca 0.36 1.10 0.01 0.00 1.31 0.00 0.00 55.95 58.73 3gaf s SER 37 Cb -0.13 -2.37 0.02 0.00 0.21 0.00 0.00 66.02 63.75 3gaf s SER 37 CO 0.28 -0.04 -0.17 -0.69 0.41 0.00 0.00 173.24 173.02 3gaf s VAL 38 N 0.53 2.19 -0.42 3.43 1.01 -0.72 -0.84 120.40 125.57 3gaf s VAL 38 Ca 0.33 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 3gaf s VAL 38 Cb -0.17 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.25 3gaf s VAL 38 CO 0.16 0.45 0.84 -0.69 0.00 0.00 0.00 175.10 175.86 3gaf s VAL 39 N 1.28 4.61 -0.16 2.92 1.01 -0.05 -2.21 120.40 127.80 3gaf s VAL 39 Ca 0.03 0.70 -0.17 0.00 0.00 0.00 0.00 61.98 62.54 3gaf s VAL 39 Cb -0.14 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 3gaf s VAL 39 CO -0.11 -0.67 0.44 -0.69 0.00 0.00 0.00 175.10 174.07 3gaf s VAL 40 N 3.40 5.19 0.17 2.92 1.01 -0.23 -1.60 120.40 131.26 3gaf s VAL 40 Ca 0.33 0.84 0.10 0.00 0.00 0.00 0.00 61.98 63.25 3gaf s VAL 40 Cb -0.12 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3gaf s VAL 40 CO 0.22 0.29 -0.21 0.42 0.00 0.00 0.00 175.10 175.82 3gaf s THR 41 N 0.93 2.01 0.23 3.92 -4.23 -0.63 -0.57 115.64 117.30 3gaf s THR 41 Ca 0.23 -1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 58.63 3gaf s THR 41 Cb -0.15 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.81 3gaf s THR 41 CO 0.09 -0.20 0.63 -0.62 -0.54 0.00 0.00 174.62 173.98 3gaf s ASP 42 N -2.55 -0.31 0.21 3.99 -1.08 -0.72 -0.93 116.67 115.28 3gaf s ASP 42 Ca 0.16 -0.47 -0.10 0.00 -0.52 0.00 0.00 52.55 51.62 3gaf s ASP 42 Cb -0.07 0.65 0.16 0.00 -1.46 0.00 0.00 42.92 42.20 3gaf s ASP 42 CO 0.07 -1.18 1.86 -0.07 0.52 0.00 0.00 175.17 176.37 3gaf h LEU 43 N 2.07 0.92 -8.85 -1.34 3.38 -1.88 1.58 115.31 111.19 3gaf h LEU 43 Ca -0.25 -0.06 -0.65 0.00 0.09 0.00 0.00 57.88 57.01 3gaf h LEU 43 Cb 1.27 -0.23 -0.18 0.00 0.09 0.00 0.00 40.66 41.61 3gaf h LEU 43 CO 0.31 0.71 -0.51 -0.54 0.09 0.00 0.00 178.44 178.49 3gaf s LYS 44 N -6.00 3.85 0.49 1.13 1.02 -1.26 -4.61 119.74 114.35 3gaf s LYS 44 Ca -0.13 -0.39 0.17 0.00 0.02 0.00 0.00 55.97 55.63 3gaf s LYS 44 Cb 0.15 -3.68 1.17 0.00 -0.52 0.00 0.00 37.83 34.95 3gaf s LYS 44 CO 0.79 -0.24 2.07 0.66 -0.92 0.00 0.00 175.35 177.72 3gaf h SER 45 N 8.39 0.00 -0.55 2.83 4.64 -1.84 -2.40 113.55 124.62 3gaf h SER 45 Ca -0.34 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.93 3gaf h SER 45 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 3gaf h SER 45 CO 0.57 0.10 0.17 -0.33 -0.87 0.00 0.00 176.83 176.47 3gaf h GLU 46 N 0.00 0.86 -0.63 4.77 3.07 -1.93 0.17 114.58 120.88 3gaf h GLU 46 Ca -0.00 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.63 3gaf h GLU 46 Cb 0.18 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 3gaf h GLU 46 CO 0.01 0.78 0.22 0.78 -1.40 0.00 0.00 179.01 179.41 3gaf h GLY 47 N 0.77 1.04 1.48 -3.84 0.00 -1.84 -1.94 103.07 98.73 3gaf h GLY 47 Ca 0.18 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 3gaf h GLY 47 CO -0.00 0.56 -0.26 0.00 0.00 0.00 0.00 176.54 176.84 3gaf h ALA 48 N 1.09 0.99 0.02 3.60 0.00 -1.33 -3.03 119.26 120.58 3gaf h ALA 48 Ca 0.21 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.53 3gaf h ALA 48 Cb 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gaf h ALA 48 CO -0.01 0.60 -0.94 0.93 0.00 0.00 0.00 179.25 179.82 3gaf h GLU 49 N 0.53 0.29 -0.47 0.00 4.39 -0.90 -2.52 114.58 115.89 3gaf h GLU 49 Ca 0.07 -0.33 0.04 0.00 0.34 0.00 0.00 59.36 59.48 3gaf h GLU 49 Cb 0.72 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 3gaf h GLU 49 CO 0.06 1.05 0.32 0.00 -1.16 0.00 0.00 179.01 179.27 3gaf h ALA 50 N 0.83 1.81 0.13 3.43 0.00 -1.33 0.47 119.26 124.60 3gaf h ALA 50 Ca -0.07 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 3gaf h ALA 50 Cb 1.59 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 19.27 3gaf h ALA 50 CO 0.15 0.13 -0.93 0.28 0.00 0.00 0.00 179.25 178.89 3gaf h VAL 51 N 0.51 1.44 -0.80 0.00 2.07 -1.52 -2.84 116.25 115.10 3gaf h VAL 51 Ca 0.19 -2.46 0.07 0.00 0.82 0.00 0.00 66.70 65.32 3gaf h VAL 51 Cb 0.14 3.01 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 3gaf h VAL 51 CO -0.05 0.71 0.48 0.00 0.02 0.00 0.00 177.57 178.73 3gaf h ALA 52 N 0.16 1.10 -0.25 1.67 0.00 -1.18 -1.82 119.26 118.94 3gaf h ALA 52 Ca -0.15 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3gaf h ALA 52 Cb 1.69 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 3gaf h ALA 52 CO 0.18 0.17 0.01 0.00 0.00 0.00 0.00 179.25 179.60 3gaf h ALA 53 N 1.40 0.23 -0.32 0.00 0.00 -0.10 -1.31 119.26 119.15 3gaf h ALA 53 Ca 0.36 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 3gaf h ALA 53 Cb 0.22 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3gaf h ALA 53 CO -0.19 -0.41 -0.32 0.00 0.00 0.00 0.00 179.25 178.32 3gaf h ALA 54 N 1.22 0.83 -0.21 0.00 0.00 -1.30 0.84 119.26 120.64 3gaf h ALA 54 Ca 0.12 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gaf h ALA 54 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3gaf h ALA 54 CO -0.20 0.64 0.12 0.82 0.00 0.00 0.00 179.25 180.63 3gaf h ILE 55 N 0.59 1.01 -0.70 0.00 2.04 -1.21 -2.31 117.51 116.93 3gaf h ILE 55 Ca 0.07 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3gaf h ILE 55 Cb 0.84 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3gaf h ILE 55 CO 0.07 0.04 0.25 0.03 0.00 0.00 0.00 178.15 178.55 3gaf h ARG 56 N 0.24 1.07 0.00 2.37 3.08 -0.96 -0.69 114.38 119.48 3gaf h ARG 56 Ca 0.08 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3gaf h ARG 56 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3gaf h ARG 56 CO -0.05 0.90 0.00 1.04 -1.07 0.00 0.00 179.97 180.79 3gaf n GLN 57 N -4.34 0.19 -0.16 0.04 1.13 0.27 -2.12 117.38 112.38 3gaf n GLN 57 Ca 0.05 0.49 0.08 0.00 -1.94 0.00 0.00 57.00 55.69 3gaf n GLN 57 Cb 0.20 -1.92 0.17 0.00 0.11 0.00 0.00 30.24 28.80 3gaf n GLN 57 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gaf n ALA 58 N -1.79 2.33 0.00 -1.58 0.00 -0.88 -4.97 120.51 113.63 3gaf n ALA 58 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3gaf n ALA 58 Cb 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3gaf n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaf n GLY 59 N 0.95 0.98 2.63 0.00 0.00 -0.90 -5.07 105.19 103.77 3gaf n GLY 59 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.28 1.60 3.25 -0.02 0.00 -0.32 -5.01 105.19 103.42 3gaf n GLY 60 Ca 0.00 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 3gaf n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gaf s LYS 61 N -3.90 3.19 -0.25 1.61 2.20 -1.26 -4.21 119.74 117.12 3gaf s LYS 61 Ca 0.42 -0.76 -0.26 0.00 -0.36 0.00 0.00 55.97 55.01 3gaf s LYS 61 Cb -0.03 -2.61 0.07 0.00 -1.51 0.00 0.00 37.83 33.75 3gaf s LYS 61 CO 0.27 -0.00 0.74 0.00 -0.36 0.00 0.00 175.35 176.00 3gaf s ALA 62 N 0.86 -1.79 0.09 3.13 0.00 -1.26 -1.76 121.76 121.02 3gaf s ALA 62 Ca -0.05 1.95 0.09 0.00 0.00 0.00 0.00 51.96 53.95 3gaf s ALA 62 Cb -0.15 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 3gaf s ALA 62 CO -0.01 -0.34 -0.24 0.96 0.00 0.00 0.00 175.76 176.13 3gaf s ILE 63 N 0.21 2.00 -0.01 0.00 -4.36 -0.94 -4.81 121.20 113.29 3gaf s ILE 63 Ca -0.01 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 58.85 3gaf s ILE 63 Cb -0.04 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.87 3gaf s ILE 63 CO 0.01 0.12 0.01 -0.83 0.24 0.00 0.00 174.94 174.49 3gaf s GLY 64 N -1.72 1.88 0.07 6.27 0.00 -1.26 -1.06 107.32 111.51 3gaf s GLY 64 Ca 0.11 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.92 3gaf s GLY 64 CO 0.04 -0.80 -0.09 1.08 0.00 0.00 0.00 173.10 173.33 3gaf s LEU 65 N -1.53 2.35 0.23 0.66 1.43 0.27 -4.76 118.68 117.33 3gaf s LEU 65 Ca 0.19 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 3gaf s LEU 65 Cb -0.12 -0.24 -0.09 0.00 0.03 0.00 0.00 46.19 45.77 3gaf s LEU 65 CO 0.10 -0.25 1.10 -0.70 0.23 0.00 0.00 176.35 176.84 3gaf s GLU 66 N -2.36 4.62 -0.20 1.70 2.12 -1.26 -1.75 118.70 121.57 3gaf s GLU 66 Ca -0.00 1.77 -0.07 0.00 0.36 0.00 0.00 54.97 57.02 3gaf s GLU 66 Cb -0.05 -3.23 0.09 0.00 0.26 0.00 0.00 34.13 31.20 3gaf s GLU 66 CO -0.00 0.14 0.43 0.00 -0.54 0.00 0.00 175.26 175.29 3gaf s ASN 68 N 2.49 6.35 0.45 0.00 3.84 -1.26 -3.45 114.94 123.36 3gaf s ASN 68 Ca -0.03 0.01 0.30 0.00 0.21 0.00 0.00 52.86 53.34 3gaf s ASN 68 Cb -0.12 -2.29 1.13 0.00 -0.55 0.00 0.00 41.25 39.43 3gaf s ASN 68 CO -0.13 -0.52 1.86 -0.37 -2.79 0.00 0.00 177.10 175.15 3gaf h VAL 69 N 5.64 0.00 -0.00 -5.21 -1.51 -1.96 -2.19 116.25 111.02 3gaf h VAL 69 Ca -0.27 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 3gaf h VAL 69 Cb 1.12 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 3gaf h VAL 69 CO 0.79 0.00 -0.02 0.35 -1.23 0.00 0.00 177.57 177.47 3gaf n THR 70 N -2.83 0.00 -3.55 7.19 -2.24 -1.26 -4.69 114.28 106.89 3gaf n THR 70 Ca 0.02 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3gaf n THR 70 Cb 0.32 -0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.35 5.92 0.45 3.42 -1.08 -0.82 -5.00 116.67 117.21 3gaf s ASP 71 Ca 0.36 -0.57 0.17 0.00 -0.52 0.00 0.00 52.55 51.98 3gaf s ASP 71 Cb 0.21 -2.10 1.10 0.00 -1.46 0.00 0.00 42.92 40.67 3gaf s ASP 71 CO 0.43 -0.27 1.95 -0.08 0.52 0.00 0.00 175.17 177.72 3gaf h GLU 72 N 8.48 0.34 0.01 4.34 4.57 -1.86 -1.48 114.58 128.98 3gaf h GLU 72 Ca -0.30 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 57.64 3gaf h GLU 72 Cb 1.14 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3gaf h GLU 72 CO 0.65 0.22 -0.93 1.96 -1.18 0.00 0.00 179.01 179.73 3gaf h GLN 73 N 0.35 0.30 -0.26 1.92 7.50 -1.94 -1.66 115.11 121.32 3gaf h GLN 73 Ca 0.32 -0.34 -0.03 0.00 0.50 0.00 0.00 58.65 59.11 3gaf h GLN 73 Cb 0.77 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.39 3gaf h GLN 73 CO -0.09 1.04 0.05 0.45 -1.50 0.00 0.00 178.83 178.79 3gaf h HIS 74 N 0.16 0.44 0.41 2.96 3.86 -1.65 -1.38 115.15 119.96 3gaf h HIS 74 Ca -0.07 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3gaf h HIS 74 Cb 1.57 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.90 3gaf h HIS 74 CO 0.05 0.52 -0.47 0.00 0.86 0.00 0.00 177.93 178.89 3gaf h ARG 75 N 0.24 -0.86 -0.89 2.45 3.08 -1.30 -1.63 114.38 115.47 3gaf h ARG 75 Ca 0.08 0.06 0.24 0.00 0.07 0.00 0.00 59.98 60.42 3gaf h ARG 75 Cb 0.31 0.19 -0.14 0.00 0.08 0.00 0.00 29.97 30.41 3gaf h ARG 75 CO 0.00 -0.57 0.30 0.93 -1.07 0.00 0.00 179.97 179.56 3gaf h GLU 76 N -0.89 0.25 -0.52 0.04 5.08 -1.30 -1.31 114.58 115.94 3gaf h GLU 76 Ca -0.05 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3gaf h GLU 76 Cb 0.78 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3gaf h GLU 76 CO -0.08 0.17 -0.05 0.00 -1.00 0.00 0.00 179.01 178.05 3gaf h ALA 77 N 1.77 0.94 -0.65 3.43 0.00 -0.94 -1.82 119.26 121.98 3gaf h ALA 77 Ca 0.57 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3gaf h ALA 77 Cb 1.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3gaf h ALA 77 CO -0.62 0.63 0.24 0.28 0.00 0.00 0.00 179.25 179.79 3gaf h VAL 78 N 0.83 1.24 -0.08 0.00 2.07 -0.28 0.36 116.25 120.40 3gaf h VAL 78 Ca 0.15 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3gaf h VAL 78 Cb 0.56 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3gaf h VAL 78 CO 0.03 0.31 0.05 0.40 0.02 0.00 0.00 177.57 178.38 3gaf h ILE 79 N 0.93 1.03 -0.19 4.57 1.08 -1.28 -2.19 117.51 121.45 3gaf h ILE 79 Ca 0.22 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.64 3gaf h ILE 79 Cb 0.23 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 3gaf h ILE 79 CO -0.01 0.03 0.06 0.50 -0.69 0.00 0.00 178.15 178.03 3gaf h LYS 80 N 0.10 0.14 -0.55 2.37 3.64 -1.01 -2.53 116.57 118.74 3gaf h LYS 80 Ca 0.03 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3gaf h LYS 80 Cb -0.00 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 3gaf h LYS 80 CO -0.01 0.10 0.24 0.00 -2.27 0.00 0.00 179.45 177.51 3gaf h ALA 81 N 1.13 0.70 -0.05 5.00 0.00 -0.21 0.44 119.26 126.27 3gaf h ALA 81 Ca 0.08 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3gaf h ALA 81 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gaf h ALA 81 CO -0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 179.25 178.99 3gaf h ALA 82 N 1.33 0.02 -0.18 0.00 0.00 -1.26 -1.18 119.26 117.99 3gaf h ALA 82 Ca 0.26 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3gaf h ALA 82 Cb 0.23 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gaf h ALA 82 CO -0.22 -0.51 0.12 -0.07 0.00 0.00 0.00 179.25 178.57 3gaf h LEU 83 N -0.03 0.21 -0.84 0.00 3.38 -1.15 0.11 115.31 116.97 3gaf h LEU 83 Ca 0.03 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3gaf h LEU 83 Cb 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3gaf h LEU 83 CO -0.08 0.15 -0.17 0.44 0.09 0.00 0.00 178.44 178.87 3gaf h ASP 84 N 0.24 0.67 0.38 -0.43 3.32 -0.81 0.13 116.42 119.92 3gaf h ASP 84 Ca 0.07 -0.21 -0.32 0.00 0.02 0.00 0.00 57.03 56.58 3gaf h ASP 84 Cb -0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3gaf h ASP 84 CO -0.01 0.85 -1.68 -0.61 -1.72 0.00 0.00 179.24 176.06 3gaf h GLN 85 N 0.60 0.21 0.00 3.56 5.75 -1.13 -3.41 115.11 120.68 3gaf h GLN 85 Ca 0.10 -0.35 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 3gaf h GLN 85 Cb 0.63 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.31 3gaf h GLN 85 CO 0.04 1.02 0.00 1.19 -2.65 0.00 0.00 178.83 178.44 3gaf n PHE 86 N -3.38 0.00 0.00 3.99 3.72 0.36 -5.05 117.46 117.10 3gaf n PHE 86 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 3gaf n PHE 86 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.46 3.22 3.79 1.37 0.00 0.46 -4.97 105.19 109.53 3gaf n GLY 87 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.67 1.36 -0.09 1.61 -2.85 -1.26 -4.92 119.74 112.92 3gaf s LYS 88 Ca 0.00 -0.78 0.02 0.00 -1.00 0.00 0.00 55.97 54.21 3gaf s LYS 88 Cb 0.00 0.44 0.02 0.00 -2.06 0.00 0.00 37.83 36.23 3gaf s LYS 88 CO 0.00 -0.62 -0.12 0.42 0.10 0.00 0.00 175.35 175.12 3gaf s ILE 89 N -3.18 1.23 -0.02 3.79 1.01 -1.26 -4.43 121.20 118.33 3gaf s ILE 89 Ca 0.13 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3gaf s ILE 89 Cb -0.02 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 3gaf s ILE 89 CO 0.04 0.38 -0.01 0.35 0.00 0.00 0.00 174.94 175.71 3gaf n THR 90 N 4.12 0.14 -4.95 2.92 -2.24 -0.15 -3.47 114.28 110.64 3gaf n THR 90 Ca -0.20 -0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.22 3gaf n THR 90 Cb 0.51 -0.78 -0.17 0.00 -2.10 0.00 0.00 70.33 67.80 3gaf n THR 90 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gaf s VAL 91 N -2.05 1.64 -0.20 2.28 1.01 -0.32 -1.03 120.40 121.74 3gaf s VAL 91 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3gaf s VAL 91 Cb 0.01 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.99 3gaf s VAL 91 CO 0.07 0.47 -0.14 -0.22 0.00 0.00 0.00 175.10 175.28 3gaf s LEU 92 N 0.30 2.35 -0.42 3.92 2.96 -0.59 -1.06 118.68 126.15 3gaf s LEU 92 Ca -0.12 -0.85 -0.13 0.00 -0.22 0.00 0.00 54.13 52.80 3gaf s LEU 92 Cb -0.15 -1.34 0.05 0.00 0.50 0.00 0.00 46.19 45.24 3gaf s LEU 92 CO 0.05 -0.10 0.29 -0.69 -1.32 0.00 0.00 176.35 174.58 3gaf s VAL 93 N 1.33 4.87 -0.86 1.68 1.01 0.66 -0.87 120.40 128.23 3gaf s VAL 93 Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 3gaf s VAL 93 Cb -0.15 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.49 3gaf s VAL 93 CO -0.09 -0.39 1.20 0.20 0.00 0.00 0.00 175.10 176.02 3gaf s ASN 94 N 1.96 6.40 -0.02 3.32 0.02 0.22 -2.27 114.94 124.57 3gaf s ASN 94 Ca 0.03 -1.35 0.11 0.00 -1.02 0.00 0.00 52.86 50.63 3gaf s ASN 94 Cb -0.21 -2.48 -0.16 0.00 0.02 0.00 0.00 41.25 38.42 3gaf s ASN 94 CO 0.07 -1.41 0.22 -3.20 0.02 0.00 0.00 177.10 172.80 3gaf n ASN 95 N 7.96 2.53 -4.77 -1.22 5.15 -1.26 -0.18 115.26 123.47 3gaf n ASN 95 Ca 0.16 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.76 3gaf n ASN 95 Cb 0.49 1.44 -0.01 0.00 -0.53 0.00 0.00 39.78 41.16 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 -2.71 3.15 0.00 5.20 0.00 -1.24 -4.79 121.76 121.36 3gaf s ALA 96 Ca -0.04 1.07 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3gaf s ALA 96 Cb 0.07 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3gaf s ALA 96 CO 0.45 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3gaf n GLY 97 N 0.63 -2.20 0.00 0.00 0.00 -1.26 -4.89 105.19 97.47 3gaf n GLY 97 Ca 0.05 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.55 -0.75 1.70 -0.02 0.00 -1.26 -5.03 105.19 99.28 3gaf n GLY 98 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.99 0.00 -0.02 0.00 -1.26 -4.82 105.19 97.09 3gaf n GLY 99 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.03 -0.51 3.63 -0.02 0.00 -1.26 -5.09 105.19 101.91 3gaf n GLY 100 Ca 0.00 -0.98 -0.46 0.00 0.00 0.00 0.00 46.02 44.58 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 1.68 -3.78 1.61 -0.02 -1.26 -4.54 135.00 128.69 3gaf n PRO 101 Ca 0.00 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 3gaf n PRO 101 Cb 0.00 -2.19 -0.09 0.00 -0.02 0.00 0.00 33.50 31.20 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 -0.42 0.60 0.59 -0.52 1.02 -0.30 -5.05 119.74 115.66 3gaf s LYS 102 Ca 0.70 -0.14 -0.17 0.00 0.02 0.00 0.00 55.97 56.38 3gaf s LYS 102 Cb -0.73 0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 36.81 3gaf s LYS 102 CO 0.51 -0.15 1.12 -1.25 -0.92 0.00 0.00 175.35 174.65 3gaf s PRO 103 N -1.13 3.12 0.49 -1.68 0.04 -1.26 -4.26 135.00 130.32 3gaf s PRO 103 Ca -0.12 1.50 0.29 0.00 0.04 0.00 0.00 61.00 62.72 3gaf s PRO 103 Cb -0.05 -1.98 1.38 0.00 0.04 0.00 0.00 34.50 33.88 3gaf s PRO 103 CO 0.03 -1.01 1.79 0.35 0.04 0.00 0.00 177.00 178.20 3gaf h PHE 104 N 0.68 0.26 -0.47 0.56 3.57 -2.00 -1.35 116.94 118.19 3gaf h PHE 104 Ca -0.49 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 3gaf h PHE 104 Cb 1.25 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 3gaf h PHE 104 CO 0.53 0.02 0.03 -0.40 -2.23 0.00 0.00 178.31 176.26 3gaf n ASP 105 N -4.37 4.68 -4.53 0.41 5.75 -1.26 -4.96 116.55 112.27 3gaf n ASP 105 Ca 0.25 -2.77 -0.36 0.00 -0.01 0.00 0.00 54.79 51.91 3gaf n ASP 105 Cb 1.10 -0.66 0.08 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.42 0.39 -1.96 0.11 0.00 -0.51 -4.95 117.12 110.61 3gaf n MET 106 Ca 0.23 0.18 -0.36 0.00 0.00 0.00 0.00 57.70 57.75 3gaf n MET 106 Cb 1.03 -2.00 0.04 0.00 0.00 0.00 0.00 33.22 32.28 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 -3.00 2.91 0.30 3.17 0.04 -1.26 -4.90 135.00 132.26 3gaf s PRO 107 Ca 0.69 1.88 -0.00 0.00 0.04 0.00 0.00 61.00 63.61 3gaf s PRO 107 Cb -0.35 -1.93 0.50 0.00 0.04 0.00 0.00 34.50 32.77 3gaf s PRO 107 CO 0.54 -1.27 1.92 0.52 0.04 0.00 0.00 177.00 178.76 3gaf h MET 108 N 0.86 1.03 -0.97 4.56 2.86 -2.00 -0.12 114.93 121.14 3gaf h MET 108 Ca -0.51 -0.06 0.20 0.00 -2.06 0.00 0.00 59.70 57.27 3gaf h MET 108 Cb 1.30 -0.23 -0.11 0.00 0.06 0.00 0.00 31.60 32.62 3gaf h MET 108 CO 0.55 0.68 0.56 0.66 1.06 0.00 0.00 176.91 180.42 3gaf h SER 109 N 1.06 0.67 -0.25 1.22 4.64 -1.99 0.59 113.55 119.49 3gaf h SER 109 Ca 0.37 0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 61.64 3gaf h SER 109 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3gaf h SER 109 CO -0.13 0.20 -0.46 0.44 -0.87 0.00 0.00 176.83 176.01 3gaf h ASP 110 N 0.66 0.89 -0.41 4.97 5.19 -1.39 -2.01 116.42 124.32 3gaf h ASP 110 Ca 0.58 -0.44 -0.09 0.00 -0.62 0.00 0.00 57.03 56.46 3gaf h ASP 110 Cb 0.96 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 3gaf h ASP 110 CO -0.42 1.21 -0.10 0.15 -3.12 0.00 0.00 179.24 176.96 3gaf h PHE 111 N 0.66 0.90 -0.19 4.55 3.57 -0.93 -2.94 116.94 122.55 3gaf h PHE 111 Ca 0.04 -0.19 -0.14 0.00 3.53 0.00 0.00 57.97 61.21 3gaf h PHE 111 Cb 1.04 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3gaf h PHE 111 CO 0.06 0.92 -0.46 0.93 -2.23 0.00 0.00 178.31 177.52 3gaf h GLU 112 N 0.62 0.49 -0.56 1.11 5.08 -0.98 -3.06 114.58 117.29 3gaf h GLU 112 Ca 0.10 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3gaf h GLU 112 Cb 0.63 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3gaf h GLU 112 CO 0.04 0.85 0.29 2.35 -1.00 0.00 0.00 179.01 181.55 3gaf h TRP 113 N 0.39 0.75 -0.62 4.33 2.91 -1.28 -1.79 115.95 120.65 3gaf h TRP 113 Ca 0.02 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.06 3gaf h TRP 113 Cb 0.96 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.34 3gaf h TRP 113 CO 0.03 0.53 0.41 0.00 -1.03 0.00 0.00 178.44 178.38 3gaf h ALA 114 N 1.55 1.66 -0.00 2.65 0.00 -1.40 0.88 119.26 124.59 3gaf h ALA 114 Ca 0.20 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 3gaf h ALA 114 Cb 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.64 3gaf h ALA 114 CO -0.03 0.28 -0.79 0.74 0.00 0.00 0.00 179.25 179.45 3gaf h PHE 115 N 0.74 0.80 -0.23 0.00 0.04 -1.46 0.20 116.94 117.03 3gaf h PHE 115 Ca 0.24 -0.43 -0.00 0.00 2.80 0.00 0.00 57.97 60.58 3gaf h PHE 115 Cb 0.06 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3gaf h PHE 115 CO -0.00 1.26 0.13 0.87 -0.60 0.00 0.00 178.31 179.98 3gaf h LYS 116 N 0.11 0.32 -0.04 1.51 1.79 -1.12 0.42 116.57 119.57 3gaf h LYS 116 Ca -0.10 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 3gaf h LYS 116 Cb 1.48 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 32.06 3gaf h LYS 116 CO 0.16 0.27 -0.06 1.25 -1.08 0.00 0.00 179.45 179.99 3gaf h LEU 117 N 0.28 0.11 0.00 2.94 5.85 -0.90 -2.59 115.31 121.00 3gaf h LEU 117 Ca 0.08 -0.54 -0.13 0.00 0.84 0.00 0.00 57.88 58.13 3gaf h LEU 117 Cb 0.03 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3gaf h LEU 117 CO -0.01 0.63 -1.19 0.78 -0.34 0.00 0.00 178.44 178.30 3gaf h ASN 118 N -0.40 0.00 0.00 1.25 2.35 -0.60 -3.41 115.58 114.76 3gaf h ASN 118 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gaf h ASN 118 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 3gaf h ASN 118 CO 0.01 0.49 -0.41 -0.11 -1.65 0.00 0.00 177.43 175.76 3gaf n LEU 119 N -2.93 0.53 -0.23 1.61 7.94 0.44 -4.64 117.00 119.72 3gaf n LEU 119 Ca -0.06 0.10 -0.01 0.00 -1.11 0.00 0.00 56.01 54.92 3gaf n LEU 119 Cb 0.78 -0.14 0.20 0.00 0.53 0.00 0.00 43.42 44.80 3gaf n LEU 119 CO 0.42 -0.44 1.19 -0.26 -1.11 0.00 0.00 177.39 177.19 3gaf h PHE 120 N 0.00 1.00 -0.23 1.96 0.04 -0.37 -1.32 116.94 118.02 3gaf h PHE 120 Ca 0.00 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3gaf h PHE 120 Cb 0.41 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3gaf h PHE 120 CO 0.00 0.68 0.08 0.66 -0.60 0.00 0.00 178.31 179.12 3gaf h SER 121 N 1.05 0.33 1.06 2.17 4.64 -1.68 -1.06 113.55 120.05 3gaf h SER 121 Ca 0.27 -0.20 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 3gaf h SER 121 Cb -0.02 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 3gaf h SER 121 CO -0.05 0.44 -0.55 0.17 -0.87 0.00 0.00 176.83 175.97 3gaf h LEU 122 N 0.21 0.00 -0.20 5.97 8.10 -1.78 -1.52 115.31 126.09 3gaf h LEU 122 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.04 3gaf h LEU 122 Cb 0.22 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 3gaf h LEU 122 CO -0.00 0.55 0.04 0.15 -4.11 0.00 0.00 178.44 175.06 3gaf h PHE 123 N 0.00 0.34 -0.18 0.17 3.57 -1.11 -1.99 116.94 117.74 3gaf h PHE 123 Ca -0.01 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 3gaf h PHE 123 Cb 1.22 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 3gaf h PHE 123 CO 0.00 0.45 0.10 -0.09 -2.23 0.00 0.00 178.31 176.54 3gaf h ARG 124 N 0.13 0.25 0.00 1.11 9.65 -1.10 -1.15 114.38 123.26 3gaf h ARG 124 Ca 0.06 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3gaf h ARG 124 Cb 0.29 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3gaf h ARG 124 CO 0.00 0.25 -0.08 1.25 2.80 0.00 0.00 179.97 184.19 3gaf h LEU 125 N 0.19 0.00 -0.14 3.80 5.85 -1.33 -0.09 115.31 123.58 3gaf h LEU 125 Ca 0.06 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 3gaf h LEU 125 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3gaf h LEU 125 CO -0.01 0.08 -0.33 0.28 -0.34 0.00 0.00 178.44 178.12 3gaf h SER 126 N 0.00 0.54 -0.17 1.25 0.02 -1.03 -2.49 113.55 111.66 3gaf h SER 126 Ca -0.00 -0.57 0.05 0.00 -0.84 0.00 0.00 61.79 60.42 3gaf h SER 126 Cb 0.14 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.48 3gaf h SER 126 CO 0.01 1.01 -0.13 1.56 -1.14 0.00 0.00 176.83 178.14 3gaf h GLN 127 N 0.09 -0.13 -0.53 3.45 4.20 -0.36 -1.29 115.11 120.53 3gaf h GLN 127 Ca -0.00 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3gaf h GLN 127 Cb 0.93 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 3gaf h GLN 127 CO 0.07 -0.09 0.19 -0.07 -0.67 0.00 0.00 178.83 178.26 3gaf h LEU 128 N -0.14 0.71 0.00 1.46 3.38 -1.09 -3.17 115.31 116.47 3gaf h LEU 128 Ca 0.11 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3gaf h LEU 128 Cb 0.29 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3gaf h LEU 128 CO -0.26 0.66 -1.15 0.00 0.09 0.00 0.00 178.44 177.79 3gaf h ALA 129 N 1.44 0.64 -0.46 1.53 0.00 -1.26 -3.40 119.26 117.75 3gaf h ALA 129 Ca 0.18 -0.78 0.01 0.00 0.00 0.00 0.00 54.91 54.32 3gaf h ALA 129 Cb 0.19 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3gaf h ALA 129 CO -0.01 0.90 0.29 0.00 0.00 0.00 0.00 179.25 180.43 3gaf h ALA 130 N 1.38 0.59 -0.98 0.00 0.00 -1.20 -2.08 119.26 116.97 3gaf h ALA 130 Ca -0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3gaf h ALA 130 Cb 1.57 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 3gaf h ALA 130 CO 0.06 -0.01 0.64 -1.35 0.00 0.00 0.00 179.25 178.60 3gaf h PRO 131 N 0.58 1.26 -0.52 0.00 0.11 -1.77 0.39 132.00 132.04 3gaf h PRO 131 Ca 0.18 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 3gaf h PRO 131 Cb -0.02 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 30.78 3gaf h PRO 131 CO -0.06 0.83 0.11 0.45 -0.21 0.00 0.00 178.00 179.12 3gaf h HIS 132 N 1.30 0.90 -0.73 0.65 3.86 -1.76 -1.26 115.15 118.10 3gaf h HIS 132 Ca 0.37 -0.11 0.06 0.00 -1.16 0.00 0.00 60.37 59.52 3gaf h HIS 132 Cb -0.11 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.06 3gaf h HIS 132 CO -0.00 0.79 0.43 0.52 0.86 0.00 0.00 177.93 180.53 3gaf h MET 133 N 0.74 0.77 -0.08 2.45 2.86 -0.89 0.36 114.93 121.14 3gaf h MET 133 Ca 0.16 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3gaf h MET 133 Cb 0.36 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3gaf h MET 133 CO 0.00 0.51 0.05 0.37 1.06 0.00 0.00 176.91 178.90 3gaf h GLN 134 N 0.79 0.11 -0.64 1.72 4.15 -0.67 -1.04 115.11 119.53 3gaf h GLN 134 Ca 0.32 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.83 3gaf h GLN 134 Cb 0.18 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.77 3gaf h GLN 134 CO -0.18 0.10 0.28 0.87 -1.93 0.00 0.00 178.83 177.97 3gaf h LYS 135 N 0.08 0.47 0.00 1.69 1.57 -0.65 0.06 116.57 119.79 3gaf h LYS 135 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gaf h LYS 135 Cb 0.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3gaf h LYS 135 CO -0.01 0.31 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 3gaf n ALA 136 N -2.43 2.03 -1.12 3.86 0.00 0.06 -4.84 120.51 118.06 3gaf n ALA 136 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 3gaf n ALA 136 Cb 0.26 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.05 0.71 0.00 0.00 0.00 0.01 -4.94 105.19 100.92 3gaf n GLY 137 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.35 4.19 3.54 -0.02 0.00 -0.42 -4.99 105.19 105.13 3gaf n GLY 138 Ca -0.04 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 0.43 -0.09 -0.02 0.00 -0.91 -4.72 107.32 102.01 3gaf s GLY 139 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 43.97 3gaf s GLY 139 CO 0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 173.10 172.33 3gaf s ALA 140 N -3.99 1.73 -0.13 3.20 0.00 -0.19 -1.45 121.76 120.93 3gaf s ALA 140 Ca 0.19 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 3gaf s ALA 140 Cb -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3gaf s ALA 140 CO 0.06 0.10 -0.01 0.42 0.00 0.00 0.00 175.76 176.32 3gaf s ILE 141 N 0.68 4.17 -0.08 0.00 1.01 0.20 -1.54 121.20 125.64 3gaf s ILE 141 Ca -0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 3gaf s ILE 141 Cb -0.16 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.53 3gaf s ILE 141 CO 0.03 0.54 -0.05 -0.22 0.00 0.00 0.00 174.94 175.24 3gaf s LEU 142 N -0.19 1.11 -0.20 2.97 2.96 -0.05 -1.45 118.68 123.83 3gaf s LEU 142 Ca 0.05 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 3gaf s LEU 142 Cb -0.13 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 3gaf s LEU 142 CO 0.02 -0.11 0.08 0.20 -1.32 0.00 0.00 176.35 175.22 3gaf s ASN 143 N 1.47 5.65 -0.45 3.68 0.01 -0.25 0.72 114.94 125.78 3gaf s ASN 143 Ca -0.01 0.06 -0.22 0.00 -0.71 0.00 0.00 52.86 51.98 3gaf s ASN 143 Cb -0.13 -1.98 0.03 0.00 0.41 0.00 0.00 41.25 39.57 3gaf s ASN 143 CO -0.04 0.14 0.73 -0.63 -1.51 0.00 0.00 177.10 175.78 3gaf s ILE 144 N 0.60 4.72 0.00 0.60 -1.09 0.75 -1.46 121.20 125.32 3gaf s ILE 144 Ca 0.04 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 3gaf s ILE 144 Cb -0.13 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.47 3gaf s ILE 144 CO 0.01 -0.69 0.00 -0.24 -1.23 0.00 0.00 174.94 172.79 3gaf n SER 145 N 6.53 0.00 -3.95 3.58 2.88 0.58 -4.83 113.62 118.42 3gaf n SER 145 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3gaf n SER 145 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.21 0.58 -3.46 0.15 -1.26 -4.43 113.70 104.50 3gaf s SER 146 Ca 0.00 -0.57 0.28 0.00 0.70 0.00 0.00 55.95 56.36 3gaf s SER 146 Cb 0.00 0.21 1.76 0.00 -1.71 0.00 0.00 66.02 66.27 3gaf s SER 146 CO 0.00 -0.49 2.24 0.24 1.20 0.00 0.00 173.24 176.43 3gaf h MET 147 N 3.74 0.00 -0.00 5.44 2.86 -1.84 -2.70 114.93 122.43 3gaf h MET 147 Ca -0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3gaf h MET 147 Cb 1.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 3gaf h MET 147 CO 0.51 0.00 0.07 0.00 1.06 0.00 0.00 176.91 178.55 3gaf h ALA 148 N 2.00 1.09 0.00 6.32 0.00 -1.93 -0.71 119.26 126.03 3gaf h ALA 148 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gaf h ALA 148 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gaf h ALA 148 CO 0.00 -0.07 0.00 0.78 0.00 0.00 0.00 179.25 179.96 3gaf h GLY 149 N 0.00 0.00 0.00 0.00 0.00 -1.65 -3.30 103.07 98.12 3gaf h GLY 149 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3gaf h GLY 149 CO -0.00 0.00 -1.35 1.18 0.00 0.00 0.00 176.54 176.37 3gaf n GLU 150 N -2.67 3.04 -2.28 4.80 1.02 -0.63 -4.21 120.64 119.71 3gaf n GLU 150 Ca 0.03 -0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.91 3gaf n GLU 150 Cb 0.36 -1.13 0.09 0.00 -0.02 0.00 0.00 31.44 30.74 3gaf n GLU 150 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3gaf s ASN 151 N -3.59 4.55 -0.01 1.62 0.01 -0.37 -5.10 114.94 112.05 3gaf s ASN 151 Ca -0.03 0.23 0.02 0.00 -0.71 0.00 0.00 52.86 52.38 3gaf s ASN 151 Cb 0.02 -0.77 -0.00 0.00 0.41 0.00 0.00 41.25 40.90 3gaf s ASN 151 CO 0.21 -1.75 -0.07 0.42 -1.51 0.00 0.00 177.10 174.40 3gaf s THR 152 N -3.26 0.55 0.04 1.60 -4.23 -1.26 -4.82 115.64 104.26 3gaf s THR 152 Ca 0.63 -0.28 -0.28 0.00 -1.18 0.00 0.00 61.69 60.57 3gaf s THR 152 Cb -0.09 -0.47 0.10 0.00 1.34 0.00 0.00 72.50 73.37 3gaf s THR 152 CO 0.45 0.16 1.12 0.21 -0.54 0.00 0.00 174.62 176.02 3gaf s ASN 153 N -0.06 -0.13 0.75 3.99 3.84 -1.26 -5.14 114.94 116.92 3gaf s ASN 153 Ca 0.01 -0.23 -0.14 0.00 0.21 0.00 0.00 52.86 52.71 3gaf s ASN 153 Cb -0.04 0.31 0.05 0.00 -0.55 0.00 0.00 41.25 41.02 3gaf s ASN 153 CO -0.00 -0.57 1.17 0.68 -2.79 0.00 0.00 177.10 175.59 3gaf s VAL 154 N -2.83 2.53 -1.99 -5.21 -7.23 -1.26 -3.67 120.40 100.74 3gaf s VAL 154 Ca 0.12 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 3gaf s VAL 154 Cb 0.01 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.24 3gaf s VAL 154 CO -0.02 -0.16 0.00 0.54 -0.31 0.00 0.00 175.10 175.15 3gaf n ARG 155 N -2.94 -1.35 -0.24 4.82 1.74 -1.26 -4.86 116.66 112.57 3gaf n ARG 155 Ca 0.12 1.15 0.08 0.00 -0.77 0.00 0.00 57.85 58.43 3gaf n ARG 155 Cb 0.51 -5.48 0.18 0.00 -1.02 0.00 0.00 32.46 26.65 3gaf n ARG 155 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3gaf n MET 156 N -2.48 2.41 0.07 5.56 2.81 -1.24 -1.15 117.12 123.10 3gaf n MET 156 Ca -0.19 -2.50 -0.13 0.00 -1.81 0.00 0.00 57.70 53.06 3gaf n MET 156 Cb 0.63 -1.57 -0.06 0.00 -0.71 0.00 0.00 33.22 31.51 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 1.07 -0.62 0.19 3.04 0.00 -1.86 0.87 119.26 121.95 3gaf h ALA 157 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 3gaf h ALA 157 Cb 1.10 0.69 0.02 0.00 0.00 0.00 0.00 17.79 19.61 3gaf h ALA 157 CO 0.10 -0.93 -1.24 0.66 0.00 0.00 0.00 179.25 177.84 3gaf h SER 158 N -0.56 0.61 -0.07 0.00 4.64 -1.91 -3.12 113.55 113.15 3gaf h SER 158 Ca 0.05 -0.93 -0.04 0.00 -0.47 0.00 0.00 61.79 60.40 3gaf h SER 158 Cb 0.63 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3gaf h SER 158 CO -0.30 1.59 -0.11 0.22 -0.87 0.00 0.00 176.83 177.36 3gaf h TYR 159 N -0.12 0.24 0.14 4.77 3.20 -1.79 -2.11 116.97 121.29 3gaf h TYR 159 Ca -0.23 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.55 3gaf h TYR 159 Cb 1.90 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.13 3gaf h TYR 159 CO 0.15 0.69 -0.07 0.78 -1.64 0.00 0.00 178.16 178.08 3gaf h GLY 160 N -0.28 -0.19 1.18 1.82 0.00 -1.00 -2.41 103.07 102.20 3gaf h GLY 160 Ca 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3gaf h GLY 160 CO 0.02 -0.07 0.34 1.48 0.00 0.00 0.00 176.54 178.32 3gaf h SER 161 N -0.43 0.95 -0.16 0.19 4.64 -1.61 -1.28 113.55 115.86 3gaf h SER 161 Ca -0.02 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 3gaf h SER 161 Cb 0.35 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3gaf h SER 161 CO 0.03 0.81 -0.09 0.77 -0.87 0.00 0.00 176.83 177.48 3gaf h SER 162 N 1.04 0.48 1.24 4.97 4.64 -1.37 -2.04 113.55 122.50 3gaf h SER 162 Ca 0.25 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.34 3gaf h SER 162 Cb 0.12 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3gaf h SER 162 CO -0.03 0.61 -0.55 0.11 -0.87 0.00 0.00 176.83 176.10 3gaf h LYS 163 N 0.46 0.00 -0.07 4.77 1.79 -0.94 -2.32 116.57 120.26 3gaf h LYS 163 Ca 0.09 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.42 3gaf h LYS 163 Cb 0.45 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3gaf h LYS 163 CO 0.02 0.55 -0.57 0.00 -1.08 0.00 0.00 179.45 178.37 3gaf h ALA 164 N 1.45 0.90 -0.29 3.86 0.00 -1.00 -2.23 119.26 121.96 3gaf h ALA 164 Ca -0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 3gaf h ALA 164 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3gaf h ALA 164 CO 0.07 0.71 -0.24 0.00 0.00 0.00 0.00 179.25 179.79 3gaf h ALA 165 N 1.24 0.41 -0.19 0.00 0.00 -1.25 -1.67 119.26 117.80 3gaf h ALA 165 Ca -0.00 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.59 3gaf h ALA 165 Cb 1.05 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3gaf h ALA 165 CO 0.09 0.38 -0.24 0.28 0.00 0.00 0.00 179.25 179.76 3gaf h VAL 166 N 0.40 0.40 -0.40 0.00 2.07 -1.38 0.19 116.25 117.54 3gaf h VAL 166 Ca 0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.65 3gaf h VAL 166 Cb 0.79 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3gaf h VAL 166 CO 0.06 0.00 -0.05 0.78 0.02 0.00 0.00 177.57 178.38 3gaf h ASN 167 N -0.28 -0.27 0.85 0.57 4.21 -1.35 -0.84 115.58 118.47 3gaf h ASN 167 Ca 0.12 0.11 -0.21 0.00 1.21 0.00 0.00 56.30 57.53 3gaf h ASN 167 Cb 0.46 0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.85 3gaf h ASN 167 CO -0.35 -0.09 -0.97 -0.74 -1.29 0.00 0.00 177.43 173.99 3gaf h HIS 168 N 0.05 0.11 -0.57 1.19 2.76 -1.08 -2.71 115.15 114.90 3gaf h HIS 168 Ca 0.20 -0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 3gaf h HIS 168 Cb 0.29 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 3gaf h HIS 168 CO -0.31 0.99 0.33 1.25 -1.30 0.00 0.00 177.93 178.89 3gaf h LEU 169 N 0.03 0.53 -0.55 0.26 5.85 -0.47 -0.86 115.31 120.10 3gaf h LEU 169 Ca -0.03 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.80 3gaf h LEU 169 Cb 1.68 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.53 3gaf h LEU 169 CO 0.13 0.37 0.08 0.74 -0.34 0.00 0.00 178.44 179.42 3gaf h THR 170 N 0.65 0.64 -0.50 1.05 2.02 -0.94 0.04 112.91 115.88 3gaf h THR 170 Ca 0.23 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 3gaf h THR 170 Cb 0.05 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 3gaf h THR 170 CO -0.12 0.04 0.06 0.03 0.37 0.00 0.00 175.52 175.91 3gaf h ARG 171 N 0.21 0.84 0.00 6.66 3.08 -1.16 -2.88 114.38 121.13 3gaf h ARG 171 Ca 0.28 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3gaf h ARG 171 Cb 0.41 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3gaf h ARG 171 CO -0.39 0.84 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.35 3gaf h ASN 172 N 0.71 0.07 0.62 7.04 2.35 -0.86 -3.32 115.58 122.19 3gaf h ASN 172 Ca 0.15 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 3gaf h ASN 172 Cb 0.42 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3gaf h ASN 172 CO 0.01 0.90 0.00 0.16 -1.65 0.00 0.00 177.43 176.85 3gaf h ILE 173 N -0.75 0.00 -0.90 2.81 3.07 -1.11 -0.26 117.51 120.36 3gaf h ILE 173 Ca -0.01 -0.26 0.13 0.00 1.55 0.00 0.00 64.86 66.27 3gaf h ILE 173 Cb 0.92 1.07 -0.07 0.00 -0.27 0.00 0.00 36.82 38.47 3gaf h ILE 173 CO 0.02 0.00 0.58 0.00 -1.05 0.00 0.00 178.15 177.70 3gaf h ALA 174 N 2.10 1.75 -0.04 0.16 0.00 -1.60 -1.68 119.26 119.96 3gaf h ALA 174 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3gaf h ALA 174 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3gaf h ALA 174 CO 0.00 0.02 -0.45 0.74 0.00 0.00 0.00 179.25 179.56 3gaf h PHE 175 N 0.77 0.12 0.09 0.00 -1.00 -1.18 -1.53 116.94 114.21 3gaf h PHE 175 Ca 0.45 -0.03 -0.18 0.00 2.81 0.00 0.00 57.97 61.02 3gaf h PHE 175 Cb 0.63 -0.03 0.02 0.00 3.61 0.00 0.00 35.95 40.18 3gaf h PHE 175 CO -0.00 0.54 -0.74 -0.44 -1.61 0.00 0.00 178.31 176.05 3gaf h ASP 176 N 0.09 0.50 -0.02 2.17 3.45 -1.36 -3.36 116.42 117.88 3gaf h ASP 176 Ca 0.00 -0.88 0.00 0.00 0.43 0.00 0.00 57.03 56.58 3gaf h ASP 176 Cb 0.84 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3gaf h ASP 176 CO 0.06 1.33 -0.28 1.33 -1.57 0.00 0.00 179.24 180.11 3gaf n VAL 177 N -4.15 0.00 0.11 -1.35 0.24 -0.72 -4.34 118.33 108.11 3gaf n VAL 177 Ca -0.13 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 3gaf n VAL 177 Cb 0.77 1.35 -0.06 0.00 -1.47 0.00 0.00 33.84 34.43 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 4.72 -0.59 1.66 7.63 0.00 -1.32 -0.50 103.07 114.67 3gaf h GLY 178 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.73 3gaf h GLY 178 CO 0.00 -0.24 0.15 -2.55 0.00 0.00 0.00 176.54 173.90 3gaf h PRO 179 N -0.53 0.00 -0.00 4.80 0.11 -1.80 0.01 132.00 134.59 3gaf h PRO 179 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3gaf h PRO 179 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3gaf h PRO 179 CO -0.20 0.00 -0.06 -1.33 -0.21 0.00 0.00 178.00 176.20 3gaf n MET 180 N -3.27 0.24 -0.48 1.05 2.81 -0.78 -4.91 117.12 111.78 3gaf n MET 180 Ca -0.01 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 3gaf n MET 180 Cb 0.23 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 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 1.40 0.71 3.53 3.03 0.00 -0.01 -4.48 105.19 109.36 3gaf n GLY 181 Ca 0.10 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 3.88 -0.16 -0.61 1.01 -0.27 -2.13 121.20 120.92 3gaf s ILE 182 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 3gaf s ILE 182 Cb 0.00 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 3gaf s ILE 182 CO 0.00 0.52 0.17 -0.13 0.00 0.00 0.00 174.94 175.51 3gaf s ARG 183 N 0.02 4.00 -0.18 2.79 0.52 -0.53 -3.54 118.95 122.03 3gaf s ARG 183 Ca 0.00 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 3gaf s ARG 183 Cb -0.13 -3.35 0.02 0.00 0.52 0.00 0.00 34.95 32.00 3gaf s ARG 183 CO 0.03 0.43 -0.19 0.08 0.02 0.00 0.00 175.30 175.67 3gaf s VAL 184 N -0.03 1.98 0.32 3.52 1.01 -1.26 0.58 120.40 126.53 3gaf s VAL 184 Ca 0.12 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3gaf s VAL 184 Cb -0.12 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3gaf s VAL 184 CO 0.01 0.51 0.12 0.20 0.00 0.00 0.00 175.10 175.95 3gaf s ASN 185 N 1.32 1.89 0.03 3.32 0.01 -0.53 -0.12 114.94 120.86 3gaf s ASN 185 Ca 0.05 -1.52 -0.02 0.00 -0.71 0.00 0.00 52.86 50.66 3gaf s ASN 185 Cb -0.13 0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.80 3gaf s ASN 185 CO -0.12 -0.82 0.01 0.00 -1.51 0.00 0.00 177.10 174.65 3gaf s ALA 186 N -3.49 0.13 -0.07 0.60 0.00 0.23 -1.09 121.76 118.08 3gaf s ALA 186 Ca 0.34 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.67 3gaf s ALA 186 Cb 0.06 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 3gaf s ALA 186 CO 0.16 -0.24 -0.23 0.42 0.00 0.00 0.00 175.76 175.87 3gaf s ILE 187 N -2.19 1.92 -0.42 0.00 1.01 -0.54 -0.34 121.20 120.64 3gaf s ILE 187 Ca -0.09 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 3gaf s ILE 187 Cb -0.04 -1.64 0.09 0.00 0.01 0.00 0.00 42.46 40.88 3gaf s ILE 187 CO -0.03 0.53 0.26 0.00 0.00 0.00 0.00 174.94 175.70 3gaf s ALA 188 N 0.02 3.28 0.21 9.38 0.00 -0.40 -0.30 121.76 133.95 3gaf s ALA 188 Ca -0.08 -2.25 -0.18 0.00 0.00 0.00 0.00 51.96 49.45 3gaf s ALA 188 Cb -0.14 -2.64 -0.08 0.00 0.00 0.00 0.00 23.12 20.26 3gaf s ALA 188 CO 0.05 -1.70 0.69 -1.25 0.00 0.00 0.00 175.76 173.54 3gaf s PRO 189 N 1.38 4.18 0.05 0.00 0.04 -1.26 -1.39 135.00 138.00 3gaf s PRO 189 Ca 0.04 0.78 -0.01 0.00 0.04 0.00 0.00 61.00 61.85 3gaf s PRO 189 Cb -0.24 -2.86 0.01 0.00 0.04 0.00 0.00 34.50 31.45 3gaf s PRO 189 CO 0.01 0.40 0.05 0.41 0.04 0.00 0.00 177.00 177.90 3gaf n GLY 190 N 0.67 -2.37 3.70 0.56 0.00 0.96 -4.34 105.19 104.37 3gaf n GLY 190 Ca -0.03 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.06 3.60 -0.04 4.61 0.00 -1.26 -4.94 121.76 120.67 3gaf s ALA 191 Ca 0.03 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 3gaf s ALA 191 Cb -0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3gaf s ALA 191 CO 0.02 -0.85 0.06 0.42 0.00 0.00 0.00 175.76 175.41 3gaf s ILE 192 N 2.03 4.66 -0.65 0.00 -1.09 -1.26 -1.32 121.20 123.57 3gaf s ILE 192 Ca 0.66 -0.30 -0.27 0.00 -2.23 0.00 0.00 60.65 58.51 3gaf s ILE 192 Cb -0.35 -3.07 0.01 0.00 -1.58 0.00 0.00 42.46 37.48 3gaf s ILE 192 CO 0.29 0.46 1.46 -0.75 -1.23 0.00 0.00 174.94 175.17 3gaf s LYS 193 N -1.38 3.10 0.12 2.79 2.20 0.20 -4.84 119.74 121.92 3gaf s LYS 193 Ca 0.19 0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.99 3gaf s LYS 193 Cb -0.12 -4.21 0.01 0.00 -1.51 0.00 0.00 37.83 32.00 3gaf s LYS 193 CO 0.09 -2.22 0.06 -2.37 -0.36 0.00 0.00 175.35 170.56 3gaf n THR 194 N 6.73 0.00 -3.94 3.43 5.66 -1.26 -4.55 114.28 120.35 3gaf n THR 194 Ca 0.10 -0.50 -0.32 0.00 -3.05 0.00 0.00 64.05 60.29 3gaf n THR 194 Cb 0.50 -0.26 -0.14 0.00 -1.55 0.00 0.00 70.33 68.88 3gaf n THR 194 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3gaf s ASP 195 N -1.69 4.71 0.00 1.09 1.11 -1.26 -5.15 116.67 115.48 3gaf s ASP 195 Ca 0.05 -2.49 0.00 0.00 0.18 0.00 0.00 52.55 50.29 3gaf s ASP 195 Cb -0.00 -1.67 0.00 0.00 1.07 0.00 0.00 42.92 42.31 3gaf s ASP 195 CO 0.03 -0.35 0.00 1.07 1.18 0.00 0.00 175.17 177.10 3gaf n THR 202 N 3.85 0.00 0.32 -1.27 5.66 -1.26 -5.19 114.28 116.39 3gaf n THR 202 Ca 0.04 0.00 0.20 0.00 -3.05 0.00 0.00 64.05 61.24 3gaf n THR 202 Cb 0.38 0.00 1.10 0.00 -1.55 0.00 0.00 70.33 70.26 3gaf n THR 202 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3gaf h PRO 203 N 0.00 0.00 0.28 1.09 0.11 -2.06 -0.36 132.00 131.06 3gaf h PRO 203 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3gaf h PRO 203 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gaf h PRO 203 CO 0.00 0.00 -0.14 0.93 -0.21 0.00 0.00 178.00 178.58 3gaf h GLU 204 N 0.00 -0.37 0.00 1.05 5.08 -2.07 -3.10 114.58 115.17 3gaf h GLU 204 Ca 0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3gaf h GLU 204 Cb 0.12 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3gaf h GLU 204 CO -0.00 -0.03 0.00 -0.84 -1.00 0.00 0.00 179.01 177.14 3gaf h ILE 205 N -0.76 0.00 -0.15 3.13 3.07 -1.59 -2.84 117.51 118.37 3gaf h ILE 205 Ca -0.04 -0.39 -0.17 0.00 1.55 0.00 0.00 64.86 65.81 3gaf h ILE 205 Cb 0.50 1.26 -0.00 0.00 -0.27 0.00 0.00 36.82 38.31 3gaf h ILE 205 CO 0.06 0.00 -0.61 -0.08 -1.05 0.00 0.00 178.15 176.47 3gaf h GLU 206 N 0.00 0.52 0.00 0.16 4.81 -1.20 -3.20 114.58 115.66 3gaf h GLU 206 Ca 0.00 -0.36 -0.09 0.00 -0.13 0.00 0.00 59.36 58.78 3gaf h GLU 206 Cb 0.47 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3gaf h GLU 206 CO 0.00 0.97 -0.42 -0.09 -0.73 0.00 0.00 179.01 178.74 3gaf h ARG 207 N 0.39 0.00 -0.04 1.92 2.43 -1.42 -2.86 114.38 114.80 3gaf h ARG 207 Ca -0.01 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 3gaf h ARG 207 Cb 1.17 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3gaf h ARG 207 CO 0.11 0.42 -0.59 0.00 -1.51 0.00 0.00 179.97 178.40 3gaf h ALA 208 N 1.58 0.95 0.00 2.80 0.00 -1.61 -3.07 119.26 119.91 3gaf h ALA 208 Ca -0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.18 3gaf h ALA 208 Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3gaf h ALA 208 CO 0.05 0.73 -0.93 0.52 0.00 0.00 0.00 179.25 179.63 3gaf h MET 209 N 0.09 0.00 -0.31 0.00 2.86 -1.57 -3.34 114.93 112.66 3gaf h MET 209 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3gaf h MET 209 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3gaf h MET 209 CO 0.08 0.93 0.00 1.28 1.06 0.00 0.00 176.91 180.26 3gaf n LEU 210 N -3.42 2.48 -0.19 1.22 4.77 -1.09 -4.02 117.00 116.76 3gaf n LEU 210 Ca -0.00 -1.09 0.06 0.00 -0.03 0.00 0.00 56.01 54.95 3gaf n LEU 210 Cb 0.88 -0.20 0.35 0.00 -2.33 0.00 0.00 43.42 42.12 3gaf n LEU 210 CO 0.46 0.55 1.22 0.11 -1.33 0.00 0.00 177.39 178.39 3gaf h LYS 211 N 3.13 0.74 -0.01 3.23 1.79 -1.66 -2.72 116.57 121.08 3gaf h LYS 211 Ca 0.00 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3gaf h LYS 211 Cb 0.69 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 3gaf h LYS 211 CO 0.00 0.49 -0.31 0.72 -1.08 0.00 0.00 179.45 179.27 3gaf n HIS 212 N -4.48 0.03 -3.51 -1.35 8.25 -1.26 -4.93 115.22 107.97 3gaf n HIS 212 Ca 0.11 -1.32 -0.42 0.00 -0.26 0.00 0.00 57.72 55.83 3gaf n HIS 212 Cb 0.23 -0.22 -0.08 0.00 1.12 0.00 0.00 29.99 31.04 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 -3.11 4.43 0.29 1.59 2.01 -1.03 -3.32 115.64 116.50 3gaf s THR 213 Ca 0.36 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.68 3gaf s THR 213 Cb 0.34 -3.88 0.34 0.00 0.01 0.00 0.00 72.50 69.31 3gaf s THR 213 CO -0.03 -0.77 1.62 -0.65 -0.69 0.00 0.00 174.62 174.10 3gaf h PRO 214 N 8.54 0.11 0.00 4.92 0.11 -1.82 -0.02 132.00 143.84 3gaf h PRO 214 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3gaf h PRO 214 Cb 1.08 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3gaf h PRO 214 CO 0.89 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 180.03 3gaf n LEU 215 N -5.34 0.00 -3.49 2.35 4.77 -1.06 -4.95 117.00 109.29 3gaf n LEU 215 Ca 0.21 0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 56.25 3gaf n LEU 215 Cb 0.67 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 3gaf n LEU 215 CO 0.02 -0.02 0.22 0.61 -1.33 0.00 0.00 177.39 176.88 3gaf n GLY 216 N 1.08 -0.48 3.53 -0.72 0.00 -0.02 -4.99 105.19 103.59 3gaf n GLY 216 Ca 0.13 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -6.10 0.98 0.69 1.61 1.70 -1.26 -5.13 118.95 111.43 3gaf s ARG 217 Ca 0.46 0.22 -0.11 0.00 -0.47 0.00 0.00 55.73 55.84 3gaf s ARG 217 Cb -0.20 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 3gaf s ARG 217 CO 0.71 -0.31 1.06 -1.17 -1.08 0.00 0.00 175.30 174.51 3gaf s LEU 218 N -1.22 3.08 0.74 -1.89 2.96 -1.26 -4.95 118.68 116.15 3gaf s LEU 218 Ca -0.09 1.48 -0.11 0.00 -0.22 0.00 0.00 54.13 55.20 3gaf s LEU 218 Cb -0.00 -4.38 0.05 0.00 0.50 0.00 0.00 46.19 42.36 3gaf s LEU 218 CO 0.08 -1.33 1.11 -0.83 -1.32 0.00 0.00 176.35 174.06 3gaf s GLY 219 N -3.97 1.62 0.22 7.98 0.00 -0.43 -4.79 107.32 107.95 3gaf s GLY 219 Ca 0.57 -0.56 0.10 0.00 0.00 0.00 0.00 44.72 44.84 3gaf s GLY 219 CO 0.54 -0.14 -0.14 -0.54 0.00 0.00 0.00 173.10 172.82 3gaf s GLU 220 N -5.41 1.86 0.32 2.90 0.41 -1.26 0.60 118.70 118.12 3gaf s GLU 220 Ca 0.60 -1.46 0.01 0.00 -0.41 0.00 0.00 54.97 53.70 3gaf s GLU 220 Cb -0.11 -1.99 0.53 0.00 -1.78 0.00 0.00 34.13 30.77 3gaf s GLU 220 CO 0.49 0.39 1.93 0.00 -0.49 0.00 0.00 175.26 177.58 3gaf h ALA 221 N 2.72 1.40 -0.54 5.21 0.00 -1.90 -1.80 119.26 124.34 3gaf h ALA 221 Ca -0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3gaf h ALA 221 Cb 1.22 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3gaf h ALA 221 CO 0.54 0.48 0.28 0.37 0.00 0.00 0.00 179.25 180.92 3gaf h GLN 222 N 0.83 0.74 -0.36 0.00 5.75 -1.93 -1.22 115.11 118.92 3gaf h GLN 222 Ca 0.21 -0.08 0.08 0.00 -0.15 0.00 0.00 58.65 58.71 3gaf h GLN 222 Cb 0.08 -0.15 -0.08 0.00 1.07 0.00 0.00 27.48 28.40 3gaf h GLN 222 CO -0.03 0.56 -0.19 -0.44 -2.65 0.00 0.00 178.83 176.08 3gaf h ASP 223 N 0.75 -0.66 -0.45 -0.69 3.32 -1.74 0.57 116.42 117.53 3gaf h ASP 223 Ca 0.19 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 3gaf h ASP 223 Cb 0.04 0.35 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3gaf h ASP 223 CO -0.03 -0.23 0.06 0.40 -1.72 0.00 0.00 179.24 177.72 3gaf h ILE 224 N -0.14 1.25 -0.42 0.35 1.08 -1.36 -3.01 117.51 115.27 3gaf h ILE 224 Ca 0.18 -0.93 -0.06 0.00 -0.39 0.00 0.00 64.86 63.66 3gaf h ILE 224 Cb 0.42 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 3gaf h ILE 224 CO -0.45 0.32 0.00 0.00 -0.69 0.00 0.00 178.15 177.34 3gaf h ALA 225 N 0.94 1.22 -0.48 1.87 0.00 -1.04 0.54 119.26 122.30 3gaf h ALA 225 Ca 0.13 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3gaf h ALA 225 Cb 0.40 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3gaf h ALA 225 CO 0.01 0.52 0.29 -0.91 0.00 0.00 0.00 179.25 179.16 3gaf h ASN 226 N 0.64 0.47 -0.19 0.00 2.35 -0.86 0.21 115.58 118.19 3gaf h ASN 226 Ca 0.13 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3gaf h ASN 226 Cb 0.40 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3gaf h ASN 226 CO 0.01 0.33 -0.04 0.00 -1.65 0.00 0.00 177.43 176.08 3gaf h ALA 227 N 1.21 0.27 -0.63 -0.83 0.00 -1.31 -2.44 119.26 115.53 3gaf h ALA 227 Ca 0.19 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.96 3gaf h ALA 227 Cb 0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 3gaf h ALA 227 CO -0.09 0.04 0.20 0.00 0.00 0.00 0.00 179.25 179.40 3gaf h ALA 228 N 0.73 0.80 -0.08 0.00 0.00 -0.69 -1.10 119.26 118.92 3gaf h ALA 228 Ca 0.05 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3gaf h ALA 228 Cb 0.49 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3gaf h ALA 228 CO 0.02 -0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.23 3gaf h LEU 229 N 0.36 -0.16 -0.29 0.00 5.85 -0.47 -1.66 115.31 118.95 3gaf h LEU 229 Ca 0.32 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.14 3gaf h LEU 229 Cb 0.45 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 3gaf h LEU 229 CO -0.36 -0.07 -0.09 0.15 -0.34 0.00 0.00 178.44 177.74 3gaf h PHE 230 N -0.05 -0.19 0.00 1.25 3.57 -0.94 -1.18 116.94 119.40 3gaf h PHE 230 Ca 0.05 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3gaf h PHE 230 Cb 0.12 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3gaf h PHE 230 CO -0.16 -0.14 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.49 3gaf h LEU 231 N -0.02 0.00 -0.20 0.59 3.38 -1.01 -2.66 115.31 115.39 3gaf h LEU 231 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3gaf h LEU 231 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gaf h LEU 231 CO -0.31 0.22 -0.70 0.00 0.09 0.00 0.00 178.44 177.74 3gaf s SER 233 N -2.87 5.63 0.38 0.00 1.04 -0.47 -4.80 113.70 112.61 3gaf s SER 233 Ca 0.12 0.29 0.26 0.00 0.48 0.00 0.00 55.95 57.10 3gaf s SER 233 Cb 0.17 -1.39 1.39 0.00 0.10 0.00 0.00 66.02 66.29 3gaf s SER 233 CO 0.74 -0.89 1.80 -0.65 0.98 0.00 0.00 173.24 175.22 3gaf h PRO 234 N 0.20 0.00 0.00 4.02 0.11 -1.75 -1.57 132.00 133.00 3gaf h PRO 234 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gaf h PRO 234 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gaf h PRO 234 CO 0.57 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 3gaf h ALA 235 N 2.02 1.00 -0.25 -0.75 0.00 -1.51 -2.45 119.26 117.33 3gaf h ALA 235 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3gaf h ALA 235 Cb 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3gaf h ALA 235 CO 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.15 3gaf n ALA 236 N -1.97 3.69 0.16 0.00 0.00 -0.59 -4.82 120.51 116.99 3gaf n ALA 236 Ca -0.02 -2.90 0.18 0.00 0.00 0.00 0.00 53.44 50.70 3gaf n ALA 236 Cb 0.10 -0.65 0.79 0.00 0.00 0.00 0.00 19.45 19.69 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 1.08 1.94 -0.19 0.00 0.00 -1.55 -0.35 119.26 120.18 3gaf h ALA 237 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gaf h ALA 237 Cb 1.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3gaf h ALA 237 CO 0.26 -0.43 0.00 1.87 0.00 0.00 0.00 179.25 180.95 3gaf n TRP 238 N -3.80 0.70 -3.98 0.00 -0.00 -1.26 -4.95 117.44 104.14 3gaf n TRP 238 Ca 0.04 -0.91 -0.34 0.00 -0.00 0.00 0.00 57.50 56.29 3gaf n TRP 238 Cb 0.43 -0.27 -0.15 0.00 -0.00 0.00 0.00 31.31 31.33 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 -2.84 2.93 -0.06 5.87 1.01 -0.14 -5.09 121.20 122.88 3gaf s ILE 239 Ca 0.40 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 60.24 3gaf s ILE 239 Cb 0.33 -2.31 0.03 0.00 0.01 0.00 0.00 42.46 40.52 3gaf s ILE 239 CO 0.07 0.46 0.38 -0.55 0.00 0.00 0.00 174.94 175.30 3gaf s SER 240 N 1.41 -0.31 0.00 3.58 0.15 -1.26 -4.74 113.70 112.53 3gaf s SER 240 Ca 0.05 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.08 3gaf s SER 240 Cb -0.14 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3gaf s SER 240 CO -0.07 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.62 3gaf n GLY 241 N 1.74 0.46 3.87 9.45 0.00 0.83 -4.98 105.19 116.56 3gaf n GLY 241 Ca -0.19 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 3gaf n GLY 241 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gaf s GLN 242 N -1.43 3.21 -0.23 1.61 -1.52 -1.25 -4.41 119.66 115.64 3gaf s GLN 242 Ca 0.00 -0.64 0.02 0.00 -1.95 0.00 0.00 55.36 52.80 3gaf s GLN 242 Cb 0.00 -2.87 0.05 0.00 -0.22 0.00 0.00 33.01 29.97 3gaf s GLN 242 CO 0.00 0.54 -0.13 0.08 -0.25 0.00 0.00 175.29 175.53 3gaf s VAL 243 N -1.62 2.05 -0.32 1.09 1.01 -1.26 -0.60 120.40 120.75 3gaf s VAL 243 Ca 0.33 -1.34 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 3gaf s VAL 243 Cb -0.12 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3gaf s VAL 243 CO 0.26 0.16 0.17 -0.22 0.00 0.00 0.00 175.10 175.48 3gaf s LEU 244 N 1.20 4.23 -0.07 3.92 2.96 0.53 -4.93 118.68 126.53 3gaf s LEU 244 Ca -0.04 -0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 53.09 3gaf s LEU 244 Cb -0.17 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 3gaf s LEU 244 CO -0.08 -0.21 0.80 -0.89 -1.32 0.00 0.00 176.35 174.65 3gaf s THR 245 N 1.63 4.97 -0.43 3.68 2.01 -1.26 -1.27 115.64 124.97 3gaf s THR 245 Ca 0.05 1.64 0.03 0.00 0.31 0.00 0.00 61.69 63.71 3gaf s THR 245 Cb -0.17 -4.13 0.12 0.00 0.01 0.00 0.00 72.50 68.33 3gaf s THR 245 CO 0.07 0.19 0.19 -0.69 -0.69 0.00 0.00 174.62 173.69 3gaf s VAL 246 N 1.11 1.87 0.00 3.82 1.01 -0.48 -4.91 120.40 122.82 3gaf s VAL 246 Ca 0.41 -2.62 0.01 0.00 0.00 0.00 0.00 61.98 59.78 3gaf s VAL 246 Cb -0.18 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3gaf s VAL 246 CO 0.20 -0.78 0.74 -1.54 0.00 0.00 0.00 175.10 173.71 3gaf n SER 247 N 3.70 -0.01 -0.94 3.32 3.41 -1.26 -0.03 113.62 121.80 3gaf n SER 247 Ca 0.05 -1.46 -0.12 0.00 -0.26 0.00 0.00 58.87 57.08 3gaf n SER 247 Cb 0.36 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.02 1.19 1.11 5.00 0.00 -1.26 -3.19 105.19 108.06 3gaf n GLY 248 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.50 0.81 0.00 -0.02 0.00 -1.26 -2.57 105.19 100.66 3gaf n GLY 249 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3gaf n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 250 N -2.00 4.28 3.13 -0.02 0.00 -1.19 -4.67 105.19 104.72 3gaf n GLY 250 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 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 0.04 1.18 -0.21 1.61 -7.23 -1.21 -4.80 120.40 109.78 3gaf s VAL 251 Ca 0.00 -0.73 -0.04 0.00 -1.81 0.00 0.00 61.98 59.40 3gaf s VAL 251 Cb 0.00 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 3gaf s VAL 251 CO 0.00 0.26 -0.04 -1.10 -0.31 0.00 0.00 175.10 173.91 3gaf s GLN 252 N -0.55 3.45 0.00 4.82 1.11 -1.26 -4.31 119.66 122.91 3gaf s GLN 252 Ca 0.05 -0.60 0.00 0.00 0.01 0.00 0.00 55.36 54.82 3gaf s GLN 252 Cb -0.06 -3.00 0.00 0.00 -1.01 0.00 0.00 33.01 28.94 3gaf s GLN 252 CO -0.00 -0.10 0.00 0.39 0.01 0.00 0.00 175.29 175.59