#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fvt h ALA 2 N 0.00 -0.78 -0.65 3.04 0.00 -2.00 0.16 119.26 119.04 2fvt h ALA 2 Ca 0.00 -0.05 -0.73 0.00 0.00 0.00 0.00 54.91 54.12 2fvt h ALA 2 Cb 0.00 0.62 -0.13 0.00 0.00 0.00 0.00 17.79 18.28 2fvt h ALA 2 CO 0.00 -0.83 2.30 0.94 0.00 0.00 0.00 179.25 181.67 2fvt n GLN 3 N -3.76 4.53 0.00 0.00 7.27 -1.26 -3.49 117.38 120.67 2fvt n GLN 3 Ca -0.04 -3.44 0.00 0.00 0.07 0.00 0.00 57.00 53.59 2fvt n GLN 3 Cb 0.18 -2.61 0.00 0.00 2.41 0.00 0.00 30.24 30.23 2fvt n GLN 3 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2fvt n ARG 4 N 1.65 0.00 -2.93 3.69 1.85 -1.18 -5.04 116.66 114.70 2fvt n ARG 4 Ca 0.62 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 57.32 2fvt n ARG 4 Cb 0.26 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.67 2fvt n ARG 4 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2fvt n SER 5 N 0.00 -1.71 -4.21 2.89 3.41 0.57 -4.95 113.62 109.61 2fvt n SER 5 Ca 0.00 -3.05 -0.41 0.00 -0.26 0.00 0.00 58.87 55.14 2fvt n SER 5 Cb 0.00 0.86 -0.08 0.00 -0.26 0.00 0.00 64.21 64.73 2fvt n SER 5 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2fvt s GLU 6 N -0.02 2.57 -0.40 4.33 2.12 -1.22 -3.33 118.70 122.74 2fvt s GLU 6 Ca 0.33 -1.87 -0.13 0.00 0.36 0.00 0.00 54.97 53.67 2fvt s GLU 6 Cb 0.20 -3.96 0.02 0.00 0.26 0.00 0.00 34.13 30.65 2fvt s GLU 6 CO -0.19 -1.20 0.48 -0.89 -0.54 0.00 0.00 175.26 172.91 2fvt n ILE 7 N 4.75-11.12 0.23 -3.70 5.41 -1.26 -4.93 119.36 108.74 2fvt n ILE 7 Ca -0.05 1.06 0.12 0.00 1.00 0.00 0.00 62.75 64.88 2fvt n ILE 7 Cb 0.41 -7.18 0.36 0.00 -0.71 0.00 0.00 39.64 32.52 2fvt n ILE 7 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2fvt h PRO 8 N 2.15 0.00 -1.88 0.38 0.11 -1.98 -3.47 132.00 127.30 2fvt h PRO 8 Ca 0.00 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.36 2fvt h PRO 8 Cb 0.79 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.80 2fvt h PRO 8 CO 0.18 0.09 0.66 -3.38 -0.21 0.00 0.00 178.00 175.34 2fvt s HIS 9 N -3.40 -0.08 0.42 0.65 -3.43 -1.26 -5.14 115.29 103.05 2fvt s HIS 9 Ca 0.04 -0.12 -0.26 0.00 -0.80 0.00 0.00 55.06 53.91 2fvt s HIS 9 Cb 0.07 0.59 -0.09 0.00 -1.43 0.00 0.00 32.58 31.73 2fvt s HIS 9 CO 0.63 -0.55 1.42 -0.06 -2.00 0.00 0.00 174.74 174.18 2fvt s PHE 10 N -2.84 2.57 -0.26 0.38 0.40 -1.26 -4.82 117.98 112.14 2fvt s PHE 10 Ca 0.13 1.27 -0.03 0.00 -0.60 0.00 0.00 56.93 57.70 2fvt s PHE 10 Cb 0.02 -3.90 -0.09 0.00 0.51 0.00 0.00 43.02 39.56 2fvt s PHE 10 CO -0.01 -2.78 1.91 -2.30 0.70 0.00 0.00 175.22 172.74 2fvt n PRO 11 N 0.06 1.18 -3.04 0.24 -0.02 -1.26 -4.62 135.00 127.54 2fvt n PRO 11 Ca 0.04 -0.74 -0.15 0.00 -2.02 0.00 0.00 63.50 60.63 2fvt n PRO 11 Cb 0.41 -1.95 0.02 0.00 -0.02 0.00 0.00 33.50 31.96 2fvt n PRO 11 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2fvt n ARG 12 N 3.34 -2.26 -3.40 -0.52 0.63 -1.24 -4.93 116.66 108.27 2fvt n ARG 12 Ca 0.25 1.93 -0.44 0.00 -0.92 0.00 0.00 57.85 58.67 2fvt n ARG 12 Cb 0.31 -4.26 -0.07 0.00 0.45 0.00 0.00 32.46 28.89 2fvt n ARG 12 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2fvt s THR 13 N -2.01 5.07 -0.00 5.15 2.01 -1.26 -4.77 115.64 119.83 2fvt s THR 13 Ca 0.23 -1.26 0.00 0.00 0.31 0.00 0.00 61.69 60.97 2fvt s THR 13 Cb -0.05 -4.12 -0.00 0.00 0.01 0.00 0.00 72.50 68.34 2fvt s THR 13 CO 0.74 -0.67 0.00 0.00 -0.69 0.00 0.00 174.62 174.01 2fvt n ALA 14 N 5.17 2.00 -2.77 7.40 0.00 -1.26 -4.87 120.51 126.18 2fvt n ALA 14 Ca -0.12 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 2fvt n ALA 14 Cb 0.42 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 2fvt n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fvt s ALA 15 N -2.01 3.30 -0.04 0.00 0.00 -1.26 -4.53 121.76 117.21 2fvt s ALA 15 Ca -0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.02 2fvt s ALA 15 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 2fvt s ALA 15 CO 0.01 -2.22 1.18 0.42 0.00 0.00 0.00 175.76 175.15 2fvt s ILE 16 N 3.16 4.29 0.00 0.00 1.01 -1.26 -4.98 121.20 123.42 2fvt s ILE 16 Ca 0.20 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.47 2fvt s ILE 16 Cb -0.17 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2fvt s ILE 16 CO 0.13 0.02 0.45 -0.67 0.00 0.00 0.00 174.94 174.87 2fvt n ASP 17 N 4.98 0.00 -3.28 3.58 2.03 -1.26 -5.04 116.55 117.56 2fvt n ASP 17 Ca 0.10 0.57 -0.06 0.00 0.52 0.00 0.00 54.79 55.93 2fvt n ASP 17 Cb 0.47 -0.29 0.01 0.00 -0.72 0.00 0.00 41.12 40.59 2fvt n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fvt s ALA 18 N -2.94 -1.19 0.09 -1.67 0.00 -0.87 -5.02 121.76 110.17 2fvt s ALA 18 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2fvt s ALA 18 Cb 0.00 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.85 2fvt s ALA 18 CO 0.00 -1.03 0.26 1.52 0.00 0.00 0.00 175.76 176.51 2fvt s TYR 19 N -2.58 0.02 0.00 0.00 1.13 -1.26 -1.19 117.35 113.47 2fvt s TYR 19 Ca 0.17 -0.39 0.00 0.00 -1.41 0.00 0.00 57.07 55.44 2fvt s TYR 19 Cb -0.04 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.87 2fvt s TYR 19 CO 0.08 -0.58 0.00 0.41 -2.51 0.00 0.00 175.55 172.95 2fvt n GLY 20 N -0.02 5.36 0.17 5.49 0.00 0.60 -4.79 105.19 112.00 2fvt n GLY 20 Ca -0.16 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.53 2fvt n GLY 20 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2fvt h LYS 21 N 0.00 0.00 -0.96 1.61 -0.00 -1.99 -3.30 116.57 111.93 2fvt h LYS 21 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 60.65 60.04 2fvt h LYS 21 Cb 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 32.23 31.93 2fvt h LYS 21 CO 0.00 0.01 0.67 0.41 -0.00 0.00 0.00 179.45 180.54 2fvt n GLY 22 N 1.14 5.52 0.00 0.07 0.00 -1.26 -4.48 105.19 106.17 2fvt n GLY 22 Ca 0.02 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2fvt n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fvt n GLY 23 N -0.97 -1.74 3.85 -0.02 0.00 -1.24 -2.81 105.19 102.25 2fvt n GLY 23 Ca 0.60 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 2fvt n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fvt s PHE 24 N 0.00 3.51 -0.33 1.61 0.08 0.12 -0.29 117.98 122.68 2fvt s PHE 24 Ca 0.00 1.40 -0.02 0.00 0.12 0.00 0.00 56.93 58.43 2fvt s PHE 24 Cb 0.00 -2.77 0.12 0.00 -0.57 0.00 0.00 43.02 39.80 2fvt s PHE 24 CO 0.00 -0.52 0.16 -0.47 -0.10 0.00 0.00 175.22 174.29 2fvt s TYR 25 N -2.85 0.91 -0.09 0.36 5.04 -0.33 -3.07 117.35 117.33 2fvt s TYR 25 Ca 0.57 -1.44 -0.01 0.00 -2.44 0.00 0.00 57.07 53.75 2fvt s TYR 25 Cb -0.10 -1.19 0.03 0.00 0.35 0.00 0.00 41.96 41.04 2fvt s TYR 25 CO 0.41 -0.84 -0.03 -0.59 -1.34 0.00 0.00 175.55 173.16 2fvt s PHE 26 N 1.52 1.01 -1.54 4.97 -0.71 0.10 -2.04 117.98 121.29 2fvt s PHE 26 Ca 0.13 -0.40 0.00 0.00 -1.04 0.00 0.00 56.93 55.62 2fvt s PHE 26 Cb -0.19 -0.97 0.00 0.00 -1.21 0.00 0.00 43.02 40.65 2fvt s PHE 26 CO -0.20 -0.39 0.00 0.00 -1.34 0.00 0.00 175.22 173.29 2fvt n ALA 27 N 4.98 -0.22 0.00 1.99 0.00 -1.26 -0.51 120.51 125.48 2fvt n ALA 27 Ca -0.11 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2fvt n ALA 27 Cb 0.50 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2fvt n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fvt n GLY 28 N -0.13 1.49 3.69 0.00 0.00 -1.26 -5.07 105.19 103.91 2fvt n GLY 28 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 2fvt n GLY 28 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2fvt s MET 29 N -0.52 4.33 0.31 1.61 1.00 0.33 -5.05 119.30 121.32 2fvt s MET 29 Ca 0.00 0.77 0.03 0.00 0.00 0.00 0.00 55.69 56.49 2fvt s MET 29 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 34.83 31.28 2fvt s MET 29 CO 0.00 -0.08 0.13 0.45 0.00 0.00 0.00 175.02 175.51 2fvt s SER 30 N 0.96 1.77 -1.48 3.03 0.15 -1.26 -0.72 113.70 116.16 2fvt s SER 30 Ca 0.34 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2fvt s SER 30 Cb -0.17 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2fvt s SER 30 CO 0.14 -0.82 0.00 1.41 1.20 0.00 0.00 173.24 175.17 2fvt n HIS 31 N -0.62 -0.40 -3.34 3.44 8.25 -1.13 -4.94 115.22 116.48 2fvt n HIS 31 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2fvt n HIS 31 Cb 0.65 -2.99 -0.09 0.00 1.12 0.00 0.00 29.99 28.68 2fvt n HIS 31 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2fvt s GLN 32 N -4.11 3.36 0.09 -0.41 2.00 -1.25 -4.88 119.66 114.45 2fvt s GLN 32 Ca 0.00 -0.54 -0.14 0.00 -2.00 0.00 0.00 55.36 52.69 2fvt s GLN 32 Cb 0.00 -3.88 -0.19 0.00 0.80 0.00 0.00 33.01 29.74 2fvt s GLN 32 CO 0.00 -0.69 1.25 0.78 -0.50 0.00 0.00 175.29 176.13 2fvt h GLY 33 N 8.94 0.83 -5.34 2.59 0.00 -1.88 0.35 103.07 108.56 2fvt h GLY 33 Ca -0.28 -1.29 -0.31 0.00 0.00 0.00 0.00 47.33 45.45 2fvt h GLY 33 CO 0.75 1.14 -0.75 -0.56 0.00 0.00 0.00 176.54 177.13 2fvt s SER 34 N -7.17 0.57 -0.01 0.19 0.01 -1.25 -0.67 113.70 105.36 2fvt s SER 34 Ca -0.10 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.08 2fvt s SER 34 Cb 0.08 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.24 2fvt s SER 34 CO 0.91 0.04 -0.10 -0.76 0.41 0.00 0.00 173.24 173.74 2fvt s LEU 35 N -0.20 2.00 -0.52 2.44 1.43 -0.24 -2.29 118.68 121.29 2fvt s LEU 35 Ca 0.01 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 52.83 2fvt s LEU 35 Cb -0.02 -0.53 0.13 0.00 0.03 0.00 0.00 46.19 45.80 2fvt s LEU 35 CO -0.00 0.12 0.40 -0.76 0.23 0.00 0.00 176.35 176.34 2fvt s LEU 36 N -0.20 5.79 -0.84 1.79 1.43 0.90 -0.88 118.68 126.67 2fvt s LEU 36 Ca 0.03 -2.07 -0.22 0.00 -1.03 0.00 0.00 54.13 50.84 2fvt s LEU 36 Cb -0.04 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 44.23 2fvt s LEU 36 CO -0.00 -0.66 1.16 -0.36 0.23 0.00 0.00 176.35 176.71 2fvt s PHE 37 N 1.12 2.76 0.45 0.29 0.40 0.70 -1.18 117.98 122.53 2fvt s PHE 37 Ca 0.08 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.51 2fvt s PHE 37 Cb -0.24 -4.41 -0.03 0.00 0.51 0.00 0.00 43.02 38.84 2fvt s PHE 37 CO -0.02 -1.70 0.72 -0.51 0.70 0.00 0.00 175.22 174.42 2fvt s LEU 38 N 3.94 3.72 0.00 -0.37 1.43 -0.85 -0.68 118.68 125.88 2fvt s LEU 38 Ca 0.32 0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 54.19 2fvt s LEU 38 Cb -0.08 -3.71 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 2fvt s LEU 38 CO -0.01 -0.51 1.83 -2.65 0.23 0.00 0.00 176.35 175.24 2fvt n PRO 39 N -2.14 0.92 0.06 1.29 -0.02 -1.25 -3.49 135.00 130.37 2fvt n PRO 39 Ca -0.01 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 2fvt n PRO 39 Cb 0.55 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 2fvt n PRO 39 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2fvt n ASP 40 N 2.17 -1.00 -4.19 2.55 -0.08 -1.26 -5.05 116.55 109.68 2fvt n ASP 40 Ca 0.13 0.47 -0.18 0.00 -1.51 0.00 0.00 54.79 53.70 2fvt n ASP 40 Cb 0.44 1.22 -0.11 0.00 2.34 0.00 0.00 41.12 45.00 2fvt n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2fvt s ALA 41 N -2.00 1.26 -0.21 -1.67 0.00 -1.23 -3.69 121.76 114.22 2fvt s ALA 41 Ca 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 2fvt s ALA 41 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2fvt s ALA 41 CO 0.00 0.11 -0.02 0.08 0.00 0.00 0.00 175.76 175.93 2fvt s VAL 42 N -1.74 3.68 0.44 0.00 1.01 -1.26 -2.00 120.40 120.53 2fvt s VAL 42 Ca 0.03 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.68 2fvt s VAL 42 Cb -0.07 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2fvt s VAL 42 CO 0.02 0.42 0.22 0.26 0.00 0.00 0.00 175.10 176.03 2fvt s TRP 43 N 1.21 2.46 0.24 5.22 0.52 -0.32 -4.92 118.94 123.34 2fvt s TRP 43 Ca 0.03 -0.63 -0.04 0.00 0.02 0.00 0.00 56.10 55.48 2fvt s TRP 43 Cb -0.14 -1.96 -0.05 0.00 -1.15 0.00 0.00 33.47 30.16 2fvt s TRP 43 CO 0.00 0.07 0.49 0.20 0.02 0.00 0.00 176.95 177.73 2fvt s GLY 44 N -3.98 1.94 0.11 0.98 0.00 -1.26 -0.07 107.32 105.04 2fvt s GLY 44 Ca 0.39 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.53 2fvt s GLY 44 CO 0.22 -0.51 -0.07 0.86 0.00 0.00 0.00 173.10 173.60 2fvt s TRP 45 N -1.94 0.99 -0.19 1.90 -0.00 -0.97 -4.73 118.94 113.99 2fvt s TRP 45 Ca 0.42 -0.89 0.12 0.00 -0.00 0.00 0.00 56.10 55.76 2fvt s TRP 45 Cb -0.11 -0.55 0.41 0.00 -0.00 0.00 0.00 33.47 33.21 2fvt s TRP 45 CO 0.28 -0.11 1.21 -3.47 -0.00 0.00 0.00 176.95 174.86 2fvt n ASP 46 N -0.09 1.72 -4.14 5.86 2.03 -1.26 -3.94 116.55 116.73 2fvt n ASP 46 Ca -0.11 -3.75 -0.38 0.00 0.52 0.00 0.00 54.79 51.08 2fvt n ASP 46 Cb 0.61 -0.51 -0.10 0.00 -0.72 0.00 0.00 41.12 40.40 2fvt n ASP 46 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2fvt s VAL 47 N -3.05 3.64 -0.01 5.18 1.01 -1.26 -4.89 120.40 121.02 2fvt s VAL 47 Ca 0.37 -2.19 0.04 0.00 0.00 0.00 0.00 61.98 60.20 2fvt s VAL 47 Cb 0.36 -3.44 -0.25 0.00 0.00 0.00 0.00 36.38 33.06 2fvt s VAL 47 CO -0.07 -0.76 0.78 0.74 0.00 0.00 0.00 175.10 175.80 2fvt h THR 48 N 6.05 1.05 -3.41 3.92 2.02 -1.92 -3.43 112.91 117.19 2fvt h THR 48 Ca -0.12 -2.80 -0.64 0.00 0.77 0.00 0.00 66.41 63.63 2fvt h THR 48 Cb 1.03 2.60 -0.21 0.00 -1.74 0.00 0.00 68.15 69.84 2fvt h THR 48 CO 0.74 0.72 -0.63 -0.54 0.37 0.00 0.00 175.52 176.18 2fvt s LYS 49 N -2.62 3.74 0.13 6.66 1.02 -1.26 -4.65 119.74 122.75 2fvt s LYS 49 Ca -0.07 -0.46 0.09 0.00 0.02 0.00 0.00 55.97 55.54 2fvt s LYS 49 Cb 0.08 -3.13 0.48 0.00 -0.52 0.00 0.00 37.83 34.74 2fvt s LYS 49 CO 0.83 0.10 1.27 -0.35 -0.92 0.00 0.00 175.35 176.28 2fvt n PRO 50 N 4.02 0.06 -0.02 -1.68 -0.04 -1.26 -0.61 135.00 135.47 2fvt n PRO 50 Ca -0.17 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 2fvt n PRO 50 Cb 0.52 -1.69 0.57 0.00 -0.04 0.00 0.00 33.50 32.86 2fvt n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2fvt n GLU 51 N -1.81 1.45 0.00 0.54 1.02 -1.26 -3.27 120.64 117.31 2fvt n GLU 51 Ca -0.01 -0.67 0.11 0.00 -0.02 0.00 0.00 57.16 56.58 2fvt n GLU 51 Cb 0.02 -1.43 0.13 0.00 -0.02 0.00 0.00 31.44 30.13 2fvt n GLU 51 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2fvt n GLN 52 N -0.16 0.30 -2.01 3.49 6.02 0.22 -4.90 117.38 120.35 2fvt n GLN 52 Ca 0.18 -0.22 -0.40 0.00 -0.01 0.00 0.00 57.00 56.56 2fvt n GLN 52 Cb 0.26 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 2fvt n GLN 52 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2fvt s ILE 53 N -2.85 3.41 0.38 5.09 1.01 -1.20 -4.88 121.20 122.16 2fvt s ILE 53 Ca 0.13 0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.19 2fvt s ILE 53 Cb 0.17 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2fvt s ILE 53 CO 0.70 -0.66 0.26 -0.62 0.00 0.00 0.00 174.94 174.63 2fvt s ASP 54 N 7.37 4.85 0.28 3.58 2.15 -1.26 -4.98 116.67 128.66 2fvt s ASP 54 Ca 0.74 -0.79 0.01 0.00 0.43 0.00 0.00 52.55 52.93 2fvt s ASP 54 Cb -0.17 -0.66 0.52 0.00 -0.30 0.00 0.00 42.92 42.32 2fvt s ASP 54 CO 0.27 -0.49 1.86 -0.09 -0.17 0.00 0.00 175.17 176.54 2fvt h ARG 55 N 1.29 1.01 0.00 4.34 2.43 -1.96 -0.61 114.38 120.88 2fvt h ARG 55 Ca -0.43 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2fvt h ARG 55 Cb 1.26 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2fvt h ARG 55 CO 0.62 0.67 -0.09 0.66 -1.51 0.00 0.00 179.97 180.32 2fvt n TYR 56 N -4.57 0.38 0.15 2.20 4.01 -1.26 -1.92 117.16 116.14 2fvt n TYR 56 Ca 0.18 0.11 0.03 0.00 -0.16 0.00 0.00 57.90 58.05 2fvt n TYR 56 Cb 0.30 -0.65 0.14 0.00 -0.31 0.00 0.00 39.34 38.82 2fvt n TYR 56 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2fvt h SER 57 N 0.00 0.00 -0.50 7.72 0.02 -1.48 -3.01 113.55 116.30 2fvt h SER 57 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fvt h SER 57 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2fvt h SER 57 CO 0.00 0.50 0.00 0.18 -1.14 0.00 0.00 176.83 176.37 2fvt n LEU 58 N -3.36 5.00 -0.23 5.07 4.77 -0.76 -4.52 117.00 122.98 2fvt n LEU 58 Ca 0.01 -2.54 0.02 0.00 -0.03 0.00 0.00 56.01 53.47 2fvt n LEU 58 Cb 0.66 -0.65 0.14 0.00 -2.33 0.00 0.00 43.42 41.24 2fvt n LEU 58 CO 0.40 0.59 1.03 -0.61 -1.33 0.00 0.00 177.39 177.46 2fvt h GLN 59 N 3.47 0.48 0.00 3.23 4.15 -1.36 0.21 115.11 125.30 2fvt h GLN 59 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2fvt h GLN 59 Cb 1.73 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.31 2fvt h GLN 59 CO 0.40 0.32 0.00 -0.09 -1.93 0.00 0.00 178.83 177.53 2fvt h ARG 60 N 0.49 0.00 0.02 1.69 2.43 -1.85 -3.03 114.38 114.13 2fvt h ARG 60 Ca 0.35 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.33 2fvt h ARG 60 Cb 0.43 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2fvt h ARG 60 CO -0.31 0.00 -1.00 0.28 -1.51 0.00 0.00 179.97 177.42 2fvt h VAL 61 N 0.00 1.13 -0.08 0.20 2.07 -1.10 -3.29 116.25 115.18 2fvt h VAL 61 Ca 0.00 -2.25 0.02 0.00 0.82 0.00 0.00 66.70 65.29 2fvt h VAL 61 Cb 0.59 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2fvt h VAL 61 CO 0.00 0.44 0.05 -0.26 0.02 0.00 0.00 177.57 177.82 2fvt h PHE 62 N -0.89 0.03 -0.44 1.57 0.04 -0.74 -1.46 116.94 115.04 2fvt h PHE 62 Ca -0.26 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.38 2fvt h PHE 62 Cb 1.31 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 2fvt h PHE 62 CO 0.14 0.02 -0.21 0.22 -0.60 0.00 0.00 178.31 177.88 2fvt h ASP 63 N 0.03 0.95 -0.55 2.17 3.58 -1.67 -3.06 116.42 117.87 2fvt h ASP 63 Ca 0.03 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2fvt h ASP 63 Cb 0.10 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2fvt h ASP 63 CO -0.00 1.14 0.00 -3.20 -2.88 0.00 0.00 179.24 174.30 2fvt n ASN 64 N -4.17 3.87 0.23 2.28 2.85 -0.68 -4.42 115.26 115.22 2fvt n ASN 64 Ca -0.01 -2.30 0.16 0.00 -0.11 0.00 0.00 54.58 52.32 2fvt n ASN 64 Cb 0.45 -0.50 0.82 0.00 1.24 0.00 0.00 39.78 41.78 2fvt n ASN 64 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2fvt h ALA 65 N 3.93 1.00 0.00 5.20 0.00 -1.19 -0.93 119.26 127.27 2fvt h ALA 65 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2fvt h ALA 65 Cb 1.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2fvt h ALA 65 CO 0.16 0.00 -0.10 -2.95 0.00 0.00 0.00 179.25 176.36 2fvt h ASN 66 N 0.00 0.00 -0.26 0.00 7.08 -1.84 -1.99 115.58 118.57 2fvt h ASN 66 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2fvt h ASN 66 Cb 0.03 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 2fvt h ASN 66 CO 0.00 0.10 0.00 0.00 -2.08 0.00 0.00 177.43 175.45 2fvt n ALA 67 N -2.18 2.40 -3.55 4.14 0.00 -0.35 -4.80 120.51 116.16 2fvt n ALA 67 Ca -0.01 -0.90 -0.41 0.00 0.00 0.00 0.00 53.44 52.12 2fvt n ALA 67 Cb 0.29 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 2fvt n ALA 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2fvt s ILE 68 N -1.35 4.55 -0.05 0.00 1.01 -0.75 -4.29 121.20 120.32 2fvt s ILE 68 Ca 0.30 -2.82 -0.25 0.00 0.00 0.00 0.00 60.65 57.88 2fvt s ILE 68 Cb 0.18 -3.88 -0.23 0.00 0.01 0.00 0.00 42.46 38.55 2fvt s ILE 68 CO 0.25 -0.95 1.05 -0.78 0.00 0.00 0.00 174.94 174.51 2fvt h ASP 69 N 7.27 0.20 -3.30 3.58 1.82 -0.45 -3.43 116.42 122.10 2fvt h ASP 69 Ca 0.05 -0.74 -0.67 0.00 -0.39 0.00 0.00 57.03 55.27 2fvt h ASP 69 Cb 0.98 -0.06 -0.31 0.00 0.68 0.00 0.00 39.33 40.62 2fvt h ASP 69 CO 0.74 0.92 -0.84 -0.89 -1.61 0.00 0.00 179.24 177.56 2fvt s THR 70 N -3.25 2.40 -0.32 2.25 2.01 -1.05 -1.10 115.64 116.58 2fvt s THR 70 Ca -0.16 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 60.90 2fvt s THR 70 Cb 0.01 -1.96 0.03 0.00 0.01 0.00 0.00 72.50 70.59 2fvt s THR 70 CO 0.73 0.54 0.08 -0.22 -0.69 0.00 0.00 174.62 175.06 2fvt s LEU 71 N 0.49 4.09 -0.25 4.42 2.96 0.13 -0.81 118.68 129.73 2fvt s LEU 71 Ca -0.13 -1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 52.60 2fvt s LEU 71 Cb -0.17 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2fvt s LEU 71 CO 0.05 -0.28 0.29 -0.63 -1.32 0.00 0.00 176.35 174.46 2fvt s ILE 72 N 1.40 5.25 -0.41 6.68 1.01 0.32 -1.08 121.20 134.38 2fvt s ILE 72 Ca -0.01 0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 2fvt s ILE 72 Cb -0.19 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 38.72 2fvt s ILE 72 CO 0.02 0.24 0.26 -0.69 0.00 0.00 0.00 174.94 174.77 2fvt s VAL 73 N 1.58 4.51 -0.58 2.92 1.01 0.34 -0.09 120.40 130.10 2fvt s VAL 73 Ca 0.12 -1.15 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 2fvt s VAL 73 Cb -0.15 -3.66 0.14 0.00 0.00 0.00 0.00 36.38 32.71 2fvt s VAL 73 CO 0.08 -0.42 0.54 -0.83 0.00 0.00 0.00 175.10 174.47 2fvt s GLY 74 N 1.98 2.16 -0.26 4.51 0.00 -0.60 -0.82 107.32 114.29 2fvt s GLY 74 Ca 0.03 -2.64 -0.11 0.00 0.00 0.00 0.00 44.72 41.99 2fvt s GLY 74 CO 0.05 1.21 0.20 -0.51 0.00 0.00 0.00 173.10 174.05 2fvt s THR 75 N 1.42 5.31 -0.28 0.90 -4.23 0.11 0.25 115.64 119.11 2fvt s THR 75 Ca 0.05 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 2fvt s THR 75 Cb -0.27 -3.54 0.13 0.00 1.34 0.00 0.00 72.50 70.16 2fvt s THR 75 CO 0.01 0.28 2.25 0.61 -0.54 0.00 0.00 174.62 177.23 2fvt n GLY 76 N 4.72 3.88 2.57 3.99 0.00 -1.00 -3.04 105.19 116.32 2fvt n GLY 76 Ca -0.14 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 2fvt n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fvt n ALA 77 N 0.71 0.52 -0.70 4.61 0.00 -1.26 -4.19 120.51 120.20 2fvt n ALA 77 Ca 0.30 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.65 2fvt n ALA 77 Cb 0.58 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2fvt n ALA 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fvt n ASP 78 N 2.82 -1.65 -4.36 0.00 -0.08 -1.26 -4.24 116.55 107.78 2fvt n ASP 78 Ca 0.24 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 53.06 2fvt n ASP 78 Cb 0.52 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.94 2fvt n ASP 78 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2fvt s VAL 79 N 0.00 5.06 -0.41 5.18 1.01 -1.26 -4.70 120.40 125.28 2fvt s VAL 79 Ca 0.00 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.30 2fvt s VAL 79 Cb 0.00 -4.48 0.02 0.00 0.00 0.00 0.00 36.38 31.91 2fvt s VAL 79 CO 0.00 -1.09 0.66 0.86 0.00 0.00 0.00 175.10 175.54 2fvt s TRP 80 N 1.92 3.08 -0.09 5.22 -0.00 -1.26 -5.04 118.94 122.77 2fvt s TRP 80 Ca 0.13 0.13 -0.18 0.00 -0.00 0.00 0.00 56.10 56.19 2fvt s TRP 80 Cb -0.21 -3.32 -0.05 0.00 -0.00 0.00 0.00 33.47 29.89 2fvt s TRP 80 CO 0.01 -0.80 0.46 -1.50 -0.00 0.00 0.00 176.95 175.12 2fvt s ILE 81 N 2.86 5.15 0.16 5.86 2.07 -1.26 -4.68 121.20 131.36 2fvt s ILE 81 Ca 0.25 0.93 -0.30 0.00 -1.41 0.00 0.00 60.65 60.12 2fvt s ILE 81 Cb -0.14 -3.80 -0.08 0.00 0.13 0.00 0.00 42.46 38.57 2fvt s ILE 81 CO 0.18 0.38 1.31 0.00 -1.91 0.00 0.00 174.94 174.90 2fvt s ALA 82 N 0.29 3.52 0.51 1.50 0.00 -1.26 -4.98 121.76 121.34 2fvt s ALA 82 Ca 0.25 1.07 -0.22 0.00 0.00 0.00 0.00 51.96 53.06 2fvt s ALA 82 Cb -0.15 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.41 2fvt s ALA 82 CO 0.11 -0.53 1.24 -0.35 0.00 0.00 0.00 175.76 176.23 2fvt n PRO 83 N 3.06 1.61 0.24 0.00 -0.04 -1.26 -4.72 135.00 133.88 2fvt n PRO 83 Ca 0.08 0.59 0.08 0.00 -0.04 0.00 0.00 63.50 64.20 2fvt n PRO 83 Cb 0.43 -2.41 0.59 0.00 -0.04 0.00 0.00 33.50 32.07 2fvt n PRO 83 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2fvt h ARG 84 N 1.47 0.00 -0.62 0.54 -0.00 -1.98 0.15 114.38 113.95 2fvt h ARG 84 Ca -0.49 0.00 0.01 0.00 -0.00 0.00 0.00 59.98 59.49 2fvt h ARG 84 Cb 1.31 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.25 2fvt h ARG 84 CO 0.57 0.15 0.41 0.37 -0.00 0.00 0.00 179.97 181.46 2fvt h GLN 85 N 0.00 0.82 0.04 0.08 4.15 -1.98 -0.14 115.11 118.07 2fvt h GLN 85 Ca -0.00 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.21 2fvt h GLN 85 Cb 0.28 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 27.80 2fvt h GLN 85 CO 0.02 0.54 -0.63 1.25 -1.93 0.00 0.00 178.83 178.08 2fvt h LEU 86 N 0.84 0.49 -0.30 -2.39 5.85 -1.55 -1.97 115.31 116.28 2fvt h LEU 86 Ca 0.23 -0.81 0.03 0.00 0.84 0.00 0.00 57.88 58.16 2fvt h LEU 86 Cb -0.09 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2fvt h LEU 86 CO -0.05 1.25 0.11 -0.09 -0.34 0.00 0.00 178.44 179.32 2fvt h ARG 87 N -0.20 0.24 0.00 1.25 2.43 -0.94 -0.24 114.38 116.92 2fvt h ARG 87 Ca -0.09 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2fvt h ARG 87 Cb 1.38 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2fvt h ARG 87 CO 0.12 0.16 -0.16 0.93 -1.51 0.00 0.00 179.97 179.51 2fvt h GLU 88 N 0.25 0.00 -0.32 0.20 5.08 -1.12 -1.43 114.58 117.23 2fvt h GLU 88 Ca 0.13 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 2fvt h GLU 88 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2fvt h GLU 88 CO -0.13 0.16 -0.18 0.00 -1.00 0.00 0.00 179.01 177.87 2fvt h ALA 89 N 1.84 0.45 -0.26 3.43 0.00 -0.81 -2.12 119.26 121.79 2fvt h ALA 89 Ca -0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2fvt h ALA 89 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2fvt h ALA 89 CO 0.02 0.38 -0.24 -0.07 0.00 0.00 0.00 179.25 179.35 2fvt h LEU 90 N 0.45 0.48 -1.59 0.00 3.38 -0.94 -2.31 115.31 114.78 2fvt h LEU 90 Ca 0.07 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2fvt h LEU 90 Cb 0.72 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2fvt h LEU 90 CO 0.05 0.72 0.28 -0.09 0.09 0.00 0.00 178.44 179.49 2fvt h ARG 91 N 0.43 0.55 0.00 1.13 2.43 -1.09 -0.36 114.38 117.46 2fvt h ARG 91 Ca 0.06 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2fvt h ARG 91 Cb 0.65 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2fvt h ARG 91 CO 0.05 0.36 -0.13 0.78 -1.51 0.00 0.00 179.97 179.52 2fvt h GLY 92 N 0.56 0.00 -0.22 2.80 0.00 -0.79 0.06 103.07 105.48 2fvt h GLY 92 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2fvt h GLY 92 CO -0.03 0.00 -0.13 -0.62 0.00 0.00 0.00 176.54 175.75 2fvt n VAL 93 N -4.01 0.00 -1.50 4.60 0.31 -0.24 -4.92 118.33 112.57 2fvt n VAL 93 Ca -0.02 -0.20 -0.07 0.00 -0.01 0.00 0.00 64.34 64.04 2fvt n VAL 93 Cb 0.21 0.52 -0.02 0.00 -0.91 0.00 0.00 33.84 33.64 2fvt n VAL 93 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2fvt n ASN 94 N -0.16 -3.41 -4.67 4.52 5.03 0.01 -5.01 115.26 111.56 2fvt n ASN 94 Ca 0.15 0.11 -0.39 0.00 0.87 0.00 0.00 54.58 55.32 2fvt n ASN 94 Cb 0.37 -1.91 -0.06 0.00 -1.02 0.00 0.00 39.78 37.16 2fvt n ASN 94 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2fvt s VAL 95 N -2.28 5.10 -0.47 2.41 1.01 -0.64 -4.93 120.40 120.61 2fvt s VAL 95 Ca 0.00 1.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 2fvt s VAL 95 Cb 0.00 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2fvt s VAL 95 CO 0.00 0.19 1.22 -0.69 0.00 0.00 0.00 175.10 175.82 2fvt s VAL 96 N 1.53 4.11 -0.07 2.92 1.01 -0.26 -4.13 120.40 125.51 2fvt s VAL 96 Ca 0.25 1.12 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 2fvt s VAL 96 Cb -0.15 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 2fvt s VAL 96 CO 0.10 -0.97 0.45 -0.22 0.00 0.00 0.00 175.10 174.46 2fvt s LEU 97 N 4.77 4.36 -0.05 3.92 2.96 -1.26 0.22 118.68 133.59 2fvt s LEU 97 Ca 0.51 0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 55.28 2fvt s LEU 97 Cb -0.09 -2.66 0.04 0.00 0.50 0.00 0.00 46.19 43.98 2fvt s LEU 97 CO 0.32 0.13 0.12 -0.62 -1.32 0.00 0.00 176.35 174.98 2fvt s ASP 98 N -0.06 -0.05 -0.03 3.68 2.15 -0.24 -4.95 116.67 117.18 2fvt s ASP 98 Ca 0.25 0.24 0.06 0.00 0.43 0.00 0.00 52.55 53.53 2fvt s ASP 98 Cb -0.16 0.12 -0.01 0.00 -0.30 0.00 0.00 42.92 42.57 2fvt s ASP 98 CO 0.12 -0.15 -0.22 0.28 -0.17 0.00 0.00 175.17 175.03 2fvt s THR 99 N 1.17 1.74 0.07 1.71 -1.32 -1.26 -0.51 115.64 117.25 2fvt s THR 99 Ca -0.09 -0.93 -0.03 0.00 -1.21 0.00 0.00 61.69 59.43 2fvt s THR 99 Cb -0.12 -1.46 0.01 0.00 -1.51 0.00 0.00 72.50 69.43 2fvt s THR 99 CO -0.05 0.49 0.15 1.15 -2.21 0.00 0.00 174.62 174.15 2fvt n MET 100 N 2.67 0.21 -1.91 7.08 0.00 0.00 -4.95 117.12 120.21 2fvt n MET 100 Ca -0.16 -0.41 -0.31 0.00 0.00 0.00 0.00 57.70 56.82 2fvt n MET 100 Cb 0.52 0.51 0.01 0.00 0.00 0.00 0.00 33.22 34.27 2fvt n MET 100 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2fvt s GLN 101 N -2.02 3.61 0.20 3.17 1.11 -1.26 0.04 119.66 124.51 2fvt s GLN 101 Ca 0.03 0.74 -0.12 0.00 0.01 0.00 0.00 55.36 56.02 2fvt s GLN 101 Cb -0.01 -2.09 0.23 0.00 -1.01 0.00 0.00 33.01 30.13 2fvt s GLN 101 CO 0.02 -0.55 1.69 1.15 0.01 0.00 0.00 175.29 177.61 2fvt h THR 102 N -0.27 0.62 0.21 -0.19 2.02 -1.74 0.15 112.91 113.71 2fvt h THR 102 Ca -0.44 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 2fvt h THR 102 Cb 1.19 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2fvt h THR 102 CO 0.62 0.03 -0.24 1.23 0.37 0.00 0.00 175.52 177.54 2fvt h GLY 103 N 0.17 -1.00 0.65 2.16 0.00 -1.93 0.23 103.07 103.35 2fvt h GLY 103 Ca 0.28 0.46 0.15 0.00 0.00 0.00 0.00 47.33 48.21 2fvt h GLY 103 CO -0.41 -0.32 0.51 -2.55 0.00 0.00 0.00 176.54 173.77 2fvt h PRO 104 N -0.45 0.42 -0.42 4.80 0.11 -1.93 -2.08 132.00 132.45 2fvt h PRO 104 Ca -0.03 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 2fvt h PRO 104 Cb 0.40 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 2fvt h PRO 104 CO -0.04 0.28 0.16 0.00 -0.21 0.00 0.00 178.00 178.18 2fvt h ALA 105 N 1.64 0.55 -0.22 -0.75 0.00 -0.51 0.13 119.26 120.10 2fvt h ALA 105 Ca 0.38 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2fvt h ALA 105 Cb 0.86 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2fvt h ALA 105 CO -0.13 0.16 -0.00 0.82 0.00 0.00 0.00 179.25 180.10 2fvt h ILE 106 N 0.54 0.85 -0.46 0.00 2.04 -0.26 0.19 117.51 120.41 2fvt h ILE 106 Ca 0.14 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 2fvt h ILE 106 Cb 0.20 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2fvt h ILE 106 CO -0.01 0.01 0.26 -0.09 0.00 0.00 0.00 178.15 178.32 2fvt h ARG 107 N 0.07 0.63 -0.35 2.37 2.43 -1.25 -0.22 114.38 118.06 2fvt h ARG 107 Ca 0.10 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2fvt h ARG 107 Cb 0.13 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2fvt h ARG 107 CO -0.17 0.49 0.11 1.15 -1.51 0.00 0.00 179.97 180.03 2fvt h THR 108 N 0.60 1.21 -0.45 0.20 2.02 -0.36 -2.36 112.91 113.77 2fvt h THR 108 Ca 0.16 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 2fvt h THR 108 Cb 0.04 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2fvt h THR 108 CO -0.03 0.24 0.06 0.22 0.37 0.00 0.00 175.52 176.38 2fvt h TYR 109 N 0.41 0.80 -0.12 3.16 3.20 -0.46 0.14 116.97 124.10 2fvt h TYR 109 Ca 0.11 -0.11 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2fvt h TYR 109 Cb 0.26 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2fvt h TYR 109 CO 0.01 0.76 0.08 -0.97 -1.64 0.00 0.00 178.16 176.39 2fvt h ASN 110 N 0.61 0.08 0.01 -2.11 -1.24 -0.91 0.17 115.58 112.18 2fvt h ASN 110 Ca 0.13 -0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.08 2fvt h ASN 110 Cb 0.40 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 2fvt h ASN 110 CO 0.01 0.05 -0.33 0.40 -1.29 0.00 0.00 177.43 176.28 2fvt h ILE 111 N 0.09 1.59 0.00 2.57 2.04 -1.05 -3.38 117.51 119.37 2fvt h ILE 111 Ca 0.05 -2.33 -0.04 0.00 1.00 0.00 0.00 64.86 63.54 2fvt h ILE 111 Cb 0.08 3.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 2fvt h ILE 111 CO -0.01 0.56 -0.19 0.24 0.00 0.00 0.00 178.15 178.75 2fvt h MET 112 N -0.95 0.00 -0.17 2.37 2.86 -0.19 -0.92 114.93 117.93 2fvt h MET 112 Ca -0.08 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2fvt h MET 112 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 2fvt h MET 112 CO -0.03 0.19 -0.04 0.97 1.06 0.00 0.00 176.91 179.06 2fvt h ILE 113 N 0.00 1.13 0.00 -1.22 6.09 -0.86 0.20 117.51 122.86 2fvt h ILE 113 Ca -0.00 -0.54 -0.27 0.00 -1.37 0.00 0.00 64.86 62.68 2fvt h ILE 113 Cb 0.38 1.05 -0.05 0.00 0.47 0.00 0.00 36.82 38.68 2fvt h ILE 113 CO 0.02 0.18 -1.63 1.23 -3.07 0.00 0.00 178.15 174.88 2fvt h GLY 114 N 0.58 0.00 0.40 8.18 0.00 -1.52 -2.92 103.07 107.79 2fvt h GLY 114 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2fvt h GLY 114 CO 0.01 0.00 -0.19 -2.09 0.00 0.00 0.00 176.54 174.26 2fvt h GLU 115 N 0.00 -0.52 0.00 4.80 4.81 -0.66 -3.41 114.58 119.60 2fvt h GLU 115 Ca -0.25 0.04 -0.36 0.00 -0.13 0.00 0.00 59.36 58.65 2fvt h GLU 115 Cb 1.93 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 31.36 2fvt h GLU 115 CO 0.07 -0.35 -2.37 0.54 -0.73 0.00 0.00 179.01 176.17 2fvt n ARG 116 N -4.48 0.74 -0.93 1.92 1.74 0.67 -4.97 116.66 111.34 2fvt n ARG 116 Ca -0.07 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2fvt n ARG 116 Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2fvt n ARG 116 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2fvt n ARG 117 N -2.92 -0.94 -1.16 5.56 3.00 -1.01 -4.80 116.66 114.38 2fvt n ARG 117 Ca -0.37 0.23 0.02 0.00 -0.00 0.00 0.00 57.85 57.73 2fvt n ARG 117 Cb 1.07 -4.09 0.12 0.00 0.00 0.00 0.00 32.46 29.56 2fvt n ARG 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2fvt n ARG 118 N -0.90 1.36 -4.68 -0.14 1.74 -1.26 -4.87 116.66 107.90 2fvt n ARG 118 Ca 0.00 -3.04 -0.33 0.00 -0.77 0.00 0.00 57.85 53.71 2fvt n ARG 118 Cb 0.23 -1.22 -0.12 0.00 -1.02 0.00 0.00 32.46 30.33 2fvt n ARG 118 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2fvt s VAL 119 N -2.48 3.46 -0.05 1.55 0.11 -1.26 0.25 120.40 121.97 2fvt s VAL 119 Ca 0.38 -0.55 0.06 0.00 -2.93 0.00 0.00 61.98 58.94 2fvt s VAL 119 Cb 0.38 -2.42 -0.01 0.00 -1.53 0.00 0.00 36.38 32.79 2fvt s VAL 119 CO -0.08 0.57 -0.24 0.00 -3.33 0.00 0.00 175.10 172.01 2fvt s ALA 120 N -0.39 2.10 -0.21 1.54 0.00 0.01 -3.94 121.76 120.88 2fvt s ALA 120 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2fvt s ALA 120 Cb -0.12 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.39 2fvt s ALA 120 CO 0.02 0.43 -0.15 0.00 0.00 0.00 0.00 175.76 176.06 2fvt s ALA 121 N -0.24 2.47 -0.60 0.00 0.00 0.14 -0.52 121.76 123.01 2fvt s ALA 121 Ca -0.01 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 50.44 2fvt s ALA 121 Cb -0.13 -1.38 0.11 0.00 0.00 0.00 0.00 23.12 21.73 2fvt s ALA 121 CO 0.03 -0.56 0.70 0.00 0.00 0.00 0.00 175.76 175.93 2fvt s ALA 122 N 1.29 3.45 -0.17 0.00 0.00 0.87 -0.21 121.76 126.99 2fvt s ALA 122 Ca 0.02 -2.30 -0.08 0.00 0.00 0.00 0.00 51.96 49.60 2fvt s ALA 122 Cb -0.15 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 2fvt s ALA 122 CO -0.09 -2.34 0.12 -0.51 0.00 0.00 0.00 175.76 172.93 2fvt s LEU 123 N 2.54 4.17 -0.08 0.00 1.43 -0.06 -1.56 118.68 125.12 2fvt s LEU 123 Ca 0.11 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 2fvt s LEU 123 Cb -0.24 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 2fvt s LEU 123 CO 0.05 0.26 -0.17 -0.63 0.23 0.00 0.00 176.35 176.09 2fvt s ILE 124 N -0.11 2.75 0.46 -0.59 1.01 0.14 -1.08 121.20 123.78 2fvt s ILE 124 Ca 0.09 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 2fvt s ILE 124 Cb -0.12 -2.08 0.11 0.00 0.01 0.00 0.00 42.46 40.38 2fvt s ILE 124 CO 0.00 0.56 0.54 0.00 0.00 0.00 0.00 174.94 176.05 2fvt n ALA 125 N 2.88 -0.94 -2.58 9.38 0.00 0.16 -2.37 120.51 127.03 2fvt n ALA 125 Ca -0.18 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.11 2fvt n ALA 125 Cb 0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 2fvt n ALA 125 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fvt s VAL 126 N -2.13 4.81 0.37 0.00 1.01 -1.26 -3.66 120.40 119.53 2fvt s VAL 126 Ca 0.32 0.80 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 2fvt s VAL 126 Cb -0.02 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 2fvt s VAL 126 CO 0.23 -0.35 1.34 -2.16 0.00 0.00 0.00 175.10 174.16 2fvt s PRO 127 N 2.91 4.16 -1.05 2.72 0.04 -1.26 -4.58 135.00 137.94 2fvt s PRO 127 Ca 0.29 2.26 -0.07 0.00 0.04 0.00 0.00 61.00 63.51 2fvt s PRO 127 Cb -0.14 -2.93 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 2fvt s PRO 127 CO 0.15 -0.37 2.95 1.28 0.04 0.00 0.00 177.00 181.05 2fvt n LEU 128 N 0.48 7.55 -0.25 -3.56 4.32 -1.26 -4.36 117.00 119.91 2fvt n LEU 128 Ca 0.02 -4.20 0.11 0.00 -0.02 0.00 0.00 56.01 51.91 2fvt n LEU 128 Cb 0.42 -1.44 0.05 0.00 -1.62 0.00 0.00 43.42 40.83 2fvt n LEU 128 CO 0.59 1.95 0.27 -0.62 -1.22 0.00 0.00 177.39 178.35 2fvt n GLU 129 N 2.55 0.65 -2.24 3.23 1.02 -1.26 -4.92 120.64 119.66 2fvt n GLU 129 Ca 0.63 -0.50 -0.41 0.00 -0.02 0.00 0.00 57.16 56.86 2fvt n GLU 129 Cb 0.42 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 2fvt n GLU 129 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2fvt s HIS 130 N -2.70 3.25 0.00 -0.32 3.76 -1.26 -4.98 115.29 113.04 2fvt s HIS 130 Ca 0.15 1.45 -0.28 0.00 -0.15 0.00 0.00 55.06 56.23 2fvt s HIS 130 Cb 0.18 -3.55 -0.04 0.00 1.11 0.00 0.00 32.58 30.28 2fvt s HIS 130 CO 0.67 -1.49 0.90 -1.01 -0.85 0.00 0.00 174.74 172.96 2fvt s HIS 131 N -0.84 3.66 -0.05 1.40 3.76 -1.26 -5.04 115.29 116.92 2fvt s HIS 131 Ca 0.49 1.59 0.01 0.00 -0.15 0.00 0.00 55.06 57.00 2fvt s HIS 131 Cb -0.37 -3.02 0.02 0.00 1.11 0.00 0.00 32.58 30.33 2fvt s HIS 131 CO 0.46 0.06 -0.03 -3.38 -0.85 0.00 0.00 174.74 171.00 2fvt s HIS 132 N 0.76 0.72 -0.06 1.40 -3.43 -1.26 -5.07 115.29 108.35 2fvt s HIS 132 Ca 0.47 -0.20 -0.06 0.00 -0.80 0.00 0.00 55.06 54.48 2fvt s HIS 132 Cb -0.20 -0.68 -0.02 0.00 -1.43 0.00 0.00 32.58 30.25 2fvt s HIS 132 CO 0.25 -0.22 -0.11 1.58 -2.00 0.00 0.00 174.74 174.25 2fvt n HIS 133 N 4.25 0.14 -3.46 0.38 -0.00 -1.26 -4.91 115.22 110.36 2fvt n HIS 133 Ca -0.22 0.06 -0.37 0.00 0.46 0.00 0.00 57.72 57.65 2fvt n HIS 133 Cb 0.51 -0.29 -0.06 0.00 -0.12 0.00 0.00 29.99 30.03 2fvt n HIS 133 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2fvt s HIS 134 N -1.63 3.57 0.00 1.57 5.65 -1.26 -5.36 115.29 117.83 2fvt s HIS 134 Ca -0.09 0.82 0.00 0.00 0.25 0.00 0.00 55.06 56.04 2fvt s HIS 134 Cb 0.01 -2.38 0.00 0.00 -1.18 0.00 0.00 32.58 29.03 2fvt s HIS 134 CO 0.13 0.36 0.00 1.58 -0.65 0.00 0.00 174.74 176.17