#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fvt n ALA 2 N 0.00 0.00 -1.88 3.04 0.00 -1.26 -0.01 120.51 120.40 2fvt n ALA 2 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2fvt n ALA 2 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2fvt n ALA 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2fvt n GLN 3 N 0.00 0.29 -0.71 0.00 1.13 -1.26 -5.12 117.38 111.71 2fvt n GLN 3 Ca 0.00 -1.50 0.08 0.00 -1.94 0.00 0.00 57.00 53.64 2fvt n GLN 3 Cb 0.00 -0.65 -0.04 0.00 0.11 0.00 0.00 30.24 29.65 2fvt n GLN 3 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2fvt n ARG 4 N -0.23 -1.66 -3.19 -1.09 0.63 0.98 -4.94 116.66 107.15 2fvt n ARG 4 Ca 0.04 1.36 -0.15 0.00 -0.92 0.00 0.00 57.85 58.18 2fvt n ARG 4 Cb 0.75 -1.91 0.06 0.00 0.45 0.00 0.00 32.46 31.80 2fvt n ARG 4 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2fvt n SER 5 N -3.05 -4.29 -4.62 6.15 7.64 -1.26 -4.92 113.62 109.27 2fvt n SER 5 Ca -0.04 -0.38 -0.43 0.00 1.01 0.00 0.00 58.87 59.02 2fvt n SER 5 Cb 0.33 -3.63 -0.03 0.00 -1.01 0.00 0.00 64.21 59.87 2fvt n SER 5 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2fvt s GLU 6 N -5.67 3.58 -0.18 1.43 2.02 -1.26 -4.98 118.70 113.64 2fvt s GLU 6 Ca 0.31 1.59 -0.03 0.00 0.02 0.00 0.00 54.97 56.85 2fvt s GLU 6 Cb -0.13 -4.12 -0.02 0.00 0.10 0.00 0.00 34.13 29.96 2fvt s GLU 6 CO 0.50 -1.56 -0.06 0.96 0.02 0.00 0.00 175.26 175.13 2fvt s ILE 7 N 6.01 3.53 -0.64 -1.63 -4.36 -1.26 -5.08 121.20 117.76 2fvt s ILE 7 Ca 0.76 -0.47 -0.22 0.00 -0.26 0.00 0.00 60.65 60.46 2fvt s ILE 7 Cb -0.24 -2.56 0.07 0.00 1.25 0.00 0.00 42.46 40.98 2fvt s ILE 7 CO 0.32 0.47 0.94 -2.16 0.24 0.00 0.00 174.94 174.75 2fvt s PRO 8 N 0.84 3.12 -0.09 0.37 0.04 -1.26 -4.99 135.00 133.03 2fvt s PRO 8 Ca -0.02 -0.81 -0.01 0.00 0.04 0.00 0.00 61.00 60.20 2fvt s PRO 8 Cb -0.15 -4.21 0.03 0.00 0.04 0.00 0.00 34.50 30.21 2fvt s PRO 8 CO 0.01 -1.76 -0.00 -1.01 0.04 0.00 0.00 177.00 174.28 2fvt s HIS 9 N 3.95 0.78 -0.23 0.56 3.76 -1.26 -5.04 115.29 117.81 2fvt s HIS 9 Ca 0.22 -0.30 -0.05 0.00 -0.15 0.00 0.00 55.06 54.79 2fvt s HIS 9 Cb -0.17 -0.87 -0.01 0.00 1.11 0.00 0.00 32.58 32.64 2fvt s HIS 9 CO 0.11 -0.38 -0.01 -0.06 -0.85 0.00 0.00 174.74 173.55 2fvt s PHE 10 N 1.94 3.00 -1.40 1.40 0.08 -1.26 -5.03 117.98 116.71 2fvt s PHE 10 Ca 0.04 -0.83 -0.15 0.00 0.12 0.00 0.00 56.93 56.11 2fvt s PHE 10 Cb -0.13 -2.15 0.03 0.00 -0.57 0.00 0.00 43.02 40.20 2fvt s PHE 10 CO -0.06 -0.51 2.18 -0.35 -0.10 0.00 0.00 175.22 176.39 2fvt n PRO 11 N 4.83 2.77 -2.48 0.24 -0.04 -1.26 -4.13 135.00 134.93 2fvt n PRO 11 Ca -0.17 -2.58 -0.04 0.00 -0.04 0.00 0.00 63.50 60.67 2fvt n PRO 11 Cb 0.51 -3.28 -0.03 0.00 -0.04 0.00 0.00 33.50 30.66 2fvt n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2fvt n ARG 12 N 6.29 -3.73 -3.90 0.54 3.00 -0.85 -5.06 116.66 112.94 2fvt n ARG 12 Ca 0.52 2.91 -0.13 0.00 -0.01 0.00 0.00 57.85 61.14 2fvt n ARG 12 Cb 0.39 -4.64 -0.14 0.00 0.00 0.00 0.00 32.46 28.07 2fvt n ARG 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2fvt s THR 13 N -0.84 0.06 0.00 0.55 -1.32 -1.26 -5.01 115.64 107.81 2fvt s THR 13 Ca -0.18 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 2fvt s THR 13 Cb 0.01 -0.08 0.00 0.00 -1.51 0.00 0.00 72.50 70.93 2fvt s THR 13 CO 0.69 0.03 0.82 0.00 -2.21 0.00 0.00 174.62 173.95 2fvt n ALA 14 N 3.23 1.97 -2.89 11.08 0.00 -1.26 -4.75 120.51 127.89 2fvt n ALA 14 Ca -0.15 -0.66 -0.44 0.00 0.00 0.00 0.00 53.44 52.20 2fvt n ALA 14 Cb 0.58 -0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 3.28 -0.37 0.00 0.00 -1.26 -4.84 121.76 118.58 2fvt s ALA 15 Ca 0.00 -1.86 -0.12 0.00 0.00 0.00 0.00 51.96 49.98 2fvt s ALA 15 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.52 2fvt s ALA 15 CO 0.00 -2.40 0.22 0.42 0.00 0.00 0.00 175.76 174.01 2fvt s ILE 16 N 3.25 4.83 0.00 0.00 1.01 -1.26 -3.97 121.20 125.07 2fvt s ILE 16 Ca 0.18 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 2fvt s ILE 16 Cb -0.19 -3.63 -0.23 0.00 0.01 0.00 0.00 42.46 38.42 2fvt s ILE 16 CO 0.10 -0.17 1.10 -0.78 0.00 0.00 0.00 174.94 175.19 2fvt h ASP 17 N 8.48 0.50 -5.08 3.58 3.58 -1.75 -3.48 116.42 122.25 2fvt h ASP 17 Ca -0.28 -0.75 0.09 0.00 0.42 0.00 0.00 57.03 56.51 2fvt h ASP 17 Cb 1.12 -0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.95 2fvt h ASP 17 CO 0.67 1.19 0.32 0.00 -2.88 0.00 0.00 179.24 178.53 2fvt s ALA 18 N -3.24 -1.42 0.07 -0.78 0.00 -1.00 -5.04 121.76 110.35 2fvt s ALA 18 Ca -0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 2fvt s ALA 18 Cb 0.03 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.94 2fvt s ALA 18 CO 0.81 -0.99 0.27 1.52 0.00 0.00 0.00 175.76 177.37 2fvt s TYR 19 N -3.67 -0.01 0.00 0.00 1.13 -1.26 -0.12 117.35 113.42 2fvt s TYR 19 Ca 0.10 -0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.48 2fvt s TYR 19 Cb -0.04 0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 2fvt s TYR 19 CO 0.02 -0.55 0.00 0.41 -2.51 0.00 0.00 175.55 172.93 2fvt n GLY 20 N 0.21 -0.34 3.57 5.49 0.00 0.19 -4.98 105.19 109.33 2fvt n GLY 20 Ca -0.17 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2fvt n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fvt s LYS 21 N 0.00 2.98 0.00 1.61 2.36 -1.26 -1.87 119.74 123.56 2fvt s LYS 21 Ca 0.00 0.94 0.00 0.00 -2.55 0.00 0.00 55.97 54.36 2fvt s LYS 21 Cb 0.00 -4.28 0.00 0.00 -1.05 0.00 0.00 37.83 32.50 2fvt s LYS 21 CO 0.00 -2.30 0.00 0.41 1.55 0.00 0.00 175.35 175.01 2fvt n GLY 22 N 5.54 0.80 0.00 5.54 0.00 -1.26 -4.97 105.19 110.83 2fvt n GLY 22 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.93 0.16 3.90 -0.02 0.00 -0.78 -3.51 105.19 104.01 2fvt n GLY 23 Ca 0.00 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 3.49 -0.30 1.61 0.40 0.54 -0.64 117.98 123.07 2fvt s PHE 24 Ca 0.00 0.56 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 2fvt s PHE 24 Cb 0.00 -2.00 0.08 0.00 0.51 0.00 0.00 43.02 41.60 2fvt s PHE 24 CO 0.00 0.46 -0.02 -0.47 0.70 0.00 0.00 175.22 175.89 2fvt s TYR 25 N -1.60 3.47 0.31 0.36 6.14 0.83 -2.35 117.35 124.51 2fvt s TYR 25 Ca 0.39 -2.54 0.03 0.00 0.64 0.00 0.00 57.07 55.59 2fvt s TYR 25 Cb -0.12 -2.39 -0.02 0.00 0.42 0.00 0.00 41.96 39.84 2fvt s TYR 25 CO 0.24 -0.90 0.30 -0.59 0.64 0.00 0.00 175.55 175.24 2fvt s PHE 26 N 1.04 1.46 0.04 4.97 -0.71 -1.19 -1.83 117.98 121.76 2fvt s PHE 26 Ca -0.00 -1.50 -0.30 0.00 -1.04 0.00 0.00 56.93 54.08 2fvt s PHE 26 Cb -0.20 -0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 41.03 2fvt s PHE 26 CO -0.06 -0.89 1.36 0.00 -1.34 0.00 0.00 175.22 174.29 2fvt s ALA 27 N -3.50 3.55 0.00 1.99 0.00 -1.25 -3.86 121.76 118.68 2fvt s ALA 27 Ca 0.38 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2fvt s ALA 27 Cb 0.02 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2fvt s ALA 27 CO 0.23 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2fvt n GLY 28 N 3.52 2.19 3.43 0.00 0.00 -1.26 -4.99 105.19 108.08 2fvt n GLY 28 Ca 0.12 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 1.54 0.30 1.61 -1.94 -1.25 -5.16 119.30 114.40 2fvt s MET 29 Ca 0.00 -1.76 -0.13 0.00 -1.71 0.00 0.00 55.69 52.09 2fvt s MET 29 Cb 0.00 -1.27 0.01 0.00 2.01 0.00 0.00 34.83 35.58 2fvt s MET 29 CO 0.00 0.11 0.58 -1.12 -0.01 0.00 0.00 175.02 174.59 2fvt s SER 30 N -3.44 0.07 -1.18 3.03 0.01 -1.26 -3.20 113.70 107.73 2fvt s SER 30 Ca 0.28 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2fvt s SER 30 Cb 0.02 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2fvt s SER 30 CO 0.12 -1.31 0.00 1.57 0.41 0.00 0.00 173.24 174.02 2fvt n HIS 31 N -0.46 -0.36 -3.70 2.43 -0.00 -0.99 -4.97 115.22 107.18 2fvt n HIS 31 Ca -0.03 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.33 2fvt n HIS 31 Cb 0.61 -2.59 -0.10 0.00 -0.00 0.00 0.00 29.99 27.90 2fvt n HIS 31 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2fvt s GLN 32 N -4.00 4.00 -0.13 1.57 -1.52 -1.23 -4.75 119.66 113.60 2fvt s GLN 32 Ca 0.00 -0.31 -0.09 0.00 -1.95 0.00 0.00 55.36 53.01 2fvt s GLN 32 Cb 0.00 -3.50 -0.06 0.00 -0.22 0.00 0.00 33.01 29.23 2fvt s GLN 32 CO 0.00 0.02 0.06 0.78 -0.25 0.00 0.00 175.29 175.90 2fvt h GLY 33 N 7.63 0.00 -6.55 3.09 0.00 -1.93 0.15 103.07 105.46 2fvt h GLY 33 Ca -0.37 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.29 2fvt h GLY 33 CO 0.64 0.00 -0.77 -0.56 0.00 0.00 0.00 176.54 175.85 2fvt s SER 34 N -5.83 3.89 0.04 0.19 0.01 -1.26 -0.58 113.70 110.16 2fvt s SER 34 Ca -0.10 -0.48 0.05 0.00 1.31 0.00 0.00 55.95 56.73 2fvt s SER 34 Cb 0.01 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.57 2fvt s SER 34 CO 0.22 -0.01 -0.15 -0.76 0.41 0.00 0.00 173.24 172.95 2fvt s LEU 35 N 1.41 2.17 -0.43 2.44 1.43 -0.28 -2.32 118.68 123.11 2fvt s LEU 35 Ca 0.05 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 2fvt s LEU 35 Cb -0.14 -0.66 0.11 0.00 0.03 0.00 0.00 46.19 45.52 2fvt s LEU 35 CO -0.07 0.05 0.25 -0.22 0.23 0.00 0.00 176.35 176.59 2fvt s LEU 36 N -1.16 5.32 -0.42 1.79 0.20 0.55 -1.12 118.68 123.84 2fvt s LEU 36 Ca 0.02 -1.89 -0.29 0.00 0.69 0.00 0.00 54.13 52.67 2fvt s LEU 36 Cb -0.08 -1.90 0.02 0.00 -0.43 0.00 0.00 46.19 43.80 2fvt s LEU 36 CO 0.01 -0.58 1.09 -0.36 -0.29 0.00 0.00 176.35 176.23 2fvt s PHE 37 N 1.26 2.94 0.18 5.38 0.40 0.11 -0.97 117.98 127.28 2fvt s PHE 37 Ca 0.06 0.85 0.05 0.00 -0.60 0.00 0.00 56.93 57.29 2fvt s PHE 37 Cb -0.24 -4.13 -0.04 0.00 0.51 0.00 0.00 43.02 39.13 2fvt s PHE 37 CO -0.02 -1.08 0.18 -0.51 0.70 0.00 0.00 175.22 174.49 2fvt s LEU 38 N 4.11 3.91 0.10 -0.37 1.43 -0.29 -0.82 118.68 126.74 2fvt s LEU 38 Ca 0.46 -0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.55 2fvt s LEU 38 Cb -0.09 -2.50 0.43 0.00 0.03 0.00 0.00 46.19 44.06 2fvt s LEU 38 CO 0.26 0.05 1.26 -2.65 0.23 0.00 0.00 176.35 175.49 2fvt n PRO 39 N -0.54 0.05 -0.11 1.29 -0.02 -1.26 -2.28 135.00 132.13 2fvt n PRO 39 Ca -0.08 0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 61.77 2fvt n PRO 39 Cb 0.55 -1.64 -0.10 0.00 -0.02 0.00 0.00 33.50 32.28 2fvt n PRO 39 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2fvt n ASP 40 N -1.74 2.20 -3.74 2.55 5.75 -1.26 -4.82 116.55 115.48 2fvt n ASP 40 Ca 0.00 -0.11 -0.06 0.00 -0.01 0.00 0.00 54.79 54.62 2fvt n ASP 40 Cb 0.04 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 39.87 2fvt n ASP 40 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2fvt s ALA 41 N -2.43 -1.53 -0.23 2.12 0.00 -0.97 -2.00 121.76 116.72 2fvt s ALA 41 Ca -0.28 0.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 2fvt s ALA 41 Cb 0.07 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 2fvt s ALA 41 CO 0.52 -0.99 0.44 0.08 0.00 0.00 0.00 175.76 175.80 2fvt s VAL 42 N -3.50 5.14 0.11 0.00 1.01 -1.26 -1.14 120.40 120.76 2fvt s VAL 42 Ca 0.10 0.75 0.06 0.00 0.00 0.00 0.00 61.98 62.89 2fvt s VAL 42 Cb -0.03 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2fvt s VAL 42 CO 0.02 0.17 -0.01 0.26 0.00 0.00 0.00 175.10 175.54 2fvt s TRP 43 N 1.82 2.92 -0.11 5.22 0.52 -0.14 -4.81 118.94 124.36 2fvt s TRP 43 Ca 0.19 -0.07 -0.29 0.00 0.02 0.00 0.00 56.10 55.96 2fvt s TRP 43 Cb -0.15 -1.49 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 2fvt s TRP 43 CO 0.09 0.48 0.96 0.20 0.02 0.00 0.00 176.95 178.70 2fvt s GLY 44 N -2.43 2.34 -0.52 0.98 0.00 -1.26 -0.33 107.32 106.09 2fvt s GLY 44 Ca 0.25 0.31 0.03 0.00 0.00 0.00 0.00 44.72 45.32 2fvt s GLY 44 CO 0.18 1.84 0.33 0.86 0.00 0.00 0.00 173.10 176.30 2fvt s TRP 45 N 1.96 2.46 -1.26 1.90 -0.00 -0.98 -4.79 118.94 118.23 2fvt s TRP 45 Ca 0.46 -2.77 -0.20 0.00 -0.00 0.00 0.00 56.10 53.59 2fvt s TRP 45 Cb -0.18 -2.11 0.02 0.00 -0.00 0.00 0.00 33.47 31.20 2fvt s TRP 45 CO 0.17 -0.72 1.80 0.34 -0.00 0.00 0.00 176.95 178.54 2fvt s ASP 46 N -0.28 6.27 -0.23 5.86 -1.08 -1.26 -4.16 116.67 121.79 2fvt s ASP 46 Ca 0.22 -2.19 -0.01 0.00 -0.52 0.00 0.00 52.55 50.04 2fvt s ASP 46 Cb -0.15 -2.58 0.07 0.00 -1.46 0.00 0.00 42.92 38.80 2fvt s ASP 46 CO -0.07 -1.77 0.03 -0.69 0.52 0.00 0.00 175.17 173.18 2fvt s VAL 47 N 6.36 0.90 0.08 1.11 1.01 -1.26 -5.02 120.40 123.58 2fvt s VAL 47 Ca 0.58 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2fvt s VAL 47 Cb 0.02 -1.41 -0.23 0.00 0.00 0.00 0.00 36.38 34.76 2fvt s VAL 47 CO 0.09 -0.30 1.15 0.74 0.00 0.00 0.00 175.10 176.78 2fvt h THR 48 N 6.55 1.53 -3.61 3.92 2.02 -1.98 -3.45 112.91 117.89 2fvt h THR 48 Ca -0.16 -3.23 -0.63 0.00 0.77 0.00 0.00 66.41 63.17 2fvt h THR 48 Cb 1.08 2.81 -0.16 0.00 -1.74 0.00 0.00 68.15 70.14 2fvt h THR 48 CO 0.39 0.89 -0.52 -0.54 0.37 0.00 0.00 175.52 176.11 2fvt s LYS 49 N -2.68 4.01 0.55 6.66 1.02 -1.26 -4.94 119.74 123.09 2fvt s LYS 49 Ca -0.01 -0.30 0.35 0.00 0.02 0.00 0.00 55.97 56.03 2fvt s LYS 49 Cb 0.09 -3.51 1.63 0.00 -0.52 0.00 0.00 37.83 35.53 2fvt s LYS 49 CO 0.83 0.02 2.06 -1.00 -0.92 0.00 0.00 175.35 176.35 2fvt h PRO 50 N 7.63 0.00 0.00 -1.68 0.13 -1.93 -1.50 132.00 134.65 2fvt h PRO 50 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2fvt h PRO 50 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2fvt h PRO 50 CO 0.64 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 2fvt n GLU 51 N -2.96 0.13 -0.63 0.86 1.02 -1.26 -3.57 120.64 114.22 2fvt n GLU 51 Ca -0.00 0.12 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 2fvt n GLU 51 Cb 0.22 -1.65 0.34 0.00 -0.02 0.00 0.00 31.44 30.32 2fvt n GLU 51 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2fvt n GLN 52 N -1.88 3.78 -2.77 3.49 7.27 -0.56 -4.90 117.38 121.80 2fvt n GLN 52 Ca 0.06 -2.67 -0.43 0.00 0.07 0.00 0.00 57.00 54.03 2fvt n GLN 52 Cb 0.37 -1.94 -0.03 0.00 2.41 0.00 0.00 30.24 31.05 2fvt n GLN 52 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2fvt s ILE 53 N -2.03 4.56 0.00 1.69 1.01 -1.23 -4.68 121.20 120.52 2fvt s ILE 53 Ca 0.47 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.44 2fvt s ILE 53 Cb 0.32 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2fvt s ILE 53 CO 0.20 -0.53 0.00 -0.67 0.00 0.00 0.00 174.94 173.94 2fvt n ASP 54 N 6.81 0.00 -0.30 3.58 2.03 -1.26 -4.98 116.55 122.44 2fvt n ASP 54 Ca 0.08 -0.96 0.07 0.00 0.52 0.00 0.00 54.79 54.50 2fvt n ASP 54 Cb 0.48 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.16 2fvt n ASP 54 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2fvt h ARG 55 N 0.00 0.89 -0.87 -0.67 2.47 -1.93 0.18 114.38 114.45 2fvt h ARG 55 Ca 0.00 -0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.71 2fvt h ARG 55 Cb 0.00 -0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.07 2fvt h ARG 55 CO 0.00 0.59 0.57 -0.92 0.56 0.00 0.00 179.97 180.77 2fvt h TYR 56 N 0.92 1.04 0.14 3.04 3.20 -1.96 0.94 116.97 124.29 2fvt h TYR 56 Ca 0.42 0.03 -0.32 0.00 3.14 0.00 0.00 58.73 62.00 2fvt h TYR 56 Cb 0.39 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 2fvt h TYR 56 CO -0.00 0.59 -1.57 0.77 -1.64 0.00 0.00 178.16 176.31 2fvt h SER 57 N 1.06 0.46 -0.58 -2.11 0.02 -1.41 -3.33 113.55 107.67 2fvt h SER 57 Ca 0.36 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2fvt h SER 57 Cb 0.08 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2fvt h SER 57 CO -0.11 1.53 0.00 0.18 -1.14 0.00 0.00 176.83 177.29 2fvt n LEU 58 N -3.50 4.40 -0.29 5.07 4.77 0.49 -4.37 117.00 123.57 2fvt n LEU 58 Ca -0.18 -2.22 -0.04 0.00 -0.03 0.00 0.00 56.01 53.54 2fvt n LEU 58 Cb 1.05 -0.56 0.07 0.00 -2.33 0.00 0.00 43.42 41.66 2fvt n LEU 58 CO 0.51 0.72 1.20 -0.61 -1.33 0.00 0.00 177.39 177.88 2fvt h GLN 59 N 3.66 1.05 0.00 3.23 5.75 -0.93 -0.03 115.11 127.83 2fvt h GLN 59 Ca 0.00 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 2fvt h GLN 59 Cb 1.37 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.68 2fvt h GLN 59 CO 0.23 0.69 -0.36 -0.09 -2.65 0.00 0.00 178.83 176.66 2fvt h ARG 60 N 1.08 0.00 -0.01 1.69 2.43 -1.86 -2.13 114.38 115.57 2fvt h ARG 60 Ca 0.29 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2fvt h ARG 60 Cb -0.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2fvt h ARG 60 CO -0.06 0.36 -0.01 0.28 -1.51 0.00 0.00 179.97 179.03 2fvt h VAL 61 N 0.00 1.34 -0.46 0.20 2.07 -1.33 -1.06 116.25 117.01 2fvt h VAL 61 Ca -0.00 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 2fvt h VAL 61 Cb 0.68 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 2fvt h VAL 61 CO 0.05 0.27 0.07 -0.26 0.02 0.00 0.00 177.57 177.72 2fvt h PHE 62 N -0.39 0.74 -0.22 1.57 0.04 -1.21 0.13 116.94 117.60 2fvt h PHE 62 Ca 0.00 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 2fvt h PHE 62 Cb 0.44 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2fvt h PHE 62 CO 0.07 0.66 -0.17 0.22 -0.60 0.00 0.00 178.31 178.49 2fvt h ASP 63 N 0.69 0.37 -0.40 2.17 3.58 -1.27 -2.89 116.42 118.67 2fvt h ASP 63 Ca 0.15 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2fvt h ASP 63 Cb 0.32 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2fvt h ASP 63 CO 0.00 0.56 0.00 0.59 -2.88 0.00 0.00 179.24 177.51 2fvt n ASN 64 N -4.20 3.50 0.14 2.28 3.02 -0.41 -4.51 115.26 115.09 2fvt n ASN 64 Ca -0.00 -2.31 0.12 0.00 -0.03 0.00 0.00 54.58 52.36 2fvt n ASN 64 Cb 0.33 -0.38 0.53 0.00 -0.61 0.00 0.00 39.78 39.65 2fvt n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fvt n ALA 65 N 0.45 1.41 0.33 5.41 0.00 0.42 -1.22 120.51 127.31 2fvt n ALA 65 Ca 0.17 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.87 2fvt n ALA 65 Cb 0.62 -1.36 0.57 0.00 0.00 0.00 0.00 19.45 19.28 2fvt n ALA 65 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2fvt h ASN 66 N 0.00 0.00 -0.08 0.00 7.08 -1.80 -1.99 115.58 118.78 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 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.46 2fvt h ASN 66 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.35 2fvt n ALA 67 N -1.84 2.18 -2.36 4.14 0.00 -0.36 -5.02 120.51 117.26 2fvt n ALA 67 Ca 0.01 -1.54 -0.29 0.00 0.00 0.00 0.00 53.44 51.62 2fvt n ALA 67 Cb 0.20 -0.23 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.62 2.01 0.05 0.00 1.01 -0.75 -4.57 121.20 117.33 2fvt s ILE 68 Ca 0.16 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.54 2fvt s ILE 68 Cb 0.12 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.88 2fvt s ILE 68 CO 0.04 0.40 0.00 -0.67 0.00 0.00 0.00 174.94 174.71 2fvt n ASP 69 N 1.99 0.29 -4.46 3.58 2.03 0.89 -4.92 116.55 115.95 2fvt n ASP 69 Ca -0.17 0.07 -0.34 0.00 0.52 0.00 0.00 54.79 54.87 2fvt n ASP 69 Cb 0.52 -0.07 -0.12 0.00 -0.72 0.00 0.00 41.12 40.73 2fvt n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2fvt s THR 70 N -2.00 3.92 -0.31 5.18 2.01 -1.07 -2.24 115.64 121.14 2fvt s THR 70 Ca 0.00 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 2fvt s THR 70 Cb 0.00 -2.75 0.03 0.00 0.01 0.00 0.00 72.50 69.78 2fvt s THR 70 CO 0.00 0.45 0.06 -0.22 -0.69 0.00 0.00 174.62 174.23 2fvt s LEU 71 N 0.78 3.95 -0.21 4.42 1.98 0.11 -1.31 118.68 128.40 2fvt s LEU 71 Ca -0.00 -0.95 -0.10 0.00 -2.89 0.00 0.00 54.13 50.19 2fvt s LEU 71 Cb -0.14 -1.83 -0.05 0.00 0.66 0.00 0.00 46.19 44.82 2fvt s LEU 71 CO 0.02 -0.24 0.14 -0.63 -1.89 0.00 0.00 176.35 173.75 2fvt s ILE 72 N 1.42 5.39 -0.20 6.68 1.01 0.12 -0.01 121.20 135.61 2fvt s ILE 72 Ca -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 2fvt s ILE 72 Cb -0.18 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.82 2fvt s ILE 72 CO 0.01 0.41 -0.14 -0.69 0.00 0.00 0.00 174.94 174.54 2fvt s VAL 73 N 0.56 2.58 -0.72 2.92 1.01 0.13 -0.01 120.40 126.86 2fvt s VAL 73 Ca 0.08 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 2fvt s VAL 73 Cb -0.12 -2.13 0.19 0.00 0.00 0.00 0.00 36.38 34.32 2fvt s VAL 73 CO -0.00 0.49 0.66 -0.83 0.00 0.00 0.00 175.10 175.43 2fvt s GLY 74 N 1.36 2.46 -0.87 4.51 0.00 0.66 -1.19 107.32 114.25 2fvt s GLY 74 Ca 0.05 -3.05 -0.07 0.00 0.00 0.00 0.00 44.72 41.65 2fvt s GLY 74 CO -0.09 1.23 3.09 -1.30 0.00 0.00 0.00 173.10 176.03 2fvt n THR 75 N 4.40 3.88 -4.13 0.90 -2.24 -0.93 -1.21 114.28 114.95 2fvt n THR 75 Ca 0.04 -2.52 0.00 0.00 -2.27 0.00 0.00 64.05 59.30 2fvt n THR 75 Cb 0.44 -2.19 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 2fvt n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fvt n GLY 76 N 2.58 0.62 0.94 3.38 0.00 -1.09 -3.27 105.19 108.35 2fvt n GLY 76 Ca 0.60 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 7.96 2.44 -2.38 4.61 0.00 -1.26 -1.05 120.51 130.83 2fvt n ALA 77 Ca 0.00 -0.86 -0.19 0.00 0.00 0.00 0.00 53.44 52.39 2fvt n ALA 77 Cb 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 2fvt n ALA 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2fvt s ASP 78 N -1.24 2.46 -0.53 0.00 2.15 -1.20 -4.90 116.67 113.40 2fvt s ASP 78 Ca 0.36 -1.14 -0.12 0.00 0.43 0.00 0.00 52.55 52.08 2fvt s ASP 78 Cb 0.19 -0.11 0.13 0.00 -0.30 0.00 0.00 42.92 42.83 2fvt s ASP 78 CO 0.27 -0.33 0.45 -0.69 -0.17 0.00 0.00 175.17 174.69 2fvt s VAL 79 N -3.10 4.73 -0.16 1.11 1.01 -1.26 -4.12 120.40 118.59 2fvt s VAL 79 Ca 0.27 -1.76 -0.23 0.00 0.00 0.00 0.00 61.98 60.26 2fvt s VAL 79 Cb 0.03 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2fvt s VAL 79 CO 0.09 -0.84 0.73 0.86 0.00 0.00 0.00 175.10 175.94 2fvt s TRP 80 N 1.33 3.43 -0.42 5.22 -0.00 -1.26 -5.02 118.94 122.22 2fvt s TRP 80 Ca 0.06 1.12 -0.22 0.00 -0.00 0.00 0.00 56.10 57.06 2fvt s TRP 80 Cb -0.26 -2.89 0.02 0.00 -0.00 0.00 0.00 33.47 30.33 2fvt s TRP 80 CO 0.00 -0.16 0.74 0.42 -0.00 0.00 0.00 176.95 177.96 2fvt s ILE 81 N 1.83 4.72 0.26 5.86 1.01 -1.26 -4.85 121.20 128.78 2fvt s ILE 81 Ca 0.34 0.51 -0.31 0.00 0.00 0.00 0.00 60.65 61.19 2fvt s ILE 81 Cb -0.16 -4.25 -0.11 0.00 0.01 0.00 0.00 42.46 37.94 2fvt s ILE 81 CO 0.12 -0.58 1.64 0.00 0.00 0.00 0.00 174.94 176.12 2fvt s ALA 82 N 3.11 3.82 0.78 9.38 0.00 -1.26 -4.97 121.76 132.61 2fvt s ALA 82 Ca 0.28 1.57 -0.13 0.00 0.00 0.00 0.00 51.96 53.68 2fvt s ALA 82 Cb -0.13 -3.66 0.07 0.00 0.00 0.00 0.00 23.12 19.39 2fvt s ALA 82 CO 0.20 -0.95 1.17 -1.25 0.00 0.00 0.00 175.76 174.93 2fvt s PRO 83 N 0.16 1.91 0.34 0.00 0.04 -1.26 -4.66 135.00 131.52 2fvt s PRO 83 Ca 0.68 1.62 0.09 0.00 0.04 0.00 0.00 61.00 63.42 2fvt s PRO 83 Cb -0.48 -1.82 0.81 0.00 0.04 0.00 0.00 34.50 33.05 2fvt s PRO 83 CO 0.42 -1.98 1.82 -0.09 0.04 0.00 0.00 177.00 177.21 2fvt h ARG 84 N -0.77 0.68 0.08 4.56 2.43 -1.97 0.90 114.38 120.29 2fvt h ARG 84 Ca -0.46 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2fvt h ARG 84 Cb 1.28 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 2fvt h ARG 84 CO 0.48 0.45 -0.48 1.96 -1.51 0.00 0.00 179.97 180.87 2fvt h GLN 85 N 0.70 -0.66 -0.27 0.20 4.20 -1.99 0.35 115.11 117.64 2fvt h GLN 85 Ca 0.52 0.04 -0.17 0.00 0.06 0.00 0.00 58.65 59.10 2fvt h GLN 85 Cb 0.87 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2fvt h GLN 85 CO -0.28 -0.44 -0.49 1.25 -0.67 0.00 0.00 178.83 178.20 2fvt h LEU 86 N -0.68 0.90 -0.48 1.46 5.85 -1.76 -2.65 115.31 117.94 2fvt h LEU 86 Ca 0.02 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 2fvt h LEU 86 Cb 0.72 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2fvt h LEU 86 CO -0.29 1.26 0.29 -0.09 -0.34 0.00 0.00 178.44 179.27 2fvt h ARG 87 N 0.57 0.66 -0.56 1.25 2.43 -0.62 -1.03 114.38 117.08 2fvt h ARG 87 Ca 0.01 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2fvt h ARG 87 Cb 1.10 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 2fvt h ARG 87 CO 0.11 0.49 -0.04 1.49 -1.51 0.00 0.00 179.97 180.51 2fvt h GLU 88 N 0.65 1.01 -0.50 0.20 4.81 -0.34 -0.40 114.58 120.00 2fvt h GLU 88 Ca 0.17 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2fvt h GLU 88 Cb 0.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2fvt h GLU 88 CO -0.03 1.01 0.32 0.00 -0.73 0.00 0.00 179.01 179.58 2fvt h ALA 89 N 1.03 0.64 -0.02 2.92 0.00 -1.07 0.33 119.26 123.09 2fvt h ALA 89 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2fvt h ALA 89 Cb 0.59 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2fvt h ALA 89 CO 0.04 0.06 -0.03 -0.07 0.00 0.00 0.00 179.25 179.24 2fvt h LEU 90 N 0.66 0.07 -0.06 0.00 3.38 -1.01 -3.17 115.31 115.16 2fvt h LEU 90 Ca 0.19 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2fvt h LEU 90 Cb -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2fvt h LEU 90 CO -0.06 0.56 0.00 -1.14 0.09 0.00 0.00 178.44 177.89 2fvt n ARG 91 N -4.79 0.03 0.26 1.13 0.63 -0.18 -2.01 116.66 111.73 2fvt n ARG 91 Ca -0.08 0.17 0.11 0.00 -0.92 0.00 0.00 57.85 57.13 2fvt n ARG 91 Cb 0.28 -1.55 0.69 0.00 0.45 0.00 0.00 32.46 32.32 2fvt n ARG 91 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2fvt h GLY 92 N 3.52 0.00 -2.26 5.14 0.00 -0.89 0.09 103.07 108.67 2fvt h GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fvt h GLY 92 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.92 2fvt n VAL 93 N -3.82 0.68 -1.74 4.60 0.31 -0.85 -4.91 118.33 112.59 2fvt n VAL 93 Ca -0.02 -0.79 -0.14 0.00 -0.01 0.00 0.00 64.34 63.38 2fvt n VAL 93 Cb 0.23 0.65 -0.04 0.00 -0.91 0.00 0.00 33.84 33.76 2fvt n VAL 93 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2fvt n ASN 94 N 1.37 -4.55 -4.66 4.52 5.15 0.02 -4.96 115.26 112.16 2fvt n ASN 94 Ca 0.21 0.21 -0.43 0.00 -0.60 0.00 0.00 54.58 53.97 2fvt n ASN 94 Cb 0.56 -3.45 -0.02 0.00 -0.53 0.00 0.00 39.78 36.33 2fvt n ASN 94 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2fvt s VAL 95 N -2.59 4.13 -0.36 3.44 1.01 -1.12 -4.95 120.40 119.95 2fvt s VAL 95 Ca 0.00 1.36 -0.29 0.00 0.00 0.00 0.00 61.98 63.05 2fvt s VAL 95 Cb 0.00 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 2fvt s VAL 95 CO 0.00 -0.13 1.58 -0.69 0.00 0.00 0.00 175.10 175.86 2fvt s VAL 96 N 3.66 3.71 -0.36 2.92 1.01 -0.95 -4.22 120.40 126.17 2fvt s VAL 96 Ca 0.59 0.73 -0.20 0.00 0.00 0.00 0.00 61.98 63.10 2fvt s VAL 96 Cb -0.24 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2fvt s VAL 96 CO 0.18 -0.58 0.60 -0.22 0.00 0.00 0.00 175.10 175.08 2fvt s LEU 97 N 6.01 4.29 -0.33 3.92 2.96 -1.26 0.04 118.68 134.31 2fvt s LEU 97 Ca 0.70 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 2fvt s LEU 97 Cb -0.18 -2.73 0.09 0.00 0.50 0.00 0.00 46.19 43.87 2fvt s LEU 97 CO 0.33 -0.57 0.03 -0.62 -1.32 0.00 0.00 176.35 174.19 2fvt s ASP 98 N 1.79 4.73 -0.08 3.68 2.15 0.99 -4.97 116.67 124.95 2fvt s ASP 98 Ca 0.23 -2.05 0.02 0.00 0.43 0.00 0.00 52.55 51.18 2fvt s ASP 98 Cb -0.15 -1.62 -0.02 0.00 -0.30 0.00 0.00 42.92 40.83 2fvt s ASP 98 CO 0.15 -0.35 -0.12 -0.89 -0.17 0.00 0.00 175.17 173.78 2fvt s THR 99 N 0.93 3.21 0.05 1.71 2.01 -1.26 0.17 115.64 122.46 2fvt s THR 99 Ca 0.08 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 2fvt s THR 99 Cb -0.19 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.04 2fvt s THR 99 CO -0.08 0.57 0.23 1.15 -0.69 0.00 0.00 174.62 175.80 2fvt n MET 100 N 2.72 0.18 -2.27 4.92 0.00 -0.34 -4.93 117.12 117.41 2fvt n MET 100 Ca -0.18 -0.39 -0.36 0.00 0.00 0.00 0.00 57.70 56.77 2fvt n MET 100 Cb 0.52 0.52 -0.01 0.00 0.00 0.00 0.00 33.22 34.25 2fvt n MET 100 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2fvt s GLN 101 N -2.01 3.65 0.23 3.17 0.74 -1.26 -2.19 119.66 122.00 2fvt s GLN 101 Ca 0.05 1.72 -0.06 0.00 0.05 0.00 0.00 55.36 57.12 2fvt s GLN 101 Cb -0.01 -2.29 0.38 0.00 1.10 0.00 0.00 33.01 32.19 2fvt s GLN 101 CO 0.02 -0.63 1.76 1.15 -0.55 0.00 0.00 175.29 177.04 2fvt h THR 102 N 1.68 0.77 0.10 -0.34 2.02 -1.36 -0.45 112.91 115.33 2fvt h THR 102 Ca -0.50 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2fvt h THR 102 Cb 1.25 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2fvt h THR 102 CO 0.59 0.10 -0.18 1.23 0.37 0.00 0.00 175.52 177.63 2fvt h GLY 103 N 0.53 -1.07 0.91 2.16 0.00 -1.92 0.21 103.07 103.88 2fvt h GLY 103 Ca 0.37 0.50 0.12 0.00 0.00 0.00 0.00 47.33 48.31 2fvt h GLY 103 CO -0.32 -0.36 0.44 -2.55 0.00 0.00 0.00 176.54 173.75 2fvt h PRO 104 N -0.30 0.40 -0.67 4.80 0.11 -1.94 -1.86 132.00 132.55 2fvt h PRO 104 Ca -0.01 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 2fvt h PRO 104 Cb 0.28 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 2fvt h PRO 104 CO -0.07 0.27 0.28 0.00 -0.21 0.00 0.00 178.00 178.27 2fvt h ALA 105 N 1.67 0.87 -0.09 -0.75 0.00 -0.52 0.09 119.26 120.53 2fvt h ALA 105 Ca 0.31 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2fvt h ALA 105 Cb 0.66 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2fvt h ALA 105 CO -0.09 0.48 0.03 0.82 0.00 0.00 0.00 179.25 180.49 2fvt h ILE 106 N 0.95 0.98 -0.23 0.00 2.04 0.24 0.29 117.51 121.77 2fvt h ILE 106 Ca 0.23 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.07 2fvt h ILE 106 Cb 0.19 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2fvt h ILE 106 CO -0.02 0.01 0.12 0.03 0.00 0.00 0.00 178.15 178.30 2fvt h ARG 107 N 0.08 0.25 -0.05 2.37 3.08 -1.26 0.13 114.38 118.98 2fvt h ARG 107 Ca 0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2fvt h ARG 107 Cb 0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2fvt h ARG 107 CO -0.04 0.17 0.03 1.15 -1.07 0.00 0.00 179.97 180.20 2fvt h THR 108 N 0.26 1.09 -0.47 2.04 2.02 -0.71 -2.28 112.91 114.86 2fvt h THR 108 Ca 0.09 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2fvt h THR 108 Cb 0.01 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2fvt h THR 108 CO -0.05 0.07 0.26 0.22 0.37 0.00 0.00 175.52 176.39 2fvt h TYR 109 N -0.02 0.64 -0.93 3.16 3.20 -0.32 0.10 116.97 122.80 2fvt h TYR 109 Ca 0.02 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.96 2fvt h TYR 109 Cb 0.09 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 2fvt h TYR 109 CO -0.04 0.47 0.58 -0.97 -1.64 0.00 0.00 178.16 176.56 2fvt h ASN 110 N 0.62 0.89 -0.00 -2.11 -0.73 -0.81 0.27 115.58 113.71 2fvt h ASN 110 Ca 0.17 0.03 -0.15 0.00 1.87 0.00 0.00 56.30 58.21 2fvt h ASN 110 Cb 0.04 -0.16 0.01 0.00 0.27 0.00 0.00 38.32 38.49 2fvt h ASN 110 CO -0.03 0.54 -0.58 0.40 -0.37 0.00 0.00 177.43 177.39 2fvt h ILE 111 N 1.00 1.43 -0.27 2.57 2.04 -1.12 -2.87 117.51 120.30 2fvt h ILE 111 Ca 0.42 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 64.22 2fvt h ILE 111 Cb 0.28 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2fvt h ILE 111 CO -0.21 0.60 0.17 0.24 0.00 0.00 0.00 178.15 178.96 2fvt h MET 112 N -0.12 0.36 0.00 2.37 2.86 -0.18 -1.30 114.93 118.92 2fvt h MET 112 Ca -0.07 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2fvt h MET 112 Cb 1.29 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 2fvt h MET 112 CO 0.11 0.25 -0.17 0.97 1.06 0.00 0.00 176.91 179.13 2fvt h ILE 113 N 0.36 0.42 0.04 -1.22 6.09 -0.60 0.19 117.51 122.79 2fvt h ILE 113 Ca 0.10 -1.01 -0.23 0.00 -1.37 0.00 0.00 64.86 62.35 2fvt h ILE 113 Cb -0.03 1.74 -0.01 0.00 0.47 0.00 0.00 36.82 38.99 2fvt h ILE 113 CO -0.02 0.17 -1.02 1.23 -3.07 0.00 0.00 178.15 175.44 2fvt h GLY 114 N 2.18 0.22 0.00 8.18 0.00 -1.17 -3.35 103.07 109.14 2fvt h GLY 114 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2fvt h GLY 114 CO 0.02 0.41 -0.10 1.18 0.00 0.00 0.00 176.54 178.05 2fvt n GLU 115 N -3.56 0.05 0.05 4.80 1.02 -0.55 -4.84 120.64 117.61 2fvt n GLU 115 Ca -0.05 0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 56.94 2fvt n GLU 115 Cb 0.90 -0.55 -0.14 0.00 -0.02 0.00 0.00 31.44 31.63 2fvt n GLU 115 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2fvt h ARG 116 N -0.10 0.25 0.00 3.49 9.65 -1.35 -3.50 114.38 122.81 2fvt h ARG 116 Ca 0.00 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 2fvt h ARG 116 Cb 0.10 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2fvt h ARG 116 CO 0.00 1.10 0.00 0.54 2.80 0.00 0.00 179.97 184.41 2fvt n ARG 117 N -3.44 0.00 -2.73 0.20 1.74 0.52 -4.91 116.66 108.04 2fvt n ARG 117 Ca -0.20 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.69 2fvt n ARG 117 Cb 1.05 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.50 2fvt n ARG 117 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2fvt n ARG 118 N -0.56 -3.08 -5.04 5.56 0.63 -1.26 -4.82 116.66 108.09 2fvt n ARG 118 Ca 0.00 0.83 -0.29 0.00 -0.92 0.00 0.00 57.85 57.47 2fvt n ARG 118 Cb 0.00 -5.56 -0.16 0.00 0.45 0.00 0.00 32.46 27.19 2fvt n ARG 118 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2fvt s VAL 119 N -2.99 1.74 -0.06 5.15 0.11 -1.26 -0.08 120.40 123.01 2fvt s VAL 119 Ca 0.15 -0.87 0.04 0.00 -2.93 0.00 0.00 61.98 58.37 2fvt s VAL 119 Cb -0.07 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 2fvt s VAL 119 CO 0.19 0.49 -0.19 0.00 -3.33 0.00 0.00 175.10 172.25 2fvt s ALA 120 N 0.09 2.42 -0.23 1.54 0.00 -0.43 -4.07 121.76 121.08 2fvt s ALA 120 Ca -0.08 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2fvt s ALA 120 Cb -0.14 -0.85 0.04 0.00 0.00 0.00 0.00 23.12 22.17 2fvt s ALA 120 CO 0.04 0.45 -0.14 0.00 0.00 0.00 0.00 175.76 176.11 2fvt s ALA 121 N -0.34 2.48 -0.61 0.00 0.00 -0.00 0.11 121.76 123.40 2fvt s ALA 121 Ca 0.02 -1.51 -0.18 0.00 0.00 0.00 0.00 51.96 50.29 2fvt s ALA 121 Cb -0.12 -1.43 0.11 0.00 0.00 0.00 0.00 23.12 21.68 2fvt s ALA 121 CO 0.02 -0.80 0.69 0.00 0.00 0.00 0.00 175.76 175.67 2fvt s ALA 122 N 1.20 3.48 -0.15 0.00 0.00 0.99 0.06 121.76 127.34 2fvt s ALA 122 Ca -0.02 -2.35 -0.04 0.00 0.00 0.00 0.00 51.96 49.55 2fvt s ALA 122 Cb -0.17 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2fvt s ALA 122 CO -0.08 -2.31 -0.03 -0.51 0.00 0.00 0.00 175.76 172.82 2fvt s LEU 123 N 2.39 3.31 -0.20 0.00 1.43 -0.28 -0.24 118.68 125.08 2fvt s LEU 123 Ca 0.11 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2fvt s LEU 123 Cb -0.24 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.20 2fvt s LEU 123 CO 0.04 0.19 -0.13 -0.63 0.23 0.00 0.00 176.35 176.06 2fvt s ILE 124 N 0.24 2.62 0.88 -0.59 1.01 -0.35 -1.13 121.20 123.88 2fvt s ILE 124 Ca -0.02 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 2fvt s ILE 124 Cb -0.14 -2.16 0.13 0.00 0.01 0.00 0.00 42.46 40.30 2fvt s ILE 124 CO 0.03 0.47 1.22 0.00 0.00 0.00 0.00 174.94 176.65 2fvt s ALA 125 N 1.36 2.38 0.42 9.38 0.00 0.25 -2.66 121.76 132.90 2fvt s ALA 125 Ca 0.05 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 50.92 2fvt s ALA 125 Cb -0.14 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 2fvt s ALA 125 CO -0.09 -2.03 1.33 0.14 0.00 0.00 0.00 175.76 175.11 2fvt s VAL 126 N -3.64 2.50 -0.72 0.00 -7.23 -1.26 -4.85 120.40 105.19 2fvt s VAL 126 Ca 0.66 0.45 0.19 0.00 -1.81 0.00 0.00 61.98 61.47 2fvt s VAL 126 Cb -0.09 -3.26 0.19 0.00 0.56 0.00 0.00 36.38 33.78 2fvt s VAL 126 CO 0.51 0.06 1.60 -2.65 -0.31 0.00 0.00 175.10 174.31 2fvt n PRO 127 N 0.05 0.11 0.00 4.82 -0.02 -1.26 -4.80 135.00 133.90 2fvt n PRO 127 Ca 0.04 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2fvt n PRO 127 Cb 0.43 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2fvt n PRO 127 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2fvt n LEU 128 N -1.90 0.00 -4.74 2.45 4.77 -1.26 -4.92 117.00 111.40 2fvt n LEU 128 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 2fvt n LEU 128 Cb 0.20 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 2fvt n LEU 128 CO 0.17 0.00 0.77 -1.61 -1.33 0.00 0.00 177.39 175.39 2fvt s GLU 129 N 0.00 2.46 0.39 3.23 0.41 -1.26 -5.03 118.70 118.90 2fvt s GLU 129 Ca 0.00 1.58 -0.14 0.00 -0.41 0.00 0.00 54.97 56.01 2fvt s GLU 129 Cb 0.00 -1.89 0.05 0.00 -1.78 0.00 0.00 34.13 30.51 2fvt s GLU 129 CO 0.00 -1.55 0.76 -2.39 -0.49 0.00 0.00 175.26 171.59 2fvt n HIS 130 N -2.56 -2.29 -1.90 1.61 1.44 -1.26 -5.14 115.22 105.12 2fvt n HIS 130 Ca 0.12 -1.91 -0.42 0.00 -2.01 0.00 0.00 57.72 53.51 2fvt n HIS 130 Cb 0.51 0.89 -0.02 0.00 0.12 0.00 0.00 29.99 31.49 2fvt n HIS 130 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2fvt s HIS 131 N -2.24 2.95 0.00 -1.40 -3.43 -1.26 -4.84 115.29 105.07 2fvt s HIS 131 Ca 0.17 0.78 0.00 0.00 -0.80 0.00 0.00 55.06 55.22 2fvt s HIS 131 Cb -0.05 -3.95 0.00 0.00 -1.43 0.00 0.00 32.58 27.16 2fvt s HIS 131 CO 0.13 -3.28 0.00 1.58 -2.00 0.00 0.00 174.74 171.16 2fvt n HIS 132 N 2.89 0.00 -2.90 0.38 -0.00 -1.26 -5.06 115.22 109.27 2fvt n HIS 132 Ca 0.10 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.39 2fvt n HIS 132 Cb 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.33 2fvt n HIS 132 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2fvt s HIS 133 N -1.00 3.06 -0.04 1.57 5.04 -1.26 -4.75 115.29 117.91 2fvt s HIS 133 Ca 0.00 0.51 0.02 0.00 -1.54 0.00 0.00 55.06 54.05 2fvt s HIS 133 Cb 0.00 -3.58 -0.04 0.00 0.04 0.00 0.00 32.58 29.00 2fvt s HIS 133 CO 0.00 -0.85 -0.02 0.72 -2.34 0.00 0.00 174.74 172.25 2fvt n HIS 134 N 6.66 0.00 -0.99 3.88 8.25 -1.26 -5.29 115.22 126.46 2fvt n HIS 134 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2fvt n HIS 134 Cb 0.48 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2fvt n HIS 134 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56