#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fvt s ALA 2 N 0.00 0.39 -0.37 3.17 0.00 -1.26 -5.02 121.76 118.67 2fvt s ALA 2 Ca 0.00 -0.82 0.13 0.00 0.00 0.00 0.00 51.96 51.27 2fvt s ALA 2 Cb 0.00 -1.41 0.42 0.00 0.00 0.00 0.00 23.12 22.14 2fvt s ALA 2 CO 0.00 -1.58 0.95 1.04 0.00 0.00 0.00 175.76 176.17 2fvt n GLN 3 N 5.27 1.79 -3.33 0.00 1.13 -1.26 -4.19 117.38 116.78 2fvt n GLN 3 Ca -0.05 -3.68 -0.11 0.00 -1.94 0.00 0.00 57.00 51.22 2fvt n GLN 3 Cb 0.44 -1.62 -0.07 0.00 0.11 0.00 0.00 30.24 29.10 2fvt n GLN 3 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2fvt s ARG 4 N -3.13 0.41 0.00 -1.09 3.52 -1.26 -4.99 118.95 112.41 2fvt s ARG 4 Ca 0.36 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 2fvt s ARG 4 Cb 0.41 -0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.39 2fvt s ARG 4 CO -0.05 -1.05 0.00 0.43 -0.81 0.00 0.00 175.30 173.83 2fvt n SER 5 N 5.28 0.00 -4.56 -2.12 7.64 -1.26 -4.72 113.62 113.88 2fvt n SER 5 Ca 0.01 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.50 2fvt n SER 5 Cb 0.48 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.00 3.32 0.75 1.43 8.01 -1.26 -4.99 118.70 125.96 2fvt s GLU 6 Ca 0.00 -0.74 -0.13 0.00 0.01 0.00 0.00 54.97 54.11 2fvt s GLU 6 Cb 0.00 -5.03 0.05 0.00 -4.31 0.00 0.00 34.13 24.84 2fvt s GLU 6 CO 0.00 -2.38 1.13 0.96 0.01 0.00 0.00 175.26 174.97 2fvt s ILE 7 N 6.04 2.93 -0.37 -1.63 -4.36 -1.26 -4.50 121.20 118.03 2fvt s ILE 7 Ca 0.48 0.37 -0.36 0.00 -0.26 0.00 0.00 60.65 60.88 2fvt s ILE 7 Cb -0.03 -2.80 -0.12 0.00 1.25 0.00 0.00 42.46 40.76 2fvt s ILE 7 CO -0.02 -0.33 2.20 -2.65 0.24 0.00 0.00 174.94 174.38 2fvt n PRO 8 N -3.14 0.98 -4.25 0.37 -0.02 -1.26 -4.92 135.00 122.76 2fvt n PRO 8 Ca 0.11 0.26 -0.16 0.00 -2.02 0.00 0.00 63.50 61.69 2fvt n PRO 8 Cb 0.52 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.51 2fvt n PRO 8 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2fvt s HIS 9 N 7.34 1.45 -0.33 6.00 -3.43 -1.26 -5.11 115.29 119.96 2fvt s HIS 9 Ca 1.11 -1.48 -0.29 0.00 -0.80 0.00 0.00 55.06 53.59 2fvt s HIS 9 Cb -0.90 -0.66 -0.01 0.00 -1.43 0.00 0.00 32.58 29.58 2fvt s HIS 9 CO 0.50 -0.71 1.69 -0.59 -2.00 0.00 0.00 174.74 173.63 2fvt s PHE 10 N -3.81 1.97 -0.64 0.38 -0.12 -1.26 -4.88 117.98 109.62 2fvt s PHE 10 Ca 0.39 0.61 -0.01 0.00 -0.05 0.00 0.00 56.93 57.88 2fvt s PHE 10 Cb 0.05 -4.15 0.44 0.00 -0.63 0.00 0.00 43.02 38.74 2fvt s PHE 10 CO 0.19 -2.77 1.94 -0.35 -0.05 0.00 0.00 175.22 174.18 2fvt n PRO 11 N 8.24 2.80 -1.85 1.99 -0.04 -1.26 -4.76 135.00 140.11 2fvt n PRO 11 Ca 0.21 -3.40 -0.02 0.00 -0.04 0.00 0.00 63.50 60.25 2fvt n PRO 11 Cb 0.47 -2.29 -0.01 0.00 -0.04 0.00 0.00 33.50 31.63 2fvt n PRO 11 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2fvt n ARG 12 N -0.87 -2.30 -2.96 0.54 0.63 -1.25 -4.94 116.66 105.51 2fvt n ARG 12 Ca 0.60 1.96 -0.43 0.00 -0.92 0.00 0.00 57.85 59.06 2fvt n ARG 12 Cb 0.67 -2.74 -0.05 0.00 0.45 0.00 0.00 32.46 30.79 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 -0.30 4.55 -2.06 5.15 2.01 -1.26 -4.85 115.64 118.88 2fvt s THR 13 Ca -0.08 -0.28 0.22 0.00 0.31 0.00 0.00 61.69 61.86 2fvt s THR 13 Cb 0.01 -4.51 0.59 0.00 0.01 0.00 0.00 72.50 68.59 2fvt s THR 13 CO 0.22 -1.13 1.50 0.00 -0.69 0.00 0.00 174.62 174.51 2fvt n ALA 14 N 7.05 2.39 -3.44 7.40 0.00 -1.26 -4.77 120.51 127.88 2fvt n ALA 14 Ca -0.04 -1.18 -0.09 0.00 0.00 0.00 0.00 53.44 52.13 2fvt n ALA 14 Cb 0.46 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.13 -1.09 0.05 0.00 0.00 -1.26 -4.79 121.76 113.54 2fvt s ALA 15 Ca 0.45 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 2fvt s ALA 15 Cb 0.24 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 2fvt s ALA 15 CO 0.32 -1.11 1.05 0.42 0.00 0.00 0.00 175.76 176.43 2fvt s ILE 16 N 2.56 4.49 -0.02 0.00 1.09 -1.26 -4.98 121.20 123.08 2fvt s ILE 16 Ca 0.09 1.86 -0.10 0.00 -1.10 0.00 0.00 60.65 61.40 2fvt s ILE 16 Cb -0.14 -4.19 -0.05 0.00 -1.06 0.00 0.00 42.46 37.01 2fvt s ILE 16 CO -0.15 0.19 0.60 -0.78 -0.10 0.00 0.00 174.94 174.70 2fvt h ASP 17 N 6.41 -0.29 -4.43 3.58 3.58 -1.92 -3.47 116.42 119.88 2fvt h ASP 17 Ca -0.42 0.01 -0.35 0.00 0.42 0.00 0.00 57.03 56.70 2fvt h ASP 17 Cb 1.22 0.08 -0.24 0.00 1.72 0.00 0.00 39.33 42.10 2fvt h ASP 17 CO 0.76 -0.06 -0.76 0.00 -2.88 0.00 0.00 179.24 176.30 2fvt s ALA 18 N -3.62 0.77 0.01 -0.78 0.00 0.63 -5.02 121.76 113.75 2fvt s ALA 18 Ca -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 2fvt s ALA 18 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2fvt s ALA 18 CO 0.15 0.09 0.07 -0.47 0.00 0.00 0.00 175.76 175.61 2fvt s TYR 19 N -0.94 0.12 -5.00 0.00 5.04 -1.26 -0.40 117.35 114.90 2fvt s TYR 19 Ca -0.03 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 2fvt s TYR 19 Cb -0.08 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.13 2fvt s TYR 19 CO 0.01 -0.24 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 2fvt n GLY 20 N 1.56 -0.12 3.75 8.97 0.00 -1.26 -5.01 105.19 113.08 2fvt n GLY 20 Ca -0.23 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 2fvt n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fvt s LYS 21 N -2.00 2.45 0.00 1.61 -2.85 -1.26 -3.10 119.74 114.59 2fvt s LYS 21 Ca 0.00 1.45 0.00 0.00 -1.00 0.00 0.00 55.97 56.42 2fvt s LYS 21 Cb 0.00 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 2fvt s LYS 21 CO 0.00 -1.53 0.00 0.41 0.10 0.00 0.00 175.35 174.33 2fvt n GLY 22 N -0.38 2.15 0.00 0.59 0.00 -1.26 -4.87 105.19 101.42 2fvt n GLY 22 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 4.44 3.82 -0.02 0.00 -1.18 -4.84 105.19 107.40 2fvt n GLY 23 Ca 0.00 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 2fvt n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fvt s PHE 24 N -2.02 3.21 0.00 1.61 -0.12 -1.26 -4.28 117.98 115.11 2fvt s PHE 24 Ca 0.00 1.51 0.00 0.00 -0.05 0.00 0.00 56.93 58.39 2fvt s PHE 24 Cb 0.00 -2.91 -0.00 0.00 -0.63 0.00 0.00 43.02 39.47 2fvt s PHE 24 CO 0.00 -0.69 -0.01 -0.47 -0.05 0.00 0.00 175.22 173.99 2fvt s TYR 25 N -2.44 0.13 0.43 3.49 5.04 0.46 -3.61 117.35 120.85 2fvt s TYR 25 Ca 0.62 -0.10 0.03 0.00 -2.44 0.00 0.00 57.07 55.18 2fvt s TYR 25 Cb -0.13 -0.09 -0.03 0.00 0.35 0.00 0.00 41.96 42.07 2fvt s TYR 25 CO 0.31 -0.03 0.09 -0.59 -1.34 0.00 0.00 175.55 173.98 2fvt s PHE 26 N -0.25 1.84 -0.58 4.97 -0.12 -1.22 -0.27 117.98 122.35 2fvt s PHE 26 Ca -0.02 -1.15 -0.26 0.00 -0.05 0.00 0.00 56.93 55.45 2fvt s PHE 26 Cb -0.02 -1.30 -0.08 0.00 -0.63 0.00 0.00 43.02 40.99 2fvt s PHE 26 CO -0.00 -0.11 2.33 0.00 -0.05 0.00 0.00 175.22 177.38 2fvt s ALA 27 N -3.12 1.50 0.00 1.99 0.00 -1.26 -3.43 121.76 117.44 2fvt s ALA 27 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2fvt s ALA 27 Cb 0.03 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.75 2fvt s ALA 27 CO 0.12 -4.71 0.00 0.41 0.00 0.00 0.00 175.76 171.58 2fvt n GLY 28 N 6.16 0.89 3.32 0.00 0.00 -1.26 -5.11 105.19 109.19 2fvt n GLY 28 Ca 0.37 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 2fvt n GLY 28 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2fvt s MET 29 N 0.00 1.10 0.09 1.61 0.23 -1.22 -5.17 119.30 115.94 2fvt s MET 29 Ca 0.00 -1.11 0.02 0.00 -1.03 0.00 0.00 55.69 53.57 2fvt s MET 29 Cb 0.00 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 2fvt s MET 29 CO 0.00 -0.40 0.16 -1.54 -2.03 0.00 0.00 175.02 171.21 2fvt s SER 30 N -2.94 5.94 -0.15 -1.18 1.04 -1.26 -3.46 113.70 111.70 2fvt s SER 30 Ca 0.14 0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.64 2fvt s SER 30 Cb 0.03 -1.71 0.05 0.00 0.10 0.00 0.00 66.02 64.49 2fvt s SER 30 CO -0.02 0.15 0.06 -2.28 0.98 0.00 0.00 173.24 172.13 2fvt s HIS 31 N -1.51 0.40 0.56 5.02 5.04 -1.24 -5.06 115.29 118.50 2fvt s HIS 31 Ca 0.32 -0.33 -0.17 0.00 -1.54 0.00 0.00 55.06 53.34 2fvt s HIS 31 Cb -0.12 -0.74 -0.05 0.00 0.04 0.00 0.00 32.58 31.71 2fvt s HIS 31 CO 0.25 -0.46 1.05 -0.65 -2.34 0.00 0.00 174.74 172.59 2fvt s GLN 32 N 2.07 3.47 0.00 2.88 -0.21 -1.26 -4.57 119.66 122.04 2fvt s GLN 32 Ca 0.02 1.27 0.00 0.00 0.02 0.00 0.00 55.36 56.67 2fvt s GLN 32 Cb -0.15 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.81 2fvt s GLN 32 CO -0.07 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 172.81 2fvt n GLY 33 N -0.70 1.21 3.43 3.09 0.00 -1.26 -4.99 105.19 105.96 2fvt n GLY 33 Ca 0.09 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 2fvt n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fvt s SER 34 N -4.00 -0.55 0.02 1.61 0.15 -1.18 0.21 113.70 109.97 2fvt s SER 34 Ca 0.00 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2fvt s SER 34 Cb 0.00 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 2fvt s SER 34 CO 0.00 -0.87 -0.04 -0.76 1.20 0.00 0.00 173.24 172.77 2fvt s LEU 35 N -2.39 2.24 -0.56 3.45 1.43 -0.86 -2.36 118.68 119.63 2fvt s LEU 35 Ca -0.02 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 2fvt s LEU 35 Cb -0.01 0.07 0.14 0.00 0.03 0.00 0.00 46.19 46.42 2fvt s LEU 35 CO -0.08 -0.29 0.52 -0.76 0.23 0.00 0.00 176.35 175.97 2fvt s LEU 36 N -1.48 6.22 -0.96 1.79 1.43 0.80 -2.47 118.68 124.02 2fvt s LEU 36 Ca -0.15 -1.87 -0.18 0.00 -1.03 0.00 0.00 54.13 50.90 2fvt s LEU 36 Cb -0.10 -2.20 0.14 0.00 0.03 0.00 0.00 46.19 44.05 2fvt s LEU 36 CO -0.01 -0.83 1.16 -0.36 0.23 0.00 0.00 176.35 176.54 2fvt s PHE 37 N 1.47 3.16 0.49 0.29 0.40 -0.57 -1.30 117.98 121.93 2fvt s PHE 37 Ca 0.04 -1.48 -0.05 0.00 -0.60 0.00 0.00 56.93 54.85 2fvt s PHE 37 Cb -0.28 -4.29 -0.03 0.00 0.51 0.00 0.00 43.02 38.93 2fvt s PHE 37 CO 0.02 -1.48 0.79 -0.51 0.70 0.00 0.00 175.22 174.74 2fvt s LEU 38 N 2.56 3.60 0.00 -0.37 1.43 -0.85 -0.54 118.68 124.51 2fvt s LEU 38 Ca 0.34 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 2fvt s LEU 38 Cb -0.05 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2fvt s LEU 38 CO -0.08 -0.61 0.93 -0.81 0.23 0.00 0.00 176.35 176.01 2fvt n PRO 39 N -2.28 0.73 0.18 1.29 -0.04 -1.23 -3.63 135.00 130.02 2fvt n PRO 39 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2fvt n PRO 39 Cb 0.55 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2fvt n PRO 39 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2fvt n ASP 40 N 0.91 -2.25 -4.03 3.54 2.03 -1.26 -5.03 116.55 110.46 2fvt n ASP 40 Ca 0.00 0.67 -0.10 0.00 0.52 0.00 0.00 54.79 55.88 2fvt n ASP 40 Cb 0.37 2.21 -0.07 0.00 -0.72 0.00 0.00 41.12 42.90 2fvt n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fvt s ALA 41 N -2.00 0.26 -0.16 -1.67 0.00 -1.24 -3.78 121.76 113.17 2fvt s ALA 41 Ca 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 2fvt s ALA 41 Cb 0.00 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 24.11 2fvt s ALA 41 CO 0.00 -0.67 -0.07 0.08 0.00 0.00 0.00 175.76 175.11 2fvt s VAL 42 N -4.02 3.57 0.24 0.00 1.01 -1.26 -2.01 120.40 117.93 2fvt s VAL 42 Ca 0.23 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.81 2fvt s VAL 42 Cb 0.04 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 2fvt s VAL 42 CO 0.04 0.49 -0.08 0.26 0.00 0.00 0.00 175.10 175.82 2fvt s TRP 43 N 0.51 1.79 0.00 5.22 0.52 -0.42 -4.92 118.94 121.64 2fvt s TRP 43 Ca -0.05 -0.70 -0.20 0.00 0.02 0.00 0.00 56.10 55.17 2fvt s TRP 43 Cb -0.15 -0.97 -0.05 0.00 -1.15 0.00 0.00 33.47 31.15 2fvt s TRP 43 CO 0.03 0.25 0.59 0.20 0.02 0.00 0.00 176.95 178.04 2fvt s GLY 44 N -3.37 2.62 -0.35 0.98 0.00 -1.26 -0.14 107.32 105.79 2fvt s GLY 44 Ca 0.27 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 45.01 2fvt s GLY 44 CO 0.09 0.72 0.19 0.86 0.00 0.00 0.00 173.10 174.97 2fvt s TRP 45 N -0.28 0.91 -1.18 1.90 -0.00 -1.00 -4.80 118.94 114.49 2fvt s TRP 45 Ca 0.31 -1.60 -0.20 0.00 -0.00 0.00 0.00 56.10 54.60 2fvt s TRP 45 Cb -0.18 -1.12 0.05 0.00 -0.00 0.00 0.00 33.47 32.22 2fvt s TRP 45 CO 0.17 -0.83 1.65 0.34 -0.00 0.00 0.00 176.95 178.29 2fvt s ASP 46 N 1.21 6.57 -0.34 5.86 2.15 -1.26 -3.11 116.67 127.75 2fvt s ASP 46 Ca 0.15 -1.98 0.02 0.00 0.43 0.00 0.00 52.55 51.18 2fvt s ASP 46 Cb -0.21 -2.58 0.10 0.00 -0.30 0.00 0.00 42.92 39.93 2fvt s ASP 46 CO -0.09 -1.44 0.08 -0.69 -0.17 0.00 0.00 175.17 172.86 2fvt s VAL 47 N 5.04 1.83 0.14 1.11 1.01 -1.26 -4.97 120.40 123.29 2fvt s VAL 47 Ca 0.52 -2.11 0.04 0.00 0.00 0.00 0.00 61.98 60.43 2fvt s VAL 47 Cb 0.02 -2.35 -0.19 0.00 0.00 0.00 0.00 36.38 33.85 2fvt s VAL 47 CO 0.01 -0.65 1.31 0.74 0.00 0.00 0.00 175.10 176.51 2fvt h THR 48 N 6.47 1.61 -3.32 3.92 2.02 -1.89 -3.39 112.91 118.33 2fvt h THR 48 Ca -0.07 -3.07 -0.65 0.00 0.77 0.00 0.00 66.41 63.38 2fvt h THR 48 Cb 1.01 2.72 -0.26 0.00 -1.74 0.00 0.00 68.15 69.88 2fvt h THR 48 CO 0.51 0.88 -0.74 -0.54 0.37 0.00 0.00 175.52 176.00 2fvt s LYS 49 N -2.89 3.42 0.63 6.66 1.02 -1.26 -4.99 119.74 122.33 2fvt s LYS 49 Ca -0.01 -0.65 0.40 0.00 0.02 0.00 0.00 55.97 55.73 2fvt s LYS 49 Cb 0.10 -2.75 2.15 0.00 -0.52 0.00 0.00 37.83 36.81 2fvt s LYS 49 CO 0.83 0.12 2.29 -1.00 -0.92 0.00 0.00 175.35 176.67 2fvt h PRO 50 N 7.02 0.00 0.00 -1.68 0.13 -1.85 -0.75 132.00 134.87 2fvt h PRO 50 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2fvt h PRO 50 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2fvt h PRO 50 CO 0.58 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.75 2fvt n GLU 51 N -3.23 0.15 -0.40 0.86 -0.58 -1.26 -2.76 120.64 113.42 2fvt n GLU 51 Ca -0.02 0.15 0.09 0.00 -0.42 0.00 0.00 57.16 56.95 2fvt n GLU 51 Cb 0.11 -1.50 0.28 0.00 -0.57 0.00 0.00 31.44 29.76 2fvt n GLU 51 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2fvt n GLN 52 N -1.37 2.78 -2.70 3.49 6.02 -0.29 -4.90 117.38 120.41 2fvt n GLN 52 Ca 0.07 -2.24 -0.43 0.00 -0.01 0.00 0.00 57.00 54.39 2fvt n GLN 52 Cb 0.17 -1.61 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 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 -1.47 4.58 0.00 5.09 1.01 -1.11 -4.67 121.20 124.62 2fvt s ILE 53 Ca 0.41 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.72 2fvt s ILE 53 Cb 0.24 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2fvt s ILE 53 CO 0.24 -0.41 0.00 -0.90 0.00 0.00 0.00 174.94 173.87 2fvt n ASP 54 N 6.69 0.00 0.04 3.58 5.68 -1.26 -5.02 116.55 126.26 2fvt n ASP 54 Ca 0.10 -0.71 0.13 0.00 -0.50 0.00 0.00 54.79 53.81 2fvt n ASP 54 Cb 0.47 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 40.96 2fvt n ASP 54 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2fvt n ARG 55 N 0.00 0.09 0.05 0.11 1.74 -1.26 -0.73 116.66 116.66 2fvt n ARG 55 Ca 0.00 0.13 -0.20 0.00 -0.77 0.00 0.00 57.85 57.01 2fvt n ARG 55 Cb 0.00 -1.62 -0.15 0.00 -1.02 0.00 0.00 32.46 29.67 2fvt n ARG 55 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2fvt h TYR 56 N 0.00 0.55 -0.04 -1.55 0.05 -1.96 -2.10 116.97 111.93 2fvt h TYR 56 Ca 0.00 -0.40 -0.16 0.00 0.05 0.00 0.00 58.73 58.22 2fvt h TYR 56 Cb 0.53 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 38.25 2fvt h TYR 56 CO 0.00 1.35 -0.58 0.66 -1.05 0.00 0.00 178.16 178.54 2fvt h SER 57 N -0.34 0.58 -0.21 3.88 4.64 -1.81 -3.18 113.55 117.11 2fvt h SER 57 Ca -0.17 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 2fvt h SER 57 Cb 1.68 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 2fvt h SER 57 CO 0.15 1.21 0.00 0.18 -0.87 0.00 0.00 176.83 177.50 2fvt n LEU 58 N -4.21 1.97 -0.16 5.97 4.77 0.09 -4.34 117.00 121.10 2fvt n LEU 58 Ca -0.09 -0.99 -0.02 0.00 -0.03 0.00 0.00 56.01 54.87 2fvt n LEU 58 Cb 0.65 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.42 2fvt n LEU 58 CO 0.47 0.35 0.88 -0.61 -1.33 0.00 0.00 177.39 177.15 2fvt h GLN 59 N 1.33 0.18 -0.04 3.23 -0.00 -1.35 0.13 115.11 118.59 2fvt h GLN 59 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.53 2fvt h GLN 59 Cb 0.69 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.11 2fvt h GLN 59 CO 0.09 0.12 -0.48 -0.09 0.00 0.00 0.00 178.83 178.47 2fvt h ARG 60 N 0.19 0.09 -0.42 1.69 2.43 -1.85 -2.64 114.38 113.87 2fvt h ARG 60 Ca 0.25 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.23 2fvt h ARG 60 Cb 0.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2fvt h ARG 60 CO -0.35 0.56 -0.27 0.28 -1.51 0.00 0.00 179.97 178.67 2fvt h VAL 61 N 0.08 1.27 0.00 0.20 2.07 -1.28 0.26 116.25 118.85 2fvt h VAL 61 Ca 0.00 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 2fvt h VAL 61 Cb 0.88 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2fvt h VAL 61 CO 0.07 0.48 -0.25 -0.26 0.02 0.00 0.00 177.57 177.63 2fvt h PHE 62 N 0.75 0.00 0.25 1.57 0.04 -0.68 -1.49 116.94 117.39 2fvt h PHE 62 Ca 0.09 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.52 2fvt h PHE 62 Cb 0.85 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.04 2fvt h PHE 62 CO 0.06 0.25 -1.50 0.22 -0.60 0.00 0.00 178.31 176.74 2fvt h ASP 63 N 0.00 0.84 -0.20 2.17 3.58 -1.08 -3.25 116.42 118.48 2fvt h ASP 63 Ca -0.00 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.53 2fvt h ASP 63 Cb 0.46 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2fvt h ASP 63 CO 0.03 1.72 0.00 0.59 -2.88 0.00 0.00 179.24 178.70 2fvt n ASN 64 N -3.72 2.25 0.28 2.28 5.03 0.87 -4.24 115.26 118.02 2fvt n ASN 64 Ca -0.18 -2.24 0.14 0.00 0.87 0.00 0.00 54.58 53.18 2fvt n ASN 64 Cb 1.10 -0.48 0.84 0.00 -1.02 0.00 0.00 39.78 40.23 2fvt n ASN 64 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2fvt h ALA 65 N 2.81 1.51 0.00 5.41 0.00 -1.31 0.52 119.26 128.20 2fvt h ALA 65 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2fvt h ALA 65 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2fvt h ALA 65 CO 0.13 0.04 0.00 0.27 0.00 0.00 0.00 179.25 179.69 2fvt n ASN 66 N -3.87 0.00 -0.02 0.00 0.23 -1.26 -2.04 115.26 108.30 2fvt n ASN 66 Ca -0.03 0.35 0.02 0.00 -0.53 0.00 0.00 54.58 54.39 2fvt n ASN 66 Cb 0.12 -0.42 0.02 0.00 -2.08 0.00 0.00 39.78 37.42 2fvt n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2fvt n ALA 67 N -1.42 1.98 -3.74 -2.53 0.00 0.16 -4.99 120.51 109.97 2fvt n ALA 67 Ca 0.05 -1.25 -0.22 0.00 0.00 0.00 0.00 53.44 52.02 2fvt n ALA 67 Cb 0.15 -0.07 -0.18 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.24 0.25 -0.04 0.00 1.01 -0.87 -4.67 121.20 115.63 2fvt s ILE 68 Ca 0.06 0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.96 2fvt s ILE 68 Cb 0.05 -0.45 -0.11 0.00 0.01 0.00 0.00 42.46 41.96 2fvt s ILE 68 CO 0.01 0.22 0.10 -0.90 0.00 0.00 0.00 174.94 174.37 2fvt n ASP 69 N 5.19 3.12 -4.07 3.58 5.68 0.58 -4.55 116.55 126.08 2fvt n ASP 69 Ca -0.06 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 53.95 2fvt n ASP 69 Cb 0.50 1.03 -0.17 0.00 -1.14 0.00 0.00 41.12 41.34 2fvt n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2fvt s THR 70 N -2.38 1.51 -0.33 2.12 2.01 -0.25 0.20 115.64 118.52 2fvt s THR 70 Ca -0.03 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.31 2fvt s THR 70 Cb 0.04 -1.37 0.08 0.00 0.01 0.00 0.00 72.50 71.26 2fvt s THR 70 CO 0.33 0.44 0.04 -0.22 -0.69 0.00 0.00 174.62 174.52 2fvt s LEU 71 N 0.90 4.37 -0.33 4.42 2.96 0.98 -0.23 118.68 131.75 2fvt s LEU 71 Ca -0.08 -1.72 -0.13 0.00 -0.22 0.00 0.00 54.13 51.99 2fvt s LEU 71 Cb -0.15 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2fvt s LEU 71 CO -0.00 -0.35 0.23 -0.63 -1.32 0.00 0.00 176.35 174.28 2fvt s ILE 72 N 1.10 5.29 -0.31 6.68 1.01 -0.41 -0.63 121.20 133.93 2fvt s ILE 72 Ca 0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 2fvt s ILE 72 Cb -0.20 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.60 2fvt s ILE 72 CO -0.04 0.04 0.10 -0.69 0.00 0.00 0.00 174.94 174.35 2fvt s VAL 73 N 1.73 4.03 -0.84 2.92 1.01 -0.28 -1.14 120.40 127.84 2fvt s VAL 73 Ca 0.06 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 2fvt s VAL 73 Cb -0.17 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.14 2fvt s VAL 73 CO 0.11 -0.01 1.19 -0.83 0.00 0.00 0.00 175.10 175.55 2fvt s GLY 74 N 1.49 1.42 0.19 4.51 0.00 0.40 -1.58 107.32 113.75 2fvt s GLY 74 Ca 0.02 -2.13 0.19 0.00 0.00 0.00 0.00 44.72 42.80 2fvt s GLY 74 CO 0.03 2.31 1.59 -1.30 0.00 0.00 0.00 173.10 175.73 2fvt n THR 75 N 6.12 0.99 -0.29 0.90 -2.24 -0.78 -0.92 114.28 118.08 2fvt n THR 75 Ca 0.15 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 2fvt n THR 75 Cb 0.48 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 -0.34 -1.87 4.49 3.38 0.00 -1.26 -4.64 105.19 104.95 2fvt n GLY 76 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 1.01 0.00 -3.22 4.61 0.00 -1.26 -4.75 120.51 116.90 2fvt n ALA 77 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2fvt n ALA 77 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2fvt n ALA 77 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2fvt s ASP 78 N 0.00 0.50 -0.49 0.00 -4.77 -1.26 -5.07 116.67 105.57 2fvt s ASP 78 Ca 0.00 -1.30 -0.20 0.00 -3.30 0.00 0.00 52.55 47.75 2fvt s ASP 78 Cb 0.00 0.71 0.05 0.00 -1.09 0.00 0.00 42.92 42.59 2fvt s ASP 78 CO 0.00 -1.40 0.67 -0.69 0.70 0.00 0.00 175.17 174.45 2fvt s VAL 79 N -2.97 4.80 -0.30 2.11 1.01 -1.26 -4.46 120.40 119.33 2fvt s VAL 79 Ca 0.25 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 2fvt s VAL 79 Cb -0.02 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2fvt s VAL 79 CO 0.16 -0.79 0.52 0.86 0.00 0.00 0.00 175.10 175.85 2fvt s TRP 80 N 2.86 3.23 -0.32 5.22 -0.00 -1.26 -5.04 118.94 123.62 2fvt s TRP 80 Ca 0.19 0.45 -0.23 0.00 -0.00 0.00 0.00 56.10 56.52 2fvt s TRP 80 Cb -0.17 -2.82 0.00 0.00 -0.00 0.00 0.00 33.47 30.48 2fvt s TRP 80 CO 0.15 -0.39 0.76 0.42 -0.00 0.00 0.00 176.95 177.89 2fvt s ILE 81 N 2.37 4.80 0.36 5.86 1.01 -1.26 -4.81 121.20 129.53 2fvt s ILE 81 Ca 0.20 1.05 -0.28 0.00 0.00 0.00 0.00 60.65 61.63 2fvt s ILE 81 Cb -0.15 -4.14 -0.10 0.00 0.01 0.00 0.00 42.46 38.08 2fvt s ILE 81 CO 0.11 -0.28 1.33 0.00 0.00 0.00 0.00 174.94 176.10 2fvt s ALA 82 N 2.94 3.44 0.52 9.38 0.00 -1.26 -4.96 121.76 131.81 2fvt s ALA 82 Ca 0.31 1.30 -0.21 0.00 0.00 0.00 0.00 51.96 53.36 2fvt s ALA 82 Cb -0.14 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 2fvt s ALA 82 CO 0.13 -0.76 0.94 -2.30 0.00 0.00 0.00 175.76 173.78 2fvt n PRO 83 N 0.54 1.07 -0.32 0.00 -0.02 -1.26 -4.73 135.00 130.30 2fvt n PRO 83 Ca 0.01 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 2fvt n PRO 83 Cb 0.42 -2.08 0.19 0.00 -0.02 0.00 0.00 33.50 32.01 2fvt n PRO 83 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2fvt h ARG 84 N 0.93 0.85 -0.24 -0.52 0.11 -1.99 -0.52 114.38 113.01 2fvt h ARG 84 Ca -0.47 -0.05 -0.16 0.00 0.10 0.00 0.00 59.98 59.41 2fvt h ARG 84 Cb 1.35 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 2fvt h ARG 84 CO 0.53 0.56 -0.49 0.37 0.10 0.00 0.00 179.97 181.05 2fvt h GLN 85 N 0.88 0.65 -0.47 0.08 5.75 -1.98 0.54 115.11 120.56 2fvt h GLN 85 Ca 0.43 -0.38 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 2fvt h GLN 85 Cb 0.38 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 2fvt h GLN 85 CO -0.25 0.99 0.05 1.25 -2.65 0.00 0.00 178.83 178.22 2fvt h LEU 86 N 0.51 0.76 -0.58 -2.39 5.85 -1.71 0.17 115.31 117.93 2fvt h LEU 86 Ca 0.03 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 2fvt h LEU 86 Cb 1.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2fvt h LEU 86 CO 0.10 0.85 0.30 -0.09 -0.34 0.00 0.00 178.44 179.26 2fvt h ARG 87 N 0.65 0.83 -0.18 1.25 2.43 -0.92 -2.59 114.38 115.85 2fvt h ARG 87 Ca 0.14 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2fvt h ARG 87 Cb 0.43 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2fvt h ARG 87 CO 0.01 0.66 -0.23 1.49 -1.51 0.00 0.00 179.97 180.39 2fvt h GLU 88 N 0.79 0.32 -0.47 0.20 4.81 -0.62 -0.10 114.58 119.52 2fvt h GLU 88 Ca 0.20 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2fvt h GLU 88 Cb 0.09 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2fvt h GLU 88 CO -0.03 0.54 0.29 0.00 -0.73 0.00 0.00 179.01 179.08 2fvt h ALA 89 N 1.47 0.60 -0.27 2.92 0.00 -0.59 0.42 119.26 123.81 2fvt h ALA 89 Ca 0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2fvt h ALA 89 Cb 0.58 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2fvt h ALA 89 CO 0.04 0.09 -0.29 -0.07 0.00 0.00 0.00 179.25 179.02 2fvt h LEU 90 N 0.63 0.72 -1.34 0.00 3.38 -1.15 -3.05 115.31 114.50 2fvt h LEU 90 Ca 0.17 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2fvt h LEU 90 Cb -0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2fvt h LEU 90 CO -0.03 1.06 -0.06 0.03 0.09 0.00 0.00 178.44 179.52 2fvt h ARG 91 N 0.40 0.00 -0.53 1.13 2.47 -0.83 -0.31 114.38 116.71 2fvt h ARG 91 Ca 0.04 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.66 2fvt h ARG 91 Cb 0.87 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.17 2fvt h ARG 91 CO 0.07 0.06 -0.05 0.78 0.56 0.00 0.00 179.97 181.39 2fvt h GLY 92 N 2.08 1.02 0.48 0.04 0.00 -0.04 -3.27 103.07 103.38 2fvt h GLY 92 Ca -0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 47.33 46.40 2fvt h GLY 92 CO 0.01 0.70 -0.79 -0.39 0.00 0.00 0.00 176.54 176.07 2fvt h VAL 93 N 0.86 1.44 0.00 4.60 -1.51 -1.58 -3.48 116.25 116.58 2fvt h VAL 93 Ca 0.15 -2.45 0.00 0.00 -1.23 0.00 0.00 66.70 63.17 2fvt h VAL 93 Cb 0.58 3.09 0.00 0.00 -2.13 0.00 0.00 31.29 32.83 2fvt h VAL 93 CO 0.04 0.67 0.00 -3.20 -1.23 0.00 0.00 177.57 173.84 2fvt n ASN 94 N -4.20 0.00 -4.69 4.19 5.15 -1.10 -5.14 115.26 109.47 2fvt n ASN 94 Ca -0.16 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.39 2fvt n ASN 94 Cb 0.76 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.98 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 0.00 3.60 -0.49 3.44 1.01 -0.15 -4.85 120.40 122.97 2fvt s VAL 95 Ca 0.00 1.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.76 2fvt s VAL 95 Cb 0.00 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.76 2fvt s VAL 95 CO 0.00 0.01 0.85 -0.69 0.00 0.00 0.00 175.10 175.26 2fvt s VAL 96 N 2.30 4.55 -0.17 2.92 1.01 0.13 -2.82 120.40 128.33 2fvt s VAL 96 Ca 0.65 0.36 -0.23 0.00 0.00 0.00 0.00 61.98 62.76 2fvt s VAL 96 Cb -0.33 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 2fvt s VAL 96 CO 0.27 -0.87 0.74 -0.22 0.00 0.00 0.00 175.10 175.03 2fvt s LEU 97 N 3.53 4.18 -0.16 3.92 2.96 -1.26 -0.01 118.68 131.83 2fvt s LEU 97 Ca 0.30 1.06 -0.01 0.00 -0.22 0.00 0.00 54.13 55.26 2fvt s LEU 97 Cb -0.12 -3.09 0.04 0.00 0.50 0.00 0.00 46.19 43.52 2fvt s LEU 97 CO 0.21 -0.32 -0.03 -0.62 -1.32 0.00 0.00 176.35 174.28 2fvt s ASP 98 N 1.12 2.75 -0.15 3.68 2.15 0.19 -4.97 116.67 121.45 2fvt s ASP 98 Ca 0.35 -0.65 -0.11 0.00 0.43 0.00 0.00 52.55 52.57 2fvt s ASP 98 Cb -0.16 -0.81 -0.05 0.00 -0.30 0.00 0.00 42.92 41.60 2fvt s ASP 98 CO 0.12 -0.21 0.20 0.42 -0.17 0.00 0.00 175.17 175.54 2fvt s THR 99 N 1.70 5.37 0.11 1.71 -4.23 -1.26 -1.13 115.64 117.91 2fvt s THR 99 Ca 0.01 0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 2fvt s THR 99 Cb -0.15 -3.52 0.02 0.00 1.34 0.00 0.00 72.50 70.18 2fvt s THR 99 CO -0.07 0.49 0.24 1.15 -0.54 0.00 0.00 174.62 175.89 2fvt n MET 100 N 2.96 0.31 -1.86 3.99 0.00 -0.61 -4.96 117.12 116.95 2fvt n MET 100 Ca -0.16 -0.62 -0.32 0.00 0.00 0.00 0.00 57.70 56.60 2fvt n MET 100 Cb 0.53 0.79 0.02 0.00 0.00 0.00 0.00 33.22 34.56 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 3.24 0.23 3.17 -0.21 -1.26 -1.86 119.66 120.95 2fvt s GLN 101 Ca 0.05 1.03 -0.08 0.00 0.02 0.00 0.00 55.36 56.39 2fvt s GLN 101 Cb -0.01 -2.03 0.25 0.00 1.00 0.00 0.00 33.01 32.22 2fvt s GLN 101 CO 0.03 -0.86 1.87 1.15 -2.12 0.00 0.00 175.29 175.36 2fvt h THR 102 N -0.07 1.12 0.33 -0.19 2.02 -1.87 -2.15 112.91 112.11 2fvt h THR 102 Ca -0.45 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 2fvt h THR 102 Cb 1.21 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2fvt h THR 102 CO 0.58 0.19 -0.26 1.23 0.37 0.00 0.00 175.52 177.62 2fvt h GLY 103 N 1.02 -0.93 0.68 2.16 0.00 -1.95 -1.22 103.07 102.84 2fvt h GLY 103 Ca 0.33 0.41 0.15 0.00 0.00 0.00 0.00 47.33 48.22 2fvt h GLY 103 CO -0.12 -0.31 0.50 -2.55 0.00 0.00 0.00 176.54 174.07 2fvt h PRO 104 N -0.57 0.39 -0.36 4.80 0.11 -1.95 -1.34 132.00 133.07 2fvt h PRO 104 Ca -0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 2fvt h PRO 104 Cb 0.48 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2fvt h PRO 104 CO 0.01 0.26 0.21 0.00 -0.21 0.00 0.00 178.00 178.26 2fvt h ALA 105 N 1.65 0.46 -0.13 -0.75 0.00 -1.14 -0.72 119.26 118.63 2fvt h ALA 105 Ca 0.37 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2fvt h ALA 105 Cb 0.87 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2fvt h ALA 105 CO -0.11 -0.03 0.04 0.82 0.00 0.00 0.00 179.25 179.97 2fvt h ILE 106 N 0.46 0.97 -0.08 0.00 2.04 -0.13 -1.86 117.51 118.91 2fvt h ILE 106 Ca 0.13 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.99 2fvt h ILE 106 Cb 0.03 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2fvt h ILE 106 CO -0.02 0.02 -0.17 -0.09 0.00 0.00 0.00 178.15 177.89 2fvt h ARG 107 N 0.10 -0.22 -0.59 2.37 2.43 -1.08 -1.44 114.38 115.94 2fvt h ARG 107 Ca 0.05 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2fvt h ARG 107 Cb 0.03 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2fvt h ARG 107 CO -0.06 -0.15 0.29 1.15 -1.51 0.00 0.00 179.97 179.69 2fvt h THR 108 N -0.23 1.19 -0.27 0.20 2.02 -1.02 -2.11 112.91 112.69 2fvt h THR 108 Ca 0.08 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 2fvt h THR 108 Cb 0.34 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2fvt h THR 108 CO -0.22 0.23 0.11 0.22 0.37 0.00 0.00 175.52 176.23 2fvt h TYR 109 N 0.83 0.41 -0.32 3.16 3.20 -0.82 -0.57 116.97 122.86 2fvt h TYR 109 Ca 0.21 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.10 2fvt h TYR 109 Cb 0.08 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2fvt h TYR 109 CO 0.01 0.41 0.22 -0.91 -1.64 0.00 0.00 178.16 176.24 2fvt h ASN 110 N 0.29 0.20 0.06 -2.11 2.35 -0.63 -0.21 115.58 115.52 2fvt h ASN 110 Ca 0.09 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2fvt h ASN 110 Cb 0.17 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2fvt h ASN 110 CO -0.01 0.14 -0.03 0.40 -1.65 0.00 0.00 177.43 176.28 2fvt h ILE 111 N 0.23 0.99 0.00 2.81 1.08 -1.09 -3.37 117.51 118.16 2fvt h ILE 111 Ca 0.14 -1.53 -0.08 0.00 -0.39 0.00 0.00 64.86 63.00 2fvt h ILE 111 Cb 0.26 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.80 2fvt h ILE 111 CO -0.03 0.31 -0.36 0.24 -0.69 0.00 0.00 178.15 177.62 2fvt h MET 112 N -0.94 0.00 0.00 2.37 2.86 -0.77 -2.60 114.93 115.85 2fvt h MET 112 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2fvt h MET 112 Cb 0.57 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 2fvt h MET 112 CO 0.01 0.36 -0.13 0.97 1.06 0.00 0.00 176.91 179.19 2fvt h ILE 113 N 0.00 0.83 0.00 -1.22 6.09 -1.20 -1.68 117.51 120.33 2fvt h ILE 113 Ca -0.00 -0.49 -0.11 0.00 -1.37 0.00 0.00 64.86 62.89 2fvt h ILE 113 Cb 0.67 1.28 -0.02 0.00 0.47 0.00 0.00 36.82 39.23 2fvt h ILE 113 CO 0.05 0.13 -0.53 1.23 -3.07 0.00 0.00 178.15 175.95 2fvt h GLY 114 N 0.57 0.00 -1.95 8.18 0.00 -1.62 -2.74 103.07 105.51 2fvt h GLY 114 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fvt h GLY 114 CO 0.02 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.74 2fvt n GLU 115 N -3.80 2.50 -1.93 4.80 -0.58 -0.67 -4.89 120.64 116.06 2fvt n GLU 115 Ca -0.01 -1.69 -0.20 0.00 -0.42 0.00 0.00 57.16 54.83 2fvt n GLU 115 Cb 0.56 -1.57 -0.05 0.00 -0.57 0.00 0.00 31.44 29.81 2fvt n GLU 115 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2fvt n ARG 116 N 0.64 -1.51 -2.35 3.49 1.74 -1.04 -4.94 116.66 112.69 2fvt n ARG 116 Ca 0.15 1.12 -0.41 0.00 -0.77 0.00 0.00 57.85 57.95 2fvt n ARG 116 Cb 0.53 -5.60 -0.03 0.00 -1.02 0.00 0.00 32.46 26.33 2fvt n ARG 116 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2fvt s ARG 117 N -4.28 4.52 -1.37 5.56 1.81 -0.96 -4.90 118.95 119.34 2fvt s ARG 117 Ca 0.00 1.93 -0.14 0.00 -1.72 0.00 0.00 55.73 55.81 2fvt s ARG 117 Cb 0.00 -3.17 -0.02 0.00 -0.45 0.00 0.00 34.95 31.31 2fvt s ARG 117 CO 0.00 0.02 2.34 0.54 -0.68 0.00 0.00 175.30 177.52 2fvt n ARG 118 N 1.50 2.80 -3.71 3.54 1.74 -1.26 -4.63 116.66 116.64 2fvt n ARG 118 Ca 0.01 -2.34 -0.37 0.00 -0.77 0.00 0.00 57.85 54.38 2fvt n ARG 118 Cb 0.44 -3.08 -0.11 0.00 -1.02 0.00 0.00 32.46 28.68 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 3.25 4.91 -0.25 1.55 0.11 -1.26 -0.30 120.40 128.41 2fvt s VAL 119 Ca 0.53 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 59.52 2fvt s VAL 119 Cb 0.15 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 2fvt s VAL 119 CO -0.05 0.32 0.12 0.00 -3.33 0.00 0.00 175.10 172.16 2fvt s ALA 120 N 1.44 3.36 -0.49 1.54 0.00 0.68 -3.50 121.76 124.79 2fvt s ALA 120 Ca 0.06 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 2fvt s ALA 120 Cb -0.15 -2.23 0.08 0.00 0.00 0.00 0.00 23.12 20.82 2fvt s ALA 120 CO 0.06 -0.42 0.47 0.00 0.00 0.00 0.00 175.76 175.87 2fvt s ALA 121 N 1.50 3.53 -0.69 0.00 0.00 0.30 -1.28 121.76 125.11 2fvt s ALA 121 Ca 0.06 -2.08 -0.22 0.00 0.00 0.00 0.00 51.96 49.72 2fvt s ALA 121 Cb -0.15 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 19.88 2fvt s ALA 121 CO 0.06 -1.85 0.96 0.00 0.00 0.00 0.00 175.76 174.93 2fvt s ALA 122 N 1.90 3.19 -0.39 0.00 0.00 -0.29 -1.51 121.76 124.65 2fvt s ALA 122 Ca 0.07 -2.03 -0.13 0.00 0.00 0.00 0.00 51.96 49.86 2fvt s ALA 122 Cb -0.24 -3.85 0.02 0.00 0.00 0.00 0.00 23.12 19.05 2fvt s ALA 122 CO 0.07 -2.76 0.26 -0.51 0.00 0.00 0.00 175.76 172.82 2fvt s LEU 123 N 3.69 4.90 -0.07 0.00 1.43 -1.03 -0.45 118.68 127.15 2fvt s LEU 123 Ca 0.23 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 2fvt s LEU 123 Cb -0.16 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 2fvt s LEU 123 CO 0.07 -0.40 0.41 -0.63 0.23 0.00 0.00 176.35 176.02 2fvt s ILE 124 N 1.64 5.14 0.41 -0.59 1.01 -0.09 -2.03 121.20 126.68 2fvt s ILE 124 Ca 0.04 0.82 -0.23 0.00 0.00 0.00 0.00 60.65 61.28 2fvt s ILE 124 Cb -0.19 -3.73 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 2fvt s ILE 124 CO 0.09 0.46 1.04 0.00 0.00 0.00 0.00 174.94 176.52 2fvt s ALA 125 N -0.20 3.06 -0.18 9.38 0.00 0.13 -4.01 121.76 129.94 2fvt s ALA 125 Ca 0.23 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 2fvt s ALA 125 Cb -0.15 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 2fvt s ALA 125 CO 0.10 -0.18 1.34 0.14 0.00 0.00 0.00 175.76 177.16 2fvt s VAL 126 N -1.73 4.14 -2.00 0.00 -7.23 -1.26 -4.70 120.40 107.61 2fvt s VAL 126 Ca 0.59 1.36 0.21 0.00 -1.81 0.00 0.00 61.98 62.33 2fvt s VAL 126 Cb -0.20 -3.94 0.61 0.00 0.56 0.00 0.00 36.38 33.40 2fvt s VAL 126 CO 0.25 -0.19 1.67 -2.65 -0.31 0.00 0.00 175.10 173.87 2fvt n PRO 127 N 6.86 0.71 0.00 4.82 -0.02 -1.26 -4.67 135.00 141.43 2fvt n PRO 127 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2fvt n PRO 127 Cb 0.45 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2fvt n PRO 127 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2fvt n LEU 128 N -0.97 0.00 -0.36 2.45 7.94 -1.26 -1.09 117.00 123.71 2fvt n LEU 128 Ca 0.16 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.14 2fvt n LEU 128 Cb 0.07 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.17 2fvt n LEU 128 CO 0.12 0.00 0.45 1.21 -1.11 0.00 0.00 177.39 178.06 2fvt n GLU 129 N 0.00 1.23 0.00 1.96 4.07 -1.26 -4.98 120.64 121.66 2fvt n GLU 129 Ca 0.00 -2.70 0.00 0.00 -0.06 0.00 0.00 57.16 54.40 2fvt n GLU 129 Cb 0.00 -1.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 2fvt n GLU 129 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2fvt n HIS 130 N -1.12 0.00 -4.22 4.31 8.25 -0.25 -4.80 115.22 117.39 2fvt n HIS 130 Ca 0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.44 2fvt n HIS 130 Cb 0.69 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.69 2fvt n HIS 130 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2fvt s HIS 131 N 0.00 1.33 -0.85 4.41 3.76 -1.26 -4.97 115.29 117.71 2fvt s HIS 131 Ca 0.00 -0.56 -0.25 0.00 -0.15 0.00 0.00 55.06 54.10 2fvt s HIS 131 Cb 0.00 -0.70 -0.03 0.00 1.11 0.00 0.00 32.58 32.96 2fvt s HIS 131 CO 0.00 0.11 1.84 -3.38 -0.85 0.00 0.00 174.74 172.46 2fvt s HIS 132 N -2.12 1.88 0.00 1.40 -3.43 -1.26 -4.75 115.29 107.02 2fvt s HIS 132 Ca 0.07 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.79 2fvt s HIS 132 Cb -0.05 -4.16 0.00 0.00 -1.43 0.00 0.00 32.58 26.94 2fvt s HIS 132 CO 0.02 -1.90 0.00 0.72 -2.00 0.00 0.00 174.74 171.58 2fvt n HIS 133 N 12.93 0.00 -3.64 0.38 -0.00 -1.26 -4.47 115.22 119.16 2fvt n HIS 133 Ca 0.34 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.99 2fvt n HIS 133 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.41 2fvt n HIS 133 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2fvt s HIS 134 N 0.00 -0.37 0.00 4.41 -3.43 -1.26 -5.11 115.29 109.52 2fvt s HIS 134 Ca 0.00 0.88 0.00 0.00 -0.80 0.00 0.00 55.06 55.14 2fvt s HIS 134 Cb 0.00 0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.53 2fvt s HIS 134 CO 0.00 -0.18 0.00 1.58 -2.00 0.00 0.00 174.74 174.14