#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3i s ALA 2 N 0.00 -0.24 1.27 3.04 0.00 -1.26 -4.86 121.76 119.71 2f3i s ALA 2 Ca 0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 2f3i s ALA 2 Cb 0.00 1.05 0.28 0.00 0.00 0.00 0.00 23.12 24.45 2f3i s ALA 2 CO 0.00 -0.87 0.88 0.41 0.00 0.00 0.00 175.76 176.19 2f3i n GLY 3 N -0.40 -3.05 3.13 0.00 0.00 -0.16 -5.04 105.19 99.67 2f3i n GLY 3 Ca -0.02 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 2f3i n GLY 3 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f3i s ILE 4 N -2.49 0.76 -0.27 -0.61 -4.36 -0.20 -4.82 121.20 109.21 2f3i s ILE 4 Ca 0.60 -1.43 -0.29 0.00 -0.26 0.00 0.00 60.65 59.27 2f3i s ILE 4 Cb -0.07 -1.09 -0.02 0.00 1.25 0.00 0.00 42.46 42.54 2f3i s ILE 4 CO 0.47 -0.50 1.56 -1.48 0.24 0.00 0.00 174.94 175.23 2f3i s LEU 5 N -2.12 3.79 -0.09 0.37 2.34 -1.26 -2.80 118.68 118.91 2f3i s LEU 5 Ca -0.00 1.40 -0.30 0.00 0.06 0.00 0.00 54.13 55.28 2f3i s LEU 5 Cb -0.05 -3.53 0.08 0.00 -0.56 0.00 0.00 46.19 42.13 2f3i s LEU 5 CO -0.00 -1.31 0.75 0.12 -1.06 0.00 0.00 176.35 174.84 2f3i s PHE 6 N 5.32 -0.62 -0.19 3.48 5.36 -1.26 -5.04 117.98 125.03 2f3i s PHE 6 Ca 0.69 1.12 -0.17 0.00 -0.96 0.00 0.00 56.93 57.60 2f3i s PHE 6 Cb -0.22 0.40 0.05 0.00 -0.34 0.00 0.00 43.02 42.92 2f3i s PHE 6 CO 0.29 -0.53 0.51 -2.00 -1.46 0.00 0.00 175.22 172.03 2f3i s GLU 7 N -1.00 0.58 -0.08 10.12 2.12 -1.26 -3.51 118.70 125.66 2f3i s GLU 7 Ca -0.08 0.73 -0.16 0.00 0.36 0.00 0.00 54.97 55.82 2f3i s GLU 7 Cb -0.01 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.68 2f3i s GLU 7 CO 0.07 -0.08 0.38 0.34 -0.54 0.00 0.00 175.26 175.44 2f3i s ASP 8 N 0.40 -0.34 0.23 -1.70 2.15 -0.63 -5.02 116.67 111.77 2f3i s ASP 8 Ca -0.01 0.49 -0.19 0.00 0.43 0.00 0.00 52.55 53.27 2f3i s ASP 8 Cb -0.04 0.58 -0.08 0.00 -0.30 0.00 0.00 42.92 43.08 2f3i s ASP 8 CO -0.01 -0.31 0.72 -0.63 -0.17 0.00 0.00 175.17 174.78 2f3i s ILE 9 N -0.56 4.58 0.05 4.11 1.09 -1.26 -0.94 121.20 128.27 2f3i s ILE 9 Ca -0.07 1.24 0.04 0.00 -1.10 0.00 0.00 60.65 60.76 2f3i s ILE 9 Cb -0.04 -3.83 -0.02 0.00 -1.06 0.00 0.00 42.46 37.51 2f3i s ILE 9 CO 0.03 0.17 -0.11 -0.36 -0.10 0.00 0.00 174.94 174.57 2f3i s PHE 10 N -1.57 0.95 -0.11 3.97 0.40 0.36 -0.96 117.98 121.02 2f3i s PHE 10 Ca 0.44 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 2f3i s PHE 10 Cb -0.16 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 42.81 2f3i s PHE 10 CO 0.21 -0.01 -0.20 0.34 0.70 0.00 0.00 175.22 176.26 2f3i s ASP 11 N -1.39 3.46 -0.27 1.36 2.15 -0.52 -1.63 116.67 119.83 2f3i s ASP 11 Ca -0.04 -0.46 -0.29 0.00 0.43 0.00 0.00 52.55 52.19 2f3i s ASP 11 Cb -0.09 -1.44 -0.02 0.00 -0.30 0.00 0.00 42.92 41.07 2f3i s ASP 11 CO 0.01 0.17 1.62 -0.69 -0.17 0.00 0.00 175.17 176.12 2f3i s VAL 12 N 0.29 3.68 0.01 1.11 1.01 -1.26 -1.36 120.40 123.88 2f3i s VAL 12 Ca -0.14 0.75 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 2f3i s VAL 12 Cb -0.17 -3.76 -0.27 0.00 0.00 0.00 0.00 36.38 32.18 2f3i s VAL 12 CO 0.07 -0.38 0.86 0.11 0.00 0.00 0.00 175.10 175.77 2f3i h LYS 13 N 11.17 0.22 -3.32 2.72 1.79 -0.78 -3.48 116.57 124.89 2f3i h LYS 13 Ca -0.33 -0.38 0.01 0.00 -2.18 0.00 0.00 60.65 57.77 2f3i h LYS 13 Cb 1.15 0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 31.87 2f3i h LYS 13 CO 1.02 1.07 0.06 0.34 -1.08 0.00 0.00 179.45 180.86 2f3i s ASP 14 N -6.91 -0.17 -0.02 0.86 2.15 -0.73 -4.99 116.67 106.86 2f3i s ASP 14 Ca -0.08 -0.78 0.01 0.00 0.43 0.00 0.00 52.55 52.13 2f3i s ASP 14 Cb 0.07 0.66 0.02 0.00 -0.30 0.00 0.00 42.92 43.37 2f3i s ASP 14 CO 0.85 -1.25 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.96 2f3i s ILE 15 N -3.94 0.19 -0.28 4.11 1.09 -1.26 -0.66 121.20 120.45 2f3i s ILE 15 Ca 0.17 0.03 -0.00 0.00 -1.10 0.00 0.00 60.65 59.75 2f3i s ILE 15 Cb -0.03 -0.25 0.09 0.00 -1.06 0.00 0.00 42.46 41.20 2f3i s ILE 15 CO 0.08 0.12 0.05 -0.62 -0.10 0.00 0.00 174.94 174.47 2f3i s ASP 16 N 0.74 3.94 -0.04 3.58 2.15 -0.22 -4.98 116.67 121.84 2f3i s ASP 16 Ca -0.07 -1.50 0.18 0.00 0.43 0.00 0.00 52.55 51.59 2f3i s ASP 16 Cb -0.11 -1.00 0.55 0.00 -0.30 0.00 0.00 42.92 42.06 2f3i s ASP 16 CO -0.01 -0.36 1.46 -0.81 -0.17 0.00 0.00 175.17 175.29 2f3i n PRO 17 N 4.75 3.02 -1.95 4.34 -0.04 -1.26 -0.92 135.00 142.94 2f3i n PRO 17 Ca -0.04 -2.54 -0.40 0.00 -0.04 0.00 0.00 63.50 60.48 2f3i n PRO 17 Cb 0.43 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 2f3i n PRO 17 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2f3i n GLU 18 N 1.04 2.48 0.00 0.54 1.02 -1.26 -1.73 120.64 122.73 2f3i n GLU 18 Ca 0.21 -2.65 0.00 0.00 -0.02 0.00 0.00 57.16 54.70 2f3i n GLU 18 Cb 0.64 -3.36 0.00 0.00 -0.02 0.00 0.00 31.44 28.70 2f3i n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f3i n GLY 19 N 4.90 0.36 3.57 0.62 0.00 -1.26 -5.09 105.19 108.29 2f3i n GLY 19 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 2f3i n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f3i s LYS 20 N 0.00 2.72 0.24 1.61 -0.14 -0.71 -4.78 119.74 118.68 2f3i s LYS 20 Ca 0.00 -0.76 -0.05 0.00 -1.36 0.00 0.00 55.97 53.80 2f3i s LYS 20 Cb 0.00 -5.18 0.40 0.00 -1.68 0.00 0.00 37.83 31.37 2f3i s LYS 20 CO 0.00 -3.40 1.79 -0.22 -0.76 0.00 0.00 175.35 172.76 2f3i h LYS 21 N 10.41 0.69 -5.85 1.68 1.63 -1.94 -3.04 116.57 120.15 2f3i h LYS 21 Ca 0.17 -0.04 -0.60 0.00 -0.85 0.00 0.00 60.65 59.32 2f3i h LYS 21 Cb 0.98 -0.16 -0.08 0.00 -0.60 0.00 0.00 32.23 32.37 2f3i h LYS 21 CO 1.25 0.46 1.88 -0.06 -3.45 0.00 0.00 179.45 179.53 2f3i s PHE 22 N -6.03 2.59 0.60 1.91 0.08 -1.26 -4.85 117.98 111.02 2f3i s PHE 22 Ca -0.12 -1.13 0.30 0.00 0.12 0.00 0.00 56.93 56.10 2f3i s PHE 22 Cb 0.19 -4.62 1.74 0.00 -0.57 0.00 0.00 43.02 39.76 2f3i s PHE 22 CO 0.78 -1.75 2.12 0.22 -0.10 0.00 0.00 175.22 176.49 2f3i h ASP 23 N 8.38 0.00 0.00 1.36 3.58 -1.95 -0.33 116.42 127.47 2f3i h ASP 23 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 2f3i h ASP 23 Cb 0.91 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.96 2f3i h ASP 23 CO 1.41 0.00 0.00 -2.11 -2.88 0.00 0.00 179.24 175.66 2f3i n ARG 24 N -3.66 0.69 -4.43 0.28 1.85 -1.26 -4.71 116.66 105.42 2f3i n ARG 24 Ca 0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 2f3i n ARG 24 Cb 0.29 -1.31 -0.11 0.00 -1.05 0.00 0.00 32.46 30.28 2f3i n ARG 24 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2f3i s VAL 25 N -2.00 2.99 0.08 8.89 1.01 -0.13 -0.57 120.40 130.67 2f3i s VAL 25 Ca 0.21 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 2f3i s VAL 25 Cb 0.09 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2f3i s VAL 25 CO 0.16 0.21 0.30 -0.44 0.00 0.00 0.00 175.10 175.33 2f3i s SER 26 N -1.84 -0.09 -0.98 3.32 0.01 -0.12 -4.85 113.70 109.15 2f3i s SER 26 Ca 0.17 -0.37 -0.20 0.00 1.31 0.00 0.00 55.95 56.87 2f3i s SER 26 Cb -0.11 0.39 0.10 0.00 0.21 0.00 0.00 66.02 66.61 2f3i s SER 26 CO 0.09 -0.72 1.27 -0.60 0.41 0.00 0.00 173.24 173.68 2f3i s ARG 27 N -3.34 3.62 0.64 12.44 3.52 -0.10 -1.49 118.95 134.25 2f3i s ARG 27 Ca 0.00 -1.57 -0.17 0.00 -0.13 0.00 0.00 55.73 53.87 2f3i s ARG 27 Cb 0.02 -5.10 -0.01 0.00 -1.56 0.00 0.00 34.95 28.30 2f3i s ARG 27 CO -0.08 -1.94 1.18 -0.51 -0.81 0.00 0.00 175.30 173.13 2f3i s LEU 28 N 3.50 3.52 -0.05 -0.88 1.43 0.58 -1.06 118.68 125.71 2f3i s LEU 28 Ca 0.38 2.27 0.04 0.00 -1.03 0.00 0.00 54.13 55.79 2f3i s LEU 28 Cb -0.03 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.61 2f3i s LEU 28 CO -0.09 -1.74 -0.16 -1.00 0.23 0.00 0.00 176.35 173.59 2f3i s HIS 29 N -1.89 1.71 0.16 0.29 3.76 0.16 -1.21 115.29 118.27 2f3i s HIS 29 Ca 0.74 -0.55 -0.05 0.00 -0.15 0.00 0.00 55.06 55.04 2f3i s HIS 29 Cb -0.27 -1.17 -0.02 0.00 1.11 0.00 0.00 32.58 32.22 2f3i s HIS 29 CO 0.38 -0.22 0.19 0.00 -0.85 0.00 0.00 174.74 174.23 2f3i s GLU 31 N -4.01 0.48 0.30 0.00 2.12 -0.46 -1.39 118.70 115.73 2f3i s GLU 31 Ca 0.22 -0.17 -0.30 0.00 0.36 0.00 0.00 54.97 55.08 2f3i s GLU 31 Cb 0.05 -0.48 -0.11 0.00 0.26 0.00 0.00 34.13 33.85 2f3i s GLU 31 CO 0.02 0.08 1.61 0.45 -0.54 0.00 0.00 175.26 176.87 2f3i s SER 32 N 0.06 6.34 -0.03 -1.70 0.15 -0.47 -1.44 113.70 116.61 2f3i s SER 32 Ca -0.00 2.98 -0.17 0.00 0.70 0.00 0.00 55.95 59.46 2f3i s SER 32 Cb -0.04 -2.64 -0.32 0.00 -1.71 0.00 0.00 66.02 61.31 2f3i s SER 32 CO -0.00 -0.93 0.84 -0.08 1.20 0.00 0.00 173.24 174.26 2f3i h GLU 33 N 4.80 0.40 0.00 5.44 4.81 -1.40 -3.42 114.58 125.22 2f3i h GLU 33 Ca -0.47 -0.68 -0.21 0.00 -0.13 0.00 0.00 59.36 57.87 2f3i h GLU 33 Cb 1.22 0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.82 2f3i h GLU 33 CO 0.79 1.33 -1.64 0.43 -0.73 0.00 0.00 179.01 179.19 2f3i n SER 34 N -3.86 0.70 0.00 1.04 7.64 -1.26 -4.97 113.62 112.91 2f3i n SER 34 Ca -0.19 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2f3i n SER 34 Cb 0.98 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 2f3i n SER 34 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2f3i n PHE 35 N -2.86 0.00 -1.49 1.43 3.72 -1.26 -5.08 117.46 111.92 2f3i n PHE 35 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2f3i n PHE 35 Cb 0.91 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 2f3i n PHE 35 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2f3i n LYS 36 N 0.00 0.00 -2.12 -1.08 5.02 -1.26 -4.98 118.16 113.74 2f3i n LYS 36 Ca 0.00 -0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 55.90 2f3i n LYS 36 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2f3i s MET 37 N 0.00 3.65 -0.03 1.97 -1.94 -1.26 -4.80 119.30 116.89 2f3i s MET 37 Ca 0.00 1.94 0.06 0.00 -1.71 0.00 0.00 55.69 55.98 2f3i s MET 37 Cb 0.00 -2.43 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 2f3i s MET 37 CO 0.00 -0.69 -0.22 0.34 -0.01 0.00 0.00 175.02 174.44 2f3i s ASP 38 N -1.17 2.58 0.05 3.03 2.15 -0.55 -1.37 116.67 121.40 2f3i s ASP 38 Ca 0.64 -0.41 0.02 0.00 0.43 0.00 0.00 52.55 53.23 2f3i s ASP 38 Cb -0.33 -0.44 -0.03 0.00 -0.30 0.00 0.00 42.92 41.82 2f3i s ASP 38 CO 0.40 0.24 -0.07 -0.76 -0.17 0.00 0.00 175.17 174.81 2f3i s LEU 39 N -0.35 2.32 0.00 -1.34 1.43 -0.48 -1.33 118.68 118.93 2f3i s LEU 39 Ca 0.04 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2f3i s LEU 39 Cb -0.10 -0.12 -0.00 0.00 0.03 0.00 0.00 46.19 46.00 2f3i s LEU 39 CO 0.01 -0.28 -0.04 -0.63 0.23 0.00 0.00 176.35 175.64 2f3i s ILE 40 N -1.97 0.28 -0.29 -0.59 -1.09 0.45 -0.74 121.20 117.25 2f3i s ILE 40 Ca -0.05 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 2f3i s ILE 40 Cb -0.06 -0.26 0.14 0.00 -1.58 0.00 0.00 42.46 40.71 2f3i s ILE 40 CO -0.01 0.04 0.33 -0.76 -1.23 0.00 0.00 174.94 173.31 2f3i s LEU 41 N -0.20 -0.42 -0.90 2.97 1.43 -0.35 -0.76 118.68 120.45 2f3i s LEU 41 Ca 0.00 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.29 2f3i s LEU 41 Cb -0.02 0.71 0.08 0.00 0.03 0.00 0.00 46.19 46.99 2f3i s LEU 41 CO -0.00 -0.37 1.24 -0.62 0.23 0.00 0.00 176.35 176.83 2f3i s ASP 42 N 2.42 6.45 0.18 2.29 2.15 0.66 -0.31 116.67 130.52 2f3i s ASP 42 Ca 0.09 -1.46 -0.05 0.00 0.43 0.00 0.00 52.55 51.57 2f3i s ASP 42 Cb -0.13 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 39.97 2f3i s ASP 42 CO -0.31 -1.39 0.20 0.68 -0.17 0.00 0.00 175.17 174.18 2f3i s VAL 43 N 4.14 0.04 0.31 1.11 -7.23 -0.56 -1.72 120.40 116.49 2f3i s VAL 43 Ca 0.36 -1.75 -0.29 0.00 -1.81 0.00 0.00 61.98 58.50 2f3i s VAL 43 Cb -0.05 -2.18 -0.13 0.00 0.56 0.00 0.00 36.38 34.58 2f3i s VAL 43 CO -0.04 -0.19 1.33 -3.20 -0.31 0.00 0.00 175.10 172.69 2f3i n ASN 44 N -0.23 2.79 0.00 4.85 5.15 -1.26 -0.94 115.26 125.62 2f3i n ASN 44 Ca -0.03 1.19 0.00 0.00 -0.60 0.00 0.00 54.58 55.14 2f3i n ASN 44 Cb 0.64 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 2f3i n ASN 44 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2f3i n ILE 45 N 0.81 0.13 0.40 -1.44 -6.64 0.26 -4.77 119.36 108.12 2f3i n ILE 45 Ca 0.07 -0.55 0.05 0.00 -1.77 0.00 0.00 62.75 60.55 2f3i n ILE 45 Cb 0.35 0.97 0.24 0.00 -1.44 0.00 0.00 39.64 39.76 2f3i n ILE 45 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2f3i n GLN 46 N -0.07 0.02 0.30 6.28 10.64 -1.25 -0.36 117.38 132.94 2f3i n GLN 46 Ca 0.00 0.29 0.16 0.00 -1.83 0.00 0.00 57.00 55.62 2f3i n GLN 46 Cb 0.04 -1.50 0.93 0.00 -0.86 0.00 0.00 30.24 28.85 2f3i n GLN 46 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2f3i h ILE 47 N 0.00 0.42 -2.73 -0.39 2.04 -1.94 -3.45 117.51 111.46 2f3i h ILE 47 Ca 0.00 -0.14 -0.49 0.00 1.00 0.00 0.00 64.86 65.23 2f3i h ILE 47 Cb 0.18 1.09 -0.14 0.00 -0.74 0.00 0.00 36.82 37.22 2f3i h ILE 47 CO 0.00 0.03 -0.62 -0.31 0.00 0.00 0.00 178.15 177.25 2f3i s TYR 48 N -4.41 2.00 0.82 1.37 2.02 0.52 -5.09 117.35 114.58 2f3i s TYR 48 Ca -0.04 -0.90 -0.14 0.00 -0.37 0.00 0.00 57.07 55.61 2f3i s TYR 48 Cb 0.14 -1.30 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2f3i s TYR 48 CO 0.53 0.07 0.60 -2.30 -1.57 0.00 0.00 175.55 172.89 2f3i n PRO 49 N -0.69 0.08 0.29 -1.71 -0.02 -1.26 -4.87 135.00 126.82 2f3i n PRO 49 Ca -0.03 0.08 0.18 0.00 -2.02 0.00 0.00 63.50 61.71 2f3i n PRO 49 Cb 0.66 -1.95 0.96 0.00 -0.02 0.00 0.00 33.50 33.15 2f3i n PRO 49 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2f3i h VAL 50 N -0.88 0.14 0.00 -1.45 3.04 -1.96 -2.37 116.25 112.77 2f3i h VAL 50 Ca -0.45 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.13 2f3i h VAL 50 Cb 1.32 0.82 -0.25 0.00 -2.01 0.00 0.00 31.29 31.18 2f3i h VAL 50 CO 0.40 0.00 -0.83 -0.67 -1.01 0.00 0.00 177.57 175.46 2f3i n ASP 51 N -3.23 1.22 -4.09 3.17 2.03 -1.26 -5.00 116.55 109.38 2f3i n ASP 51 Ca -0.01 -2.63 -0.10 0.00 0.52 0.00 0.00 54.79 52.57 2f3i n ASP 51 Cb 0.27 -0.37 -0.08 0.00 -0.72 0.00 0.00 41.12 40.21 2f3i n ASP 51 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2f3i s LEU 52 N -1.08 1.00 0.16 -2.67 2.96 -0.89 -4.96 118.68 113.20 2f3i s LEU 52 Ca 0.34 -1.14 -0.12 0.00 -0.22 0.00 0.00 54.13 52.99 2f3i s LEU 52 Cb 0.37 0.87 0.01 0.00 0.50 0.00 0.00 46.19 47.94 2f3i s LEU 52 CO -0.13 -0.91 0.36 -0.83 -1.32 0.00 0.00 176.35 173.53 2f3i s GLY 53 N -3.07 0.20 0.15 7.98 0.00 -1.26 -4.54 107.32 106.79 2f3i s GLY 53 Ca 0.28 -0.59 -0.03 0.00 0.00 0.00 0.00 44.72 44.39 2f3i s GLY 53 CO 0.07 -0.61 0.13 -0.35 0.00 0.00 0.00 173.10 172.34 2f3i s ASP 54 N -2.92 0.21 0.38 1.64 2.15 -1.26 -4.82 116.67 112.06 2f3i s ASP 54 Ca 0.12 -1.17 -0.27 0.00 0.43 0.00 0.00 52.55 51.66 2f3i s ASP 54 Cb 0.02 0.35 -0.11 0.00 -0.30 0.00 0.00 42.92 42.88 2f3i s ASP 54 CO -0.03 -0.80 1.37 0.29 -0.17 0.00 0.00 175.17 175.84 2f3i n LYS 55 N -0.16 2.31 -4.00 4.34 5.02 -1.26 -4.56 118.16 119.85 2f3i n LYS 55 Ca -0.04 0.81 -0.15 0.00 -2.02 0.00 0.00 58.31 56.91 2f3i n LYS 55 Cb 0.64 -2.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 2f3i n LYS 55 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2f3i n PHE 56 N 0.23 -1.45 -4.20 2.13 1.16 -0.65 -3.61 117.46 111.07 2f3i n PHE 56 Ca 0.04 -2.38 -0.20 0.00 -1.87 0.00 0.00 57.45 53.05 2f3i n PHE 56 Cb 0.38 0.55 -0.12 0.00 -1.61 0.00 0.00 39.48 38.68 2f3i n PHE 56 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 2f3i s ARG 57 N -2.81 0.90 -0.05 3.97 1.70 0.33 -0.49 118.95 122.51 2f3i s ARG 57 Ca 0.29 -1.02 0.02 0.00 -0.47 0.00 0.00 55.73 54.55 2f3i s ARG 57 Cb -0.01 -0.96 -0.03 0.00 -0.57 0.00 0.00 34.95 33.38 2f3i s ARG 57 CO 0.21 0.21 -0.07 -1.17 -1.08 0.00 0.00 175.30 173.41 2f3i s LEU 58 N -1.82 3.17 0.05 -1.89 2.96 -0.11 -1.70 118.68 119.34 2f3i s LEU 58 Ca 0.00 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 2f3i s LEU 58 Cb -0.10 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 2f3i s LEU 58 CO 0.03 0.34 0.03 -0.69 -1.32 0.00 0.00 176.35 174.74 2f3i s VAL 59 N -0.87 0.18 -0.08 1.68 1.01 0.19 -1.60 120.40 120.91 2f3i s VAL 59 Ca 0.14 -1.46 0.21 0.00 0.00 0.00 0.00 61.98 60.87 2f3i s VAL 59 Cb -0.11 -1.22 0.43 0.00 0.00 0.00 0.00 36.38 35.48 2f3i s VAL 59 CO 0.03 -0.80 1.18 2.30 0.00 0.00 0.00 175.10 177.81 2f3i n ILE 60 N 0.39 0.81 0.96 2.22 -5.35 -1.23 -0.98 119.36 116.18 2f3i n ILE 60 Ca -0.16 -1.85 0.11 0.00 -0.27 0.00 0.00 62.75 60.58 2f3i n ILE 60 Cb 0.60 0.57 0.08 0.00 -1.74 0.00 0.00 39.64 39.15 2f3i n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2f3i n ALA 61 N -0.09 2.61 -1.12 -1.28 0.00 -1.12 -1.03 120.51 118.49 2f3i n ALA 61 Ca 0.11 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.57 2f3i n ALA 61 Cb 0.99 -0.78 0.24 0.00 0.00 0.00 0.00 19.45 19.90 2f3i n ALA 61 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2f3i s SER 62 N -2.00 0.99 0.20 0.00 1.04 -1.26 -4.36 113.70 108.32 2f3i s SER 62 Ca 0.26 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2f3i s SER 62 Cb 0.19 -0.84 -0.04 0.00 0.10 0.00 0.00 66.02 65.43 2f3i s SER 62 CO 0.33 -4.07 0.07 -0.89 0.98 0.00 0.00 173.24 169.66 2f3i s THR 63 N -3.05 0.35 0.36 2.02 2.01 -1.26 -0.99 115.64 115.09 2f3i s THR 63 Ca 0.71 -1.98 0.05 0.00 0.31 0.00 0.00 61.69 60.79 2f3i s THR 63 Cb -0.09 -2.35 0.20 0.00 0.01 0.00 0.00 72.50 70.26 2f3i s THR 63 CO 0.56 -0.21 1.95 0.25 -0.69 0.00 0.00 174.62 176.47 2f3i h LEU 64 N 2.62 0.49 -0.41 4.42 5.85 -1.89 -3.45 115.31 122.93 2f3i h LEU 64 Ca -0.37 -0.06 0.28 0.00 0.84 0.00 0.00 57.88 58.58 2f3i h LEU 64 Cb 1.23 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 42.00 2f3i h LEU 64 CO 0.59 0.48 -0.86 -1.22 -0.34 0.00 0.00 178.44 177.09 2f3i n TYR 65 N -4.35 -3.00 -2.73 1.25 4.01 -1.26 -5.00 117.16 106.08 2f3i n TYR 65 Ca 0.02 1.62 0.00 0.00 -0.16 0.00 0.00 57.90 59.38 2f3i n TYR 65 Cb 0.17 -2.73 0.00 0.00 -0.31 0.00 0.00 39.34 36.47 2f3i n TYR 65 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2f3i n GLU 66 N -3.89 0.38 0.30 -0.72 0.28 -1.26 -5.03 120.64 110.71 2f3i n GLU 66 Ca -0.05 0.00 0.17 0.00 -0.16 0.00 0.00 57.16 57.12 2f3i n GLU 66 Cb 0.53 0.00 0.99 0.00 1.43 0.00 0.00 31.44 34.40 2f3i n GLU 66 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2f3i h ASP 67 N 0.00 0.00 0.00 -1.84 3.58 -2.07 -3.33 116.42 112.77 2f3i h ASP 67 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2f3i h ASP 67 Cb 0.00 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 40.93 2f3i h ASP 67 CO 0.00 0.00 -0.35 0.61 -2.88 0.00 0.00 179.24 176.62 2f3i n GLY 68 N -1.26 0.73 0.27 -0.78 0.00 -1.26 -4.95 105.19 97.94 2f3i n GLY 68 Ca -0.03 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2f3i n GLY 68 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2f3i h THR 69 N 5.56 0.78 0.00 2.61 2.02 -1.97 -1.21 112.91 120.70 2f3i h THR 69 Ca -0.28 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2f3i h THR 69 Cb 1.37 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2f3i h THR 69 CO -0.11 0.05 0.00 0.18 0.37 0.00 0.00 175.52 176.01 2f3i n LEU 70 N -4.12 0.22 -4.21 2.58 4.77 -1.26 -4.93 117.00 110.05 2f3i n LEU 70 Ca -0.03 0.53 -0.39 0.00 -0.03 0.00 0.00 56.01 56.10 2f3i n LEU 70 Cb 0.13 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 2f3i n LEU 70 CO 0.31 -0.18 -0.33 -0.67 -1.33 0.00 0.00 177.39 175.19 2f3i n ASP 71 N -1.73 -1.42 0.16 -1.43 2.03 -0.46 -4.78 116.55 108.92 2f3i n ASP 71 Ca 0.05 -1.30 0.00 0.00 0.52 0.00 0.00 54.79 54.06 2f3i n ASP 71 Cb 0.29 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.09 2f3i n ASP 71 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2f3i n ASP 72 N -2.53 -1.55 0.00 1.67 2.03 -1.26 -5.05 116.55 109.85 2f3i n ASP 72 Ca -0.23 0.58 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2f3i n ASP 72 Cb 0.63 1.59 0.00 0.00 -0.72 0.00 0.00 41.12 42.63 2f3i n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f3i n GLY 73 N 0.36 0.31 0.13 0.27 0.00 -1.26 -4.79 105.19 100.21 2f3i n GLY 73 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2f3i n GLY 73 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2f3i h GLU 74 N 0.91 0.37 -6.25 1.61 4.81 -1.99 -3.44 114.58 110.60 2f3i h GLU 74 Ca 0.00 -0.64 -0.58 0.00 -0.13 0.00 0.00 59.36 58.01 2f3i h GLU 74 Cb 0.09 0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.72 2f3i h GLU 74 CO 0.00 1.27 1.24 0.98 -0.73 0.00 0.00 179.01 181.77 2f3i n TYR 75 N -3.57 2.32 -3.83 0.92 4.19 -1.26 -4.95 117.16 110.97 2f3i n TYR 75 Ca -0.19 -0.17 -0.09 0.00 3.31 0.00 0.00 57.90 60.76 2f3i n TYR 75 Cb 1.07 -2.73 -0.07 0.00 0.49 0.00 0.00 39.34 38.10 2f3i n TYR 75 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 2f3i s ASN 76 N 5.07 0.03 0.58 2.98 0.01 -1.26 -5.05 114.94 117.30 2f3i s ASN 76 Ca 0.93 -0.63 0.29 0.00 -0.71 0.00 0.00 52.86 52.74 2f3i s ASN 76 Cb -0.54 0.39 1.49 0.00 0.41 0.00 0.00 41.25 43.00 2f3i s ASN 76 CO 0.45 -0.79 1.93 -0.65 -1.51 0.00 0.00 177.10 176.53 2f3i h PRO 77 N 2.63 0.00 0.00 -0.60 0.11 -1.99 -0.51 132.00 131.64 2f3i h PRO 77 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2f3i h PRO 77 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2f3i h PRO 77 CO 0.53 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.57 2f3i n THR 78 N -3.82 1.68 0.30 -1.15 -2.24 -1.26 -0.75 114.28 107.04 2f3i n THR 78 Ca 0.08 0.55 0.19 0.00 -2.27 0.00 0.00 64.05 62.60 2f3i n THR 78 Cb 0.64 -1.54 0.85 0.00 -2.10 0.00 0.00 70.33 68.19 2f3i n THR 78 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2f3i h ASP 79 N 0.00 0.00 0.00 3.42 3.58 -1.45 -3.38 116.42 118.59 2f3i h ASP 79 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 79 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2f3i h ASP 79 CO 0.00 0.00 -0.40 -0.67 -2.88 0.00 0.00 179.24 175.29 2f3i n ASP 80 N -3.05 1.84 -4.71 2.28 2.03 -0.41 -2.68 116.55 111.86 2f3i n ASP 80 Ca -0.01 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.88 2f3i n ASP 80 Cb 0.23 0.13 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 2f3i n ASP 80 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2f3i s ARG 81 N -1.40 4.14 -1.20 -0.67 0.52 0.07 -1.91 118.95 118.50 2f3i s ARG 81 Ca 0.00 2.58 -0.14 0.00 -0.52 0.00 0.00 55.73 57.65 2f3i s ARG 81 Cb 0.00 -3.27 0.14 0.00 0.52 0.00 0.00 34.95 32.34 2f3i s ARG 81 CO 0.00 -0.77 0.35 -2.30 0.02 0.00 0.00 175.30 172.59 2f3i n PRO 82 N 4.59 -0.83 0.00 3.54 -0.02 -1.26 -4.63 135.00 136.40 2f3i n PRO 82 Ca 0.16 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2f3i n PRO 82 Cb 0.37 -2.97 0.00 0.00 -0.02 0.00 0.00 33.50 30.87 2f3i n PRO 82 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2f3i n SER 83 N -1.36 0.00 -3.48 2.55 7.64 -0.80 -5.08 113.62 113.09 2f3i n SER 83 Ca 0.05 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.85 2f3i n SER 83 Cb 0.31 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.43 2f3i n SER 83 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2f3i s ARG 84 N 1.12 0.36 0.48 1.43 6.06 -1.09 -4.71 118.95 122.60 2f3i s ARG 84 Ca 0.00 0.82 -0.23 0.00 -2.50 0.00 0.00 55.73 53.83 2f3i s ARG 84 Cb 0.00 0.01 -0.07 0.00 0.06 0.00 0.00 34.95 34.95 2f3i s ARG 84 CO 0.00 -0.45 1.22 0.00 -2.50 0.00 0.00 175.30 173.57 2f3i s ALA 85 N 2.61 2.95 0.00 6.12 0.00 -1.10 -4.80 121.76 127.55 2f3i s ALA 85 Ca 0.06 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2f3i s ALA 85 Cb -0.14 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2f3i s ALA 85 CO -0.15 -0.84 0.00 -3.47 0.00 0.00 0.00 175.76 171.30 2f3i n ASP 86 N -0.57 0.00 0.12 0.00 2.03 -1.26 -4.82 116.55 112.04 2f3i n ASP 86 Ca 0.08 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.53 2f3i n ASP 86 Cb 0.47 0.00 0.66 0.00 -0.72 0.00 0.00 41.12 41.53 2f3i n ASP 86 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2f3i h GLN 87 N 0.00 0.00 -3.98 -0.67 7.50 -2.01 -3.44 115.11 112.52 2f3i h GLN 87 Ca 0.00 -0.00 -0.18 0.00 0.50 0.00 0.00 58.65 58.97 2f3i h GLN 87 Cb 0.00 -0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.44 2f3i h GLN 87 CO 0.00 0.00 -0.21 -0.59 -1.50 0.00 0.00 178.83 176.53 2f3i s PHE 88 N -5.04 0.79 0.00 2.96 -0.71 -1.26 -5.01 117.98 109.70 2f3i s PHE 88 Ca -0.05 -1.08 0.00 0.00 -1.04 0.00 0.00 56.93 54.76 2f3i s PHE 88 Cb 0.18 -0.02 0.00 0.00 -1.21 0.00 0.00 43.02 41.97 2f3i s PHE 88 CO 0.70 -1.03 0.00 -1.91 -1.34 0.00 0.00 175.22 171.65 2f3i n GLU 89 N -0.45 0.67 -3.68 1.99 4.07 0.17 -4.78 120.64 118.62 2f3i n GLU 89 Ca -0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 2f3i n GLU 89 Cb 0.62 -0.88 -0.06 0.00 -0.06 0.00 0.00 31.44 31.06 2f3i n GLU 89 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 2f3i s TYR 90 N -1.77 -0.15 -0.02 4.31 5.04 -0.57 -4.97 117.35 119.22 2f3i s TYR 90 Ca 0.00 -0.11 -0.08 0.00 -2.44 0.00 0.00 57.07 54.44 2f3i s TYR 90 Cb 0.00 0.19 0.01 0.00 0.35 0.00 0.00 41.96 42.51 2f3i s TYR 90 CO 0.00 -0.63 0.17 0.14 -1.34 0.00 0.00 175.55 173.88 2f3i s VAL 91 N -3.44 0.06 0.27 3.14 -7.23 -1.26 -0.76 120.40 111.17 2f3i s VAL 91 Ca 0.01 -0.47 -0.20 0.00 -1.81 0.00 0.00 61.98 59.51 2f3i s VAL 91 Cb 0.02 -0.40 0.06 0.00 0.56 0.00 0.00 36.38 36.61 2f3i s VAL 91 CO -0.09 -0.26 0.87 -0.32 -0.31 0.00 0.00 175.10 174.99 2f3i s MET 92 N -0.93 1.73 0.09 4.82 1.75 0.15 -4.97 119.30 121.94 2f3i s MET 92 Ca -0.10 -1.07 0.03 0.00 -1.25 0.00 0.00 55.69 53.31 2f3i s MET 92 Cb -0.06 0.52 -0.03 0.00 2.84 0.00 0.00 34.83 38.10 2f3i s MET 92 CO 0.01 -0.81 -0.10 -0.47 -0.65 0.00 0.00 175.02 173.01 2f3i s TYR 93 N -2.74 0.99 0.00 4.11 5.04 -1.24 -1.65 117.35 121.86 2f3i s TYR 93 Ca 0.16 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 2f3i s TYR 93 Cb -0.04 -0.55 0.00 0.00 0.35 0.00 0.00 41.96 41.72 2f3i s TYR 93 CO 0.07 -0.02 0.00 0.41 -1.34 0.00 0.00 175.55 174.67 2f3i n GLY 94 N 0.73 2.83 2.92 8.97 0.00 -1.10 -4.08 105.19 115.46 2f3i n GLY 94 Ca -0.17 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2f3i n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f3i s LYS 95 N 1.77 0.06 0.36 1.61 2.20 -0.23 -4.75 119.74 120.75 2f3i s LYS 95 Ca 0.00 0.09 -0.17 0.00 -0.36 0.00 0.00 55.97 55.53 2f3i s LYS 95 Cb 0.00 0.01 -0.10 0.00 -1.51 0.00 0.00 37.83 36.23 2f3i s LYS 95 CO 0.00 -0.02 0.82 0.08 -0.36 0.00 0.00 175.35 175.87 2f3i s VAL 96 N 0.13 4.56 -0.34 4.02 1.01 -1.16 -1.61 120.40 127.01 2f3i s VAL 96 Ca -0.01 1.17 0.14 0.00 0.00 0.00 0.00 61.98 63.28 2f3i s VAL 96 Cb -0.02 -3.61 0.45 0.00 0.00 0.00 0.00 36.38 33.21 2f3i s VAL 96 CO -0.00 -0.23 1.03 -1.22 0.00 0.00 0.00 175.10 174.67 2f3i n TYR 97 N -0.45 1.88 -3.86 5.22 4.02 0.36 -4.97 117.16 119.36 2f3i n TYR 97 Ca 0.05 -2.78 -0.09 0.00 -0.01 0.00 0.00 57.90 55.07 2f3i n TYR 97 Cb 0.53 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 39.51 2f3i n TYR 97 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2f3i s ARG 98 N -3.34 1.10 1.00 -0.72 1.81 -1.26 -4.66 118.95 112.88 2f3i s ARG 98 Ca 0.34 -1.01 -0.14 0.00 -1.72 0.00 0.00 55.73 53.20 2f3i s ARG 98 Cb 0.42 0.40 0.19 0.00 -0.45 0.00 0.00 34.95 35.52 2f3i s ARG 98 CO -0.03 -0.41 1.12 0.96 -0.68 0.00 0.00 175.30 176.26 2f3i s ILE 99 N -3.91 1.94 -2.00 1.52 -4.36 -1.26 -4.92 121.20 108.21 2f3i s ILE 99 Ca 0.11 0.00 0.12 0.00 -0.26 0.00 0.00 60.65 60.62 2f3i s ILE 99 Cb 0.03 -2.61 0.34 0.00 1.25 0.00 0.00 42.46 41.48 2f3i s ILE 99 CO -0.05 0.00 1.26 -1.84 0.24 0.00 0.00 174.94 174.55 2f3i n GLU 100 N -4.11 0.72 -2.29 0.37 0.28 -1.26 -4.53 120.64 109.82 2f3i n GLU 100 Ca 0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.88 2f3i n GLU 100 Cb 0.58 -1.26 -0.02 0.00 1.43 0.00 0.00 31.44 32.18 2f3i n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2f3i n GLY 101 N 0.34 -0.20 2.92 -1.84 0.00 -1.26 -4.79 105.19 100.35 2f3i n GLY 101 Ca 0.09 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2f3i n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3i s ASP 102 N -2.19 2.22 -0.02 1.61 2.15 -1.26 -1.24 116.67 117.94 2f3i s ASP 102 Ca 0.00 -0.32 0.08 0.00 0.43 0.00 0.00 52.55 52.74 2f3i s ASP 102 Cb 0.00 -0.87 -0.12 0.00 -0.30 0.00 0.00 42.92 41.63 2f3i s ASP 102 CO 0.00 -0.11 0.15 1.21 -0.17 0.00 0.00 175.17 176.25 2f3i n GLU 103 N 4.90 0.54 -0.70 4.34 4.07 -1.26 -4.93 120.64 127.61 2f3i n GLU 103 Ca -0.13 -0.06 0.04 0.00 -0.06 0.00 0.00 57.16 56.94 2f3i n GLU 103 Cb 0.50 -1.18 -0.01 0.00 -0.06 0.00 0.00 31.44 30.68 2f3i n GLU 103 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2f3i n THR 104 N -1.83 -0.00 0.00 6.31 -2.24 -1.23 -4.92 114.28 110.37 2f3i n THR 104 Ca -0.03 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2f3i n THR 104 Cb 0.27 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2f3i n THR 104 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2f3i n SER 105 N -4.06 -0.00 0.16 3.42 7.64 -1.26 -4.71 113.62 114.81 2f3i n SER 105 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2f3i n SER 105 Cb 0.53 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 2f3i n SER 105 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2f3i n THR 106 N -2.09 0.00 -3.03 0.44 -2.24 -1.26 -4.97 114.28 101.12 2f3i n THR 106 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 2f3i n THR 106 Cb 0.00 -0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 2f3i n THR 106 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2f3i n GLU 107 N -3.34 0.87 -0.44 -0.78 1.02 -1.26 -4.96 120.64 111.75 2f3i n GLU 107 Ca 0.00 -2.80 0.07 0.00 -0.02 0.00 0.00 57.16 54.41 2f3i n GLU 107 Cb 0.00 -1.39 0.13 0.00 -0.02 0.00 0.00 31.44 30.16 2f3i n GLU 107 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f3i n ALA 108 N 0.86 2.69 -0.61 0.62 0.00 -1.26 -5.04 120.51 117.77 2f3i n ALA 108 Ca 0.18 -2.60 -0.29 0.00 0.00 0.00 0.00 53.44 50.73 2f3i n ALA 108 Cb 0.62 -0.42 0.22 0.00 0.00 0.00 0.00 19.45 19.87 2f3i n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f3i s ALA 109 N -2.31 0.23 0.11 0.00 0.00 -1.26 -3.50 121.76 115.03 2f3i s ALA 109 Ca 0.30 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.40 2f3i s ALA 109 Cb 0.28 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 20.08 2f3i s ALA 109 CO -0.03 -3.45 0.04 0.25 0.00 0.00 0.00 175.76 172.57 2f3i n THR 110 N -4.67 0.00 -1.90 0.00 -2.24 -0.37 -4.83 114.28 100.27 2f3i n THR 110 Ca 0.06 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.77 2f3i n THR 110 Cb 0.53 0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 2f3i n THR 110 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f3i s ARG 111 N -2.44 4.19 -0.01 -0.78 3.00 -1.26 -4.26 118.95 117.40 2f3i s ARG 111 Ca 0.06 2.46 -0.30 0.00 0.00 0.00 0.00 55.73 57.94 2f3i s ARG 111 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 34.95 31.88 2f3i s ARG 111 CO 0.04 -0.47 1.37 -1.17 0.00 0.00 0.00 175.30 175.07 2f3i s LEU 112 N -1.41 4.31 -0.02 2.53 2.96 0.55 -4.50 118.68 123.10 2f3i s LEU 112 Ca 0.55 2.07 -0.01 0.00 -0.22 0.00 0.00 54.13 56.53 2f3i s LEU 112 Cb -0.45 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.65 2f3i s LEU 112 CO 0.55 -0.70 0.06 -0.44 -1.32 0.00 0.00 176.35 174.50 2f3i s SER 113 N 1.80 5.56 -0.43 3.68 0.01 -1.26 -1.66 113.70 121.40 2f3i s SER 113 Ca 0.63 0.14 0.02 0.00 1.31 0.00 0.00 55.95 58.05 2f3i s SER 113 Cb -0.30 -1.58 0.15 0.00 0.21 0.00 0.00 66.02 64.49 2f3i s SER 113 CO 0.26 0.30 0.29 0.00 0.41 0.00 0.00 173.24 174.50 2f3i s ALA 114 N -1.11 1.68 -0.12 1.44 0.00 0.70 -4.64 121.76 119.71 2f3i s ALA 114 Ca 0.20 -2.45 -0.25 0.00 0.00 0.00 0.00 51.96 49.47 2f3i s ALA 114 Cb -0.12 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 2f3i s ALA 114 CO 0.11 -2.05 0.78 0.71 0.00 0.00 0.00 175.76 175.31 2f3i s TYR 115 N 0.27 3.49 -0.00 0.00 1.51 -1.26 -0.97 117.35 120.38 2f3i s TYR 115 Ca 0.24 1.26 -0.02 0.00 -1.01 0.00 0.00 57.07 57.54 2f3i s TYR 115 Cb -0.12 -2.93 -0.00 0.00 -0.11 0.00 0.00 41.96 38.80 2f3i s TYR 115 CO -0.09 -0.10 0.03 0.08 -1.11 0.00 0.00 175.55 174.37 2f3i s VAL 116 N 1.56 0.04 -0.01 0.71 1.01 -0.31 -0.49 120.40 122.90 2f3i s VAL 116 Ca 0.38 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2f3i s VAL 116 Cb -0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 2f3i s VAL 116 CO 0.15 -0.17 -0.12 -0.55 0.00 0.00 0.00 175.10 174.41 2f3i s SER 117 N -0.50 1.47 -0.25 3.32 0.15 -0.63 -1.40 113.70 115.85 2f3i s SER 117 Ca -0.06 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 2f3i s SER 117 Cb -0.04 -0.20 0.13 0.00 -1.71 0.00 0.00 66.02 64.21 2f3i s SER 117 CO -0.00 0.15 0.34 -0.72 1.20 0.00 0.00 173.24 174.21 2f3i s TYR 118 N -0.23 -0.70 -1.88 3.44 1.13 -0.01 -1.07 117.35 118.03 2f3i s TYR 118 Ca 0.04 0.46 0.00 0.00 -1.41 0.00 0.00 57.07 56.15 2f3i s TYR 118 Cb -0.05 -0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.64 2f3i s TYR 118 CO -0.00 -0.78 0.00 0.41 -2.51 0.00 0.00 175.55 172.66 2f3i n GLY 119 N 5.35 0.83 0.44 5.49 0.00 -1.26 -1.45 105.19 114.58 2f3i n GLY 119 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2f3i n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3i n GLY 120 N -0.63 0.46 3.94 -0.02 0.00 -1.26 -5.07 105.19 102.60 2f3i n GLY 120 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 2f3i n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f3i s LEU 121 N 0.00 4.10 0.03 0.99 1.02 -0.53 -5.04 118.68 119.25 2f3i s LEU 121 Ca 0.00 0.44 -0.06 0.00 0.02 0.00 0.00 54.13 54.53 2f3i s LEU 121 Cb 0.00 -3.26 -0.01 0.00 0.02 0.00 0.00 46.19 42.94 2f3i s LEU 121 CO 0.00 -0.20 0.11 -0.22 0.02 0.00 0.00 176.35 176.06 2f3i s LEU 122 N -3.96 1.74 0.08 1.79 0.20 -0.70 -0.83 118.68 117.00 2f3i s LEU 122 Ca 0.39 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.71 2f3i s LEU 122 Cb -0.10 0.64 -0.03 0.00 -0.43 0.00 0.00 46.19 46.27 2f3i s LEU 122 CO 0.33 -0.49 0.06 0.00 -0.29 0.00 0.00 176.35 175.95 2f3i s MET 123 N -2.43 0.75 -0.11 1.98 0.23 -0.49 -0.24 119.30 118.98 2f3i s MET 123 Ca -0.06 -1.19 -0.03 0.00 -1.03 0.00 0.00 55.69 53.37 2f3i s MET 123 Cb -0.02 0.26 0.04 0.00 -1.53 0.00 0.00 34.83 33.58 2f3i s MET 123 CO -0.04 -0.19 0.05 0.50 -2.03 0.00 0.00 175.02 173.32 2f3i s ARG 124 N -3.93 0.21 0.09 3.16 3.52 0.06 -1.16 118.95 120.90 2f3i s ARG 124 Ca 0.10 0.06 0.07 0.00 -0.13 0.00 0.00 55.73 55.83 2f3i s ARG 124 Cb 0.07 -1.27 -0.03 0.00 -1.56 0.00 0.00 34.95 32.16 2f3i s ARG 124 CO -0.08 -0.48 -0.19 -1.17 -0.81 0.00 0.00 175.30 172.57 2f3i s LEU 125 N 2.07 2.27 0.02 -0.88 2.96 -0.15 -0.41 118.68 124.57 2f3i s LEU 125 Ca 0.03 -0.64 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 2f3i s LEU 125 Cb -0.14 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 2f3i s LEU 125 CO -0.06 0.05 0.00 -1.10 -1.32 0.00 0.00 176.35 173.92 2f3i s GLN 126 N -1.75 0.37 0.05 1.98 -0.21 -0.44 -0.21 119.66 119.44 2f3i s GLN 126 Ca 0.05 -0.63 -0.27 0.00 0.02 0.00 0.00 55.36 54.53 2f3i s GLN 126 Cb -0.10 0.14 0.09 0.00 1.00 0.00 0.00 33.01 34.14 2f3i s GLN 126 CO 0.03 -0.07 1.20 0.20 -2.12 0.00 0.00 175.29 174.53 2f3i s GLY 127 N -1.59 -0.12 0.35 3.09 0.00 -0.66 -1.48 107.32 106.90 2f3i s GLY 127 Ca -0.14 0.06 -0.28 0.00 0.00 0.00 0.00 44.72 44.36 2f3i s GLY 127 CO -0.01 3.37 1.37 1.34 0.00 0.00 0.00 173.10 179.16 2f3i n ASP 128 N -0.97 3.12 -0.02 1.64 -0.08 -1.26 -0.33 116.55 118.65 2f3i n ASP 128 Ca -0.01 1.21 -0.10 0.00 -1.51 0.00 0.00 54.79 54.37 2f3i n ASP 128 Cb 0.60 -1.53 -0.04 0.00 2.34 0.00 0.00 41.12 42.49 2f3i n ASP 128 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f3i h ALA 129 N 2.85 -0.37 0.00 -1.67 0.00 -1.87 -0.41 119.26 117.79 2f3i h ALA 129 Ca -0.47 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2f3i h ALA 129 Cb 1.27 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2f3i h ALA 129 CO 0.64 -0.80 0.00 0.27 0.00 0.00 0.00 179.25 179.36 2f3i n ASN 130 N -5.41 0.21 0.06 0.00 2.04 -1.26 -0.70 115.26 110.20 2f3i n ASN 130 Ca -0.03 0.54 -0.06 0.00 -0.44 0.00 0.00 54.58 54.60 2f3i n ASN 130 Cb 0.33 -0.59 -0.10 0.00 -2.53 0.00 0.00 39.78 36.89 2f3i n ASN 130 CO 0.00 0.00 0.00 -1.13 -0.44 0.00 0.00 177.26 175.69 2f3i h ASN 131 N 0.00 0.00 1.03 0.53 -0.73 -1.53 -3.13 115.58 111.74 2f3i h ASN 131 Ca 0.00 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.97 2f3i h ASN 131 Cb 0.36 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.92 2f3i h ASN 131 CO 0.00 0.91 -0.98 -0.07 -0.37 0.00 0.00 177.43 176.92 2f3i h LEU 132 N 0.00 0.00 2.07 0.34 4.07 0.42 -3.48 115.31 118.72 2f3i h LEU 132 Ca -0.04 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.49 2f3i h LEU 132 Cb 1.73 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.38 2f3i h LEU 132 CO 0.11 0.95 -0.47 1.57 -1.08 0.00 0.00 178.44 179.53 2f3i n HIS 133 N -3.33 -0.54 -3.06 1.13 -0.00 0.12 -4.89 115.22 104.66 2f3i n HIS 133 Ca -0.00 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.21 2f3i n HIS 133 Cb 0.92 -3.76 -0.00 0.00 -0.12 0.00 0.00 29.99 27.04 2f3i n HIS 133 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2f3i s GLY 134 N -2.39 -1.25 0.00 1.57 0.00 -1.26 -5.05 107.32 98.95 2f3i s GLY 134 Ca 0.00 1.25 0.18 0.00 0.00 0.00 0.00 44.72 46.16 2f3i s GLY 134 CO 0.00 3.98 1.44 1.97 0.00 0.00 0.00 173.10 180.49 2f3i n PHE 135 N 4.63 0.79 -2.52 1.90 1.16 -1.26 -4.52 117.46 117.64 2f3i n PHE 135 Ca 0.08 -0.40 -0.36 0.00 -1.87 0.00 0.00 57.45 54.90 2f3i n PHE 135 Cb 0.58 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.42 2f3i n PHE 135 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2f3i s GLU 136 N -1.21 4.08 0.00 3.97 2.02 -1.26 -4.69 118.70 121.62 2f3i s GLU 136 Ca 0.40 1.51 0.07 0.00 0.02 0.00 0.00 54.97 56.97 2f3i s GLU 136 Cb 0.21 -2.47 0.35 0.00 0.10 0.00 0.00 34.13 32.32 2f3i s GLU 136 CO 0.27 -0.21 1.06 1.33 0.02 0.00 0.00 175.26 177.73 2f3i n VAL 137 N -0.22 0.80 -0.88 2.63 0.24 -1.26 -0.96 118.33 118.67 2f3i n VAL 137 Ca 0.06 0.20 0.07 0.00 -2.04 0.00 0.00 64.34 62.62 2f3i n VAL 137 Cb 0.50 -1.09 0.09 0.00 -1.47 0.00 0.00 33.84 31.87 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2f3i n ASP 138 N -1.26 2.02 -0.08 -1.34 2.03 -1.26 -2.99 116.55 113.68 2f3i n ASP 138 Ca 0.03 -2.69 -0.08 0.00 0.52 0.00 0.00 54.79 52.57 2f3i n ASP 138 Cb 0.05 -0.30 -0.04 0.00 -0.72 0.00 0.00 41.12 40.11 2f3i n ASP 138 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2f3i h SER 139 N 0.00 0.00 0.38 1.67 0.02 -1.34 -3.41 113.55 110.87 2f3i h SER 139 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2f3i h SER 139 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2f3i h SER 139 CO 0.00 0.91 0.00 0.54 -1.14 0.00 0.00 176.83 177.14 2f3i n ARG 140 N -4.60 0.35 -0.29 3.45 5.12 -1.25 -2.55 116.66 116.89 2f3i n ARG 140 Ca -0.12 0.07 -0.05 0.00 -1.93 0.00 0.00 57.85 55.82 2f3i n ARG 140 Cb 0.34 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.20 2f3i n ARG 140 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 2f3i h VAL 141 N 0.00 1.25 -2.98 1.55 -1.51 -1.82 -3.40 116.25 109.33 2f3i h VAL 141 Ca 0.00 -0.66 -0.57 0.00 -1.23 0.00 0.00 66.70 64.24 2f3i h VAL 141 Cb 0.19 0.22 -0.04 0.00 -2.13 0.00 0.00 31.29 29.52 2f3i h VAL 141 CO 0.00 0.29 0.96 -0.31 -1.23 0.00 0.00 177.57 177.28 2f3i s TYR 142 N -5.75 2.68 -0.03 5.19 2.02 -1.06 -2.71 117.35 117.69 2f3i s TYR 142 Ca -0.13 0.88 0.02 0.00 -0.37 0.00 0.00 57.07 57.47 2f3i s TYR 142 Cb 0.16 -3.73 0.00 0.00 -0.40 0.00 0.00 41.96 37.98 2f3i s TYR 142 CO 0.82 -1.90 -0.09 -1.17 -1.57 0.00 0.00 175.55 171.64 2f3i s LEU 143 N 4.05 1.78 -0.03 -1.29 0.20 -0.66 -4.42 118.68 118.31 2f3i s LEU 143 Ca 0.58 -0.18 -0.04 0.00 0.69 0.00 0.00 54.13 55.18 2f3i s LEU 143 Cb -0.20 -0.53 0.01 0.00 -0.43 0.00 0.00 46.19 45.04 2f3i s LEU 143 CO 0.20 0.06 0.11 -0.22 -0.29 0.00 0.00 176.35 176.21 2f3i s LEU 144 N 0.21 1.60 0.06 -0.68 0.20 -0.16 -0.68 118.68 119.24 2f3i s LEU 144 Ca -0.03 0.12 0.02 0.00 0.69 0.00 0.00 54.13 54.93 2f3i s LEU 144 Cb -0.08 0.41 -0.03 0.00 -0.43 0.00 0.00 46.19 46.06 2f3i s LEU 144 CO 0.00 -0.10 -0.08 -0.04 -0.29 0.00 0.00 176.35 175.84 2f3i s MET 145 N -0.24 0.60 0.30 1.98 -1.94 0.06 -0.63 119.30 119.43 2f3i s MET 145 Ca -0.03 -0.89 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 2f3i s MET 145 Cb -0.02 -0.29 -0.02 0.00 2.01 0.00 0.00 34.83 36.51 2f3i s MET 145 CO 0.00 0.04 0.34 0.15 -0.01 0.00 0.00 175.02 175.54 2f3i s LYS 146 N -2.09 1.69 1.08 2.03 1.02 -0.69 -0.66 119.74 122.13 2f3i s LYS 146 Ca -0.05 -1.78 -0.13 0.00 0.02 0.00 0.00 55.97 54.03 2f3i s LYS 146 Cb -0.07 0.37 0.19 0.00 -0.52 0.00 0.00 37.83 37.81 2f3i s LYS 146 CO -0.01 -0.66 0.75 0.36 -0.92 0.00 0.00 175.35 174.88 2f3i n LYS 147 N -0.51 -1.58 -0.61 1.68 2.85 -1.26 -0.51 118.16 118.22 2f3i n LYS 147 Ca 0.03 -0.42 -0.31 0.00 -1.05 0.00 0.00 58.31 56.56 2f3i n LYS 147 Cb 0.63 -2.07 0.20 0.00 -0.65 0.00 0.00 35.03 33.13 2f3i n LYS 147 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2f3i n LEU 148 N -3.65 -0.82 -4.31 -5.58 -0.00 -1.24 -3.69 117.00 97.72 2f3i n LEU 148 Ca 0.05 0.00 -0.44 0.00 -0.00 0.00 0.00 56.01 55.62 2f3i n LEU 148 Cb 0.55 -1.20 0.00 0.00 -0.00 0.00 0.00 43.42 42.78 2f3i n LEU 148 CO 0.53 -3.11 1.33 0.00 -0.00 0.00 0.00 177.39 176.14 2f3i n ALA 149 N -4.53 4.30 -1.62 1.47 0.00 -1.26 -4.93 120.51 113.93 2f3i n ALA 149 Ca 0.04 -4.40 0.00 0.00 0.00 0.00 0.00 53.44 49.08 2f3i n ALA 149 Cb 0.56 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.16 2f3i n ALA 149 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84