#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3i h ALA 2 N 0.00 0.93 -2.19 3.04 0.00 -1.19 -3.48 119.26 116.38 2f3i h ALA 2 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2f3i h ALA 2 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2f3i h ALA 2 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2f3i n GLY 3 N 0.69 2.11 3.75 0.00 0.00 -1.25 -4.92 105.19 105.57 2f3i n GLY 3 Ca 0.02 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.93 2.29 0.11 -0.61 -0.00 -1.26 -4.78 121.20 114.02 2f3i s ILE 4 Ca 0.00 0.20 -0.31 0.00 -0.00 0.00 0.00 60.65 60.54 2f3i s ILE 4 Cb 0.00 -3.09 -0.08 0.00 -0.00 0.00 0.00 42.46 39.29 2f3i s ILE 4 CO 0.00 -0.02 1.50 -0.22 -0.00 0.00 0.00 174.94 176.20 2f3i s LEU 5 N -3.87 4.36 -0.16 0.37 2.96 -1.26 -4.38 118.68 116.70 2f3i s LEU 5 Ca 0.76 2.43 -0.14 0.00 -0.22 0.00 0.00 54.13 56.96 2f3i s LEU 5 Cb -0.36 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 42.79 2f3i s LEU 5 CO 0.40 -0.76 0.43 0.12 -1.32 0.00 0.00 176.35 175.22 2f3i s PHE 6 N 1.51 -0.51 -0.24 5.38 2.19 -0.66 -4.98 117.98 120.67 2f3i s PHE 6 Ca 0.68 1.19 -0.14 0.00 0.33 0.00 0.00 56.93 58.99 2f3i s PHE 6 Cb -0.39 0.19 0.07 0.00 -1.31 0.00 0.00 43.02 41.58 2f3i s PHE 6 CO 0.31 -0.26 0.59 -2.00 1.83 0.00 0.00 175.22 175.69 2f3i s GLU 7 N 0.51 0.60 0.00 10.12 2.12 -1.26 -0.50 118.70 130.31 2f3i s GLU 7 Ca -0.02 1.06 -0.27 0.00 0.36 0.00 0.00 54.97 56.10 2f3i s GLU 7 Cb -0.04 0.10 0.06 0.00 0.26 0.00 0.00 34.13 34.51 2f3i s GLU 7 CO -0.03 -0.15 0.61 0.34 -0.54 0.00 0.00 175.26 175.49 2f3i s ASP 8 N 1.48 -0.56 0.18 -1.70 2.15 -0.55 -5.01 116.67 112.65 2f3i s ASP 8 Ca -0.09 0.45 -0.20 0.00 0.43 0.00 0.00 52.55 53.14 2f3i s ASP 8 Cb -0.06 0.52 -0.08 0.00 -0.30 0.00 0.00 42.92 43.00 2f3i s ASP 8 CO -0.16 -0.68 0.69 -0.63 -0.17 0.00 0.00 175.17 174.22 2f3i s ILE 9 N -1.85 4.59 0.08 4.11 1.09 -1.26 -1.30 121.20 126.66 2f3i s ILE 9 Ca -0.08 1.30 0.07 0.00 -1.10 0.00 0.00 60.65 60.85 2f3i s ILE 9 Cb -0.01 -3.91 -0.03 0.00 -1.06 0.00 0.00 42.46 37.46 2f3i s ILE 9 CO 0.04 0.34 -0.20 -0.36 -0.10 0.00 0.00 174.94 174.66 2f3i s PHE 10 N -1.37 1.68 -0.12 3.97 0.40 0.55 -0.94 117.98 122.16 2f3i s PHE 10 Ca 0.38 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 2f3i s PHE 10 Cb -0.18 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.42 2f3i s PHE 10 CO 0.21 0.16 -0.13 0.34 0.70 0.00 0.00 175.22 176.50 2f3i s ASP 11 N -1.71 2.37 0.07 1.36 2.15 0.08 -1.63 116.67 119.36 2f3i s ASP 11 Ca 0.05 -0.40 -0.31 0.00 0.43 0.00 0.00 52.55 52.32 2f3i s ASP 11 Cb -0.10 -1.03 -0.07 0.00 -0.30 0.00 0.00 42.92 41.42 2f3i s ASP 11 CO 0.03 -0.03 1.43 -0.69 -0.17 0.00 0.00 175.17 175.74 2f3i s VAL 12 N 1.25 3.38 -0.11 1.11 1.01 -1.26 -1.23 120.40 124.55 2f3i s VAL 12 Ca -0.02 0.92 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 2f3i s VAL 12 Cb -0.14 -3.59 -0.26 0.00 0.00 0.00 0.00 36.38 32.39 2f3i s VAL 12 CO -0.05 0.04 0.40 0.11 0.00 0.00 0.00 175.10 175.60 2f3i h LYS 13 N 7.31 0.26 -3.03 2.72 1.79 -0.80 -3.48 116.57 121.34 2f3i h LYS 13 Ca -0.41 -0.44 0.04 0.00 -2.18 0.00 0.00 60.65 57.66 2f3i h LYS 13 Cb 1.20 0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 31.94 2f3i h LYS 13 CO 0.89 1.18 0.21 0.34 -1.08 0.00 0.00 179.45 180.99 2f3i s ASP 14 N -7.01 -0.34 -0.00 0.86 2.15 -0.62 -4.98 116.67 106.73 2f3i s ASP 14 Ca -0.21 -0.44 0.01 0.00 0.43 0.00 0.00 52.55 52.34 2f3i s ASP 14 Cb 0.07 0.68 -0.00 0.00 -0.30 0.00 0.00 42.92 43.37 2f3i s ASP 14 CO 0.78 -1.23 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.89 2f3i s ILE 15 N -3.87 0.29 -0.33 4.11 1.09 -1.26 -1.31 121.20 119.92 2f3i s ILE 15 Ca 0.08 -0.15 0.01 0.00 -1.10 0.00 0.00 60.65 59.50 2f3i s ILE 15 Cb -0.04 -0.26 0.15 0.00 -1.06 0.00 0.00 42.46 41.24 2f3i s ILE 15 CO 0.01 0.09 0.33 -0.62 -0.10 0.00 0.00 174.94 174.65 2f3i s ASP 16 N -0.03 1.46 0.00 3.58 2.15 0.46 -4.96 116.67 119.33 2f3i s ASP 16 Ca 0.01 -1.19 0.00 0.00 0.43 0.00 0.00 52.55 51.80 2f3i s ASP 16 Cb -0.02 0.51 0.01 0.00 -0.30 0.00 0.00 42.92 43.12 2f3i s ASP 16 CO -0.00 -0.33 0.19 -2.65 -0.17 0.00 0.00 175.17 172.22 2f3i n PRO 17 N 4.77 0.18 -1.14 4.34 -0.02 -1.26 -1.22 135.00 140.64 2f3i n PRO 17 Ca 0.05 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.22 2f3i n PRO 17 Cb 0.45 -1.01 -0.05 0.00 -0.02 0.00 0.00 33.50 32.87 2f3i n PRO 17 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2f3i n GLU 18 N -0.51 3.10 -1.63 -0.52 -0.58 -1.26 -3.77 120.64 115.47 2f3i n GLU 18 Ca 0.00 -1.84 -0.03 0.00 -0.42 0.00 0.00 57.16 54.87 2f3i n GLU 18 Cb 0.00 -2.59 0.03 0.00 -0.57 0.00 0.00 31.44 28.31 2f3i n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2f3i n GLY 19 N 3.42 0.63 3.01 0.62 0.00 -1.26 -4.73 105.19 106.88 2f3i n GLY 19 Ca 0.66 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 46.29 2f3i n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2f3i n LYS 20 N -0.57 1.29 -0.25 1.61 4.76 -1.25 -3.93 118.16 119.83 2f3i n LYS 20 Ca -0.15 -1.47 0.00 0.00 -2.87 0.00 0.00 58.31 53.82 2f3i n LYS 20 Cb 0.66 -2.63 0.22 0.00 -1.84 0.00 0.00 35.03 31.44 2f3i n LYS 20 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2f3i h LYS 21 N 7.76 1.06 -4.23 1.97 1.79 -1.96 -3.44 116.57 119.52 2f3i h LYS 21 Ca 0.38 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.62 2f3i h LYS 21 Cb 0.46 -0.24 -0.13 0.00 -1.58 0.00 0.00 32.23 30.74 2f3i h LYS 21 CO 1.73 0.70 -0.48 -0.06 -1.08 0.00 0.00 179.45 180.26 2f3i s PHE 22 N -5.91 0.78 0.25 -1.35 0.40 -1.26 -5.02 117.98 105.87 2f3i s PHE 22 Ca -0.11 -1.09 -0.04 0.00 -0.60 0.00 0.00 56.93 55.09 2f3i s PHE 22 Cb 0.18 -0.30 0.38 0.00 0.51 0.00 0.00 43.02 43.79 2f3i s PHE 22 CO 0.79 -0.68 1.85 0.22 0.70 0.00 0.00 175.22 178.10 2f3i h ASP 23 N 2.61 0.88 0.00 1.36 3.58 -1.95 -1.99 116.42 120.91 2f3i h ASP 23 Ca -0.33 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2f3i h ASP 23 Cb 1.23 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2f3i h ASP 23 CO 0.51 0.55 0.00 -2.11 -2.88 0.00 0.00 179.24 175.30 2f3i n ARG 24 N -4.60 0.59 -5.12 0.28 1.85 -1.26 -4.73 116.66 103.66 2f3i n ARG 24 Ca 0.14 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.70 2f3i n ARG 24 Cb 0.21 -1.13 -0.16 0.00 -1.05 0.00 0.00 32.46 30.33 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 1.81 0.11 8.89 1.01 -0.75 -0.38 120.40 129.10 2f3i s VAL 25 Ca 0.07 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 2f3i s VAL 25 Cb 0.03 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2f3i s VAL 25 CO 0.06 0.51 0.22 -0.44 0.00 0.00 0.00 175.10 175.45 2f3i s SER 26 N -0.28 0.09 0.36 3.32 0.01 -0.64 -4.00 113.70 112.56 2f3i s SER 26 Ca 0.02 -0.72 -0.18 0.00 1.31 0.00 0.00 55.95 56.38 2f3i s SER 26 Cb -0.11 0.37 -0.10 0.00 0.21 0.00 0.00 66.02 66.39 2f3i s SER 26 CO 0.01 -0.78 0.82 -0.60 0.41 0.00 0.00 173.24 173.10 2f3i s ARG 27 N -3.89 4.10 0.15 12.44 3.52 -0.36 -1.44 118.95 133.47 2f3i s ARG 27 Ca 0.09 0.86 -0.06 0.00 -0.13 0.00 0.00 55.73 56.49 2f3i s ARG 27 Cb 0.04 -2.34 -0.02 0.00 -1.56 0.00 0.00 34.95 31.07 2f3i s ARG 27 CO -0.07 0.09 0.20 -0.51 -0.81 0.00 0.00 175.30 174.20 2f3i s LEU 28 N -3.03 1.27 -0.03 -0.88 1.02 0.71 -0.40 118.68 117.33 2f3i s LEU 28 Ca 0.57 -0.96 0.01 0.00 0.02 0.00 0.00 54.13 53.77 2f3i s LEU 28 Cb -0.10 0.89 0.01 0.00 0.02 0.00 0.00 46.19 47.01 2f3i s LEU 28 CO 0.16 -0.83 -0.05 -2.28 0.02 0.00 0.00 176.35 173.37 2f3i s HIS 29 N -3.98 0.65 0.23 0.29 5.65 -0.42 -1.64 115.29 116.05 2f3i s HIS 29 Ca 0.18 -0.15 0.01 0.00 0.25 0.00 0.00 55.06 55.35 2f3i s HIS 29 Cb 0.05 -0.54 -0.04 0.00 -1.18 0.00 0.00 32.58 30.87 2f3i s HIS 29 CO -0.00 -0.12 0.16 0.00 -0.65 0.00 0.00 174.74 174.12 2f3i s GLU 31 N -4.02 0.26 0.24 0.00 2.12 -0.37 -1.24 118.70 115.69 2f3i s GLU 31 Ca 0.39 -0.21 -0.30 0.00 0.36 0.00 0.00 54.97 55.22 2f3i s GLU 31 Cb 0.06 0.11 -0.10 0.00 0.26 0.00 0.00 34.13 34.46 2f3i s GLU 31 CO 0.15 -0.05 1.48 -1.54 -0.54 0.00 0.00 175.26 174.76 2f3i s SER 32 N -0.73 6.60 0.28 -1.70 1.04 -0.86 -0.74 113.70 117.59 2f3i s SER 32 Ca -0.08 2.70 0.10 0.00 0.48 0.00 0.00 55.95 59.15 2f3i s SER 32 Cb -0.05 -2.62 0.40 0.00 0.10 0.00 0.00 66.02 63.85 2f3i s SER 32 CO 0.00 -0.75 1.64 -0.08 0.98 0.00 0.00 173.24 175.03 2f3i h GLU 33 N 5.28 0.02 0.00 4.02 4.57 -1.37 -3.36 114.58 123.72 2f3i h GLU 33 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2f3i h GLU 33 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2f3i h GLU 33 CO 0.80 0.59 -1.73 0.43 -1.18 0.00 0.00 179.01 177.92 2f3i n SER 34 N -3.85 0.31 0.00 1.04 7.64 -1.26 -4.98 113.62 112.52 2f3i n SER 34 Ca -0.01 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2f3i n SER 34 Cb 0.59 1.73 0.00 0.00 -1.01 0.00 0.00 64.21 65.52 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 -2.06 0.00 -1.14 1.43 3.72 -1.26 -5.10 117.46 113.06 2f3i n PHE 35 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2f3i n PHE 35 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2f3i n PHE 35 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2f3i n LYS 36 N 0.00 0.00 -2.77 -1.08 2.85 -1.26 -4.99 118.16 110.90 2f3i n LYS 36 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 2f3i n LYS 36 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 2f3i n LYS 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2f3i s MET 37 N 0.00 3.98 -0.11 -1.58 0.23 -1.26 -4.89 119.30 115.68 2f3i s MET 37 Ca 0.00 0.81 0.03 0.00 -1.03 0.00 0.00 55.69 55.50 2f3i s MET 37 Cb 0.00 -2.28 0.01 0.00 -1.53 0.00 0.00 34.83 31.03 2f3i s MET 37 CO 0.00 -0.06 -0.21 0.34 -2.03 0.00 0.00 175.02 173.06 2f3i s ASP 38 N -2.71 2.88 -0.04 -1.18 -1.08 -0.01 -2.04 116.67 112.49 2f3i s ASP 38 Ca 0.57 -0.53 0.05 0.00 -0.52 0.00 0.00 52.55 52.11 2f3i s ASP 38 Cb -0.10 -1.32 -0.01 0.00 -1.46 0.00 0.00 42.92 40.04 2f3i s ASP 38 CO 0.24 0.11 -0.18 -0.22 0.52 0.00 0.00 175.17 175.64 2f3i s LEU 39 N 0.58 1.95 -0.03 -1.34 0.20 -0.37 -1.50 118.68 118.16 2f3i s LEU 39 Ca -0.14 -0.35 0.05 0.00 0.69 0.00 0.00 54.13 54.38 2f3i s LEU 39 Cb -0.17 -0.97 -0.01 0.00 -0.43 0.00 0.00 46.19 44.61 2f3i s LEU 39 CO 0.04 0.17 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.48 2f3i s ILE 40 N -0.07 1.33 0.12 6.68 -1.09 -0.27 -0.92 121.20 126.97 2f3i s ILE 40 Ca -0.01 -0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 57.55 2f3i s ILE 40 Cb -0.11 -1.12 0.04 0.00 -1.58 0.00 0.00 42.46 39.69 2f3i s ILE 40 CO 0.02 0.38 0.42 -1.48 -1.23 0.00 0.00 174.94 173.05 2f3i s LEU 41 N -0.17 0.31 -0.21 2.97 2.34 -0.65 -0.17 118.68 123.10 2f3i s LEU 41 Ca 0.02 -0.25 0.00 0.00 0.06 0.00 0.00 54.13 53.95 2f3i s LEU 41 Cb -0.09 1.90 0.05 0.00 -0.56 0.00 0.00 46.19 47.49 2f3i s LEU 41 CO 0.01 -0.84 -0.06 -0.62 -1.06 0.00 0.00 176.35 173.77 2f3i s ASP 42 N -2.72 3.44 0.09 1.48 2.15 0.37 -0.21 116.67 121.27 2f3i s ASP 42 Ca 0.02 -0.96 -0.08 0.00 0.43 0.00 0.00 52.55 51.96 2f3i s ASP 42 Cb 0.01 -1.09 -0.01 0.00 -0.30 0.00 0.00 42.92 41.54 2f3i s ASP 42 CO -0.11 -0.21 0.17 0.54 -0.17 0.00 0.00 175.17 175.39 2f3i s VAL 43 N 1.48 0.15 0.08 1.11 0.11 -0.52 -1.63 120.40 121.18 2f3i s VAL 43 Ca -0.03 -1.26 -0.31 0.00 -2.93 0.00 0.00 61.98 57.45 2f3i s VAL 43 Cb -0.17 -1.40 -0.08 0.00 -1.53 0.00 0.00 36.38 33.20 2f3i s VAL 43 CO -0.07 -0.66 1.65 0.21 -3.33 0.00 0.00 175.10 172.90 2f3i s ASN 44 N -2.88 6.60 0.00 3.54 3.84 -1.26 -1.62 114.94 123.16 2f3i s ASN 44 Ca 0.06 2.50 0.25 0.00 0.21 0.00 0.00 52.86 55.88 2f3i s ASN 44 Cb 0.05 -2.57 0.41 0.00 -0.55 0.00 0.00 41.25 38.59 2f3i s ASN 44 CO -0.10 -0.89 1.35 2.30 -2.79 0.00 0.00 177.10 176.98 2f3i n ILE 45 N 4.67 0.00 0.36 -5.21 -6.64 0.49 -4.14 119.36 108.89 2f3i n ILE 45 Ca 0.16 -0.23 0.12 0.00 -1.77 0.00 0.00 62.75 61.04 2f3i n ILE 45 Cb 0.40 0.87 0.53 0.00 -1.44 0.00 0.00 39.64 40.00 2f3i n ILE 45 CO 0.00 0.00 0.00 0.06 -1.77 0.00 0.00 176.55 174.84 2f3i h GLN 46 N 2.12 0.00 -0.41 6.28 3.07 -1.93 -0.43 115.11 123.82 2f3i h GLN 46 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.68 2f3i h GLN 46 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.19 2f3i h GLN 46 CO 0.00 0.00 -0.00 0.82 0.09 0.00 0.00 178.83 179.74 2f3i h ILE 47 N 0.00 1.22 -4.09 1.86 2.04 -1.95 -3.45 117.51 113.15 2f3i h ILE 47 Ca 0.00 -0.91 -0.45 0.00 1.00 0.00 0.00 64.86 64.50 2f3i h ILE 47 Cb 0.33 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2f3i h ILE 47 CO 0.00 0.32 0.35 -0.31 0.00 0.00 0.00 178.15 178.51 2f3i s TYR 48 N -4.97 3.27 0.10 1.37 1.51 -0.17 -4.74 117.35 113.71 2f3i s TYR 48 Ca -0.08 1.58 0.26 0.00 -1.01 0.00 0.00 57.07 57.81 2f3i s TYR 48 Cb 0.15 -2.88 0.98 0.00 -0.11 0.00 0.00 41.96 40.10 2f3i s TYR 48 CO 0.79 -0.30 1.85 -1.00 -1.11 0.00 0.00 175.55 175.77 2f3i h PRO 49 N 1.65 0.00 -2.75 -1.71 0.13 -1.86 -3.45 132.00 124.00 2f3i h PRO 49 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2f3i h PRO 49 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 2f3i h PRO 49 CO 0.61 0.17 0.02 0.54 -0.23 0.00 0.00 178.00 179.11 2f3i s VAL 50 N -3.62 0.03 0.54 1.56 0.11 -1.26 -5.05 120.40 112.71 2f3i s VAL 50 Ca 0.01 -0.25 0.23 0.00 -2.93 0.00 0.00 61.98 59.03 2f3i s VAL 50 Cb 0.10 -0.96 0.30 0.00 -1.53 0.00 0.00 36.38 34.29 2f3i s VAL 50 CO 0.62 -0.14 2.18 -0.78 -3.33 0.00 0.00 175.10 173.65 2f3i h ASP 51 N 2.86 0.00 0.24 3.54 3.58 -1.90 -0.83 116.42 123.90 2f3i h ASP 51 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2f3i h ASP 51 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2f3i h ASP 51 CO 0.41 0.02 0.00 -0.11 -2.88 0.00 0.00 179.24 176.68 2f3i n LEU 52 N -4.16 0.58 0.00 2.28 7.94 -1.26 -4.99 117.00 117.39 2f3i n LEU 52 Ca -0.03 0.73 0.00 0.00 -1.11 0.00 0.00 56.01 55.60 2f3i n LEU 52 Cb 0.11 -0.74 0.00 0.00 0.53 0.00 0.00 43.42 43.31 2f3i n LEU 52 CO 0.31 -0.81 0.00 0.61 -1.11 0.00 0.00 177.39 176.39 2f3i n GLY 53 N -0.87 -1.27 3.82 -3.96 0.00 -0.32 -4.99 105.19 97.59 2f3i n GLY 53 Ca -0.00 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.36 2f3i n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3i s ASP 54 N -3.91 -0.21 0.69 1.61 2.15 -1.26 -4.77 116.67 110.97 2f3i s ASP 54 Ca 0.00 -0.56 -0.17 0.00 0.43 0.00 0.00 52.55 52.25 2f3i s ASP 54 Cb 0.00 0.64 0.01 0.00 -0.30 0.00 0.00 42.92 43.27 2f3i s ASP 54 CO 0.00 -1.19 1.27 -0.54 -0.17 0.00 0.00 175.17 174.54 2f3i s LYS 55 N -3.55 2.30 0.32 4.34 1.02 -1.26 -4.49 119.74 118.43 2f3i s LYS 55 Ca 0.12 1.97 -0.01 0.00 0.02 0.00 0.00 55.97 58.07 2f3i s LYS 55 Cb -0.04 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 2f3i s LYS 55 CO 0.05 -1.76 0.41 -0.59 -0.92 0.00 0.00 175.35 172.54 2f3i s PHE 56 N -1.62 1.16 -0.01 3.18 -0.71 -0.65 -4.33 117.98 115.00 2f3i s PHE 56 Ca 0.80 -1.33 0.03 0.00 -1.04 0.00 0.00 56.93 55.38 2f3i s PHE 56 Cb -0.35 -0.23 -0.00 0.00 -1.21 0.00 0.00 43.02 41.23 2f3i s PHE 56 CO 0.43 -1.03 -0.09 0.50 -1.34 0.00 0.00 175.22 173.68 2f3i s ARG 57 N -3.29 0.82 -0.00 1.99 3.52 0.57 -0.33 118.95 122.22 2f3i s ARG 57 Ca 0.33 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.63 2f3i s ARG 57 Cb 0.01 -0.78 -0.04 0.00 -1.56 0.00 0.00 34.95 32.58 2f3i s ARG 57 CO 0.20 0.16 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.34 2f3i s LEU 58 N -0.06 3.48 -0.01 -0.88 1.02 -0.42 -1.28 118.68 120.53 2f3i s LEU 58 Ca 0.01 -0.02 -0.15 0.00 0.02 0.00 0.00 54.13 53.99 2f3i s LEU 58 Cb -0.05 -2.00 0.02 0.00 0.02 0.00 0.00 46.19 44.18 2f3i s LEU 58 CO -0.00 0.28 0.32 0.54 0.02 0.00 0.00 176.35 177.51 2f3i s VAL 59 N -1.08 0.06 -0.06 -1.59 0.11 -0.01 -1.49 120.40 116.34 2f3i s VAL 59 Ca 0.19 -0.47 -0.02 0.00 -2.93 0.00 0.00 61.98 58.75 2f3i s VAL 59 Cb -0.11 -0.65 0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2f3i s VAL 59 CO 0.10 -0.26 0.13 -0.63 -3.33 0.00 0.00 175.10 171.11 2f3i s ILE 60 N -1.40 -0.10 0.00 7.04 1.01 0.35 -1.02 121.20 127.08 2f3i s ILE 60 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.76 2f3i s ILE 60 Cb -0.05 -0.22 0.00 0.00 0.01 0.00 0.00 42.46 42.20 2f3i s ILE 60 CO 0.04 0.10 0.00 0.00 0.00 0.00 0.00 174.94 175.08 2f3i n ALA 61 N 4.51 1.01 -2.99 9.38 0.00 -1.26 -1.66 120.51 129.50 2f3i n ALA 61 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 2f3i n ALA 61 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 2f3i n ALA 61 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2f3i s SER 62 N -2.02 0.14 0.39 0.00 0.01 -1.26 -0.58 113.70 110.39 2f3i s SER 62 Ca 0.00 -0.38 -0.27 0.00 1.31 0.00 0.00 55.95 56.61 2f3i s SER 62 Cb 0.00 0.16 -0.09 0.00 0.21 0.00 0.00 66.02 66.30 2f3i s SER 62 CO 0.00 -0.36 1.28 0.42 0.41 0.00 0.00 173.24 174.99 2f3i s THR 63 N -1.60 2.74 0.26 1.44 -4.23 -1.26 -4.90 115.64 108.10 2f3i s THR 63 Ca -0.14 0.68 0.11 0.00 -1.18 0.00 0.00 61.69 61.16 2f3i s THR 63 Cb -0.08 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.34 2f3i s THR 63 CO -0.00 0.11 1.61 0.25 -0.54 0.00 0.00 174.62 176.04 2f3i h LEU 64 N 2.84 0.00 -0.33 4.79 5.85 -1.96 -3.49 115.31 123.01 2f3i h LEU 64 Ca -0.49 0.00 0.35 0.00 0.84 0.00 0.00 57.88 58.57 2f3i h LEU 64 Cb 1.24 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.16 2f3i h LEU 64 CO 0.63 0.62 -0.66 -1.22 -0.34 0.00 0.00 178.44 177.47 2f3i n TYR 65 N -3.78 -3.36 -1.55 1.25 4.01 -1.26 -4.52 117.16 107.95 2f3i n TYR 65 Ca -0.01 1.72 0.00 0.00 -0.16 0.00 0.00 57.90 59.45 2f3i n TYR 65 Cb 0.62 -3.05 0.00 0.00 -0.31 0.00 0.00 39.34 36.60 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 -4.06 0.00 -0.07 -0.72 -0.00 -1.26 -4.85 120.64 109.68 2f3i n GLU 66 Ca -0.02 -0.72 0.04 0.00 -0.00 0.00 0.00 57.16 56.47 2f3i n GLU 66 Cb 0.61 -0.47 0.05 0.00 -0.00 0.00 0.00 31.44 31.63 2f3i n GLU 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2f3i n ASP 67 N 0.00 1.73 -1.69 -1.84 2.03 -1.26 -4.98 116.55 110.54 2f3i n ASP 67 Ca 0.00 -2.30 -0.14 0.00 0.52 0.00 0.00 54.79 52.87 2f3i n ASP 67 Cb 0.60 -0.18 -0.00 0.00 -0.72 0.00 0.00 41.12 40.82 2f3i n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f3i n GLY 68 N -0.75 -0.19 0.32 0.27 0.00 -1.26 -4.91 105.19 98.67 2f3i n GLY 68 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.18 1.18 -3.64 2.61 2.02 -1.93 -3.40 112.91 109.57 2f3i h THR 69 Ca -0.34 -0.49 -0.51 0.00 0.77 0.00 0.00 66.41 65.85 2f3i h THR 69 Cb 1.24 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2f3i h THR 69 CO 0.39 0.21 0.07 -0.76 0.37 0.00 0.00 175.52 175.80 2f3i s LEU 70 N -9.55 4.16 0.00 2.58 1.43 -1.26 -4.97 118.68 111.07 2f3i s LEU 70 Ca -0.10 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2f3i s LEU 70 Cb 0.17 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2f3i s LEU 70 CO 0.77 -0.11 0.50 -0.67 0.23 0.00 0.00 176.35 177.08 2f3i n ASP 71 N 0.01 0.05 0.00 2.29 2.03 -1.26 -3.66 116.55 116.01 2f3i n ASP 71 Ca 0.01 -1.06 0.00 0.00 0.52 0.00 0.00 54.79 54.26 2f3i n ASP 71 Cb 0.52 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.43 0.00 -0.93 1.67 2.03 -1.26 -5.07 116.55 112.56 2f3i n ASP 72 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 2f3i n ASP 72 Cb 0.01 0.13 -0.04 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.29 1.04 1.52 0.27 0.00 -1.24 -4.77 105.19 100.71 2f3i n GLY 73 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2f3i n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2f3i n GLU 74 N -2.58 0.00 -2.82 1.61 2.13 -1.26 -4.97 120.64 112.75 2f3i n GLU 74 Ca -0.12 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.55 2f3i n GLU 74 Cb 0.41 -0.12 -0.00 0.00 0.27 0.00 0.00 31.44 32.00 2f3i n GLU 74 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2f3i n TYR 75 N -2.26 -1.62 -3.20 4.31 4.01 -1.26 -4.90 117.16 112.23 2f3i n TYR 75 Ca 0.00 0.19 -0.23 0.00 -0.16 0.00 0.00 57.90 57.70 2f3i n TYR 75 Cb 0.00 -2.67 -0.07 0.00 -0.31 0.00 0.00 39.34 36.29 2f3i n TYR 75 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2f3i n ASN 76 N -1.97 -0.27 -0.05 7.72 5.15 -1.26 -4.96 115.26 119.62 2f3i n ASN 76 Ca -0.08 -2.66 0.20 0.00 -0.60 0.00 0.00 54.58 51.45 2f3i n ASN 76 Cb 0.57 -0.41 0.66 0.00 -0.53 0.00 0.00 39.78 40.08 2f3i n ASN 76 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2f3i h PRO 77 N 4.41 0.07 0.00 1.20 0.11 -2.04 -1.85 132.00 133.91 2f3i h PRO 77 Ca 0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2f3i h PRO 77 Cb 0.90 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2f3i h PRO 77 CO 0.42 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.51 2f3i n THR 78 N -4.38 0.00 -0.29 -1.15 -2.24 -1.26 -4.08 114.28 100.88 2f3i n THR 78 Ca 0.12 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.98 2f3i n THR 78 Cb 0.64 -0.33 0.21 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.36 0.63 3.42 3.58 -1.60 -1.85 116.42 120.25 2f3i h ASP 79 Ca 0.00 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2f3i h ASP 79 Cb 0.00 0.38 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2f3i h ASP 79 CO 0.00 -0.23 0.00 -0.78 -2.88 0.00 0.00 179.24 175.35 2f3i h ASP 80 N 0.09 0.00 0.50 2.28 3.58 -1.86 -1.48 116.42 119.53 2f3i h ASP 80 Ca 0.48 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.91 2f3i h ASP 80 Cb 0.91 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.96 2f3i h ASP 80 CO -0.74 0.00 -0.24 0.03 -2.88 0.00 0.00 179.24 175.41 2f3i h ARG 81 N 0.00 -0.64 0.00 0.28 3.08 -1.66 -2.78 114.38 112.66 2f3i h ARG 81 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2f3i h ARG 81 Cb 0.32 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2f3i h ARG 81 CO 0.00 -0.43 0.00 -0.35 -1.07 0.00 0.00 179.97 178.12 2f3i n PRO 82 N -4.31 0.13 -3.75 0.04 -0.04 -1.25 -4.92 135.00 120.90 2f3i n PRO 82 Ca -0.08 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.16 2f3i n PRO 82 Cb 0.26 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 2f3i n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2f3i n SER 83 N -1.43 -1.16 -3.77 3.54 2.88 -0.62 -5.02 113.62 108.04 2f3i n SER 83 Ca 0.09 -0.85 -0.12 0.00 -1.33 0.00 0.00 58.87 56.66 2f3i n SER 83 Cb 0.30 -3.87 -0.08 0.00 -0.75 0.00 0.00 64.21 59.81 2f3i n SER 83 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2f3i s ARG 84 N -6.11 0.75 0.00 -1.46 0.52 -0.85 -4.96 118.95 106.83 2f3i s ARG 84 Ca 0.03 -0.41 0.21 0.00 -0.52 0.00 0.00 55.73 55.04 2f3i s ARG 84 Cb -0.02 0.32 0.09 0.00 0.52 0.00 0.00 34.95 35.87 2f3i s ARG 84 CO 0.83 -0.23 1.11 0.00 0.02 0.00 0.00 175.30 177.03 2f3i n ALA 85 N 0.83 2.91 0.07 2.13 0.00 -1.26 -4.42 120.51 120.76 2f3i n ALA 85 Ca -0.20 -0.64 0.04 0.00 0.00 0.00 0.00 53.44 52.64 2f3i n ALA 85 Cb 0.58 -0.73 0.23 0.00 0.00 0.00 0.00 19.45 19.54 2f3i n ALA 85 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2f3i n ASP 86 N 0.64 0.22 0.06 0.00 5.75 -1.26 -1.76 116.55 120.20 2f3i n ASP 86 Ca 0.11 0.59 0.21 0.00 -0.01 0.00 0.00 54.79 55.68 2f3i n ASP 86 Cb 0.49 -0.61 0.74 0.00 -1.03 0.00 0.00 41.12 40.71 2f3i n ASP 86 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2f3i h GLN 87 N 0.00 0.00 -4.53 0.11 4.20 -1.95 0.13 115.11 113.06 2f3i h GLN 87 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 2f3i h GLN 87 Cb 0.05 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.68 2f3i h GLN 87 CO 0.00 0.00 -0.64 -0.59 -0.67 0.00 0.00 178.83 176.93 2f3i s PHE 88 N -4.72 1.03 -0.83 2.96 -0.71 -0.72 -4.70 117.98 110.28 2f3i s PHE 88 Ca -0.04 -1.27 -0.26 0.00 -1.04 0.00 0.00 56.93 54.32 2f3i s PHE 88 Cb 0.17 -0.55 -0.16 0.00 -1.21 0.00 0.00 43.02 41.27 2f3i s PHE 88 CO 0.60 -0.53 2.37 -0.85 -1.34 0.00 0.00 175.22 175.47 2f3i n GLU 89 N -0.19 0.48 -2.00 1.99 0.00 -1.26 -4.47 120.64 115.19 2f3i n GLU 89 Ca -0.03 -0.95 -0.34 0.00 0.00 0.00 0.00 57.16 55.84 2f3i n GLU 89 Cb 0.65 -3.67 0.03 0.00 0.00 0.00 0.00 31.44 28.44 2f3i n GLU 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 2f3i s TYR 90 N 14.89 2.59 0.15 -1.84 5.04 -0.31 -4.78 117.35 133.08 2f3i s TYR 90 Ca 0.92 1.55 0.09 0.00 -2.44 0.00 0.00 57.07 57.19 2f3i s TYR 90 Cb -0.14 -3.27 -0.04 0.00 0.35 0.00 0.00 41.96 38.86 2f3i s TYR 90 CO 0.11 -1.73 -0.15 0.54 -1.34 0.00 0.00 175.55 172.97 2f3i s VAL 91 N -1.98 2.96 0.05 3.14 0.11 -1.26 -1.30 120.40 122.10 2f3i s VAL 91 Ca 0.71 -1.62 -0.13 0.00 -2.93 0.00 0.00 61.98 58.00 2f3i s VAL 91 Cb -0.23 -2.41 0.02 0.00 -1.53 0.00 0.00 36.38 32.22 2f3i s VAL 91 CO 0.34 -0.01 0.30 -0.32 -3.33 0.00 0.00 175.10 172.08 2f3i s MET 92 N -2.50 0.82 0.01 1.54 1.75 0.31 -4.98 119.30 116.25 2f3i s MET 92 Ca 0.21 -0.53 0.02 0.00 -1.25 0.00 0.00 55.69 54.14 2f3i s MET 92 Cb -0.10 0.35 -0.01 0.00 2.84 0.00 0.00 34.83 37.92 2f3i s MET 92 CO 0.12 -0.26 -0.06 0.71 -0.65 0.00 0.00 175.02 174.88 2f3i s TYR 93 N -2.66 0.49 0.00 4.11 1.51 -1.25 -1.67 117.35 117.88 2f3i s TYR 93 Ca -0.04 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2f3i s TYR 93 Cb -0.00 -0.31 0.00 0.00 -0.11 0.00 0.00 41.96 41.54 2f3i s TYR 93 CO -0.04 -0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.78 2f3i n GLY 94 N 2.52 3.41 2.77 0.71 0.00 -0.50 -3.42 105.19 110.68 2f3i n GLY 94 Ca -0.16 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 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 1.05 0.05 0.32 1.61 2.36 0.00 -4.76 119.74 120.37 2f3i s LYS 95 Ca 0.00 0.38 -0.17 0.00 -2.55 0.00 0.00 55.97 53.63 2f3i s LYS 95 Cb 0.00 -0.70 -0.09 0.00 -1.05 0.00 0.00 37.83 35.98 2f3i s LYS 95 CO 0.00 -0.43 0.78 0.08 1.55 0.00 0.00 175.35 177.33 2f3i s VAL 96 N 2.26 4.59 0.05 4.02 1.01 -0.78 -1.63 120.40 129.91 2f3i s VAL 96 Ca 0.04 1.15 0.02 0.00 0.00 0.00 0.00 61.98 63.19 2f3i s VAL 96 Cb -0.13 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2f3i s VAL 96 CO -0.07 -0.11 -0.07 -0.31 0.00 0.00 0.00 175.10 174.54 2f3i s TYR 97 N -1.90 0.65 0.24 5.22 2.02 0.88 -4.54 117.35 119.92 2f3i s TYR 97 Ca 0.53 -0.57 -0.18 0.00 -0.37 0.00 0.00 57.07 56.48 2f3i s TYR 97 Cb -0.12 -0.39 0.02 0.00 -0.40 0.00 0.00 41.96 41.07 2f3i s TYR 97 CO 0.18 -0.11 0.59 -0.98 -1.57 0.00 0.00 175.55 173.66 2f3i s ARG 98 N -1.90 1.57 0.49 -0.62 3.03 -1.26 -0.61 118.95 119.66 2f3i s ARG 98 Ca -0.08 -0.98 0.02 0.00 2.03 0.00 0.00 55.73 56.72 2f3i s ARG 98 Cb -0.08 0.55 -0.02 0.00 -1.03 0.00 0.00 34.95 34.37 2f3i s ARG 98 CO -0.01 -0.69 0.01 0.96 -1.13 0.00 0.00 175.30 174.45 2f3i s ILE 99 N -3.92 1.21 -1.49 4.99 -4.36 -1.14 -5.00 121.20 111.49 2f3i s ILE 99 Ca 0.13 -2.00 0.12 0.00 -0.26 0.00 0.00 60.65 58.63 2f3i s ILE 99 Cb -0.03 -2.26 0.22 0.00 1.25 0.00 0.00 42.46 41.64 2f3i s ILE 99 CO 0.03 0.00 1.26 -1.84 0.24 0.00 0.00 174.94 174.63 2f3i n GLU 100 N -1.21 0.19 0.00 0.37 0.28 -1.26 -4.62 120.64 114.39 2f3i n GLU 100 Ca -0.17 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2f3i n GLU 100 Cb 0.67 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.04 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 -0.30 0.38 0.00 -1.84 0.00 -1.26 -4.96 105.19 97.21 2f3i n GLY 101 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2f3i n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2f3i n ASP 102 N 0.00 4.50 -3.82 1.61 2.03 -0.67 -1.22 116.55 118.99 2f3i n ASP 102 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 2f3i n ASP 102 Cb 0.00 0.85 0.03 0.00 -0.72 0.00 0.00 41.12 41.28 2f3i n ASP 102 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2f3i n GLU 103 N -1.41 -0.86 0.34 -0.67 2.13 -1.26 -4.86 120.64 114.04 2f3i n GLU 103 Ca 0.00 0.34 -0.17 0.00 0.66 0.00 0.00 57.16 57.99 2f3i n GLU 103 Cb 0.05 -3.51 -0.09 0.00 0.27 0.00 0.00 31.44 28.17 2f3i n GLU 103 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2f3i h THR 104 N -2.10 0.37 0.00 6.31 1.35 -1.96 -3.46 112.91 113.42 2f3i h THR 104 Ca -0.68 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2f3i h THR 104 Cb 1.37 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2f3i h THR 104 CO 0.49 0.01 0.00 -1.20 -0.25 0.00 0.00 175.52 174.57 2f3i n SER 105 N -5.43 0.00 0.00 5.36 7.64 -1.26 -4.98 113.62 114.96 2f3i n SER 105 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2f3i n SER 105 Cb 0.35 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.29 0.00 -0.13 0.44 -2.24 -1.26 -4.97 114.28 104.83 2f3i n THR 106 Ca 0.00 0.00 0.28 0.00 -2.27 0.00 0.00 64.05 62.06 2f3i n THR 106 Cb 0.00 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 68.93 2f3i n THR 106 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2f3i h GLU 107 N 0.00 0.00 0.00 -0.78 5.08 -1.98 -1.70 114.58 115.20 2f3i h GLU 107 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2f3i h GLU 107 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2f3i h GLU 107 CO 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 179.01 177.74 2f3i n ALA 108 N -2.53 1.55 0.30 3.43 0.00 -1.26 -4.86 120.51 117.15 2f3i n ALA 108 Ca 0.17 -0.78 0.03 0.00 0.00 0.00 0.00 53.44 52.87 2f3i n ALA 108 Cb 1.01 -0.28 0.16 0.00 0.00 0.00 0.00 19.45 20.34 2f3i n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f3i n ALA 109 N -0.00 1.50 0.29 0.00 0.00 -0.64 -1.55 120.51 120.11 2f3i n ALA 109 Ca 0.00 -0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.59 2f3i n ALA 109 Cb 0.61 -1.10 0.79 0.00 0.00 0.00 0.00 19.45 19.75 2f3i n ALA 109 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2f3i h THR 110 N 0.00 0.09 -3.63 0.00 1.35 -1.89 -3.31 112.91 105.52 2f3i h THR 110 Ca 0.00 -0.45 -0.50 0.00 -0.55 0.00 0.00 66.41 64.91 2f3i h THR 110 Cb 0.05 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 2f3i h THR 110 CO 0.00 0.03 0.06 -0.13 -0.25 0.00 0.00 175.52 175.23 2f3i s ARG 111 N -3.81 3.83 -0.09 4.72 3.00 -0.60 -4.24 118.95 121.76 2f3i s ARG 111 Ca -0.01 0.45 -0.06 0.00 0.00 0.00 0.00 55.73 56.12 2f3i s ARG 111 Cb 0.10 -2.45 -0.04 0.00 0.00 0.00 0.00 34.95 32.56 2f3i s ARG 111 CO 0.52 0.08 0.15 -1.17 0.00 0.00 0.00 175.30 174.88 2f3i s LEU 112 N -3.47 4.36 -0.01 2.53 2.96 0.41 -1.66 118.68 123.79 2f3i s LEU 112 Ca 0.51 0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.88 2f3i s LEU 112 Cb -0.10 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 2f3i s LEU 112 CO 0.26 0.37 -0.11 -0.44 -1.32 0.00 0.00 176.35 175.11 2f3i s SER 113 N -1.28 1.27 0.04 3.68 0.01 -0.36 -1.75 113.70 115.31 2f3i s SER 113 Ca 0.18 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.27 2f3i s SER 113 Cb -0.12 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 2f3i s SER 113 CO 0.08 0.12 -0.07 0.00 0.41 0.00 0.00 173.24 173.78 2f3i s ALA 114 N -0.19 0.52 -0.02 1.44 0.00 -0.35 -2.86 121.76 120.30 2f3i s ALA 114 Ca 0.03 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.31 2f3i s ALA 114 Cb -0.05 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2f3i s ALA 114 CO -0.00 -0.02 -0.08 0.71 0.00 0.00 0.00 175.76 176.37 2f3i s TYR 115 N -1.30 2.88 -0.09 0.00 1.51 0.22 -0.94 117.35 119.63 2f3i s TYR 115 Ca -0.10 -0.04 -0.04 0.00 -1.01 0.00 0.00 57.07 55.89 2f3i s TYR 115 Cb -0.09 -1.63 0.05 0.00 -0.11 0.00 0.00 41.96 40.17 2f3i s TYR 115 CO 0.00 0.35 0.19 0.54 -1.11 0.00 0.00 175.55 175.52 2f3i s VAL 116 N -0.93 -0.14 -0.12 0.71 0.11 -0.33 -0.08 120.40 119.62 2f3i s VAL 116 Ca 0.15 0.22 -0.07 0.00 -2.93 0.00 0.00 61.98 59.36 2f3i s VAL 116 Cb -0.11 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 2f3i s VAL 116 CO 0.05 0.09 0.13 -0.44 -3.33 0.00 0.00 175.10 171.61 2f3i s SER 117 N 1.59 6.32 -0.47 3.54 0.01 -0.65 -0.86 113.70 123.19 2f3i s SER 117 Ca -0.05 0.45 0.05 0.00 1.31 0.00 0.00 55.95 57.70 2f3i s SER 117 Cb -0.11 -2.04 0.18 0.00 0.21 0.00 0.00 66.02 64.26 2f3i s SER 117 CO -0.07 0.40 0.40 -1.22 0.41 0.00 0.00 173.24 173.16 2f3i n TYR 118 N 2.03 0.06 -1.68 2.43 4.01 0.27 -0.82 117.16 123.46 2f3i n TYR 118 Ca -0.20 -3.55 -0.20 0.00 -0.16 0.00 0.00 57.90 53.80 2f3i n TYR 118 Cb 0.55 0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.52 2f3i n TYR 118 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2f3i n GLY 119 N 2.48 1.59 0.00 2.72 0.00 -1.22 -1.13 105.19 109.64 2f3i n GLY 119 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.60 1.50 3.91 -0.02 0.00 -1.26 -5.11 105.19 103.60 2f3i n GLY 120 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 2.82 0.05 0.99 2.01 -0.28 -5.05 118.68 119.21 2f3i s LEU 121 Ca 0.00 0.74 -0.12 0.00 0.01 0.00 0.00 54.13 54.76 2f3i s LEU 121 Cb 0.00 -3.41 0.01 0.00 0.01 0.00 0.00 46.19 42.81 2f3i s LEU 121 CO 0.00 -1.54 0.25 -0.22 1.01 0.00 0.00 176.35 175.85 2f3i s LEU 122 N -5.32 1.11 0.11 1.79 2.96 -0.65 -0.56 118.68 118.12 2f3i s LEU 122 Ca 0.59 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 54.12 2f3i s LEU 122 Cb -0.11 1.17 -0.00 0.00 0.50 0.00 0.00 46.19 47.75 2f3i s LEU 122 CO 0.48 -0.60 0.22 -0.04 -1.32 0.00 0.00 176.35 175.08 2f3i s MET 123 N -2.65 0.92 -0.05 1.98 -1.94 -0.04 -0.48 119.30 117.04 2f3i s MET 123 Ca -0.04 -0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 52.93 2f3i s MET 123 Cb -0.01 0.36 0.03 0.00 2.01 0.00 0.00 34.83 37.22 2f3i s MET 123 CO -0.04 -0.31 0.01 0.50 -0.01 0.00 0.00 175.02 175.18 2f3i s ARG 124 N -3.88 0.37 -0.04 2.03 3.00 0.76 -1.18 118.95 120.00 2f3i s ARG 124 Ca 0.07 0.16 0.02 0.00 -1.00 0.00 0.00 55.73 54.98 2f3i s ARG 124 Cb 0.04 -0.72 0.01 0.00 0.00 0.00 0.00 34.95 34.29 2f3i s ARG 124 CO -0.09 -0.25 -0.08 -1.17 0.00 0.00 0.00 175.30 173.71 2f3i s LEU 125 N 1.72 1.54 -0.01 -0.88 1.98 -0.12 -1.12 118.68 121.79 2f3i s LEU 125 Ca 0.00 -0.19 0.06 0.00 -2.89 0.00 0.00 54.13 51.11 2f3i s LEU 125 Cb -0.13 -0.58 -0.02 0.00 0.66 0.00 0.00 46.19 46.13 2f3i s LEU 125 CO -0.03 0.00 -0.19 0.00 -1.89 0.00 0.00 176.35 174.23 2f3i s GLN 126 N 0.65 1.56 0.28 1.98 -2.07 -0.56 -1.21 119.66 120.29 2f3i s GLN 126 Ca -0.11 -0.71 -0.19 0.00 -1.82 0.00 0.00 55.36 52.54 2f3i s GLN 126 Cb -0.13 -1.52 0.06 0.00 -1.09 0.00 0.00 33.01 30.33 2f3i s GLN 126 CO 0.01 0.42 0.91 0.20 -1.32 0.00 0.00 175.29 175.51 2f3i s GLY 127 N -0.49 0.21 0.38 2.60 0.00 -0.72 -0.83 107.32 108.48 2f3i s GLY 127 Ca 0.07 -0.51 -0.27 0.00 0.00 0.00 0.00 44.72 44.02 2f3i s GLY 127 CO -0.01 0.99 1.26 1.34 0.00 0.00 0.00 173.10 176.68 2f3i n ASP 128 N -1.26 2.54 -0.25 1.64 -0.08 -1.26 -0.45 116.55 117.42 2f3i n ASP 128 Ca -0.06 1.15 -0.09 0.00 -1.51 0.00 0.00 54.79 54.28 2f3i n ASP 128 Cb 0.60 -1.48 -0.08 0.00 2.34 0.00 0.00 41.12 42.50 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 2.25 -0.50 0.00 -1.67 0.00 -1.86 0.85 119.26 118.34 2f3i h ALA 129 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2f3i h ALA 129 Cb 1.29 1.21 0.00 0.00 0.00 0.00 0.00 17.79 20.29 2f3i h ALA 129 CO 0.61 -0.78 0.00 0.27 0.00 0.00 0.00 179.25 179.34 2f3i n ASN 130 N -4.73 0.23 0.05 0.00 2.04 -1.26 -1.07 115.26 110.52 2f3i n ASN 130 Ca 0.00 0.55 -0.05 0.00 -0.44 0.00 0.00 54.58 54.65 2f3i n ASN 130 Cb 0.22 -0.60 -0.09 0.00 -2.53 0.00 0.00 39.78 36.77 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 0.11 0.53 -0.73 -1.33 -3.23 115.58 110.94 2f3i h ASN 131 Ca 0.00 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 57.93 2f3i h ASN 131 Cb 0.30 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.90 2f3i h ASN 131 CO 0.00 0.85 -0.95 0.25 -0.37 0.00 0.00 177.43 177.21 2f3i h LEU 132 N 0.00 0.76 0.20 0.34 6.46 0.74 -3.47 115.31 120.33 2f3i h LEU 132 Ca -0.09 -0.58 -0.04 0.00 -0.12 0.00 0.00 57.88 57.04 2f3i h LEU 132 Cb 1.73 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 41.41 2f3i h LEU 132 CO 0.09 1.38 -0.04 1.57 -0.62 0.00 0.00 178.44 180.83 2f3i n HIS 133 N -3.83 -0.10 0.07 1.25 -0.00 -0.24 -4.83 115.22 107.54 2f3i n HIS 133 Ca -0.09 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.01 2f3i n HIS 133 Cb 0.83 -1.43 -0.06 0.00 -0.12 0.00 0.00 29.99 29.21 2f3i n HIS 133 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2f3i h GLY 134 N 0.00 -0.27 -3.03 1.57 0.00 -1.92 -3.47 103.07 95.94 2f3i h GLY 134 Ca -0.04 0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 2f3i h GLY 134 CO 0.06 -0.10 -0.09 0.69 0.00 0.00 0.00 176.54 177.10 2f3i n PHE 135 N -4.94 -1.24 -3.64 5.60 3.72 -1.26 -4.73 117.46 110.97 2f3i n PHE 135 Ca -0.07 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.26 2f3i n PHE 135 Cb 0.23 -1.55 -0.07 0.00 -0.94 0.00 0.00 39.48 37.15 2f3i n PHE 135 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2f3i s GLU 136 N -3.53 0.64 0.19 -1.08 0.41 -1.26 -5.00 118.70 109.07 2f3i s GLU 136 Ca 0.00 0.99 0.20 0.00 -0.41 0.00 0.00 54.97 55.75 2f3i s GLU 136 Cb 0.00 0.19 0.86 0.00 -1.78 0.00 0.00 34.13 33.41 2f3i s GLU 136 CO 0.00 -0.12 1.60 1.33 -0.49 0.00 0.00 175.26 177.58 2f3i n VAL 137 N 3.62 0.98 -1.45 2.63 0.24 -1.26 -3.78 118.33 119.31 2f3i n VAL 137 Ca -0.18 0.33 0.02 0.00 -2.04 0.00 0.00 64.34 62.47 2f3i n VAL 137 Cb 0.58 -1.24 0.02 0.00 -1.47 0.00 0.00 33.84 31.72 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 -2.03 0.51 -0.03 -1.34 2.03 -1.26 -1.87 116.55 112.56 2f3i n ASP 138 Ca 0.02 -1.91 -0.02 0.00 0.52 0.00 0.00 54.79 53.40 2f3i n ASP 138 Cb 0.17 -0.17 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 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 -0.01 1.67 0.02 -1.85 -3.41 113.55 109.97 2f3i h SER 139 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2f3i h SER 139 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2f3i h SER 139 CO 0.00 0.27 0.00 -2.11 -1.14 0.00 0.00 176.83 173.85 2f3i n ARG 140 N -3.11 1.03 -0.03 3.45 1.85 -1.26 -2.73 116.66 115.86 2f3i n ARG 140 Ca -0.02 -0.03 0.03 0.00 -1.00 0.00 0.00 57.85 56.82 2f3i n ARG 140 Cb 0.09 -1.21 0.37 0.00 -1.05 0.00 0.00 32.46 30.66 2f3i n ARG 140 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 2f3i h VAL 141 N 0.05 1.14 -3.06 8.89 -1.51 -1.83 -3.37 116.25 116.55 2f3i h VAL 141 Ca 0.00 -0.33 -0.58 0.00 -1.23 0.00 0.00 66.70 64.56 2f3i h VAL 141 Cb 0.22 0.53 -0.06 0.00 -2.13 0.00 0.00 31.29 29.85 2f3i h VAL 141 CO 0.00 0.15 0.82 -0.31 -1.23 0.00 0.00 177.57 177.00 2f3i s TYR 142 N -5.44 3.25 -0.01 5.19 2.02 -1.11 -1.42 117.35 119.85 2f3i s TYR 142 Ca -0.08 1.39 -0.01 0.00 -0.37 0.00 0.00 57.07 58.00 2f3i s TYR 142 Cb 0.17 -3.33 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 2f3i s TYR 142 CO 0.74 -0.68 0.01 -1.17 -1.57 0.00 0.00 175.55 172.89 2f3i s LEU 143 N 3.27 1.95 0.14 -1.29 1.98 -0.67 -4.88 118.68 119.17 2f3i s LEU 143 Ca 0.46 0.02 0.06 0.00 -2.89 0.00 0.00 54.13 51.77 2f3i s LEU 143 Cb -0.16 0.05 -0.04 0.00 0.66 0.00 0.00 46.19 46.70 2f3i s LEU 143 CO 0.08 -0.01 -0.13 -0.76 -1.89 0.00 0.00 176.35 173.63 2f3i s LEU 144 N -0.03 2.45 0.02 -0.68 1.02 -0.18 -0.53 118.68 120.75 2f3i s LEU 144 Ca -0.00 -0.88 -0.12 0.00 0.02 0.00 0.00 54.13 53.14 2f3i s LEU 144 Cb -0.00 -0.52 0.01 0.00 0.02 0.00 0.00 46.19 45.70 2f3i s LEU 144 CO 0.00 -0.19 0.26 0.00 0.02 0.00 0.00 176.35 176.44 2f3i s MET 145 N -3.02 0.70 0.30 1.70 0.23 -0.42 -0.83 119.30 117.96 2f3i s MET 145 Ca 0.12 -0.43 -0.10 0.00 -1.03 0.00 0.00 55.69 54.25 2f3i s MET 145 Cb -0.03 0.30 0.04 0.00 -1.53 0.00 0.00 34.83 33.61 2f3i s MET 145 CO 0.03 -0.21 0.57 0.36 -2.03 0.00 0.00 175.02 173.75 2f3i n LYS 146 N 0.91 0.83 -0.76 3.16 2.85 -0.41 -1.17 118.16 123.56 2f3i n LYS 146 Ca -0.20 -1.81 -0.33 0.00 -1.05 0.00 0.00 58.31 54.92 2f3i n LYS 146 Cb 0.58 2.15 0.13 0.00 -0.65 0.00 0.00 35.03 37.24 2f3i n LYS 146 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2f3i n LYS 147 N -0.42 -0.51 -0.63 -1.58 2.85 0.44 -0.31 118.16 117.99 2f3i n LYS 147 Ca -0.06 -0.11 -0.31 0.00 -1.05 0.00 0.00 58.31 56.78 2f3i n LYS 147 Cb 0.46 -1.88 0.19 0.00 -0.65 0.00 0.00 35.03 33.15 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 -1.65 -1.09 -4.46 -5.58 -0.00 -1.26 -4.11 117.00 98.85 2f3i n LEU 148 Ca 0.06 -0.00 -0.44 0.00 -0.00 0.00 0.00 56.01 55.63 2f3i n LEU 148 Cb 0.55 -1.15 -0.02 0.00 -0.00 0.00 0.00 43.42 42.79 2f3i n LEU 148 CO 0.51 -3.16 1.04 0.00 -0.00 0.00 0.00 177.39 175.78 2f3i s ALA 149 N -2.36 3.35 0.00 1.47 0.00 -1.26 -4.98 121.76 117.97 2f3i s ALA 149 Ca 0.61 -2.76 0.00 0.00 0.00 0.00 0.00 51.96 49.81 2f3i s ALA 149 Cb -0.19 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.84 2f3i s ALA 149 CO 0.65 -3.02 0.00 0.34 0.00 0.00 0.00 175.76 173.73