#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 0.81 0.00 3.17 0.00 -1.98 -3.48 119.26 117.77 2f3i h ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2f3i h ALA 2 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2f3i h ALA 2 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2f3i n GLY 3 N -1.27 -1.82 3.05 0.00 0.00 -1.26 -4.76 105.19 99.13 2f3i n GLY 3 Ca 0.06 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.65 0.48 0.34 -0.61 -4.36 -1.26 -4.79 121.20 108.36 2f3i s ILE 4 Ca 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 2f3i s ILE 4 Cb 0.00 -0.57 0.00 0.00 1.25 0.00 0.00 42.46 43.14 2f3i s ILE 4 CO 0.00 -0.41 0.00 -0.11 0.24 0.00 0.00 174.94 174.66 2f3i n LEU 5 N 1.46 -2.74 -3.74 0.37 0.00 -1.26 -4.87 117.00 106.21 2f3i n LEU 5 Ca -0.23 0.65 -0.12 0.00 0.00 0.00 0.00 56.01 56.31 2f3i n LEU 5 Cb 0.55 2.67 -0.11 0.00 0.00 0.00 0.00 43.42 46.53 2f3i n LEU 5 CO 0.21 -0.03 -0.01 0.12 0.00 0.00 0.00 177.39 177.68 2f3i s PHE 6 N -2.00 -0.41 -0.07 1.96 2.19 -1.26 -5.03 117.98 113.36 2f3i s PHE 6 Ca 0.00 0.96 -0.12 0.00 0.33 0.00 0.00 56.93 58.10 2f3i s PHE 6 Cb 0.00 0.14 0.03 0.00 -1.31 0.00 0.00 43.02 41.88 2f3i s PHE 6 CO 0.00 -0.22 0.30 -2.00 1.83 0.00 0.00 175.22 175.13 2f3i s GLU 7 N 0.61 0.50 0.15 10.12 2.12 -1.26 -2.59 118.70 128.35 2f3i s GLU 7 Ca -0.04 0.12 -0.21 0.00 0.36 0.00 0.00 54.97 55.21 2f3i s GLU 7 Cb -0.05 0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.63 2f3i s GLU 7 CO -0.04 -0.11 0.53 0.34 -0.54 0.00 0.00 175.26 175.44 2f3i s ASP 8 N -0.55 -0.45 0.49 -1.70 2.15 -0.62 -5.02 116.67 110.98 2f3i s ASP 8 Ca -0.07 -0.11 -0.18 0.00 0.43 0.00 0.00 52.55 52.63 2f3i s ASP 8 Cb -0.04 0.55 -0.09 0.00 -0.30 0.00 0.00 42.92 43.05 2f3i s ASP 8 CO 0.02 -0.92 0.98 -0.63 -0.17 0.00 0.00 175.17 174.45 2f3i s ILE 9 N -3.75 4.47 -0.01 4.11 1.09 -1.26 -1.12 121.20 124.73 2f3i s ILE 9 Ca 0.02 1.28 0.02 0.00 -1.10 0.00 0.00 60.65 60.86 2f3i s ILE 9 Cb 0.00 -3.68 -0.00 0.00 -1.06 0.00 0.00 42.46 37.72 2f3i s ILE 9 CO -0.12 -0.59 -0.06 -0.36 -0.10 0.00 0.00 174.94 173.71 2f3i s PHE 10 N -2.50 0.58 -0.23 3.97 0.40 0.46 -0.73 117.98 119.93 2f3i s PHE 10 Ca 0.60 -0.11 -0.07 0.00 -0.60 0.00 0.00 56.93 56.74 2f3i s PHE 10 Cb -0.10 -0.40 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 2f3i s PHE 10 CO 0.27 -0.03 0.07 0.34 0.70 0.00 0.00 175.22 176.56 2f3i s ASP 11 N 0.01 5.25 -0.19 1.36 2.15 -0.02 -1.43 116.67 123.80 2f3i s ASP 11 Ca 0.00 -0.13 -0.29 0.00 0.43 0.00 0.00 52.55 52.56 2f3i s ASP 11 Cb -0.04 -1.93 -0.03 0.00 -0.30 0.00 0.00 42.92 40.62 2f3i s ASP 11 CO -0.00 0.03 1.51 -0.69 -0.17 0.00 0.00 175.17 175.84 2f3i s VAL 12 N 1.25 3.85 0.00 1.11 1.01 -1.26 -1.42 120.40 124.95 2f3i s VAL 12 Ca 0.05 0.99 -0.17 0.00 0.00 0.00 0.00 61.98 62.85 2f3i s VAL 12 Cb -0.15 -3.78 -0.34 0.00 0.00 0.00 0.00 36.38 32.11 2f3i s VAL 12 CO 0.03 -0.24 0.94 0.11 0.00 0.00 0.00 175.10 175.94 2f3i h LYS 13 N 9.80 0.48 -3.24 2.72 1.79 -0.68 -3.47 116.57 123.97 2f3i h LYS 13 Ca -0.32 -0.82 0.02 0.00 -2.18 0.00 0.00 60.65 57.35 2f3i h LYS 13 Cb 1.14 0.31 -0.07 0.00 -1.58 0.00 0.00 32.23 32.03 2f3i h LYS 13 CO 0.99 1.39 0.10 0.34 -1.08 0.00 0.00 179.45 181.19 2f3i s ASP 14 N -7.44 -0.21 0.02 0.86 2.15 -0.69 -5.00 116.67 106.36 2f3i s ASP 14 Ca -0.11 -0.68 0.02 0.00 0.43 0.00 0.00 52.55 52.21 2f3i s ASP 14 Cb 0.03 0.67 -0.01 0.00 -0.30 0.00 0.00 42.92 43.31 2f3i s ASP 14 CO 0.91 -1.25 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.96 2f3i s ILE 15 N -3.94 0.56 -0.36 4.11 1.09 -1.26 -1.09 121.20 120.31 2f3i s ILE 15 Ca 0.14 -0.69 0.01 0.00 -1.10 0.00 0.00 60.65 59.02 2f3i s ILE 15 Cb -0.04 -0.55 0.15 0.00 -1.06 0.00 0.00 42.46 40.96 2f3i s ILE 15 CO 0.06 -0.11 0.26 -0.62 -0.10 0.00 0.00 174.94 174.44 2f3i s ASP 16 N -0.87 2.40 -0.71 3.58 2.15 0.66 -4.96 116.67 118.93 2f3i s ASP 16 Ca -0.03 -2.13 -0.26 0.00 0.43 0.00 0.00 52.55 50.56 2f3i s ASP 16 Cb -0.06 -0.17 0.04 0.00 -0.30 0.00 0.00 42.92 42.43 2f3i s ASP 16 CO 0.00 -0.28 1.22 -2.16 -0.17 0.00 0.00 175.17 173.78 2f3i s PRO 17 N 1.06 3.22 0.34 4.34 0.04 -1.26 -1.58 135.00 141.17 2f3i s PRO 17 Ca 0.19 -0.26 0.03 0.00 0.04 0.00 0.00 61.00 61.00 2f3i s PRO 17 Cb -0.19 -4.16 0.63 0.00 0.04 0.00 0.00 34.50 30.81 2f3i s PRO 17 CO -0.01 -2.03 1.95 0.93 0.04 0.00 0.00 177.00 177.87 2f3i h GLU 18 N 9.89 0.69 0.00 4.56 5.08 -1.95 -3.42 114.58 129.44 2f3i h GLU 18 Ca -0.28 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2f3i h GLU 18 Cb 1.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2f3i h GLU 18 CO 1.25 0.55 0.00 0.41 -1.00 0.00 0.00 179.01 180.22 2f3i n GLY 19 N -1.19 0.00 3.64 -3.84 0.00 -1.26 -5.11 105.19 97.42 2f3i n GLY 19 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 3.75 0.45 1.61 -0.14 -1.26 -4.88 119.74 119.27 2f3i s LYS 20 Ca 0.00 2.29 0.16 0.00 -1.36 0.00 0.00 55.97 57.06 2f3i s LYS 20 Cb 0.00 -4.22 1.09 0.00 -1.68 0.00 0.00 37.83 33.02 2f3i s LYS 20 CO 0.00 -1.39 1.96 -0.22 -0.76 0.00 0.00 175.35 174.94 2f3i h LYS 21 N 12.14 0.34 -3.69 1.68 1.63 -2.00 -3.31 116.57 123.37 2f3i h LYS 21 Ca -0.44 -0.02 -0.61 0.00 -0.85 0.00 0.00 60.65 58.72 2f3i h LYS 21 Cb 1.23 -0.08 -0.40 0.00 -0.60 0.00 0.00 32.23 32.38 2f3i h LYS 21 CO 0.95 0.22 -0.73 -0.06 -3.45 0.00 0.00 179.45 176.39 2f3i s PHE 22 N -5.34 2.44 -0.27 1.91 0.08 -1.26 -5.01 117.98 110.53 2f3i s PHE 22 Ca -0.07 -2.37 0.23 0.00 0.12 0.00 0.00 56.93 54.84 2f3i s PHE 22 Cb 0.20 -2.17 1.14 0.00 -0.57 0.00 0.00 43.02 41.62 2f3i s PHE 22 CO 0.75 -0.86 1.71 0.38 -0.10 0.00 0.00 175.22 177.10 2f3i h ASP 23 N 7.49 0.00 0.01 1.36 2.03 -1.99 -0.65 116.42 124.67 2f3i h ASP 23 Ca -0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2f3i h ASP 23 Cb 0.98 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.48 2f3i h ASP 23 CO 0.51 0.00 0.00 -2.11 -1.03 0.00 0.00 179.24 176.61 2f3i n ARG 24 N -2.30 0.42 -5.25 4.15 -4.01 -1.26 -4.49 116.66 103.92 2f3i n ARG 24 Ca -0.00 0.01 -0.31 0.00 -1.04 0.00 0.00 57.85 56.51 2f3i n ARG 24 Cb 0.11 -1.50 -0.16 0.00 -3.04 0.00 0.00 32.46 27.87 2f3i n ARG 24 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2f3i s VAL 25 N -2.02 1.99 0.14 8.89 1.01 -0.25 -0.46 120.40 129.69 2f3i s VAL 25 Ca 0.20 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 2f3i s VAL 25 Cb 0.09 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.86 2f3i s VAL 25 CO 0.16 0.56 0.46 -0.44 0.00 0.00 0.00 175.10 175.84 2f3i s SER 26 N -0.45 -0.31 0.26 3.32 0.01 -0.40 -4.87 113.70 111.26 2f3i s SER 26 Ca 0.05 -0.27 -0.23 0.00 1.31 0.00 0.00 55.95 56.82 2f3i s SER 26 Cb -0.11 0.52 -0.09 0.00 0.21 0.00 0.00 66.02 66.55 2f3i s SER 26 CO 0.00 -0.91 0.81 -0.60 0.41 0.00 0.00 173.24 172.96 2f3i s ARG 27 N -3.80 4.41 0.15 12.44 3.52 -0.61 -1.37 118.95 133.69 2f3i s ARG 27 Ca 0.03 1.07 0.06 0.00 -0.13 0.00 0.00 55.73 56.77 2f3i s ARG 27 Cb 0.01 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 2f3i s ARG 27 CO -0.11 0.36 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.10 2f3i s LEU 28 N -1.94 2.47 -0.05 -0.88 1.02 0.71 -0.24 118.68 119.77 2f3i s LEU 28 Ca 0.45 -0.91 0.02 0.00 0.02 0.00 0.00 54.13 53.71 2f3i s LEU 28 Cb -0.18 -0.53 0.01 0.00 0.02 0.00 0.00 46.19 45.52 2f3i s LEU 28 CO 0.22 -0.20 -0.10 -2.28 0.02 0.00 0.00 176.35 174.02 2f3i s HIS 29 N -2.63 1.23 0.18 0.29 5.65 -0.25 -1.50 115.29 118.26 2f3i s HIS 29 Ca 0.14 -0.42 -0.03 0.00 0.25 0.00 0.00 55.06 55.00 2f3i s HIS 29 Cb -0.02 -0.93 -0.03 0.00 -1.18 0.00 0.00 32.58 30.42 2f3i s HIS 29 CO 0.03 -0.23 0.16 0.00 -0.65 0.00 0.00 174.74 174.05 2f3i s GLU 31 N -4.10 0.80 0.40 0.00 -1.05 -0.51 -1.49 118.70 112.75 2f3i s GLU 31 Ca 0.32 -1.15 -0.25 0.00 -0.15 0.00 0.00 54.97 53.73 2f3i s GLU 31 Cb 0.06 -0.40 -0.08 0.00 -0.44 0.00 0.00 34.13 33.27 2f3i s GLU 31 CO 0.08 0.05 1.20 -1.54 0.95 0.00 0.00 175.26 176.00 2f3i s SER 32 N -2.50 6.45 0.17 0.83 1.04 -1.22 -0.84 113.70 117.63 2f3i s SER 32 Ca 0.05 2.42 -0.05 0.00 0.48 0.00 0.00 55.95 58.85 2f3i s SER 32 Cb -0.01 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.54 2f3i s SER 32 CO -0.01 -0.73 1.46 -0.08 0.98 0.00 0.00 173.24 174.86 2f3i h GLU 33 N 2.62 0.60 0.00 4.02 4.57 -1.28 -3.38 114.58 121.73 2f3i h GLU 33 Ca -0.49 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.29 2f3i h GLU 33 Cb 1.24 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2f3i h GLU 33 CO 0.62 1.02 -0.54 0.43 -1.18 0.00 0.00 179.01 179.37 2f3i n SER 34 N -3.94 0.65 0.00 1.04 7.64 -1.26 -5.01 113.62 112.74 2f3i n SER 34 Ca -0.04 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.18 2f3i n SER 34 Cb 0.64 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.88 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 -1.28 0.00 -1.29 1.43 3.72 -1.26 -5.10 117.46 113.68 2f3i n PHE 35 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2f3i n PHE 35 Cb 0.16 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 -2.00 -1.08 2.85 -1.26 -4.99 118.16 111.68 2f3i n LYS 36 Ca 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 2f3i n LYS 36 Cb 0.00 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.41 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2f3i s MET 37 N 0.00 2.97 -0.20 -1.58 -1.94 -1.26 -4.73 119.30 112.56 2f3i s MET 37 Ca 0.00 1.77 0.01 0.00 -1.71 0.00 0.00 55.69 55.76 2f3i s MET 37 Cb 0.00 -1.93 0.05 0.00 2.01 0.00 0.00 34.83 34.95 2f3i s MET 37 CO 0.00 -1.20 -0.09 0.34 -0.01 0.00 0.00 175.02 174.06 2f3i s ASP 38 N -1.69 3.43 0.05 3.03 2.15 -0.57 -3.40 116.67 119.66 2f3i s ASP 38 Ca 0.76 -0.92 0.07 0.00 0.43 0.00 0.00 52.55 52.90 2f3i s ASP 38 Cb -0.29 -1.20 -0.03 0.00 -0.30 0.00 0.00 42.92 41.10 2f3i s ASP 38 CO 0.33 -0.16 -0.21 -0.22 -0.17 0.00 0.00 175.17 174.74 2f3i s LEU 39 N 1.41 2.18 0.01 -1.34 2.96 -0.56 -1.41 118.68 121.93 2f3i s LEU 39 Ca -0.02 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2f3i s LEU 39 Cb -0.17 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 2f3i s LEU 39 CO -0.08 0.15 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.36 2f3i s ILE 40 N -0.83 0.93 -0.23 6.68 -1.09 0.18 -1.00 121.20 125.84 2f3i s ILE 40 Ca 0.07 -0.66 -0.16 0.00 -2.23 0.00 0.00 60.65 57.67 2f3i s ILE 40 Cb -0.09 -0.81 0.07 0.00 -1.58 0.00 0.00 42.46 40.05 2f3i s ILE 40 CO 0.02 0.14 0.58 -1.48 -1.23 0.00 0.00 174.94 172.97 2f3i s LEU 41 N -0.60 -0.51 -0.51 2.97 2.34 -0.56 -0.81 118.68 121.00 2f3i s LEU 41 Ca 0.03 1.25 -0.17 0.00 0.06 0.00 0.00 54.13 55.29 2f3i s LEU 41 Cb -0.06 2.00 0.08 0.00 -0.56 0.00 0.00 46.19 47.65 2f3i s LEU 41 CO 0.00 -0.22 0.54 -0.62 -1.06 0.00 0.00 176.35 175.00 2f3i s ASP 42 N 1.17 6.19 0.13 1.48 2.15 0.43 -0.20 116.67 128.01 2f3i s ASP 42 Ca -0.07 -1.24 0.06 0.00 0.43 0.00 0.00 52.55 51.74 2f3i s ASP 42 Cb -0.06 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.28 2f3i s ASP 42 CO -0.12 -0.84 -0.15 0.54 -0.17 0.00 0.00 175.17 174.44 2f3i s VAL 43 N 2.17 1.42 -0.71 1.11 0.11 -0.47 -1.63 120.40 122.40 2f3i s VAL 43 Ca 0.09 -1.73 -0.26 0.00 -2.93 0.00 0.00 61.98 57.16 2f3i s VAL 43 Cb -0.23 -1.57 -0.04 0.00 -1.53 0.00 0.00 36.38 33.01 2f3i s VAL 43 CO 0.08 -0.38 1.96 0.21 -3.33 0.00 0.00 175.10 173.64 2f3i s ASN 44 N -2.44 5.10 0.00 3.54 2.47 -1.26 -1.28 114.94 121.08 2f3i s ASN 44 Ca 0.09 0.02 0.24 0.00 0.42 0.00 0.00 52.86 53.64 2f3i s ASN 44 Cb -0.05 -2.54 1.44 0.00 -1.45 0.00 0.00 41.25 38.64 2f3i s ASN 44 CO 0.04 -2.61 1.81 2.30 -3.72 0.00 0.00 177.10 174.91 2f3i n ILE 45 N 7.57 0.00 0.63 -5.21 -6.64 0.39 -3.62 119.36 112.47 2f3i n ILE 45 Ca 0.30 0.00 0.06 0.00 -1.77 0.00 0.00 62.75 61.34 2f3i n ILE 45 Cb 0.50 -0.59 0.32 0.00 -1.44 0.00 0.00 39.64 38.43 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 -0.98 0.22 0.01 6.28 10.64 -1.25 -0.58 117.38 131.71 2f3i n GLN 46 Ca 0.18 0.14 0.02 0.00 -1.83 0.00 0.00 57.00 55.51 2f3i n GLN 46 Cb 0.08 -1.50 0.36 0.00 -0.86 0.00 0.00 30.24 28.32 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 1.15 -3.25 -0.39 2.04 -1.94 -3.41 117.51 111.72 2f3i h ILE 47 Ca 0.00 -0.51 -0.55 0.00 1.00 0.00 0.00 64.86 64.80 2f3i h ILE 47 Cb 0.09 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2f3i h ILE 47 CO 0.00 0.19 0.54 -0.31 0.00 0.00 0.00 178.15 178.57 2f3i s TYR 48 N -5.20 3.47 -0.04 1.37 1.51 0.25 -4.70 117.35 114.01 2f3i s TYR 48 Ca -0.08 1.48 -0.25 0.00 -1.01 0.00 0.00 57.07 57.21 2f3i s TYR 48 Cb 0.16 -3.27 -0.20 0.00 -0.11 0.00 0.00 41.96 38.55 2f3i s TYR 48 CO 0.75 -0.61 1.14 -1.00 -1.11 0.00 0.00 175.55 174.71 2f3i h PRO 49 N 7.04 -0.07 0.00 -1.71 0.13 -1.85 -3.43 132.00 132.11 2f3i h PRO 49 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2f3i h PRO 49 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2f3i h PRO 49 CO 0.82 0.44 0.00 1.33 -0.23 0.00 0.00 178.00 180.36 2f3i n VAL 50 N -4.87 0.00 -3.62 1.56 0.24 -1.26 -5.09 118.33 105.30 2f3i n VAL 50 Ca -0.09 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 2f3i n VAL 50 Cb 0.27 0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 33.12 2f3i n VAL 50 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2f3i s ASP 51 N 0.00 -0.41 0.00 -1.34 2.15 -1.26 -5.08 116.67 110.73 2f3i s ASP 51 Ca 0.00 0.26 0.10 0.00 0.43 0.00 0.00 52.55 53.34 2f3i s ASP 51 Cb 0.00 0.45 0.03 0.00 -0.30 0.00 0.00 42.92 43.10 2f3i s ASP 51 CO 0.00 -0.62 0.70 0.18 -0.17 0.00 0.00 175.17 175.26 2f3i n LEU 52 N 0.75 1.43 -2.45 -1.34 4.77 -1.26 -4.62 117.00 114.28 2f3i n LEU 52 Ca -0.19 -0.84 -0.24 0.00 -0.03 0.00 0.00 56.01 54.71 2f3i n LEU 52 Cb 0.58 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 2f3i n LEU 52 CO 0.21 0.28 1.72 0.61 -1.33 0.00 0.00 177.39 178.88 2f3i n GLY 53 N 0.80 4.01 3.28 -0.72 0.00 -1.26 -4.86 105.19 106.44 2f3i n GLY 53 Ca 0.05 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 0.91 0.13 0.46 1.61 2.15 -1.26 -5.09 116.67 115.58 2f3i s ASP 54 Ca 0.61 -1.07 0.01 0.00 0.43 0.00 0.00 52.55 52.53 2f3i s ASP 54 Cb 0.34 0.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.37 2f3i s ASP 54 CO -0.14 -0.86 0.68 -0.54 -0.17 0.00 0.00 175.17 174.14 2f3i s LYS 55 N -4.03 2.98 0.31 4.34 1.02 -1.26 -4.16 119.74 118.95 2f3i s LYS 55 Ca 0.24 -0.55 0.07 0.00 0.02 0.00 0.00 55.97 55.75 2f3i s LYS 55 Cb 0.05 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 2f3i s LYS 55 CO 0.04 -0.34 0.26 1.97 -0.92 0.00 0.00 175.35 176.36 2f3i n PHE 56 N -2.11 -0.73 -4.11 3.18 -1.74 -0.52 -3.75 117.46 107.69 2f3i n PHE 56 Ca 0.02 -2.64 -0.15 0.00 -0.56 0.00 0.00 57.45 54.13 2f3i n PHE 56 Cb 0.58 0.27 -0.14 0.00 1.52 0.00 0.00 39.48 41.71 2f3i n PHE 56 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2f3i s ARG 57 N -3.28 0.40 0.01 3.97 3.52 0.33 -0.41 118.95 123.49 2f3i s ARG 57 Ca 0.37 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.68 2f3i s ARG 57 Cb 0.02 -0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.06 2f3i s ARG 57 CO 0.26 0.09 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.64 2f3i s LEU 58 N -0.44 2.10 0.03 -0.88 0.20 -0.28 -1.09 118.68 118.32 2f3i s LEU 58 Ca -0.01 -0.22 -0.01 0.00 0.69 0.00 0.00 54.13 54.57 2f3i s LEU 58 Cb -0.04 -0.03 -0.02 0.00 -0.43 0.00 0.00 46.19 45.67 2f3i s LEU 58 CO -0.00 -0.10 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.26 2f3i s VAL 59 N -0.60 0.14 -0.10 1.68 1.01 -0.04 -1.59 120.40 120.91 2f3i s VAL 59 Ca -0.06 -1.13 0.14 0.00 0.00 0.00 0.00 61.98 60.94 2f3i s VAL 59 Cb -0.04 -0.64 0.30 0.00 0.00 0.00 0.00 36.38 35.99 2f3i s VAL 59 CO -0.00 -0.62 1.14 2.30 0.00 0.00 0.00 175.10 177.92 2f3i n ILE 60 N 1.14 1.15 -2.06 2.22 -5.35 -1.07 -1.13 119.36 114.26 2f3i n ILE 60 Ca -0.21 -1.78 -0.36 0.00 -0.27 0.00 0.00 62.75 60.14 2f3i n ILE 60 Cb 0.57 0.20 0.03 0.00 -1.74 0.00 0.00 39.64 38.70 2f3i n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2f3i s ALA 61 N -1.71 2.59 0.64 -1.28 0.00 -1.26 -4.77 121.76 115.97 2f3i s ALA 61 Ca 0.27 0.98 -0.18 0.00 0.00 0.00 0.00 51.96 53.04 2f3i s ALA 61 Cb 0.27 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 2f3i s ALA 61 CO -0.05 -1.08 1.06 0.43 0.00 0.00 0.00 175.76 176.12 2f3i n SER 62 N -1.49 1.10 -4.06 0.00 7.64 -1.26 -4.46 113.62 111.09 2f3i n SER 62 Ca 0.13 0.78 -0.08 0.00 1.01 0.00 0.00 58.87 60.71 2f3i n SER 62 Cb 0.50 -1.44 -0.10 0.00 -1.01 0.00 0.00 64.21 62.15 2f3i n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2f3i s THR 63 N -1.53 0.25 0.40 0.44 2.01 -1.26 -4.31 115.64 111.64 2f3i s THR 63 Ca 0.78 -1.50 0.40 0.00 0.31 0.00 0.00 61.69 61.68 2f3i s THR 63 Cb -0.39 -1.10 0.42 0.00 0.01 0.00 0.00 72.50 71.45 2f3i s THR 63 CO 0.45 -0.80 2.19 0.25 -0.69 0.00 0.00 174.62 176.02 2f3i h LEU 64 N 3.67 0.00 -9.96 4.42 5.85 -1.97 -3.46 115.31 113.86 2f3i h LEU 64 Ca -0.34 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.82 2f3i h LEU 64 Cb 1.17 0.00 0.17 0.00 0.37 0.00 0.00 40.66 42.36 2f3i h LEU 64 CO 0.57 0.00 0.24 -1.22 -0.34 0.00 0.00 178.44 177.68 2f3i n TYR 65 N -3.08 1.11 -4.19 1.25 4.01 -1.26 -5.04 117.16 109.95 2f3i n TYR 65 Ca -0.01 0.42 -0.16 0.00 -0.16 0.00 0.00 57.90 57.98 2f3i n TYR 65 Cb 0.18 -2.16 -0.06 0.00 -0.31 0.00 0.00 39.34 36.99 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 -1.59 0.42 0.26 -0.72 0.28 -1.26 -5.00 120.64 113.03 2f3i n GLU 66 Ca 0.14 -2.84 0.15 0.00 -0.16 0.00 0.00 57.16 54.45 2f3i n GLU 66 Cb 0.48 2.41 0.85 0.00 1.43 0.00 0.00 31.44 36.61 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 1.79 0.00 -0.00 -1.84 3.58 -1.95 -1.18 116.42 116.81 2f3i h ASP 67 Ca -0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2f3i h ASP 67 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2f3i h ASP 67 CO 0.31 0.00 -0.90 0.61 -2.88 0.00 0.00 179.24 176.38 2f3i n GLY 68 N -1.38 -0.80 0.20 -0.78 0.00 -1.26 -3.73 105.19 97.44 2f3i n GLY 68 Ca -0.02 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 0.40 0.93 -2.10 2.61 2.02 -1.60 -2.65 112.91 112.53 2f3i h THR 69 Ca 0.00 -1.24 -0.64 0.00 0.77 0.00 0.00 66.41 65.30 2f3i h THR 69 Cb 0.54 1.73 -0.38 0.00 -1.74 0.00 0.00 68.15 68.29 2f3i h THR 69 CO 0.00 0.32 -0.26 0.18 0.37 0.00 0.00 175.52 176.12 2f3i n LEU 70 N -3.72 5.23 -4.70 2.58 4.77 -1.22 -4.97 117.00 114.97 2f3i n LEU 70 Ca -0.01 -5.48 -0.58 0.00 -0.03 0.00 0.00 56.01 49.91 2f3i n LEU 70 Cb 0.42 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 2f3i n LEU 70 CO 0.36 2.24 1.35 -0.67 -1.33 0.00 0.00 177.39 179.34 2f3i n ASP 71 N -0.29 2.30 -3.40 -1.43 2.03 -1.00 -4.72 116.55 110.04 2f3i n ASP 71 Ca 0.37 1.04 -0.33 0.00 0.52 0.00 0.00 54.79 56.40 2f3i n ASP 71 Cb 0.42 -1.13 -0.06 0.00 -0.72 0.00 0.00 41.12 39.63 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 5.57 2.11 0.00 1.67 2.03 -1.26 -0.60 116.55 126.07 2f3i n ASP 72 Ca 0.28 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 53.14 2f3i n ASP 72 Cb 0.12 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 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 4.44 -0.41 0.24 0.27 0.00 -1.26 -4.93 105.19 103.53 2f3i n GLY 73 Ca 0.40 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.83 -6.29 1.61 4.81 -1.78 -3.45 114.58 110.31 2f3i h GLU 74 Ca 0.00 -0.57 -0.60 0.00 -0.13 0.00 0.00 59.36 58.06 2f3i h GLU 74 Cb 0.00 0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.48 2f3i h GLU 74 CO 0.00 1.19 1.11 0.98 -0.73 0.00 0.00 179.01 181.57 2f3i n TYR 75 N -4.02 2.36 -3.72 0.92 9.36 0.23 -4.98 117.16 117.31 2f3i n TYR 75 Ca -0.05 -0.06 -0.13 0.00 3.32 0.00 0.00 57.90 60.98 2f3i n TYR 75 Cb 0.65 -2.68 -0.10 0.00 -0.63 0.00 0.00 39.34 36.58 2f3i n TYR 75 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2f3i s ASN 76 N 4.06 -0.44 0.00 2.98 2.20 -1.26 -4.95 114.94 117.54 2f3i s ASN 76 Ca 0.92 0.82 0.26 0.00 -0.94 0.00 0.00 52.86 53.91 2f3i s ASN 76 Cb -0.66 0.84 1.41 0.00 -2.00 0.00 0.00 41.25 40.85 2f3i s ASN 76 CO 0.50 -0.18 1.93 -0.81 -2.94 0.00 0.00 177.10 175.60 2f3i n PRO 77 N 2.71 1.16 -2.05 3.55 -0.04 -1.26 -4.06 135.00 135.02 2f3i n PRO 77 Ca -0.14 -0.24 -0.19 0.00 -0.04 0.00 0.00 63.50 62.90 2f3i n PRO 77 Cb 0.57 -1.42 0.04 0.00 -0.04 0.00 0.00 33.50 32.65 2f3i n PRO 77 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2f3i n THR 78 N -0.64 2.31 1.59 0.52 -2.24 -1.26 -2.06 114.28 112.50 2f3i n THR 78 Ca 0.19 -3.95 0.15 0.00 -2.27 0.00 0.00 64.05 58.17 2f3i n THR 78 Cb 0.15 -0.72 0.73 0.00 -2.10 0.00 0.00 70.33 68.39 2f3i n THR 78 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2f3i n ASP 79 N -0.71 0.34 0.00 3.42 2.03 -1.26 -4.47 116.55 115.91 2f3i n ASP 79 Ca 0.37 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.98 2f3i n ASP 79 Cb 0.93 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 2f3i n ASP 79 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2f3i n ASP 80 N -0.93 0.00 0.00 1.67 2.03 -1.26 -4.98 116.55 113.08 2f3i n ASP 80 Ca 0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2f3i n ASP 80 Cb 0.23 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 2f3i n ASP 80 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2f3i n ARG 81 N -2.12 1.08 -1.24 -0.67 5.12 -1.26 -4.89 116.66 112.68 2f3i n ARG 81 Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 2f3i n ARG 81 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 2f3i n ARG 81 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2f3i n PRO 82 N 0.00 2.96 -0.34 5.56 -0.04 -1.26 -4.22 135.00 137.66 2f3i n PRO 82 Ca 0.00 -2.06 0.15 0.00 -0.04 0.00 0.00 63.50 61.55 2f3i n PRO 82 Cb 0.00 -2.82 0.35 0.00 -0.04 0.00 0.00 33.50 30.99 2f3i n PRO 82 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2f3i h SER 83 N 5.76 0.65 1.14 3.54 4.64 -1.79 -0.53 113.55 126.96 2f3i h SER 83 Ca 0.69 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 62.13 2f3i h SER 83 Cb 0.35 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2f3i h SER 83 CO 1.74 0.14 0.00 -1.14 -0.87 0.00 0.00 176.83 176.70 2f3i n ARG 84 N -4.87 0.09 -4.20 4.77 0.63 -0.88 -4.79 116.66 107.42 2f3i n ARG 84 Ca 0.25 0.09 -0.26 0.00 -0.92 0.00 0.00 57.85 57.01 2f3i n ARG 84 Cb 0.67 -1.61 -0.07 0.00 0.45 0.00 0.00 32.46 31.90 2f3i n ARG 84 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2f3i s ALA 85 N -3.04 3.66 0.00 5.13 0.00 -0.21 -3.55 121.76 123.75 2f3i s ALA 85 Ca 0.13 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.16 2f3i s ALA 85 Cb 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2f3i s ALA 85 CO 0.54 -0.18 0.00 -3.47 0.00 0.00 0.00 175.76 172.66 2f3i n ASP 86 N -1.26 0.00 -1.22 0.00 2.03 -1.26 -4.76 116.55 110.08 2f3i n ASP 86 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2f3i n ASP 86 Cb 0.65 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 2f3i n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2f3i n GLN 87 N 0.00 0.68 -2.59 -0.67 -0.00 -1.26 -4.79 117.38 108.74 2f3i n GLN 87 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.93 2f3i n GLN 87 Cb 0.00 -1.16 -0.00 0.00 -0.00 0.00 0.00 30.24 29.07 2f3i n GLN 87 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2f3i n PHE 88 N 0.99 -1.75 -2.74 2.61 1.16 -1.26 -4.79 117.46 111.69 2f3i n PHE 88 Ca 0.00 0.05 -0.09 0.00 -1.87 0.00 0.00 57.45 55.54 2f3i n PHE 88 Cb 0.34 -1.78 0.09 0.00 -1.61 0.00 0.00 39.48 36.52 2f3i n PHE 88 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 2f3i n GLU 89 N -2.73 1.03 -1.62 3.97 2.13 -1.26 -4.85 120.64 117.31 2f3i n GLU 89 Ca -0.05 -1.95 -0.41 0.00 0.66 0.00 0.00 57.16 55.41 2f3i n GLU 89 Cb 0.54 -1.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.22 2f3i n GLU 89 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2f3i n TYR 90 N 0.32 2.85 -3.09 4.31 9.36 -0.14 -4.84 117.16 125.93 2f3i n TYR 90 Ca 0.06 -2.27 -0.35 0.00 3.32 0.00 0.00 57.90 58.66 2f3i n TYR 90 Cb 0.71 -2.21 -0.06 0.00 -0.63 0.00 0.00 39.34 37.14 2f3i n TYR 90 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2f3i s VAL 91 N 5.08 4.57 0.22 2.97 0.11 -1.26 -1.29 120.40 130.80 2f3i s VAL 91 Ca 0.55 1.24 -0.16 0.00 -2.93 0.00 0.00 61.98 60.68 2f3i s VAL 91 Cb 0.11 -3.80 0.02 0.00 -1.53 0.00 0.00 36.38 31.17 2f3i s VAL 91 CO 0.05 0.10 0.53 -0.32 -3.33 0.00 0.00 175.10 172.13 2f3i s MET 92 N -2.23 1.48 0.01 1.54 1.75 0.67 -4.97 119.30 117.54 2f3i s MET 92 Ca 0.46 -1.01 0.01 0.00 -1.25 0.00 0.00 55.69 53.90 2f3i s MET 92 Cb -0.15 0.51 -0.01 0.00 2.84 0.00 0.00 34.83 38.02 2f3i s MET 92 CO 0.20 -0.63 -0.03 -0.47 -0.65 0.00 0.00 175.02 173.44 2f3i s TYR 93 N -3.93 0.29 0.00 4.11 5.04 -1.26 -1.71 117.35 119.89 2f3i s TYR 93 Ca 0.14 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 2f3i s TYR 93 Cb -0.01 -0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.11 2f3i s TYR 93 CO 0.02 -0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.61 2f3i n GLY 94 N 2.67 3.89 2.89 8.97 0.00 -0.44 -3.75 105.19 119.43 2f3i n GLY 94 Ca -0.15 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 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 1.27 0.81 0.15 1.61 2.20 0.16 -4.70 119.74 121.25 2f3i s LYS 95 Ca 0.00 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.46 2f3i s LYS 95 Cb 0.00 -0.81 -0.05 0.00 -1.51 0.00 0.00 37.83 35.45 2f3i s LYS 95 CO 0.00 -0.07 0.38 0.08 -0.36 0.00 0.00 175.35 175.37 2f3i s VAL 96 N 0.88 5.17 0.17 4.02 1.01 -1.13 -1.47 120.40 129.05 2f3i s VAL 96 Ca -0.12 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2f3i s VAL 96 Cb -0.14 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2f3i s VAL 96 CO 0.00 0.01 -0.05 -0.31 0.00 0.00 0.00 175.10 174.76 2f3i s TYR 97 N -1.68 1.27 0.22 5.22 2.02 0.21 -4.75 117.35 119.85 2f3i s TYR 97 Ca 0.41 -0.88 -0.23 0.00 -0.37 0.00 0.00 57.07 56.00 2f3i s TYR 97 Cb -0.12 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 40.78 2f3i s TYR 97 CO 0.25 -0.05 0.82 -0.98 -1.57 0.00 0.00 175.55 174.03 2f3i s ARG 98 N -3.83 1.51 0.29 -0.62 3.03 -1.26 -0.73 118.95 117.35 2f3i s ARG 98 Ca 0.20 -0.83 0.02 0.00 2.03 0.00 0.00 55.73 57.16 2f3i s ARG 98 Cb 0.04 0.52 -0.05 0.00 -1.03 0.00 0.00 34.95 34.43 2f3i s ARG 98 CO 0.03 -0.69 0.10 0.96 -1.13 0.00 0.00 175.30 174.56 2f3i s ILE 99 N -3.63 0.69 -1.30 4.99 -0.00 -1.09 -5.01 121.20 115.84 2f3i s ILE 99 Ca 0.11 -2.00 0.09 0.00 -0.00 0.00 0.00 60.65 58.85 2f3i s ILE 99 Cb -0.04 -2.64 0.13 0.00 -0.00 0.00 0.00 42.46 39.91 2f3i s ILE 99 CO 0.04 0.00 1.19 -1.84 -0.00 0.00 0.00 174.94 174.33 2f3i n GLU 100 N -0.58 0.09 -4.15 0.37 0.28 -1.26 -4.29 120.64 111.10 2f3i n GLU 100 Ca -0.01 0.25 -0.35 0.00 -0.16 0.00 0.00 57.16 56.89 2f3i n GLU 100 Cb 0.66 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 32.02 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 -0.57 -0.46 2.25 -1.84 0.00 -1.26 -4.92 105.19 98.40 2f3i n GLY 101 Ca 0.04 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.70 -0.07 -3.40 1.61 2.03 -1.12 -3.01 116.55 109.90 2f3i n ASP 102 Ca 0.06 -2.64 -0.27 0.00 0.52 0.00 0.00 54.79 52.46 2f3i n ASP 102 Cb 0.50 -0.54 -0.10 0.00 -0.72 0.00 0.00 41.12 40.26 2f3i n ASP 102 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2f3i s GLU 103 N -0.86 0.86 0.74 -0.67 2.12 -0.31 -4.91 118.70 115.66 2f3i s GLU 103 Ca 0.34 -2.02 -0.15 0.00 0.36 0.00 0.00 54.97 53.50 2f3i s GLU 103 Cb 0.14 -1.40 0.04 0.00 0.26 0.00 0.00 34.13 33.17 2f3i s GLU 103 CO -0.13 -1.37 1.24 0.95 -0.54 0.00 0.00 175.26 175.41 2f3i s THR 104 N 0.17 2.11 0.00 -1.70 -4.23 -1.26 -1.92 115.64 108.81 2f3i s THR 104 Ca 0.31 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 2f3i s THR 104 Cb 0.01 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2f3i s THR 104 CO -0.18 -0.03 0.00 -1.20 -0.54 0.00 0.00 174.62 172.68 2f3i n SER 105 N -2.70 0.00 -0.83 3.99 7.64 -1.26 -4.78 113.62 115.69 2f3i n SER 105 Ca 0.14 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.06 2f3i n SER 105 Cb 0.50 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.75 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 -2.00 0.51 -4.13 0.44 -2.24 -1.25 -5.01 114.28 100.60 2f3i n THR 106 Ca 0.00 -1.06 -0.32 0.00 -2.27 0.00 0.00 64.05 60.39 2f3i n THR 106 Cb 0.00 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.13 -3.27 -1.34 -0.78 1.02 -1.26 -4.87 120.64 110.00 2f3i n GLU 107 Ca 0.07 0.39 -0.12 0.00 -0.02 0.00 0.00 57.16 57.48 2f3i n GLU 107 Cb 0.86 -4.90 0.11 0.00 -0.02 0.00 0.00 31.44 27.49 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 -4.42 4.52 0.95 0.62 0.00 -0.81 -4.75 120.51 116.63 2f3i n ALA 108 Ca -0.06 -3.53 0.11 0.00 0.00 0.00 0.00 53.44 49.96 2f3i n ALA 108 Cb 0.56 -0.44 0.09 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.91 2.56 -2.22 0.00 0.00 -1.21 -1.17 120.51 117.57 2f3i n ALA 109 Ca 0.35 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 2f3i n ALA 109 Cb 0.86 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 2f3i n ALA 109 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2f3i s THR 110 N -1.95 0.45 0.55 0.00 -4.23 -1.16 -4.54 115.64 104.76 2f3i s THR 110 Ca 0.26 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 2f3i s THR 110 Cb 0.19 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.84 2f3i s THR 110 CO 0.31 -0.38 0.00 0.54 -0.54 0.00 0.00 174.62 174.55 2f3i n ARG 111 N -0.23 -3.09 -3.89 3.99 3.00 -1.26 -4.85 116.66 110.33 2f3i n ARG 111 Ca -0.05 2.47 -0.36 0.00 -0.01 0.00 0.00 57.85 59.90 2f3i n ARG 111 Cb 0.64 -3.63 -0.07 0.00 0.00 0.00 0.00 32.46 29.40 2f3i n ARG 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2f3i s LEU 112 N -7.08 4.20 -0.04 0.55 2.96 0.31 -4.42 118.68 115.15 2f3i s LEU 112 Ca 0.00 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 2f3i s LEU 112 Cb 0.00 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.65 2f3i s LEU 112 CO 0.00 0.31 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.76 2f3i s SER 113 N -0.45 1.83 0.11 3.68 0.01 -1.26 -1.80 113.70 115.82 2f3i s SER 113 Ca 0.11 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2f3i s SER 113 Cb -0.12 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 2f3i s SER 113 CO 0.02 0.10 -0.01 0.00 0.41 0.00 0.00 173.24 173.76 2f3i s ALA 114 N 0.22 0.92 0.13 1.44 0.00 0.27 -2.68 121.76 122.07 2f3i s ALA 114 Ca -0.06 -1.40 0.05 0.00 0.00 0.00 0.00 51.96 50.55 2f3i s ALA 114 Cb -0.12 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 2f3i s ALA 114 CO 0.02 -0.35 -0.12 0.71 0.00 0.00 0.00 175.76 176.02 2f3i s TYR 115 N -3.81 1.34 -0.00 0.00 2.02 0.09 -0.80 117.35 116.18 2f3i s TYR 115 Ca 0.16 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 2f3i s TYR 115 Cb 0.07 -0.69 -0.00 0.00 -0.40 0.00 0.00 41.96 40.94 2f3i s TYR 115 CO -0.02 0.12 -0.02 0.08 -1.57 0.00 0.00 175.55 174.14 2f3i s VAL 116 N -2.57 0.15 -0.13 0.71 1.01 -0.34 -0.62 120.40 118.61 2f3i s VAL 116 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2f3i s VAL 116 Cb -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.24 2f3i s VAL 116 CO 0.02 0.05 -0.13 -0.44 0.00 0.00 0.00 175.10 174.60 2f3i s SER 117 N -0.02 2.51 -0.25 3.32 0.01 -0.54 -0.72 113.70 118.01 2f3i s SER 117 Ca 0.01 -0.43 -0.03 0.00 1.31 0.00 0.00 55.95 56.80 2f3i s SER 117 Cb -0.01 -1.09 0.10 0.00 0.21 0.00 0.00 66.02 65.23 2f3i s SER 117 CO -0.00 -0.05 0.17 -0.72 0.41 0.00 0.00 173.24 173.05 2f3i s TYR 118 N 1.40 0.03 -1.91 2.43 1.13 -0.17 -0.66 117.35 119.60 2f3i s TYR 118 Ca 0.02 -0.44 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 2f3i s TYR 118 Cb -0.13 -0.68 0.00 0.00 -1.10 0.00 0.00 41.96 40.05 2f3i s TYR 118 CO -0.08 -0.75 0.00 0.41 -2.51 0.00 0.00 175.55 172.62 2f3i n GLY 119 N 5.28 0.36 1.12 5.49 0.00 -1.25 -1.09 105.19 115.10 2f3i n GLY 119 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.79 1.70 3.88 -0.02 0.00 -1.26 -5.06 105.19 103.64 2f3i n GLY 120 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 3.08 0.03 0.99 1.43 -0.25 -5.07 118.68 118.88 2f3i s LEU 121 Ca 0.00 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2f3i s LEU 121 Cb 0.00 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 2f3i s LEU 121 CO 0.00 -1.12 -0.02 -0.22 0.23 0.00 0.00 176.35 175.22 2f3i s LEU 122 N -5.24 2.31 0.05 1.79 2.96 -0.65 -1.00 118.68 118.91 2f3i s LEU 122 Ca 0.56 -0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 53.72 2f3i s LEU 122 Cb -0.11 0.16 -0.01 0.00 0.50 0.00 0.00 46.19 46.73 2f3i s LEU 122 CO 0.52 -0.42 0.13 -0.04 -1.32 0.00 0.00 176.35 175.22 2f3i s MET 123 N -2.43 0.68 -0.02 1.98 -1.94 0.11 -0.43 119.30 117.25 2f3i s MET 123 Ca -0.07 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.10 2f3i s MET 123 Cb -0.03 0.27 0.02 0.00 2.01 0.00 0.00 34.83 37.10 2f3i s MET 123 CO -0.04 -0.18 -0.02 1.03 -0.01 0.00 0.00 175.02 175.79 2f3i s ARG 124 N -3.02 0.43 -0.05 2.03 0.52 0.01 -1.20 118.95 117.66 2f3i s ARG 124 Ca -0.01 -0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.03 2f3i s ARG 124 Cb 0.01 -0.50 0.02 0.00 0.52 0.00 0.00 34.95 35.00 2f3i s ARG 124 CO -0.06 -0.04 0.28 -1.17 0.02 0.00 0.00 175.30 174.33 2f3i s LEU 125 N 0.59 0.95 0.06 2.53 2.96 0.02 -0.64 118.68 125.15 2f3i s LEU 125 Ca -0.06 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2f3i s LEU 125 Cb -0.10 1.08 -0.03 0.00 0.50 0.00 0.00 46.19 47.65 2f3i s LEU 125 CO -0.01 -0.29 -0.07 0.00 -1.32 0.00 0.00 176.35 174.66 2f3i s GLN 126 N -0.68 0.63 0.10 1.98 -2.07 -0.50 -0.56 119.66 118.55 2f3i s GLN 126 Ca -0.08 -0.96 -0.26 0.00 -1.82 0.00 0.00 55.36 52.25 2f3i s GLN 126 Cb -0.04 -0.25 0.08 0.00 -1.09 0.00 0.00 33.01 31.71 2f3i s GLN 126 CO 0.02 0.02 1.10 0.20 -1.32 0.00 0.00 175.29 175.31 2f3i s GLY 127 N -2.09 -0.19 0.33 2.60 0.00 -0.75 -1.51 107.32 105.72 2f3i s GLY 127 Ca -0.02 0.16 -0.28 0.00 0.00 0.00 0.00 44.72 44.57 2f3i s GLY 127 CO -0.01 1.04 1.28 1.34 0.00 0.00 0.00 173.10 176.74 2f3i n ASP 128 N -0.70 2.65 -0.35 1.64 -0.08 -1.26 -0.53 116.55 117.91 2f3i n ASP 128 Ca -0.05 1.20 -0.03 0.00 -1.51 0.00 0.00 54.79 54.40 2f3i n ASP 128 Cb 0.61 -1.47 0.02 0.00 2.34 0.00 0.00 41.12 42.62 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 2.63 0.02 -0.61 -1.67 0.00 -1.88 0.56 119.26 118.31 2f3i h ALA 129 Ca -0.45 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2f3i h ALA 129 Cb 1.29 1.02 -0.03 0.00 0.00 0.00 0.00 17.79 20.07 2f3i h ALA 129 CO 0.63 -0.68 0.19 -0.97 0.00 0.00 0.00 179.25 178.43 2f3i h ASN 130 N -0.04 0.86 0.91 0.00 -1.24 -2.00 -1.25 115.58 112.83 2f3i h ASN 130 Ca 0.30 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 2f3i h ASN 130 Cb 0.57 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 2f3i h ASN 130 CO -0.93 0.80 -0.01 -1.13 -1.29 0.00 0.00 177.43 174.87 2f3i h ASN 131 N 0.90 0.00 0.83 1.15 -1.24 -1.43 -2.25 115.58 113.54 2f3i h ASN 131 Ca 0.20 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.18 2f3i h ASN 131 Cb 0.25 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.30 2f3i h ASN 131 CO -0.01 0.01 -0.13 0.25 -1.29 0.00 0.00 177.43 176.26 2f3i h LEU 132 N 0.00 0.00 0.85 0.34 5.85 0.30 -3.47 115.31 119.18 2f3i h LEU 132 Ca -0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 2f3i h LEU 132 Cb 0.47 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.40 2f3i h LEU 132 CO 0.00 0.13 -0.45 1.57 -0.34 0.00 0.00 178.44 179.36 2f3i n HIS 133 N -3.33 -1.69 -2.73 1.25 -0.00 -0.85 -4.78 115.22 103.09 2f3i n HIS 133 Ca -0.00 0.33 -0.09 0.00 0.46 0.00 0.00 57.72 58.42 2f3i n HIS 133 Cb 0.35 -2.24 0.09 0.00 -0.12 0.00 0.00 29.99 28.07 2f3i n HIS 133 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2f3i n GLY 134 N -0.94 0.90 0.00 1.57 0.00 -1.26 -4.91 105.19 100.55 2f3i n GLY 134 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2f3i n GLY 134 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f3i n PHE 135 N 0.08 0.00 -4.23 1.61 3.72 -1.26 -4.64 117.46 112.74 2f3i n PHE 135 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 2f3i n PHE 135 Cb 0.74 -0.50 -0.08 0.00 -0.94 0.00 0.00 39.48 38.70 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 -3.00 2.81 0.00 -1.08 2.02 -1.26 -4.97 118.70 113.23 2f3i s GLU 136 Ca 0.04 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.43 2f3i s GLU 136 Cb 0.05 -2.69 0.05 0.00 0.10 0.00 0.00 34.13 31.64 2f3i s GLU 136 CO 0.15 0.62 0.93 1.33 0.02 0.00 0.00 175.26 178.31 2f3i n VAL 137 N 1.25 1.53 -0.71 2.63 0.24 -1.26 -1.15 118.33 120.85 2f3i n VAL 137 Ca -0.14 0.38 0.04 0.00 -2.04 0.00 0.00 64.34 62.58 2f3i n VAL 137 Cb 0.53 -1.37 0.05 0.00 -1.47 0.00 0.00 33.84 31.58 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 -1.40 1.72 0.00 -1.34 2.03 -1.26 -2.82 116.55 113.48 2f3i n ASP 138 Ca 0.00 -2.31 0.00 0.00 0.52 0.00 0.00 54.79 53.01 2f3i n ASP 138 Cb 0.01 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 2f3i n ASP 138 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2f3i n SER 139 N -0.75 0.00 -0.78 1.67 7.64 -0.30 -4.49 113.62 116.60 2f3i n SER 139 Ca 0.06 0.41 0.02 0.00 1.01 0.00 0.00 58.87 60.37 2f3i n SER 139 Cb 0.47 -0.45 0.10 0.00 -1.01 0.00 0.00 64.21 63.33 2f3i n SER 139 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2f3i n ARG 140 N -1.88 1.94 -0.06 1.43 1.85 -1.26 -3.05 116.66 115.63 2f3i n ARG 140 Ca 0.00 -0.81 0.01 0.00 -1.00 0.00 0.00 57.85 56.04 2f3i n ARG 140 Cb 0.00 -1.61 0.31 0.00 -1.05 0.00 0.00 32.46 30.11 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 1.08 1.17 -3.16 8.89 -1.51 -1.82 -3.39 116.25 117.51 2f3i h VAL 141 Ca 0.00 -0.54 -0.57 0.00 -1.23 0.00 0.00 66.70 64.36 2f3i h VAL 141 Cb 0.78 0.63 -0.05 0.00 -2.13 0.00 0.00 31.29 30.53 2f3i h VAL 141 CO 0.11 0.21 0.69 -0.31 -1.23 0.00 0.00 177.57 177.04 2f3i s TYR 142 N -5.31 3.40 -0.03 5.19 2.02 -1.17 -1.32 117.35 120.13 2f3i s TYR 142 Ca -0.09 1.51 -0.04 0.00 -0.37 0.00 0.00 57.07 58.08 2f3i s TYR 142 Cb 0.16 -3.24 0.01 0.00 -0.40 0.00 0.00 41.96 38.49 2f3i s TYR 142 CO 0.76 -0.42 0.10 -1.17 -1.57 0.00 0.00 175.55 173.25 2f3i s LEU 143 N 2.60 1.63 -0.08 -1.29 2.96 -0.70 -4.40 118.68 119.40 2f3i s LEU 143 Ca 0.47 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.48 2f3i s LEU 143 Cb -0.17 0.36 0.03 0.00 0.50 0.00 0.00 46.19 46.90 2f3i s LEU 143 CO 0.13 -0.06 0.20 -0.22 -1.32 0.00 0.00 176.35 175.08 2f3i s LEU 144 N -0.05 1.05 0.13 -0.68 0.20 -0.28 -0.24 118.68 118.81 2f3i s LEU 144 Ca -0.01 0.41 0.05 0.00 0.69 0.00 0.00 54.13 55.27 2f3i s LEU 144 Cb -0.01 0.66 -0.04 0.00 -0.43 0.00 0.00 46.19 46.37 2f3i s LEU 144 CO 0.00 -0.09 -0.11 -0.04 -0.29 0.00 0.00 176.35 175.81 2f3i s MET 145 N 0.40 1.02 0.19 1.98 -1.94 -0.41 -0.86 119.30 119.67 2f3i s MET 145 Ca -0.02 -1.33 -0.24 0.00 -1.71 0.00 0.00 55.69 52.38 2f3i s MET 145 Cb -0.04 -0.71 0.05 0.00 2.01 0.00 0.00 34.83 36.14 2f3i s MET 145 CO -0.02 0.11 0.89 -1.59 -0.01 0.00 0.00 175.02 174.40 2f3i s LYS 146 N -3.22 1.37 0.94 2.03 -2.85 -0.25 -0.97 119.74 116.79 2f3i s LYS 146 Ca 0.12 -0.76 -0.11 0.00 -1.00 0.00 0.00 55.97 54.23 2f3i s LYS 146 Cb -0.01 0.47 0.16 0.00 -2.06 0.00 0.00 37.83 36.39 2f3i s LYS 146 CO 0.01 -0.63 1.11 -1.59 0.10 0.00 0.00 175.35 174.36 2f3i s LYS 147 N -3.47 0.81 1.05 1.78 0.00 -1.26 -0.52 119.74 118.13 2f3i s LYS 147 Ca 0.12 1.27 -0.12 0.00 0.00 0.00 0.00 55.97 57.24 2f3i s LYS 147 Cb -0.03 -1.72 0.19 0.00 0.00 0.00 0.00 37.83 36.27 2f3i s LYS 147 CO 0.04 -2.68 0.91 1.47 0.00 0.00 0.00 175.35 175.08 2f3i n LEU 148 N -4.24 0.42 -3.37 2.77 -0.00 -1.25 -4.07 117.00 107.26 2f3i n LEU 148 Ca 0.09 0.11 -0.39 0.00 -0.00 0.00 0.00 56.01 55.82 2f3i n LEU 148 Cb 0.53 -1.31 -0.02 0.00 -0.00 0.00 0.00 43.42 42.62 2f3i n LEU 148 CO 0.52 -2.88 3.13 0.00 -0.00 0.00 0.00 177.39 178.16 2f3i n ALA 149 N -4.52 7.33 -1.43 1.47 0.00 -1.26 -4.96 120.51 117.14 2f3i n ALA 149 Ca 0.07 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.82 2f3i n ALA 149 Cb 0.54 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.77 2f3i n ALA 149 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84