#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3i n ALA 2 N 0.00 1.02 -3.71 3.17 0.00 0.19 -4.98 120.51 116.20 2f3i n ALA 2 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2f3i n ALA 2 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2f3i n ALA 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2f3i s GLY 3 N -0.16 -0.30 0.01 0.00 0.00 -0.55 -4.92 107.32 101.41 2f3i s GLY 3 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.13 2f3i s GLY 3 CO 0.00 0.79 -0.03 -1.50 0.00 0.00 0.00 173.10 172.36 2f3i s ILE 4 N -2.58 0.17 -0.14 0.90 2.07 -1.26 -1.48 121.20 118.88 2f3i s ILE 4 Ca 0.16 -0.54 -0.06 0.00 -1.41 0.00 0.00 60.65 58.80 2f3i s ILE 4 Cb 0.02 -0.24 -0.07 0.00 0.13 0.00 0.00 42.46 42.31 2f3i s ILE 4 CO -0.01 -0.23 -0.18 -0.11 -1.91 0.00 0.00 174.94 172.49 2f3i n LEU 5 N 2.26 1.23 -3.71 8.50 7.94 0.09 -4.89 117.00 128.43 2f3i n LEU 5 Ca -0.18 0.15 -0.08 0.00 -1.11 0.00 0.00 56.01 54.79 2f3i n LEU 5 Cb 0.57 -0.43 -0.02 0.00 0.53 0.00 0.00 43.42 44.07 2f3i n LEU 5 CO 0.23 0.35 0.49 0.72 -1.11 0.00 0.00 177.39 178.06 2f3i s PHE 6 N -2.27 -0.29 -0.02 1.96 -0.12 -1.21 -5.01 117.98 111.02 2f3i s PHE 6 Ca -0.20 -0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 56.61 2f3i s PHE 6 Cb 0.07 0.65 0.02 0.00 -0.63 0.00 0.00 43.02 43.14 2f3i s PHE 6 CO 0.26 -1.05 0.04 -2.00 -0.05 0.00 0.00 175.22 172.42 2f3i s GLU 7 N -3.77 -0.00 0.03 1.99 2.12 -1.26 -1.95 118.70 115.86 2f3i s GLU 7 Ca 0.08 0.17 -0.14 0.00 0.36 0.00 0.00 54.97 55.44 2f3i s GLU 7 Cb -0.04 -0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.21 2f3i s GLU 7 CO 0.00 -0.12 0.31 0.34 -0.54 0.00 0.00 175.26 175.24 2f3i s ASP 8 N 0.78 -0.14 0.40 -1.70 2.15 -0.62 -5.02 116.67 112.52 2f3i s ASP 8 Ca -0.06 -0.13 -0.24 0.00 0.43 0.00 0.00 52.55 52.55 2f3i s ASP 8 Cb -0.09 0.35 -0.09 0.00 -0.30 0.00 0.00 42.92 42.79 2f3i s ASP 8 CO -0.03 -0.58 1.04 -0.63 -0.17 0.00 0.00 175.17 174.81 2f3i s ILE 9 N -2.27 3.76 0.11 4.11 1.09 -1.26 -0.94 121.20 125.79 2f3i s ILE 9 Ca -0.07 1.34 0.06 0.00 -1.10 0.00 0.00 60.65 60.88 2f3i s ILE 9 Cb -0.02 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.65 2f3i s ILE 9 CO -0.02 0.01 -0.14 -0.36 -0.10 0.00 0.00 174.94 174.33 2f3i s PHE 10 N -1.67 1.37 -0.05 3.97 0.40 0.48 -0.46 117.98 122.02 2f3i s PHE 10 Ca 0.57 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 56.38 2f3i s PHE 10 Cb -0.22 -0.72 0.02 0.00 0.51 0.00 0.00 43.02 42.61 2f3i s PHE 10 CO 0.27 0.13 -0.08 0.34 0.70 0.00 0.00 175.22 176.58 2f3i s ASP 11 N -2.34 1.34 -0.18 1.36 2.15 -0.06 -1.57 116.67 117.37 2f3i s ASP 11 Ca 0.07 -0.21 -0.29 0.00 0.43 0.00 0.00 52.55 52.55 2f3i s ASP 11 Cb -0.06 -0.63 -0.02 0.00 -0.30 0.00 0.00 42.92 41.92 2f3i s ASP 11 CO 0.03 -0.02 1.42 -0.69 -0.17 0.00 0.00 175.17 175.74 2f3i s VAL 12 N 0.82 3.99 -0.01 1.11 1.01 -1.26 -1.42 120.40 124.64 2f3i s VAL 12 Ca -0.12 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.83 2f3i s VAL 12 Cb -0.15 -3.86 -0.29 0.00 0.00 0.00 0.00 36.38 32.09 2f3i s VAL 12 CO 0.02 -0.22 1.01 0.11 0.00 0.00 0.00 175.10 176.02 2f3i h LYS 13 N 9.20 0.41 -3.07 2.72 1.79 -0.64 -3.48 116.57 123.50 2f3i h LYS 13 Ca -0.30 -0.58 0.05 0.00 -2.18 0.00 0.00 60.65 57.64 2f3i h LYS 13 Cb 1.13 0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 31.92 2f3i h LYS 13 CO 0.98 1.24 0.20 0.34 -1.08 0.00 0.00 179.45 181.13 2f3i s ASP 14 N -7.02 -0.22 0.01 0.86 2.15 -0.67 -4.98 116.67 106.80 2f3i s ASP 14 Ca -0.12 -0.68 0.01 0.00 0.43 0.00 0.00 52.55 52.18 2f3i s ASP 14 Cb 0.03 0.72 -0.01 0.00 -0.30 0.00 0.00 42.92 43.36 2f3i s ASP 14 CO 0.85 -1.35 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.85 2f3i s ILE 15 N -3.82 0.17 -0.34 4.11 1.09 -1.26 -0.77 121.20 120.38 2f3i s ILE 15 Ca 0.13 -0.31 0.02 0.00 -1.10 0.00 0.00 60.65 59.39 2f3i s ILE 15 Cb -0.05 -0.19 0.15 0.00 -1.06 0.00 0.00 42.46 41.30 2f3i s ILE 15 CO 0.08 -0.09 0.34 -0.62 -0.10 0.00 0.00 174.94 174.55 2f3i s ASP 16 N -0.42 1.43 -0.92 3.58 2.15 0.29 -4.95 116.67 117.83 2f3i s ASP 16 Ca -0.03 -1.30 -0.24 0.00 0.43 0.00 0.00 52.55 51.41 2f3i s ASP 16 Cb -0.03 0.50 -0.01 0.00 -0.30 0.00 0.00 42.92 43.08 2f3i s ASP 16 CO -0.00 -0.31 1.77 -2.84 -0.17 0.00 0.00 175.17 173.62 2f3i s PRO 17 N 1.77 2.89 0.43 4.34 0.02 -1.26 -1.64 135.00 141.55 2f3i s PRO 17 Ca 0.14 -0.49 0.12 0.00 0.02 0.00 0.00 61.00 60.79 2f3i s PRO 17 Cb -0.15 -5.09 0.98 0.00 0.02 0.00 0.00 34.50 30.26 2f3i s PRO 17 CO -0.14 -2.95 2.02 0.93 -0.33 0.00 0.00 177.00 176.52 2f3i h GLU 18 N 11.01 0.42 0.00 5.54 5.08 -1.94 -3.40 114.58 131.29 2f3i h GLU 18 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2f3i h GLU 18 Cb 1.02 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2f3i h GLU 18 CO 1.28 0.28 0.00 0.41 -1.00 0.00 0.00 179.01 179.98 2f3i n GLY 19 N -1.51 0.00 3.55 -3.84 0.00 -1.26 -5.12 105.19 97.02 2f3i n GLY 19 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 2.79 0.29 1.61 -0.14 -1.26 -4.87 119.74 118.16 2f3i s LYS 20 Ca 0.00 0.03 0.03 0.00 -1.36 0.00 0.00 55.97 54.66 2f3i s LYS 20 Cb 0.00 -4.66 0.70 0.00 -1.68 0.00 0.00 37.83 32.19 2f3i s LYS 20 CO 0.00 -2.78 1.69 0.87 -0.76 0.00 0.00 175.35 174.36 2f3i h LYS 21 N 12.57 0.34 0.00 1.68 1.79 -2.00 -1.41 116.57 129.54 2f3i h LYS 21 Ca -0.11 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2f3i h LYS 21 Cb 1.08 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2f3i h LYS 21 CO 1.25 0.23 -0.10 0.74 -1.08 0.00 0.00 179.45 180.48 2f3i h PHE 22 N 0.35 0.00 0.00 -1.35 0.04 -1.91 -3.48 116.94 110.60 2f3i h PHE 22 Ca 0.54 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.31 2f3i h PHE 22 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 2f3i h PHE 22 CO -0.17 0.00 0.00 -3.47 -0.60 0.00 0.00 178.31 174.07 2f3i n ASP 23 N -2.83 0.00 -0.05 2.17 2.03 -0.53 -4.55 116.55 112.78 2f3i n ASP 23 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2f3i n ASP 23 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2f3i n ASP 23 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2f3i n ARG 24 N 0.00 0.63 -4.81 -0.67 -4.01 -1.26 -4.61 116.66 101.93 2f3i n ARG 24 Ca 0.00 0.00 -0.25 0.00 -1.04 0.00 0.00 57.85 56.56 2f3i n ARG 24 Cb 0.00 -1.03 -0.15 0.00 -3.04 0.00 0.00 32.46 28.24 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 -1.90 1.39 0.15 8.89 1.01 -1.26 -0.31 120.40 128.36 2f3i s VAL 25 Ca 0.00 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 2f3i s VAL 25 Cb 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.26 2f3i s VAL 25 CO 0.00 0.37 0.49 -0.44 0.00 0.00 0.00 175.10 175.52 2f3i s SER 26 N -0.48 -0.35 0.37 3.32 0.01 -0.40 -4.81 113.70 111.35 2f3i s SER 26 Ca 0.07 -0.24 -0.17 0.00 1.31 0.00 0.00 55.95 56.92 2f3i s SER 26 Cb -0.07 0.54 -0.09 0.00 0.21 0.00 0.00 66.02 66.60 2f3i s SER 26 CO -0.00 -0.93 0.81 -0.60 0.41 0.00 0.00 173.24 172.93 2f3i s ARG 27 N -3.80 4.06 0.05 12.44 3.52 -0.65 -1.70 118.95 132.88 2f3i s ARG 27 Ca 0.03 0.81 0.01 0.00 -0.13 0.00 0.00 55.73 56.45 2f3i s ARG 27 Cb 0.00 -2.34 -0.03 0.00 -1.56 0.00 0.00 34.95 31.02 2f3i s ARG 27 CO -0.11 0.07 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.89 2f3i s LEU 28 N -3.12 2.38 -0.11 -0.88 1.43 0.59 -0.55 118.68 118.42 2f3i s LEU 28 Ca 0.57 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2f3i s LEU 28 Cb -0.10 0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.13 2f3i s LEU 28 CO 0.17 -0.39 -0.21 -1.00 0.23 0.00 0.00 176.35 175.15 2f3i s HIS 29 N -2.63 2.41 0.10 0.29 3.76 0.05 -1.28 115.29 117.99 2f3i s HIS 29 Ca -0.01 -1.10 -0.02 0.00 -0.15 0.00 0.00 55.06 53.77 2f3i s HIS 29 Cb -0.01 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.99 2f3i s HIS 29 CO -0.04 -0.49 0.05 0.00 -0.85 0.00 0.00 174.74 173.41 2f3i s GLU 31 N -3.97 0.14 0.53 0.00 2.12 -0.51 -1.58 118.70 115.44 2f3i s GLU 31 Ca 0.15 0.05 -0.21 0.00 0.36 0.00 0.00 54.97 55.32 2f3i s GLU 31 Cb 0.07 -0.27 -0.06 0.00 0.26 0.00 0.00 34.13 34.13 2f3i s GLU 31 CO -0.04 -0.07 1.20 -1.54 -0.54 0.00 0.00 175.26 174.26 2f3i s SER 32 N 0.58 5.65 0.16 -1.70 1.04 -1.07 -0.89 113.70 117.48 2f3i s SER 32 Ca -0.05 2.36 0.07 0.00 0.48 0.00 0.00 55.95 58.81 2f3i s SER 32 Cb -0.08 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.38 2f3i s SER 32 CO -0.01 -1.28 1.37 -0.08 0.98 0.00 0.00 173.24 174.22 2f3i h GLU 33 N 1.43 0.03 0.00 4.02 4.81 -1.12 -3.43 114.58 120.31 2f3i h GLU 33 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2f3i h GLU 33 Cb 1.27 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2f3i h GLU 33 CO 0.58 0.91 -0.38 0.43 -0.73 0.00 0.00 179.01 179.82 2f3i n SER 34 N -3.49 1.82 -1.61 1.04 7.64 -1.26 -4.92 113.62 112.84 2f3i n SER 34 Ca -0.01 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.74 2f3i n SER 34 Cb 0.85 0.16 0.18 0.00 -1.01 0.00 0.00 64.21 64.39 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 -1.18 1.90 -4.23 1.43 3.72 -1.26 -4.99 117.46 112.85 2f3i n PHE 35 Ca 0.00 -1.79 -0.37 0.00 -0.05 0.00 0.00 57.45 55.23 2f3i n PHE 35 Cb 0.19 -0.69 -0.05 0.00 -0.94 0.00 0.00 39.48 37.99 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 -1.11 -0.68 -3.91 -1.08 2.85 -1.26 -4.80 118.16 108.17 2f3i n LYS 36 Ca 0.44 0.08 -0.35 0.00 -1.05 0.00 0.00 58.31 57.43 2f3i n LYS 36 Cb 1.22 -3.17 -0.14 0.00 -0.65 0.00 0.00 35.03 32.30 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 -7.43 2.51 -0.13 -1.58 -1.94 -1.26 -4.16 119.30 105.30 2f3i s MET 37 Ca 0.19 -1.21 -0.27 0.00 -1.71 0.00 0.00 55.69 52.68 2f3i s MET 37 Cb -0.10 -3.16 -0.02 0.00 2.01 0.00 0.00 34.83 33.56 2f3i s MET 37 CO 0.99 -0.58 0.89 0.34 -0.01 0.00 0.00 175.02 176.65 2f3i s ASP 38 N 1.27 7.08 0.01 3.03 2.15 -0.40 -2.60 116.67 127.21 2f3i s ASP 38 Ca -0.04 1.33 0.03 0.00 0.43 0.00 0.00 52.55 54.30 2f3i s ASP 38 Cb -0.19 -2.49 -0.01 0.00 -0.30 0.00 0.00 42.92 39.92 2f3i s ASP 38 CO -0.01 -0.39 -0.10 -0.22 -0.17 0.00 0.00 175.17 174.28 2f3i s LEU 39 N 1.95 2.07 -0.04 -1.34 2.96 -0.61 -1.48 118.68 122.19 2f3i s LEU 39 Ca 0.42 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 54.15 2f3i s LEU 39 Cb -0.17 -0.46 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 2f3i s LEU 39 CO 0.15 0.06 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.36 2f3i s ILE 40 N -0.45 2.05 -0.27 6.68 -1.09 0.53 -0.66 121.20 128.00 2f3i s ILE 40 Ca 0.02 -1.08 -0.00 0.00 -2.23 0.00 0.00 60.65 57.35 2f3i s ILE 40 Cb -0.05 -1.72 0.15 0.00 -1.58 0.00 0.00 42.46 39.26 2f3i s ILE 40 CO 0.00 0.57 0.42 -0.22 -1.23 0.00 0.00 174.94 174.48 2f3i s LEU 41 N -0.32 -0.80 -0.46 2.97 2.96 -0.40 -1.41 118.68 121.22 2f3i s LEU 41 Ca 0.01 0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 2f3i s LEU 41 Cb -0.12 1.23 0.07 0.00 0.50 0.00 0.00 46.19 47.87 2f3i s LEU 41 CO 0.02 -0.32 0.37 -0.62 -1.32 0.00 0.00 176.35 174.48 2f3i s ASP 42 N 2.58 6.08 0.27 3.68 2.15 0.74 -0.30 116.67 131.87 2f3i s ASP 42 Ca 0.12 -1.32 -0.10 0.00 0.43 0.00 0.00 52.55 51.68 2f3i s ASP 42 Cb -0.14 -2.16 -0.00 0.00 -0.30 0.00 0.00 42.92 40.32 2f3i s ASP 42 CO -0.23 -0.62 0.46 0.68 -0.17 0.00 0.00 175.17 175.30 2f3i s VAL 43 N 1.62 0.00 0.18 1.11 -7.23 -0.69 -1.64 120.40 113.74 2f3i s VAL 43 Ca 0.04 -1.47 -0.32 0.00 -1.81 0.00 0.00 61.98 58.42 2f3i s VAL 43 Cb -0.24 -2.34 -0.11 0.00 0.56 0.00 0.00 36.38 34.24 2f3i s VAL 43 CO 0.06 0.00 1.77 -3.20 -0.31 0.00 0.00 175.10 173.43 2f3i n ASN 44 N -0.62 4.04 -0.27 4.85 5.15 -1.26 -1.27 115.26 125.88 2f3i n ASN 44 Ca -0.01 1.03 0.03 0.00 -0.60 0.00 0.00 54.58 55.03 2f3i n ASN 44 Cb 0.62 -1.57 0.03 0.00 -0.53 0.00 0.00 39.78 38.34 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 4.27 0.09 0.81 -1.44 -6.64 0.57 -4.54 119.36 112.47 2f3i n ILE 45 Ca 0.17 -0.54 0.08 0.00 -1.77 0.00 0.00 62.75 60.68 2f3i n ILE 45 Cb 0.36 1.08 0.42 0.00 -1.44 0.00 0.00 39.64 40.06 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 0.34 0.27 -0.24 6.28 -0.00 -1.24 -0.92 117.38 121.87 2f3i n GLN 46 Ca 0.04 0.11 -0.04 0.00 -0.00 0.00 0.00 57.00 57.12 2f3i n GLN 46 Cb 0.18 -1.50 0.13 0.00 -0.00 0.00 0.00 30.24 29.04 2f3i n GLN 46 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2f3i h ILE 47 N 0.00 1.24 -4.01 -0.39 2.04 -1.92 -3.45 117.51 111.02 2f3i h ILE 47 Ca 0.00 -0.75 -0.46 0.00 1.00 0.00 0.00 64.86 64.65 2f3i h ILE 47 Cb 0.13 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2f3i h ILE 47 CO 0.00 0.31 0.36 -0.31 0.00 0.00 0.00 178.15 178.51 2f3i s TYR 48 N -5.51 3.32 0.15 1.37 2.02 -0.10 -4.97 117.35 113.63 2f3i s TYR 48 Ca -0.11 1.65 0.21 0.00 -0.37 0.00 0.00 57.07 58.44 2f3i s TYR 48 Cb 0.16 -2.95 0.76 0.00 -0.40 0.00 0.00 41.96 39.53 2f3i s TYR 48 CO 0.82 -0.27 1.77 -1.00 -1.57 0.00 0.00 175.55 175.30 2f3i h PRO 49 N 2.21 0.00 -3.93 -1.71 0.13 -1.87 -3.46 132.00 123.38 2f3i h PRO 49 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2f3i h PRO 49 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2f3i h PRO 49 CO 0.62 0.32 -0.43 0.14 -0.23 0.00 0.00 178.00 178.41 2f3i s VAL 50 N -3.63 0.15 0.55 1.56 -7.23 -1.26 -5.05 120.40 105.48 2f3i s VAL 50 Ca 0.00 -1.35 0.22 0.00 -1.81 0.00 0.00 61.98 59.04 2f3i s VAL 50 Cb 0.11 -1.46 0.30 0.00 0.56 0.00 0.00 36.38 35.89 2f3i s VAL 50 CO 0.67 -0.67 2.19 -0.78 -0.31 0.00 0.00 175.10 176.20 2f3i h ASP 51 N 2.81 0.00 0.20 4.85 3.58 -1.93 -0.92 116.42 125.01 2f3i h ASP 51 Ca -0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2f3i h ASP 51 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2f3i h ASP 51 CO 0.57 0.01 0.00 0.25 -2.88 0.00 0.00 179.24 177.19 2f3i h LEU 52 N 0.00 0.00 0.00 2.28 5.85 -1.99 -3.49 115.31 117.96 2f3i h LEU 52 Ca -0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2f3i h LEU 52 Cb 0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2f3i h LEU 52 CO 0.00 0.00 -0.07 0.61 -0.34 0.00 0.00 178.44 178.64 2f3i n GLY 53 N -0.94 -2.08 3.57 3.75 0.00 -0.35 -4.97 105.19 104.17 2f3i n GLY 53 Ca -0.01 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.37 -0.24 0.17 1.61 2.15 -1.26 -4.68 116.67 111.05 2f3i s ASP 54 Ca 0.00 -0.56 -0.31 0.00 0.43 0.00 0.00 52.55 52.11 2f3i s ASP 54 Cb 0.00 0.60 -0.09 0.00 -0.30 0.00 0.00 42.92 43.13 2f3i s ASP 54 CO 0.00 -1.10 1.44 -0.54 -0.17 0.00 0.00 175.17 174.80 2f3i s LYS 55 N -3.90 4.29 0.01 4.34 1.02 -1.26 -4.56 119.74 119.68 2f3i s LYS 55 Ca 0.11 2.21 0.00 0.00 0.02 0.00 0.00 55.97 58.31 2f3i s LYS 55 Cb -0.02 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2f3i s LYS 55 CO 0.00 -0.46 -0.02 -0.06 -0.92 0.00 0.00 175.35 173.89 2f3i s PHE 56 N 0.74 0.19 0.10 3.18 0.40 -0.61 -3.33 117.98 118.66 2f3i s PHE 56 Ca 0.64 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 56.34 2f3i s PHE 56 Cb -0.40 -0.14 -0.06 0.00 0.51 0.00 0.00 43.02 42.94 2f3i s PHE 56 CO 0.34 -0.11 0.97 1.03 0.70 0.00 0.00 175.22 178.16 2f3i s ARG 57 N -0.91 4.67 -0.13 0.44 0.52 0.74 -0.38 118.95 123.90 2f3i s ARG 57 Ca -0.10 1.47 -0.04 0.00 -0.52 0.00 0.00 55.73 56.54 2f3i s ARG 57 Cb -0.06 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 2f3i s ARG 57 CO -0.01 0.17 0.02 -1.17 0.02 0.00 0.00 175.30 174.33 2f3i s LEU 58 N 0.11 3.62 -0.01 2.53 1.98 -0.12 -1.67 118.68 125.12 2f3i s LEU 58 Ca 0.48 0.08 0.02 0.00 -2.89 0.00 0.00 54.13 51.82 2f3i s LEU 58 Cb -0.23 -1.87 -0.00 0.00 0.66 0.00 0.00 46.19 44.74 2f3i s LEU 58 CO 0.30 0.27 -0.07 -0.69 -1.89 0.00 0.00 176.35 174.26 2f3i s VAL 59 N -0.20 0.58 -0.12 1.68 1.01 0.07 -1.58 120.40 121.82 2f3i s VAL 59 Ca 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2f3i s VAL 59 Cb -0.12 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 2f3i s VAL 59 CO 0.02 0.17 0.00 -0.63 0.00 0.00 0.00 175.10 174.67 2f3i s ILE 60 N -0.03 4.31 0.00 2.22 -1.09 -0.82 -1.44 121.20 124.34 2f3i s ILE 60 Ca 0.01 -0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 2f3i s ILE 60 Cb -0.04 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 2f3i s ILE 60 CO -0.00 0.55 0.00 0.00 -1.23 0.00 0.00 174.94 174.25 2f3i n ALA 61 N 2.80 0.00 -3.33 9.38 0.00 -0.53 -0.73 120.51 128.10 2f3i n ALA 61 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 2f3i n ALA 61 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.57 -0.39 -0.09 0.00 0.01 -0.55 -4.60 113.70 107.51 2f3i s SER 62 Ca 0.00 0.58 -0.06 0.00 1.31 0.00 0.00 55.95 57.78 2f3i s SER 62 Cb 0.00 0.64 0.04 0.00 0.21 0.00 0.00 66.02 66.91 2f3i s SER 62 CO 0.00 -0.33 0.22 -0.89 0.41 0.00 0.00 173.24 172.66 2f3i s THR 63 N -0.54 -0.03 -1.60 1.44 2.01 -1.26 -0.63 115.64 115.03 2f3i s THR 63 Ca -0.07 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 2f3i s THR 63 Cb -0.03 -0.34 -0.07 0.00 0.01 0.00 0.00 72.50 72.07 2f3i s THR 63 CO 0.03 0.04 2.83 -0.11 -0.69 0.00 0.00 174.62 176.73 2f3i n LEU 64 N 3.84 8.44 0.30 4.42 7.94 -1.26 -4.76 117.00 135.93 2f3i n LEU 64 Ca -0.22 -4.33 0.17 0.00 -1.11 0.00 0.00 56.01 50.53 2f3i n LEU 64 Cb 0.54 -1.58 0.97 0.00 0.53 0.00 0.00 43.42 43.89 2f3i n LEU 64 CO 0.16 1.90 1.11 0.22 -1.11 0.00 0.00 177.39 179.68 2f3i h TYR 65 N 5.18 0.00 -0.03 1.96 3.20 -2.02 -1.30 116.97 123.96 2f3i h TYR 65 Ca 0.82 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.70 2f3i h TYR 65 Cb 0.35 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 2f3i h TYR 65 CO 1.81 0.02 0.06 0.93 -1.64 0.00 0.00 178.16 179.34 2f3i h GLU 66 N 0.00 0.00 0.00 1.82 4.39 -2.03 -0.52 114.58 118.25 2f3i h GLU 66 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2f3i h GLU 66 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2f3i h GLU 66 CO 0.00 0.00 -0.12 0.22 -1.16 0.00 0.00 179.01 177.95 2f3i h ASP 67 N 0.00 0.00 -3.47 1.42 3.58 -1.65 -3.47 116.42 112.84 2f3i h ASP 67 Ca 0.01 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.14 2f3i h ASP 67 Cb 0.13 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.22 2f3i h ASP 67 CO -0.00 0.12 -0.47 0.61 -2.88 0.00 0.00 179.24 176.62 2f3i n GLY 68 N -0.16 -0.27 0.29 -0.78 0.00 -0.20 -4.90 105.19 99.17 2f3i n GLY 68 Ca -0.00 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.97 0.54 -1.05 2.61 2.02 -1.84 -1.25 112.91 112.97 2f3i h THR 69 Ca -0.42 -0.10 -0.46 0.00 0.77 0.00 0.00 66.41 66.20 2f3i h THR 69 Cb 1.29 1.07 -0.41 0.00 -1.74 0.00 0.00 68.15 68.35 2f3i h THR 69 CO 0.45 0.02 -0.94 0.18 0.37 0.00 0.00 175.52 175.60 2f3i n LEU 70 N -3.82 3.34 -4.70 2.58 4.77 -1.26 -4.72 117.00 113.19 2f3i n LEU 70 Ca -0.03 -4.36 -0.55 0.00 -0.03 0.00 0.00 56.01 51.05 2f3i n LEU 70 Cb 0.11 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2f3i n LEU 70 CO 0.28 1.83 1.40 -0.67 -1.33 0.00 0.00 177.39 178.90 2f3i n ASP 71 N -0.42 2.71 -4.53 -1.43 2.03 -0.47 -4.40 116.55 110.03 2f3i n ASP 71 Ca 0.27 1.02 -0.31 0.00 0.52 0.00 0.00 54.79 56.29 2f3i n ASP 71 Cb 0.79 -1.21 -0.10 0.00 -0.72 0.00 0.00 41.12 39.88 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 5.94 1.10 0.00 1.67 2.03 -1.26 -0.36 116.55 125.66 2f3i n ASP 72 Ca 0.26 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.06 2f3i n ASP 72 Cb 0.18 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 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 6.23 1.43 2.69 0.27 0.00 -1.26 -4.94 105.19 109.62 2f3i n GLY 73 Ca 0.52 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 1.24 -2.08 1.61 2.13 0.52 -5.04 120.64 119.02 2f3i n GLU 74 Ca 0.00 -3.29 -0.28 0.00 0.66 0.00 0.00 57.16 54.25 2f3i n GLU 74 Cb 0.00 -1.30 -0.05 0.00 0.27 0.00 0.00 31.44 30.36 2f3i n GLU 74 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2f3i s TYR 75 N -3.22 1.90 0.55 4.31 6.14 -1.20 -4.15 117.35 121.68 2f3i s TYR 75 Ca 0.27 0.48 -0.21 0.00 0.64 0.00 0.00 57.07 58.25 2f3i s TYR 75 Cb 0.43 -4.07 -0.06 0.00 0.42 0.00 0.00 41.96 38.69 2f3i s TYR 75 CO 0.02 -1.58 1.13 -1.71 0.64 0.00 0.00 175.55 174.06 2f3i n ASN 76 N 13.81 1.61 0.08 4.32 2.85 -1.26 -4.87 115.26 131.80 2f3i n ASN 76 Ca 0.42 0.91 0.04 0.00 -0.11 0.00 0.00 54.58 55.84 2f3i n ASN 76 Cb 0.47 -1.46 0.23 0.00 1.24 0.00 0.00 39.78 40.26 2f3i n ASN 76 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2f3i n PRO 77 N -0.87 0.06 -3.19 1.20 -0.02 -1.26 -4.81 135.00 126.11 2f3i n PRO 77 Ca 0.12 0.49 -0.23 0.00 -2.02 0.00 0.00 63.50 61.86 2f3i n PRO 77 Cb 0.45 -1.83 0.02 0.00 -0.02 0.00 0.00 33.50 32.12 2f3i n PRO 77 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2f3i n THR 78 N -1.77 -1.69 -1.90 3.45 -1.04 -1.26 -4.84 114.28 105.23 2f3i n THR 78 Ca -0.01 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 2f3i n THR 78 Cb 0.16 -2.90 0.12 0.00 -1.82 0.00 0.00 70.33 65.89 2f3i n THR 78 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2f3i n ASP 79 N -2.47 1.39 0.15 8.00 2.03 -1.26 -3.42 116.55 120.97 2f3i n ASP 79 Ca -0.07 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.24 2f3i n ASP 79 Cb 0.59 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 -0.49 -2.07 -4.77 1.67 2.03 -1.26 -4.86 116.55 106.79 2f3i n ASP 80 Ca 0.13 0.57 -0.38 0.00 0.52 0.00 0.00 54.79 55.63 2f3i n ASP 80 Cb 0.85 2.06 -0.04 0.00 -0.72 0.00 0.00 41.12 43.27 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 -1.73 4.29 0.00 -0.67 0.52 -1.26 -4.10 118.95 116.00 2f3i s ARG 81 Ca 0.00 1.62 0.00 0.00 -0.52 0.00 0.00 55.73 56.83 2f3i s ARG 81 Cb 0.00 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.73 2f3i s ARG 81 CO 0.00 -0.05 0.00 -2.30 0.02 0.00 0.00 175.30 172.97 2f3i n PRO 82 N 0.30 -0.30 0.30 3.54 -0.02 -1.26 -4.29 135.00 133.27 2f3i n PRO 82 Ca 0.03 -0.15 0.19 0.00 -2.02 0.00 0.00 63.50 61.56 2f3i n PRO 82 Cb 0.48 0.27 1.04 0.00 -0.02 0.00 0.00 33.50 35.26 2f3i n PRO 82 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2f3i h SER 83 N 1.14 0.00 -0.05 2.55 4.64 -1.72 -1.22 113.55 118.89 2f3i h SER 83 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2f3i h SER 83 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2f3i h SER 83 CO 0.00 0.00 0.08 0.03 -0.87 0.00 0.00 176.83 176.07 2f3i h ARG 84 N 0.00 0.00 0.00 4.77 3.08 -1.86 -1.52 114.38 118.85 2f3i h ARG 84 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2f3i h ARG 84 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2f3i h ARG 84 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 2f3i n ALA 85 N -2.24 2.24 -0.86 0.04 0.00 -0.46 -4.46 120.51 114.77 2f3i n ALA 85 Ca -0.02 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.04 2f3i n ALA 85 Cb 0.16 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 2f3i n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2f3i n ASP 86 N -1.16 5.67 0.00 0.00 2.03 -0.57 -3.39 116.55 119.13 2f3i n ASP 86 Ca 0.14 -2.38 0.00 0.00 0.52 0.00 0.00 54.79 53.07 2f3i n ASP 86 Cb 0.13 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 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 4.12 2.26 -1.87 -0.67 6.02 -1.26 -5.09 117.38 120.89 2f3i n GLN 87 Ca 0.51 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 57.20 2f3i n GLN 87 Cb 0.15 -0.19 0.03 0.00 1.02 0.00 0.00 30.24 31.25 2f3i n GLN 87 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2f3i s PHE 88 N -0.01 3.45 -0.02 1.08 -0.12 -1.22 -4.86 117.98 116.28 2f3i s PHE 88 Ca 0.00 1.16 0.04 0.00 -0.05 0.00 0.00 56.93 58.08 2f3i s PHE 88 Cb 0.00 -2.91 -0.06 0.00 -0.63 0.00 0.00 43.02 39.42 2f3i s PHE 88 CO 0.00 -0.97 0.07 -1.91 -0.05 0.00 0.00 175.22 172.35 2f3i n GLU 89 N -2.90 1.20 -3.75 1.99 4.07 -0.18 -4.98 120.64 116.08 2f3i n GLU 89 Ca 0.07 -0.03 -0.13 0.00 -0.06 0.00 0.00 57.16 57.01 2f3i n GLU 89 Cb 0.56 -1.10 -0.08 0.00 -0.06 0.00 0.00 31.44 30.75 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 -2.23 -0.19 -0.08 4.31 5.04 -0.46 -4.97 117.35 118.77 2f3i s TYR 90 Ca -0.02 0.27 -0.11 0.00 -2.44 0.00 0.00 57.07 54.77 2f3i s TYR 90 Cb 0.02 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.46 2f3i s TYR 90 CO 0.17 -0.40 0.29 0.54 -1.34 0.00 0.00 175.55 174.81 2f3i s VAL 91 N -1.41 0.02 0.24 3.14 0.11 -1.26 -0.98 120.40 120.26 2f3i s VAL 91 Ca -0.13 -0.16 -0.22 0.00 -2.93 0.00 0.00 61.98 58.55 2f3i s VAL 91 Cb -0.05 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2f3i s VAL 91 CO 0.04 -0.09 0.68 -0.32 -3.33 0.00 0.00 175.10 172.08 2f3i s MET 92 N -0.29 1.63 0.08 1.54 0.00 -0.42 -5.00 119.30 116.84 2f3i s MET 92 Ca -0.04 -0.83 0.10 0.00 0.00 0.00 0.00 55.69 54.91 2f3i s MET 92 Cb -0.03 0.60 -0.03 0.00 0.00 0.00 0.00 34.83 35.37 2f3i s MET 92 CO 0.01 -0.74 -0.25 0.71 0.00 0.00 0.00 175.02 174.75 2f3i s TYR 93 N -3.87 2.20 0.00 4.11 2.02 -1.26 -1.52 117.35 119.04 2f3i s TYR 93 Ca 0.08 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 2f3i s TYR 93 Cb -0.04 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.25 2f3i s TYR 93 CO 0.01 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.60 2f3i n GLY 94 N 1.44 4.95 2.85 0.71 0.00 -0.53 -0.80 105.19 113.81 2f3i n GLY 94 Ca -0.18 -1.38 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 2f3i n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f3i s LYS 95 N 0.87 0.03 0.32 1.61 1.02 -0.13 -4.75 119.74 118.71 2f3i s LYS 95 Ca 0.00 0.32 -0.26 0.00 0.02 0.00 0.00 55.97 56.04 2f3i s LYS 95 Cb 0.00 -0.23 -0.10 0.00 -0.52 0.00 0.00 37.83 36.98 2f3i s LYS 95 CO 0.00 -0.19 0.95 0.08 -0.92 0.00 0.00 175.35 175.28 2f3i s VAL 96 N 1.26 4.16 -0.42 3.17 1.01 -1.16 -1.24 120.40 127.20 2f3i s VAL 96 Ca -0.08 1.82 0.06 0.00 0.00 0.00 0.00 61.98 63.78 2f3i s VAL 96 Cb -0.12 -4.02 0.21 0.00 0.00 0.00 0.00 36.38 32.45 2f3i s VAL 96 CO -0.05 0.17 0.49 -1.22 0.00 0.00 0.00 175.10 174.49 2f3i n TYR 97 N 0.61 -1.20 -3.66 5.22 4.01 0.02 -4.92 117.16 117.24 2f3i n TYR 97 Ca 0.02 -3.09 -0.10 0.00 -0.16 0.00 0.00 57.90 54.57 2f3i n TYR 97 Cb 0.50 0.26 -0.03 0.00 -0.31 0.00 0.00 39.34 39.75 2f3i n TYR 97 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2f3i s ARG 98 N -0.28 1.37 0.22 -0.72 6.06 -1.26 -4.33 118.95 120.01 2f3i s ARG 98 Ca 0.33 -0.76 -0.02 0.00 -2.50 0.00 0.00 55.73 52.78 2f3i s ARG 98 Cb 0.10 0.54 0.05 0.00 0.06 0.00 0.00 34.95 35.70 2f3i s ARG 98 CO -0.16 -0.59 0.30 0.44 -2.50 0.00 0.00 175.30 172.80 2f3i n ILE 99 N -0.35 0.00 0.13 4.11 -0.00 -1.26 -4.96 119.36 117.03 2f3i n ILE 99 Ca -0.12 -0.32 0.08 0.00 -0.00 0.00 0.00 62.75 62.39 2f3i n ILE 99 Cb 0.63 -1.60 0.42 0.00 -0.00 0.00 0.00 39.64 39.09 2f3i n ILE 99 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2f3i n GLU 100 N -1.61 0.10 0.00 6.28 -0.00 -1.26 -4.61 120.64 119.53 2f3i n GLU 100 Ca 0.04 0.58 0.00 0.00 -0.00 0.00 0.00 57.16 57.78 2f3i n GLU 100 Cb 0.15 -1.93 0.00 0.00 -0.00 0.00 0.00 31.44 29.66 2f3i n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2f3i n GLY 101 N -1.32 0.69 0.10 -1.84 0.00 -1.26 -3.96 105.19 97.60 2f3i n GLY 101 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -3.09 1.61 2.03 -1.26 -4.39 116.55 111.44 2f3i n ASP 102 Ca 0.00 -1.14 -0.03 0.00 0.52 0.00 0.00 54.79 54.14 2f3i n ASP 102 Cb 0.00 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.00 -1.45 0.26 -0.67 2.13 -1.26 -4.97 120.64 114.68 2f3i n GLU 103 Ca 0.00 1.51 -0.16 0.00 0.66 0.00 0.00 57.16 59.17 2f3i n GLU 103 Cb 0.53 -5.49 -0.08 0.00 0.27 0.00 0.00 31.44 26.67 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 0.58 0.21 0.00 6.31 1.35 -1.97 -3.48 112.91 115.92 2f3i h THR 104 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2f3i h THR 104 Cb 1.03 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 2f3i h THR 104 CO 0.29 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.36 2f3i n SER 105 N -5.49 0.00 0.00 5.36 7.64 -1.26 -4.93 113.62 114.94 2f3i n SER 105 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2f3i n SER 105 Cb 0.39 0.00 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 0.00 0.00 0.23 0.44 -2.24 -1.26 -4.98 114.28 106.47 2f3i n THR 106 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2f3i n THR 106 Cb 0.00 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.20 -0.78 4.39 -1.99 -3.48 114.58 110.52 2f3i h GLU 107 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2f3i h GLU 107 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2f3i h GLU 107 CO 0.00 0.21 -0.23 0.00 -1.16 0.00 0.00 179.01 177.82 2f3i n ALA 108 N -2.43 -2.77 -0.69 3.43 0.00 -1.26 -5.02 120.51 111.77 2f3i n ALA 108 Ca -0.02 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 2f3i n ALA 108 Cb 0.28 -0.56 0.21 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.13 0.47 -0.12 0.00 0.00 -1.25 -4.86 121.76 115.86 2f3i s ALA 109 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 51.96 51.78 2f3i s ALA 109 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 2f3i s ALA 109 CO 0.00 -3.27 2.03 0.25 0.00 0.00 0.00 175.76 174.76 2f3i n THR 110 N -4.55 0.53 -1.88 0.00 -2.24 -1.26 -4.20 114.28 100.68 2f3i n THR 110 Ca 0.07 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2f3i n THR 110 Cb 0.54 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 2f3i n THR 110 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2f3i n ARG 111 N 7.56 -5.29 -2.71 -0.78 3.00 -1.26 -4.91 116.66 112.27 2f3i n ARG 111 Ca 0.26 3.84 -0.41 0.00 -0.01 0.00 0.00 57.85 61.53 2f3i n ARG 111 Cb 0.35 -4.25 -0.05 0.00 0.00 0.00 0.00 32.46 28.52 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 -2.33 4.53 -0.10 0.55 0.20 0.36 -4.53 118.68 117.35 2f3i s LEU 112 Ca 0.00 1.86 -0.01 0.00 0.69 0.00 0.00 54.13 56.67 2f3i s LEU 112 Cb 0.00 -3.59 -0.03 0.00 -0.43 0.00 0.00 46.19 42.14 2f3i s LEU 112 CO 0.00 -0.03 -0.05 -0.44 -0.29 0.00 0.00 176.35 175.54 2f3i s SER 113 N -0.26 4.78 0.11 3.68 0.01 -1.26 -1.81 113.70 118.94 2f3i s SER 113 Ca 0.46 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.75 2f3i s SER 113 Cb -0.24 -1.42 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 2f3i s SER 113 CO 0.31 0.30 -0.16 0.00 0.41 0.00 0.00 173.24 174.10 2f3i s ALA 114 N -0.45 1.53 -0.02 1.44 0.00 0.49 -4.50 121.76 120.25 2f3i s ALA 114 Ca 0.07 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.85 2f3i s ALA 114 Cb -0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 2f3i s ALA 114 CO 0.02 0.20 -0.09 0.71 0.00 0.00 0.00 175.76 176.60 2f3i s TYR 115 N -1.60 0.89 0.04 0.00 1.51 -1.26 -0.84 117.35 116.09 2f3i s TYR 115 Ca 0.05 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 2f3i s TYR 115 Cb -0.08 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 2f3i s TYR 115 CO 0.03 -0.06 -0.12 0.08 -1.11 0.00 0.00 175.55 174.38 2f3i s VAL 116 N 0.01 0.89 0.17 0.71 1.01 -0.58 -0.80 120.40 121.80 2f3i s VAL 116 Ca -0.00 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.05 2f3i s VAL 116 Cb -0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2f3i s VAL 116 CO 0.00 -0.13 -0.15 -0.44 0.00 0.00 0.00 175.10 174.38 2f3i s SER 117 N -1.27 2.40 0.94 3.32 0.01 -0.37 -1.31 113.70 117.42 2f3i s SER 117 Ca -0.02 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2f3i s SER 117 Cb -0.08 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2f3i s SER 117 CO 0.01 -0.15 0.00 -1.22 0.41 0.00 0.00 173.24 172.29 2f3i n TYR 118 N -0.00 0.00 -1.21 2.43 4.01 0.26 -0.96 117.16 121.70 2f3i n TYR 118 Ca -0.11 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.56 2f3i n TYR 118 Cb 0.59 0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.68 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 0.00 0.70 0.00 2.72 0.00 0.02 -1.51 105.19 107.12 2f3i n GLY 119 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.30 3.86 0.04 -0.02 0.00 -1.26 -4.75 105.19 103.35 2f3i n GLY 120 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2f3i n GLY 120 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2f3i n LEU 121 N 0.00 -0.01 -3.59 0.99 -0.00 -0.57 -4.31 117.00 109.51 2f3i n LEU 121 Ca 0.00 0.07 -0.16 0.00 -0.00 0.00 0.00 56.01 55.92 2f3i n LEU 121 Cb 0.00 0.08 -0.07 0.00 -0.00 0.00 0.00 43.42 43.44 2f3i n LEU 121 CO 0.00 -0.01 0.35 -0.22 -0.00 0.00 0.00 177.39 177.51 2f3i s LEU 122 N -3.44 -0.36 0.06 -1.96 2.96 -0.65 -0.57 118.68 114.71 2f3i s LEU 122 Ca 0.00 0.71 -0.13 0.00 -0.22 0.00 0.00 54.13 54.49 2f3i s LEU 122 Cb 0.00 2.26 0.02 0.00 0.50 0.00 0.00 46.19 48.96 2f3i s LEU 122 CO 0.00 -0.51 0.29 0.00 -1.32 0.00 0.00 176.35 174.80 2f3i s MET 123 N -0.94 0.84 0.01 1.98 0.23 -0.42 -0.18 119.30 120.81 2f3i s MET 123 Ca -0.09 -0.62 0.05 0.00 -1.03 0.00 0.00 55.69 54.00 2f3i s MET 123 Cb -0.02 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.62 2f3i s MET 123 CO 0.07 -0.27 -0.17 0.50 -2.03 0.00 0.00 175.02 173.12 2f3i s ARG 124 N -2.92 1.22 -0.03 3.16 3.52 -0.50 -1.53 118.95 121.88 2f3i s ARG 124 Ca -0.02 -0.70 -0.15 0.00 -0.13 0.00 0.00 55.73 54.73 2f3i s ARG 124 Cb 0.00 -1.23 0.02 0.00 -1.56 0.00 0.00 34.95 32.19 2f3i s ARG 124 CO -0.06 0.32 0.32 -1.17 -0.81 0.00 0.00 175.30 173.91 2f3i s LEU 125 N -0.75 0.81 -0.04 -0.88 2.96 -0.02 -0.34 118.68 120.41 2f3i s LEU 125 Ca 0.05 0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 54.07 2f3i s LEU 125 Cb -0.07 1.28 0.01 0.00 0.50 0.00 0.00 46.19 47.91 2f3i s LEU 125 CO 0.00 -0.41 0.15 0.00 -1.32 0.00 0.00 176.35 174.77 2f3i s GLN 126 N -1.16 0.28 -0.00 1.98 -2.07 -0.55 -0.38 119.66 117.76 2f3i s GLN 126 Ca -0.12 0.00 -0.28 0.00 -1.82 0.00 0.00 55.36 53.14 2f3i s GLN 126 Cb -0.05 0.13 0.10 0.00 -1.09 0.00 0.00 33.01 32.10 2f3i s GLN 126 CO 0.04 -0.05 1.27 0.20 -1.32 0.00 0.00 175.29 175.43 2f3i s GLY 127 N -0.42 -0.15 0.26 2.60 0.00 -0.75 -1.27 107.32 107.58 2f3i s GLY 127 Ca -0.05 0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.48 2f3i s GLY 127 CO 0.01 4.56 1.23 1.34 0.00 0.00 0.00 173.10 180.23 2f3i n ASP 128 N -0.99 2.08 0.23 1.64 2.03 -1.26 -0.49 116.55 119.79 2f3i n ASP 128 Ca 0.01 1.17 -0.15 0.00 0.52 0.00 0.00 54.79 56.34 2f3i n ASP 128 Cb 0.59 -1.36 -0.07 0.00 -0.72 0.00 0.00 41.12 39.56 2f3i n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2f3i h ALA 129 N 3.09 -0.70 -0.67 -1.67 0.00 -1.88 0.12 119.26 117.55 2f3i h ALA 129 Ca -0.43 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.42 2f3i h ALA 129 Cb 1.31 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 2f3i h ALA 129 CO 0.68 -0.93 0.38 -0.97 0.00 0.00 0.00 179.25 178.41 2f3i h ASN 130 N -0.69 0.57 0.06 0.00 -1.24 -1.99 -0.24 115.58 112.04 2f3i h ASN 130 Ca -0.03 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2f3i h ASN 130 Cb 0.61 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 2f3i h ASN 130 CO -0.03 0.37 -0.04 -1.13 -1.29 0.00 0.00 177.43 175.31 2f3i h ASN 131 N 0.71 0.00 0.91 1.15 -1.24 -1.85 -1.87 115.58 113.39 2f3i h ASN 131 Ca 0.30 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 57.14 2f3i h ASN 131 Cb 0.16 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 2f3i h ASN 131 CO -0.17 0.04 -0.80 0.25 -1.29 0.00 0.00 177.43 175.46 2f3i h LEU 132 N 0.00 0.00 1.23 0.34 7.12 0.11 -3.48 115.31 120.63 2f3i h LEU 132 Ca -0.00 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.81 2f3i h LEU 132 Cb 0.08 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.14 2f3i h LEU 132 CO 0.01 0.80 -0.19 1.57 -0.13 0.00 0.00 178.44 180.50 2f3i n HIS 133 N -3.50 -0.70 0.71 1.25 -0.00 -0.70 -4.85 115.22 107.43 2f3i n HIS 133 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.83 2f3i n HIS 133 Cb 0.80 -2.19 0.46 0.00 -0.00 0.00 0.00 29.99 29.06 2f3i n HIS 133 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2f3i n GLY 134 N -0.27 -1.30 0.29 1.57 0.00 -1.26 -2.51 105.19 101.71 2f3i n GLY 134 Ca -0.10 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 45.96 2f3i n GLY 134 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2f3i h PHE 135 N 0.00 0.08 -2.05 1.61 0.04 -1.89 -3.20 116.94 111.53 2f3i h PHE 135 Ca 0.00 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.09 2f3i h PHE 135 Cb 0.41 -0.03 -0.16 0.00 2.20 0.00 0.00 35.95 38.37 2f3i h PHE 135 CO 0.00 0.05 1.11 -1.21 -0.60 0.00 0.00 178.31 177.66 2f3i s GLU 136 N -5.13 3.70 0.00 1.51 0.41 -1.04 -4.87 118.70 113.28 2f3i s GLU 136 Ca -0.06 -1.80 0.00 0.00 -0.41 0.00 0.00 54.97 52.71 2f3i s GLU 136 Cb 0.18 -5.05 0.00 0.00 -1.78 0.00 0.00 34.13 27.47 2f3i s GLU 136 CO 0.69 -1.87 0.85 1.33 -0.49 0.00 0.00 175.26 175.76 2f3i n VAL 137 N 5.64 1.40 -1.09 2.63 0.24 -1.21 -1.18 118.33 124.75 2f3i n VAL 137 Ca 0.29 0.36 0.07 0.00 -2.04 0.00 0.00 64.34 63.02 2f3i n VAL 137 Cb 0.48 -1.36 0.10 0.00 -1.47 0.00 0.00 33.84 31.60 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2f3i n ASP 138 N -1.35 1.91 -0.01 -1.34 5.75 -1.26 -2.96 116.55 117.30 2f3i n ASP 138 Ca 0.00 -2.77 -0.00 0.00 -0.01 0.00 0.00 54.79 52.01 2f3i n ASP 138 Cb 0.01 -0.34 -0.00 0.00 -1.03 0.00 0.00 41.12 39.76 2f3i n ASP 138 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2f3i h SER 139 N 0.00 0.00 0.00 -1.12 0.02 -1.45 -3.41 113.55 107.59 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 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2f3i h SER 139 CO 0.00 0.06 0.00 -2.11 -1.14 0.00 0.00 176.83 173.64 2f3i n ARG 140 N -2.38 0.92 0.01 3.45 1.85 -1.26 -2.39 116.66 116.86 2f3i n ARG 140 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 2f3i n ARG 140 Cb 0.01 -1.08 0.18 0.00 -1.05 0.00 0.00 32.46 30.53 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 0.00 1.27 -3.00 8.89 -1.51 -1.82 -3.40 116.25 116.68 2f3i h VAL 141 Ca 0.00 -1.31 -0.58 0.00 -1.23 0.00 0.00 66.70 63.59 2f3i h VAL 141 Cb 0.08 1.37 -0.10 0.00 -2.13 0.00 0.00 31.29 30.51 2f3i h VAL 141 CO 0.00 0.42 0.82 -0.31 -1.23 0.00 0.00 177.57 177.26 2f3i s TYR 142 N -4.47 2.61 -0.08 5.19 2.02 -1.00 -1.46 117.35 120.17 2f3i s TYR 142 Ca -0.07 0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.77 2f3i s TYR 142 Cb 0.14 -4.37 -0.01 0.00 -0.40 0.00 0.00 41.96 37.31 2f3i s TYR 142 CO 0.80 -1.61 -0.20 -1.17 -1.57 0.00 0.00 175.55 171.81 2f3i s LEU 143 N 4.69 2.38 -0.01 -1.29 0.20 -0.57 -1.45 118.68 122.62 2f3i s LEU 143 Ca 0.35 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.77 2f3i s LEU 143 Cb -0.10 -1.48 0.01 0.00 -0.43 0.00 0.00 46.19 44.20 2f3i s LEU 143 CO 0.20 0.24 0.03 -0.22 -0.29 0.00 0.00 176.35 176.31 2f3i s LEU 144 N -0.14 1.56 0.03 -0.68 1.98 -0.52 -1.30 118.68 119.61 2f3i s LEU 144 Ca -0.03 0.05 0.01 0.00 -2.89 0.00 0.00 54.13 51.28 2f3i s LEU 144 Cb -0.14 0.03 -0.02 0.00 0.66 0.00 0.00 46.19 46.73 2f3i s LEU 144 CO 0.04 -0.06 -0.05 -0.04 -1.89 0.00 0.00 176.35 174.35 2f3i s MET 145 N 0.45 0.42 0.29 1.98 -1.94 -0.15 -0.75 119.30 119.59 2f3i s MET 145 Ca -0.04 -0.65 -0.14 0.00 -1.71 0.00 0.00 55.69 53.15 2f3i s MET 145 Cb -0.05 -0.11 0.01 0.00 2.01 0.00 0.00 34.83 36.69 2f3i s MET 145 CO -0.01 0.01 0.59 -1.59 -0.01 0.00 0.00 175.02 174.00 2f3i s LYS 146 N -1.44 1.77 0.96 2.03 -2.85 -0.67 -1.01 119.74 118.53 2f3i s LYS 146 Ca -0.12 -1.28 -0.13 0.00 -1.00 0.00 0.00 55.97 53.44 2f3i s LYS 146 Cb -0.09 0.53 0.06 0.00 -2.06 0.00 0.00 37.83 36.26 2f3i s LYS 146 CO -0.00 -0.77 0.50 0.36 0.10 0.00 0.00 175.35 175.54 2f3i n LYS 147 N -0.45 -0.39 -0.62 1.78 2.85 -1.26 -0.18 118.16 119.89 2f3i n LYS 147 Ca -0.03 -0.07 -0.31 0.00 -1.05 0.00 0.00 58.31 56.85 2f3i n LYS 147 Cb 0.61 -1.93 0.20 0.00 -0.65 0.00 0.00 35.03 33.26 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 -1.78 -0.77 -4.48 -5.58 -0.00 -1.21 -3.51 117.00 99.66 2f3i n LEU 148 Ca 0.07 0.02 -0.43 0.00 -0.00 0.00 0.00 56.01 55.67 2f3i n LEU 148 Cb 0.54 -1.19 -0.02 0.00 -0.00 0.00 0.00 43.42 42.75 2f3i n LEU 148 CO 0.50 -3.12 1.26 0.00 -0.00 0.00 0.00 177.39 176.04 2f3i s ALA 149 N -2.39 3.41 0.00 1.47 0.00 -1.26 -4.90 121.76 118.10 2f3i s ALA 149 Ca 0.62 -2.85 0.00 0.00 0.00 0.00 0.00 51.96 49.74 2f3i s ALA 149 Cb -0.20 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.71 2f3i s ALA 149 CO 0.65 -3.06 0.00 0.34 0.00 0.00 0.00 175.76 173.68