#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 -1.24 0.26 -5.12 0.00 -1.26 -4.88 120.51 108.26 2f3i n ALA 2 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.58 2f3i n ALA 2 Cb 0.00 -1.81 0.71 0.00 0.00 0.00 0.00 19.45 18.36 2f3i n ALA 2 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2f3i h GLY 3 N 0.41 0.00 -2.57 0.00 0.00 -1.86 -3.43 103.07 95.62 2f3i h GLY 3 Ca -0.44 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.70 2f3i h GLY 3 CO 0.48 0.00 -0.49 -1.50 0.00 0.00 0.00 176.54 175.03 2f3i s ILE 4 N -4.38 0.02 -0.07 2.60 1.10 -1.26 -5.11 121.20 114.10 2f3i s ILE 4 Ca -0.03 -1.82 -0.05 0.00 -0.51 0.00 0.00 60.65 58.24 2f3i s ILE 4 Cb 0.14 -2.33 0.03 0.00 0.15 0.00 0.00 42.46 40.45 2f3i s ILE 4 CO 0.60 -0.08 0.17 -0.22 -2.11 0.00 0.00 174.94 173.30 2f3i s LEU 5 N -3.10 1.07 0.12 8.50 1.98 -1.26 -4.92 118.68 121.07 2f3i s LEU 5 Ca 0.32 0.35 -0.04 0.00 -2.89 0.00 0.00 54.13 51.87 2f3i s LEU 5 Cb 0.05 0.54 -0.03 0.00 0.66 0.00 0.00 46.19 47.41 2f3i s LEU 5 CO 0.09 -0.10 0.12 0.72 -1.89 0.00 0.00 176.35 175.29 2f3i s PHE 6 N 0.52 0.58 -0.04 5.38 -0.12 -1.26 -5.06 117.98 117.98 2f3i s PHE 6 Ca -0.04 -0.99 -0.01 0.00 -0.05 0.00 0.00 56.93 55.84 2f3i s PHE 6 Cb -0.05 -0.30 0.03 0.00 -0.63 0.00 0.00 43.02 42.07 2f3i s PHE 6 CO -0.03 -0.55 0.04 -2.00 -0.05 0.00 0.00 175.22 172.64 2f3i s GLU 7 N -3.98 0.04 -0.05 1.99 2.12 -1.26 -3.55 118.70 114.02 2f3i s GLU 7 Ca 0.16 0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.74 2f3i s GLU 7 Cb 0.06 -0.47 0.03 0.00 0.26 0.00 0.00 34.13 34.01 2f3i s GLU 7 CO -0.03 -0.26 0.10 0.34 -0.54 0.00 0.00 175.26 174.88 2f3i s ASP 8 N 1.69 -0.06 -0.04 -1.70 2.15 -0.40 -4.94 116.67 113.37 2f3i s ASP 8 Ca -0.01 0.21 -0.28 0.00 0.43 0.00 0.00 52.55 52.89 2f3i s ASP 8 Cb -0.13 0.12 -0.03 0.00 -0.30 0.00 0.00 42.92 42.58 2f3i s ASP 8 CO -0.03 -0.12 0.91 -0.63 -0.17 0.00 0.00 175.17 175.13 2f3i s ILE 9 N 0.93 4.90 0.18 4.11 1.09 -1.26 -0.98 121.20 130.16 2f3i s ILE 9 Ca -0.07 1.89 -0.02 0.00 -1.10 0.00 0.00 60.65 61.35 2f3i s ILE 9 Cb -0.10 -4.24 -0.05 0.00 -1.06 0.00 0.00 42.46 37.01 2f3i s ILE 9 CO -0.04 0.16 0.37 -0.36 -0.10 0.00 0.00 174.94 174.97 2f3i s PHE 10 N 1.13 3.48 -0.15 3.97 0.40 0.57 -0.55 117.98 126.83 2f3i s PHE 10 Ca 0.47 0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 57.18 2f3i s PHE 10 Cb -0.20 -1.89 0.04 0.00 0.51 0.00 0.00 43.02 41.49 2f3i s PHE 10 CO 0.24 0.41 -0.01 0.34 0.70 0.00 0.00 175.22 176.89 2f3i s ASP 11 N -2.93 2.53 -0.07 1.36 2.15 0.06 -1.29 116.67 118.48 2f3i s ASP 11 Ca 0.39 -0.56 -0.30 0.00 0.43 0.00 0.00 52.55 52.51 2f3i s ASP 11 Cb -0.11 -0.70 -0.04 0.00 -0.30 0.00 0.00 42.92 41.76 2f3i s ASP 11 CO 0.28 -0.22 1.41 -0.69 -0.17 0.00 0.00 175.17 175.78 2f3i s VAL 12 N 1.78 3.89 -0.06 1.11 1.01 -0.97 -1.30 120.40 125.87 2f3i s VAL 12 Ca 0.01 1.17 -0.13 0.00 0.00 0.00 0.00 61.98 63.03 2f3i s VAL 12 Cb -0.15 -3.75 -0.30 0.00 0.00 0.00 0.00 36.38 32.18 2f3i s VAL 12 CO -0.07 -0.06 0.65 0.11 0.00 0.00 0.00 175.10 175.73 2f3i h LYS 13 N 8.37 0.35 -3.10 2.72 1.79 -0.84 -3.42 116.57 122.44 2f3i h LYS 13 Ca -0.34 -0.60 0.02 0.00 -2.18 0.00 0.00 60.65 57.55 2f3i h LYS 13 Cb 1.15 0.22 -0.08 0.00 -1.58 0.00 0.00 32.23 31.95 2f3i h LYS 13 CO 0.94 1.29 0.16 0.34 -1.08 0.00 0.00 179.45 181.10 2f3i s ASP 14 N -7.22 -0.32 0.00 0.86 2.15 -0.67 -4.92 116.67 106.56 2f3i s ASP 14 Ca -0.17 -0.46 0.01 0.00 0.43 0.00 0.00 52.55 52.36 2f3i s ASP 14 Cb 0.05 0.66 -0.01 0.00 -0.30 0.00 0.00 42.92 43.32 2f3i s ASP 14 CO 0.83 -1.19 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.97 2f3i s ILE 15 N -3.88 0.32 -0.37 4.11 1.09 -1.26 -1.37 121.20 119.84 2f3i s ILE 15 Ca 0.09 -0.27 0.02 0.00 -1.10 0.00 0.00 60.65 59.39 2f3i s ILE 15 Cb -0.03 -0.29 0.15 0.00 -1.06 0.00 0.00 42.46 41.23 2f3i s ILE 15 CO 0.00 0.03 0.34 -0.62 -0.10 0.00 0.00 174.94 174.59 2f3i s ASP 16 N -0.27 1.61 0.39 3.58 2.15 0.30 -4.98 116.67 119.46 2f3i s ASP 16 Ca -0.00 -1.86 -0.26 0.00 0.43 0.00 0.00 52.55 50.85 2f3i s ASP 16 Cb -0.03 0.27 -0.09 0.00 -0.30 0.00 0.00 42.92 42.77 2f3i s ASP 16 CO -0.00 -0.26 1.29 -2.84 -0.17 0.00 0.00 175.17 173.19 2f3i s PRO 17 N 1.21 4.05 0.06 4.34 0.02 -1.26 -1.54 135.00 141.89 2f3i s PRO 17 Ca 0.19 2.14 -0.12 0.00 0.02 0.00 0.00 61.00 63.24 2f3i s PRO 17 Cb -0.16 -2.81 -0.27 0.00 0.02 0.00 0.00 34.50 31.27 2f3i s PRO 17 CO -0.02 -0.42 1.12 0.93 -0.33 0.00 0.00 177.00 178.28 2f3i h GLU 18 N 2.81 0.51 0.00 5.54 4.39 -1.97 -3.46 114.58 122.41 2f3i h GLU 18 Ca -0.49 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 58.48 2f3i h GLU 18 Cb 1.24 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2f3i h GLU 18 CO 0.63 1.33 0.00 0.41 -1.16 0.00 0.00 179.01 180.22 2f3i n GLY 19 N 1.41 0.00 3.66 -3.84 0.00 -1.26 -5.13 105.19 100.03 2f3i n GLY 19 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 4.16 0.08 1.61 -0.14 -1.26 -4.92 119.74 119.27 2f3i s LYS 20 Ca 0.00 2.43 -0.20 0.00 -1.36 0.00 0.00 55.97 56.84 2f3i s LYS 20 Cb 0.00 -4.04 -0.09 0.00 -1.68 0.00 0.00 37.83 32.02 2f3i s LYS 20 CO 0.00 -0.90 1.56 -0.22 -0.76 0.00 0.00 175.35 175.04 2f3i h LYS 21 N 9.97 0.35 0.00 1.68 1.63 -2.00 -3.25 116.57 124.95 2f3i h LYS 21 Ca -0.45 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 2f3i h LYS 21 Cb 1.21 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2f3i h LYS 21 CO 0.95 0.49 -0.06 0.74 -3.45 0.00 0.00 179.45 178.11 2f3i h PHE 22 N 0.16 0.00 -6.50 1.91 0.04 -1.96 -3.48 116.94 107.11 2f3i h PHE 22 Ca 0.07 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.32 2f3i h PHE 22 Cb 0.30 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 38.27 2f3i h PHE 22 CO 0.02 0.00 -0.77 -3.47 -0.60 0.00 0.00 178.31 173.49 2f3i n ASP 23 N -2.95 -3.40 0.00 2.17 2.03 -1.23 -4.81 116.55 108.36 2f3i n ASP 23 Ca 0.04 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.47 2f3i n ASP 23 Cb 0.52 -2.79 0.00 0.00 -0.72 0.00 0.00 41.12 38.13 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 -4.24 0.00 -3.86 -0.67 1.85 -1.26 -4.93 116.66 103.55 2f3i n ARG 24 Ca 0.07 -0.36 -0.15 0.00 -1.00 0.00 0.00 57.85 56.41 2f3i n ARG 24 Cb 0.50 -0.43 -0.15 0.00 -1.05 0.00 0.00 32.46 31.32 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 0.00 0.04 0.24 8.89 1.01 -1.26 -0.52 120.40 128.80 2f3i s VAL 25 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2f3i s VAL 25 Cb 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.28 2f3i s VAL 25 CO 0.00 0.08 0.59 -0.44 0.00 0.00 0.00 175.10 175.33 2f3i s SER 26 N 0.69 -0.22 0.50 3.32 0.01 -0.21 -4.84 113.70 112.94 2f3i s SER 26 Ca -0.06 -0.64 -0.20 0.00 1.31 0.00 0.00 55.95 56.35 2f3i s SER 26 Cb -0.09 0.64 -0.07 0.00 0.21 0.00 0.00 66.02 66.71 2f3i s SER 26 CO -0.02 -1.19 1.09 -0.60 0.41 0.00 0.00 173.24 172.93 2f3i s ARG 27 N -3.93 3.64 0.09 12.44 3.52 -0.59 -1.63 118.95 132.49 2f3i s ARG 27 Ca 0.13 1.52 0.02 0.00 -0.13 0.00 0.00 55.73 57.28 2f3i s ARG 27 Cb -0.03 -2.12 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 2f3i s ARG 27 CO 0.04 -0.60 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.36 2f3i s LEU 28 N -3.50 2.46 -0.06 -0.88 1.02 0.33 -0.54 118.68 117.51 2f3i s LEU 28 Ca 0.68 -0.92 0.00 0.00 0.02 0.00 0.00 54.13 53.92 2f3i s LEU 28 Cb -0.21 -0.09 0.02 0.00 0.02 0.00 0.00 46.19 45.93 2f3i s LEU 28 CO 0.25 -0.42 -0.05 -2.28 0.02 0.00 0.00 176.35 173.88 2f3i s HIS 29 N -3.20 0.92 0.20 0.29 5.65 -0.47 -1.22 115.29 117.45 2f3i s HIS 29 Ca 0.08 -0.32 -0.03 0.00 0.25 0.00 0.00 55.06 55.04 2f3i s HIS 29 Cb 0.02 -0.84 -0.03 0.00 -1.18 0.00 0.00 32.58 30.55 2f3i s HIS 29 CO -0.04 -0.29 0.18 0.00 -0.65 0.00 0.00 174.74 173.94 2f3i s GLU 31 N -4.13 0.31 0.08 0.00 2.12 -0.42 -1.25 118.70 115.41 2f3i s GLU 31 Ca 0.35 -0.13 -0.30 0.00 0.36 0.00 0.00 54.97 55.25 2f3i s GLU 31 Cb 0.06 0.13 -0.06 0.00 0.26 0.00 0.00 34.13 34.52 2f3i s GLU 31 CO 0.11 -0.06 1.13 -1.12 -0.54 0.00 0.00 175.26 174.78 2f3i s SER 32 N -0.67 7.18 0.42 -1.70 0.01 -0.33 -0.76 113.70 117.85 2f3i s SER 32 Ca -0.08 1.96 0.23 0.00 1.31 0.00 0.00 55.95 59.38 2f3i s SER 32 Cb -0.05 -2.58 0.37 0.00 0.21 0.00 0.00 66.02 63.97 2f3i s SER 32 CO 0.01 -0.36 1.61 -0.33 0.41 0.00 0.00 173.24 174.57 2f3i h GLU 33 N 6.37 0.00 0.00 12.44 4.39 -1.16 -3.32 114.58 133.30 2f3i h GLU 33 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2f3i h GLU 33 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2f3i h GLU 33 CO 0.78 0.00 -0.89 -1.13 -1.16 0.00 0.00 179.01 176.61 2f3i n SER 34 N -3.02 3.90 -0.57 1.42 3.41 -1.26 -4.80 113.62 112.71 2f3i n SER 34 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.73 2f3i n SER 34 Cb 0.52 0.17 0.20 0.00 -0.26 0.00 0.00 64.21 64.85 2f3i n SER 34 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2f3i n PHE 35 N -2.17 0.52 -0.90 7.33 3.01 -1.26 -5.01 117.46 118.97 2f3i n PHE 35 Ca 0.00 -1.04 -0.02 0.00 1.01 0.00 0.00 57.45 57.40 2f3i n PHE 35 Cb 0.44 -0.26 -0.01 0.00 -0.01 0.00 0.00 39.48 39.64 2f3i n PHE 35 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2f3i n LYS 36 N -0.99 -1.25 -2.04 -1.08 2.85 -1.25 -4.66 118.16 109.74 2f3i n LYS 36 Ca 0.20 0.16 -0.35 0.00 -1.05 0.00 0.00 58.31 57.27 2f3i n LYS 36 Cb 0.79 -3.97 0.03 0.00 -0.65 0.00 0.00 35.03 31.23 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 -1.88 3.06 -0.16 -1.58 -1.94 -1.26 -4.68 119.30 110.86 2f3i s MET 37 Ca 0.00 1.66 -0.02 0.00 -1.71 0.00 0.00 55.69 55.62 2f3i s MET 37 Cb 0.00 -1.96 -0.02 0.00 2.01 0.00 0.00 34.83 34.86 2f3i s MET 37 CO 0.00 -1.10 -0.09 0.34 -0.01 0.00 0.00 175.02 174.16 2f3i s ASP 38 N -1.86 4.27 0.05 3.03 2.15 0.12 -1.19 116.67 123.24 2f3i s ASP 38 Ca 0.74 -0.29 0.02 0.00 0.43 0.00 0.00 52.55 53.44 2f3i s ASP 38 Cb -0.26 -1.68 -0.03 0.00 -0.30 0.00 0.00 42.92 40.65 2f3i s ASP 38 CO 0.32 0.12 -0.07 -0.76 -0.17 0.00 0.00 175.17 174.62 2f3i s LEU 39 N 0.61 2.28 0.04 -1.34 1.02 -0.38 -1.19 118.68 119.72 2f3i s LEU 39 Ca -0.05 -0.59 0.08 0.00 0.02 0.00 0.00 54.13 53.59 2f3i s LEU 39 Cb -0.15 -0.14 -0.03 0.00 0.02 0.00 0.00 46.19 45.89 2f3i s LEU 39 CO 0.03 -0.23 -0.23 -0.63 0.02 0.00 0.00 176.35 175.31 2f3i s ILE 40 N -1.59 1.82 0.08 -0.59 -1.09 0.51 -1.00 121.20 119.34 2f3i s ILE 40 Ca -0.08 -1.25 -0.05 0.00 -2.23 0.00 0.00 60.65 57.04 2f3i s ILE 40 Cb -0.09 -1.57 -0.02 0.00 -1.58 0.00 0.00 42.46 39.20 2f3i s ILE 40 CO -0.00 0.27 0.08 -0.76 -1.23 0.00 0.00 174.94 173.30 2f3i s LEU 41 N -1.17 1.91 -0.26 2.97 1.02 -0.36 -0.49 118.68 122.30 2f3i s LEU 41 Ca 0.09 -0.86 -0.04 0.00 0.02 0.00 0.00 54.13 53.33 2f3i s LEU 41 Cb -0.09 0.61 0.09 0.00 0.02 0.00 0.00 46.19 46.82 2f3i s LEU 41 CO 0.02 -0.68 0.12 -0.62 0.02 0.00 0.00 176.35 175.21 2f3i s ASP 42 N -2.91 3.17 0.21 2.29 2.15 0.19 -0.51 116.67 121.27 2f3i s ASP 42 Ca 0.08 -1.09 -0.06 0.00 0.43 0.00 0.00 52.55 51.91 2f3i s ASP 42 Cb 0.06 -0.30 -0.03 0.00 -0.30 0.00 0.00 42.92 42.36 2f3i s ASP 42 CO -0.09 -0.41 0.25 0.68 -0.17 0.00 0.00 175.17 175.43 2f3i s VAL 43 N 2.12 0.01 0.27 1.11 -7.23 -0.64 -1.68 120.40 114.35 2f3i s VAL 43 Ca 0.07 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.20 2f3i s VAL 43 Cb -0.16 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.36 2f3i s VAL 43 CO -0.29 -0.05 1.42 0.54 -0.31 0.00 0.00 175.10 176.40 2f3i s ASN 44 N -3.09 6.66 0.00 4.85 4.22 -1.26 -1.04 114.94 125.28 2f3i s ASN 44 Ca 0.31 2.69 0.09 0.00 -2.14 0.00 0.00 52.86 53.80 2f3i s ASN 44 Cb 0.04 -2.63 0.21 0.00 1.28 0.00 0.00 41.25 40.15 2f3i s ASN 44 CO 0.09 -0.68 1.11 2.30 -2.04 0.00 0.00 177.10 177.89 2f3i n ILE 45 N 2.00 0.77 0.31 0.54 -6.64 0.32 -4.39 119.36 112.27 2f3i n ILE 45 Ca 0.05 -0.88 0.18 0.00 -1.77 0.00 0.00 62.75 60.33 2f3i n ILE 45 Cb 0.40 0.66 1.03 0.00 -1.44 0.00 0.00 39.64 40.30 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 1.71 0.00 0.00 6.28 3.07 -1.92 0.86 115.11 125.11 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 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.17 2f3i h GLN 46 CO 0.00 0.00 -0.30 0.82 0.09 0.00 0.00 178.83 179.44 2f3i h ILE 47 N 0.00 0.90 -2.13 1.86 2.04 -1.93 -3.36 117.51 114.89 2f3i h ILE 47 Ca 0.00 -1.18 -0.58 0.00 1.00 0.00 0.00 64.86 64.10 2f3i h ILE 47 Cb 0.04 1.70 -0.41 0.00 -0.74 0.00 0.00 36.82 37.41 2f3i h ILE 47 CO -0.00 0.30 -0.81 -1.22 0.00 0.00 0.00 178.15 176.42 2f3i n TYR 48 N -3.72 2.15 1.34 1.37 4.01 0.29 -4.90 117.16 117.71 2f3i n TYR 48 Ca -0.01 -3.92 0.04 0.00 -0.16 0.00 0.00 57.90 53.84 2f3i n TYR 48 Cb 0.41 -0.47 0.23 0.00 -0.31 0.00 0.00 39.34 39.19 2f3i n TYR 48 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2f3i n PRO 49 N 0.86 0.67 -4.05 -0.72 -0.04 -1.23 -4.74 135.00 125.75 2f3i n PRO 49 Ca 0.27 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2f3i n PRO 49 Cb 0.46 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.63 2f3i n PRO 49 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2f3i s VAL 50 N -2.00 0.43 0.56 0.52 -7.23 -1.26 -5.05 120.40 106.38 2f3i s VAL 50 Ca 0.12 -0.95 0.27 0.00 -1.81 0.00 0.00 61.98 59.61 2f3i s VAL 50 Cb 0.05 -0.50 0.33 0.00 0.56 0.00 0.00 36.38 36.82 2f3i s VAL 50 CO 0.09 -0.35 2.22 -0.78 -0.31 0.00 0.00 175.10 175.97 2f3i h ASP 51 N 4.70 0.00 0.08 4.85 3.58 -2.01 -1.07 116.42 126.55 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 1.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 2f3i h ASP 51 CO 0.42 0.02 -0.02 0.25 -2.88 0.00 0.00 179.24 177.03 2f3i h LEU 52 N 0.00 0.00 0.00 2.28 5.85 -1.95 -3.44 115.31 118.05 2f3i h LEU 52 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2f3i h LEU 52 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2f3i h LEU 52 CO 0.00 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 178.73 2f3i n GLY 53 N -1.14 -1.24 3.63 3.75 0.00 -0.41 -4.88 105.19 104.90 2f3i n GLY 53 Ca -0.03 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.00 0.16 0.21 1.61 2.15 -1.26 -4.87 116.67 110.67 2f3i s ASP 54 Ca 0.00 -1.07 -0.04 0.00 0.43 0.00 0.00 52.55 51.86 2f3i s ASP 54 Cb 0.00 0.67 -0.05 0.00 -0.30 0.00 0.00 42.92 43.23 2f3i s ASP 54 CO 0.00 -1.29 0.45 -0.54 -0.17 0.00 0.00 175.17 173.61 2f3i s LYS 55 N -3.48 3.62 0.26 4.34 1.02 -1.26 -2.29 119.74 121.95 2f3i s LYS 55 Ca 0.22 -0.09 -0.04 0.00 0.02 0.00 0.00 55.97 56.08 2f3i s LYS 55 Cb -0.02 -2.77 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2f3i s LYS 55 CO 0.12 0.36 0.42 0.34 -0.92 0.00 0.00 175.35 175.67 2f3i n PHE 56 N -0.41 -1.41 -4.07 3.18 7.35 -0.41 -4.55 117.46 117.13 2f3i n PHE 56 Ca -0.02 -1.60 -0.13 0.00 -0.76 0.00 0.00 57.45 54.93 2f3i n PHE 56 Cb 0.53 0.48 -0.12 0.00 0.35 0.00 0.00 39.48 40.71 2f3i n PHE 56 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 2f3i s ARG 57 N -2.43 0.44 0.04 -4.13 3.52 0.36 -0.32 118.95 116.44 2f3i s ARG 57 Ca 0.18 -0.52 0.06 0.00 -0.13 0.00 0.00 55.73 55.32 2f3i s ARG 57 Cb -0.02 -0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.08 2f3i s ARG 57 CO 0.13 0.06 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.34 2f3i s LEU 58 N -1.02 2.18 0.18 -0.88 0.20 -0.16 -1.57 118.68 117.60 2f3i s LEU 58 Ca -0.06 -0.49 -0.07 0.00 0.69 0.00 0.00 54.13 54.20 2f3i s LEU 58 Cb -0.07 -0.76 -0.02 0.00 -0.43 0.00 0.00 46.19 44.91 2f3i s LEU 58 CO 0.00 0.09 0.25 -0.69 -0.29 0.00 0.00 176.35 175.70 2f3i s VAL 59 N -0.84 0.05 -0.10 1.68 1.01 0.23 -1.27 120.40 121.15 2f3i s VAL 59 Ca 0.04 -1.59 0.16 0.00 0.00 0.00 0.00 61.98 60.59 2f3i s VAL 59 Cb -0.08 -2.06 0.35 0.00 0.00 0.00 0.00 36.38 34.59 2f3i s VAL 59 CO 0.02 -0.22 1.16 2.30 0.00 0.00 0.00 175.10 178.36 2f3i n ILE 60 N -0.23 1.15 1.28 2.22 -5.35 -1.23 -0.97 119.36 116.23 2f3i n ILE 60 Ca -0.04 -1.94 0.02 0.00 -0.27 0.00 0.00 62.75 60.51 2f3i n ILE 60 Cb 0.63 0.26 0.06 0.00 -1.74 0.00 0.00 39.64 38.86 2f3i n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2f3i n ALA 61 N -0.50 2.57 0.41 -1.28 0.00 -1.26 -4.63 120.51 115.81 2f3i n ALA 61 Ca 0.12 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.30 2f3i n ALA 61 Cb 0.83 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 19.34 2f3i n ALA 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2f3i n SER 62 N -0.04 0.00 -1.40 0.00 7.64 -1.26 -4.33 113.62 114.23 2f3i n SER 62 Ca 0.05 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2f3i n SER 62 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2f3i n SER 62 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2f3i n THR 63 N -0.66 0.63 0.30 0.44 -2.24 -1.26 -3.96 114.28 107.53 2f3i n THR 63 Ca 0.02 -0.11 0.16 0.00 -2.27 0.00 0.00 64.05 61.85 2f3i n THR 63 Cb 0.01 -0.96 0.95 0.00 -2.10 0.00 0.00 70.33 68.22 2f3i n THR 63 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2f3i h LEU 64 N 2.60 0.00 -0.10 3.22 5.85 -2.01 -3.46 115.31 121.41 2f3i h LEU 64 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 2f3i h LEU 64 Cb 0.42 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2f3i h LEU 64 CO 0.00 0.01 -0.21 0.00 -0.34 0.00 0.00 178.44 177.90 2f3i n TYR 65 N -3.72 -0.77 -0.46 1.25 9.36 -1.25 -4.39 117.16 117.18 2f3i n TYR 65 Ca -0.03 0.41 -0.02 0.00 3.32 0.00 0.00 57.90 61.59 2f3i n TYR 65 Cb 0.09 -0.70 -0.02 0.00 -0.63 0.00 0.00 39.34 38.08 2f3i n TYR 65 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 2f3i n GLU 66 N -2.72 0.91 0.31 2.98 0.28 -1.26 -4.64 120.64 116.50 2f3i n GLU 66 Ca -0.01 -0.13 0.18 0.00 -0.16 0.00 0.00 57.16 57.04 2f3i n GLU 66 Cb 0.14 -1.24 0.99 0.00 1.43 0.00 0.00 31.44 32.75 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 1.99 0.00 0.08 -1.84 3.58 -1.94 -0.28 116.42 118.01 2f3i h ASP 67 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2f3i h ASP 67 Cb 0.85 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2f3i h ASP 67 CO 0.05 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 2f3i n GLY 68 N -0.94 -0.45 0.22 -0.78 0.00 -1.25 -1.77 105.19 100.22 2f3i n GLY 68 Ca -0.02 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.15 -3.22 2.61 2.02 -1.36 -3.41 112.91 110.71 2f3i h THR 69 Ca 0.00 -0.72 -0.53 0.00 0.77 0.00 0.00 66.41 65.94 2f3i h THR 69 Cb 0.04 1.37 0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2f3i h THR 69 CO 0.00 0.21 0.63 -0.76 0.37 0.00 0.00 175.52 175.97 2f3i s LEU 70 N -8.60 4.39 -1.25 2.58 1.43 -0.73 -4.90 118.68 111.61 2f3i s LEU 70 Ca -0.04 2.23 -0.09 0.00 -1.03 0.00 0.00 54.13 55.20 2f3i s LEU 70 Cb 0.16 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.72 2f3i s LEU 70 CO 0.70 -0.52 2.48 -0.67 0.23 0.00 0.00 176.35 178.58 2f3i n ASP 71 N 3.44 6.48 -0.18 2.29 2.03 -1.26 -3.36 116.55 126.00 2f3i n ASP 71 Ca 0.08 -2.47 0.00 0.00 0.52 0.00 0.00 54.79 52.93 2f3i n ASP 71 Cb 0.44 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 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 4.14 0.00 0.00 1.67 2.03 -1.26 -5.01 116.55 118.11 2f3i n ASP 72 Ca 0.60 -1.26 0.00 0.00 0.52 0.00 0.00 54.79 54.65 2f3i n ASP 72 Cb 0.20 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 2f3i n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f3i n GLY 73 N 0.00 2.26 3.54 0.27 0.00 -1.21 -4.78 105.19 105.26 2f3i n GLY 73 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2f3i n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f3i s GLU 74 N 0.00 0.68 -0.00 1.61 2.12 -1.26 -3.92 118.70 117.93 2f3i s GLU 74 Ca 0.00 -0.10 0.08 0.00 0.36 0.00 0.00 54.97 55.31 2f3i s GLU 74 Cb 0.00 0.32 0.13 0.00 0.26 0.00 0.00 34.13 34.84 2f3i s GLU 74 CO 0.00 -0.27 1.05 0.98 -0.54 0.00 0.00 175.26 176.49 2f3i n TYR 75 N 0.17 0.00 -3.65 5.30 9.36 -1.26 -4.94 117.16 122.14 2f3i n TYR 75 Ca -0.08 -0.16 -0.28 0.00 3.32 0.00 0.00 57.90 60.70 2f3i n TYR 75 Cb 0.60 -0.08 -0.11 0.00 -0.63 0.00 0.00 39.34 39.11 2f3i n TYR 75 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2f3i s ASN 76 N -1.32 3.15 0.45 2.98 0.01 -1.26 -4.96 114.94 113.99 2f3i s ASN 76 Ca 0.11 -3.38 0.31 0.00 -0.71 0.00 0.00 52.86 49.19 2f3i s ASN 76 Cb 0.12 -1.02 1.59 0.00 0.41 0.00 0.00 41.25 42.35 2f3i s ASN 76 CO -0.05 -0.14 1.94 1.55 -1.51 0.00 0.00 177.10 178.89 2f3i h PRO 77 N 5.63 0.00 -0.09 -0.60 0.13 -2.01 -1.92 132.00 133.14 2f3i h PRO 77 Ca 0.19 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.35 2f3i h PRO 77 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2f3i h PRO 77 CO 0.53 0.00 0.27 1.15 -0.23 0.00 0.00 178.00 179.72 2f3i h THR 78 N 0.00 0.14 0.00 1.56 2.02 -1.93 0.11 112.91 114.82 2f3i h THR 78 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2f3i h THR 78 Cb 0.11 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2f3i h THR 78 CO 0.00 0.00 0.00 -0.78 0.37 0.00 0.00 175.52 175.11 2f3i h ASP 79 N 0.00 0.00 0.00 4.18 3.58 -1.74 -3.33 116.42 119.11 2f3i h ASP 79 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2f3i h ASP 79 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2f3i h ASP 79 CO -0.00 0.00 -0.76 -0.67 -2.88 0.00 0.00 179.24 174.93 2f3i n ASP 80 N -2.56 3.74 -4.68 2.28 2.03 -0.00 -3.81 116.55 113.55 2f3i n ASP 80 Ca 0.01 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.88 2f3i n ASP 80 Cb 0.20 0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 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 -1.69 2.67 -2.54 -0.67 1.74 0.18 -2.62 116.66 113.74 2f3i n ARG 81 Ca 0.00 0.98 -0.07 0.00 -0.77 0.00 0.00 57.85 57.99 2f3i n ARG 81 Cb 0.38 -2.87 -0.02 0.00 -1.02 0.00 0.00 32.46 28.93 2f3i n ARG 81 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2f3i n PRO 82 N 6.21 -0.97 -3.77 5.56 -0.02 -1.26 -4.83 135.00 135.92 2f3i n PRO 82 Ca 0.19 0.02 -0.09 0.00 -2.02 0.00 0.00 63.50 61.60 2f3i n PRO 82 Cb 0.36 -0.78 -0.06 0.00 -0.02 0.00 0.00 33.50 33.00 2f3i n PRO 82 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2f3i s SER 83 N -2.52 -0.03 0.26 2.55 0.01 -1.08 -5.14 113.70 107.75 2f3i s SER 83 Ca 0.07 -0.53 -0.05 0.00 1.31 0.00 0.00 55.95 56.75 2f3i s SER 83 Cb -0.04 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 2f3i s SER 83 CO 0.20 -0.79 0.34 -0.13 0.41 0.00 0.00 173.24 173.26 2f3i s ARG 84 N -3.84 1.52 0.21 12.44 0.52 -1.25 -4.36 118.95 124.18 2f3i s ARG 84 Ca 0.05 -1.55 0.16 0.00 -0.52 0.00 0.00 55.73 53.86 2f3i s ARG 84 Cb 0.03 0.38 0.81 0.00 0.52 0.00 0.00 34.95 36.69 2f3i s ARG 84 CO -0.11 -0.59 1.48 0.00 0.02 0.00 0.00 175.30 176.11 2f3i n ALA 85 N -0.40 1.15 0.22 2.13 0.00 -1.26 -2.81 120.51 119.54 2f3i n ALA 85 Ca 0.01 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.64 2f3i n ALA 85 Cb 0.63 -1.24 0.40 0.00 0.00 0.00 0.00 19.45 19.25 2f3i n ALA 85 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2f3i h ASP 86 N 0.00 0.00 -0.75 0.00 3.58 -1.98 -1.70 116.42 115.57 2f3i h ASP 86 Ca 0.00 0.00 0.22 0.00 0.42 0.00 0.00 57.03 57.67 2f3i h ASP 86 Cb 0.06 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2f3i h ASP 86 CO 0.00 0.00 0.66 1.56 -2.88 0.00 0.00 179.24 178.58 2f3i h GLN 87 N 0.00 0.00 -4.13 0.28 4.20 -1.96 -3.44 115.11 110.07 2f3i h GLN 87 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 2f3i h GLN 87 Cb 0.85 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.51 2f3i h GLN 87 CO 0.00 0.00 -0.33 -0.59 -0.67 0.00 0.00 178.83 177.24 2f3i s PHE 88 N -4.76 0.83 0.00 2.96 -0.12 -0.64 -5.04 117.98 111.21 2f3i s PHE 88 Ca -0.04 -1.10 0.00 0.00 -0.05 0.00 0.00 56.93 55.74 2f3i s PHE 88 Cb 0.18 -0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.40 2f3i s PHE 88 CO 0.65 -0.88 0.00 -1.91 -0.05 0.00 0.00 175.22 173.03 2f3i n GLU 89 N -0.38 2.57 -3.84 1.99 2.13 -0.80 -4.98 120.64 117.32 2f3i n GLU 89 Ca 0.01 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.71 2f3i n GLU 89 Cb 0.63 -1.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.23 2f3i n GLU 89 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2f3i s TYR 90 N -2.00 -0.08 -0.10 4.31 6.14 -0.53 -5.01 117.35 120.08 2f3i s TYR 90 Ca 0.00 0.17 -0.11 0.00 0.64 0.00 0.00 57.07 57.77 2f3i s TYR 90 Cb 0.00 0.01 0.03 0.00 0.42 0.00 0.00 41.96 42.42 2f3i s TYR 90 CO 0.00 -0.19 0.31 0.54 0.64 0.00 0.00 175.55 176.85 2f3i s VAL 91 N -0.63 0.01 0.32 3.14 0.11 -1.26 -0.96 120.40 121.12 2f3i s VAL 91 Ca -0.07 -0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 58.73 2f3i s VAL 91 Cb -0.04 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.38 2f3i s VAL 91 CO 0.01 -0.04 0.73 -0.32 -3.33 0.00 0.00 175.10 172.15 2f3i s MET 92 N -0.03 1.96 0.04 1.54 0.00 0.16 -4.99 119.30 117.98 2f3i s MET 92 Ca -0.02 -1.19 0.03 0.00 0.00 0.00 0.00 55.69 54.50 2f3i s MET 92 Cb -0.03 0.61 -0.02 0.00 0.00 0.00 0.00 34.83 35.39 2f3i s MET 92 CO 0.01 -0.90 -0.09 0.71 0.00 0.00 0.00 175.02 174.75 2f3i s TYR 93 N -3.28 0.75 0.00 4.11 1.51 -1.26 -1.57 117.35 117.62 2f3i s TYR 93 Ca 0.14 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 2f3i s TYR 93 Cb -0.05 -0.45 0.00 0.00 -0.11 0.00 0.00 41.96 41.35 2f3i s TYR 93 CO 0.09 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 2f3i n GLY 94 N 1.75 3.29 2.88 0.71 0.00 -0.30 -3.09 105.19 110.43 2f3i n GLY 94 Ca -0.20 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 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 1.28 0.96 0.20 1.61 2.20 0.19 -4.73 119.74 121.45 2f3i s LYS 95 Ca 0.00 -0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.44 2f3i s LYS 95 Cb 0.00 -1.04 -0.06 0.00 -1.51 0.00 0.00 37.83 35.22 2f3i s LYS 95 CO 0.00 -0.15 0.47 0.08 -0.36 0.00 0.00 175.35 175.39 2f3i s VAL 96 N 1.27 5.05 0.07 4.02 1.01 -1.22 -1.52 120.40 129.09 2f3i s VAL 96 Ca -0.05 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2f3i s VAL 96 Cb -0.14 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2f3i s VAL 96 CO -0.02 -0.05 -0.08 -0.31 0.00 0.00 0.00 175.10 174.63 2f3i s TYR 97 N -1.78 0.86 0.17 5.22 1.51 0.20 -4.78 117.35 118.76 2f3i s TYR 97 Ca 0.44 -0.67 -0.19 0.00 -1.01 0.00 0.00 57.07 55.64 2f3i s TYR 97 Cb -0.12 -0.50 0.04 0.00 -0.11 0.00 0.00 41.96 41.28 2f3i s TYR 97 CO 0.24 -0.08 0.52 -0.98 -1.11 0.00 0.00 175.55 174.15 2f3i s ARG 98 N -2.60 1.28 0.95 -0.62 1.04 -1.26 -0.66 118.95 117.08 2f3i s ARG 98 Ca 0.01 -0.69 -0.15 0.00 -1.04 0.00 0.00 55.73 53.85 2f3i s ARG 98 Cb -0.03 0.53 0.19 0.00 -2.04 0.00 0.00 34.95 33.60 2f3i s ARG 98 CO -0.01 -0.54 1.31 0.96 -0.04 0.00 0.00 175.30 176.98 2f3i s ILE 99 N -3.81 2.00 -1.67 4.99 -4.36 -0.60 -4.98 121.20 112.77 2f3i s ILE 99 Ca 0.05 -0.02 0.26 0.00 -0.26 0.00 0.00 60.65 60.68 2f3i s ILE 99 Cb -0.00 -2.99 0.59 0.00 1.25 0.00 0.00 42.46 41.30 2f3i s ILE 99 CO -0.08 0.00 1.91 -1.84 0.24 0.00 0.00 174.94 175.16 2f3i n GLU 100 N -3.72 0.57 -0.53 0.37 0.28 -1.26 -4.83 120.64 111.52 2f3i n GLU 100 Ca 0.15 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 2f3i n GLU 100 Cb 0.59 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.96 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 0.81 0.75 3.09 -1.84 0.00 -1.26 -5.04 105.19 101.70 2f3i n GLY 101 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2f3i n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3i s ASP 102 N -2.62 2.63 -0.28 1.61 -1.08 -1.26 -1.04 116.67 114.63 2f3i s ASP 102 Ca 0.00 -0.48 0.21 0.00 -0.52 0.00 0.00 52.55 51.76 2f3i s ASP 102 Cb 0.00 -1.19 0.49 0.00 -1.46 0.00 0.00 42.92 40.77 2f3i s ASP 102 CO 0.00 0.04 1.07 1.21 0.52 0.00 0.00 175.17 178.01 2f3i n GLU 103 N 4.15 1.69 0.00 4.34 2.13 -1.26 -4.87 120.64 126.82 2f3i n GLU 103 Ca -0.19 -3.49 0.00 0.00 0.66 0.00 0.00 57.16 54.14 2f3i n GLU 103 Cb 0.51 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.67 2f3i n GLU 103 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2f3i n THR 104 N -0.47 0.00 0.03 6.31 -1.04 -1.26 -4.91 114.28 112.94 2f3i n THR 104 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2f3i n THR 104 Cb 0.81 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 2f3i n THR 104 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2f3i n SER 105 N -2.17 -0.51 0.00 8.00 3.41 -1.26 -4.94 113.62 116.15 2f3i n SER 105 Ca 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2f3i n SER 105 Cb 0.05 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 2f3i n SER 105 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2f3i n THR 106 N -2.89 0.00 0.32 6.66 -2.24 -1.26 -5.00 114.28 109.87 2f3i n THR 106 Ca 0.00 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.99 2f3i n THR 106 Cb 0.00 0.00 1.05 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.24 -0.78 5.08 -1.96 -3.48 114.58 112.21 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 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2f3i n ALA 108 N -2.09 -2.25 -0.99 3.43 0.00 -1.26 -5.05 120.51 112.30 2f3i n ALA 108 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 2f3i n ALA 108 Cb 0.15 -0.13 0.14 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 1.55 -1.38 0.00 0.00 -0.21 -4.90 121.76 116.82 2f3i s ALA 109 Ca 0.00 0.25 0.17 0.00 0.00 0.00 0.00 51.96 52.38 2f3i s ALA 109 Cb 0.00 -3.31 0.84 0.00 0.00 0.00 0.00 23.12 20.65 2f3i s ALA 109 CO 0.00 -2.45 1.51 0.25 0.00 0.00 0.00 175.76 175.07 2f3i n THR 110 N -3.99 0.54 -4.09 0.00 -2.24 -1.26 -4.54 114.28 98.70 2f3i n THR 110 Ca 0.09 0.14 -0.14 0.00 -2.27 0.00 0.00 64.05 61.86 2f3i n THR 110 Cb 0.53 -0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 67.78 2f3i n THR 110 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f3i s ARG 111 N -2.62 0.44 0.32 -0.78 3.00 -1.26 -4.44 118.95 113.61 2f3i s ARG 111 Ca 0.15 -0.43 -0.09 0.00 0.00 0.00 0.00 55.73 55.35 2f3i s ARG 111 Cb 0.11 -0.31 -0.07 0.00 0.00 0.00 0.00 34.95 34.69 2f3i s ARG 111 CO 0.26 0.07 0.66 -1.17 0.00 0.00 0.00 175.30 175.12 2f3i s LEU 112 N -0.78 4.00 0.04 2.53 2.96 0.46 -4.83 118.68 123.06 2f3i s LEU 112 Ca -0.04 0.99 0.06 0.00 -0.22 0.00 0.00 54.13 54.93 2f3i s LEU 112 Cb -0.06 -3.82 -0.02 0.00 0.50 0.00 0.00 46.19 42.79 2f3i s LEU 112 CO 0.00 -0.24 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.16 2f3i s SER 113 N -2.85 2.20 0.09 3.68 0.01 -1.26 -1.39 113.70 114.18 2f3i s SER 113 Ca 0.49 -0.50 -0.08 0.00 1.31 0.00 0.00 55.95 57.17 2f3i s SER 113 Cb -0.11 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 65.95 2f3i s SER 113 CO 0.27 0.12 0.17 0.00 0.41 0.00 0.00 173.24 174.21 2f3i s ALA 114 N -0.81 -0.17 0.15 1.44 0.00 -0.25 -1.55 121.76 120.56 2f3i s ALA 114 Ca 0.06 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.40 2f3i s ALA 114 Cb -0.08 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2f3i s ALA 114 CO 0.02 -0.50 -0.12 0.71 0.00 0.00 0.00 175.76 175.87 2f3i s TYR 115 N -3.87 1.35 -0.13 0.00 2.02 0.16 -0.65 117.35 116.24 2f3i s TYR 115 Ca 0.05 -0.68 -0.10 0.00 -0.37 0.00 0.00 57.07 55.97 2f3i s TYR 115 Cb 0.05 -0.68 0.04 0.00 -0.40 0.00 0.00 41.96 40.97 2f3i s TYR 115 CO -0.11 0.14 0.33 0.54 -1.57 0.00 0.00 175.55 174.88 2f3i s VAL 116 N -2.96 -0.01 -0.09 0.71 0.11 -0.56 -0.62 120.40 116.97 2f3i s VAL 116 Ca 0.15 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 2f3i s VAL 116 Cb 0.00 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2f3i s VAL 116 CO 0.02 0.02 -0.19 -0.55 -3.33 0.00 0.00 175.10 171.07 2f3i s SER 117 N 0.62 2.54 -0.17 3.54 0.15 -0.58 -0.87 113.70 118.94 2f3i s SER 117 Ca -0.04 -0.45 -0.07 0.00 0.70 0.00 0.00 55.95 56.09 2f3i s SER 117 Cb -0.05 -1.16 0.08 0.00 -1.71 0.00 0.00 66.02 63.17 2f3i s SER 117 CO -0.04 0.09 0.37 -0.72 1.20 0.00 0.00 173.24 174.14 2f3i s TYR 118 N 0.56 -0.64 -1.54 3.44 1.13 -0.16 -0.64 117.35 119.50 2f3i s TYR 118 Ca -0.15 1.30 0.00 0.00 -1.41 0.00 0.00 57.07 56.81 2f3i s TYR 118 Cb -0.17 0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.89 2f3i s TYR 118 CO 0.05 -0.41 0.00 0.41 -2.51 0.00 0.00 175.55 173.09 2f3i n GLY 119 N 5.08 1.11 1.10 5.49 0.00 -1.18 -0.75 105.19 116.03 2f3i n GLY 119 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.38 0.87 3.96 -0.02 0.00 -1.26 -5.07 105.19 103.29 2f3i n GLY 120 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 3.78 0.04 0.99 2.01 0.07 -5.04 118.68 120.53 2f3i s LEU 121 Ca 0.00 0.18 -0.06 0.00 0.01 0.00 0.00 54.13 54.26 2f3i s LEU 121 Cb 0.00 -3.07 -0.01 0.00 0.01 0.00 0.00 46.19 43.12 2f3i s LEU 121 CO 0.00 -0.58 0.10 -0.22 1.01 0.00 0.00 176.35 176.65 2f3i s LEU 122 N -4.43 1.80 0.02 1.79 2.96 -0.68 -0.99 118.68 119.16 2f3i s LEU 122 Ca 0.46 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 2f3i s LEU 122 Cb -0.10 0.62 -0.01 0.00 0.50 0.00 0.00 46.19 47.21 2f3i s LEU 122 CO 0.36 -0.53 0.11 -0.04 -1.32 0.00 0.00 176.35 174.93 2f3i s MET 123 N -2.76 0.52 -0.01 1.98 -1.94 -0.05 -0.63 119.30 116.41 2f3i s MET 123 Ca -0.04 -0.57 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 2f3i s MET 123 Cb -0.00 0.21 0.01 0.00 2.01 0.00 0.00 34.83 37.06 2f3i s MET 123 CO -0.05 -0.13 -0.01 1.03 -0.01 0.00 0.00 175.02 175.85 2f3i s ARG 124 N -1.93 0.25 0.23 2.03 0.52 0.36 -1.50 118.95 118.91 2f3i s ARG 124 Ca -0.11 -0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 54.92 2f3i s ARG 124 Cb -0.05 -0.33 0.02 0.00 0.52 0.00 0.00 34.95 35.10 2f3i s ARG 124 CO -0.01 -0.03 0.55 -0.48 0.02 0.00 0.00 175.30 175.35 2f3i s LEU 125 N 0.44 0.07 0.11 2.53 2.34 0.18 -0.36 118.68 123.99 2f3i s LEU 125 Ca -0.04 -0.64 0.03 0.00 0.06 0.00 0.00 54.13 53.54 2f3i s LEU 125 Cb -0.07 2.16 -0.04 0.00 -0.56 0.00 0.00 46.19 47.68 2f3i s LEU 125 CO -0.01 -1.14 -0.08 0.00 -1.06 0.00 0.00 176.35 174.06 2f3i s GLN 126 N -3.93 0.90 -0.05 1.48 -2.07 -0.33 -1.10 119.66 114.57 2f3i s GLN 126 Ca 0.13 -1.36 -0.31 0.00 -1.82 0.00 0.00 55.36 52.01 2f3i s GLN 126 Cb -0.02 -0.35 0.11 0.00 -1.09 0.00 0.00 33.01 31.67 2f3i s GLN 126 CO 0.03 0.01 1.12 0.20 -1.32 0.00 0.00 175.29 175.33 2f3i s GLY 127 N -3.04 -0.35 0.30 2.60 0.00 -0.49 -0.71 107.32 105.64 2f3i s GLY 127 Ca 0.13 0.99 -0.29 0.00 0.00 0.00 0.00 44.72 45.55 2f3i s GLY 127 CO -0.03 0.30 1.38 1.34 0.00 0.00 0.00 173.10 176.09 2f3i n ASP 128 N -0.29 2.97 -0.17 1.64 2.03 -1.26 -0.40 116.55 121.07 2f3i n ASP 128 Ca -0.05 1.18 -0.13 0.00 0.52 0.00 0.00 54.79 56.31 2f3i n ASP 128 Cb 0.61 -1.49 -0.10 0.00 -0.72 0.00 0.00 41.12 39.42 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 3.41 -0.75 0.00 -1.67 0.00 -1.88 0.21 119.26 118.58 2f3i h ALA 129 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2f3i h ALA 129 Cb 1.27 1.15 0.00 0.00 0.00 0.00 0.00 17.79 20.21 2f3i h ALA 129 CO 0.69 -1.03 0.00 0.27 0.00 0.00 0.00 179.25 179.18 2f3i n ASN 130 N -5.29 0.00 0.06 0.00 6.94 -1.26 -1.16 115.26 114.54 2f3i n ASN 130 Ca -0.03 -0.08 0.08 0.00 -0.02 0.00 0.00 54.58 54.53 2f3i n ASN 130 Cb 0.32 -0.25 -0.06 0.00 -2.36 0.00 0.00 39.78 37.43 2f3i n ASN 130 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2f3i n ASN 131 N -1.25 0.63 0.25 0.53 3.02 0.44 -3.80 115.26 115.08 2f3i n ASN 131 Ca 0.10 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 55.03 2f3i n ASN 131 Cb 0.15 0.75 0.62 0.00 -0.61 0.00 0.00 39.78 40.69 2f3i n ASN 131 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2f3i h LEU 132 N 0.00 0.00 0.71 3.41 6.46 0.79 -3.46 115.31 123.22 2f3i h LEU 132 Ca -0.05 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.40 2f3i h LEU 132 Cb 1.16 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 40.96 2f3i h LEU 132 CO 0.01 0.16 -0.45 1.57 -0.62 0.00 0.00 178.44 179.11 2f3i n HIS 133 N -3.46 -1.67 0.00 1.25 -0.00 -1.21 -4.59 115.22 105.54 2f3i n HIS 133 Ca -0.01 0.34 0.00 0.00 0.46 0.00 0.00 57.72 58.51 2f3i n HIS 133 Cb 0.33 -2.02 0.00 0.00 -0.12 0.00 0.00 29.99 28.18 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 -0.90 0.00 0.15 1.57 0.00 -1.26 -4.67 105.19 100.08 2f3i n GLY 134 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2f3i n GLY 134 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2f3i n PHE 135 N 0.00 0.80 -1.65 1.61 1.16 -1.26 -4.55 117.46 113.56 2f3i n PHE 135 Ca 0.00 0.35 -0.39 0.00 -1.87 0.00 0.00 57.45 55.54 2f3i n PHE 135 Cb 0.00 -1.07 -0.03 0.00 -1.61 0.00 0.00 39.48 36.77 2f3i n PHE 135 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2f3i s GLU 136 N -3.42 2.55 0.00 3.97 2.02 -1.26 -4.85 118.70 117.71 2f3i s GLU 136 Ca 0.01 1.52 0.00 0.00 0.02 0.00 0.00 54.97 56.52 2f3i s GLU 136 Cb 0.08 -4.47 0.00 0.00 0.10 0.00 0.00 34.13 29.84 2f3i s GLU 136 CO 0.31 -2.77 0.84 1.33 0.02 0.00 0.00 175.26 174.99 2f3i n VAL 137 N 7.81 1.38 -1.85 2.63 0.24 -1.26 -1.24 118.33 126.03 2f3i n VAL 137 Ca 0.32 0.49 0.04 0.00 -2.04 0.00 0.00 64.34 63.15 2f3i n VAL 137 Cb 0.51 -1.49 0.06 0.00 -1.47 0.00 0.00 33.84 31.45 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 -1.34 0.93 -0.05 -1.34 2.03 -1.26 -3.40 116.55 112.11 2f3i n ASP 138 Ca 0.00 -2.45 -0.09 0.00 0.52 0.00 0.00 54.79 52.77 2f3i n ASP 138 Cb 0.15 -0.31 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 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 -0.34 1.60 -0.09 1.67 7.64 -0.38 -4.62 113.62 119.11 2f3i n SER 139 Ca 0.07 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2f3i n SER 139 Cb 0.78 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 -4.09 0.79 -0.26 1.43 1.85 -1.21 -2.11 116.66 113.07 2f3i n ARG 140 Ca -0.14 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.66 2f3i n ARG 140 Cb 0.43 -1.07 0.11 0.00 -1.05 0.00 0.00 32.46 30.87 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 1.25 -2.73 8.89 -1.51 -1.83 -3.39 116.25 116.93 2f3i h VAL 141 Ca 0.00 -0.78 -0.56 0.00 -1.23 0.00 0.00 66.70 64.13 2f3i h VAL 141 Cb 0.07 0.35 -0.02 0.00 -2.13 0.00 0.00 31.29 29.56 2f3i h VAL 141 CO 0.00 0.32 1.03 -0.31 -1.23 0.00 0.00 177.57 177.38 2f3i s TYR 142 N -5.52 2.29 -0.02 5.19 2.02 -0.90 -1.15 117.35 119.26 2f3i s TYR 142 Ca -0.12 0.51 0.01 0.00 -0.37 0.00 0.00 57.07 57.10 2f3i s TYR 142 Cb 0.16 -3.79 0.01 0.00 -0.40 0.00 0.00 41.96 37.94 2f3i s TYR 142 CO 0.83 -3.02 -0.03 -1.17 -1.57 0.00 0.00 175.55 170.59 2f3i s LEU 143 N 3.99 1.60 -0.05 -1.29 0.20 -0.61 -4.44 118.68 118.08 2f3i s LEU 143 Ca 0.67 -0.08 -0.05 0.00 0.69 0.00 0.00 54.13 55.36 2f3i s LEU 143 Cb -0.28 -0.28 0.01 0.00 -0.43 0.00 0.00 46.19 45.21 2f3i s LEU 143 CO 0.24 -0.02 0.14 -0.22 -0.29 0.00 0.00 176.35 176.21 2f3i s LEU 144 N 0.46 1.46 0.03 -0.68 0.20 -0.14 -0.66 118.68 119.35 2f3i s LEU 144 Ca -0.05 0.26 -0.02 0.00 0.69 0.00 0.00 54.13 55.02 2f3i s LEU 144 Cb -0.08 0.49 -0.02 0.00 -0.43 0.00 0.00 46.19 46.15 2f3i s LEU 144 CO -0.01 -0.06 0.00 0.00 -0.29 0.00 0.00 176.35 175.99 2f3i s MET 145 N 0.01 0.47 0.16 1.98 0.23 -0.14 -0.60 119.30 121.42 2f3i s MET 145 Ca -0.01 -0.83 -0.22 0.00 -1.03 0.00 0.00 55.69 53.60 2f3i s MET 145 Cb -0.01 0.17 0.06 0.00 -1.53 0.00 0.00 34.83 33.52 2f3i s MET 145 CO 0.00 -0.09 0.58 0.21 -2.03 0.00 0.00 175.02 173.69 2f3i s LYS 146 N -2.49 1.29 0.91 3.16 2.20 -0.61 -1.46 119.74 122.74 2f3i s LYS 146 Ca -0.06 -0.53 -0.13 0.00 -0.36 0.00 0.00 55.97 54.89 2f3i s LYS 146 Cb -0.02 0.58 0.06 0.00 -1.51 0.00 0.00 37.83 36.93 2f3i s LYS 146 CO -0.05 -0.56 0.64 0.36 -0.36 0.00 0.00 175.35 175.38 2f3i n LYS 147 N -0.37 -0.23 -1.18 4.03 2.85 -1.26 -0.49 118.16 121.52 2f3i n LYS 147 Ca -0.16 -0.01 -0.29 0.00 -1.05 0.00 0.00 58.31 56.79 2f3i n LYS 147 Cb 0.64 -2.01 0.15 0.00 -0.65 0.00 0.00 35.03 33.16 2f3i n LYS 147 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2f3i s LEU 148 N -2.52 2.10 -0.17 -5.58 0.05 -1.26 -4.42 118.68 106.87 2f3i s LEU 148 Ca 0.61 1.43 0.22 0.00 0.05 0.00 0.00 54.13 56.44 2f3i s LEU 148 Cb -0.24 -3.79 0.45 0.00 -2.05 0.00 0.00 46.19 40.57 2f3i s LEU 148 CO 0.63 -2.77 1.16 0.00 -0.55 0.00 0.00 176.35 174.82 2f3i n ALA 149 N -3.97 2.60 -1.34 1.48 0.00 -1.26 -5.02 120.51 113.00 2f3i n ALA 149 Ca 0.07 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.14 2f3i n ALA 149 Cb 0.56 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2f3i n ALA 149 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84