#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 3.74 0.00 3.04 0.00 -1.26 -4.78 120.51 121.25 2f3i n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2f3i n ALA 2 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2f3i n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f3i n GLY 3 N 1.53 -1.27 3.72 0.00 0.00 -1.26 -5.15 105.19 102.76 2f3i n GLY 3 Ca 0.00 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 2f3i n GLY 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2f3i s ILE 4 N -2.42 2.44 -0.02 -0.61 2.07 -1.26 -5.05 121.20 116.34 2f3i s ILE 4 Ca 0.00 0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.45 2f3i s ILE 4 Cb 0.00 -2.60 0.00 0.00 0.13 0.00 0.00 42.46 39.99 2f3i s ILE 4 CO 0.00 -0.14 -0.07 -0.22 -1.91 0.00 0.00 174.94 172.59 2f3i s LEU 5 N -5.58 1.75 0.00 8.50 1.98 -1.26 -4.86 118.68 119.22 2f3i s LEU 5 Ca 0.70 -0.16 -0.11 0.00 -2.89 0.00 0.00 54.13 51.68 2f3i s LEU 5 Cb -0.25 -0.47 0.01 0.00 0.66 0.00 0.00 46.19 46.14 2f3i s LEU 5 CO 0.49 0.05 0.22 0.12 -1.89 0.00 0.00 176.35 175.34 2f3i s PHE 6 N 0.24 -0.05 -0.14 5.38 5.36 -1.26 -5.00 117.98 122.51 2f3i s PHE 6 Ca -0.03 0.01 -0.17 0.00 -0.96 0.00 0.00 56.93 55.77 2f3i s PHE 6 Cb -0.08 0.02 0.04 0.00 -0.34 0.00 0.00 43.02 42.66 2f3i s PHE 6 CO 0.00 -0.36 0.46 -2.00 -1.46 0.00 0.00 175.22 171.86 2f3i s GLU 7 N -1.60 0.60 0.13 10.12 2.12 -1.26 -1.05 118.70 127.76 2f3i s GLU 7 Ca -0.12 0.48 -0.22 0.00 0.36 0.00 0.00 54.97 55.47 2f3i s GLU 7 Cb -0.05 0.29 0.06 0.00 0.26 0.00 0.00 34.13 34.69 2f3i s GLU 7 CO 0.02 -0.10 0.56 0.34 -0.54 0.00 0.00 175.26 175.53 2f3i s ASP 8 N -0.12 -0.51 0.48 -1.70 2.15 -0.61 -5.02 116.67 111.35 2f3i s ASP 8 Ca -0.03 0.01 -0.20 0.00 0.43 0.00 0.00 52.55 52.75 2f3i s ASP 8 Cb -0.03 0.56 -0.09 0.00 -0.30 0.00 0.00 42.92 43.06 2f3i s ASP 8 CO 0.02 -0.91 1.02 -0.63 -0.17 0.00 0.00 175.17 174.50 2f3i s ILE 9 N -3.49 3.95 0.10 4.11 1.09 -1.26 -1.05 121.20 124.65 2f3i s ILE 9 Ca 0.00 1.19 0.04 0.00 -1.10 0.00 0.00 60.65 60.78 2f3i s ILE 9 Cb -0.00 -3.49 -0.03 0.00 -1.06 0.00 0.00 42.46 37.87 2f3i s ILE 9 CO -0.10 -0.29 -0.12 -0.36 -0.10 0.00 0.00 174.94 173.97 2f3i s PHE 10 N -2.07 1.16 -0.10 3.97 0.40 0.31 -0.63 117.98 121.01 2f3i s PHE 10 Ca 0.66 -0.59 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2f3i s PHE 10 Cb -0.14 -0.63 0.02 0.00 0.51 0.00 0.00 43.02 42.78 2f3i s PHE 10 CO 0.20 0.04 -0.09 0.34 0.70 0.00 0.00 175.22 176.40 2f3i s ASP 11 N -2.32 2.10 -0.54 1.36 -1.08 -0.23 -1.47 116.67 114.49 2f3i s ASP 11 Ca 0.05 -0.32 -0.28 0.00 -0.52 0.00 0.00 52.55 51.48 2f3i s ASP 11 Cb -0.05 -0.86 0.01 0.00 -1.46 0.00 0.00 42.92 40.56 2f3i s ASP 11 CO 0.01 -0.07 1.43 -0.69 0.52 0.00 0.00 175.17 176.37 2f3i s VAL 12 N 1.38 3.79 0.14 1.11 1.01 0.13 -1.42 120.40 126.55 2f3i s VAL 12 Ca -0.01 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 2f3i s VAL 12 Cb -0.14 -4.38 -0.11 0.00 0.00 0.00 0.00 36.38 31.75 2f3i s VAL 12 CO -0.05 -1.09 1.39 0.11 0.00 0.00 0.00 175.10 175.47 2f3i h LYS 13 N 11.15 0.65 -3.03 2.72 1.79 -0.89 -3.33 116.57 125.62 2f3i h LYS 13 Ca -0.27 -0.49 0.04 0.00 -2.18 0.00 0.00 60.65 57.75 2f3i h LYS 13 Cb 1.10 0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 31.77 2f3i h LYS 13 CO 1.16 1.11 0.21 0.34 -1.08 0.00 0.00 179.45 181.19 2f3i s ASP 14 N -7.02 -0.32 -0.01 0.86 2.15 -0.53 -4.85 116.67 106.96 2f3i s ASP 14 Ca -0.08 -0.48 0.03 0.00 0.43 0.00 0.00 52.55 52.44 2f3i s ASP 14 Cb 0.10 0.69 -0.01 0.00 -0.30 0.00 0.00 42.92 43.40 2f3i s ASP 14 CO 0.87 -1.25 -0.09 -0.63 -0.17 0.00 0.00 175.17 173.90 2f3i s ILE 15 N -3.88 0.70 -0.35 4.11 1.09 -1.26 -1.45 121.20 120.16 2f3i s ILE 15 Ca 0.09 -0.40 0.01 0.00 -1.10 0.00 0.00 60.65 59.26 2f3i s ILE 15 Cb -0.05 -0.59 0.15 0.00 -1.06 0.00 0.00 42.46 40.91 2f3i s ILE 15 CO 0.02 0.19 0.32 -0.62 -0.10 0.00 0.00 174.94 174.75 2f3i s ASP 16 N -0.24 1.68 0.00 3.58 2.15 0.28 -4.98 116.67 119.14 2f3i s ASP 16 Ca 0.03 -1.48 0.00 0.00 0.43 0.00 0.00 52.55 51.53 2f3i s ASP 16 Cb -0.04 0.35 0.00 0.00 -0.30 0.00 0.00 42.92 42.94 2f3i s ASP 16 CO -0.00 -0.31 0.17 -2.65 -0.17 0.00 0.00 175.17 172.22 2f3i n PRO 17 N 4.50 0.21 -1.05 4.34 -0.02 -1.26 -1.17 135.00 140.55 2f3i n PRO 17 Ca 0.07 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.36 2f3i n PRO 17 Cb 0.44 -1.04 -0.12 0.00 -0.02 0.00 0.00 33.50 32.76 2f3i n PRO 17 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2f3i n GLU 18 N -0.18 2.42 -1.92 -0.52 -0.58 -1.26 -3.78 120.64 114.82 2f3i n GLU 18 Ca 0.00 -1.32 -0.01 0.00 -0.42 0.00 0.00 57.16 55.41 2f3i n GLU 18 Cb 0.02 -2.22 0.03 0.00 -0.57 0.00 0.00 31.44 28.69 2f3i n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2f3i n GLY 19 N 2.86 -0.26 2.91 0.62 0.00 -1.26 -4.74 105.19 105.32 2f3i n GLY 19 Ca 0.52 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 2f3i n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2f3i n LYS 20 N -0.42 2.14 -0.31 1.61 4.76 -1.25 -3.55 118.16 121.14 2f3i n LYS 20 Ca -0.07 -2.15 0.08 0.00 -2.87 0.00 0.00 58.31 53.29 2f3i n LYS 20 Cb 0.61 -3.05 0.29 0.00 -1.84 0.00 0.00 35.03 31.04 2f3i n LYS 20 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2f3i h LYS 21 N 6.98 0.87 -4.04 1.97 1.63 -1.96 -3.43 116.57 118.58 2f3i h LYS 21 Ca 0.50 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 60.11 2f3i h LYS 21 Cb 0.63 -0.20 -0.12 0.00 -0.60 0.00 0.00 32.23 31.94 2f3i h LYS 21 CO 1.91 0.58 -0.34 -0.06 -3.45 0.00 0.00 179.45 178.09 2f3i s PHE 22 N -5.85 0.68 0.40 1.91 0.08 -1.26 -5.01 117.98 108.93 2f3i s PHE 22 Ca -0.11 -0.99 0.08 0.00 0.12 0.00 0.00 56.93 56.03 2f3i s PHE 22 Cb 0.22 -0.13 0.82 0.00 -0.57 0.00 0.00 43.02 43.36 2f3i s PHE 22 CO 0.80 -0.83 1.99 0.22 -0.10 0.00 0.00 175.22 177.30 2f3i h ASP 23 N 2.43 0.36 -0.14 1.36 3.58 -1.96 -1.14 116.42 120.91 2f3i h ASP 23 Ca -0.30 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2f3i h ASP 23 Cb 1.25 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2f3i h ASP 23 CO 0.44 0.37 0.00 -2.11 -2.88 0.00 0.00 179.24 175.06 2f3i n ARG 24 N -4.38 1.33 -5.02 0.28 1.85 -1.26 -4.83 116.66 104.63 2f3i n ARG 24 Ca 0.01 -0.51 -0.31 0.00 -1.00 0.00 0.00 57.85 56.05 2f3i n ARG 24 Cb 0.16 -1.13 -0.15 0.00 -1.05 0.00 0.00 32.46 30.29 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 -1.82 2.22 0.29 8.89 1.01 -0.43 -0.30 120.40 130.26 2f3i s VAL 25 Ca 0.11 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 2f3i s VAL 25 Cb 0.06 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 2f3i s VAL 25 CO 0.08 0.45 0.44 -0.44 0.00 0.00 0.00 175.10 175.63 2f3i s SER 26 N -1.02 0.45 0.33 3.32 0.01 -0.67 -4.07 113.70 112.05 2f3i s SER 26 Ca 0.11 -1.27 -0.17 0.00 1.31 0.00 0.00 55.95 55.93 2f3i s SER 26 Cb -0.10 0.60 -0.09 0.00 0.21 0.00 0.00 66.02 66.64 2f3i s SER 26 CO 0.01 -1.19 0.78 -0.60 0.41 0.00 0.00 173.24 172.65 2f3i s ARG 27 N -3.52 4.09 0.03 12.44 3.52 -0.32 -1.49 118.95 133.70 2f3i s ARG 27 Ca 0.28 0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 56.68 2f3i s ARG 27 Cb 0.00 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.93 2f3i s ARG 27 CO 0.15 0.15 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.24 2f3i s LEU 28 N -2.90 2.33 -0.07 -0.88 2.01 0.76 -0.55 118.68 119.37 2f3i s LEU 28 Ca 0.55 -0.68 0.01 0.00 0.01 0.00 0.00 54.13 54.01 2f3i s LEU 28 Cb -0.11 0.10 0.02 0.00 0.01 0.00 0.00 46.19 46.21 2f3i s LEU 28 CO 0.17 -0.39 -0.08 -2.28 1.01 0.00 0.00 176.35 174.78 2f3i s HIS 29 N -2.32 1.22 0.16 0.29 5.65 -0.53 -1.63 115.29 118.14 2f3i s HIS 29 Ca -0.07 -0.47 -0.04 0.00 0.25 0.00 0.00 55.06 54.73 2f3i s HIS 29 Cb -0.04 -0.98 -0.03 0.00 -1.18 0.00 0.00 32.58 30.35 2f3i s HIS 29 CO -0.04 -0.32 0.17 0.00 -0.65 0.00 0.00 174.74 173.90 2f3i s GLU 31 N -4.05 0.20 0.24 0.00 2.12 -0.50 -1.58 118.70 115.12 2f3i s GLU 31 Ca 0.26 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.53 2f3i s GLU 31 Cb 0.06 0.09 -0.09 0.00 0.26 0.00 0.00 34.13 34.45 2f3i s GLU 31 CO 0.04 -0.03 1.19 -1.12 -0.54 0.00 0.00 175.26 174.80 2f3i s SER 32 N 0.11 7.09 0.31 -1.70 0.01 -1.14 -1.07 113.70 117.31 2f3i s SER 32 Ca -0.00 2.32 0.07 0.00 1.31 0.00 0.00 55.95 59.65 2f3i s SER 32 Cb -0.01 -2.62 0.50 0.00 0.21 0.00 0.00 66.02 64.10 2f3i s SER 32 CO 0.00 -0.33 1.73 -0.08 0.41 0.00 0.00 173.24 174.98 2f3i h GLU 33 N 4.53 0.26 0.00 12.44 4.57 -1.22 -3.15 114.58 132.00 2f3i h GLU 33 Ca -0.46 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 57.56 2f3i h GLU 33 Cb 1.21 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 2f3i h GLU 33 CO 0.71 0.58 -1.20 0.43 -1.18 0.00 0.00 179.01 178.36 2f3i n SER 34 N -4.07 4.25 -0.54 1.04 7.64 -1.26 -4.77 113.62 115.91 2f3i n SER 34 Ca -0.01 -0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.92 2f3i n SER 34 Cb 0.44 0.53 0.15 0.00 -1.01 0.00 0.00 64.21 64.33 2f3i n SER 34 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2f3i n PHE 35 N -2.14 0.46 -1.29 1.43 3.72 -1.26 -5.02 117.46 113.38 2f3i n PHE 35 Ca -0.05 -0.64 -0.06 0.00 -0.05 0.00 0.00 57.45 56.66 2f3i n PHE 35 Cb 0.59 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.08 -1.26 -1.93 -1.08 2.85 -1.19 -4.72 118.16 110.74 2f3i n LYS 36 Ca 0.12 0.35 -0.42 0.00 -1.05 0.00 0.00 58.31 57.31 2f3i n LYS 36 Cb 0.53 -4.50 -0.03 0.00 -0.65 0.00 0.00 35.03 30.38 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 -2.73 4.20 -0.23 -1.58 -1.94 -1.26 -4.77 119.30 110.99 2f3i s MET 37 Ca 0.00 2.33 -0.29 0.00 -1.71 0.00 0.00 55.69 56.02 2f3i s MET 37 Cb 0.00 -3.53 0.00 0.00 2.01 0.00 0.00 34.83 33.31 2f3i s MET 37 CO 0.00 -0.71 1.17 0.34 -0.01 0.00 0.00 175.02 175.80 2f3i s ASP 38 N 2.20 6.95 -0.06 3.03 2.15 -0.10 -2.89 116.67 127.95 2f3i s ASP 38 Ca 0.73 1.41 0.02 0.00 0.43 0.00 0.00 52.55 55.14 2f3i s ASP 38 Cb -0.40 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.69 2f3i s ASP 38 CO 0.32 -0.80 -0.12 -0.22 -0.17 0.00 0.00 175.17 174.18 2f3i s LEU 39 N 3.57 1.64 0.01 -1.34 2.96 -0.61 -1.55 118.68 123.35 2f3i s LEU 39 Ca 0.50 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.20 2f3i s LEU 39 Cb -0.17 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 2f3i s LEU 39 CO 0.13 0.03 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.34 2f3i s ILE 40 N 0.64 2.43 0.17 6.68 -1.09 0.03 -0.53 121.20 129.54 2f3i s ILE 40 Ca -0.14 -1.14 -0.18 0.00 -2.23 0.00 0.00 60.65 56.97 2f3i s ILE 40 Cb -0.15 -1.94 0.03 0.00 -1.58 0.00 0.00 42.46 38.82 2f3i s ILE 40 CO 0.03 0.47 0.50 -1.48 -1.23 0.00 0.00 174.94 173.23 2f3i s LEU 41 N -1.00 0.08 -0.28 2.97 2.34 -0.64 -0.49 118.68 121.66 2f3i s LEU 41 Ca 0.12 -0.39 0.01 0.00 0.06 0.00 0.00 54.13 53.94 2f3i s LEU 41 Cb -0.10 2.12 0.08 0.00 -0.56 0.00 0.00 46.19 47.73 2f3i s LEU 41 CO 0.02 -0.99 -0.00 -0.62 -1.06 0.00 0.00 176.35 173.69 2f3i s ASP 42 N -2.84 4.16 0.19 1.48 2.15 0.31 -0.17 116.67 121.94 2f3i s ASP 42 Ca 0.07 -1.52 -0.12 0.00 0.43 0.00 0.00 52.55 51.41 2f3i s ASP 42 Cb -0.00 -1.26 0.00 0.00 -0.30 0.00 0.00 42.92 41.36 2f3i s ASP 42 CO -0.06 -0.30 0.39 0.54 -0.17 0.00 0.00 175.17 175.56 2f3i s VAL 43 N 1.29 0.04 0.22 1.11 0.11 -0.56 -1.86 120.40 120.76 2f3i s VAL 43 Ca 0.01 -1.24 -0.32 0.00 -2.93 0.00 0.00 61.98 57.50 2f3i s VAL 43 Cb -0.19 -1.85 -0.13 0.00 -1.53 0.00 0.00 36.38 32.68 2f3i s VAL 43 CO -0.10 -0.18 1.50 -3.20 -3.33 0.00 0.00 175.10 169.78 2f3i n ASN 44 N -0.28 3.06 -0.56 3.54 5.15 -1.26 -1.67 115.26 123.24 2f3i n ASN 44 Ca -0.07 1.12 0.07 0.00 -0.60 0.00 0.00 54.58 55.10 2f3i n ASN 44 Cb 0.63 -1.46 0.06 0.00 -0.53 0.00 0.00 39.78 38.48 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 2.46 0.00 0.34 -1.44 -6.64 0.59 -4.53 119.36 110.15 2f3i n ILE 45 Ca 0.13 -0.50 0.11 0.00 -1.77 0.00 0.00 62.75 60.72 2f3i n ILE 45 Cb 0.32 1.29 0.49 0.00 -1.44 0.00 0.00 39.64 40.29 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 0.79 0.16 0.26 6.28 10.64 -1.26 -0.57 117.38 133.68 2f3i n GLN 46 Ca 0.08 0.47 0.10 0.00 -1.83 0.00 0.00 57.00 55.82 2f3i n GLN 46 Cb 0.35 -1.86 0.68 0.00 -0.86 0.00 0.00 30.24 28.56 2f3i n GLN 46 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2f3i h ILE 47 N 0.00 0.81 -2.44 -0.39 2.04 -1.95 -3.45 117.51 112.12 2f3i h ILE 47 Ca 0.00 -0.37 -0.60 0.00 1.00 0.00 0.00 64.86 64.89 2f3i h ILE 47 Cb 0.26 1.22 -0.13 0.00 -0.74 0.00 0.00 36.82 37.43 2f3i h ILE 47 CO 0.00 0.10 -0.72 -0.31 0.00 0.00 0.00 178.15 177.22 2f3i s TYR 48 N -4.56 2.49 -0.63 1.37 2.02 0.26 -5.04 117.35 113.26 2f3i s TYR 48 Ca -0.04 -0.28 0.26 0.00 -0.37 0.00 0.00 57.07 56.64 2f3i s TYR 48 Cb 0.15 -1.13 0.78 0.00 -0.40 0.00 0.00 41.96 41.36 2f3i s TYR 48 CO 0.62 0.63 1.75 -1.00 -1.57 0.00 0.00 175.55 175.98 2f3i h PRO 49 N 2.33 0.00 0.00 -1.71 0.13 -1.82 -3.48 132.00 127.46 2f3i h PRO 49 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2f3i h PRO 49 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2f3i h PRO 49 CO 0.58 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.68 2f3i n VAL 50 N -2.41 0.00 0.26 1.56 0.24 -1.26 -4.62 118.33 112.09 2f3i n VAL 50 Ca 0.05 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 2f3i n VAL 50 Cb 0.42 0.00 0.69 0.00 -1.47 0.00 0.00 33.84 33.48 2f3i n VAL 50 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2f3i h ASP 51 N 0.00 0.00 -5.15 -1.34 3.58 -2.01 -3.45 116.42 108.05 2f3i h ASP 51 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2f3i h ASP 51 Cb 0.00 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 40.93 2f3i h ASP 51 CO 0.00 0.12 -0.14 -0.22 -2.88 0.00 0.00 179.24 176.12 2f3i s LEU 52 N -6.96 0.56 1.01 2.28 2.96 -1.26 -5.17 118.68 112.10 2f3i s LEU 52 Ca -0.02 -0.59 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 2f3i s LEU 52 Cb 0.12 1.66 0.20 0.00 0.50 0.00 0.00 46.19 48.67 2f3i s LEU 52 CO 0.58 -0.93 1.10 -0.83 -1.32 0.00 0.00 176.35 174.95 2f3i s GLY 53 N -2.89 1.63 0.34 7.98 0.00 -1.26 -4.63 107.32 108.50 2f3i s GLY 53 Ca 0.10 0.30 -0.13 0.00 0.00 0.00 0.00 44.72 44.99 2f3i s GLY 53 CO -0.05 0.83 0.66 -0.35 0.00 0.00 0.00 173.10 174.19 2f3i s ASP 54 N -2.65 0.17 0.10 1.64 2.15 -1.25 -4.96 116.67 111.87 2f3i s ASP 54 Ca 0.67 -1.12 0.07 0.00 0.43 0.00 0.00 52.55 52.61 2f3i s ASP 54 Cb -0.23 0.75 -0.03 0.00 -0.30 0.00 0.00 42.92 43.11 2f3i s ASP 54 CO 0.60 -1.47 -0.18 -0.54 -0.17 0.00 0.00 175.17 173.41 2f3i s LYS 55 N -2.96 1.04 0.36 4.34 1.02 -1.26 -0.69 119.74 121.58 2f3i s LYS 55 Ca 0.19 -1.12 -0.08 0.00 0.02 0.00 0.00 55.97 54.98 2f3i s LYS 55 Cb -0.04 -1.20 0.02 0.00 -0.52 0.00 0.00 37.83 36.10 2f3i s LYS 55 CO 0.13 0.27 0.59 -0.59 -0.92 0.00 0.00 175.35 174.83 2f3i s PHE 56 N -1.31 0.69 0.03 3.18 -0.71 -0.54 -4.47 117.98 114.84 2f3i s PHE 56 Ca 0.05 -1.09 0.05 0.00 -1.04 0.00 0.00 56.93 54.90 2f3i s PHE 56 Cb -0.09 0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2f3i s PHE 56 CO 0.04 -1.29 -0.15 0.50 -1.34 0.00 0.00 175.22 172.97 2f3i s ARG 57 N -2.82 1.03 -0.01 1.99 3.52 -0.08 -0.53 118.95 122.06 2f3i s ARG 57 Ca 0.25 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 2f3i s ARG 57 Cb -0.02 -1.05 -0.00 0.00 -1.56 0.00 0.00 34.95 32.31 2f3i s ARG 57 CO 0.17 0.27 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.68 2f3i s LEU 58 N -1.02 1.98 -0.01 -0.88 0.20 -0.22 -0.63 118.68 118.11 2f3i s LEU 58 Ca 0.03 -0.14 -0.01 0.00 0.69 0.00 0.00 54.13 54.71 2f3i s LEU 58 Cb -0.08 -0.39 0.00 0.00 -0.43 0.00 0.00 46.19 45.30 2f3i s LEU 58 CO 0.01 0.08 0.03 -0.69 -0.29 0.00 0.00 176.35 175.49 2f3i s VAL 59 N -0.12 -0.00 -1.33 1.68 1.01 0.30 -1.57 120.40 120.37 2f3i s VAL 59 Ca 0.02 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 2f3i s VAL 59 Cb -0.04 -0.05 0.13 0.00 0.00 0.00 0.00 36.38 36.42 2f3i s VAL 59 CO -0.00 0.00 2.11 -0.38 0.00 0.00 0.00 175.10 176.83 2f3i n ILE 60 N 3.11 4.49 -2.15 2.22 2.08 -0.21 -1.14 119.36 127.75 2f3i n ILE 60 Ca -0.13 -4.13 -0.04 0.00 0.56 0.00 0.00 62.75 59.01 2f3i n ILE 60 Cb 0.59 -2.33 -0.04 0.00 -0.75 0.00 0.00 39.64 37.12 2f3i n ILE 60 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2f3i n ALA 61 N 3.51 3.42 0.44 -1.39 0.00 -1.26 -4.42 120.51 120.81 2f3i n ALA 61 Ca 0.49 -1.07 0.05 0.00 0.00 0.00 0.00 53.44 52.91 2f3i n ALA 61 Cb 0.33 -0.45 0.24 0.00 0.00 0.00 0.00 19.45 19.57 2f3i n ALA 61 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2f3i n SER 62 N -0.01 0.00 -4.47 0.00 3.41 -1.26 -4.83 113.62 106.47 2f3i n SER 62 Ca -0.20 0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 2f3i n SER 62 Cb 0.80 -0.36 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 2f3i n SER 62 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2f3i n THR 63 N -1.36 1.84 -4.05 6.66 -1.04 -1.26 -4.99 114.28 110.08 2f3i n THR 63 Ca 0.04 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.05 61.34 2f3i n THR 63 Cb 0.09 -0.59 -0.17 0.00 -1.82 0.00 0.00 70.33 67.85 2f3i n THR 63 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2f3i s LEU 64 N 1.56 1.14 -0.91 -4.42 0.20 -1.26 -5.06 118.68 109.93 2f3i s LEU 64 Ca 0.63 -0.13 -0.21 0.00 0.69 0.00 0.00 54.13 55.11 2f3i s LEU 64 Cb -0.60 -0.48 -0.12 0.00 -0.43 0.00 0.00 46.19 44.56 2f3i s LEU 64 CO 0.58 -0.09 1.97 -1.22 -0.29 0.00 0.00 176.35 177.29 2f3i n TYR 65 N 4.38 2.21 0.25 5.38 4.01 -1.26 -4.74 117.16 127.40 2f3i n TYR 65 Ca -0.19 -1.97 0.15 0.00 -0.16 0.00 0.00 57.90 55.72 2f3i n TYR 65 Cb 0.51 -1.90 0.75 0.00 -0.31 0.00 0.00 39.34 38.38 2f3i n TYR 65 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2f3i h GLU 66 N 7.73 0.00 0.00 -0.72 4.11 -2.03 -0.02 114.58 123.64 2f3i h GLU 66 Ca 0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.86 2f3i h GLU 66 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2f3i h GLU 66 CO 1.90 0.00 -0.01 0.22 0.07 0.00 0.00 179.01 181.19 2f3i h ASP 67 N 0.00 0.00 0.00 3.06 3.58 -2.07 -3.46 116.42 117.53 2f3i h ASP 67 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 67 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2f3i h ASP 67 CO 0.00 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2f3i n GLY 68 N -0.85 0.64 0.27 -0.78 0.00 -0.02 -4.98 105.19 99.46 2f3i n GLY 68 Ca -0.02 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.51 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 1.08 0.07 2.61 2.02 -1.90 -0.81 112.91 115.97 2f3i h THR 69 Ca 0.00 -0.29 -0.36 0.00 0.77 0.00 0.00 66.41 66.54 2f3i h THR 69 Cb 0.00 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2f3i h THR 69 CO 0.00 0.10 -2.06 0.18 0.37 0.00 0.00 175.52 174.11 2f3i n LEU 70 N -4.44 2.14 0.32 2.58 4.77 -1.26 -4.24 117.00 116.86 2f3i n LEU 70 Ca -0.01 0.17 0.20 0.00 -0.03 0.00 0.00 56.01 56.35 2f3i n LEU 70 Cb 0.14 -0.69 1.12 0.00 -2.33 0.00 0.00 43.42 41.65 2f3i n LEU 70 CO 0.35 0.75 1.16 -0.78 -1.33 0.00 0.00 177.39 177.54 2f3i h ASP 71 N 0.04 0.00 0.13 -1.43 3.58 -1.59 -0.50 116.42 116.65 2f3i h ASP 71 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2f3i h ASP 71 Cb 2.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.07 2f3i h ASP 71 CO 0.05 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.74 2f3i n ASP 72 N -3.30 0.00 0.00 2.28 2.03 -0.37 -4.02 116.55 113.17 2f3i n ASP 72 Ca -0.03 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2f3i n ASP 72 Cb 0.08 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 -0.94 0.09 3.47 0.27 0.00 -0.33 -5.13 105.19 102.62 2f3i n GLY 73 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 2f3i n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f3i s GLU 74 N -0.25 0.80 -0.22 1.61 2.02 -0.44 -5.03 118.70 117.19 2f3i s GLU 74 Ca 0.00 0.52 0.14 0.00 0.02 0.00 0.00 54.97 55.65 2f3i s GLU 74 Cb 0.00 0.38 0.50 0.00 0.10 0.00 0.00 34.13 35.11 2f3i s GLU 74 CO 0.00 -0.17 1.42 0.98 0.02 0.00 0.00 175.26 177.51 2f3i n TYR 75 N 2.01 0.94 -2.36 1.61 4.19 -1.25 -4.31 117.16 117.97 2f3i n TYR 75 Ca -0.16 -1.14 0.02 0.00 3.31 0.00 0.00 57.90 59.93 2f3i n TYR 75 Cb 0.56 -0.37 0.00 0.00 0.49 0.00 0.00 39.34 40.03 2f3i n TYR 75 CO 0.00 0.00 0.00 0.27 0.91 0.00 0.00 176.86 178.04 2f3i n ASN 76 N -0.80 0.57 0.16 2.98 6.94 -1.26 -4.92 115.26 118.93 2f3i n ASN 76 Ca 0.25 -1.98 -0.14 0.00 -0.02 0.00 0.00 54.58 52.69 2f3i n ASN 76 Cb 0.93 -0.19 -0.07 0.00 -2.36 0.00 0.00 39.78 38.09 2f3i n ASN 76 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2f3i h PRO 77 N 0.73 -0.42 0.00 -0.53 0.13 -2.00 -3.37 132.00 126.54 2f3i h PRO 77 Ca -0.26 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2f3i h PRO 77 Cb 1.76 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.98 2f3i h PRO 77 CO 0.03 -0.28 0.00 0.25 -0.23 0.00 0.00 178.00 177.77 2f3i n THR 78 N -5.31 0.00 0.22 1.56 -2.24 -1.26 -4.53 114.28 102.71 2f3i n THR 78 Ca -0.09 -0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.66 2f3i n THR 78 Cb 0.23 1.73 0.50 0.00 -2.10 0.00 0.00 70.33 70.68 2f3i n THR 78 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2f3i h ASP 79 N 0.00 0.00 0.00 3.42 3.58 -1.92 -3.37 116.42 118.13 2f3i h ASP 79 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 79 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2f3i h ASP 79 CO 0.00 0.26 -0.58 -0.67 -2.88 0.00 0.00 179.24 175.37 2f3i n ASP 80 N -3.88 2.77 -4.72 2.28 2.03 -1.26 -4.49 116.55 109.28 2f3i n ASP 80 Ca -0.02 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.87 2f3i n ASP 80 Cb 0.34 0.22 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 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 -1.58 4.15 0.00 -0.67 0.52 -1.26 -3.29 118.95 116.82 2f3i s ARG 81 Ca 0.00 2.54 0.00 0.00 -0.52 0.00 0.00 55.73 57.75 2f3i s ARG 81 Cb 0.00 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.38 2f3i s ARG 81 CO 0.00 -0.70 0.00 -2.30 0.02 0.00 0.00 175.30 172.32 2f3i n PRO 82 N 3.86 -0.96 -3.99 3.54 -0.02 -1.26 -4.77 135.00 131.40 2f3i n PRO 82 Ca 0.15 -0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.19 2f3i n PRO 82 Cb 0.36 0.62 -0.07 0.00 -0.02 0.00 0.00 33.50 34.39 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 -4.05 0.05 0.15 2.55 0.01 -1.21 -5.09 113.70 106.12 2f3i s SER 83 Ca 0.00 -0.93 -0.01 0.00 1.31 0.00 0.00 55.95 56.32 2f3i s SER 83 Cb 0.00 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 2f3i s SER 83 CO 0.00 -0.90 0.07 -0.13 0.41 0.00 0.00 173.24 172.69 2f3i s ARG 84 N -3.99 1.02 0.24 12.44 0.52 -1.26 -4.75 118.95 123.17 2f3i s ARG 84 Ca 0.20 -1.50 0.19 0.00 -0.52 0.00 0.00 55.73 54.09 2f3i s ARG 84 Cb 0.03 0.21 0.94 0.00 0.52 0.00 0.00 34.95 36.66 2f3i s ARG 84 CO 0.02 -0.29 1.58 0.00 0.02 0.00 0.00 175.30 176.63 2f3i n ALA 85 N -0.15 1.24 0.29 2.13 0.00 -1.26 -2.34 120.51 120.41 2f3i n ALA 85 Ca -0.03 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.68 2f3i n ALA 85 Cb 0.64 -1.29 0.68 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.90 0.00 3.58 -1.99 -1.31 116.42 115.80 2f3i h ASP 86 Ca 0.00 0.00 0.25 0.00 0.42 0.00 0.00 57.03 57.70 2f3i h ASP 86 Cb 0.11 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 2f3i h ASP 86 CO 0.00 0.00 0.64 1.56 -2.88 0.00 0.00 179.24 178.56 2f3i h GLN 87 N 0.00 0.08 -4.21 0.28 4.20 -1.89 -3.44 115.11 110.13 2f3i h GLN 87 Ca 0.04 -0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.50 2f3i h GLN 87 Cb 0.96 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.62 2f3i h GLN 87 CO -0.00 0.05 -0.30 -0.59 -0.67 0.00 0.00 178.83 177.32 2f3i s PHE 88 N -5.07 1.00 0.00 2.96 -0.12 -0.50 -4.68 117.98 111.58 2f3i s PHE 88 Ca -0.06 -1.22 0.00 0.00 -0.05 0.00 0.00 56.93 55.60 2f3i s PHE 88 Cb 0.22 -0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.41 2f3i s PHE 88 CO 0.78 -0.96 0.01 0.39 -0.05 0.00 0.00 175.22 175.38 2f3i n GLU 89 N -0.46 4.98 0.00 1.99 -0.58 0.33 -4.72 120.64 122.17 2f3i n GLU 89 Ca 0.01 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2f3i n GLU 89 Cb 0.63 -0.38 0.00 0.00 -0.57 0.00 0.00 31.44 31.11 2f3i n GLU 89 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2f3i n TYR 90 N -0.71 0.00 0.00 -0.32 9.36 -0.45 -4.81 117.16 120.23 2f3i n TYR 90 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2f3i n TYR 90 Cb 0.00 0.09 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 2f3i n TYR 90 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2f3i n VAL 91 N 0.00 0.00 -3.53 2.97 0.31 -1.25 -0.36 118.33 116.47 2f3i n VAL 91 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2f3i n VAL 91 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 2f3i n VAL 91 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2f3i n MET 92 N 0.00 0.22 -4.32 5.55 1.56 -0.35 -5.05 117.12 114.74 2f3i n MET 92 Ca 0.00 -0.49 -0.21 0.00 -0.27 0.00 0.00 57.70 56.72 2f3i n MET 92 Cb 0.00 0.66 -0.11 0.00 2.15 0.00 0.00 33.22 35.92 2f3i n MET 92 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2f3i s TYR 93 N -5.05 1.75 0.00 1.12 2.02 -1.26 -1.61 117.35 114.32 2f3i s TYR 93 Ca 0.07 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 2f3i s TYR 93 Cb -0.01 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 2f3i s TYR 93 CO 0.02 0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.70 2f3i n GLY 94 N 0.36 3.59 2.98 0.71 0.00 -0.88 -4.21 105.19 107.74 2f3i n GLY 94 Ca -0.14 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 1.86 0.27 -0.05 1.61 1.02 -0.09 -4.79 119.74 119.58 2f3i s LYS 95 Ca 0.00 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.59 2f3i s LYS 95 Cb 0.00 0.10 -0.00 0.00 -0.52 0.00 0.00 37.83 37.41 2f3i s LYS 95 CO 0.00 -0.05 -0.18 0.54 -0.92 0.00 0.00 175.35 174.74 2f3i s VAL 96 N -1.12 1.49 -0.24 3.17 0.11 -1.22 -1.08 120.40 121.51 2f3i s VAL 96 Ca -0.12 -0.75 -0.03 0.00 -2.93 0.00 0.00 61.98 58.15 2f3i s VAL 96 Cb -0.08 -1.28 0.11 0.00 -1.53 0.00 0.00 36.38 33.61 2f3i s VAL 96 CO -0.00 0.43 0.26 -0.31 -3.33 0.00 0.00 175.10 172.14 2f3i s TYR 97 N 0.04 -0.37 0.24 1.54 2.02 -0.44 -4.49 117.35 115.87 2f3i s TYR 97 Ca -0.04 0.14 -0.18 0.00 -0.37 0.00 0.00 57.07 56.61 2f3i s TYR 97 Cb -0.12 -0.37 0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2f3i s TYR 97 CO 0.02 -0.72 0.59 1.03 -1.57 0.00 0.00 175.55 174.91 2f3i s ARG 98 N 2.35 1.57 1.13 -0.62 1.81 -1.26 -3.86 118.95 120.07 2f3i s ARG 98 Ca 0.08 -0.97 -0.13 0.00 -1.72 0.00 0.00 55.73 52.99 2f3i s ARG 98 Cb -0.15 0.55 0.26 0.00 -0.45 0.00 0.00 34.95 35.16 2f3i s ARG 98 CO -0.20 -0.69 1.04 0.96 -0.68 0.00 0.00 175.30 175.74 2f3i s ILE 99 N -3.92 2.04 -2.00 1.52 -0.00 -1.26 -4.91 121.20 112.67 2f3i s ILE 99 Ca 0.12 0.01 0.01 0.00 -0.00 0.00 0.00 60.65 60.80 2f3i s ILE 99 Cb -0.03 -2.15 0.04 0.00 -0.00 0.00 0.00 42.46 40.33 2f3i s ILE 99 CO 0.03 -0.02 0.41 -1.84 -0.00 0.00 0.00 174.94 173.53 2f3i n GLU 100 N -4.77 0.07 -3.63 0.37 0.00 -1.26 -4.60 120.64 106.82 2f3i n GLU 100 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.97 2f3i n GLU 100 Cb 0.55 -1.31 0.07 0.00 0.00 0.00 0.00 31.44 30.74 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 -0.69 -0.46 2.46 -1.84 0.00 -1.26 -4.93 105.19 98.46 2f3i n GLY 101 Ca 0.01 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.71 0.86 -0.03 1.61 2.15 -0.86 -3.96 116.67 112.72 2f3i s ASP 102 Ca 0.38 -2.82 0.04 0.00 0.43 0.00 0.00 52.55 50.58 2f3i s ASP 102 Cb -0.17 0.01 0.06 0.00 -0.30 0.00 0.00 42.92 42.52 2f3i s ASP 102 CO 0.76 -0.15 0.89 1.21 -0.17 0.00 0.00 175.17 177.71 2f3i n GLU 103 N 2.86 0.99 0.00 4.34 2.13 -0.02 -4.94 120.64 126.00 2f3i n GLU 103 Ca 0.28 -1.32 0.00 0.00 0.66 0.00 0.00 57.16 56.78 2f3i n GLU 103 Cb 0.49 -0.83 0.00 0.00 0.27 0.00 0.00 31.44 31.37 2f3i n GLU 103 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2f3i n THR 104 N -0.43 0.00 -0.34 6.31 5.66 -1.26 -4.93 114.28 119.29 2f3i n THR 104 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2f3i n THR 104 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2f3i n THR 104 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2f3i n SER 105 N 0.00 0.00 0.00 1.09 7.64 -1.26 -4.78 113.62 116.31 2f3i n SER 105 Ca 0.00 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2f3i n SER 105 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.26 0.44 -2.24 -1.26 -4.76 114.28 106.72 2f3i n THR 106 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2f3i n THR 106 Cb 0.03 0.00 0.74 0.00 -2.10 0.00 0.00 70.33 69.00 2f3i n THR 106 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2f3i h GLU 107 N 0.00 0.00 0.00 -0.78 4.11 -1.97 -0.33 114.58 115.62 2f3i h GLU 107 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 2f3i h GLU 107 Cb 0.00 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.01 2f3i h GLU 107 CO 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 179.01 178.37 2f3i n ALA 108 N -1.82 2.56 -0.26 1.06 0.00 -1.26 -4.63 120.51 116.16 2f3i n ALA 108 Ca -0.02 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.82 2f3i n ALA 108 Cb 0.22 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 0.27 1.63 -0.00 0.00 0.00 -0.26 -0.84 120.51 121.31 2f3i n ALA 109 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2f3i n ALA 109 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.38 2f3i n ALA 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2f3i n THR 110 N -0.14 0.00 -4.59 0.00 -2.24 -0.45 -4.82 114.28 102.04 2f3i n THR 110 Ca 0.00 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.18 2f3i n THR 110 Cb 0.06 1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.75 1.13 0.39 -0.78 3.00 -1.26 -4.49 118.95 116.18 2f3i s ARG 111 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 55.73 55.13 2f3i s ARG 111 Cb 0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 34.95 33.80 2f3i s ARG 111 CO 0.00 0.25 0.79 -1.17 0.00 0.00 0.00 175.30 175.18 2f3i s LEU 112 N -0.20 3.91 0.13 2.53 2.96 0.46 -4.52 118.68 123.94 2f3i s LEU 112 Ca 0.03 1.28 0.10 0.00 -0.22 0.00 0.00 54.13 55.32 2f3i s LEU 112 Cb -0.06 -4.14 -0.04 0.00 0.50 0.00 0.00 46.19 42.45 2f3i s LEU 112 CO -0.00 -0.34 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.01 2f3i s SER 113 N -2.72 2.95 -0.11 3.68 0.01 -1.26 -1.61 113.70 114.64 2f3i s SER 113 Ca 0.54 -0.74 -0.10 0.00 1.31 0.00 0.00 55.95 56.96 2f3i s SER 113 Cb -0.10 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 65.97 2f3i s SER 113 CO 0.24 0.11 0.29 0.00 0.41 0.00 0.00 173.24 174.29 2f3i s ALA 114 N -1.24 -0.72 -0.06 1.44 0.00 -0.40 -4.66 121.76 116.12 2f3i s ALA 114 Ca 0.12 0.80 0.05 0.00 0.00 0.00 0.00 51.96 52.93 2f3i s ALA 114 Cb -0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 2f3i s ALA 114 CO 0.06 -0.14 -0.24 0.71 0.00 0.00 0.00 175.76 176.14 2f3i s TYR 115 N 0.09 2.37 0.02 0.00 1.51 -1.25 -0.61 117.35 119.48 2f3i s TYR 115 Ca -0.01 -0.76 0.07 0.00 -1.01 0.00 0.00 57.07 55.36 2f3i s TYR 115 Cb -0.02 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 2f3i s TYR 115 CO 0.01 -0.25 -0.20 0.08 -1.11 0.00 0.00 175.55 174.08 2f3i s VAL 116 N -0.04 1.57 -0.08 0.71 1.01 -0.50 -1.33 120.40 121.75 2f3i s VAL 116 Ca -0.07 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 2f3i s VAL 116 Cb -0.14 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.92 2f3i s VAL 116 CO 0.04 0.30 -0.04 -0.44 0.00 0.00 0.00 175.10 174.97 2f3i s SER 117 N -0.83 1.60 -0.25 3.32 0.01 -0.24 -0.79 113.70 116.52 2f3i s SER 117 Ca 0.07 -0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.15 2f3i s SER 117 Cb -0.08 -0.57 0.12 0.00 0.21 0.00 0.00 66.02 65.71 2f3i s SER 117 CO 0.01 -0.13 0.30 -0.72 0.41 0.00 0.00 173.24 173.10 2f3i s TYR 118 N 1.58 -0.52 -1.75 2.43 1.13 -0.47 -0.91 117.35 118.84 2f3i s TYR 118 Ca 0.00 0.20 0.00 0.00 -1.41 0.00 0.00 57.07 55.86 2f3i s TYR 118 Cb -0.13 -0.31 0.00 0.00 -1.10 0.00 0.00 41.96 40.42 2f3i s TYR 118 CO -0.04 -0.79 0.00 0.41 -2.51 0.00 0.00 175.55 172.62 2f3i n GLY 119 N 5.33 0.01 1.36 5.49 0.00 -1.26 -0.95 105.19 115.16 2f3i n GLY 119 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2f3i n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3i n GLY 120 N -0.85 0.91 3.96 -0.02 0.00 -1.26 -5.07 105.19 102.87 2f3i n GLY 120 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 0.09 0.99 1.43 -0.13 -5.07 118.68 119.78 2f3i s LEU 121 Ca 0.00 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 2f3i s LEU 121 Cb 0.00 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 2f3i s LEU 121 CO 0.00 -0.58 0.09 -0.22 0.23 0.00 0.00 176.35 175.87 2f3i s LEU 122 N -4.42 1.83 0.05 1.79 2.96 -0.78 -1.37 118.68 118.74 2f3i s LEU 122 Ca 0.46 -0.93 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 2f3i s LEU 122 Cb -0.10 0.59 0.00 0.00 0.50 0.00 0.00 46.19 47.19 2f3i s LEU 122 CO 0.36 -0.70 0.20 -0.04 -1.32 0.00 0.00 176.35 174.85 2f3i s MET 123 N -3.94 0.72 -0.06 1.98 -1.94 0.03 -0.53 119.30 115.57 2f3i s MET 123 Ca 0.12 -0.65 -0.02 0.00 -1.71 0.00 0.00 55.69 53.42 2f3i s MET 123 Cb 0.06 0.30 0.04 0.00 2.01 0.00 0.00 34.83 37.24 2f3i s MET 123 CO -0.06 -0.21 0.12 1.03 -0.01 0.00 0.00 175.02 175.88 2f3i s ARG 124 N -2.71 0.03 0.16 2.03 0.52 0.36 -1.41 118.95 117.94 2f3i s ARG 124 Ca -0.04 0.39 -0.14 0.00 -0.52 0.00 0.00 55.73 55.42 2f3i s ARG 124 Cb -0.00 -0.26 0.02 0.00 0.52 0.00 0.00 34.95 35.22 2f3i s ARG 124 CO -0.05 -0.23 0.41 -0.48 0.02 0.00 0.00 175.30 174.97 2f3i s LEU 125 N 1.58 0.49 0.05 2.53 2.34 0.22 -0.79 118.68 125.11 2f3i s LEU 125 Ca -0.04 -0.58 0.00 0.00 0.06 0.00 0.00 54.13 53.58 2f3i s LEU 125 Cb -0.12 1.73 -0.03 0.00 -0.56 0.00 0.00 46.19 47.20 2f3i s LEU 125 CO -0.05 -0.94 -0.04 -1.10 -1.06 0.00 0.00 176.35 173.15 2f3i s GLN 126 N -3.89 0.55 0.13 1.48 -0.21 -0.60 -1.27 119.66 115.86 2f3i s GLN 126 Ca 0.10 -1.01 -0.24 0.00 0.02 0.00 0.00 55.36 54.23 2f3i s GLN 126 Cb 0.01 0.05 0.08 0.00 1.00 0.00 0.00 33.01 34.15 2f3i s GLN 126 CO -0.04 -0.06 1.08 0.20 -2.12 0.00 0.00 175.29 174.35 2f3i s GLY 127 N -2.36 -0.05 0.41 3.09 0.00 -0.63 -0.92 107.32 106.85 2f3i s GLY 127 Ca -0.01 -0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.39 2f3i s GLY 127 CO -0.05 1.91 1.28 1.34 0.00 0.00 0.00 173.10 177.58 2f3i n ASP 128 N -0.94 2.63 -0.23 1.64 -0.08 -1.26 -0.41 116.55 117.90 2f3i n ASP 128 Ca -0.04 1.12 0.02 0.00 -1.51 0.00 0.00 54.79 54.39 2f3i n ASP 128 Cb 0.60 -1.50 0.11 0.00 2.34 0.00 0.00 41.12 42.67 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 2.17 0.61 -0.79 -1.67 0.00 -1.87 0.90 119.26 118.61 2f3i h ALA 129 Ca -0.48 0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.76 2f3i h ALA 129 Cb 1.29 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 2f3i h ALA 129 CO 0.60 -0.42 0.52 -0.97 0.00 0.00 0.00 179.25 178.98 2f3i h ASN 130 N 0.06 0.67 1.83 0.00 -1.24 -1.97 -1.24 115.58 113.70 2f3i h ASN 130 Ca 0.36 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.38 2f3i h ASN 130 Cb 0.59 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.51 2f3i h ASN 130 CO -0.65 0.40 0.00 0.78 -1.29 0.00 0.00 177.43 176.67 2f3i h ASN 131 N 0.74 0.00 0.62 1.15 4.21 -1.23 -2.40 115.58 118.67 2f3i h ASN 131 Ca 0.36 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.78 2f3i h ASN 131 Cb 0.42 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2f3i h ASN 131 CO -0.14 0.00 -0.42 0.25 -1.29 0.00 0.00 177.43 175.83 2f3i h LEU 132 N 0.00 0.00 0.76 1.61 5.85 0.08 -3.47 115.31 120.14 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 0.92 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.83 2f3i h LEU 132 CO 0.00 0.42 -0.44 1.57 -0.34 0.00 0.00 178.44 179.65 2f3i n HIS 133 N -3.77 -1.68 0.00 1.25 -0.00 -0.91 -4.65 115.22 105.47 2f3i n HIS 133 Ca -0.01 0.33 0.00 0.00 0.46 0.00 0.00 57.72 58.50 2f3i n HIS 133 Cb 0.49 -2.06 0.00 0.00 -0.12 0.00 0.00 29.99 28.30 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 -1.84 1.01 1.57 0.00 -1.26 -4.68 105.19 99.09 2f3i n GLY 134 Ca 0.01 0.82 0.11 0.00 0.00 0.00 0.00 46.02 46.96 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 0.35 -2.37 1.61 1.16 -1.26 -3.81 117.46 113.13 2f3i n PHE 135 Ca 0.00 -0.19 -0.35 0.00 -1.87 0.00 0.00 57.45 55.04 2f3i n PHE 135 Cb 0.00 -0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 37.85 2f3i n PHE 135 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2f3i s GLU 136 N -1.49 3.57 0.00 3.97 0.41 -1.26 -4.89 118.70 119.00 2f3i s GLU 136 Ca 0.33 1.53 0.00 0.00 -0.41 0.00 0.00 54.97 56.41 2f3i s GLU 136 Cb 0.20 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 2f3i s GLU 136 CO 0.28 -0.65 0.82 1.33 -0.49 0.00 0.00 175.26 176.55 2f3i n VAL 137 N -1.09 1.32 -1.36 2.63 0.24 -1.26 -1.34 118.33 117.47 2f3i n VAL 137 Ca 0.10 0.37 0.01 0.00 -2.04 0.00 0.00 64.34 62.79 2f3i n VAL 137 Cb 0.51 -1.37 0.02 0.00 -1.47 0.00 0.00 33.84 31.53 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 -1.32 0.46 0.00 -1.34 2.03 -1.26 -3.44 116.55 111.68 2f3i n ASP 138 Ca 0.00 -1.78 0.00 0.00 0.52 0.00 0.00 54.79 53.53 2f3i n ASP 138 Cb 0.04 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -0.21 0.00 -0.42 1.67 7.64 -0.45 -4.49 113.62 117.36 2f3i n SER 139 Ca 0.02 0.18 0.01 0.00 1.01 0.00 0.00 58.87 60.08 2f3i n SER 139 Cb 0.58 -0.19 0.02 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.09 1.20 0.17 1.43 1.85 -1.25 -2.84 116.66 116.12 2f3i n ARG 140 Ca 0.00 -0.18 0.01 0.00 -1.00 0.00 0.00 57.85 56.68 2f3i n ARG 140 Cb 0.00 -1.37 0.32 0.00 -1.05 0.00 0.00 32.46 30.35 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 0.25 1.29 -2.94 8.89 -1.51 -1.86 -3.42 116.25 116.97 2f3i h VAL 141 Ca 0.00 -1.40 -0.55 0.00 -1.23 0.00 0.00 66.70 63.52 2f3i h VAL 141 Cb 0.41 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 2f3i h VAL 141 CO 0.02 0.40 0.82 -0.31 -1.23 0.00 0.00 177.57 177.28 2f3i s TYR 142 N -4.12 2.88 -0.25 5.19 2.02 -1.13 -2.06 117.35 119.87 2f3i s TYR 142 Ca -0.03 0.91 -0.04 0.00 -0.37 0.00 0.00 57.07 57.54 2f3i s TYR 142 Cb 0.14 -3.59 0.09 0.00 -0.40 0.00 0.00 41.96 38.19 2f3i s TYR 142 CO 0.74 -2.13 0.11 -1.17 -1.57 0.00 0.00 175.55 171.52 2f3i s LEU 143 N 2.61 0.82 -0.09 -1.29 2.96 -0.64 -4.23 118.68 118.83 2f3i s LEU 143 Ca 0.61 -1.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2f3i s LEU 143 Cb -0.28 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 2f3i s LEU 143 CO 0.24 -0.40 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.50 2f3i s LEU 144 N 2.01 2.65 0.21 -0.68 2.96 -0.29 -1.22 118.68 124.32 2f3i s LEU 144 Ca 0.06 -0.29 0.11 0.00 -0.22 0.00 0.00 54.13 53.79 2f3i s LEU 144 Cb -0.16 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2f3i s LEU 144 CO -0.25 0.25 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.78 2f3i s MET 145 N -0.19 1.65 0.11 1.98 -1.94 0.52 -0.54 119.30 120.89 2f3i s MET 145 Ca -0.00 -1.53 -0.08 0.00 -1.71 0.00 0.00 55.69 52.37 2f3i s MET 145 Cb -0.13 -1.89 -0.01 0.00 2.01 0.00 0.00 34.83 34.81 2f3i s MET 145 CO 0.03 0.39 0.21 0.15 -0.01 0.00 0.00 175.02 175.80 2f3i s LYS 146 N -2.87 0.94 0.80 2.03 1.02 0.20 -0.51 119.74 121.35 2f3i s LYS 146 Ca 0.23 -1.05 -0.13 0.00 0.02 0.00 0.00 55.97 55.04 2f3i s LYS 146 Cb -0.07 0.35 0.20 0.00 -0.52 0.00 0.00 37.83 37.78 2f3i s LYS 146 CO 0.12 -0.31 0.64 0.36 -0.92 0.00 0.00 175.35 175.24 2f3i n LYS 147 N -0.11 -2.70 -1.67 1.68 2.85 -1.26 -0.90 118.16 116.05 2f3i n LYS 147 Ca -0.12 -1.04 -0.46 0.00 -1.05 0.00 0.00 58.31 55.64 2f3i n LYS 147 Cb 0.63 -1.05 -0.04 0.00 -0.65 0.00 0.00 35.03 33.91 2f3i n LYS 147 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2f3i n LEU 148 N 0.00 3.75 -3.88 -5.58 4.77 -1.26 -3.83 117.00 110.97 2f3i n LEU 148 Ca 0.09 0.93 -0.11 0.00 -0.03 0.00 0.00 56.01 56.89 2f3i n LEU 148 Cb 0.37 -1.44 -0.12 0.00 -2.33 0.00 0.00 43.42 39.90 2f3i n LEU 148 CO 0.25 0.05 -0.27 0.00 -1.33 0.00 0.00 177.39 176.09 2f3i s ALA 149 N 4.35 -0.16 0.00 -1.18 0.00 -1.26 -5.06 121.76 118.45 2f3i s ALA 149 Ca 0.91 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2f3i s ALA 149 Cb -0.58 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2f3i s ALA 149 CO 0.47 -0.11 0.41 1.19 0.00 0.00 0.00 175.76 177.72