#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 0.95 0.00 3.04 0.00 -1.26 -5.12 120.51 118.12 2f3i n ALA 2 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 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 0.41 0.00 0.00 0.00 177.50 177.91 2f3i n GLY 3 N -0.05 -0.46 2.90 0.00 0.00 -1.26 -2.94 105.19 103.37 2f3i n GLY 3 Ca 0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 2f3i n GLY 3 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f3i s ILE 4 N -2.00 0.12 -0.84 -0.61 1.01 -0.26 -4.91 121.20 113.72 2f3i s ILE 4 Ca 0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 2f3i s ILE 4 Cb 0.00 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.35 2f3i s ILE 4 CO 0.00 0.03 1.72 -0.22 0.00 0.00 0.00 174.94 176.47 2f3i s LEU 5 N -0.05 3.27 -0.05 2.97 0.20 -1.26 -2.26 118.68 121.51 2f3i s LEU 5 Ca 0.00 -0.58 -0.17 0.00 0.69 0.00 0.00 54.13 54.07 2f3i s LEU 5 Cb -0.01 -2.55 0.03 0.00 -0.43 0.00 0.00 46.19 43.23 2f3i s LEU 5 CO -0.00 -2.24 0.39 0.12 -0.29 0.00 0.00 176.35 174.33 2f3i s PHE 6 N 8.05 -0.31 -0.08 5.38 5.36 -1.26 -5.03 117.98 130.08 2f3i s PHE 6 Ca 0.59 0.57 -0.12 0.00 -0.96 0.00 0.00 56.93 57.01 2f3i s PHE 6 Cb -0.07 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.80 2f3i s PHE 6 CO 0.04 -0.40 0.30 -2.00 -1.46 0.00 0.00 175.22 171.71 2f3i s GLU 7 N -1.02 0.45 -0.18 10.12 2.12 -1.26 -2.58 118.70 126.35 2f3i s GLU 7 Ca -0.11 0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.37 2f3i s GLU 7 Cb -0.04 0.21 0.07 0.00 0.26 0.00 0.00 34.13 34.63 2f3i s GLU 7 CO 0.05 -0.08 0.41 0.34 -0.54 0.00 0.00 175.26 175.44 2f3i s ASP 8 N -0.31 -0.37 0.28 -1.70 2.15 -0.12 -4.92 116.67 111.69 2f3i s ASP 8 Ca -0.04 0.94 -0.28 0.00 0.43 0.00 0.00 52.55 53.60 2f3i s ASP 8 Cb -0.03 1.05 -0.09 0.00 -0.30 0.00 0.00 42.92 43.55 2f3i s ASP 8 CO 0.01 -0.21 0.96 -0.63 -0.17 0.00 0.00 175.17 175.13 2f3i s ILE 9 N 2.02 4.08 0.15 4.11 1.09 -1.26 -1.32 121.20 130.06 2f3i s ILE 9 Ca -0.05 1.91 0.05 0.00 -1.10 0.00 0.00 60.65 61.45 2f3i s ILE 9 Cb -0.10 -4.14 -0.04 0.00 -1.06 0.00 0.00 42.46 37.11 2f3i s ILE 9 CO -0.13 0.32 -0.12 0.72 -0.10 0.00 0.00 174.94 175.63 2f3i s PHE 10 N -1.39 1.35 -0.08 3.97 -0.12 -0.22 -0.28 117.98 121.21 2f3i s PHE 10 Ca 0.46 -0.67 0.05 0.00 -0.05 0.00 0.00 56.93 56.71 2f3i s PHE 10 Cb -0.23 -0.68 -0.01 0.00 -0.63 0.00 0.00 43.02 41.47 2f3i s PHE 10 CO 0.29 0.13 -0.23 0.34 -0.05 0.00 0.00 175.22 175.70 2f3i s ASP 11 N -2.97 3.22 0.21 1.98 2.15 -0.02 -0.94 116.67 120.31 2f3i s ASP 11 Ca 0.15 -0.50 -0.30 0.00 0.43 0.00 0.00 52.55 52.33 2f3i s ASP 11 Cb -0.00 -1.14 -0.09 0.00 -0.30 0.00 0.00 42.92 41.40 2f3i s ASP 11 CO 0.02 0.21 1.29 0.54 -0.17 0.00 0.00 175.17 177.06 2f3i s VAL 12 N 0.05 3.23 -0.04 1.11 0.11 -1.26 -1.38 120.40 122.23 2f3i s VAL 12 Ca -0.09 1.04 0.07 0.00 -2.93 0.00 0.00 61.98 60.06 2f3i s VAL 12 Cb -0.15 -3.66 -0.10 0.00 -1.53 0.00 0.00 36.38 30.93 2f3i s VAL 12 CO 0.06 0.17 0.09 0.29 -3.33 0.00 0.00 175.10 172.38 2f3i n LYS 13 N 2.44 1.59 -3.68 1.54 4.76 0.78 -4.92 118.16 120.67 2f3i n LYS 13 Ca 0.05 -0.04 -0.10 0.00 -2.87 0.00 0.00 58.31 55.36 2f3i n LYS 13 Cb 0.43 -1.18 -0.04 0.00 -1.84 0.00 0.00 35.03 32.40 2f3i n LYS 13 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2f3i s ASP 14 N -3.39 -0.30 -0.01 4.39 2.15 -0.55 -4.97 116.67 113.99 2f3i s ASP 14 Ca -0.03 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.57 2f3i s ASP 14 Cb 0.03 0.57 0.01 0.00 -0.30 0.00 0.00 42.92 43.23 2f3i s ASP 14 CO 0.30 -1.01 -0.00 -0.63 -0.17 0.00 0.00 175.17 173.65 2f3i s ILE 15 N -3.84 0.08 -0.31 4.11 1.09 -1.26 -1.28 121.20 119.78 2f3i s ILE 15 Ca 0.07 0.01 -0.02 0.00 -1.10 0.00 0.00 60.65 59.61 2f3i s ILE 15 Cb -0.01 -0.11 0.12 0.00 -1.06 0.00 0.00 42.46 41.41 2f3i s ILE 15 CO -0.06 0.05 0.22 -0.62 -0.10 0.00 0.00 174.94 174.43 2f3i s ASP 16 N 0.27 2.66 0.00 3.58 2.15 0.28 -4.98 116.67 120.63 2f3i s ASP 16 Ca -0.02 -1.33 0.01 0.00 0.43 0.00 0.00 52.55 51.65 2f3i s ASP 16 Cb -0.04 -0.02 0.08 0.00 -0.30 0.00 0.00 42.92 42.65 2f3i s ASP 16 CO -0.01 -0.38 0.52 -2.65 -0.17 0.00 0.00 175.17 172.48 2f3i n PRO 17 N 4.95 0.05 -0.72 4.34 -0.02 -1.26 -1.07 135.00 141.26 2f3i n PRO 17 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 2f3i n PRO 17 Cb 0.43 -1.44 -0.10 0.00 -0.02 0.00 0.00 33.50 32.37 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 -0.94 1.45 -2.05 -0.52 -0.58 -1.26 -3.12 120.64 113.62 2f3i n GLU 18 Ca 0.01 -0.58 -0.02 0.00 -0.42 0.00 0.00 57.16 56.15 2f3i n GLU 18 Cb 0.00 -1.65 0.04 0.00 -0.57 0.00 0.00 31.44 29.27 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 2.24 1.41 2.42 0.62 0.00 -1.26 -4.80 105.19 105.82 2f3i n GLY 19 Ca 0.25 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 2f3i n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2f3i n LYS 20 N -0.65 1.71 -0.35 1.61 3.00 -1.18 -4.09 118.16 118.20 2f3i n LYS 20 Ca -0.13 -1.08 0.08 0.00 -0.00 0.00 0.00 58.31 57.18 2f3i n LYS 20 Cb 0.85 -2.16 0.25 0.00 0.00 0.00 0.00 35.03 33.98 2f3i n LYS 20 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2f3i h LYS 21 N 5.33 0.94 -4.20 1.64 1.79 -1.93 -3.43 116.57 116.72 2f3i h LYS 21 Ca 0.33 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.60 2f3i h LYS 21 Cb 0.50 -0.21 -0.14 0.00 -1.58 0.00 0.00 32.23 30.79 2f3i h LYS 21 CO 0.95 0.62 -0.54 -0.06 -1.08 0.00 0.00 179.45 179.34 2f3i s PHE 22 N -5.93 0.62 0.40 -1.35 0.40 -1.26 -5.02 117.98 105.84 2f3i s PHE 22 Ca -0.12 -1.02 0.10 0.00 -0.60 0.00 0.00 56.93 55.29 2f3i s PHE 22 Cb 0.22 -0.32 0.90 0.00 0.51 0.00 0.00 43.02 44.34 2f3i s PHE 22 CO 0.81 -0.55 1.99 0.22 0.70 0.00 0.00 175.22 178.38 2f3i h ASP 23 N 2.82 0.49 0.00 1.36 3.58 -1.96 -1.46 116.42 121.24 2f3i h ASP 23 Ca -0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2f3i h ASP 23 Cb 1.20 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2f3i h ASP 23 CO 0.57 0.31 0.00 -2.11 -2.88 0.00 0.00 179.24 175.13 2f3i n ARG 24 N -4.48 0.95 -5.09 0.28 1.85 -1.26 -4.78 116.66 104.13 2f3i n ARG 24 Ca 0.09 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.62 2f3i n ARG 24 Cb 0.26 -1.29 -0.16 0.00 -1.05 0.00 0.00 32.46 30.22 2f3i n ARG 24 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2f3i s VAL 25 N -2.00 2.39 0.08 8.89 1.01 -0.55 -0.44 120.40 129.77 2f3i s VAL 25 Ca 0.26 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 2f3i s VAL 25 Cb 0.12 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2f3i s VAL 25 CO 0.20 0.56 0.15 -0.44 0.00 0.00 0.00 175.10 175.57 2f3i s SER 26 N 0.13 0.18 0.44 3.32 0.01 -0.56 -3.96 113.70 113.26 2f3i s SER 26 Ca -0.11 -0.70 -0.22 0.00 1.31 0.00 0.00 55.95 56.24 2f3i s SER 26 Cb -0.16 0.31 -0.09 0.00 0.21 0.00 0.00 66.02 66.29 2f3i s SER 26 CO 0.06 -0.70 1.01 -0.60 0.41 0.00 0.00 173.24 173.42 2f3i s ARG 27 N -3.83 4.03 0.03 12.44 3.52 -0.24 -1.51 118.95 133.40 2f3i s ARG 27 Ca 0.05 1.32 -0.04 0.00 -0.13 0.00 0.00 55.73 56.93 2f3i s ARG 27 Cb 0.05 -2.24 -0.02 0.00 -1.56 0.00 0.00 34.95 31.18 2f3i s ARG 27 CO -0.11 -0.22 0.06 -1.17 -0.81 0.00 0.00 175.30 173.05 2f3i s LEU 28 N -3.16 1.96 -0.02 -0.88 2.96 0.48 -0.56 118.68 119.47 2f3i s LEU 28 Ca 0.63 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 2f3i s LEU 28 Cb -0.16 0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.99 2f3i s LEU 28 CO 0.20 -0.46 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.70 2f3i s HIS 29 N -2.41 0.69 0.16 5.38 3.76 -0.40 -1.27 115.29 121.19 2f3i s HIS 29 Ca -0.07 -0.15 -0.07 0.00 -0.15 0.00 0.00 55.06 54.62 2f3i s HIS 29 Cb -0.03 -0.51 -0.02 0.00 1.11 0.00 0.00 32.58 33.14 2f3i s HIS 29 CO -0.04 -0.07 0.22 0.00 -0.85 0.00 0.00 174.74 174.00 2f3i s GLU 31 N -3.99 0.04 0.37 0.00 2.12 -0.48 -1.30 118.70 115.46 2f3i s GLU 31 Ca 0.19 0.05 -0.28 0.00 0.36 0.00 0.00 54.97 55.30 2f3i s GLU 31 Cb 0.04 -0.15 -0.11 0.00 0.26 0.00 0.00 34.13 34.18 2f3i s GLU 31 CO 0.01 -0.06 1.48 -1.12 -0.54 0.00 0.00 175.26 175.03 2f3i s SER 32 N 0.42 6.36 -0.21 -1.70 0.01 -0.53 -0.84 113.70 117.21 2f3i s SER 32 Ca -0.04 3.04 -0.10 0.00 1.31 0.00 0.00 55.95 60.17 2f3i s SER 32 Cb -0.05 -2.67 -0.19 0.00 0.21 0.00 0.00 66.02 63.31 2f3i s SER 32 CO -0.01 -0.87 0.04 1.21 0.41 0.00 0.00 173.24 174.03 2f3i n GLU 33 N 0.51 0.65 -0.00 12.44 2.13 0.62 -4.51 120.64 132.48 2f3i n GLU 33 Ca 0.01 0.31 -0.14 0.00 0.66 0.00 0.00 57.16 58.00 2f3i n GLU 33 Cb 0.39 -1.63 -0.03 0.00 0.27 0.00 0.00 31.44 30.44 2f3i n GLU 33 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2f3i h SER 34 N -0.42 0.79 0.00 4.31 0.02 -1.91 -3.45 113.55 112.88 2f3i h SER 34 Ca -0.50 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 59.95 2f3i h SER 34 Cb 1.74 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.05 2f3i h SER 34 CO -0.13 1.28 0.00 0.49 -1.14 0.00 0.00 176.83 177.33 2f3i n PHE 35 N -3.91 0.00 -1.37 3.45 3.72 -1.26 -5.03 117.46 113.05 2f3i n PHE 35 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2f3i n PHE 35 Cb 0.72 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 2f3i n PHE 35 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2f3i n LYS 36 N 0.00 0.00 -2.22 -1.08 2.85 -1.26 -4.92 118.16 111.53 2f3i n LYS 36 Ca 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 2f3i n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 0.00 3.46 -0.11 -1.58 -1.94 -1.26 -4.78 119.30 113.10 2f3i s MET 37 Ca 0.00 1.71 -0.04 0.00 -1.71 0.00 0.00 55.69 55.65 2f3i s MET 37 Cb 0.00 -2.15 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 2f3i s MET 37 CO 0.00 -0.78 0.06 0.34 -0.01 0.00 0.00 175.02 174.63 2f3i s ASP 38 N -1.58 5.72 0.02 3.03 2.15 -0.26 -1.45 116.67 124.29 2f3i s ASP 38 Ca 0.70 0.26 0.02 0.00 0.43 0.00 0.00 52.55 53.95 2f3i s ASP 38 Cb -0.27 -1.76 -0.01 0.00 -0.30 0.00 0.00 42.92 40.58 2f3i s ASP 38 CO 0.31 0.36 -0.07 -0.76 -0.17 0.00 0.00 175.17 174.85 2f3i s LEU 39 N -0.78 2.13 0.02 -1.34 1.43 -0.42 -1.45 118.68 118.27 2f3i s LEU 39 Ca 0.13 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 2f3i s LEU 39 Cb -0.12 -0.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.86 2f3i s LEU 39 CO 0.03 -0.06 -0.13 -0.63 0.23 0.00 0.00 176.35 175.78 2f3i s ILE 40 N -0.71 1.06 0.07 -0.59 -1.09 0.04 -0.89 121.20 119.09 2f3i s ILE 40 Ca -0.04 -0.79 -0.06 0.00 -2.23 0.00 0.00 60.65 57.53 2f3i s ILE 40 Cb -0.06 -0.93 -0.01 0.00 -1.58 0.00 0.00 42.46 39.88 2f3i s ILE 40 CO 0.00 0.13 0.12 -0.76 -1.23 0.00 0.00 174.94 173.19 2f3i s LEU 41 N -0.76 1.78 -0.34 2.97 1.02 -0.40 -0.59 118.68 122.36 2f3i s LEU 41 Ca 0.03 -0.76 -0.01 0.00 0.02 0.00 0.00 54.13 53.41 2f3i s LEU 41 Cb -0.07 0.75 0.12 0.00 0.02 0.00 0.00 46.19 47.02 2f3i s LEU 41 CO 0.00 -0.68 0.17 -0.62 0.02 0.00 0.00 176.35 175.24 2f3i s ASP 42 N -2.86 3.51 0.19 2.29 2.15 0.38 -0.39 116.67 121.95 2f3i s ASP 42 Ca 0.05 -1.90 -0.08 0.00 0.43 0.00 0.00 52.55 51.05 2f3i s ASP 42 Cb 0.06 -0.62 -0.01 0.00 -0.30 0.00 0.00 42.92 42.04 2f3i s ASP 42 CO -0.10 -0.36 0.30 0.54 -0.17 0.00 0.00 175.17 175.38 2f3i s VAL 43 N 1.35 0.04 0.37 1.11 0.11 -0.57 -1.52 120.40 121.29 2f3i s VAL 43 Ca 0.14 -1.52 -0.28 0.00 -2.93 0.00 0.00 61.98 57.39 2f3i s VAL 43 Cb -0.20 -2.07 -0.11 0.00 -1.53 0.00 0.00 36.38 32.47 2f3i s VAL 43 CO -0.16 -0.16 1.41 -3.20 -3.33 0.00 0.00 175.10 169.66 2f3i n ASN 44 N -0.27 3.36 -0.02 3.54 2.85 -1.26 -1.49 115.26 121.97 2f3i n ASN 44 Ca -0.04 1.21 0.00 0.00 -0.11 0.00 0.00 54.58 55.64 2f3i n ASN 44 Cb 0.63 -1.57 0.00 0.00 1.24 0.00 0.00 39.78 40.09 2f3i n ASN 44 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2f3i n ILE 45 N 0.32 0.00 0.26 -1.44 -6.64 0.41 -4.83 119.36 107.44 2f3i n ILE 45 Ca 0.03 -0.50 0.13 0.00 -1.77 0.00 0.00 62.75 60.64 2f3i n ILE 45 Cb 0.38 1.01 0.63 0.00 -1.44 0.00 0.00 39.64 40.22 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 0.09 0.00 0.00 6.28 3.07 -1.94 0.43 115.11 123.05 2f3i h GLN 46 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 2f3i h GLN 46 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.57 2f3i h GLN 46 CO 0.00 0.00 -0.24 0.82 0.09 0.00 0.00 178.83 179.50 2f3i h ILE 47 N 0.00 1.01 -3.38 1.86 5.03 -1.95 -3.46 117.51 116.62 2f3i h ILE 47 Ca 0.00 -0.86 -0.55 0.00 -0.12 0.00 0.00 64.86 63.32 2f3i h ILE 47 Cb 0.14 1.49 0.19 0.00 -3.03 0.00 0.00 36.82 35.61 2f3i h ILE 47 CO 0.00 0.23 -0.34 0.00 -0.68 0.00 0.00 178.15 177.37 2f3i n TYR 48 N -4.02 -0.65 -0.71 1.37 4.11 0.14 -4.84 117.16 112.56 2f3i n TYR 48 Ca -0.02 0.33 -0.09 0.00 -0.00 0.00 0.00 57.90 58.12 2f3i n TYR 48 Cb 0.31 -1.92 -0.11 0.00 -0.00 0.00 0.00 39.34 37.62 2f3i n TYR 48 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 2f3i n PRO 49 N -1.22 1.45 -0.00 -3.48 -0.04 -1.23 -4.80 135.00 125.68 2f3i n PRO 49 Ca 0.10 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 2f3i n PRO 49 Cb 0.51 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 2f3i n PRO 49 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2f3i n VAL 50 N 2.73 0.00 -0.12 0.52 0.24 -1.26 -3.94 118.33 116.50 2f3i n VAL 50 Ca 0.31 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.61 2f3i n VAL 50 Cb 0.61 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2f3i n VAL 50 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2f3i n ASP 51 N 0.00 0.00 -3.89 -1.34 2.03 -1.26 -5.12 116.55 106.97 2f3i n ASP 51 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 2f3i n ASP 51 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2f3i n ASP 51 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2f3i s LEU 52 N 0.00 -0.00 0.89 -2.67 2.34 -1.25 -5.18 118.68 112.79 2f3i s LEU 52 Ca 0.00 -0.70 -0.13 0.00 0.06 0.00 0.00 54.13 53.35 2f3i s LEU 52 Cb 0.00 2.29 0.15 0.00 -0.56 0.00 0.00 46.19 48.07 2f3i s LEU 52 CO 0.00 -1.23 1.24 -0.83 -1.06 0.00 0.00 176.35 174.47 2f3i s GLY 53 N -2.95 1.72 0.26 -3.48 0.00 -1.26 -3.54 107.32 98.07 2f3i s GLY 53 Ca 0.15 -1.07 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 2f3i s GLY 53 CO 0.06 -0.41 0.50 -0.35 0.00 0.00 0.00 173.10 172.90 2f3i s ASP 54 N -4.77 -0.01 0.54 1.64 2.15 -1.26 -4.77 116.67 110.19 2f3i s ASP 54 Ca 0.69 -0.97 -0.16 0.00 0.43 0.00 0.00 52.55 52.54 2f3i s ASP 54 Cb -0.06 0.61 -0.07 0.00 -0.30 0.00 0.00 42.92 43.10 2f3i s ASP 54 CO 0.51 -1.19 1.00 -0.54 -0.17 0.00 0.00 175.17 174.78 2f3i s LYS 55 N -3.86 3.80 0.20 4.34 1.02 -1.26 -4.02 119.74 119.95 2f3i s LYS 55 Ca 0.22 0.96 0.05 0.00 0.02 0.00 0.00 55.97 57.22 2f3i s LYS 55 Cb -0.01 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.14 2f3i s LYS 55 CO 0.10 -0.40 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.00 2f3i s PHE 56 N -2.69 1.52 -0.09 3.18 0.40 -0.11 -1.89 117.98 118.30 2f3i s PHE 56 Ca 0.59 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 2f3i s PHE 56 Cb -0.11 -0.81 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 2f3i s PHE 56 CO 0.36 0.12 -0.15 0.50 0.70 0.00 0.00 175.22 176.75 2f3i s ARG 57 N -3.76 2.96 -0.05 0.44 3.52 0.41 -1.06 118.95 121.41 2f3i s ARG 57 Ca 0.23 -0.72 0.03 0.00 -0.13 0.00 0.00 55.73 55.14 2f3i s ARG 57 Cb 0.03 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 2f3i s ARG 57 CO 0.06 0.38 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.61 2f3i s LEU 58 N -0.09 1.79 0.13 -0.88 2.96 -0.43 -1.55 118.68 120.61 2f3i s LEU 58 Ca -0.03 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2f3i s LEU 58 Cb -0.14 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 2f3i s LEU 58 CO 0.04 0.09 0.02 0.68 -1.32 0.00 0.00 176.35 175.86 2f3i s VAL 59 N 0.34 0.35 -0.03 1.68 -7.23 -0.03 -0.94 120.40 114.54 2f3i s VAL 59 Ca -0.09 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 2f3i s VAL 59 Cb -0.13 -1.98 0.06 0.00 0.56 0.00 0.00 36.38 34.89 2f3i s VAL 59 CO 0.03 -0.56 0.90 2.30 -0.31 0.00 0.00 175.10 177.46 2f3i n ILE 60 N -0.11 0.80 0.74 -0.62 -5.35 -1.07 -1.28 119.36 112.48 2f3i n ILE 60 Ca -0.07 -0.87 0.09 0.00 -0.27 0.00 0.00 62.75 61.63 2f3i n ILE 60 Cb 0.63 0.49 0.44 0.00 -1.74 0.00 0.00 39.64 39.45 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 1.93 -2.86 -1.28 0.00 -0.96 -1.10 120.51 115.75 2f3i n ALA 61 Ca 0.03 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 2f3i n ALA 61 Cb 0.44 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 2f3i n ALA 61 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2f3i s SER 62 N -2.88 -0.01 0.29 0.00 0.01 -1.25 -4.31 113.70 105.56 2f3i s SER 62 Ca 0.12 -0.97 -0.11 0.00 1.31 0.00 0.00 55.95 56.29 2f3i s SER 62 Cb 0.13 0.50 0.01 0.00 0.21 0.00 0.00 66.02 66.87 2f3i s SER 62 CO 0.34 -1.00 0.55 0.28 0.41 0.00 0.00 173.24 173.81 2f3i s THR 63 N -4.02 0.00 0.71 1.44 -1.32 -1.15 -3.69 115.64 107.61 2f3i s THR 63 Ca 0.23 -1.36 -0.11 0.00 -1.21 0.00 0.00 61.69 59.24 2f3i s THR 63 Cb 0.02 -2.39 0.02 0.00 -1.51 0.00 0.00 72.50 68.63 2f3i s THR 63 CO 0.06 0.00 1.10 -1.48 -2.21 0.00 0.00 174.62 172.09 2f3i s LEU 64 N -3.07 2.88 0.35 9.08 2.34 -1.26 -4.92 118.68 124.08 2f3i s LEU 64 Ca 0.22 1.15 0.04 0.00 0.06 0.00 0.00 54.13 55.60 2f3i s LEU 64 Cb -0.02 -3.94 -0.04 0.00 -0.56 0.00 0.00 46.19 41.63 2f3i s LEU 64 CO 0.12 -1.38 0.13 -0.31 -1.06 0.00 0.00 176.35 173.85 2f3i s TYR 65 N -3.34 1.74 0.73 3.48 2.02 -1.26 -4.93 117.35 115.79 2f3i s TYR 65 Ca 0.58 -1.27 -0.11 0.00 -0.37 0.00 0.00 57.07 55.90 2f3i s TYR 65 Cb -0.11 -1.05 0.03 0.00 -0.40 0.00 0.00 41.96 40.42 2f3i s TYR 65 CO 0.52 -0.35 1.07 -1.21 -1.57 0.00 0.00 175.55 174.01 2f3i s GLU 66 N -3.78 2.66 0.27 -0.62 2.02 -1.26 -4.97 118.70 113.02 2f3i s GLU 66 Ca 0.31 0.91 -0.03 0.00 0.02 0.00 0.00 54.97 56.17 2f3i s GLU 66 Cb 0.05 -1.96 0.35 0.00 0.10 0.00 0.00 34.13 32.66 2f3i s GLU 66 CO 0.16 -1.28 1.86 0.22 0.02 0.00 0.00 175.26 176.24 2f3i h ASP 67 N -0.85 0.93 0.08 -0.19 3.58 -2.01 -2.36 116.42 115.60 2f3i h ASP 67 Ca -0.45 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 56.88 2f3i h ASP 67 Cb 1.23 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.04 2f3i h ASP 67 CO 0.57 0.80 -0.06 1.23 -2.88 0.00 0.00 179.24 178.90 2f3i h GLY 68 N 1.07 0.00 2.00 -0.78 0.00 -1.97 0.38 103.07 103.77 2f3i h GLY 68 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 2f3i h GLY 68 CO -0.03 0.00 -0.11 -0.84 0.00 0.00 0.00 176.54 175.57 2f3i h THR 69 N 0.00 0.47 0.00 4.70 2.02 -1.80 -3.21 112.91 115.09 2f3i h THR 69 Ca -0.00 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2f3i h THR 69 Cb 0.12 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2f3i h THR 69 CO 0.01 0.10 -1.06 0.18 0.37 0.00 0.00 175.52 175.12 2f3i n LEU 70 N -3.53 0.00 0.18 2.58 4.77 -0.86 -4.56 117.00 115.57 2f3i n LEU 70 Ca -0.02 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 2f3i n LEU 70 Cb 0.24 0.02 0.66 0.00 -2.33 0.00 0.00 43.42 42.01 2f3i n LEU 70 CO 0.29 0.02 0.88 -0.78 -1.33 0.00 0.00 177.39 176.47 2f3i h ASP 71 N 0.00 0.00 0.09 -1.43 3.58 -1.01 0.17 116.42 117.82 2f3i h ASP 71 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2f3i h ASP 71 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2f3i h ASP 71 CO 0.00 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.69 2f3i n ASP 72 N -2.38 0.54 0.00 2.28 2.03 -1.21 -4.36 116.55 113.45 2f3i n ASP 72 Ca -0.01 0.74 0.00 0.00 0.52 0.00 0.00 54.79 56.04 2f3i n ASP 72 Cb 0.07 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 2f3i n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f3i n GLY 73 N -1.15 0.13 3.76 0.27 0.00 -0.94 -5.01 105.19 102.26 2f3i n GLY 73 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.33 -1.64 1.61 2.13 0.55 -4.88 120.64 117.07 2f3i n GLU 74 Ca 0.00 0.40 -0.46 0.00 0.66 0.00 0.00 57.16 57.76 2f3i n GLU 74 Cb 0.04 -3.95 -0.03 0.00 0.27 0.00 0.00 31.44 27.76 2f3i n GLU 74 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2f3i n TYR 75 N -4.33 1.93 -3.60 4.31 4.01 -1.26 -4.99 117.16 113.23 2f3i n TYR 75 Ca -0.12 0.48 -0.22 0.00 -0.16 0.00 0.00 57.90 57.88 2f3i n TYR 75 Cb 0.60 -2.42 -0.16 0.00 -0.31 0.00 0.00 39.34 37.05 2f3i n TYR 75 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2f3i s ASN 76 N 0.32 1.70 0.00 7.72 3.84 -1.26 -5.03 114.94 122.23 2f3i s ASN 76 Ca 0.72 -0.28 0.01 0.00 0.21 0.00 0.00 52.86 53.53 2f3i s ASN 76 Cb -0.72 -0.01 0.07 0.00 -0.55 0.00 0.00 41.25 40.05 2f3i s ASN 76 CO 0.48 -0.31 0.81 -2.65 -2.79 0.00 0.00 177.10 172.64 2f3i n PRO 77 N 5.30 0.02 0.00 0.43 -0.02 -1.26 -4.86 135.00 134.61 2f3i n PRO 77 Ca -0.06 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2f3i n PRO 77 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 -1.25 0.00 0.26 3.45 -1.04 -1.26 -4.49 114.28 109.96 2f3i n THR 78 Ca 0.01 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.16 2f3i n THR 78 Cb 0.01 0.00 0.69 0.00 -1.82 0.00 0.00 70.33 69.21 2f3i n THR 78 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2f3i h ASP 79 N 0.00 0.00 -0.71 8.00 3.58 -2.02 -2.72 116.42 122.55 2f3i h ASP 79 Ca 0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2f3i h ASP 79 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2f3i h ASP 79 CO 0.00 0.11 0.45 -0.78 -2.88 0.00 0.00 179.24 176.14 2f3i h ASP 80 N 0.00 0.76 -0.37 2.28 3.58 -1.95 -3.31 116.42 117.40 2f3i h ASP 80 Ca -0.00 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 2f3i h ASP 80 Cb 0.45 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2f3i h ASP 80 CO 0.01 0.53 0.00 0.03 -2.88 0.00 0.00 179.24 176.94 2f3i h ARG 81 N 0.90 0.65 -0.04 0.28 3.08 -1.86 0.62 114.38 118.01 2f3i h ARG 81 Ca 0.28 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2f3i h ARG 81 Cb -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2f3i h ARG 81 CO -0.09 0.75 0.00 -0.35 -1.07 0.00 0.00 179.97 179.21 2f3i n PRO 82 N -4.49 0.95 -0.00 0.04 -0.04 -1.25 -3.62 135.00 126.59 2f3i n PRO 82 Ca -0.01 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2f3i n PRO 82 Cb 0.28 -1.02 -0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2f3i n PRO 82 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2f3i n SER 83 N -0.48 4.84 -1.06 3.54 7.64 -0.64 -5.14 113.62 122.33 2f3i n SER 83 Ca 0.00 -0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 2f3i n SER 83 Cb 0.01 0.46 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 2f3i n SER 83 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2f3i n ARG 84 N -2.06 -1.26 0.07 1.43 1.74 0.12 -3.98 116.66 112.72 2f3i n ARG 84 Ca -0.00 0.83 0.07 0.00 -0.77 0.00 0.00 57.85 57.98 2f3i n ARG 84 Cb 0.51 -1.54 0.34 0.00 -1.02 0.00 0.00 32.46 30.75 2f3i n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2f3i n ALA 85 N -1.02 1.34 0.26 7.54 0.00 -1.26 -2.58 120.51 124.79 2f3i n ALA 85 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.64 2f3i n ALA 85 Cb 0.29 -1.23 0.75 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.32 0.00 3.58 -1.99 -1.06 116.42 116.63 2f3i h ASP 86 Ca 0.00 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2f3i h ASP 86 Cb 0.15 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2f3i h ASP 86 CO 0.00 0.00 0.37 1.56 -2.88 0.00 0.00 179.24 178.29 2f3i h GLN 87 N 0.00 0.00 -4.74 0.28 4.20 -1.67 -3.45 115.11 109.73 2f3i h GLN 87 Ca 0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 2f3i h GLN 87 Cb 0.35 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.00 2f3i h GLN 87 CO 0.00 0.00 -0.46 -0.06 -0.67 0.00 0.00 178.83 177.64 2f3i s PHE 88 N -4.58 1.57 0.00 2.96 0.08 -0.40 -5.00 117.98 112.61 2f3i s PHE 88 Ca -0.04 -1.57 0.00 0.00 0.12 0.00 0.00 56.93 55.44 2f3i s PHE 88 Cb 0.15 -0.60 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 2f3i s PHE 88 CO 0.53 -0.88 0.00 -1.91 -0.10 0.00 0.00 175.22 172.86 2f3i n GLU 89 N -0.57 0.00 -3.85 0.44 4.07 -1.10 -4.93 120.64 114.69 2f3i n GLU 89 Ca 0.06 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.04 2f3i n GLU 89 Cb 0.63 -0.32 -0.11 0.00 -0.06 0.00 0.00 31.44 31.57 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 -1.08 -0.04 -0.02 4.31 5.04 -0.54 -5.02 117.35 119.99 2f3i s TYR 90 Ca 0.00 0.10 -0.03 0.00 -2.44 0.00 0.00 57.07 54.70 2f3i s TYR 90 Cb 0.00 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.31 2f3i s TYR 90 CO 0.00 -0.17 0.09 0.54 -1.34 0.00 0.00 175.55 174.67 2f3i s VAL 91 N -0.63 0.02 0.16 3.14 0.11 -1.26 -0.95 120.40 120.99 2f3i s VAL 91 Ca -0.07 -0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 58.58 2f3i s VAL 91 Cb -0.04 -0.19 0.06 0.00 -1.53 0.00 0.00 36.38 34.68 2f3i s VAL 91 CO 0.01 -0.10 0.57 -0.32 -3.33 0.00 0.00 175.10 171.93 2f3i s MET 92 N -0.29 1.28 -0.27 1.54 1.75 0.41 -4.73 119.30 119.00 2f3i s MET 92 Ca -0.04 -0.55 -0.00 0.00 -1.25 0.00 0.00 55.69 53.85 2f3i s MET 92 Cb -0.02 0.57 0.08 0.00 2.84 0.00 0.00 34.83 38.30 2f3i s MET 92 CO 0.00 -0.55 0.04 -0.47 -0.65 0.00 0.00 175.02 173.39 2f3i s TYR 93 N -3.77 1.90 0.22 4.11 6.14 -1.26 -1.66 117.35 123.03 2f3i s TYR 93 Ca 0.02 -1.65 0.01 0.00 0.64 0.00 0.00 57.07 56.09 2f3i s TYR 93 Cb -0.01 -1.62 0.04 0.00 0.42 0.00 0.00 41.96 40.79 2f3i s TYR 93 CO -0.11 -0.80 0.30 0.41 0.64 0.00 0.00 175.55 175.99 2f3i n GLY 94 N 4.80 1.13 3.01 8.97 0.00 0.19 -4.68 105.19 118.61 2f3i n GLY 94 Ca -0.06 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.12 1.48 0.36 1.61 1.02 -0.09 -4.61 119.74 116.39 2f3i s LYS 95 Ca 0.21 -1.81 -0.27 0.00 0.02 0.00 0.00 55.97 54.12 2f3i s LYS 95 Cb -0.01 -3.13 -0.09 0.00 -0.52 0.00 0.00 37.83 34.07 2f3i s LYS 95 CO 0.14 -0.92 1.19 0.54 -0.92 0.00 0.00 175.35 175.37 2f3i s VAL 96 N 0.95 3.11 -0.04 3.17 0.11 -1.26 -1.11 120.40 125.32 2f3i s VAL 96 Ca 0.10 1.02 0.00 0.00 -2.93 0.00 0.00 61.98 60.17 2f3i s VAL 96 Cb -0.19 -3.61 0.03 0.00 -1.53 0.00 0.00 36.38 31.07 2f3i s VAL 96 CO -0.09 0.17 -0.01 -0.31 -3.33 0.00 0.00 175.10 171.53 2f3i s TYR 97 N -1.29 0.51 0.21 1.54 2.02 -0.22 -4.85 117.35 115.28 2f3i s TYR 97 Ca 0.52 -0.09 -0.07 0.00 -0.37 0.00 0.00 57.07 57.06 2f3i s TYR 97 Cb -0.33 -0.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 2f3i s TYR 97 CO 0.43 -0.19 0.30 -0.98 -1.57 0.00 0.00 175.55 173.54 2f3i s ARG 98 N 1.24 1.34 0.20 -0.62 1.70 -1.26 -0.32 118.95 121.22 2f3i s ARG 98 Ca -0.06 -1.39 0.02 0.00 -0.47 0.00 0.00 55.73 53.82 2f3i s ARG 98 Cb -0.13 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 2f3i s ARG 98 CO -0.02 -0.50 0.02 0.96 -1.08 0.00 0.00 175.30 174.68 2f3i s ILE 99 N -4.07 0.66 -1.60 4.99 -4.36 -1.13 -5.02 121.20 110.67 2f3i s ILE 99 Ca 0.28 -1.99 0.10 0.00 -0.26 0.00 0.00 60.65 58.78 2f3i s ILE 99 Cb 0.03 -2.25 0.21 0.00 1.25 0.00 0.00 42.46 41.70 2f3i s ILE 99 CO 0.09 -0.36 1.16 -1.84 0.24 0.00 0.00 174.94 174.23 2f3i n GLU 100 N -0.30 0.20 0.00 0.37 0.28 -1.26 -4.24 120.64 115.68 2f3i n GLU 100 Ca -0.05 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2f3i n GLU 100 Cb 0.64 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.01 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 -0.42 2.20 0.34 -1.84 0.00 -1.26 -2.70 105.19 101.51 2f3i n GLY 101 Ca 0.06 -1.67 0.18 0.00 0.00 0.00 0.00 46.02 44.58 2f3i n GLY 101 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2f3i h ASP 102 N 0.00 0.00 0.00 1.61 3.58 -1.90 -3.44 116.42 116.26 2f3i h ASP 102 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 102 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2f3i h ASP 102 CO 0.00 0.00 0.00 1.21 -2.88 0.00 0.00 179.24 177.57 2f3i n GLU 103 N -3.43 0.00 -4.25 0.28 2.13 -1.26 -5.09 120.64 109.02 2f3i n GLU 103 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2f3i n GLU 103 Cb 0.31 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.92 2f3i n GLU 103 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2f3i s THR 104 N 1.97 0.51 0.00 6.31 -4.23 -1.26 -1.75 115.64 117.18 2f3i s THR 104 Ca 0.00 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 2f3i s THR 104 Cb 0.00 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.51 2f3i s THR 104 CO 0.00 -0.26 0.00 -1.20 -0.54 0.00 0.00 174.62 172.62 2f3i n SER 105 N -0.31 1.66 0.11 3.99 7.64 0.17 -4.68 113.62 122.21 2f3i n SER 105 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2f3i n SER 105 Cb 0.65 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 2f3i n SER 105 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2f3i n THR 106 N -1.74 0.44 -2.05 0.44 -2.24 -1.26 -4.98 114.28 102.89 2f3i n THR 106 Ca 0.00 0.15 -0.01 0.00 -2.27 0.00 0.00 64.05 61.91 2f3i n THR 106 Cb 0.20 -0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 2f3i n THR 106 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2f3i n GLU 107 N -3.46 0.00 0.00 -0.78 0.28 -1.26 -5.07 120.64 110.35 2f3i n GLU 107 Ca 0.00 -0.63 0.00 0.00 -0.16 0.00 0.00 57.16 56.37 2f3i n GLU 107 Cb 0.00 0.03 0.00 0.00 1.43 0.00 0.00 31.44 32.90 2f3i n GLU 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2f3i n ALA 108 N 0.05 0.00 -1.72 -1.84 0.00 -1.26 -5.02 120.51 110.71 2f3i n ALA 108 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 2f3i n ALA 108 Cb 0.65 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.87 2.49 -1.63 0.00 0.00 -0.72 -0.66 121.76 119.37 2f3i s ALA 109 Ca 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 51.96 51.73 2f3i s ALA 109 Cb 0.00 -3.05 0.73 0.00 0.00 0.00 0.00 23.12 20.80 2f3i s ALA 109 CO 0.00 -1.57 1.31 2.41 0.00 0.00 0.00 175.76 177.91 2f3i n THR 110 N -3.30 0.42 -3.99 0.00 -1.04 -1.26 -4.33 114.28 100.78 2f3i n THR 110 Ca 0.07 0.10 -0.14 0.00 -2.04 0.00 0.00 64.05 62.05 2f3i n THR 110 Cb 0.58 -0.89 -0.14 0.00 -1.82 0.00 0.00 70.33 68.06 2f3i n THR 110 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2f3i s ARG 111 N -2.37 0.19 0.63 -2.82 3.00 -1.26 -4.77 118.95 111.55 2f3i s ARG 111 Ca 0.15 -0.09 -0.13 0.00 0.00 0.00 0.00 55.73 55.67 2f3i s ARG 111 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 34.95 34.85 2f3i s ARG 111 CO 0.19 0.05 1.05 -1.17 0.00 0.00 0.00 175.30 175.41 2f3i s LEU 112 N -0.07 3.31 0.01 2.53 2.96 0.49 -4.31 118.68 123.60 2f3i s LEU 112 Ca 0.01 1.65 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 2f3i s LEU 112 Cb -0.01 -4.50 -0.01 0.00 0.50 0.00 0.00 46.19 42.16 2f3i s LEU 112 CO -0.00 -1.19 -0.02 -0.44 -1.32 0.00 0.00 176.35 173.38 2f3i s SER 113 N -3.46 0.15 0.10 3.68 0.01 -1.26 -1.61 113.70 111.31 2f3i s SER 113 Ca 0.59 -0.31 -0.10 0.00 1.31 0.00 0.00 55.95 57.45 2f3i s SER 113 Cb -0.14 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.16 2f3i s SER 113 CO 0.47 -0.18 0.22 0.00 0.41 0.00 0.00 173.24 174.15 2f3i s ALA 114 N -0.89 -0.31 0.10 1.44 0.00 -0.50 -2.83 121.76 118.77 2f3i s ALA 114 Ca -0.10 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.39 2f3i s ALA 114 Cb -0.06 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2f3i s ALA 114 CO -0.01 -0.53 -0.21 0.71 0.00 0.00 0.00 175.76 175.72 2f3i s TYR 115 N -3.86 1.82 -0.10 0.00 2.02 0.56 -0.77 117.35 117.02 2f3i s TYR 115 Ca 0.05 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2f3i s TYR 115 Cb 0.04 -1.00 0.05 0.00 -0.40 0.00 0.00 41.96 40.65 2f3i s TYR 115 CO -0.11 0.21 0.11 0.08 -1.57 0.00 0.00 175.55 174.27 2f3i s VAL 116 N -1.14 -0.16 -0.16 0.71 1.01 -0.27 -1.05 120.40 119.33 2f3i s VAL 116 Ca 0.07 0.19 -0.23 0.00 0.00 0.00 0.00 61.98 62.00 2f3i s VAL 116 Cb -0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 2f3i s VAL 116 CO 0.04 -0.00 0.74 -0.44 0.00 0.00 0.00 175.10 175.44 2f3i s SER 117 N 2.20 6.87 0.55 3.32 0.01 -0.27 -0.96 113.70 125.42 2f3i s SER 117 Ca 0.04 1.06 -0.05 0.00 1.31 0.00 0.00 55.95 58.31 2f3i s SER 117 Cb -0.14 -2.41 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 2f3i s SER 117 CO -0.06 -0.31 0.86 -0.31 0.41 0.00 0.00 173.24 173.82 2f3i s TYR 118 N 1.86 3.34 0.00 2.43 1.51 0.61 -0.91 117.35 126.19 2f3i s TYR 118 Ca 0.35 0.67 -0.18 0.00 -1.01 0.00 0.00 57.07 56.90 2f3i s TYR 118 Cb -0.16 -2.60 -0.23 0.00 -0.11 0.00 0.00 41.96 38.86 2f3i s TYR 118 CO 0.13 -0.65 1.25 0.41 -1.11 0.00 0.00 175.55 175.58 2f3i n GLY 119 N -2.47 0.73 0.00 0.71 0.00 -1.26 -1.97 105.19 100.93 2f3i n GLY 119 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 4.47 1.32 3.25 -0.02 0.00 -1.26 -5.11 105.19 107.83 2f3i n GLY 120 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 2f3i n GLY 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f3i n LEU 121 N 0.00 0.00 -3.61 0.99 7.99 -0.83 -5.06 117.00 116.48 2f3i n LEU 121 Ca 0.00 -3.19 -0.11 0.00 -0.01 0.00 0.00 56.01 52.70 2f3i n LEU 121 Cb 0.00 1.64 -0.04 0.00 -0.11 0.00 0.00 43.42 44.91 2f3i n LEU 121 CO 0.00 -0.53 0.20 -0.22 -1.51 0.00 0.00 177.39 175.34 2f3i s LEU 122 N 0.00 0.23 0.12 2.23 0.20 -0.57 -0.28 118.68 120.60 2f3i s LEU 122 Ca 0.39 -0.29 -0.12 0.00 0.69 0.00 0.00 54.13 54.80 2f3i s LEU 122 Cb 0.02 1.98 0.01 0.00 -0.43 0.00 0.00 46.19 47.77 2f3i s LEU 122 CO 0.27 -0.89 0.30 0.00 -0.29 0.00 0.00 176.35 175.74 2f3i s MET 123 N -3.80 1.02 -0.00 1.98 0.23 -0.14 -0.47 119.30 118.12 2f3i s MET 123 Ca 0.03 -0.93 0.01 0.00 -1.03 0.00 0.00 55.69 53.78 2f3i s MET 123 Cb 0.01 0.40 -0.00 0.00 -1.53 0.00 0.00 34.83 33.71 2f3i s MET 123 CO -0.11 -0.37 -0.03 1.03 -2.03 0.00 0.00 175.02 173.51 2f3i s ARG 124 N -3.87 0.26 -0.01 3.16 0.52 0.24 -1.12 118.95 118.14 2f3i s ARG 124 Ca 0.07 -0.11 -0.06 0.00 -0.52 0.00 0.00 55.73 55.11 2f3i s ARG 124 Cb 0.03 -0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.25 2f3i s ARG 124 CO -0.08 0.07 0.11 -1.17 0.02 0.00 0.00 175.30 174.25 2f3i s LEU 125 N -0.07 1.63 0.09 2.53 0.20 0.05 -0.78 118.68 122.34 2f3i s LEU 125 Ca 0.01 -0.15 0.06 0.00 0.69 0.00 0.00 54.13 54.74 2f3i s LEU 125 Cb -0.01 0.56 -0.03 0.00 -0.43 0.00 0.00 46.19 46.27 2f3i s LEU 125 CO -0.00 -0.30 -0.16 -1.10 -0.29 0.00 0.00 176.35 174.51 2f3i s GLN 126 N -1.10 0.95 0.03 1.98 -0.21 -0.53 -1.41 119.66 119.38 2f3i s GLN 126 Ca -0.12 -1.09 -0.28 0.00 0.02 0.00 0.00 55.36 53.89 2f3i s GLN 126 Cb -0.07 -0.97 0.10 0.00 1.00 0.00 0.00 33.01 33.07 2f3i s GLN 126 CO 0.01 0.21 1.21 0.20 -2.12 0.00 0.00 175.29 174.80 2f3i s GLY 127 N -2.00 -0.26 0.33 3.09 0.00 -0.64 -1.11 107.32 106.74 2f3i s GLY 127 Ca 0.03 0.34 -0.28 0.00 0.00 0.00 0.00 44.72 44.82 2f3i s GLY 127 CO 0.03 1.52 1.25 1.34 0.00 0.00 0.00 173.10 177.24 2f3i n ASP 128 N -0.70 2.57 -0.40 1.64 -0.08 -1.26 -0.38 116.55 117.94 2f3i n ASP 128 Ca -0.05 1.20 -0.11 0.00 -1.51 0.00 0.00 54.79 54.33 2f3i n ASP 128 Cb 0.61 -1.46 -0.10 0.00 2.34 0.00 0.00 41.12 42.52 2f3i n ASP 128 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f3i n ALA 129 N 0.33 -0.61 -0.21 -1.67 0.00 -1.26 -0.74 120.51 116.34 2f3i n ALA 129 Ca 0.05 0.81 0.00 0.00 0.00 0.00 0.00 53.44 54.30 2f3i n ALA 129 Cb 0.35 -0.11 0.23 0.00 0.00 0.00 0.00 19.45 19.92 2f3i n ALA 129 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2f3i h ASN 130 N 0.00 0.87 0.57 0.00 -1.24 -2.01 -1.12 115.58 112.65 2f3i h ASN 130 Ca 0.15 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 2f3i h ASN 130 Cb 0.39 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.22 2f3i h ASN 130 CO -0.90 0.65 -0.12 0.78 -1.29 0.00 0.00 177.43 176.56 2f3i h ASN 131 N 1.01 0.00 0.63 1.15 2.35 -1.41 -2.33 115.58 116.99 2f3i h ASN 131 Ca 0.27 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 2f3i h ASN 131 Cb -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2f3i h ASN 131 CO -0.05 0.12 -0.32 0.25 -1.65 0.00 0.00 177.43 175.77 2f3i h LEU 132 N 0.00 0.00 -1.15 1.61 6.46 0.41 -3.47 115.31 119.17 2f3i h LEU 132 Ca -0.00 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 57.17 2f3i h LEU 132 Cb 0.43 0.00 -0.30 0.00 -0.73 0.00 0.00 40.66 40.07 2f3i h LEU 132 CO 0.02 0.32 -0.87 1.57 -0.62 0.00 0.00 178.44 178.86 2f3i n HIS 133 N -3.69 -1.45 -2.64 1.25 -0.00 -0.88 -4.77 115.22 103.04 2f3i n HIS 133 Ca -0.01 0.75 -0.03 0.00 0.46 0.00 0.00 57.72 58.89 2f3i n HIS 133 Cb 0.43 -2.40 0.09 0.00 -0.12 0.00 0.00 29.99 27.98 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 -1.23 1.05 0.00 1.57 0.00 -1.26 -4.77 105.19 100.55 2f3i n GLY 134 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2f3i n GLY 134 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f3i n PHE 135 N -0.97 0.00 -4.54 1.61 3.72 -1.26 -4.33 117.46 111.69 2f3i n PHE 135 Ca -0.12 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.05 2f3i n PHE 135 Cb 0.78 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.16 2f3i n PHE 135 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2f3i s GLU 136 N -2.00 1.22 0.00 -1.08 2.12 -1.26 -5.00 118.70 112.70 2f3i s GLU 136 Ca 0.02 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.94 2f3i s GLU 136 Cb 0.01 -1.11 0.00 0.00 0.26 0.00 0.00 34.13 33.29 2f3i s GLU 136 CO 0.02 0.17 0.68 1.33 -0.54 0.00 0.00 175.26 176.91 2f3i n VAL 137 N 3.21 0.87 -1.42 3.70 0.24 -1.26 -0.92 118.33 122.75 2f3i n VAL 137 Ca -0.18 0.25 0.02 0.00 -2.04 0.00 0.00 64.34 62.39 2f3i n VAL 137 Cb 0.54 -1.25 0.03 0.00 -1.47 0.00 0.00 33.84 31.68 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 -1.18 0.63 -0.11 -1.34 2.03 -1.26 -4.59 116.55 110.73 2f3i n ASP 138 Ca 0.00 -1.98 -0.22 0.00 0.52 0.00 0.00 54.79 53.11 2f3i n ASP 138 Cb 0.04 -0.18 -0.07 0.00 -0.72 0.00 0.00 41.12 40.18 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 -0.32 1.71 0.00 1.67 7.64 -0.10 -4.61 113.62 119.61 2f3i n SER 139 Ca 0.03 0.29 0.12 0.00 1.01 0.00 0.00 58.87 60.33 2f3i n SER 139 Cb 0.60 -0.70 0.71 0.00 -1.01 0.00 0.00 64.21 63.81 2f3i n SER 139 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2f3i n ARG 140 N -4.13 0.79 -0.26 1.43 3.00 -0.80 -2.29 116.66 114.40 2f3i n ARG 140 Ca -0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.39 2f3i n ARG 140 Cb 0.76 -1.48 0.05 0.00 0.00 0.00 0.00 32.46 31.79 2f3i n ARG 140 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2f3i h VAL 141 N 0.00 1.24 -3.15 5.15 -1.51 -1.81 -3.44 116.25 112.72 2f3i h VAL 141 Ca 0.00 -0.68 -0.53 0.00 -1.23 0.00 0.00 66.70 64.26 2f3i h VAL 141 Cb 0.00 0.36 0.02 0.00 -2.13 0.00 0.00 31.29 29.54 2f3i h VAL 141 CO 0.00 0.28 0.64 -0.31 -1.23 0.00 0.00 177.57 176.96 2f3i s TYR 142 N -5.67 3.33 -0.15 5.19 2.02 -0.97 -0.64 117.35 120.46 2f3i s TYR 142 Ca -0.13 1.15 -0.10 0.00 -0.37 0.00 0.00 57.07 57.62 2f3i s TYR 142 Cb 0.14 -3.56 0.05 0.00 -0.40 0.00 0.00 41.96 38.20 2f3i s TYR 142 CO 0.81 -1.83 0.38 -1.17 -1.57 0.00 0.00 175.55 172.17 2f3i s LEU 143 N 0.83 0.21 -0.07 -1.29 0.20 -0.67 -4.64 118.68 113.26 2f3i s LEU 143 Ca 0.61 0.81 -0.05 0.00 0.69 0.00 0.00 54.13 56.18 2f3i s LEU 143 Cb -0.34 1.27 0.03 0.00 -0.43 0.00 0.00 46.19 46.72 2f3i s LEU 143 CO 0.31 -0.17 0.17 -0.22 -0.29 0.00 0.00 176.35 176.16 2f3i s LEU 144 N 0.90 1.02 0.06 -0.68 0.20 -0.40 -0.44 118.68 119.33 2f3i s LEU 144 Ca -0.06 0.35 -0.04 0.00 0.69 0.00 0.00 54.13 55.08 2f3i s LEU 144 Cb -0.06 0.53 -0.03 0.00 -0.43 0.00 0.00 46.19 46.20 2f3i s LEU 144 CO -0.07 -0.10 0.05 0.00 -0.29 0.00 0.00 176.35 175.93 2f3i s MET 145 N 0.61 0.66 0.15 1.98 0.23 -0.13 -0.85 119.30 121.95 2f3i s MET 145 Ca -0.04 -1.07 -0.04 0.00 -1.03 0.00 0.00 55.69 53.50 2f3i s MET 145 Cb -0.06 0.25 0.02 0.00 -1.53 0.00 0.00 34.83 33.51 2f3i s MET 145 CO -0.03 -0.16 0.27 0.36 -2.03 0.00 0.00 175.02 173.44 2f3i n LYS 146 N 0.19 0.39 -0.53 3.16 2.85 -0.59 -1.46 118.16 122.17 2f3i n LYS 146 Ca -0.15 -0.91 -0.28 0.00 -1.05 0.00 0.00 58.31 55.91 2f3i n LYS 146 Cb 0.61 1.06 0.26 0.00 -0.65 0.00 0.00 35.03 36.31 2f3i n LYS 146 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2f3i s LYS 147 N -2.11 -1.07 0.79 -1.58 1.02 -1.26 -0.45 119.74 115.08 2f3i s LYS 147 Ca 0.07 0.82 -0.17 0.00 0.02 0.00 0.00 55.97 56.72 2f3i s LYS 147 Cb -0.01 -1.54 -0.10 0.00 -0.52 0.00 0.00 37.83 35.66 2f3i s LYS 147 CO 0.05 -3.82 -0.15 1.47 -0.92 0.00 0.00 175.35 171.99 2f3i n LEU 148 N -4.98 -3.00 -3.50 3.17 -0.00 -0.79 -3.29 117.00 104.61 2f3i n LEU 148 Ca 0.03 0.43 -0.40 0.00 -0.00 0.00 0.00 56.01 56.07 2f3i n LEU 148 Cb 0.54 -0.95 -0.01 0.00 -0.00 0.00 0.00 43.42 43.00 2f3i n LEU 148 CO 0.58 -4.69 2.90 0.00 -0.00 0.00 0.00 177.39 176.18 2f3i n ALA 149 N -2.31 6.72 -1.31 1.47 0.00 -1.26 -4.82 120.51 118.99 2f3i n ALA 149 Ca 0.05 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.69 2f3i n ALA 149 Cb 0.52 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 16.70 2f3i n ALA 149 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84