#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3i s ALA 2 N 0.00 1.90 0.00 -5.12 0.00 -1.26 -4.16 121.76 113.12 2f3i s ALA 2 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2f3i s ALA 2 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2f3i s ALA 2 CO 0.00 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.11 2f3i n GLY 3 N -1.82 1.23 1.72 0.00 0.00 -1.02 -4.85 105.19 100.47 2f3i n GLY 3 Ca 0.07 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 2f3i n GLY 3 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2f3i n ILE 4 N -1.25 2.21 0.22 -0.61 -5.35 -1.26 -2.45 119.36 110.87 2f3i n ILE 4 Ca 0.00 -0.82 0.05 0.00 -0.27 0.00 0.00 62.75 61.72 2f3i n ILE 4 Cb 0.00 -1.65 0.50 0.00 -1.74 0.00 0.00 39.64 36.75 2f3i n ILE 4 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2f3i h LEU 5 N 3.83 0.01 -7.73 7.28 5.85 -1.91 -3.44 115.31 119.19 2f3i h LEU 5 Ca 0.07 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2f3i h LEU 5 Cb 1.11 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.04 2f3i h LEU 5 CO 0.09 0.19 -0.03 0.72 -0.34 0.00 0.00 178.44 179.07 2f3i s PHE 6 N -4.65 -0.04 0.01 1.25 -0.12 -1.26 -5.01 117.98 108.15 2f3i s PHE 6 Ca -0.04 -0.31 -0.13 0.00 -0.05 0.00 0.00 56.93 56.40 2f3i s PHE 6 Cb 0.16 0.32 0.02 0.00 -0.63 0.00 0.00 43.02 42.88 2f3i s PHE 6 CO 0.70 -0.88 0.27 -2.00 -0.05 0.00 0.00 175.22 173.26 2f3i s GLU 7 N -3.89 0.67 -0.02 1.99 2.12 -1.26 -3.70 118.70 114.62 2f3i s GLU 7 Ca 0.10 -0.33 -0.11 0.00 0.36 0.00 0.00 54.97 55.00 2f3i s GLU 7 Cb -0.00 0.29 0.01 0.00 0.26 0.00 0.00 34.13 34.70 2f3i s GLU 7 CO -0.03 -0.19 0.23 0.34 -0.54 0.00 0.00 175.26 175.07 2f3i s ASP 8 N -1.56 -0.12 -0.06 -1.70 2.15 -0.14 -5.01 116.67 110.23 2f3i s ASP 8 Ca -0.11 0.05 0.04 0.00 0.43 0.00 0.00 52.55 52.95 2f3i s ASP 8 Cb -0.04 0.31 -0.02 0.00 -0.30 0.00 0.00 42.92 42.86 2f3i s ASP 8 CO 0.02 -0.35 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.87 2f3i s ILE 9 N -1.07 2.77 0.20 4.11 1.09 -1.26 -0.72 121.20 126.31 2f3i s ILE 9 Ca -0.11 -0.82 -0.00 0.00 -1.10 0.00 0.00 60.65 58.62 2f3i s ILE 9 Cb -0.06 -2.08 -0.04 0.00 -1.06 0.00 0.00 42.46 39.23 2f3i s ILE 9 CO 0.02 0.57 0.09 0.72 -0.10 0.00 0.00 174.94 176.25 2f3i s PHE 10 N -0.40 1.22 -0.10 3.97 -0.12 -0.30 -0.60 117.98 121.65 2f3i s PHE 10 Ca 0.04 -1.26 -0.00 0.00 -0.05 0.00 0.00 56.93 55.66 2f3i s PHE 10 Cb -0.12 -0.66 0.02 0.00 -0.63 0.00 0.00 43.02 41.63 2f3i s PHE 10 CO 0.02 -0.49 -0.06 0.34 -0.05 0.00 0.00 175.22 174.98 2f3i s ASP 11 N -3.19 1.94 0.12 1.98 2.15 -0.07 -1.21 116.67 118.40 2f3i s ASP 11 Ca 0.35 -0.24 -0.31 0.00 0.43 0.00 0.00 52.55 52.77 2f3i s ASP 11 Cb 0.07 -0.72 -0.09 0.00 -0.30 0.00 0.00 42.92 41.87 2f3i s ASP 11 CO 0.10 -0.12 1.64 -0.69 -0.17 0.00 0.00 175.17 175.93 2f3i s VAL 12 N 1.65 2.74 -0.14 1.11 1.01 -0.83 -1.20 120.40 124.73 2f3i s VAL 12 Ca 0.03 0.39 0.12 0.00 0.00 0.00 0.00 61.98 62.52 2f3i s VAL 12 Cb -0.13 -3.25 -0.17 0.00 0.00 0.00 0.00 36.38 32.83 2f3i s VAL 12 CO -0.06 0.01 0.04 0.29 0.00 0.00 0.00 175.10 175.38 2f3i n LYS 13 N 4.81 1.59 -3.82 2.72 4.76 0.54 -4.59 118.16 124.17 2f3i n LYS 13 Ca 0.15 -0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.50 2f3i n LYS 13 Cb 0.39 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 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 -4.82 -0.23 0.00 4.39 2.15 -0.63 -5.00 116.67 112.53 2f3i s ASP 14 Ca -0.08 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.30 2f3i s ASP 14 Cb 0.04 0.63 -0.00 0.00 -0.30 0.00 0.00 42.92 43.29 2f3i s ASP 14 CO 0.58 -1.16 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.78 2f3i s ILE 15 N -3.92 0.05 -0.34 4.11 1.09 -1.26 -1.29 121.20 119.64 2f3i s ILE 15 Ca 0.12 -0.06 0.02 0.00 -1.10 0.00 0.00 60.65 59.63 2f3i s ILE 15 Cb -0.02 -0.06 0.15 0.00 -1.06 0.00 0.00 42.46 41.46 2f3i s ILE 15 CO 0.02 -0.01 0.33 -0.62 -0.10 0.00 0.00 174.94 174.57 2f3i s ASP 16 N -0.07 1.57 0.59 3.58 2.15 -0.40 -4.97 116.67 119.12 2f3i s ASP 16 Ca -0.00 -1.42 -0.19 0.00 0.43 0.00 0.00 52.55 51.37 2f3i s ASP 16 Cb -0.01 0.41 -0.05 0.00 -0.30 0.00 0.00 42.92 42.98 2f3i s ASP 16 CO -0.00 -0.30 1.02 -2.65 -0.17 0.00 0.00 175.17 173.07 2f3i n PRO 17 N 4.53 0.99 0.00 4.34 -0.02 -1.26 -1.32 135.00 142.26 2f3i n PRO 17 Ca 0.07 0.38 0.15 0.00 -2.02 0.00 0.00 63.50 62.08 2f3i n PRO 17 Cb 0.44 -2.22 0.75 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.04 0.81 0.00 -0.52 -0.58 -1.26 -4.81 120.64 113.24 2f3i n GLU 18 Ca 0.13 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2f3i n GLU 18 Cb 0.47 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 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 1.18 0.81 4.48 0.62 0.00 -1.26 -4.69 105.19 106.34 2f3i n GLY 19 Ca 0.18 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -0.87 -2.51 1.61 4.76 -1.26 -4.86 118.16 115.03 2f3i n LYS 20 Ca 0.00 0.14 -0.42 0.00 -2.87 0.00 0.00 58.31 55.16 2f3i n LYS 20 Cb 0.00 -4.48 -0.01 0.00 -1.84 0.00 0.00 35.03 28.71 2f3i n LYS 20 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2f3i n LYS 21 N -4.19 3.04 -1.84 1.97 4.76 -1.26 -4.41 118.16 116.23 2f3i n LYS 21 Ca 0.01 -3.19 0.00 0.00 -2.87 0.00 0.00 58.31 52.27 2f3i n LYS 21 Cb 0.51 -3.52 0.00 0.00 -1.84 0.00 0.00 35.03 30.18 2f3i n LYS 21 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2f3i n PHE 22 N 8.92 -3.65 -0.08 2.13 3.01 -1.26 -4.53 117.46 121.99 2f3i n PHE 22 Ca 0.49 2.18 0.11 0.00 1.01 0.00 0.00 57.45 61.24 2f3i n PHE 22 Cb 0.46 -3.32 0.48 0.00 -0.01 0.00 0.00 39.48 37.09 2f3i n PHE 22 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2f3i h ASP 23 N 3.18 0.40 -0.01 4.37 3.58 -1.99 -0.39 116.42 125.57 2f3i h ASP 23 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2f3i h ASP 23 Cb 0.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2f3i h ASP 23 CO 0.00 0.25 0.00 -2.11 -2.88 0.00 0.00 179.24 174.50 2f3i n ARG 24 N -4.47 1.13 -4.05 0.28 1.85 -1.26 -4.76 116.66 105.38 2f3i n ARG 24 Ca 0.09 -0.19 -0.32 0.00 -1.00 0.00 0.00 57.85 56.44 2f3i n ARG 24 Cb 0.33 -1.47 -0.16 0.00 -1.05 0.00 0.00 32.46 30.12 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 1.93 0.14 8.89 1.01 -0.16 -0.10 120.40 130.12 2f3i s VAL 25 Ca 0.44 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 2f3i s VAL 25 Cb 0.21 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 2f3i s VAL 25 CO 0.35 0.16 0.26 -0.44 0.00 0.00 0.00 175.10 175.43 2f3i s SER 26 N 1.26 0.05 0.59 3.32 0.01 -0.61 -4.50 113.70 113.81 2f3i s SER 26 Ca -0.03 -0.76 -0.16 0.00 1.31 0.00 0.00 55.95 56.31 2f3i s SER 26 Cb -0.17 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 2f3i s SER 26 CO -0.08 -0.84 1.07 -0.60 0.41 0.00 0.00 173.24 173.20 2f3i s ARG 27 N -3.92 3.29 0.08 12.44 3.52 -0.43 -1.51 118.95 132.41 2f3i s ARG 27 Ca 0.12 1.26 0.02 0.00 -0.13 0.00 0.00 55.73 57.00 2f3i s ARG 27 Cb 0.04 -2.03 -0.03 0.00 -1.56 0.00 0.00 34.95 31.37 2f3i s ARG 27 CO -0.04 -0.84 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.01 2f3i s LEU 28 N -4.44 2.39 -0.06 -0.88 1.43 0.21 -1.28 118.68 116.05 2f3i s LEU 28 Ca 0.65 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2f3i s LEU 28 Cb -0.17 -0.17 0.02 0.00 0.03 0.00 0.00 46.19 45.90 2f3i s LEU 28 CO 0.36 -0.31 -0.09 -2.28 0.23 0.00 0.00 176.35 174.25 2f3i s HIS 29 N -2.47 1.17 0.03 0.29 5.65 -0.41 -1.39 115.29 118.15 2f3i s HIS 29 Ca 0.02 -0.40 -0.01 0.00 0.25 0.00 0.00 55.06 54.92 2f3i s HIS 29 Cb -0.03 -0.90 -0.02 0.00 -1.18 0.00 0.00 32.58 30.45 2f3i s HIS 29 CO -0.02 -0.24 -0.01 0.00 -0.65 0.00 0.00 174.74 173.83 2f3i s GLU 31 N -2.37 3.43 0.27 0.00 2.12 -0.35 -1.66 118.70 120.16 2f3i s GLU 31 Ca -0.07 -0.62 -0.29 0.00 0.36 0.00 0.00 54.97 54.34 2f3i s GLU 31 Cb -0.03 -2.88 -0.09 0.00 0.26 0.00 0.00 34.13 31.38 2f3i s GLU 31 CO -0.04 0.00 1.00 -1.12 -0.54 0.00 0.00 175.26 174.56 2f3i s SER 32 N 0.95 7.42 -0.04 -1.70 0.01 -1.18 -0.89 113.70 118.27 2f3i s SER 32 Ca -0.01 2.06 0.17 0.00 1.31 0.00 0.00 55.95 59.48 2f3i s SER 32 Cb -0.15 -2.61 -0.21 0.00 0.21 0.00 0.00 66.02 63.26 2f3i s SER 32 CO 0.00 -0.02 0.53 1.21 0.41 0.00 0.00 173.24 175.38 2f3i n GLU 33 N 1.18 0.65 -0.09 12.44 2.13 0.23 -4.58 120.64 132.59 2f3i n GLU 33 Ca -0.01 0.11 -0.10 0.00 0.66 0.00 0.00 57.16 57.82 2f3i n GLU 33 Cb 0.47 -1.68 -0.03 0.00 0.27 0.00 0.00 31.44 30.47 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 0.00 0.39 0.00 4.31 0.02 -1.94 -3.46 113.55 112.86 2f3i h SER 34 Ca -0.27 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2f3i h SER 34 Cb 1.75 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.19 2f3i h SER 34 CO 0.04 0.43 0.00 0.49 -1.14 0.00 0.00 176.83 176.65 2f3i n PHE 35 N -4.76 0.00 -2.04 3.45 3.72 -1.26 -5.06 117.46 111.50 2f3i n PHE 35 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2f3i n PHE 35 Cb 0.12 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2f3i n PHE 35 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2f3i n LYS 36 N 0.00 0.00 -2.81 -1.08 5.02 -1.26 -5.09 118.16 112.95 2f3i n LYS 36 Ca 0.00 -0.84 -0.27 0.00 -2.02 0.00 0.00 58.31 55.18 2f3i n LYS 36 Cb 0.00 -0.31 -0.01 0.00 -0.02 0.00 0.00 35.03 34.69 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2f3i s MET 37 N 0.00 3.55 -0.03 1.97 -1.94 -1.26 -4.55 119.30 117.04 2f3i s MET 37 Ca 0.03 0.12 -0.00 0.00 -1.71 0.00 0.00 55.69 54.12 2f3i s MET 37 Cb 0.03 -2.44 0.03 0.00 2.01 0.00 0.00 34.83 34.46 2f3i s MET 37 CO -0.01 -0.12 0.02 0.34 -0.01 0.00 0.00 175.02 175.24 2f3i s ASP 38 N -3.99 0.46 -0.02 3.03 2.15 -0.42 -3.09 116.67 114.79 2f3i s ASP 38 Ca 0.46 0.02 0.04 0.00 0.43 0.00 0.00 52.55 53.50 2f3i s ASP 38 Cb -0.10 -0.15 -0.01 0.00 -0.30 0.00 0.00 42.92 42.36 2f3i s ASP 38 CO 0.42 -0.14 -0.13 -0.22 -0.17 0.00 0.00 175.17 174.92 2f3i s LEU 39 N 1.29 1.97 0.07 -1.34 2.96 -0.66 -0.55 118.68 122.42 2f3i s LEU 39 Ca -0.06 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 2f3i s LEU 39 Cb -0.13 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 2f3i s LEU 39 CO -0.03 0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.31 2f3i s ILE 40 N -0.19 1.73 0.11 6.68 -1.09 0.12 -0.59 121.20 127.97 2f3i s ILE 40 Ca 0.03 -1.36 -0.02 0.00 -2.23 0.00 0.00 60.65 57.07 2f3i s ILE 40 Cb -0.07 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.25 2f3i s ILE 40 CO -0.00 0.11 0.06 -0.76 -1.23 0.00 0.00 174.94 173.12 2f3i s LEU 41 N -1.48 1.85 -0.32 2.97 1.02 -0.49 -0.82 118.68 121.42 2f3i s LEU 41 Ca 0.08 -1.11 -0.02 0.00 0.02 0.00 0.00 54.13 53.09 2f3i s LEU 41 Cb -0.09 0.38 0.11 0.00 0.02 0.00 0.00 46.19 46.61 2f3i s LEU 41 CO 0.03 -0.71 0.16 -0.62 0.02 0.00 0.00 176.35 175.22 2f3i s ASP 42 N -3.01 3.42 0.22 2.29 2.15 0.66 -0.62 116.67 121.79 2f3i s ASP 42 Ca 0.19 -1.68 -0.01 0.00 0.43 0.00 0.00 52.55 51.48 2f3i s ASP 42 Cb 0.07 -0.46 -0.04 0.00 -0.30 0.00 0.00 42.92 42.20 2f3i s ASP 42 CO -0.01 -0.39 0.18 0.54 -0.17 0.00 0.00 175.17 175.31 2f3i s VAL 43 N 1.63 0.00 -0.79 1.11 0.11 -0.57 -1.60 120.40 120.28 2f3i s VAL 43 Ca 0.12 -1.95 -0.25 0.00 -2.93 0.00 0.00 61.98 56.97 2f3i s VAL 43 Cb -0.19 -2.48 -0.05 0.00 -1.53 0.00 0.00 36.38 32.13 2f3i s VAL 43 CO -0.22 0.00 2.00 0.21 -3.33 0.00 0.00 175.10 173.77 2f3i s ASN 44 N -3.18 4.99 0.00 3.54 2.47 -1.26 -1.58 114.94 119.93 2f3i s ASN 44 Ca 0.38 -0.24 0.22 0.00 0.42 0.00 0.00 52.86 53.64 2f3i s ASN 44 Cb 0.06 -2.55 1.29 0.00 -1.45 0.00 0.00 41.25 38.60 2f3i s ASN 44 CO 0.14 -2.79 1.71 2.30 -3.72 0.00 0.00 177.10 174.74 2f3i n ILE 45 N 7.82 0.08 0.29 -5.21 -6.64 0.86 -3.15 119.36 113.41 2f3i n ILE 45 Ca 0.36 0.02 0.10 0.00 -1.77 0.00 0.00 62.75 61.46 2f3i n ILE 45 Cb 0.48 -0.67 0.47 0.00 -1.44 0.00 0.00 39.64 38.48 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 -1.07 0.14 0.18 6.28 1.13 -1.25 -0.47 117.38 122.32 2f3i n GLN 46 Ca 0.15 0.49 0.12 0.00 -1.94 0.00 0.00 57.00 55.82 2f3i n GLN 46 Cb 0.10 -1.84 0.67 0.00 0.11 0.00 0.00 30.24 29.28 2f3i n GLN 46 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2f3i h ILE 47 N 0.00 0.89 -3.91 5.09 2.04 -1.92 -3.44 117.51 116.26 2f3i h ILE 47 Ca 0.00 0.00 -0.68 0.00 1.00 0.00 0.00 64.86 65.18 2f3i h ILE 47 Cb 0.20 0.91 -0.21 0.00 -0.74 0.00 0.00 36.82 36.98 2f3i h ILE 47 CO 0.00 0.00 -0.79 -0.31 0.00 0.00 0.00 178.15 177.05 2f3i s TYR 48 N -5.03 2.59 -1.31 1.37 2.02 0.38 -5.04 117.35 112.33 2f3i s TYR 48 Ca -0.05 -0.23 -0.18 0.00 -0.37 0.00 0.00 57.07 56.24 2f3i s TYR 48 Cb 0.18 -1.47 0.05 0.00 -0.40 0.00 0.00 41.96 40.31 2f3i s TYR 48 CO 0.68 0.27 1.86 -0.35 -1.57 0.00 0.00 175.55 176.45 2f3i n PRO 49 N 1.49 2.96 0.00 -1.71 -0.04 -1.26 -4.84 135.00 131.60 2f3i n PRO 49 Ca -0.16 -3.04 0.00 0.00 -0.04 0.00 0.00 63.50 60.26 2f3i n PRO 49 Cb 0.52 -3.46 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 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 6.23 1.74 0.07 0.52 0.24 -1.26 -0.62 118.33 125.25 2f3i n VAL 50 Ca 0.49 0.50 0.12 0.00 -2.04 0.00 0.00 64.34 63.41 2f3i n VAL 50 Cb 0.44 -1.50 0.59 0.00 -1.47 0.00 0.00 33.84 31.91 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 0.15 0.00 -1.34 3.58 -2.00 -3.37 116.42 113.44 2f3i h ASP 51 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 51 Cb 0.12 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2f3i h ASP 51 CO 0.00 0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.46 2f3i n LEU 52 N -4.47 0.00 -0.09 2.28 -0.00 -0.42 -5.17 117.00 109.13 2f3i n LEU 52 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.07 2f3i n LEU 52 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.71 2f3i n LEU 52 CO 0.35 0.02 -0.02 0.61 -0.00 0.00 0.00 177.39 178.35 2f3i n GLY 53 N 0.00 -1.65 3.70 1.47 0.00 0.21 -4.97 105.19 103.95 2f3i n GLY 53 Ca 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 2f3i n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3i s ASP 54 N -3.76 0.09 0.24 1.61 2.15 -1.26 -4.71 116.67 111.03 2f3i s ASP 54 Ca 0.00 -1.03 -0.05 0.00 0.43 0.00 0.00 52.55 51.91 2f3i s ASP 54 Cb 0.00 0.72 -0.05 0.00 -0.30 0.00 0.00 42.92 43.28 2f3i s ASP 54 CO 0.00 -1.39 0.49 -0.54 -0.17 0.00 0.00 175.17 173.56 2f3i s LYS 55 N -3.29 3.63 0.28 4.34 1.02 -1.26 -1.96 119.74 122.49 2f3i s LYS 55 Ca 0.19 -0.05 -0.07 0.00 0.02 0.00 0.00 55.97 56.06 2f3i s LYS 55 Cb -0.03 -2.72 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 2f3i s LYS 55 CO 0.11 0.31 0.43 0.12 -0.92 0.00 0.00 175.35 175.41 2f3i s PHE 56 N -1.93 0.76 0.04 3.18 5.36 -0.35 -4.58 117.98 120.46 2f3i s PHE 56 Ca 0.43 -1.06 0.04 0.00 -0.96 0.00 0.00 56.93 55.38 2f3i s PHE 56 Cb -0.11 -0.02 -0.02 0.00 -0.34 0.00 0.00 43.02 42.53 2f3i s PHE 56 CO 0.28 -1.01 -0.13 0.50 -1.46 0.00 0.00 175.22 173.40 2f3i s ARG 57 N -3.61 0.84 -0.02 10.12 3.52 0.09 -1.15 118.95 128.74 2f3i s ARG 57 Ca 0.28 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2f3i s ARG 57 Cb 0.01 -0.82 0.01 0.00 -1.56 0.00 0.00 34.95 32.58 2f3i s ARG 57 CO 0.14 0.20 0.05 -1.17 -0.81 0.00 0.00 175.30 173.71 2f3i s LEU 58 N -1.18 1.67 0.04 -0.88 0.20 0.10 -1.51 118.68 117.12 2f3i s LEU 58 Ca -0.00 0.10 -0.11 0.00 0.69 0.00 0.00 54.13 54.81 2f3i s LEU 58 Cb -0.08 0.14 0.01 0.00 -0.43 0.00 0.00 46.19 45.83 2f3i s LEU 58 CO 0.01 -0.04 0.23 -0.69 -0.29 0.00 0.00 176.35 175.58 2f3i s VAL 59 N 0.22 0.10 -0.14 1.68 1.01 0.04 -0.97 120.40 122.34 2f3i s VAL 59 Ca -0.02 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 2f3i s VAL 59 Cb -0.03 -0.88 -0.20 0.00 0.00 0.00 0.00 36.38 35.28 2f3i s VAL 59 CO -0.01 -0.44 0.52 -0.29 0.00 0.00 0.00 175.10 174.89 2f3i h ILE 60 N 3.44 1.30 -3.42 2.22 2.10 -1.77 -0.69 117.51 120.69 2f3i h ILE 60 Ca -0.32 -2.04 0.34 0.00 1.08 0.00 0.00 64.86 63.93 2f3i h ILE 60 Cb 1.19 2.52 -0.18 0.00 -1.09 0.00 0.00 36.82 39.26 2f3i h ILE 60 CO 0.47 0.44 -1.21 0.00 -1.08 0.00 0.00 178.15 176.77 2f3i n ALA 61 N -2.79 -3.71 -1.60 0.18 0.00 -1.02 -4.23 120.51 107.35 2f3i n ALA 61 Ca -0.11 0.90 -0.36 0.00 0.00 0.00 0.00 53.44 53.87 2f3i n ALA 61 Cb 0.42 -1.53 0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 -7.19 4.60 -0.41 0.00 0.01 -1.23 -2.42 113.70 107.06 2f3i s SER 62 Ca 0.00 2.46 0.08 0.00 1.31 0.00 0.00 55.95 59.80 2f3i s SER 62 Cb 0.00 -2.60 0.18 0.00 0.21 0.00 0.00 66.02 63.81 2f3i s SER 62 CO 0.00 -2.00 0.61 -0.89 0.41 0.00 0.00 173.24 171.38 2f3i s THR 63 N -1.67 -0.96 0.61 1.44 2.01 -1.26 -4.81 115.64 111.00 2f3i s THR 63 Ca 0.78 -0.07 0.33 0.00 0.31 0.00 0.00 61.69 63.04 2f3i s THR 63 Cb -0.32 -0.04 0.37 0.00 0.01 0.00 0.00 72.50 72.52 2f3i s THR 63 CO 0.40 -0.04 2.20 0.25 -0.69 0.00 0.00 174.62 176.75 2f3i h LEU 64 N 6.99 0.00 -1.60 4.42 6.46 -1.96 -2.61 115.31 127.02 2f3i h LEU 64 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2f3i h LEU 64 Cb 1.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2f3i h LEU 64 CO 0.11 0.00 0.21 0.22 -0.62 0.00 0.00 178.44 178.35 2f3i h TYR 65 N 0.00 0.00 0.00 1.25 3.20 -1.95 0.63 116.97 120.09 2f3i h TYR 65 Ca 0.03 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2f3i h TYR 65 Cb 0.22 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2f3i h TYR 65 CO 0.00 0.00 -0.02 1.05 -1.64 0.00 0.00 178.16 177.55 2f3i h GLU 66 N 0.00 0.00 0.00 1.82 4.11 -1.90 -2.48 114.58 116.14 2f3i h GLU 66 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2f3i h GLU 66 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2f3i h GLU 66 CO 0.00 0.02 -0.47 -3.47 0.07 0.00 0.00 179.01 175.16 2f3i n ASP 67 N -3.26 2.07 -2.21 3.06 2.03 -0.43 -4.75 116.55 113.06 2f3i n ASP 67 Ca -0.02 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.06 2f3i n ASP 67 Cb 0.13 0.10 -0.01 0.00 -0.72 0.00 0.00 41.12 40.62 2f3i n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f3i n GLY 68 N 2.12 4.30 3.41 0.27 0.00 0.08 -4.74 105.19 110.62 2f3i n GLY 68 Ca 0.00 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 2f3i n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f3i s THR 69 N -2.36 1.66 0.61 2.61 2.01 -0.93 -4.40 115.64 114.85 2f3i s THR 69 Ca 0.46 0.00 0.30 0.00 0.31 0.00 0.00 61.69 62.77 2f3i s THR 69 Cb 0.32 -2.08 0.36 0.00 0.01 0.00 0.00 72.50 71.12 2f3i s THR 69 CO -0.11 0.00 2.04 0.17 -0.69 0.00 0.00 174.62 176.03 2f3i h LEU 70 N -2.99 0.00 -2.78 4.42 8.10 -1.88 -0.16 115.31 120.02 2f3i h LEU 70 Ca -0.54 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.45 2f3i h LEU 70 Cb 1.34 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.56 2f3i h LEU 70 CO 0.41 0.00 -0.00 -0.78 -4.11 0.00 0.00 178.44 173.96 2f3i h ASP 71 N 0.00 0.00 0.00 0.17 3.58 -1.90 -1.96 116.42 116.31 2f3i h ASP 71 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2f3i h ASP 71 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 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 -3.17 0.00 -0.02 2.28 2.03 -0.07 -4.86 116.55 112.74 2f3i n ASP 72 Ca -0.03 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.44 2f3i n ASP 72 Cb 0.10 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 0.33 0.64 2.69 0.27 0.00 -0.74 -5.05 105.19 103.33 2f3i n GLY 73 Ca 0.13 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.56 0.21 -0.13 1.61 2.12 -1.24 -5.13 118.70 112.59 2f3i s GLU 74 Ca 0.00 0.10 -0.19 0.00 0.36 0.00 0.00 54.97 55.24 2f3i s GLU 74 Cb 0.00 -1.14 0.05 0.00 0.26 0.00 0.00 34.13 33.30 2f3i s GLU 74 CO 0.00 -0.44 0.49 -0.47 -0.54 0.00 0.00 175.26 174.30 2f3i s TYR 75 N 2.08 -0.49 0.00 5.30 5.04 -1.26 -4.32 117.35 123.70 2f3i s TYR 75 Ca 0.04 1.08 -0.03 0.00 -2.44 0.00 0.00 57.07 55.72 2f3i s TYR 75 Cb -0.14 0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.37 2f3i s TYR 75 CO -0.06 -0.35 0.04 0.54 -1.34 0.00 0.00 175.55 174.39 2f3i s ASN 76 N -0.33 0.09 0.34 4.32 2.20 -1.26 -5.08 114.94 115.22 2f3i s ASN 76 Ca -0.05 -0.24 0.16 0.00 -0.94 0.00 0.00 52.86 51.79 2f3i s ASN 76 Cb -0.03 0.14 0.54 0.00 -2.00 0.00 0.00 41.25 39.89 2f3i s ASN 76 CO 0.03 -0.24 1.67 1.55 -2.94 0.00 0.00 177.10 177.17 2f3i h PRO 77 N 4.93 0.00 -0.69 3.55 0.13 -2.02 -2.97 132.00 134.93 2f3i h PRO 77 Ca -0.30 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.78 2f3i h PRO 77 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2f3i h PRO 77 CO 0.42 0.46 0.21 1.79 -0.23 0.00 0.00 178.00 180.65 2f3i h THR 78 N 0.00 1.25 0.00 1.56 1.35 -1.98 -3.46 112.91 111.63 2f3i h THR 78 Ca -0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2f3i h THR 78 Cb 1.00 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2f3i h THR 78 CO 0.06 0.34 0.00 -0.67 -0.25 0.00 0.00 175.52 175.01 2f3i n ASP 79 N -4.26 0.00 0.00 5.36 2.03 -1.12 -1.14 116.55 117.42 2f3i n ASP 79 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2f3i n ASP 79 Cb 0.23 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 2f3i n ASP 79 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2f3i n ASP 80 N 0.00 0.29 -4.73 1.67 5.75 -1.26 -4.93 116.55 113.34 2f3i n ASP 80 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 2f3i n ASP 80 Cb 0.00 0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 2f3i n ASP 80 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2f3i s ARG 81 N -0.58 4.17 -0.69 0.11 1.81 -0.29 -2.15 118.95 121.33 2f3i s ARG 81 Ca 0.00 2.49 -0.09 0.00 -1.72 0.00 0.00 55.73 56.42 2f3i s ARG 81 Cb 0.00 -3.09 0.09 0.00 -0.45 0.00 0.00 34.95 31.50 2f3i s ARG 81 CO 0.00 -0.65 0.22 -2.30 -0.68 0.00 0.00 175.30 171.89 2f3i n PRO 82 N 3.40 -0.98 -0.44 3.54 -0.02 -1.26 -4.79 135.00 134.45 2f3i n PRO 82 Ca 0.13 0.05 0.11 0.00 -2.02 0.00 0.00 63.50 61.76 2f3i n PRO 82 Cb 0.37 -1.91 0.33 0.00 -0.02 0.00 0.00 33.50 32.27 2f3i n PRO 82 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2f3i n SER 83 N -0.54 4.12 -2.24 2.55 7.64 -0.91 -4.94 113.62 119.29 2f3i n SER 83 Ca 0.04 -2.14 -0.17 0.00 1.01 0.00 0.00 58.87 57.61 2f3i n SER 83 Cb 0.19 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.85 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 1.46 -1.81 0.00 1.43 3.00 -1.26 -4.79 116.66 114.69 2f3i n ARG 84 Ca 0.25 0.87 0.00 0.00 -0.01 0.00 0.00 57.85 58.96 2f3i n ARG 84 Cb 0.69 -5.45 0.00 0.00 0.00 0.00 0.00 32.46 27.70 2f3i n ARG 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2f3i n ALA 85 N -1.52 0.51 -1.25 7.54 0.00 -1.26 -4.84 120.51 119.68 2f3i n ALA 85 Ca -0.20 -0.17 -0.27 0.00 0.00 0.00 0.00 53.44 52.80 2f3i n ALA 85 Cb 0.64 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.00 2f3i n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2f3i n ASP 86 N -0.01 7.12 -0.61 0.00 2.03 -1.26 -4.67 116.55 119.15 2f3i n ASP 86 Ca 0.00 -2.62 0.00 0.00 0.52 0.00 0.00 54.79 52.69 2f3i n ASP 86 Cb 0.27 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 2f3i n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2f3i n GLN 87 N 2.80 0.93 -4.21 -0.67 1.13 -1.26 -4.81 117.38 111.30 2f3i n GLN 87 Ca 0.61 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.55 2f3i n GLN 87 Cb 0.53 -1.37 -0.10 0.00 0.11 0.00 0.00 30.24 29.41 2f3i n GLN 87 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2f3i s PHE 88 N -0.77 1.07 0.10 1.08 0.08 -1.26 -5.07 117.98 113.22 2f3i s PHE 88 Ca 0.00 -0.83 0.06 0.00 0.12 0.00 0.00 56.93 56.27 2f3i s PHE 88 Cb 0.00 -0.58 -0.22 0.00 -0.57 0.00 0.00 43.02 41.65 2f3i s PHE 88 CO 0.00 -0.04 1.23 0.93 -0.10 0.00 0.00 175.22 177.24 2f3i h GLU 89 N 2.90 0.04 -2.59 0.44 4.39 -1.68 -3.46 114.58 114.62 2f3i h GLU 89 Ca -0.36 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.17 2f3i h GLU 89 Cb 1.18 0.03 -0.20 0.00 -0.10 0.00 0.00 28.75 29.65 2f3i h GLU 89 CO 0.64 1.01 -0.09 -0.47 -1.16 0.00 0.00 179.01 178.93 2f3i s TYR 90 N -2.70 -0.42 -0.13 4.33 5.04 -0.50 -5.00 117.35 117.98 2f3i s TYR 90 Ca -0.00 0.79 -0.16 0.00 -2.44 0.00 0.00 57.07 55.26 2f3i s TYR 90 Cb 0.09 0.22 0.04 0.00 0.35 0.00 0.00 41.96 42.66 2f3i s TYR 90 CO 0.83 -0.43 0.42 0.54 -1.34 0.00 0.00 175.55 175.57 2f3i s VAL 91 N -0.92 0.01 0.25 3.14 0.11 -1.26 -0.71 120.40 121.02 2f3i s VAL 91 Ca -0.10 -0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 58.67 2f3i s VAL 91 Cb -0.03 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 34.22 2f3i s VAL 91 CO 0.05 -0.05 0.65 -0.32 -3.33 0.00 0.00 175.10 172.10 2f3i s MET 92 N -0.14 1.66 0.07 1.54 0.00 -0.00 -5.00 119.30 117.43 2f3i s MET 92 Ca -0.03 -0.97 0.10 0.00 0.00 0.00 0.00 55.69 54.79 2f3i s MET 92 Cb -0.03 0.58 -0.03 0.00 0.00 0.00 0.00 34.83 35.34 2f3i s MET 92 CO 0.02 -0.74 -0.25 0.71 0.00 0.00 0.00 175.02 174.75 2f3i s TYR 93 N -3.91 2.35 0.00 4.11 2.02 -1.26 -1.39 117.35 119.26 2f3i s TYR 93 Ca 0.12 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 2f3i s TYR 93 Cb -0.04 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 2f3i s TYR 93 CO 0.04 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 2f3i n GLY 94 N 1.49 4.14 3.14 0.71 0.00 0.33 -4.28 105.19 110.72 2f3i n GLY 94 Ca -0.17 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 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 1.17 1.73 0.10 1.61 2.47 -0.06 -4.66 119.74 122.10 2f3i s LYS 95 Ca 0.00 -0.62 -0.02 0.00 -1.56 0.00 0.00 55.97 53.77 2f3i s LYS 95 Cb 0.00 -1.53 -0.05 0.00 -1.46 0.00 0.00 37.83 34.79 2f3i s LYS 95 CO 0.00 0.27 0.28 0.08 0.16 0.00 0.00 175.35 176.15 2f3i s VAL 96 N -0.06 5.29 0.09 4.02 1.01 -1.25 -1.40 120.40 128.11 2f3i s VAL 96 Ca -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2f3i s VAL 96 Cb -0.11 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2f3i s VAL 96 CO 0.02 0.09 -0.07 -0.31 0.00 0.00 0.00 175.10 174.82 2f3i s TYR 97 N -1.58 0.90 0.02 5.22 1.51 -0.20 -4.91 117.35 118.32 2f3i s TYR 97 Ca 0.38 -0.81 -0.23 0.00 -1.01 0.00 0.00 57.07 55.40 2f3i s TYR 97 Cb -0.13 -0.52 0.05 0.00 -0.11 0.00 0.00 41.96 41.26 2f3i s TYR 97 CO 0.27 -0.11 0.52 -0.98 -1.11 0.00 0.00 175.55 174.14 2f3i s ARG 98 N -3.37 0.99 0.62 -0.62 3.03 -1.26 -0.32 118.95 118.03 2f3i s ARG 98 Ca 0.08 -0.16 -0.02 0.00 2.03 0.00 0.00 55.73 57.66 2f3i s ARG 98 Cb 0.02 0.46 0.13 0.00 -1.03 0.00 0.00 34.95 34.52 2f3i s ARG 98 CO -0.03 -0.34 0.85 0.44 -1.13 0.00 0.00 175.30 175.08 2f3i n ILE 99 N 0.58 0.00 0.57 4.99 -0.00 -1.06 -4.98 119.36 119.46 2f3i n ILE 99 Ca -0.19 -1.20 0.06 0.00 -0.00 0.00 0.00 62.75 61.43 2f3i n ILE 99 Cb 0.59 -1.08 0.31 0.00 -0.00 0.00 0.00 39.64 39.46 2f3i n ILE 99 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2f3i n GLU 100 N -2.61 0.15 0.00 6.28 0.28 -1.26 -4.81 120.64 118.67 2f3i n GLU 100 Ca 0.13 0.19 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 2f3i n GLU 100 Cb 0.48 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.85 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 -0.20 2.90 3.69 -1.84 0.00 -1.26 -5.06 105.19 103.41 2f3i n GLY 101 Ca 0.05 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 6.70 -0.04 1.61 2.15 -1.26 -4.45 116.67 121.38 2f3i s ASP 102 Ca 0.00 2.36 0.06 0.00 0.43 0.00 0.00 52.55 55.40 2f3i s ASP 102 Cb 0.00 -2.56 0.10 0.00 -0.30 0.00 0.00 42.92 40.15 2f3i s ASP 102 CO 0.00 -0.82 0.96 1.21 -0.17 0.00 0.00 175.17 176.36 2f3i n GLU 103 N 5.39 1.25 0.14 4.34 2.13 -1.26 -4.92 120.64 127.72 2f3i n GLU 103 Ca 0.15 -1.58 0.00 0.00 0.66 0.00 0.00 57.16 56.39 2f3i n GLU 103 Cb 0.42 -0.97 0.00 0.00 0.27 0.00 0.00 31.44 31.15 2f3i n GLU 103 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2f3i n THR 104 N -0.62 0.02 0.00 6.31 -2.24 -1.26 -4.99 114.28 111.50 2f3i n THR 104 Ca 0.05 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2f3i n THR 104 Cb 0.52 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2f3i n THR 104 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2f3i n SER 105 N -3.43 0.00 0.00 3.42 7.64 -1.26 -4.91 113.62 115.08 2f3i n SER 105 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 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 0.31 0.44 -2.24 -1.26 -4.95 114.28 106.58 2f3i n THR 106 Ca 0.00 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.97 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 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 -1.99 -2.35 114.58 113.57 2f3i h GLU 107 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 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 -0.28 0.00 0.07 0.00 0.00 179.01 178.80 2f3i n ALA 108 N -2.16 1.61 0.26 1.06 0.00 -1.26 -4.86 120.51 115.16 2f3i n ALA 108 Ca -0.02 -0.84 0.03 0.00 0.00 0.00 0.00 53.44 52.61 2f3i n ALA 108 Cb 0.14 -0.29 0.16 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.04 1.35 0.98 0.00 0.00 -0.88 -3.13 120.51 118.79 2f3i n ALA 109 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2f3i n ALA 109 Cb 0.61 -1.12 0.55 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.47 0.33 -4.68 0.00 -2.24 -1.26 -4.22 114.28 100.74 2f3i n THR 110 Ca 0.02 0.08 -0.25 0.00 -2.27 0.00 0.00 64.05 61.63 2f3i n THR 110 Cb 0.08 -0.70 -0.16 0.00 -2.10 0.00 0.00 70.33 67.45 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 -2.72 1.74 0.51 -0.78 3.00 -1.18 -4.66 118.95 114.85 2f3i s ARG 111 Ca 0.18 -0.49 -0.22 0.00 0.00 0.00 0.00 55.73 55.20 2f3i s ARG 111 Cb 0.15 -1.46 -0.06 0.00 0.00 0.00 0.00 34.95 33.59 2f3i s ARG 111 CO 0.37 0.11 1.24 -1.17 0.00 0.00 0.00 175.30 175.85 2f3i s LEU 112 N 0.40 3.89 -0.10 2.53 2.96 0.23 -4.74 118.68 123.85 2f3i s LEU 112 Ca -0.10 2.47 0.02 0.00 -0.22 0.00 0.00 54.13 56.30 2f3i s LEU 112 Cb -0.14 -4.32 -0.01 0.00 0.50 0.00 0.00 46.19 42.22 2f3i s LEU 112 CO 0.03 -1.26 -0.17 -0.44 -1.32 0.00 0.00 176.35 173.20 2f3i s SER 113 N -1.27 3.75 0.22 3.68 0.01 -1.26 -1.50 113.70 117.33 2f3i s SER 113 Ca 0.69 -0.36 0.10 0.00 1.31 0.00 0.00 55.95 57.69 2f3i s SER 113 Cb -0.33 -1.30 -0.05 0.00 0.21 0.00 0.00 66.02 64.56 2f3i s SER 113 CO 0.39 0.22 -0.20 0.00 0.41 0.00 0.00 173.24 174.06 2f3i s ALA 114 N 0.03 2.38 0.09 1.44 0.00 -0.41 -2.55 121.76 122.74 2f3i s ALA 114 Ca -0.06 -1.68 0.07 0.00 0.00 0.00 0.00 51.96 50.29 2f3i s ALA 114 Cb -0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2f3i s ALA 114 CO 0.05 0.27 -0.19 0.71 0.00 0.00 0.00 175.76 176.60 2f3i s TYR 115 N -2.24 1.62 -0.03 0.00 1.51 0.57 -0.72 117.35 118.06 2f3i s TYR 115 Ca 0.23 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 2f3i s TYR 115 Cb -0.05 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 2f3i s TYR 115 CO 0.10 0.15 -0.05 0.08 -1.11 0.00 0.00 175.55 174.72 2f3i s VAL 116 N -1.14 0.54 -0.15 0.71 1.01 -0.43 -1.04 120.40 119.90 2f3i s VAL 116 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2f3i s VAL 116 Cb -0.10 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.77 2f3i s VAL 116 CO 0.03 0.21 -0.14 -0.44 0.00 0.00 0.00 175.10 174.76 2f3i s SER 117 N 0.60 2.77 -0.12 3.32 0.01 -0.49 -1.13 113.70 118.66 2f3i s SER 117 Ca -0.08 -0.53 -0.04 0.00 1.31 0.00 0.00 55.95 56.61 2f3i s SER 117 Cb -0.11 -1.20 0.06 0.00 0.21 0.00 0.00 66.02 64.98 2f3i s SER 117 CO 0.00 -0.06 0.19 -0.72 0.41 0.00 0.00 173.24 173.06 2f3i s TYR 118 N 1.47 -0.22 -1.61 2.43 1.13 -0.14 -0.89 117.35 119.52 2f3i s TYR 118 Ca 0.05 0.55 0.00 0.00 -1.41 0.00 0.00 57.07 56.25 2f3i s TYR 118 Cb -0.13 -0.26 0.00 0.00 -1.10 0.00 0.00 41.96 40.46 2f3i s TYR 118 CO -0.11 -0.37 0.00 0.41 -2.51 0.00 0.00 175.55 172.97 2f3i n GLY 119 N 5.33 0.11 2.38 5.49 0.00 -1.26 -0.88 105.19 116.36 2f3i n GLY 119 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2f3i n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3i n GLY 120 N -0.77 1.36 3.96 -0.02 0.00 -1.26 -5.04 105.19 103.42 2f3i n GLY 120 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 3.85 0.07 0.99 1.43 -0.05 -5.06 118.68 119.91 2f3i s LEU 121 Ca 0.00 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 2f3i s LEU 121 Cb 0.00 -3.06 0.01 0.00 0.03 0.00 0.00 46.19 43.17 2f3i s LEU 121 CO 0.00 -0.51 0.26 -0.22 0.23 0.00 0.00 176.35 176.11 2f3i s LEU 122 N -4.37 1.09 0.15 1.79 0.20 -0.63 -0.96 118.68 115.94 2f3i s LEU 122 Ca 0.45 -0.42 -0.14 0.00 0.69 0.00 0.00 54.13 54.72 2f3i s LEU 122 Cb -0.10 1.25 0.02 0.00 -0.43 0.00 0.00 46.19 46.93 2f3i s LEU 122 CO 0.35 -0.69 0.37 0.00 -0.29 0.00 0.00 176.35 176.09 2f3i s MET 123 N -3.26 1.13 -0.06 1.98 0.23 -0.28 -0.25 119.30 118.79 2f3i s MET 123 Ca 0.00 -0.90 0.01 0.00 -1.03 0.00 0.00 55.69 53.77 2f3i s MET 123 Cb 0.02 0.44 0.02 0.00 -1.53 0.00 0.00 34.83 33.78 2f3i s MET 123 CO -0.08 -0.44 -0.07 0.50 -2.03 0.00 0.00 175.02 172.91 2f3i s ARG 124 N -3.87 1.18 -0.13 3.16 3.52 0.00 -1.31 118.95 121.49 2f3i s ARG 124 Ca 0.08 -0.20 -0.00 0.00 -0.13 0.00 0.00 55.73 55.48 2f3i s ARG 124 Cb 0.02 -1.14 0.03 0.00 -1.56 0.00 0.00 34.95 32.30 2f3i s ARG 124 CO -0.07 -0.10 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.05 2f3i s LEU 125 N 1.07 1.45 0.15 -0.88 2.96 0.10 -0.70 118.68 122.84 2f3i s LEU 125 Ca -0.08 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.34 2f3i s LEU 125 Cb -0.14 -0.99 -0.06 0.00 0.50 0.00 0.00 46.19 45.50 2f3i s LEU 125 CO -0.01 -0.10 0.41 -1.10 -1.32 0.00 0.00 176.35 174.24 2f3i s GLN 126 N 1.61 3.67 0.11 1.98 -0.21 0.29 -1.29 119.66 125.82 2f3i s GLN 126 Ca 0.04 0.02 -0.26 0.00 0.02 0.00 0.00 55.36 55.18 2f3i s GLN 126 Cb -0.13 -2.82 0.08 0.00 1.00 0.00 0.00 33.01 31.14 2f3i s GLN 126 CO -0.09 0.45 1.05 0.20 -2.12 0.00 0.00 175.29 174.78 2f3i s GLY 127 N -2.34 -0.24 0.20 3.09 0.00 -0.56 -1.31 107.32 106.16 2f3i s GLY 127 Ca 0.41 0.21 -0.33 0.00 0.00 0.00 0.00 44.72 45.02 2f3i s GLY 127 CO 0.23 0.34 1.42 1.34 0.00 0.00 0.00 173.10 176.43 2f3i n ASP 128 N -0.56 2.59 -0.27 1.64 -0.08 -1.26 -0.60 116.55 118.01 2f3i n ASP 128 Ca -0.06 1.12 -0.11 0.00 -1.51 0.00 0.00 54.79 54.23 2f3i n ASP 128 Cb 0.61 -1.38 -0.09 0.00 2.34 0.00 0.00 41.12 42.60 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 4.60 -0.59 -0.67 -1.67 0.00 -1.87 0.15 119.26 119.21 2f3i h ALA 129 Ca -0.45 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.56 2f3i h ALA 129 Cb 1.28 1.20 -0.04 0.00 0.00 0.00 0.00 17.79 20.23 2f3i h ALA 129 CO 0.79 -0.97 0.41 -0.97 0.00 0.00 0.00 179.25 178.50 2f3i h ASN 130 N -0.21 0.67 0.12 0.00 -1.24 -2.00 -1.30 115.58 111.62 2f3i h ASN 130 Ca 0.13 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 2f3i h ASN 130 Cb 0.52 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.43 2f3i h ASN 130 CO -0.76 0.46 -0.05 -1.13 -1.29 0.00 0.00 177.43 174.66 2f3i h ASN 131 N 0.80 0.00 1.62 1.15 -0.73 -1.46 -2.24 115.58 114.72 2f3i h ASN 131 Ca 0.27 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.38 2f3i h ASN 131 Cb 0.04 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 2f3i h ASN 131 CO -0.11 0.05 -0.39 0.25 -0.37 0.00 0.00 177.43 176.86 2f3i h LEU 132 N 0.00 0.00 -2.03 0.34 5.85 0.43 -3.47 115.31 116.43 2f3i h LEU 132 Ca -0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 2f3i h LEU 132 Cb 0.13 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 40.97 2f3i h LEU 132 CO 0.01 0.27 -0.85 1.41 -0.34 0.00 0.00 178.44 178.94 2f3i n HIS 133 N -3.12 -1.10 0.09 1.25 8.25 -0.84 -4.87 115.22 114.88 2f3i n HIS 133 Ca 0.02 0.54 0.01 0.00 -0.26 0.00 0.00 57.72 58.03 2f3i n HIS 133 Cb 0.65 -2.42 0.01 0.00 1.12 0.00 0.00 29.99 29.35 2f3i n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f3i n GLY 134 N -2.33 -1.08 0.21 -1.41 0.00 -1.26 -4.39 105.19 94.93 2f3i n GLY 134 Ca -0.27 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2f3i n GLY 134 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2f3i h PHE 135 N 0.45 0.25 -0.03 1.61 0.04 -1.89 -3.34 116.94 114.03 2f3i h PHE 135 Ca 0.00 -0.05 -0.57 0.00 2.80 0.00 0.00 57.97 60.15 2f3i h PHE 135 Cb 0.12 -0.06 0.09 0.00 2.20 0.00 0.00 35.95 38.29 2f3i h PHE 135 CO 0.00 0.50 1.67 0.39 -0.60 0.00 0.00 178.31 180.28 2f3i n GLU 136 N -4.13 0.75 0.00 1.51 4.71 -1.26 -4.78 120.64 117.44 2f3i n GLU 136 Ca -0.01 -1.49 0.00 0.00 -0.01 0.00 0.00 57.16 55.64 2f3i n GLU 136 Cb 0.39 -2.84 0.00 0.00 -1.01 0.00 0.00 31.44 27.98 2f3i n GLU 136 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2f3i n VAL 137 N 6.74 0.83 -1.16 2.62 0.24 -1.25 -1.13 118.33 125.22 2f3i n VAL 137 Ca 0.48 0.21 0.06 0.00 -2.04 0.00 0.00 64.34 63.05 2f3i n VAL 137 Cb 0.42 -1.21 0.08 0.00 -1.47 0.00 0.00 33.84 31.66 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 -1.21 1.65 -0.07 -1.34 2.03 -1.26 -3.79 116.55 112.56 2f3i n ASP 138 Ca 0.00 -2.61 -0.09 0.00 0.52 0.00 0.00 54.79 52.60 2f3i n ASP 138 Cb 0.00 -0.31 -0.03 0.00 -0.72 0.00 0.00 41.12 40.06 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 -0.93 1.80 -0.08 1.67 7.64 -0.29 -0.52 113.62 122.91 2f3i n SER 139 Ca 0.10 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2f3i n SER 139 Cb 0.60 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 -4.29 0.77 -0.31 1.43 1.85 -1.21 -2.26 116.66 112.63 2f3i n ARG 140 Ca -0.15 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.65 2f3i n ARG 140 Cb 0.48 -1.06 0.08 0.00 -1.05 0.00 0.00 32.46 30.90 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 1.26 -3.39 8.89 -1.51 -1.81 -3.41 116.25 116.29 2f3i h VAL 141 Ca 0.00 -0.73 -0.55 0.00 -1.23 0.00 0.00 66.70 64.20 2f3i h VAL 141 Cb 0.06 0.17 -0.03 0.00 -2.13 0.00 0.00 31.29 29.36 2f3i h VAL 141 CO 0.00 0.31 0.34 -0.31 -1.23 0.00 0.00 177.57 176.68 2f3i s TYR 142 N -5.71 3.63 -0.06 5.19 2.02 -0.96 -0.51 117.35 120.95 2f3i s TYR 142 Ca -0.13 1.61 -0.02 0.00 -0.37 0.00 0.00 57.07 58.16 2f3i s TYR 142 Cb 0.16 -3.07 0.04 0.00 -0.40 0.00 0.00 41.96 38.69 2f3i s TYR 142 CO 0.83 -0.02 0.10 -1.17 -1.57 0.00 0.00 175.55 173.73 2f3i s LEU 143 N 1.08 0.28 -0.01 -1.29 1.98 -0.49 -4.41 118.68 115.83 2f3i s LEU 143 Ca 0.49 0.19 0.01 0.00 -2.89 0.00 0.00 54.13 51.93 2f3i s LEU 143 Cb -0.20 0.08 0.00 0.00 0.66 0.00 0.00 46.19 46.73 2f3i s LEU 143 CO 0.25 -0.22 -0.03 -0.22 -1.89 0.00 0.00 176.35 174.25 2f3i s LEU 144 N 1.92 1.87 0.01 -0.68 0.20 -0.27 -0.82 118.68 120.90 2f3i s LEU 144 Ca 0.00 -0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.77 2f3i s LEU 144 Cb -0.12 -0.18 -0.01 0.00 -0.43 0.00 0.00 46.19 45.45 2f3i s LEU 144 CO -0.04 0.02 -0.01 -0.04 -0.29 0.00 0.00 176.35 175.98 2f3i s MET 145 N 0.10 0.10 0.24 1.98 -1.94 0.11 -0.78 119.30 119.11 2f3i s MET 145 Ca -0.01 -0.17 -0.17 0.00 -1.71 0.00 0.00 55.69 53.63 2f3i s MET 145 Cb -0.03 0.01 0.01 0.00 2.01 0.00 0.00 34.83 36.83 2f3i s MET 145 CO -0.00 -0.01 0.58 0.21 -0.01 0.00 0.00 175.02 175.79 2f3i s LYS 146 N -0.39 1.59 0.89 2.03 2.20 -0.57 -1.41 119.74 124.08 2f3i s LYS 146 Ca -0.04 -1.04 -0.11 0.00 -0.36 0.00 0.00 55.97 54.42 2f3i s LYS 146 Cb -0.03 0.54 0.13 0.00 -1.51 0.00 0.00 37.83 36.96 2f3i s LYS 146 CO -0.00 -0.69 1.16 -1.59 -0.36 0.00 0.00 175.35 173.87 2f3i s LYS 147 N -3.94 1.13 0.91 4.03 -2.85 -1.26 -0.73 119.74 117.03 2f3i s LYS 147 Ca 0.14 1.61 -0.12 0.00 -1.00 0.00 0.00 55.97 56.61 2f3i s LYS 147 Cb -0.03 -1.73 0.14 0.00 -2.06 0.00 0.00 37.83 34.15 2f3i s LYS 147 CO 0.05 -2.56 1.09 -0.48 0.10 0.00 0.00 175.35 173.55 2f3i s LEU 148 N -6.41 2.18 -0.48 2.77 0.05 -1.26 -4.45 118.68 111.08 2f3i s LEU 148 Ca 0.68 1.51 0.08 0.00 0.05 0.00 0.00 54.13 56.45 2f3i s LEU 148 Cb -0.24 -3.89 0.32 0.00 -2.05 0.00 0.00 46.19 40.32 2f3i s LEU 148 CO 0.56 -2.76 0.77 0.00 -0.55 0.00 0.00 176.35 174.37 2f3i n ALA 149 N -3.96 3.23 -1.11 1.48 0.00 -1.26 -5.02 120.51 113.86 2f3i n ALA 149 Ca 0.07 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.49 2f3i n ALA 149 Cb 0.55 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2f3i n ALA 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69