#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 0.87 -1.57 3.04 0.00 -1.26 -4.31 120.51 117.28 2f3i n ALA 2 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2f3i n ALA 2 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 0.99 0.39 3.01 0.00 0.00 -1.26 -4.99 105.19 103.33 2f3i n GLY 3 Ca 0.10 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 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 0.63 0.48 -0.28 -0.61 -1.09 -0.99 -4.39 121.20 114.95 2f3i s ILE 4 Ca 0.00 -0.62 -0.38 0.00 -2.23 0.00 0.00 60.65 57.42 2f3i s ILE 4 Cb 0.00 -0.47 -0.14 0.00 -1.58 0.00 0.00 42.46 40.27 2f3i s ILE 4 CO 0.00 -0.11 1.93 -0.11 -1.23 0.00 0.00 174.94 175.42 2f3i n LEU 5 N 2.26 2.42 -3.69 2.97 -0.00 -1.24 -4.24 117.00 115.48 2f3i n LEU 5 Ca -0.17 0.82 -0.11 0.00 -0.00 0.00 0.00 56.01 56.55 2f3i n LEU 5 Cb 0.57 -1.21 -0.10 0.00 -0.00 0.00 0.00 43.42 42.68 2f3i n LEU 5 CO 0.23 -0.47 0.14 0.12 -0.00 0.00 0.00 177.39 177.40 2f3i s PHE 6 N 4.99 -0.63 -0.01 1.96 2.19 -1.26 -4.94 117.98 120.28 2f3i s PHE 6 Ca 1.02 1.39 -0.07 0.00 0.33 0.00 0.00 56.93 59.60 2f3i s PHE 6 Cb -0.95 0.28 0.00 0.00 -1.31 0.00 0.00 43.02 41.04 2f3i s PHE 6 CO 0.58 -0.33 0.15 -2.00 1.83 0.00 0.00 175.22 175.45 2f3i s GLU 7 N 0.93 0.42 0.05 10.12 2.12 -1.26 -2.33 118.70 128.76 2f3i s GLU 7 Ca -0.05 -0.26 -0.14 0.00 0.36 0.00 0.00 54.97 54.88 2f3i s GLU 7 Cb -0.06 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.53 2f3i s GLU 7 CO -0.08 -0.10 0.31 0.34 -0.54 0.00 0.00 175.26 175.20 2f3i s ASP 8 N -1.05 -0.13 0.22 -1.70 -1.08 -0.56 -5.01 116.67 107.36 2f3i s ASP 8 Ca -0.11 -0.22 -0.19 0.00 -0.52 0.00 0.00 52.55 51.50 2f3i s ASP 8 Cb -0.06 0.37 -0.08 0.00 -1.46 0.00 0.00 42.92 41.69 2f3i s ASP 8 CO 0.01 -0.65 0.72 -0.63 0.52 0.00 0.00 175.17 175.14 2f3i s ILE 9 N -2.75 4.58 0.00 4.11 1.09 -1.26 -1.27 121.20 125.70 2f3i s ILE 9 Ca -0.04 1.26 0.04 0.00 -1.10 0.00 0.00 60.65 60.82 2f3i s ILE 9 Cb -0.00 -3.85 -0.03 0.00 -1.06 0.00 0.00 42.46 37.52 2f3i s ILE 9 CO -0.05 0.20 -0.11 -0.36 -0.10 0.00 0.00 174.94 174.52 2f3i s PHE 10 N -1.54 2.76 -0.17 3.97 0.40 0.38 -0.77 117.98 123.01 2f3i s PHE 10 Ca 0.43 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.64 2f3i s PHE 10 Cb -0.16 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 41.80 2f3i s PHE 10 CO 0.21 0.30 -0.15 0.34 0.70 0.00 0.00 175.22 176.61 2f3i s ASP 11 N -1.28 3.55 -0.09 1.36 2.15 0.05 -1.43 116.67 120.99 2f3i s ASP 11 Ca 0.15 -0.52 -0.30 0.00 0.43 0.00 0.00 52.55 52.31 2f3i s ASP 11 Cb -0.11 -1.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.92 2f3i s ASP 11 CO 0.05 0.04 1.41 -0.69 -0.17 0.00 0.00 175.17 175.81 2f3i s VAL 12 N 1.07 3.94 -0.15 1.11 1.01 0.03 -1.49 120.40 125.93 2f3i s VAL 12 Ca -0.00 1.19 0.16 0.00 0.00 0.00 0.00 61.98 63.33 2f3i s VAL 12 Cb -0.14 -3.77 -0.24 0.00 0.00 0.00 0.00 36.38 32.23 2f3i s VAL 12 CO -0.05 -0.08 0.28 0.29 0.00 0.00 0.00 175.10 175.55 2f3i n LYS 13 N 6.42 0.67 -3.76 2.72 4.76 0.87 -4.82 118.16 125.02 2f3i n LYS 13 Ca 0.15 0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.59 2f3i n LYS 13 Cb 0.44 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 31.98 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 -5.68 -0.24 -0.04 4.39 2.15 -0.62 -4.99 116.67 111.64 2f3i s ASP 14 Ca -0.08 -0.52 -0.03 0.00 0.43 0.00 0.00 52.55 52.36 2f3i s ASP 14 Cb 0.07 0.58 0.02 0.00 -0.30 0.00 0.00 42.92 43.29 2f3i s ASP 14 CO 0.83 -1.06 0.10 -0.63 -0.17 0.00 0.00 175.17 174.24 2f3i s ILE 15 N -3.88 -0.02 -0.35 4.11 1.09 -1.26 -1.26 121.20 119.62 2f3i s ILE 15 Ca 0.10 0.08 0.02 0.00 -1.10 0.00 0.00 60.65 59.76 2f3i s ILE 15 Cb -0.01 -0.16 0.15 0.00 -1.06 0.00 0.00 42.46 41.38 2f3i s ILE 15 CO -0.02 0.03 0.36 -0.62 -0.10 0.00 0.00 174.94 174.59 2f3i s ASP 16 N 0.53 1.28 0.50 3.58 2.15 -0.28 -4.98 116.67 119.46 2f3i s ASP 16 Ca -0.04 -1.35 -0.23 0.00 0.43 0.00 0.00 52.55 51.36 2f3i s ASP 16 Cb -0.06 0.55 -0.06 0.00 -0.30 0.00 0.00 42.92 43.05 2f3i s ASP 16 CO -0.02 -0.29 1.38 -2.84 -0.17 0.00 0.00 175.17 173.22 2f3i s PRO 17 N 1.69 3.42 0.00 4.34 0.02 -1.26 -1.36 135.00 141.84 2f3i s PRO 17 Ca 0.15 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2f3i s PRO 17 Cb -0.15 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 31.93 2f3i s PRO 17 CO -0.11 -0.99 0.68 0.39 -0.33 0.00 0.00 177.00 176.63 2f3i n GLU 18 N -0.62 1.13 -2.38 5.54 1.02 -1.26 -4.92 120.64 119.16 2f3i n GLU 18 Ca 0.08 -0.87 -0.03 0.00 -0.02 0.00 0.00 57.16 56.32 2f3i n GLU 18 Cb 0.44 -0.71 0.01 0.00 -0.02 0.00 0.00 31.44 31.17 2f3i n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f3i n GLY 19 N -0.19 0.45 0.80 0.62 0.00 -1.26 -4.92 105.19 100.68 2f3i n GLY 19 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.40 0.65 0.00 1.61 4.76 -1.26 -4.81 118.16 117.71 2f3i n LYS 20 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2f3i n LYS 20 Cb 0.52 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 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 0.47 0.00 -2.61 1.97 4.76 -1.26 -4.61 118.16 116.88 2f3i n LYS 21 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2f3i n LYS 21 Cb 0.26 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.43 2f3i n LYS 21 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2f3i s PHE 22 N 0.00 2.68 0.15 2.13 0.40 -1.26 -4.85 117.98 117.23 2f3i s PHE 22 Ca 0.00 -1.14 0.33 0.00 -0.60 0.00 0.00 56.93 55.52 2f3i s PHE 22 Cb 0.00 -4.66 1.68 0.00 0.51 0.00 0.00 43.02 40.55 2f3i s PHE 22 CO 0.00 -1.84 2.00 0.22 0.70 0.00 0.00 175.22 176.29 2f3i h ASP 23 N 9.06 0.00 0.47 1.36 3.58 -1.92 0.86 116.42 129.84 2f3i h ASP 23 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2f3i h ASP 23 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2f3i h ASP 23 CO 1.40 0.00 0.00 -2.11 -2.88 0.00 0.00 179.24 175.65 2f3i n ARG 24 N -2.70 0.17 -3.19 0.28 1.85 -1.26 -4.50 116.66 107.30 2f3i n ARG 24 Ca -0.01 0.49 -0.39 0.00 -1.00 0.00 0.00 57.85 56.94 2f3i n ARG 24 Cb 0.11 -1.88 -0.06 0.00 -1.05 0.00 0.00 32.46 29.58 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 -3.38 4.94 0.10 8.89 1.01 0.29 -0.28 120.40 131.98 2f3i s VAL 25 Ca 0.02 1.25 -0.13 0.00 0.00 0.00 0.00 61.98 63.12 2f3i s VAL 25 Cb 0.08 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2f3i s VAL 25 CO 0.32 0.39 0.32 -0.44 0.00 0.00 0.00 175.10 175.69 2f3i s SER 26 N -0.04 -0.10 0.52 3.32 0.01 -0.01 -4.54 113.70 112.86 2f3i s SER 26 Ca 0.31 -0.41 -0.19 0.00 1.31 0.00 0.00 55.95 56.97 2f3i s SER 26 Cb -0.18 0.42 -0.07 0.00 0.21 0.00 0.00 66.02 66.40 2f3i s SER 26 CO 0.17 -0.79 1.08 -0.60 0.41 0.00 0.00 173.24 173.51 2f3i s ARG 27 N -3.68 3.56 0.06 12.44 6.06 -0.46 -1.56 118.95 135.37 2f3i s ARG 27 Ca 0.03 1.45 0.00 0.00 -2.50 0.00 0.00 55.73 54.72 2f3i s ARG 27 Cb 0.03 -2.05 -0.04 0.00 0.06 0.00 0.00 34.95 32.95 2f3i s ARG 27 CO -0.11 -0.65 -0.05 -0.51 -2.50 0.00 0.00 175.30 171.49 2f3i s LEU 28 N -3.71 2.43 -0.03 -0.88 1.43 0.21 -1.12 118.68 117.01 2f3i s LEU 28 Ca 0.69 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2f3i s LEU 28 Cb -0.19 0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.09 2f3i s LEU 28 CO 0.24 -0.46 -0.04 -2.28 0.23 0.00 0.00 176.35 174.04 2f3i s HIS 29 N -3.12 0.58 0.15 0.29 5.65 -0.39 -1.28 115.29 117.16 2f3i s HIS 29 Ca 0.03 -0.12 -0.02 0.00 0.25 0.00 0.00 55.06 55.19 2f3i s HIS 29 Cb 0.02 -0.49 -0.04 0.00 -1.18 0.00 0.00 32.58 30.89 2f3i s HIS 29 CO -0.06 -0.11 0.10 0.00 -0.65 0.00 0.00 174.74 174.03 2f3i s GLU 31 N -4.05 0.56 0.27 0.00 2.12 -0.55 -1.46 118.70 115.59 2f3i s GLU 31 Ca 0.25 -0.43 -0.21 0.00 0.36 0.00 0.00 54.97 54.94 2f3i s GLU 31 Cb 0.07 -0.48 -0.09 0.00 0.26 0.00 0.00 34.13 33.89 2f3i s GLU 31 CO 0.03 0.12 0.80 -1.54 -0.54 0.00 0.00 175.26 174.13 2f3i s SER 32 N -0.66 7.09 0.09 -1.70 1.04 -0.51 -0.77 113.70 118.28 2f3i s SER 32 Ca -0.01 1.53 0.03 0.00 0.48 0.00 0.00 55.95 57.97 2f3i s SER 32 Cb -0.05 -2.46 -0.24 0.00 0.10 0.00 0.00 66.02 63.36 2f3i s SER 32 CO 0.00 -0.05 1.19 -0.33 0.98 0.00 0.00 173.24 175.03 2f3i h GLU 33 N 3.12 0.11 0.00 4.02 4.39 -1.31 -3.00 114.58 121.91 2f3i h GLU 33 Ca -0.48 -0.19 -0.33 0.00 0.34 0.00 0.00 59.36 58.71 2f3i h GLU 33 Cb 1.19 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.85 2f3i h GLU 33 CO 0.65 1.07 -2.24 0.43 -1.16 0.00 0.00 179.01 177.75 2f3i n SER 34 N -3.41 1.32 -0.00 1.42 7.64 -1.26 -4.65 113.62 114.68 2f3i n SER 34 Ca -0.04 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2f3i n SER 34 Cb 0.98 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 64.57 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 -2.87 0.00 -4.25 1.43 3.72 -1.26 -5.02 117.46 109.21 2f3i n PHE 35 Ca -0.33 -0.47 -0.37 0.00 -0.05 0.00 0.00 57.45 56.23 2f3i n PHE 35 Cb 1.01 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 39.45 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 -0.48 -1.92 -1.50 -1.08 -0.00 -1.13 -4.77 118.16 107.28 2f3i n LYS 36 Ca 0.00 0.24 -0.34 0.00 -0.00 0.00 0.00 58.31 58.21 2f3i n LYS 36 Cb 0.28 -4.88 0.08 0.00 -0.00 0.00 0.00 35.03 30.51 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2f3i s MET 37 N -6.93 2.27 -0.16 -1.58 -1.94 -1.26 -4.75 119.30 104.95 2f3i s MET 37 Ca 0.74 1.71 -0.02 0.00 -1.71 0.00 0.00 55.69 56.41 2f3i s MET 37 Cb -0.42 -1.85 -0.02 0.00 2.01 0.00 0.00 34.83 34.55 2f3i s MET 37 CO 0.90 -1.72 -0.09 0.34 -0.01 0.00 0.00 175.02 174.44 2f3i s ASP 38 N -2.10 4.26 0.01 3.03 2.15 -0.23 -1.43 116.67 122.37 2f3i s ASP 38 Ca 0.73 -0.29 0.01 0.00 0.43 0.00 0.00 52.55 53.43 2f3i s ASP 38 Cb -0.28 -1.68 -0.01 0.00 -0.30 0.00 0.00 42.92 40.65 2f3i s ASP 38 CO 0.44 0.13 -0.04 -0.22 -0.17 0.00 0.00 175.17 175.31 2f3i s LEU 39 N 0.60 2.12 0.08 -1.34 2.96 -0.53 -0.75 118.68 121.82 2f3i s LEU 39 Ca -0.06 -0.28 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 2f3i s LEU 39 Cb -0.15 -0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.41 2f3i s LEU 39 CO 0.03 -0.10 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.15 2f3i s ILE 40 N -0.73 1.40 0.09 6.68 -1.09 0.33 -0.81 121.20 127.06 2f3i s ILE 40 Ca -0.06 -1.36 -0.05 0.00 -2.23 0.00 0.00 60.65 56.95 2f3i s ILE 40 Cb -0.05 -1.29 -0.02 0.00 -1.58 0.00 0.00 42.46 39.51 2f3i s ILE 40 CO -0.00 -0.10 0.10 -0.76 -1.23 0.00 0.00 174.94 172.95 2f3i s LEU 41 N -1.70 1.82 -0.33 2.97 1.02 -0.40 -0.70 118.68 121.36 2f3i s LEU 41 Ca 0.03 -0.86 -0.01 0.00 0.02 0.00 0.00 54.13 53.30 2f3i s LEU 41 Cb -0.10 0.65 0.12 0.00 0.02 0.00 0.00 46.19 46.89 2f3i s LEU 41 CO 0.03 -0.70 0.17 -0.62 0.02 0.00 0.00 176.35 175.26 2f3i s ASP 42 N -2.91 3.32 0.20 2.29 2.15 0.28 -0.62 116.67 121.37 2f3i s ASP 42 Ca 0.09 -1.84 -0.05 0.00 0.43 0.00 0.00 52.55 51.18 2f3i s ASP 42 Cb 0.06 -0.47 -0.03 0.00 -0.30 0.00 0.00 42.92 42.19 2f3i s ASP 42 CO -0.08 -0.36 0.23 0.68 -0.17 0.00 0.00 175.17 175.47 2f3i s VAL 43 N 1.45 0.02 0.28 1.11 -7.23 -0.60 -1.78 120.40 113.66 2f3i s VAL 43 Ca 0.14 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.26 2f3i s VAL 43 Cb -0.20 -2.27 -0.12 0.00 0.56 0.00 0.00 36.38 34.35 2f3i s VAL 43 CO -0.15 -0.10 1.63 0.21 -0.31 0.00 0.00 175.10 176.38 2f3i s ASN 44 N -3.08 6.35 0.00 4.85 2.47 -1.26 -0.83 114.94 123.44 2f3i s ASN 44 Ca 0.30 2.96 0.04 0.00 0.42 0.00 0.00 52.86 56.58 2f3i s ASN 44 Cb 0.05 -2.63 0.05 0.00 -1.45 0.00 0.00 41.25 37.27 2f3i s ASN 44 CO 0.08 -0.95 0.73 2.30 -3.72 0.00 0.00 177.10 175.55 2f3i n ILE 45 N 2.50 0.21 0.25 -5.21 -6.64 0.61 -4.78 119.36 106.31 2f3i n ILE 45 Ca 0.10 -0.61 0.07 0.00 -1.77 0.00 0.00 62.75 60.54 2f3i n ILE 45 Cb 0.37 0.96 0.33 0.00 -1.44 0.00 0.00 39.64 39.86 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 0.16 0.08 0.31 6.28 10.64 -1.26 -0.24 117.38 133.35 2f3i n GLN 46 Ca 0.03 0.45 0.19 0.00 -1.83 0.00 0.00 57.00 55.84 2f3i n GLN 46 Cb 0.15 -1.70 1.04 0.00 -0.86 0.00 0.00 30.24 28.87 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 0.24 -2.81 -0.39 2.04 -1.95 -3.43 117.51 111.21 2f3i h ILE 47 Ca 0.00 0.00 -0.47 0.00 1.00 0.00 0.00 64.86 65.39 2f3i h ILE 47 Cb 0.15 0.95 -0.14 0.00 -0.74 0.00 0.00 36.82 37.03 2f3i h ILE 47 CO 0.00 0.00 -0.64 -0.31 0.00 0.00 0.00 178.15 177.20 2f3i s TYR 48 N -4.37 1.91 0.85 1.37 2.02 0.67 -5.13 117.35 114.66 2f3i s TYR 48 Ca -0.05 -0.84 -0.14 0.00 -0.37 0.00 0.00 57.07 55.68 2f3i s TYR 48 Cb 0.14 -1.16 0.01 0.00 -0.40 0.00 0.00 41.96 40.54 2f3i s TYR 48 CO 0.46 0.13 0.48 -2.30 -1.57 0.00 0.00 175.55 172.75 2f3i n PRO 49 N -0.61 -0.02 0.03 -1.71 -0.02 -1.26 -4.86 135.00 126.55 2f3i n PRO 49 Ca -0.04 0.04 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 2f3i n PRO 49 Cb 0.65 -1.87 0.09 0.00 -0.02 0.00 0.00 33.50 32.35 2f3i n PRO 49 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2f3i n VAL 50 N -3.08 1.81 -2.37 -1.45 0.24 -1.26 -1.83 118.33 110.39 2f3i n VAL 50 Ca 0.08 0.54 0.03 0.00 -2.04 0.00 0.00 64.34 62.95 2f3i n VAL 50 Cb 0.52 -1.54 0.02 0.00 -1.47 0.00 0.00 33.84 31.37 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 -1.61 0.76 -4.10 -1.34 2.03 -1.26 -4.85 116.55 106.17 2f3i n ASP 51 Ca -0.00 -2.01 -0.09 0.00 0.52 0.00 0.00 54.79 53.21 2f3i n ASP 51 Cb 0.02 -0.28 -0.10 0.00 -0.72 0.00 0.00 41.12 40.04 2f3i n ASP 51 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2f3i s LEU 52 N -0.02 1.95 0.15 -2.67 2.96 -0.76 -4.90 118.68 115.39 2f3i s LEU 52 Ca 0.26 -1.08 -0.25 0.00 -0.22 0.00 0.00 54.13 52.83 2f3i s LEU 52 Cb 0.29 0.36 0.06 0.00 0.50 0.00 0.00 46.19 47.41 2f3i s LEU 52 CO -0.13 -0.69 0.89 -0.83 -1.32 0.00 0.00 176.35 174.27 2f3i s GLY 53 N -2.99 -0.27 0.19 7.98 0.00 -1.26 -4.51 107.32 106.46 2f3i s GLY 53 Ca 0.17 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.11 2f3i s GLY 53 CO -0.03 0.05 0.00 1.34 0.00 0.00 0.00 173.10 174.46 2f3i n ASP 54 N -0.43 -0.34 -3.88 1.64 2.03 -1.26 -4.86 116.55 109.45 2f3i n ASP 54 Ca -0.07 0.33 -0.09 0.00 0.52 0.00 0.00 54.79 55.48 2f3i n ASP 54 Cb 0.61 0.47 -0.07 0.00 -0.72 0.00 0.00 41.12 41.41 2f3i n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2f3i s LYS 55 N -1.59 1.04 0.24 -0.67 1.02 -1.26 -0.79 119.74 117.72 2f3i s LYS 55 Ca 0.00 -1.03 -0.05 0.00 0.02 0.00 0.00 55.97 54.91 2f3i s LYS 55 Cb 0.00 0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 37.67 2f3i s LYS 55 CO 0.00 -0.37 0.30 -0.06 -0.92 0.00 0.00 175.35 174.30 2f3i s PHE 56 N -3.91 0.88 -0.06 3.18 0.08 -0.51 -4.69 117.98 112.96 2f3i s PHE 56 Ca 0.11 -1.14 -0.01 0.00 0.12 0.00 0.00 56.93 56.01 2f3i s PHE 56 Cb 0.04 -0.24 0.03 0.00 -0.57 0.00 0.00 43.02 42.27 2f3i s PHE 56 CO -0.06 -0.84 -0.00 0.50 -0.10 0.00 0.00 175.22 174.73 2f3i s ARG 57 N -3.96 0.55 0.06 0.44 3.52 -0.43 -0.47 118.95 118.66 2f3i s ARG 57 Ca 0.32 0.08 0.07 0.00 -0.13 0.00 0.00 55.73 56.08 2f3i s ARG 57 Cb 0.03 -0.83 -0.03 0.00 -1.56 0.00 0.00 34.95 32.56 2f3i s ARG 57 CO 0.13 -0.23 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.67 2f3i s LEU 58 N 1.63 2.21 -0.24 -0.88 1.02 -0.39 -0.47 118.68 121.54 2f3i s LEU 58 Ca -0.01 -0.57 -0.13 0.00 0.02 0.00 0.00 54.13 53.45 2f3i s LEU 58 Cb -0.13 -0.92 0.08 0.00 0.02 0.00 0.00 46.19 45.24 2f3i s LEU 58 CO -0.03 0.12 0.59 0.54 0.02 0.00 0.00 176.35 177.58 2f3i s VAL 59 N -0.91 -0.16 0.29 -1.59 0.11 -0.19 -1.49 120.40 116.45 2f3i s VAL 59 Ca 0.07 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.22 2f3i s VAL 59 Cb -0.09 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2f3i s VAL 59 CO 0.02 0.02 1.69 -0.29 -3.33 0.00 0.00 175.10 173.21 2f3i h ILE 60 N 5.35 1.31 -3.00 7.04 6.09 -1.71 -1.29 117.51 131.30 2f3i h ILE 60 Ca -0.30 -1.55 0.34 0.00 -1.37 0.00 0.00 64.86 61.98 2f3i h ILE 60 Cb 1.19 1.71 -0.11 0.00 0.47 0.00 0.00 36.82 40.08 2f3i h ILE 60 CO 0.19 0.46 -0.63 0.00 -3.07 0.00 0.00 178.15 175.11 2f3i n ALA 61 N -2.47 -3.60 1.85 0.18 0.00 -1.26 -4.32 120.51 110.89 2f3i n ALA 61 Ca -0.02 0.51 0.07 0.00 0.00 0.00 0.00 53.44 54.01 2f3i n ALA 61 Cb 0.49 -1.28 0.40 0.00 0.00 0.00 0.00 19.45 19.06 2f3i n ALA 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2f3i n SER 62 N -4.32 0.30 -1.24 0.00 7.64 -1.26 -2.34 113.62 112.39 2f3i n SER 62 Ca -0.01 -1.60 0.16 0.00 1.01 0.00 0.00 58.87 58.43 2f3i n SER 62 Cb 0.66 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.79 2f3i n SER 62 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2f3i n THR 63 N -0.53 0.00 -0.46 0.44 -1.04 -1.26 -4.19 114.28 107.24 2f3i n THR 63 Ca 0.11 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.13 2f3i n THR 63 Cb 0.10 -0.40 0.01 0.00 -1.82 0.00 0.00 70.33 68.22 2f3i n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2f3i n LEU 64 N 0.00 1.34 -4.08 -4.42 -0.00 -1.26 -5.01 117.00 103.58 2f3i n LEU 64 Ca 0.01 -1.44 -0.38 0.00 -0.00 0.00 0.00 56.01 54.20 2f3i n LEU 64 Cb 0.53 -0.03 -0.01 0.00 -0.00 0.00 0.00 43.42 43.91 2f3i n LEU 64 CO 0.01 0.35 -0.24 -1.22 -0.00 0.00 0.00 177.39 176.29 2f3i n TYR 65 N -0.40 -1.45 0.33 1.47 4.02 -1.26 -4.35 117.16 115.52 2f3i n TYR 65 Ca 0.01 0.34 0.22 0.00 -0.01 0.00 0.00 57.90 58.46 2f3i n TYR 65 Cb 0.37 -2.98 1.18 0.00 -0.02 0.00 0.00 39.34 37.89 2f3i n TYR 65 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2f3i h GLU 66 N -2.23 0.00 0.00 -0.72 5.08 -1.97 -1.90 114.58 112.84 2f3i h GLU 66 Ca -0.69 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.66 2f3i h GLU 66 Cb 1.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2f3i h GLU 66 CO 0.58 0.00 -0.05 0.22 -1.00 0.00 0.00 179.01 178.75 2f3i h ASP 67 N 0.00 0.00 0.00 1.42 3.58 -2.02 -3.46 116.42 115.94 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 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2f3i h ASP 67 CO -0.00 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 2f3i n GLY 68 N -1.10 0.86 0.30 -0.78 0.00 -0.72 -5.03 105.19 98.71 2f3i n GLY 68 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 0.75 0.00 2.61 2.02 -1.87 -1.25 112.91 115.17 2f3i h THR 69 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2f3i h THR 69 Cb 0.00 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2f3i h THR 69 CO 0.00 0.00 -0.86 0.18 0.37 0.00 0.00 175.52 175.21 2f3i n LEU 70 N -4.21 0.00 0.27 2.58 4.77 -1.20 -4.62 117.00 114.60 2f3i n LEU 70 Ca -0.01 -0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.05 2f3i n LEU 70 Cb 0.19 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.04 2f3i n LEU 70 CO 0.31 0.00 1.08 -0.78 -1.33 0.00 0.00 177.39 176.67 2f3i h ASP 71 N 0.00 0.00 0.24 -1.43 3.58 -1.50 -0.06 116.42 117.25 2f3i h ASP 71 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 71 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2f3i h ASP 71 CO 0.00 0.02 0.00 -0.67 -2.88 0.00 0.00 179.24 175.71 2f3i n ASP 72 N -4.18 0.00 0.00 2.28 2.03 -0.49 -2.57 116.55 113.62 2f3i n ASP 72 Ca -0.03 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.77 2f3i n ASP 72 Cb 0.10 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 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 -0.77 0.62 4.26 0.27 0.00 -0.77 -5.03 105.19 103.77 2f3i n GLY 73 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.01 -2.63 -1.81 1.61 2.13 -0.11 -4.85 120.64 114.98 2f3i n GLU 74 Ca 0.00 0.32 -0.42 0.00 0.66 0.00 0.00 57.16 57.72 2f3i n GLU 74 Cb 0.20 -4.91 -0.03 0.00 0.27 0.00 0.00 31.44 26.97 2f3i n GLU 74 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2f3i s TYR 75 N -3.40 1.55 -0.28 4.31 2.02 -1.12 -4.94 117.35 115.50 2f3i s TYR 75 Ca 0.66 -0.03 0.02 0.00 -0.37 0.00 0.00 57.07 57.35 2f3i s TYR 75 Cb -0.36 -4.08 0.17 0.00 -0.40 0.00 0.00 41.96 37.29 2f3i s TYR 75 CO 0.95 -4.58 0.50 1.21 -1.57 0.00 0.00 175.55 172.05 2f3i s ASN 76 N 4.64 -0.63 0.63 2.29 2.47 -1.26 -4.97 114.94 118.10 2f3i s ASN 76 Ca 0.84 0.17 0.30 0.00 0.42 0.00 0.00 52.86 54.59 2f3i s ASN 76 Cb -0.37 1.62 1.65 0.00 -1.45 0.00 0.00 41.25 42.70 2f3i s ASN 76 CO 0.36 -0.31 1.99 -0.65 -3.72 0.00 0.00 177.10 174.77 2f3i h PRO 77 N 8.08 0.00 -5.66 0.43 0.11 -2.04 -3.46 132.00 129.47 2f3i h PRO 77 Ca -0.11 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.59 2f3i h PRO 77 Cb 1.16 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 2f3i h PRO 77 CO 0.23 0.00 -0.62 2.41 -0.21 0.00 0.00 178.00 179.81 2f3i n THR 78 N -3.36 -1.19 -1.37 -1.15 -1.04 -1.26 -4.82 114.28 100.08 2f3i n THR 78 Ca 0.02 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.64 2f3i n THR 78 Cb 0.43 -2.04 -0.02 0.00 -1.82 0.00 0.00 70.33 66.88 2f3i n THR 78 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2f3i n ASP 79 N -2.42 5.80 0.00 8.00 2.03 -1.26 -3.04 116.55 125.67 2f3i n ASP 79 Ca -0.00 -2.65 0.00 0.00 0.52 0.00 0.00 54.79 52.66 2f3i n ASP 79 Cb 0.54 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 2f3i n ASP 79 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2f3i n ASP 80 N 5.01 0.00 -0.10 1.67 2.03 -1.26 -4.91 116.55 118.99 2f3i n ASP 80 Ca 0.61 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.82 2f3i n ASP 80 Cb 0.29 0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.94 2f3i n ASP 80 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2f3i h ARG 81 N 0.00 0.52 -0.73 -0.67 3.08 -1.87 -2.65 114.38 112.06 2f3i h ARG 81 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2f3i h ARG 81 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2f3i h ARG 81 CO 0.00 0.66 0.00 -0.35 -1.07 0.00 0.00 179.97 179.21 2f3i n PRO 82 N -4.58 2.67 -1.71 0.04 -0.04 -1.26 -4.85 135.00 125.27 2f3i n PRO 82 Ca -0.03 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 2f3i n PRO 82 Cb 0.25 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.33 0.43 -4.60 3.54 7.64 -1.00 -5.07 113.62 114.89 2f3i n SER 83 Ca 0.13 -0.86 -0.43 0.00 1.01 0.00 0.00 58.87 58.73 2f3i n SER 83 Cb 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 2f3i n SER 83 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2f3i s ARG 84 N -1.57 3.20 0.00 1.43 0.52 -1.26 -4.85 118.95 116.42 2f3i s ARG 84 Ca 0.00 1.68 0.00 0.00 -0.52 0.00 0.00 55.73 56.89 2f3i s ARG 84 Cb 0.00 -4.29 0.00 0.00 0.52 0.00 0.00 34.95 31.18 2f3i s ARG 84 CO 0.00 -2.02 0.53 0.00 0.02 0.00 0.00 175.30 173.83 2f3i n ALA 85 N 11.09 2.18 0.04 2.13 0.00 -1.22 -4.44 120.51 130.29 2f3i n ALA 85 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 2f3i n ALA 85 Cb 0.46 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 0.33 4.42 -4.16 0.00 2.03 -1.26 -4.83 116.55 113.09 2f3i n ASP 86 Ca 0.00 -2.39 -0.35 0.00 0.52 0.00 0.00 54.79 52.57 2f3i n ASP 86 Cb 0.27 -0.84 -0.04 0.00 -0.72 0.00 0.00 41.12 39.78 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 0.79 -1.10 -0.32 -0.67 1.13 -1.26 -4.86 117.38 111.09 2f3i n GLN 87 Ca 0.07 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 2f3i n GLN 87 Cb 0.57 -3.43 0.00 0.00 0.11 0.00 0.00 30.24 27.49 2f3i n GLN 87 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2f3i n PHE 88 N -4.68 0.00 -3.59 1.08 3.72 -1.26 -4.49 117.46 108.23 2f3i n PHE 88 Ca -0.25 -0.70 -0.02 0.00 -0.05 0.00 0.00 57.45 56.43 2f3i n PHE 88 Cb 0.65 -0.40 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 2f3i n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2f3i s GLU 89 N 0.42 0.51 0.03 -1.08 2.12 -1.26 -4.90 118.70 114.55 2f3i s GLU 89 Ca 0.00 1.06 -0.12 0.00 0.36 0.00 0.00 54.97 56.27 2f3i s GLU 89 Cb 0.00 0.40 0.01 0.00 0.26 0.00 0.00 34.13 34.81 2f3i s GLU 89 CO 0.00 -0.14 0.26 -0.47 -0.54 0.00 0.00 175.26 174.38 2f3i s TYR 90 N 2.11 -0.06 0.04 5.30 5.04 -0.08 -4.98 117.35 124.72 2f3i s TYR 90 Ca -0.07 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.49 2f3i s TYR 90 Cb -0.07 0.05 -0.03 0.00 0.35 0.00 0.00 41.96 42.27 2f3i s TYR 90 CO -0.18 -0.46 -0.06 0.14 -1.34 0.00 0.00 175.55 173.65 2f3i s VAL 91 N -2.39 0.44 0.15 3.14 -7.23 -1.26 -0.68 120.40 112.57 2f3i s VAL 91 Ca -0.06 -1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 58.76 2f3i s VAL 91 Cb -0.02 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 36.23 2f3i s VAL 91 CO -0.03 -0.51 0.40 -0.32 -0.31 0.00 0.00 175.10 174.33 2f3i s MET 92 N -1.99 1.14 0.05 4.82 1.75 -0.28 -4.99 119.30 119.80 2f3i s MET 92 Ca -0.08 -0.83 0.02 0.00 -1.25 0.00 0.00 55.69 53.55 2f3i s MET 92 Cb -0.07 0.46 -0.03 0.00 2.84 0.00 0.00 34.83 38.04 2f3i s MET 92 CO -0.01 -0.45 -0.07 0.71 -0.65 0.00 0.00 175.02 174.55 2f3i s TYR 93 N -3.85 0.62 0.00 4.11 2.02 -1.26 -1.51 117.35 117.48 2f3i s TYR 93 Ca 0.07 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 2f3i s TYR 93 Cb 0.02 -0.38 0.00 0.00 -0.40 0.00 0.00 41.96 41.20 2f3i s TYR 93 CO -0.08 -0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.19 2f3i n GLY 94 N 1.23 3.20 2.93 0.71 0.00 -0.18 -1.31 105.19 111.78 2f3i n GLY 94 Ca -0.21 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 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 1.25 0.10 0.29 1.61 2.47 0.28 -4.66 119.74 121.08 2f3i s LYS 95 Ca 0.00 0.57 -0.28 0.00 -1.56 0.00 0.00 55.97 54.70 2f3i s LYS 95 Cb 0.00 -0.17 -0.09 0.00 -1.46 0.00 0.00 37.83 36.11 2f3i s LYS 95 CO 0.00 -0.25 1.00 0.08 0.16 0.00 0.00 175.35 176.34 2f3i s VAL 96 N 1.92 3.91 -0.38 4.02 1.01 -1.21 -1.73 120.40 127.94 2f3i s VAL 96 Ca -0.02 1.77 0.10 0.00 0.00 0.00 0.00 61.98 63.83 2f3i s VAL 96 Cb -0.12 -4.07 0.30 0.00 0.00 0.00 0.00 36.38 32.50 2f3i s VAL 96 CO -0.07 0.31 0.63 0.00 0.00 0.00 0.00 175.10 175.97 2f3i n TYR 97 N 0.97 -0.10 -3.87 5.22 4.11 0.49 -4.92 117.16 119.06 2f3i n TYR 97 Ca 0.00 -3.69 -0.09 0.00 -0.00 0.00 0.00 57.90 54.13 2f3i n TYR 97 Cb 0.48 -0.38 -0.04 0.00 -0.00 0.00 0.00 39.34 39.39 2f3i n TYR 97 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 2f3i s ARG 98 N -1.81 1.49 0.66 -3.48 6.06 -1.26 -4.50 118.95 116.11 2f3i s ARG 98 Ca 0.38 -1.06 -0.09 0.00 -2.50 0.00 0.00 55.73 52.46 2f3i s ARG 98 Cb 0.26 0.50 0.15 0.00 0.06 0.00 0.00 34.95 35.92 2f3i s ARG 98 CO -0.09 -0.63 0.90 0.44 -2.50 0.00 0.00 175.30 173.42 2f3i n ILE 99 N -0.36 0.00 1.22 4.11 -5.35 -1.26 -4.94 119.36 112.78 2f3i n ILE 99 Ca -0.06 -0.83 0.11 0.00 -0.27 0.00 0.00 62.75 61.70 2f3i n ILE 99 Cb 0.62 -1.47 0.61 0.00 -1.74 0.00 0.00 39.64 37.66 2f3i n ILE 99 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2f3i n GLU 100 N -2.86 0.50 -3.73 6.28 0.28 -1.26 -4.08 120.64 115.77 2f3i n GLU 100 Ca 0.12 0.04 -0.26 0.00 -0.16 0.00 0.00 57.16 56.91 2f3i n GLU 100 Cb 0.42 -1.50 0.05 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 0.52 -0.48 2.28 -1.84 0.00 -1.26 -4.41 105.19 100.00 2f3i n GLY 101 Ca 0.14 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 2f3i n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2f3i n ASP 102 N -2.96 -0.07 -3.44 1.61 2.03 -0.85 -3.39 116.55 109.48 2f3i n ASP 102 Ca -0.04 -2.95 -0.23 0.00 0.52 0.00 0.00 54.79 52.09 2f3i n ASP 102 Cb 0.57 -0.20 -0.11 0.00 -0.72 0.00 0.00 41.12 40.66 2f3i n ASP 102 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2f3i s GLU 103 N -1.36 0.42 0.50 -0.67 2.12 -0.03 -4.89 118.70 114.78 2f3i s GLU 103 Ca 0.36 -0.71 -0.22 0.00 0.36 0.00 0.00 54.97 54.75 2f3i s GLU 103 Cb 0.25 -0.97 -0.06 0.00 0.26 0.00 0.00 34.13 33.61 2f3i s GLU 103 CO -0.11 -1.11 1.26 0.95 -0.54 0.00 0.00 175.26 175.71 2f3i s THR 104 N 1.75 2.59 0.00 -1.70 -4.23 -1.26 -2.28 115.64 110.51 2f3i s THR 104 Ca 0.13 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 2f3i s THR 104 Cb -0.17 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2f3i s THR 104 CO -0.19 -0.01 0.00 -1.54 -0.54 0.00 0.00 174.62 172.35 2f3i n SER 105 N -0.76 0.00 -1.30 3.99 3.41 -1.26 -4.85 113.62 112.85 2f3i n SER 105 Ca 0.09 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.74 2f3i n SER 105 Cb 0.46 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.48 2f3i n SER 105 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2f3i n THR 106 N 0.00 0.49 -4.12 6.66 -1.04 -1.26 -5.01 114.28 110.00 2f3i n THR 106 Ca 0.00 -1.49 -0.32 0.00 -2.04 0.00 0.00 64.05 60.20 2f3i n THR 106 Cb 0.00 0.73 -0.03 0.00 -1.82 0.00 0.00 70.33 69.21 2f3i n THR 106 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2f3i n GLU 107 N 0.14 -3.23 -1.79 -2.82 1.02 -1.26 -4.87 120.64 107.84 2f3i n GLU 107 Ca 0.09 0.38 -0.26 0.00 -0.02 0.00 0.00 57.16 57.35 2f3i n GLU 107 Cb 1.05 -4.86 0.04 0.00 -0.02 0.00 0.00 31.44 27.65 2f3i n GLU 107 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f3i n ALA 108 N -4.41 5.31 0.86 0.62 0.00 -0.97 -4.75 120.51 117.17 2f3i n ALA 108 Ca -0.07 -3.69 0.10 0.00 0.00 0.00 0.00 53.44 49.78 2f3i n ALA 108 Cb 0.57 -0.70 0.03 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.78 3.03 -2.30 0.00 0.00 -1.22 -0.85 120.51 118.39 2f3i n ALA 109 Ca 0.48 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 2f3i n ALA 109 Cb 0.89 -0.68 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 2f3i n ALA 109 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2f3i s THR 110 N -2.01 0.78 0.21 0.00 -4.23 -1.22 -4.53 115.64 104.64 2f3i s THR 110 Ca 0.19 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 2f3i s THR 110 Cb 0.16 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.46 2f3i s THR 110 CO 0.40 -0.76 0.00 0.54 -0.54 0.00 0.00 174.62 174.26 2f3i n ARG 111 N 0.18 -5.54 -1.72 3.99 3.00 -1.25 -4.84 116.66 110.48 2f3i n ARG 111 Ca -0.14 3.90 -0.40 0.00 -0.01 0.00 0.00 57.85 61.21 2f3i n ARG 111 Cb 0.60 -4.24 0.03 0.00 0.00 0.00 0.00 32.46 28.84 2f3i n ARG 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2f3i n LEU 112 N 1.93 4.62 -4.31 0.55 7.94 0.11 -4.46 117.00 123.39 2f3i n LEU 112 Ca 0.00 1.05 -0.26 0.00 -1.11 0.00 0.00 56.01 55.69 2f3i n LEU 112 Cb 0.00 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.29 2f3i n LEU 112 CO 0.00 -0.65 -0.53 -0.94 -1.11 0.00 0.00 177.39 174.16 2f3i s SER 113 N -0.69 2.73 -0.24 1.96 1.04 -1.26 -1.47 113.70 115.78 2f3i s SER 113 Ca 0.65 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 56.38 2f3i s SER 113 Cb -0.46 -0.17 0.12 0.00 0.10 0.00 0.00 66.02 65.60 2f3i s SER 113 CO 0.54 0.11 0.31 0.00 0.98 0.00 0.00 173.24 175.18 2f3i s ALA 114 N -1.07 -0.69 -0.22 5.32 0.00 0.08 -4.48 121.76 120.70 2f3i s ALA 114 Ca 0.08 0.45 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 2f3i s ALA 114 Cb -0.10 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 2f3i s ALA 114 CO 0.04 -1.33 0.53 0.71 0.00 0.00 0.00 175.76 175.72 2f3i s TYR 115 N 2.43 3.34 -0.19 0.00 1.51 -1.26 -0.62 117.35 122.56 2f3i s TYR 115 Ca 0.10 0.75 -0.01 0.00 -1.01 0.00 0.00 57.07 56.90 2f3i s TYR 115 Cb -0.15 -2.71 0.05 0.00 -0.11 0.00 0.00 41.96 39.04 2f3i s TYR 115 CO -0.17 -0.17 -0.03 0.08 -1.11 0.00 0.00 175.55 174.14 2f3i s VAL 116 N 1.91 1.05 -0.10 0.71 1.01 0.05 -0.38 120.40 124.66 2f3i s VAL 116 Ca 0.24 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 2f3i s VAL 116 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2f3i s VAL 116 CO 0.09 -0.01 0.64 -0.94 0.00 0.00 0.00 175.10 174.88 2f3i s SER 117 N 1.64 6.86 -0.11 3.32 1.04 -0.71 -1.00 113.70 124.74 2f3i s SER 117 Ca -0.01 1.04 -0.07 0.00 0.48 0.00 0.00 55.95 57.38 2f3i s SER 117 Cb -0.17 -2.37 0.04 0.00 0.10 0.00 0.00 66.02 63.62 2f3i s SER 117 CO -0.07 -0.12 0.27 -0.72 0.98 0.00 0.00 173.24 173.58 2f3i s TYR 118 N 0.97 -0.34 -0.98 5.02 1.13 0.02 -0.56 117.35 122.61 2f3i s TYR 118 Ca 0.33 0.80 -0.06 0.00 -1.41 0.00 0.00 57.07 56.74 2f3i s TYR 118 Cb -0.17 0.09 0.05 0.00 -1.10 0.00 0.00 41.96 40.83 2f3i s TYR 118 CO 0.15 -0.20 0.26 0.41 -2.51 0.00 0.00 175.55 173.65 2f3i n GLY 119 N 3.67 -0.49 2.13 5.49 0.00 -0.43 -0.49 105.19 115.08 2f3i n GLY 119 Ca -0.20 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.92 0.59 3.54 -0.02 0.00 -1.26 -5.03 105.19 102.10 2f3i n GLY 120 Ca -0.04 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.59 2.02 0.04 0.99 1.43 0.36 -5.10 118.68 117.82 2f3i s LEU 121 Ca 0.00 -1.70 0.00 0.00 -1.03 0.00 0.00 54.13 51.40 2f3i s LEU 121 Cb 0.00 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 46.05 2f3i s LEU 121 CO 0.00 -0.95 -0.04 -0.22 0.23 0.00 0.00 176.35 175.37 2f3i s LEU 122 N -3.64 2.35 0.05 1.79 2.96 -0.73 -0.80 118.68 120.65 2f3i s LEU 122 Ca 0.21 -0.71 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 2f3i s LEU 122 Cb 0.02 0.08 -0.01 0.00 0.50 0.00 0.00 46.19 46.78 2f3i s LEU 122 CO 0.14 -0.40 0.08 -0.04 -1.32 0.00 0.00 176.35 174.81 2f3i s MET 123 N -2.49 0.61 -0.08 1.98 -1.94 -0.17 -0.56 119.30 116.65 2f3i s MET 123 Ca -0.05 -0.85 -0.02 0.00 -1.71 0.00 0.00 55.69 53.06 2f3i s MET 123 Cb -0.03 0.24 0.04 0.00 2.01 0.00 0.00 34.83 37.08 2f3i s MET 123 CO -0.04 -0.15 0.04 1.03 -0.01 0.00 0.00 175.02 175.88 2f3i s ARG 124 N -2.94 0.30 0.09 2.03 0.52 0.12 -0.77 118.95 118.30 2f3i s ARG 124 Ca -0.02 0.13 0.08 0.00 -0.52 0.00 0.00 55.73 55.40 2f3i s ARG 124 Cb 0.01 -1.01 -0.03 0.00 0.52 0.00 0.00 34.95 34.43 2f3i s ARG 124 CO -0.06 -0.39 -0.20 -1.17 0.02 0.00 0.00 175.30 173.50 2f3i s LEU 125 N 2.05 2.27 0.02 2.53 2.96 0.21 -0.52 118.68 128.20 2f3i s LEU 125 Ca 0.04 -0.64 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 2f3i s LEU 125 Cb -0.13 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 2f3i s LEU 125 CO -0.05 0.07 -0.03 -1.10 -1.32 0.00 0.00 176.35 173.91 2f3i s GLN 126 N -1.74 0.29 0.10 1.98 -0.21 0.07 -0.74 119.66 119.41 2f3i s GLN 126 Ca 0.06 -0.55 -0.26 0.00 0.02 0.00 0.00 55.36 54.63 2f3i s GLN 126 Cb -0.10 0.07 0.08 0.00 1.00 0.00 0.00 33.01 34.06 2f3i s GLN 126 CO 0.04 -0.04 0.88 0.20 -2.12 0.00 0.00 175.29 174.24 2f3i s GLY 127 N -1.29 -0.35 -1.02 3.09 0.00 -0.54 -1.07 107.32 106.14 2f3i s GLY 127 Ca -0.14 0.46 -0.23 0.00 0.00 0.00 0.00 44.72 44.81 2f3i s GLY 127 CO -0.01 0.14 1.86 -0.35 0.00 0.00 0.00 173.10 174.74 2f3i s ASP 128 N -2.75 5.41 0.00 1.64 2.15 -1.26 -0.71 116.67 121.16 2f3i s ASP 128 Ca 0.08 -1.17 0.00 0.00 0.43 0.00 0.00 52.55 51.89 2f3i s ASP 128 Cb -0.02 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2f3i s ASP 128 CO -0.03 -2.56 0.00 0.00 -0.17 0.00 0.00 175.17 172.41 2f3i n ALA 129 N 13.01 0.00 0.15 3.66 0.00 -1.26 -0.69 120.51 135.37 2f3i n ALA 129 Ca 0.41 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.93 2f3i n ALA 129 Cb 0.47 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.31 2f3i n ALA 129 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2f3i n ASN 130 N 0.00 0.38 0.05 0.00 2.04 -1.26 -0.76 115.26 115.70 2f3i n ASN 130 Ca 0.00 0.66 -0.17 0.00 -0.44 0.00 0.00 54.58 54.63 2f3i n ASN 130 Cb 0.00 -0.72 -0.14 0.00 -2.53 0.00 0.00 39.78 36.39 2f3i n ASN 130 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 2f3i h ASN 131 N 0.00 0.38 0.63 0.53 4.21 -1.23 -3.27 115.58 116.84 2f3i h ASN 131 Ca 0.00 -0.58 -0.13 0.00 1.21 0.00 0.00 56.30 56.80 2f3i h ASN 131 Cb 0.04 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 2f3i h ASN 131 CO 0.00 1.49 -0.63 0.25 -1.29 0.00 0.00 177.43 177.25 2f3i h LEU 132 N 0.07 0.00 -1.39 1.61 6.46 -1.13 -3.46 115.31 117.46 2f3i h LEU 132 Ca -0.28 0.00 -0.43 0.00 -0.12 0.00 0.00 57.88 57.05 2f3i h LEU 132 Cb 2.03 0.00 0.04 0.00 -0.73 0.00 0.00 40.66 42.00 2f3i h LEU 132 CO 0.15 0.63 -0.78 1.57 -0.62 0.00 0.00 178.44 179.38 2f3i n HIS 133 N -3.79 -2.18 -2.92 1.25 -0.00 -0.11 -4.93 115.22 102.53 2f3i n HIS 133 Ca -0.01 0.89 -0.14 0.00 0.46 0.00 0.00 57.72 58.92 2f3i n HIS 133 Cb 0.63 -4.40 0.01 0.00 -0.12 0.00 0.00 29.99 26.11 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 -1.62 1.25 0.00 1.57 0.00 -1.26 -4.82 105.19 100.30 2f3i n GLY 134 Ca -0.15 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.39 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 1.37 0.00 -4.41 1.61 1.16 -1.26 -4.63 117.46 111.30 2f3i n PHE 135 Ca 0.14 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.51 2f3i n PHE 135 Cb 0.60 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.34 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 -2.00 1.02 0.00 3.97 2.02 -1.26 -4.99 118.70 117.45 2f3i s GLU 136 Ca 0.21 -0.78 0.10 0.00 0.02 0.00 0.00 54.97 54.52 2f3i s GLU 136 Cb 0.10 -1.04 0.58 0.00 0.10 0.00 0.00 34.13 33.87 2f3i s GLU 136 CO 0.16 0.26 1.07 1.33 0.02 0.00 0.00 175.26 178.10 2f3i n VAL 137 N 1.93 0.14 -0.73 2.63 0.24 -1.26 -1.04 118.33 120.24 2f3i n VAL 137 Ca -0.18 0.04 0.05 0.00 -2.04 0.00 0.00 64.34 62.20 2f3i n VAL 137 Cb 0.54 -0.88 0.06 0.00 -1.47 0.00 0.00 33.84 32.10 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 -1.05 1.84 0.00 -1.34 2.03 -1.26 -3.31 116.55 113.46 2f3i n ASP 138 Ca 0.07 -2.42 0.00 0.00 0.52 0.00 0.00 54.79 52.96 2f3i n ASP 138 Cb 0.04 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 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 -0.85 0.00 -0.37 1.67 7.64 -0.21 -0.52 113.62 120.99 2f3i n SER 139 Ca 0.07 0.45 0.01 0.00 1.01 0.00 0.00 58.87 60.41 2f3i n SER 139 Cb 0.48 -0.48 0.03 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.95 1.22 0.06 1.43 1.85 -1.26 -2.59 116.66 115.43 2f3i n ARG 140 Ca 0.00 -0.23 0.10 0.00 -1.00 0.00 0.00 57.85 56.72 2f3i n ARG 140 Cb 0.00 -1.31 0.41 0.00 -1.05 0.00 0.00 32.46 30.51 2f3i n ARG 140 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2f3i n VAL 141 N -0.13 0.85 -3.88 8.89 0.24 -1.26 -4.25 118.33 118.79 2f3i n VAL 141 Ca 0.02 0.20 -0.36 0.00 -2.04 0.00 0.00 64.34 62.17 2f3i n VAL 141 Cb 0.19 -1.02 -0.13 0.00 -1.47 0.00 0.00 33.84 31.40 2f3i n VAL 141 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2f3i s TYR 142 N -3.14 3.02 -0.03 6.34 2.02 -1.07 -1.01 117.35 123.48 2f3i s TYR 142 Ca 0.06 -0.67 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 2f3i s TYR 142 Cb 0.10 -2.15 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2f3i s TYR 142 CO 0.35 -0.43 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.72 2f3i s LEU 143 N 1.45 1.27 -0.04 -1.29 1.98 -0.57 -4.81 118.68 116.68 2f3i s LEU 143 Ca 0.05 -0.06 0.06 0.00 -2.89 0.00 0.00 54.13 51.30 2f3i s LEU 143 Cb -0.15 -0.28 -0.02 0.00 0.66 0.00 0.00 46.19 46.40 2f3i s LEU 143 CO 0.00 -0.08 -0.22 -0.22 -1.89 0.00 0.00 176.35 173.95 2f3i s LEU 144 N 0.91 2.30 0.11 -0.68 0.20 -0.49 -1.12 118.68 119.91 2f3i s LEU 144 Ca -0.10 -0.37 -0.06 0.00 0.69 0.00 0.00 54.13 54.28 2f3i s LEU 144 Cb -0.13 -1.42 -0.02 0.00 -0.43 0.00 0.00 46.19 44.19 2f3i s LEU 144 CO -0.01 0.32 0.15 0.00 -0.29 0.00 0.00 176.35 176.52 2f3i s MET 145 N -0.60 0.89 0.21 1.98 0.23 0.15 -1.03 119.30 121.13 2f3i s MET 145 Ca 0.09 -1.13 -0.14 0.00 -1.03 0.00 0.00 55.69 53.48 2f3i s MET 145 Cb -0.11 0.31 0.01 0.00 -1.53 0.00 0.00 34.83 33.52 2f3i s MET 145 CO -0.00 -0.28 0.46 0.15 -2.03 0.00 0.00 175.02 173.33 2f3i s LYS 146 N -3.93 1.40 0.93 3.16 1.02 0.38 -0.91 119.74 121.79 2f3i s LYS 146 Ca 0.11 -1.06 -0.12 0.00 0.02 0.00 0.00 55.97 54.92 2f3i s LYS 146 Cb 0.05 0.48 0.15 0.00 -0.52 0.00 0.00 37.83 37.99 2f3i s LYS 146 CO -0.06 -0.58 1.10 -1.59 -0.92 0.00 0.00 175.35 173.30 2f3i s LYS 147 N -3.94 0.97 0.85 1.68 -2.85 -1.26 -1.32 119.74 113.87 2f3i s LYS 147 Ca 0.15 0.59 -0.13 0.00 -1.00 0.00 0.00 55.97 55.58 2f3i s LYS 147 Cb -0.00 -1.79 0.08 0.00 -2.06 0.00 0.00 37.83 34.06 2f3i s LYS 147 CO 0.02 -2.38 1.04 1.47 0.10 0.00 0.00 175.35 175.60 2f3i n LEU 148 N -3.94 3.31 -3.68 2.77 -0.00 -1.26 -4.41 117.00 109.78 2f3i n LEU 148 Ca 0.06 0.51 -0.12 0.00 -0.00 0.00 0.00 56.01 56.46 2f3i n LEU 148 Cb 0.57 -1.44 -0.13 0.00 -0.00 0.00 0.00 43.42 42.42 2f3i n LEU 148 CO 0.57 -2.16 -0.10 0.00 -0.00 0.00 0.00 177.39 175.70 2f3i s ALA 149 N -2.27 -0.66 0.00 1.47 0.00 -1.26 -5.05 121.76 113.98 2f3i s ALA 149 Ca 0.69 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2f3i s ALA 149 Cb -0.27 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 21.90 2f3i s ALA 149 CO 0.55 -0.51 0.00 1.19 0.00 0.00 0.00 175.76 176.99