#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1f s SER 2 N 0.00 -0.38 0.25 1.61 0.01 -1.26 -5.17 113.70 108.76 1x1f s SER 2 Ca 0.00 -0.02 0.05 0.00 1.31 0.00 0.00 55.95 57.29 1x1f s SER 2 Cb 0.00 1.01 -0.05 0.00 0.21 0.00 0.00 66.02 67.19 1x1f s SER 2 CO 0.00 -0.06 -0.04 -0.94 0.41 0.00 0.00 173.24 172.61 1x1f s SER 3 N 2.67 2.31 0.00 2.44 1.04 -1.26 -5.04 113.70 115.87 1x1f s SER 3 Ca 0.24 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1x1f s SER 3 Cb -0.00 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1x1f s SER 3 CO -0.20 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1x1f n GLY 4 N -0.48 0.54 2.85 7.32 0.00 -1.26 -5.16 105.19 109.01 1x1f n GLY 4 Ca -0.06 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 1x1f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1f s SER 5 N 0.00 1.16 0.09 1.61 0.01 -1.26 -5.02 113.70 110.30 1x1f s SER 5 Ca 0.00 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1x1f s SER 5 Cb 0.00 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.78 1x1f s SER 5 CO 0.00 -0.10 0.00 -0.24 0.41 0.00 0.00 173.24 173.31 1x1f n SER 6 N 4.41 0.78 -0.43 2.44 2.88 -1.26 -5.14 113.62 117.30 1x1f n SER 6 Ca -0.19 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1x1f n SER 6 Cb 0.51 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1x1f n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1f n GLY 7 N 3.20 -0.71 2.91 0.46 0.00 -1.26 -5.06 105.19 104.72 1x1f n GLY 7 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 1x1f n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x1f s GLN 8 N -0.24 1.69 -0.43 1.61 -0.21 -1.26 -5.06 119.66 115.76 1x1f s GLN 8 Ca 0.00 -2.29 -0.41 0.00 0.02 0.00 0.00 55.36 52.67 1x1f s GLN 8 Cb 0.00 -3.05 -0.16 0.00 1.00 0.00 0.00 33.01 30.80 1x1f s GLN 8 CO 0.00 -1.08 2.03 0.39 -2.12 0.00 0.00 175.29 174.51 1x1f n GLU 9 N 3.49 0.46 -2.15 2.91 4.71 -1.26 -4.78 120.64 124.02 1x1f n GLU 9 Ca 0.05 0.14 -0.40 0.00 -0.01 0.00 0.00 57.16 56.94 1x1f n GLU 9 Cb 0.35 -1.85 -0.03 0.00 -1.01 0.00 0.00 31.44 28.90 1x1f n GLU 9 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1x1f s ARG 10 N 5.35 2.88 0.21 3.49 3.00 -1.26 -4.97 118.95 127.65 1x1f s ARG 10 Ca 1.12 0.59 -0.24 0.00 0.00 0.00 0.00 55.73 57.21 1x1f s ARG 10 Cb -1.26 -4.30 -0.08 0.00 0.00 0.00 0.00 34.95 29.31 1x1f s ARG 10 CO 0.63 -2.44 0.79 -0.51 0.00 0.00 0.00 175.30 173.77 1x1f s LEU 11 N 7.98 4.47 -0.09 2.53 1.43 -1.26 -5.07 118.68 128.67 1x1f s LEU 11 Ca 0.63 1.61 -0.07 0.00 -1.03 0.00 0.00 54.13 55.26 1x1f s LEU 11 Cb -0.13 -3.52 0.03 0.00 0.03 0.00 0.00 46.19 42.60 1x1f s LEU 11 CO 0.22 0.10 0.23 -1.59 0.23 0.00 0.00 176.35 175.55 1x1f s LYS 12 N -1.58 0.26 0.43 1.70 -2.85 -1.26 -5.10 119.74 111.35 1x1f s LYS 12 Ca 0.41 0.34 0.00 0.00 -1.00 0.00 0.00 55.97 55.72 1x1f s LYS 12 Cb -0.20 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.66 1x1f s LYS 12 CO 0.24 -0.05 0.00 -0.89 0.10 0.00 0.00 175.35 174.75 1x1f n ILE 13 N 3.14 -3.97 -3.64 3.79 -0.00 -1.26 -5.06 119.36 112.36 1x1f n ILE 13 Ca -0.14 1.76 -0.08 0.00 -0.00 0.00 0.00 62.75 64.28 1x1f n ILE 13 Cb 0.58 -2.50 -0.07 0.00 -0.00 0.00 0.00 39.64 37.65 1x1f n ILE 13 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1x1f s THR 14 N -3.62 0.00 -0.60 1.39 2.01 -1.26 -5.11 115.64 108.44 1x1f s THR 14 Ca 0.00 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.72 1x1f s THR 14 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1x1f s THR 14 CO 0.00 0.00 1.29 0.00 -0.69 0.00 0.00 174.62 175.22 1x1f s ALA 15 N 1.46 2.88 -0.15 7.40 0.00 -1.26 -4.95 121.76 127.14 1x1f s ALA 15 Ca -0.09 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 1x1f s ALA 15 Cb -0.05 -4.11 0.07 0.00 0.00 0.00 0.00 23.12 19.04 1x1f s ALA 15 CO -0.17 -2.89 0.20 -0.51 0.00 0.00 0.00 175.76 172.39 1x1f s LEU 16 N 5.53 -0.10 -0.38 0.00 1.43 -1.26 -5.04 118.68 118.86 1x1f s LEU 16 Ca 0.45 0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 1x1f s LEU 16 Cb -0.09 0.36 0.01 0.00 0.03 0.00 0.00 46.19 46.50 1x1f s LEU 16 CO 0.23 -0.29 1.39 -2.16 0.23 0.00 0.00 176.35 175.76 1x1f s PRO 17 N 2.32 3.67 0.28 1.29 0.04 -1.26 -4.90 135.00 136.43 1x1f s PRO 17 Ca 0.04 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 1x1f s PRO 17 Cb -0.14 -3.99 -0.13 0.00 0.04 0.00 0.00 34.50 30.29 1x1f s PRO 17 CO -0.09 -1.45 1.45 -0.11 0.04 0.00 0.00 177.00 176.84 1x1f n LEU 18 N 8.51 3.59 -0.02 -3.56 -0.00 -1.26 -4.03 117.00 120.23 1x1f n LEU 18 Ca 0.16 1.16 -0.01 0.00 -0.00 0.00 0.00 56.01 57.32 1x1f n LEU 18 Cb 0.48 -1.49 -0.05 0.00 -0.00 0.00 0.00 43.42 42.36 1x1f n LEU 18 CO 0.68 -0.28 -0.65 -1.22 -0.00 0.00 0.00 177.39 175.92 1x1f n TYR 19 N 1.67 0.00 -3.64 1.96 4.01 -0.42 -5.03 117.16 115.72 1x1f n TYR 19 Ca 0.09 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.79 1x1f n TYR 19 Cb 0.34 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 1x1f n TYR 19 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1x1f s PHE 20 N -2.26 -0.14 -0.05 -0.72 5.36 -1.22 -5.00 117.98 113.94 1x1f s PHE 20 Ca -0.03 0.31 -0.04 0.00 -0.96 0.00 0.00 56.93 56.21 1x1f s PHE 20 Cb 0.03 0.47 0.01 0.00 -0.34 0.00 0.00 43.02 43.19 1x1f s PHE 20 CO 0.26 -0.09 0.13 -1.83 -1.46 0.00 0.00 175.22 172.22 1x1f s GLU 21 N -0.38 0.15 0.00 10.12 1.03 -1.26 0.95 118.70 129.31 1x1f s GLU 21 Ca 0.06 0.17 0.00 0.00 0.03 0.00 0.00 54.97 55.23 1x1f s GLU 21 Cb -0.03 0.07 0.00 0.00 -0.80 0.00 0.00 34.13 33.37 1x1f s GLU 21 CO -0.10 -0.02 0.00 0.41 -1.33 0.00 0.00 175.26 174.22 1x1f n GLY 22 N 2.99 1.24 3.07 -3.83 0.00 -0.84 -5.04 105.19 102.78 1x1f n GLY 22 Ca -0.12 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 1x1f n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x1f n PHE 23 N 0.00 0.44 -3.94 1.61 3.72 -1.26 -4.06 117.46 113.96 1x1f n PHE 23 Ca 0.00 0.30 -0.31 0.00 -0.05 0.00 0.00 57.45 57.39 1x1f n PHE 23 Cb 0.00 -1.91 -0.04 0.00 -0.94 0.00 0.00 39.48 36.59 1x1f n PHE 23 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1x1f s LEU 24 N 7.03 4.26 -0.23 4.37 2.96 -0.90 -4.81 118.68 131.36 1x1f s LEU 24 Ca 1.19 0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 55.22 1x1f s LEU 24 Cb -1.06 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 42.71 1x1f s LEU 24 CO 0.44 0.17 0.12 -0.76 -1.32 0.00 0.00 176.35 175.00 1x1f s LEU 25 N -2.50 3.92 -0.08 -0.68 1.43 -0.17 -3.12 118.68 117.49 1x1f s LEU 25 Ca 0.34 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 1x1f s LEU 25 Cb -0.13 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1x1f s LEU 25 CO 0.27 0.07 -0.12 -0.63 0.23 0.00 0.00 176.35 176.17 1x1f s ILE 26 N 1.04 3.27 -0.38 -0.59 -1.09 -1.18 -1.86 121.20 120.41 1x1f s ILE 26 Ca 0.06 -0.63 0.10 0.00 -2.23 0.00 0.00 60.65 57.96 1x1f s ILE 26 Cb -0.14 -2.33 0.31 0.00 -1.58 0.00 0.00 42.46 38.73 1x1f s ILE 26 CO 0.04 0.57 0.66 1.17 -1.23 0.00 0.00 174.94 176.16 1x1f n LYS 27 N 2.61 0.88 -0.34 2.79 4.81 -1.20 -2.50 118.16 125.21 1x1f n LYS 27 Ca -0.18 -3.28 -0.29 0.00 -0.87 0.00 0.00 58.31 53.69 1x1f n LYS 27 Cb 0.52 -1.52 0.28 0.00 0.02 0.00 0.00 35.03 34.34 1x1f n LYS 27 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1x1f s ARG 28 N -1.90 -2.36 -0.83 1.64 0.52 -1.26 -3.92 118.95 110.84 1x1f s ARG 28 Ca 0.38 0.47 -0.25 0.00 -0.52 0.00 0.00 55.73 55.81 1x1f s ARG 28 Cb 0.28 -1.41 -0.08 0.00 0.52 0.00 0.00 34.95 34.25 1x1f s ARG 28 CO -0.09 -4.58 2.15 -1.12 0.02 0.00 0.00 175.30 171.68 1x1f s SER 29 N -2.73 4.59 0.00 0.23 0.01 -1.26 -1.94 113.70 112.60 1x1f s SER 29 Ca 0.69 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1x1f s SER 29 Cb -0.19 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1x1f s SER 29 CO 0.62 -3.21 0.00 0.61 0.41 0.00 0.00 173.24 171.67 1x1f n GLY 30 N 6.75 3.28 3.71 3.44 0.00 -1.26 -5.11 105.19 115.99 1x1f n GLY 30 Ca 0.42 -0.46 -0.61 0.00 0.00 0.00 0.00 46.02 45.37 1x1f n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x1f n TYR 31 N 0.00 1.84 0.28 1.61 4.02 -0.82 -4.78 117.16 119.31 1x1f n TYR 31 Ca 0.00 0.81 0.15 0.00 -0.01 0.00 0.00 57.90 58.85 1x1f n TYR 31 Cb 0.00 -2.34 0.85 0.00 -0.02 0.00 0.00 39.34 37.83 1x1f n TYR 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x1f h ARG 32 N 5.98 0.00 -1.26 -0.72 2.47 -1.97 -3.45 114.38 115.43 1x1f h ARG 32 Ca -0.46 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 58.44 1x1f h ARG 32 Cb 1.35 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.41 1x1f h ARG 32 CO 0.94 0.06 0.80 -1.83 0.56 0.00 0.00 179.97 180.50 1x1f s GLU 33 N -4.33 0.27 -0.06 0.04 -1.05 -1.26 -5.13 118.70 107.18 1x1f s GLU 33 Ca -0.04 0.06 -0.40 0.00 -0.15 0.00 0.00 54.97 54.45 1x1f s GLU 33 Cb 0.14 0.13 -0.18 0.00 -0.44 0.00 0.00 34.13 33.77 1x1f s GLU 33 CO 0.55 -0.09 1.33 0.66 0.95 0.00 0.00 175.26 178.66 1x1f n TYR 34 N 0.58 1.30 -4.01 4.83 4.01 -1.26 -4.89 117.16 117.72 1x1f n TYR 34 Ca -0.04 0.84 -0.31 0.00 -0.16 0.00 0.00 57.90 58.23 1x1f n TYR 34 Cb 0.58 -2.25 -0.06 0.00 -0.31 0.00 0.00 39.34 37.31 1x1f n TYR 34 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1x1f s GLU 35 N 1.01 3.08 -0.52 -0.72 0.41 -1.04 -4.92 118.70 115.99 1x1f s GLU 35 Ca 0.91 -0.60 -0.17 0.00 -0.41 0.00 0.00 54.97 54.70 1x1f s GLU 35 Cb -1.15 -2.84 0.08 0.00 -1.78 0.00 0.00 34.13 28.45 1x1f s GLU 35 CO 0.57 0.58 0.55 -1.58 -0.49 0.00 0.00 175.26 174.89 1x1f s HIS 36 N -1.42 3.13 0.06 1.61 5.65 -1.26 -3.13 115.29 119.93 1x1f s HIS 36 Ca 0.31 -0.85 0.05 0.00 0.25 0.00 0.00 55.06 54.82 1x1f s HIS 36 Cb -0.12 -3.55 -0.03 0.00 -1.18 0.00 0.00 32.58 27.70 1x1f s HIS 36 CO 0.24 -1.01 -0.14 0.71 -0.65 0.00 0.00 174.74 173.89 1x1f s TYR 37 N 2.17 1.23 -0.91 3.88 2.02 -1.18 -4.98 117.35 119.57 1x1f s TYR 37 Ca 0.09 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.14 1x1f s TYR 37 Cb -0.23 -0.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.60 1x1f s TYR 37 CO 0.08 0.05 1.79 -0.46 -1.57 0.00 0.00 175.55 175.44 1x1f s TRP 38 N -1.08 2.01 0.09 2.71 -0.11 0.47 -2.12 118.94 120.91 1x1f s TRP 38 Ca -0.00 0.22 -0.24 0.00 1.22 0.00 0.00 56.10 57.29 1x1f s TRP 38 Cb -0.09 -4.24 -0.07 0.00 -1.50 0.00 0.00 33.47 27.57 1x1f s TRP 38 CO 0.02 -1.84 0.75 0.99 -4.62 0.00 0.00 176.95 172.24 1x1f s THR 39 N 8.51 4.60 -0.03 5.86 2.01 -1.26 0.23 115.64 135.56 1x1f s THR 39 Ca 0.62 1.61 0.02 0.00 0.31 0.00 0.00 61.69 64.25 1x1f s THR 39 Cb -0.05 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1x1f s THR 39 CO -0.02 0.44 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.68 1x1f s GLU 40 N -0.57 0.85 -0.32 4.92 2.02 0.83 -1.98 118.70 124.44 1x1f s GLU 40 Ca 0.36 -0.20 -0.20 0.00 0.02 0.00 0.00 54.97 54.95 1x1f s GLU 40 Cb -0.21 -0.81 -0.01 0.00 0.10 0.00 0.00 34.13 33.20 1x1f s GLU 40 CO 0.24 0.03 0.62 -1.17 0.02 0.00 0.00 175.26 174.99 1x1f s LEU 41 N 0.47 4.19 -0.05 1.80 0.20 0.27 -1.83 118.68 123.73 1x1f s LEU 41 Ca -0.07 0.30 0.00 0.00 0.69 0.00 0.00 54.13 55.05 1x1f s LEU 41 Cb -0.10 -2.78 0.02 0.00 -0.43 0.00 0.00 46.19 42.90 1x1f s LEU 41 CO 0.00 -0.51 -0.03 -0.13 -0.29 0.00 0.00 176.35 175.40 1x1f s ARG 42 N 2.61 0.74 3.85 1.98 0.52 -1.23 -1.30 118.95 126.12 1x1f s ARG 42 Ca 0.24 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 1x1f s ARG 42 Cb -0.15 -0.85 0.00 0.00 0.52 0.00 0.00 34.95 34.47 1x1f s ARG 42 CO 0.13 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1x1f n GLY 43 N 4.35 0.77 0.23 -3.53 0.00 -1.26 -1.11 105.19 104.65 1x1f n GLY 43 Ca -0.20 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1x1f n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x1f n THR 44 N 0.00 0.09 -4.50 2.61 -2.24 -1.26 -4.91 114.28 104.08 1x1f n THR 44 Ca 0.00 -0.11 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 1x1f n THR 44 Cb 0.00 0.71 -0.17 0.00 -2.10 0.00 0.00 70.33 68.78 1x1f n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x1f s THR 45 N -0.13 1.63 -0.05 4.28 2.01 -0.27 -3.18 115.64 119.94 1x1f s THR 45 Ca 0.01 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 1x1f s THR 45 Cb 0.01 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1x1f s THR 45 CO 0.00 0.47 1.17 -0.76 -0.69 0.00 0.00 174.62 174.81 1x1f s LEU 46 N 0.96 4.28 -0.21 4.42 1.43 -0.72 -3.47 118.68 125.37 1x1f s LEU 46 Ca -0.06 1.79 -0.02 0.00 -1.03 0.00 0.00 54.13 54.80 1x1f s LEU 46 Cb -0.15 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1x1f s LEU 46 CO -0.02 -0.55 -0.09 -0.36 0.23 0.00 0.00 176.35 175.56 1x1f s PHE 47 N 2.08 2.91 -0.13 0.29 0.08 -0.76 0.13 117.98 122.56 1x1f s PHE 47 Ca 0.55 -1.15 -0.07 0.00 0.12 0.00 0.00 56.93 56.39 1x1f s PHE 47 Cb -0.24 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 1x1f s PHE 47 CO 0.22 -0.62 0.11 -0.06 -0.10 0.00 0.00 175.22 174.77 1x1f s PHE 48 N 1.42 3.49 0.25 0.36 0.08 0.24 -0.12 117.98 123.70 1x1f s PHE 48 Ca 0.06 0.42 0.04 0.00 0.12 0.00 0.00 56.93 57.56 1x1f s PHE 48 Cb -0.14 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.29 1x1f s PHE 48 CO -0.06 0.59 0.01 0.71 -0.10 0.00 0.00 175.22 176.37 1x1f s TYR 49 N -0.67 1.65 -0.16 0.36 2.02 0.14 -0.75 117.35 119.93 1x1f s TYR 49 Ca 0.13 -0.94 0.14 0.00 -0.37 0.00 0.00 57.07 56.02 1x1f s TYR 49 Cb -0.12 -0.98 -0.24 0.00 -0.40 0.00 0.00 41.96 40.23 1x1f s TYR 49 CO 0.02 -0.04 0.20 0.25 -1.57 0.00 0.00 175.55 174.41 1x1f n THR 50 N -0.48 1.48 -3.84 -0.71 -2.24 -1.26 0.18 114.28 107.40 1x1f n THR 50 Ca -0.04 -0.80 -0.08 0.00 -2.27 0.00 0.00 64.05 60.86 1x1f n THR 50 Cb 0.65 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1x1f n THR 50 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x1f s ASP 51 N -5.83 -0.07 0.39 3.42 1.01 -1.26 -4.58 116.67 109.74 1x1f s ASP 51 Ca -0.12 -0.94 0.20 0.00 0.71 0.00 0.00 52.55 52.40 1x1f s ASP 51 Cb 0.07 0.79 0.26 0.00 1.01 0.00 0.00 42.92 45.05 1x1f s ASP 51 CO 0.80 -1.53 1.56 0.07 0.21 0.00 0.00 175.17 176.27 1x1f h LYS 52 N 2.01 0.00 0.00 8.23 2.10 -1.98 -2.97 116.57 123.96 1x1f h LYS 52 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1x1f h LYS 52 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1x1f h LYS 52 CO 0.34 0.16 0.00 0.87 -2.00 0.00 0.00 179.45 178.82 1x1f h LYS 53 N 0.00 0.00 -6.65 0.07 1.79 -2.03 -3.44 116.57 106.31 1x1f h LYS 53 Ca -0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1x1f h LYS 53 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1x1f h LYS 53 CO 0.02 0.00 0.47 -1.12 -1.08 0.00 0.00 179.45 177.74 1x1f s SER 54 N -5.71 7.28 -0.23 0.86 0.01 -1.12 -4.95 113.70 109.83 1x1f s SER 54 Ca 0.06 2.08 -0.13 0.00 1.31 0.00 0.00 55.95 59.27 1x1f s SER 54 Cb 0.07 -2.60 -0.17 0.00 0.21 0.00 0.00 66.02 63.53 1x1f s SER 54 CO 0.61 -0.21 -0.07 -0.38 0.41 0.00 0.00 173.24 173.59 1x1f n ILE 55 N 2.39 1.56 -3.18 1.44 2.08 -1.26 -4.89 119.36 117.49 1x1f n ILE 55 Ca 0.03 -0.34 -0.39 0.00 0.56 0.00 0.00 62.75 62.61 1x1f n ILE 55 Cb 0.46 -1.84 -0.06 0.00 -0.75 0.00 0.00 39.64 37.46 1x1f n ILE 55 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1x1f s ILE 56 N -2.47 4.92 0.08 1.39 1.01 -1.26 -5.03 121.20 119.83 1x1f s ILE 56 Ca -0.33 1.27 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 1x1f s ILE 56 Cb 0.10 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 1x1f s ILE 56 CO 0.57 0.40 1.19 -0.72 0.00 0.00 0.00 174.94 176.38 1x1f s TYR 57 N -0.08 3.45 0.35 3.97 -0.85 -1.26 -4.83 117.35 118.10 1x1f s TYR 57 Ca 0.32 1.33 0.09 0.00 -0.52 0.00 0.00 57.07 58.29 1x1f s TYR 57 Cb -0.18 -3.41 0.81 0.00 0.38 0.00 0.00 41.96 39.56 1x1f s TYR 57 CO 0.17 -1.22 1.84 -0.24 -1.52 0.00 0.00 175.55 174.58 1x1f h VAL 58 N 4.38 0.79 -2.32 -3.49 3.04 -1.27 -3.44 116.25 113.93 1x1f h VAL 58 Ca -0.42 -0.24 0.04 0.00 -1.01 0.00 0.00 66.70 65.07 1x1f h VAL 58 Cb 1.21 0.03 -0.16 0.00 -2.01 0.00 0.00 31.29 30.36 1x1f h VAL 58 CO 0.80 0.13 0.38 -0.62 -1.01 0.00 0.00 177.57 177.24 1x1f s ASP 59 N -5.65 -0.47 0.16 3.17 -1.08 -1.12 -5.04 116.67 106.64 1x1f s ASP 59 Ca -0.10 0.17 0.01 0.00 -0.52 0.00 0.00 52.55 52.11 1x1f s ASP 59 Cb 0.23 0.45 -0.04 0.00 -1.46 0.00 0.00 42.92 42.10 1x1f s ASP 59 CO 0.79 -0.67 0.02 -1.59 0.52 0.00 0.00 175.17 174.24 1x1f s LYS 60 N -2.69 1.06 0.36 4.34 -2.85 -1.26 0.80 119.74 119.50 1x1f s LYS 60 Ca 0.00 -1.51 0.06 0.00 -1.00 0.00 0.00 55.97 53.52 1x1f s LYS 60 Cb -0.01 -0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.62 1x1f s LYS 60 CO -0.06 -0.17 0.22 -0.51 0.10 0.00 0.00 175.35 174.93 1x1f s LEU 61 N -3.14 1.81 -0.03 2.77 1.43 0.34 -4.96 118.68 116.90 1x1f s LEU 61 Ca 0.24 -1.72 -0.01 0.00 -1.03 0.00 0.00 54.13 51.61 1x1f s LEU 61 Cb 0.07 0.31 0.02 0.00 0.03 0.00 0.00 46.19 46.62 1x1f s LEU 61 CO 0.03 -1.01 0.06 -1.81 0.23 0.00 0.00 176.35 173.86 1x1f s ASP 62 N -3.45 -0.02 -0.02 2.29 1.01 -1.26 -1.76 116.67 113.46 1x1f s ASP 62 Ca 0.34 0.12 0.02 0.00 0.71 0.00 0.00 52.55 53.75 1x1f s ASP 62 Cb 0.02 0.05 0.04 0.00 1.01 0.00 0.00 42.92 44.04 1x1f s ASP 62 CO 0.22 -0.09 0.82 2.30 0.21 0.00 0.00 175.17 178.63 1x1f n ILE 63 N 3.78 0.39 0.17 0.77 -5.35 -1.19 -4.78 119.36 113.16 1x1f n ILE 63 Ca -0.22 -0.44 0.05 0.00 -0.27 0.00 0.00 62.75 61.88 1x1f n ILE 63 Cb 0.54 0.60 0.51 0.00 -1.74 0.00 0.00 39.64 39.56 1x1f n ILE 63 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1x1f h VAL 64 N 3.48 1.09 -0.62 7.28 3.04 -1.84 0.70 116.25 129.39 1x1f h VAL 64 Ca 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1x1f h VAL 64 Cb 1.06 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1x1f h VAL 64 CO 0.00 0.11 0.00 -0.67 -1.01 0.00 0.00 177.57 176.00 1x1f n ASP 65 N -4.42 4.00 -4.58 3.17 -0.08 -1.26 -4.96 116.55 108.42 1x1f n ASP 65 Ca -0.01 -2.17 -0.60 0.00 -1.51 0.00 0.00 54.79 50.49 1x1f n ASP 65 Cb 0.16 -0.47 -0.08 0.00 2.34 0.00 0.00 41.12 43.07 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1x1f n LEU 66 N 1.18 0.64 0.03 -2.67 7.94 0.24 -4.33 117.00 120.02 1x1f n LEU 66 Ca 0.22 1.16 -0.19 0.00 -1.11 0.00 0.00 56.01 56.09 1x1f n LEU 66 Cb 0.68 -0.96 -0.12 0.00 0.53 0.00 0.00 43.42 43.55 1x1f n LEU 66 CO 0.17 -1.46 0.16 0.74 -1.11 0.00 0.00 177.39 175.89 1x1f h THR 67 N 3.65 1.43 -1.91 1.96 2.02 0.68 -3.49 112.91 117.26 1x1f h THR 67 Ca -0.49 -2.25 0.35 0.00 0.77 0.00 0.00 66.41 64.79 1x1f h THR 67 Cb 1.40 2.77 -0.07 0.00 -1.74 0.00 0.00 68.15 70.51 1x1f h THR 67 CO 0.76 0.65 0.86 0.00 0.37 0.00 0.00 175.52 178.17 1x1f s LEU 69 N 0.00 0.96 0.00 0.00 0.20 -1.26 -1.43 118.68 117.15 1x1f s LEU 69 Ca 0.28 -0.08 0.00 0.00 0.69 0.00 0.00 54.13 55.02 1x1f s LEU 69 Cb -0.00 -0.38 0.00 0.00 -0.43 0.00 0.00 46.19 45.38 1x1f s LEU 69 CO -0.02 -0.13 0.00 0.35 -0.29 0.00 0.00 176.35 176.26 1x1f n THR 70 N 4.54 0.00 -4.33 3.68 -2.24 -1.10 -4.96 114.28 109.88 1x1f n THR 70 Ca -0.18 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 1x1f n THR 70 Cb 0.50 -1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 67.58 1x1f n THR 70 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x1f s GLU 71 N -1.16 1.29 -0.09 -0.78 2.02 -1.26 -3.60 118.70 115.12 1x1f s GLU 71 Ca 0.00 -1.62 0.04 0.00 0.02 0.00 0.00 54.97 53.41 1x1f s GLU 71 Cb 0.00 -0.78 0.00 0.00 0.10 0.00 0.00 34.13 33.45 1x1f s GLU 71 CO 0.00 0.01 -0.22 -0.65 0.02 0.00 0.00 175.26 174.42 1x1f s GLN 72 N -3.78 2.77 0.55 1.61 1.11 0.49 -4.81 119.66 117.61 1x1f s GLN 72 Ca 0.24 -0.81 -0.20 0.00 0.01 0.00 0.00 55.36 54.60 1x1f s GLN 72 Cb 0.04 -2.14 -0.06 0.00 -1.01 0.00 0.00 33.01 29.83 1x1f s GLN 72 CO 0.07 0.19 1.05 -1.71 0.01 0.00 0.00 175.29 174.89 1x1f n ASN 73 N 3.48 1.25 0.13 5.90 2.85 -1.26 -4.61 115.26 123.01 1x1f n ASN 73 Ca -0.19 0.89 0.00 0.00 -0.11 0.00 0.00 54.58 55.16 1x1f n ASN 73 Cb 0.53 -1.42 0.00 0.00 1.24 0.00 0.00 39.78 40.13 1x1f n ASN 73 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1x1f n SER 74 N -0.55 -0.30 -1.87 1.20 2.88 -1.26 -5.02 113.62 108.71 1x1f n SER 74 Ca 0.12 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1x1f n SER 74 Cb 0.45 0.49 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 1x1f n SER 74 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1x1f n THR 75 N -3.38-11.33 0.00 2.46 -1.04 -1.26 -4.30 114.28 95.43 1x1f n THR 75 Ca 0.00 2.98 0.00 0.00 -2.04 0.00 0.00 64.05 64.99 1x1f n THR 75 Cb 0.00 -4.88 0.00 0.00 -1.82 0.00 0.00 70.33 63.63 1x1f n THR 75 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1x1f n GLU 76 N 1.51 0.00 -1.69 -2.82 1.02 -1.26 -4.86 120.64 112.53 1x1f n GLU 76 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1x1f n GLU 76 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1x1f n GLU 76 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1x1f s LYS 77 N 0.00 4.13 -0.91 3.49 2.47 -1.26 -4.91 119.74 122.75 1x1f s LYS 77 Ca 0.00 2.62 -0.15 0.00 -1.56 0.00 0.00 55.97 56.88 1x1f s LYS 77 Cb 0.00 -3.65 0.20 0.00 -1.46 0.00 0.00 37.83 32.92 1x1f s LYS 77 CO 0.00 -0.86 0.95 -0.80 0.16 0.00 0.00 175.35 174.80 1x1f s ASN 78 N 2.90 6.81 0.37 1.43 -0.87 -1.26 -4.87 114.94 119.45 1x1f s ASN 78 Ca 0.82 -2.63 -0.03 0.00 -1.57 0.00 0.00 52.86 49.45 1x1f s ASN 78 Cb -0.46 -2.28 0.01 0.00 -0.02 0.00 0.00 41.25 38.51 1x1f s ASN 78 CO 0.37 -0.69 0.53 0.00 -2.57 0.00 0.00 177.10 174.74 1x1f s ALA 80 N -2.78 1.82 -0.13 0.00 0.00 -1.26 -4.81 121.76 114.59 1x1f s ALA 80 Ca 0.29 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1x1f s ALA 80 Cb -0.01 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 22.14 1x1f s ALA 80 CO 0.21 -0.32 0.01 0.15 0.00 0.00 0.00 175.76 175.80 1x1f s LYS 81 N 1.39 0.76 0.03 0.00 1.02 -1.26 -4.22 119.74 117.46 1x1f s LYS 81 Ca 0.03 -0.19 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 1x1f s LYS 81 Cb -0.13 -1.58 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1x1f s LYS 81 CO -0.09 -0.45 -0.02 -0.59 -0.92 0.00 0.00 175.35 173.28 1x1f s PHE 82 N 1.88 0.32 0.02 3.18 -0.12 -1.21 0.18 117.98 122.24 1x1f s PHE 82 Ca 0.02 -0.66 0.03 0.00 -0.05 0.00 0.00 56.93 56.27 1x1f s PHE 82 Cb -0.14 -0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1x1f s PHE 82 CO -0.07 -0.26 -0.03 0.99 -0.05 0.00 0.00 175.22 175.81 1x1f s THR 83 N -2.21 3.94 -0.33 -4.49 2.01 -1.24 -2.30 115.64 111.02 1x1f s THR 83 Ca -0.09 -0.75 -0.19 0.00 0.31 0.00 0.00 61.69 60.97 1x1f s THR 83 Cb -0.04 -2.77 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 1x1f s THR 83 CO -0.04 0.33 0.56 -0.76 -0.69 0.00 0.00 174.62 174.02 1x1f s LEU 84 N -1.67 4.24 -0.24 4.42 2.01 0.14 -2.70 118.68 124.88 1x1f s LEU 84 Ca 0.20 0.18 -0.18 0.00 0.01 0.00 0.00 54.13 54.34 1x1f s LEU 84 Cb -0.11 -2.68 -0.03 0.00 0.01 0.00 0.00 46.19 43.38 1x1f s LEU 84 CO 0.11 -0.47 0.49 -0.69 1.01 0.00 0.00 176.35 176.80 1x1f s VAL 85 N 2.49 5.10 0.20 -1.59 1.01 -0.51 -0.94 120.40 126.15 1x1f s VAL 85 Ca 0.21 0.86 0.09 0.00 0.00 0.00 0.00 61.98 63.15 1x1f s VAL 85 Cb -0.15 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1x1f s VAL 85 CO 0.13 0.14 -0.17 -0.76 0.00 0.00 0.00 175.10 174.43 1x1f s LEU 86 N 1.98 2.51 0.00 3.92 1.43 -1.23 0.13 118.68 127.42 1x1f s LEU 86 Ca 0.21 -0.95 0.24 0.00 -1.03 0.00 0.00 54.13 52.60 1x1f s LEU 86 Cb -0.15 -0.83 1.41 0.00 0.03 0.00 0.00 46.19 46.65 1x1f s LEU 86 CO 0.09 -0.07 1.78 -0.81 0.23 0.00 0.00 176.35 177.57 1x1f n PRO 87 N -0.13 0.75 -0.01 1.29 -0.04 -1.26 -3.62 135.00 131.98 1x1f n PRO 87 Ca -0.10 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.32 1x1f n PRO 87 Cb 0.59 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1x1f n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x1f n LYS 88 N -0.99 0.15 -3.53 0.54 5.02 -1.26 -5.10 118.16 112.99 1x1f n LYS 88 Ca 0.18 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.36 1x1f n LYS 88 Cb 0.08 -0.76 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 1x1f n LYS 88 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x1f s GLU 89 N -2.20 1.02 0.35 1.97 2.12 -1.24 -5.17 118.70 115.55 1x1f s GLU 89 Ca -0.09 0.32 -0.08 0.00 0.36 0.00 0.00 54.97 55.48 1x1f s GLU 89 Cb 0.02 0.48 -0.06 0.00 0.26 0.00 0.00 34.13 34.84 1x1f s GLU 89 CO 0.12 -0.30 0.67 -1.21 -0.54 0.00 0.00 175.26 174.00 1x1f s GLU 90 N -1.05 3.71 0.08 4.30 2.02 -1.26 -3.54 118.70 122.95 1x1f s GLU 90 Ca -0.10 0.25 0.02 0.00 0.02 0.00 0.00 54.97 55.16 1x1f s GLU 90 Cb -0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 1x1f s GLU 90 CO 0.09 0.07 -0.07 0.08 0.02 0.00 0.00 175.26 175.45 1x1f s VAL 91 N -2.25 0.64 -0.05 2.63 1.01 -0.11 -4.54 120.40 117.72 1x1f s VAL 91 Ca 0.48 -1.67 -0.03 0.00 0.00 0.00 0.00 61.98 60.76 1x1f s VAL 91 Cb -0.10 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1x1f s VAL 91 CO 0.31 -0.72 0.11 -1.10 0.00 0.00 0.00 175.10 173.70 1x1f s GLN 92 N -3.13 3.24 -0.05 2.72 -0.21 -1.25 0.25 119.66 121.23 1x1f s GLN 92 Ca 0.05 -0.33 0.01 0.00 0.02 0.00 0.00 55.36 55.11 1x1f s GLN 92 Cb 0.01 -3.00 0.02 0.00 1.00 0.00 0.00 33.01 31.04 1x1f s GLN 92 CO -0.03 0.70 -0.06 -0.51 -2.12 0.00 0.00 175.29 173.27 1x1f s LEU 93 N -1.43 1.31 -0.01 2.90 1.02 -0.97 -3.21 118.68 118.29 1x1f s LEU 93 Ca 0.20 -0.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.17 1x1f s LEU 93 Cb -0.12 -0.53 0.00 0.00 0.02 0.00 0.00 46.19 45.56 1x1f s LEU 93 CO 0.10 -0.05 0.05 -0.75 0.02 0.00 0.00 176.35 175.71 1x1f s LYS 94 N 1.00 0.14 0.00 1.70 2.20 -0.78 -3.31 119.74 120.70 1x1f s LYS 94 Ca -0.10 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 1x1f s LYS 94 Cb -0.14 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1x1f s LYS 94 CO -0.00 -0.02 0.00 0.25 -0.36 0.00 0.00 175.35 175.21 1x1f n THR 95 N 2.65 0.00 -0.02 3.43 -2.24 -1.26 -1.00 114.28 115.84 1x1f n THR 95 Ca -0.15 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.61 1x1f n THR 95 Cb 0.58 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 1x1f n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 96 N 0.00 0.13 -3.75 -0.78 1.02 -1.26 -4.91 120.64 111.09 1x1f n GLU 96 Ca 0.00 0.16 -0.22 0.00 -0.02 0.00 0.00 57.16 57.08 1x1f n GLU 96 Cb 0.00 -0.84 -0.04 0.00 -0.02 0.00 0.00 31.44 30.53 1x1f n GLU 96 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x1f s ASN 97 N -4.36 4.86 0.21 1.62 0.01 -1.26 -4.92 114.94 111.10 1x1f s ASN 97 Ca -0.06 -0.84 -0.08 0.00 -0.71 0.00 0.00 52.86 51.17 1x1f s ASN 97 Cb 0.01 -0.56 0.16 0.00 0.41 0.00 0.00 41.25 41.27 1x1f s ASN 97 CO 0.09 -0.60 1.80 0.00 -1.51 0.00 0.00 177.10 176.89 1x1f h THR 98 N 1.17 1.25 -0.13 1.60 1.03 -1.88 -2.69 112.91 113.27 1x1f h THR 98 Ca -0.42 -0.73 0.03 0.00 -0.01 0.00 0.00 66.41 65.27 1x1f h THR 98 Cb 1.26 0.25 -0.06 0.00 -1.07 0.00 0.00 68.15 68.53 1x1f h THR 98 CO 0.61 0.31 -0.48 -0.33 -0.01 0.00 0.00 175.52 175.63 1x1f h GLU 99 N 1.15 -0.48 -0.11 0.00 4.39 -1.95 0.57 114.58 118.14 1x1f h GLU 99 Ca 0.28 0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.04 1x1f h GLU 99 Cb 0.14 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1x1f h GLU 99 CO -0.03 -0.32 0.21 1.03 -1.16 0.00 0.00 179.01 178.74 1x1f h SER 100 N -0.50 0.00 0.41 1.42 0.87 -1.95 -2.06 113.55 111.73 1x1f h SER 100 Ca 0.03 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1x1f h SER 100 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1x1f h SER 100 CO -0.39 0.00 -0.19 1.23 -0.53 0.00 0.00 176.83 176.95 1x1f h GLY 101 N 0.00 -0.57 0.87 5.77 0.00 0.39 -2.71 103.07 106.83 1x1f h GLY 101 Ca 0.05 0.21 0.13 0.00 0.00 0.00 0.00 47.33 47.72 1x1f h GLY 101 CO -0.00 -0.21 0.44 0.83 0.00 0.00 0.00 176.54 177.60 1x1f h GLU 102 N -0.85 0.00 0.04 4.80 3.07 -0.51 0.29 114.58 121.43 1x1f h GLU 102 Ca -0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1x1f h GLU 102 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1x1f h GLU 102 CO 0.09 0.00 -0.02 0.93 -1.40 0.00 0.00 179.01 178.61 1x1f h GLU 103 N 0.00 -0.05 0.11 2.33 4.39 -1.32 -0.39 114.58 119.64 1x1f h GLU 103 Ca 0.21 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.94 1x1f h GLU 103 Cb 1.09 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.71 1x1f h GLU 103 CO -0.00 -0.04 -0.38 -1.49 -1.16 0.00 0.00 179.01 175.94 1x1f h TRP 104 N -0.06 -1.06 -0.99 4.33 4.06 -1.12 1.41 115.95 122.52 1x1f h TRP 104 Ca -0.01 0.03 0.36 0.00 2.06 0.00 0.00 58.89 61.33 1x1f h TRP 104 Cb 0.04 0.45 -0.17 0.00 -1.00 0.00 0.00 29.16 28.48 1x1f h TRP 104 CO 0.18 -0.48 0.41 -0.09 -3.56 0.00 0.00 178.44 174.90 1x1f h ARG 105 N -0.61 0.07 0.00 0.49 2.43 -1.03 0.89 114.38 116.62 1x1f h ARG 105 Ca 0.03 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1x1f h ARG 105 Cb 0.64 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1x1f h ARG 105 CO -0.23 0.05 -0.00 0.78 -1.51 0.00 0.00 179.97 179.05 1x1f h GLY 106 N 0.07 -0.00 -0.38 2.80 0.00 0.80 -2.49 103.07 103.87 1x1f h GLY 106 Ca 0.75 0.00 0.25 0.00 0.00 0.00 0.00 47.33 48.34 1x1f h GLY 106 CO -0.77 -0.00 0.38 0.74 0.00 0.00 0.00 176.54 176.89 1x1f h PHE 107 N -1.00 0.61 0.56 5.60 0.04 0.33 0.16 116.94 123.23 1x1f h PHE 107 Ca -0.00 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1x1f h PHE 107 Cb 0.29 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.33 1x1f h PHE 107 CO 0.08 -0.14 -0.27 0.82 -0.60 0.00 0.00 178.31 178.20 1x1f h ILE 108 N 0.31 0.13 -1.05 -0.55 5.03 0.61 -1.71 117.51 120.29 1x1f h ILE 108 Ca 0.60 -0.45 0.30 0.00 -0.12 0.00 0.00 64.86 65.20 1x1f h ILE 108 Cb 1.23 0.19 -0.04 0.00 -3.03 0.00 0.00 36.82 35.17 1x1f h ILE 108 CO -0.60 0.02 1.00 -0.07 -0.68 0.00 0.00 178.15 177.82 1x1f h LEU 109 N -1.14 0.00 0.13 1.44 3.38 -0.71 1.62 115.31 120.04 1x1f h LEU 109 Ca -0.08 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.65 1x1f h LEU 109 Cb 0.61 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.39 1x1f h LEU 109 CO 0.13 0.00 -1.05 0.74 0.09 0.00 0.00 178.44 178.35 1x1f h THR 110 N 0.00 1.38 -0.58 0.22 2.02 -0.45 0.64 112.91 116.14 1x1f h THR 110 Ca 0.50 -2.47 -0.31 0.00 0.77 0.00 0.00 66.41 64.91 1x1f h THR 110 Cb 2.48 2.91 -0.18 0.00 -1.74 0.00 0.00 68.15 71.62 1x1f h THR 110 CO -0.01 0.73 0.39 1.33 0.37 0.00 0.00 175.52 178.33 1x1f n VAL 111 N -3.96 2.31 0.00 3.16 0.24 0.54 -2.53 118.33 118.09 1x1f n VAL 111 Ca -0.14 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 1x1f n VAL 111 Cb 0.91 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1x1f n VAL 111 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x1f n THR 112 N -0.43 0.00 1.18 3.34 -2.24 -0.05 -4.70 114.28 111.39 1x1f n THR 112 Ca 0.35 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.26 1x1f n THR 112 Cb 1.16 -0.14 0.40 0.00 -2.10 0.00 0.00 70.33 69.65 1x1f n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 113 N -2.04 0.47 -1.88 -0.78 1.02 0.22 -4.90 120.64 112.75 1x1f n GLU 113 Ca 0.00 -0.24 -0.19 0.00 -0.02 0.00 0.00 57.16 56.71 1x1f n GLU 113 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 1x1f n GLU 113 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1f n LEU 114 N -1.06 -1.52 0.00 -4.62 7.99 -1.05 -4.90 117.00 111.84 1x1f n LEU 114 Ca 0.10 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.40 1x1f n LEU 114 Cb 0.33 -2.68 0.00 0.00 -0.11 0.00 0.00 43.42 40.96 1x1f n LEU 114 CO 0.28 -0.68 0.00 -0.24 -1.51 0.00 0.00 177.39 175.24 1x1f n SER 115 N -1.46 0.08 -3.93 -1.43 2.88 -1.25 -5.05 113.62 103.46 1x1f n SER 115 Ca -0.20 -0.99 -0.27 0.00 -1.33 0.00 0.00 58.87 56.07 1x1f n SER 115 Cb 0.64 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.93 1x1f n SER 115 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x1f s VAL 116 N -1.95 1.15 -0.10 2.46 1.01 -1.26 -4.01 120.40 117.69 1x1f s VAL 116 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1x1f s VAL 116 Cb 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1x1f s VAL 116 CO 0.00 0.39 1.24 -2.16 0.00 0.00 0.00 175.10 174.57 1x1f s PRO 117 N 1.63 4.29 0.02 2.72 0.04 -1.26 -4.89 135.00 137.55 1x1f s PRO 117 Ca 0.04 1.69 0.24 0.00 0.04 0.00 0.00 61.00 63.01 1x1f s PRO 117 Cb -0.13 -3.66 0.27 0.00 0.04 0.00 0.00 34.50 31.02 1x1f s PRO 117 CO -0.08 -0.58 1.23 1.04 0.04 0.00 0.00 177.00 178.65 1x1f n GLN 118 N 5.89 0.10 -2.36 4.56 6.02 -1.26 -4.40 117.38 125.93 1x1f n GLN 118 Ca 0.12 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.71 1x1f n GLN 118 Cb 0.45 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x1f n ASN 119 N -1.67 6.84 -4.32 1.08 3.02 -1.26 -4.92 115.26 114.03 1x1f n ASN 119 Ca 0.04 -3.27 -0.16 0.00 -0.03 0.00 0.00 54.58 51.16 1x1f n ASN 119 Cb 0.37 -1.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.09 1x1f n ASN 119 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1x1f s VAL 120 N -1.53 0.86 -1.69 2.41 -7.23 -1.26 -5.04 120.40 106.92 1x1f s VAL 120 Ca 0.44 -2.01 0.24 0.00 -1.81 0.00 0.00 61.98 58.83 1x1f s VAL 120 Cb 0.14 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.73 1x1f s VAL 120 CO -0.04 -0.26 1.25 -0.24 -0.31 0.00 0.00 175.10 175.50 1x1f n SER 121 N -0.41 1.40 -3.29 4.85 2.88 -1.26 -4.95 113.62 112.84 1x1f n SER 121 Ca -0.04 -1.11 -0.20 0.00 -1.33 0.00 0.00 58.87 56.19 1x1f n SER 121 Cb 0.64 0.42 0.19 0.00 -0.75 0.00 0.00 64.21 64.72 1x1f n SER 121 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1f n LEU 122 N -0.59 0.00 0.00 2.46 4.32 -1.26 -5.04 117.00 116.89 1x1f n LEU 122 Ca 0.09 -0.58 -0.17 0.00 -0.02 0.00 0.00 56.01 55.33 1x1f n LEU 122 Cb 0.40 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 1x1f n LEU 122 CO 0.30 -2.47 0.05 0.18 -1.22 0.00 0.00 177.39 174.23 1x1f n LEU 123 N 0.00 0.00 0.13 2.23 4.77 -1.26 -4.95 117.00 117.92 1x1f n LEU 123 Ca 0.09 -1.86 0.13 0.00 -0.03 0.00 0.00 56.01 54.34 1x1f n LEU 123 Cb 0.40 -0.04 0.45 0.00 -2.33 0.00 0.00 43.42 41.90 1x1f n LEU 123 CO 0.26 -0.48 0.88 1.55 -1.33 0.00 0.00 177.39 178.27 1x1f h PRO 124 N 0.00 0.00 0.00 3.23 0.13 -1.99 -1.05 132.00 132.32 1x1f h PRO 124 Ca -0.23 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.69 1x1f h PRO 124 Cb 0.83 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 1x1f h PRO 124 CO 0.35 0.00 -1.59 0.41 -0.23 0.00 0.00 178.00 176.94 1x1f n GLY 125 N 0.65 -1.12 0.11 1.56 0.00 -1.26 -3.76 105.19 101.37 1x1f n GLY 125 Ca 0.04 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1x1f n GLY 125 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x1f h GLN 126 N 0.00 0.20 -0.33 1.61 1.08 -1.91 -3.31 115.11 112.46 1x1f h GLN 126 Ca -0.22 -0.35 -0.00 0.00 -1.45 0.00 0.00 58.65 56.63 1x1f h GLN 126 Cb 1.74 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 29.28 1x1f h GLN 126 CO 0.05 1.02 0.19 0.28 -0.95 0.00 0.00 178.83 179.43 1x1f h VAL 127 N 0.06 1.10 -0.57 -0.54 2.07 -1.35 -2.04 116.25 114.97 1x1f h VAL 127 Ca -0.27 -0.23 0.11 0.00 0.82 0.00 0.00 66.70 67.14 1x1f h VAL 127 Cb 2.01 0.65 -0.10 0.00 -1.52 0.00 0.00 31.29 32.32 1x1f h VAL 127 CO 0.14 0.10 -0.10 0.40 0.02 0.00 0.00 177.57 178.13 1x1f h ILE 128 N 0.45 0.46 -0.45 4.57 2.04 -1.65 -0.30 117.51 122.63 1x1f h ILE 128 Ca 0.12 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1x1f h ILE 128 Cb -0.01 0.43 -0.09 0.00 -0.74 0.00 0.00 36.82 36.41 1x1f h ILE 128 CO -0.02 0.01 -0.42 0.11 0.00 0.00 0.00 178.15 177.82 1x1f h LYS 129 N 0.03 -0.29 -0.82 2.37 1.79 -1.54 0.70 116.57 118.82 1x1f h LYS 129 Ca 0.28 0.02 0.20 0.00 -2.18 0.00 0.00 60.65 58.97 1x1f h LYS 129 Cb 0.43 0.07 -0.12 0.00 -1.58 0.00 0.00 32.23 31.03 1x1f h LYS 129 CO -0.55 -0.19 0.23 -0.07 -1.08 0.00 0.00 179.45 177.79 1x1f h LEU 130 N -0.30 0.06 0.41 2.94 3.38 -1.15 1.76 115.31 122.41 1x1f h LEU 130 Ca 0.15 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1x1f h LEU 130 Cb 0.58 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1x1f h LEU 130 CO -0.60 -0.07 -0.20 0.45 0.09 0.00 0.00 178.44 178.11 1x1f h HIS 131 N 0.27 -0.51 0.82 1.13 3.86 0.55 -0.68 115.15 120.59 1x1f h HIS 131 Ca 0.49 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.65 1x1f h HIS 131 Cb 0.91 0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 1x1f h HIS 131 CO -0.25 -0.23 -0.48 0.93 0.86 0.00 0.00 177.93 178.76 1x1f h GLU 132 N -0.71 -1.16 -0.91 2.45 5.08 0.22 -1.32 114.58 118.23 1x1f h GLU 132 Ca -0.06 0.08 0.25 0.00 -1.00 0.00 0.00 59.36 58.63 1x1f h GLU 132 Cb 0.50 0.26 -0.16 0.00 0.50 0.00 0.00 28.75 29.86 1x1f h GLU 132 CO 0.09 -0.78 0.11 0.28 -1.00 0.00 0.00 179.01 177.71 1x1f h VAL 133 N -1.21 0.17 0.00 3.13 2.07 0.25 0.70 116.25 121.37 1x1f h VAL 133 Ca -0.11 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1x1f h VAL 133 Cb 0.96 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1x1f h VAL 133 CO 0.13 0.02 0.00 -0.11 0.02 0.00 0.00 177.57 177.62 1x1f n LEU 134 N -5.37 0.00 -0.38 2.57 7.94 -0.26 -0.82 117.00 120.67 1x1f n LEU 134 Ca 0.21 0.96 0.34 0.00 -1.11 0.00 0.00 56.01 56.41 1x1f n LEU 134 Cb 0.70 -0.46 0.68 0.00 0.53 0.00 0.00 43.42 44.87 1x1f n LEU 134 CO -0.00 -0.46 1.30 -0.33 -1.11 0.00 0.00 177.39 176.79 1x1f h GLU 135 N 0.00 0.11 -0.47 1.96 5.08 -0.07 0.91 114.58 122.11 1x1f h GLU 135 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1x1f h GLU 135 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1x1f h GLU 135 CO 0.00 0.08 0.22 0.00 -1.00 0.00 0.00 179.01 178.30 1x1f h ARG 136 N 0.12 0.68 0.00 2.33 2.47 0.11 -2.68 114.38 117.40 1x1f h ARG 136 Ca 0.65 -0.10 -0.18 0.00 -1.26 0.00 0.00 59.98 59.08 1x1f h ARG 136 Cb 2.27 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 30.44 1x1f h ARG 136 CO -0.14 0.58 -0.87 1.05 0.56 0.00 0.00 179.97 181.15 1x1f h GLU 137 N 0.61 0.00 -0.93 0.04 4.11 0.26 -3.26 114.58 115.41 1x1f h GLU 137 Ca 0.16 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.77 1x1f h GLU 137 Cb 0.14 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 1x1f h GLU 137 CO -0.02 0.85 0.52 0.87 0.07 0.00 0.00 179.01 181.30 1x1f h LYS 138 N 0.00 0.65 0.27 1.06 1.57 0.49 -1.35 116.57 119.26 1x1f h LYS 138 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1x1f h LYS 138 Cb 1.66 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 1x1f h LYS 138 CO 0.11 0.43 -0.21 0.87 -0.57 0.00 0.00 179.45 180.08 1x1f h LYS 139 N 0.67 -0.45 -0.99 3.15 6.56 -1.54 -2.68 116.57 121.29 1x1f h LYS 139 Ca 0.53 0.03 0.19 0.00 -1.06 0.00 0.00 60.65 60.35 1x1f h LYS 139 Cb 0.83 0.10 -0.18 0.00 -0.57 0.00 0.00 32.23 32.40 1x1f h LYS 139 CO -0.39 -0.30 -0.26 0.54 -2.06 0.00 0.00 179.45 176.98 1x1f n ARG 140 N -3.58 -0.11 -0.31 3.15 1.74 -0.80 0.15 116.66 116.90 1x1f n ARG 140 Ca -0.06 1.54 0.15 0.00 -0.77 0.00 0.00 57.85 58.72 1x1f n ARG 140 Cb 0.20 -2.30 0.32 0.00 -1.02 0.00 0.00 32.46 29.65 1x1f n ARG 140 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x1f h ARG 141 N 0.00 0.14 0.00 5.56 2.47 -0.95 -1.59 114.38 120.02 1x1f h ARG 141 Ca 0.46 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.17 1x1f h ARG 141 Cb 0.71 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1x1f h ARG 141 CO -1.02 0.09 0.00 -0.89 0.56 0.00 0.00 179.97 178.72 1x1f n ILE 142 N -5.28 0.00 -0.39 2.04 5.41 0.39 -2.08 119.36 119.45 1x1f n ILE 142 Ca 0.23 0.98 -0.04 0.00 1.00 0.00 0.00 62.75 64.93 1x1f n ILE 142 Cb 0.75 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x1f n GLU 143 N -0.86 -0.28 0.00 0.38 1.02 -0.93 -4.67 120.64 115.30 1x1f n GLU 143 Ca 0.00 1.50 0.00 0.00 -0.02 0.00 0.00 57.16 58.64 1x1f n GLU 143 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 1x1f n GLU 143 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x1f n SER 144 N -5.38 0.00 0.00 1.62 2.88 -0.64 -4.86 113.62 107.23 1x1f n SER 144 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1x1f n SER 144 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1x1f n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1f n GLY 145 N 0.00 -1.46 3.62 0.46 0.00 -1.26 -4.85 105.19 101.70 1x1f n GLY 145 Ca 0.00 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 1x1f n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1f s PRO 146 N 0.00 3.74 0.38 1.61 0.04 -1.26 -4.81 135.00 134.70 1x1f s PRO 146 Ca 0.00 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1x1f s PRO 146 Cb 0.00 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1x1f s PRO 146 CO 0.00 -1.35 0.00 0.43 0.04 0.00 0.00 177.00 176.12 1x1f n SER 147 N 8.26 -6.96 0.00 6.66 7.64 -1.26 -5.03 113.62 122.92 1x1f n SER 147 Ca 0.16 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1x1f n SER 147 Cb 0.47 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 1x1f n SER 147 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x1f n SER 148 N -4.29 0.00 0.00 6.43 7.64 -1.26 -5.02 113.62 117.12 1x1f n SER 148 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1x1f n SER 148 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64