#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 3.34 -0.30 1.61 1.04 -1.26 -5.01 113.70 113.12 1x1f s SER 2 Ca 0.00 -2.95 -0.16 0.00 0.48 0.00 0.00 55.95 53.31 1x1f s SER 2 Cb 0.00 -0.98 0.18 0.00 0.10 0.00 0.00 66.02 65.32 1x1f s SER 2 CO 0.00 -0.21 1.18 -0.55 0.98 0.00 0.00 173.24 174.64 1x1f s SER 3 N -0.04 -0.10 -0.12 7.02 0.15 -1.26 -5.18 113.70 114.17 1x1f s SER 3 Ca 0.23 0.02 -0.33 0.00 0.70 0.00 0.00 55.95 56.57 1x1f s SER 3 Cb -0.14 1.07 0.14 0.00 -1.71 0.00 0.00 66.02 65.39 1x1f s SER 3 CO -0.08 -0.02 1.39 -0.83 1.20 0.00 0.00 173.24 174.90 1x1f s GLY 4 N 2.99 -0.43 0.64 9.45 0.00 -1.26 -5.16 107.32 113.55 1x1f s GLY 4 Ca 0.21 1.10 -0.12 0.00 0.00 0.00 0.00 44.72 45.91 1x1f s GLY 4 CO -0.18 0.26 1.04 -0.56 0.00 0.00 0.00 173.10 173.66 1x1f s SER 5 N -2.80 5.86 -0.08 1.64 0.01 -1.26 -5.01 113.70 112.07 1x1f s SER 5 Ca 0.14 1.57 -0.17 0.00 1.31 0.00 0.00 55.95 58.80 1x1f s SER 5 Cb 0.05 -2.49 -0.13 0.00 0.21 0.00 0.00 66.02 63.66 1x1f s SER 5 CO -0.05 -1.12 0.62 0.28 0.41 0.00 0.00 173.24 173.38 1x1f h SER 6 N -0.25 -0.12 0.00 2.44 0.02 -2.08 -3.49 113.55 110.06 1x1f h SER 6 Ca -0.45 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1x1f h SER 6 Cb 1.20 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1x1f h SER 6 CO 0.59 0.50 0.00 0.61 -1.14 0.00 0.00 176.83 177.39 1x1f n GLY 7 N 1.08 0.95 3.56 -3.77 0.00 -1.26 -4.95 105.19 100.80 1x1f n GLY 7 Ca -0.06 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 1.90 -0.06 1.61 -0.21 -1.26 -5.16 119.66 116.48 1x1f s GLN 8 Ca 0.00 -2.14 -0.04 0.00 0.02 0.00 0.00 55.36 53.20 1x1f s GLN 8 Cb 0.00 -0.96 0.03 0.00 1.00 0.00 0.00 33.01 33.08 1x1f s GLN 8 CO 0.00 -0.33 0.15 -1.83 -2.12 0.00 0.00 175.29 171.16 1x1f s GLU 9 N -3.80 0.12 -0.59 2.91 -1.05 -1.26 -5.10 118.70 109.93 1x1f s GLU 9 Ca 0.25 0.32 0.02 0.00 -0.15 0.00 0.00 54.97 55.41 1x1f s GLU 9 Cb 0.05 -0.09 0.15 0.00 -0.44 0.00 0.00 34.13 33.80 1x1f s GLU 9 CO 0.13 -0.11 0.36 1.03 0.95 0.00 0.00 175.26 177.62 1x1f s ARG 10 N 0.80 2.26 1.26 -4.83 3.00 -1.26 -5.09 118.95 115.09 1x1f s ARG 10 Ca -0.06 -2.75 -0.21 0.00 0.00 0.00 0.00 55.73 52.71 1x1f s ARG 10 Cb -0.08 -3.47 0.32 0.00 0.00 0.00 0.00 34.95 31.72 1x1f s ARG 10 CO -0.04 -1.16 1.07 1.28 0.00 0.00 0.00 175.30 176.45 1x1f n LEU 11 N 2.98 0.00 -4.01 2.53 7.99 -1.26 -5.06 117.00 120.17 1x1f n LEU 11 Ca 0.09 -1.13 -0.21 0.00 -0.01 0.00 0.00 56.01 54.74 1x1f n LEU 11 Cb 0.34 -1.01 -0.16 0.00 -0.11 0.00 0.00 43.42 42.49 1x1f n LEU 11 CO 0.33 -2.25 -0.45 -1.59 -1.51 0.00 0.00 177.39 171.92 1x1f s LYS 12 N -5.44 1.12 0.11 3.23 -2.85 -1.26 -5.10 119.74 109.55 1x1f s LYS 12 Ca 0.71 -0.34 -0.34 0.00 -1.00 0.00 0.00 55.97 55.00 1x1f s LYS 12 Cb -0.08 -1.02 -0.18 0.00 -2.06 0.00 0.00 37.83 34.49 1x1f s LYS 12 CO 0.55 0.11 0.83 1.51 0.10 0.00 0.00 175.35 178.45 1x1f n ILE 13 N 3.38 0.99 -3.20 3.79 3.06 -1.26 -2.23 119.36 123.88 1x1f n ILE 13 Ca -0.19 -0.25 -0.09 0.00 -2.50 0.00 0.00 62.75 59.72 1x1f n ILE 13 Cb 0.54 -0.08 0.03 0.00 0.54 0.00 0.00 39.64 40.67 1x1f n ILE 13 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1x1f n THR 14 N 0.82 -9.33 -3.68 9.51 -1.04 -1.26 -4.99 114.28 104.30 1x1f n THR 14 Ca 0.19 -0.78 -0.34 0.00 -2.04 0.00 0.00 64.05 61.07 1x1f n THR 14 Cb 0.17 -6.51 -0.05 0.00 -1.82 0.00 0.00 70.33 62.12 1x1f n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x1f s ALA 15 N -3.20 3.80 0.51 2.41 0.00 -0.95 -5.06 121.76 119.26 1x1f s ALA 15 Ca 0.24 -0.50 -0.23 0.00 0.00 0.00 0.00 51.96 51.47 1x1f s ALA 15 Cb -0.04 -2.15 -0.06 0.00 0.00 0.00 0.00 23.12 20.87 1x1f s ALA 15 CO 0.76 0.62 1.33 -0.51 0.00 0.00 0.00 175.76 177.96 1x1f s LEU 16 N -1.95 3.94 -0.22 0.00 1.43 -1.26 -4.92 118.68 115.71 1x1f s LEU 16 Ca 0.32 2.70 -0.29 0.00 -1.03 0.00 0.00 54.13 55.83 1x1f s LEU 16 Cb -0.13 -4.19 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 1x1f s LEU 16 CO 0.18 -1.35 1.30 -2.16 0.23 0.00 0.00 176.35 174.56 1x1f s PRO 17 N -2.75 4.08 0.33 1.29 0.04 -1.26 -4.84 135.00 131.89 1x1f s PRO 17 Ca 0.68 1.51 -0.27 0.00 0.04 0.00 0.00 61.00 62.95 1x1f s PRO 17 Cb -0.39 -3.83 -0.09 0.00 0.04 0.00 0.00 34.50 30.23 1x1f s PRO 17 CO 0.47 -0.91 1.12 -1.17 0.04 0.00 0.00 177.00 176.55 1x1f s LEU 18 N 3.95 4.39 0.03 -3.56 2.96 -1.26 -1.25 118.68 123.94 1x1f s LEU 18 Ca 0.57 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.74 1x1f s LEU 18 Cb -0.20 -3.82 0.00 0.00 0.50 0.00 0.00 46.19 42.67 1x1f s LEU 18 CO 0.19 -0.34 0.00 -1.22 -1.32 0.00 0.00 176.35 173.66 1x1f n TYR 19 N 0.69 -0.07 -3.95 5.38 4.01 -0.37 -4.93 117.16 117.92 1x1f n TYR 19 Ca 0.01 0.01 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 1x1f n TYR 19 Cb 0.46 0.07 -0.08 0.00 -0.31 0.00 0.00 39.34 39.47 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 -2.00 0.29 -0.30 -0.72 5.36 -1.17 -5.03 117.98 114.41 1x1f s PHE 20 Ca 0.00 -0.75 -0.12 0.00 -0.96 0.00 0.00 56.93 55.10 1x1f s PHE 20 Cb 0.00 -0.18 0.13 0.00 -0.34 0.00 0.00 43.02 42.62 1x1f s PHE 20 CO 0.00 -0.47 0.73 -1.83 -1.46 0.00 0.00 175.22 172.19 1x1f s GLU 21 N -3.76 0.55 -0.29 10.12 1.03 -1.26 0.11 118.70 125.20 1x1f s GLU 21 Ca 0.05 1.26 -0.21 0.00 0.03 0.00 0.00 54.97 56.10 1x1f s GLU 21 Cb 0.05 0.64 0.15 0.00 -0.80 0.00 0.00 34.13 34.18 1x1f s GLU 21 CO -0.10 -0.17 1.11 0.20 -1.33 0.00 0.00 175.26 174.97 1x1f s GLY 22 N 2.54 0.07 -0.90 -3.83 0.00 -1.09 -5.04 107.32 99.06 1x1f s GLY 22 Ca -0.06 3.11 -0.30 0.00 0.00 0.00 0.00 44.72 47.46 1x1f s GLY 22 CO -0.19 2.19 2.51 0.69 0.00 0.00 0.00 173.10 178.30 1x1f n PHE 23 N 2.66 0.58 -4.11 1.90 3.72 -1.26 -4.12 117.46 116.83 1x1f n PHE 23 Ca -0.14 0.39 -0.27 0.00 -0.05 0.00 0.00 57.45 57.38 1x1f n PHE 23 Cb 0.57 -2.25 -0.06 0.00 -0.94 0.00 0.00 39.48 36.80 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 8.27 3.68 -0.22 4.37 2.96 -1.01 -4.93 118.68 131.80 1x1f s LEU 24 Ca 1.27 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 54.91 1x1f s LEU 24 Cb -1.21 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1x1f s LEU 24 CO 0.48 0.09 0.12 -0.76 -1.32 0.00 0.00 176.35 174.96 1x1f s LEU 25 N -2.97 4.02 -0.13 -0.68 1.43 -0.82 -2.52 118.68 117.02 1x1f s LEU 25 Ca 0.30 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1x1f s LEU 25 Cb -0.10 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1x1f s LEU 25 CO 0.22 0.11 -0.15 -0.63 0.23 0.00 0.00 176.35 176.14 1x1f s ILE 26 N 0.75 2.92 -0.50 -0.59 -1.09 -1.02 -1.92 121.20 119.76 1x1f s ILE 26 Ca 0.06 -0.71 0.06 0.00 -2.23 0.00 0.00 60.65 57.83 1x1f s ILE 26 Cb -0.13 -2.21 0.20 0.00 -1.58 0.00 0.00 42.46 38.74 1x1f s ILE 26 CO 0.02 0.53 0.48 1.17 -1.23 0.00 0.00 174.94 175.91 1x1f n LYS 27 N 3.51 1.01 0.00 2.79 4.81 0.10 -2.04 118.16 128.35 1x1f n LYS 27 Ca -0.18 -3.68 0.00 0.00 -0.87 0.00 0.00 58.31 53.58 1x1f n LYS 27 Cb 0.53 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.82 1x1f n LYS 27 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x1f n ARG 28 N 1.98 -0.81 -0.17 1.64 1.74 -1.26 -2.62 116.66 117.16 1x1f n ARG 28 Ca 0.26 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.23 1x1f n ARG 28 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1x1f n ARG 28 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x1f h SER 29 N -1.70 1.01 -2.56 0.55 0.87 -1.98 -3.31 113.55 106.43 1x1f h SER 29 Ca 0.00 -0.37 -0.69 0.00 -1.23 0.00 0.00 61.79 59.50 1x1f h SER 29 Cb 0.00 -0.28 -0.36 0.00 -0.44 0.00 0.00 62.40 61.32 1x1f h SER 29 CO 0.00 1.15 -0.05 0.61 -0.53 0.00 0.00 176.83 178.01 1x1f n GLY 30 N -0.18 4.89 2.84 5.77 0.00 -1.26 -4.98 105.19 112.27 1x1f n GLY 30 Ca 0.01 -2.72 -0.29 0.00 0.00 0.00 0.00 46.02 43.01 1x1f n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1f s TYR 31 N -2.50 1.81 0.57 1.61 1.51 -1.25 -4.98 117.35 114.12 1x1f s TYR 31 Ca 0.36 -1.39 0.45 0.00 -1.01 0.00 0.00 57.07 55.47 1x1f s TYR 31 Cb 0.09 -1.37 1.56 0.00 -0.11 0.00 0.00 41.96 42.13 1x1f s TYR 31 CO 0.02 -0.71 1.52 -0.09 -1.11 0.00 0.00 175.55 175.18 1x1f h ARG 32 N 8.08 0.00 0.00 -0.62 9.65 -1.94 -3.43 114.38 126.13 1x1f h ARG 32 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1x1f h ARG 32 Cb 1.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 1x1f h ARG 32 CO 0.38 0.00 0.00 -0.85 2.80 0.00 0.00 179.97 182.30 1x1f n GLU 33 N -3.79 0.00 -1.69 0.20 0.28 -1.26 -5.12 120.64 109.27 1x1f n GLU 33 Ca 0.40 0.00 -0.53 0.00 -0.16 0.00 0.00 57.16 56.87 1x1f n GLU 33 Cb 1.90 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 34.72 1x1f n GLU 33 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1x1f n TYR 34 N -0.24 2.18 -3.94 -1.84 4.01 -1.26 -4.83 117.16 111.25 1x1f n TYR 34 Ca 0.00 0.26 -0.35 0.00 -0.16 0.00 0.00 57.90 57.65 1x1f n TYR 34 Cb 0.00 -2.56 -0.08 0.00 -0.31 0.00 0.00 39.34 36.39 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 3.66 3.84 -0.52 -0.72 0.41 -0.86 -4.89 118.70 119.61 1x1f s GLU 35 Ca 0.95 -0.27 -0.27 0.00 -0.41 0.00 0.00 54.97 54.96 1x1f s GLU 35 Cb -0.87 -3.23 0.03 0.00 -1.78 0.00 0.00 34.13 28.28 1x1f s GLU 35 CO 0.58 0.42 1.10 -1.01 -0.49 0.00 0.00 175.26 175.85 1x1f s HIS 36 N -0.02 2.75 -0.00 1.61 3.76 -1.26 -2.42 115.29 119.70 1x1f s HIS 36 Ca 0.08 0.44 0.03 0.00 -0.15 0.00 0.00 55.06 55.46 1x1f s HIS 36 Cb -0.12 -4.34 -0.01 0.00 1.11 0.00 0.00 32.58 29.22 1x1f s HIS 36 CO 0.00 -1.38 -0.10 0.71 -0.85 0.00 0.00 174.74 173.13 1x1f s TYR 37 N 4.46 0.89 -0.87 1.40 2.02 -1.05 -4.97 117.35 119.23 1x1f s TYR 37 Ca 0.42 -0.19 -0.25 0.00 -0.37 0.00 0.00 57.07 56.68 1x1f s TYR 37 Cb -0.08 -0.57 -0.07 0.00 -0.40 0.00 0.00 41.96 40.84 1x1f s TYR 37 CO 0.27 -0.01 2.05 -0.46 -1.57 0.00 0.00 175.55 175.83 1x1f s TRP 38 N -0.30 1.65 0.10 2.71 -0.11 0.38 -2.40 118.94 120.97 1x1f s TRP 38 Ca 0.03 0.94 -0.26 0.00 1.22 0.00 0.00 56.10 58.03 1x1f s TRP 38 Cb -0.04 -3.91 -0.06 0.00 -1.50 0.00 0.00 33.47 27.96 1x1f s TRP 38 CO -0.00 -1.72 0.82 0.99 -4.62 0.00 0.00 176.95 172.42 1x1f s THR 39 N 11.14 4.55 -0.12 5.86 2.01 -1.26 -0.17 115.64 137.65 1x1f s THR 39 Ca 0.75 1.77 0.02 0.00 0.31 0.00 0.00 61.69 64.54 1x1f s THR 39 Cb -0.08 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1x1f s THR 39 CO 0.02 0.41 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.57 1x1f s GLU 40 N -0.40 2.42 -0.32 4.92 2.02 0.50 -2.67 118.70 125.16 1x1f s GLU 40 Ca 0.40 -0.63 -0.20 0.00 0.02 0.00 0.00 54.97 54.55 1x1f s GLU 40 Cb -0.22 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 1x1f s GLU 40 CO 0.26 -0.05 0.61 -1.17 0.02 0.00 0.00 175.26 174.93 1x1f s LEU 41 N 0.94 4.19 -0.04 1.80 0.20 0.12 -1.04 118.68 124.85 1x1f s LEU 41 Ca -0.07 0.29 -0.00 0.00 0.69 0.00 0.00 54.13 55.05 1x1f s LEU 41 Cb -0.15 -2.77 0.03 0.00 -0.43 0.00 0.00 46.19 42.87 1x1f s LEU 41 CO -0.02 -0.50 -0.00 -0.13 -0.29 0.00 0.00 176.35 175.41 1x1f s ARG 42 N 2.60 0.43 0.99 1.98 0.52 -1.19 -1.23 118.95 123.05 1x1f s ARG 42 Ca 0.24 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1x1f s ARG 42 Cb -0.15 -0.65 0.00 0.00 0.52 0.00 0.00 34.95 34.67 1x1f s ARG 42 CO 0.13 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.68 1x1f n GLY 43 N 4.42 0.38 2.72 -3.53 0.00 -0.38 -0.31 105.19 108.49 1x1f n GLY 43 Ca -0.20 0.39 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 0.64 -3.61 2.61 -2.24 -1.26 -4.90 114.28 105.53 1x1f n THR 44 Ca 0.00 -2.26 -0.15 0.00 -2.27 0.00 0.00 64.05 59.37 1x1f n THR 44 Cb 0.00 0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.91 -0.38 -0.72 4.28 2.01 0.58 -4.04 115.64 115.46 1x1f s THR 45 Ca 0.22 0.18 -0.27 0.00 0.31 0.00 0.00 61.69 62.13 1x1f s THR 45 Cb 0.41 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 72.44 1x1f s THR 45 CO -0.04 0.03 1.34 -0.76 -0.69 0.00 0.00 174.62 174.50 1x1f s LEU 46 N 2.39 3.18 -0.22 4.42 1.43 0.83 -3.18 118.68 127.52 1x1f s LEU 46 Ca 0.03 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 1x1f s LEU 46 Cb -0.13 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 1x1f s LEU 46 CO -0.09 -1.90 0.69 -0.36 0.23 0.00 0.00 176.35 174.92 1x1f s PHE 47 N 6.10 3.33 -0.16 0.29 0.08 -0.21 -0.75 117.98 126.66 1x1f s PHE 47 Ca 0.39 0.97 -0.06 0.00 0.12 0.00 0.00 56.93 58.34 1x1f s PHE 47 Cb -0.08 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 1x1f s PHE 47 CO 0.16 -0.28 0.05 -0.06 -0.10 0.00 0.00 175.22 174.98 1x1f s PHE 48 N 2.34 3.24 0.18 0.36 0.08 0.16 0.19 117.98 124.52 1x1f s PHE 48 Ca 0.30 0.07 0.07 0.00 0.12 0.00 0.00 56.93 57.49 1x1f s PHE 48 Cb -0.16 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 1x1f s PHE 48 CO 0.09 0.21 -0.13 0.71 -0.10 0.00 0.00 175.22 176.00 1x1f s TYR 49 N 0.12 1.54 0.13 0.36 2.02 0.76 -0.69 117.35 121.59 1x1f s TYR 49 Ca 0.04 -0.63 0.15 0.00 -0.37 0.00 0.00 57.07 56.26 1x1f s TYR 49 Cb -0.12 -0.74 0.37 0.00 -0.40 0.00 0.00 41.96 41.07 1x1f s TYR 49 CO 0.01 0.25 1.59 1.79 -1.57 0.00 0.00 175.55 177.62 1x1f h THR 50 N 2.74 1.12 0.00 -0.71 1.35 -1.93 1.09 112.91 116.57 1x1f h THR 50 Ca -0.38 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 1x1f h THR 50 Cb 1.21 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1x1f h THR 50 CO 0.61 0.53 0.00 -0.67 -0.25 0.00 0.00 175.52 175.74 1x1f n ASP 51 N -3.52 0.00 0.09 5.36 -0.08 -1.26 -4.49 116.55 112.65 1x1f n ASP 51 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1x1f n ASP 51 Cb 0.63 0.30 0.00 0.00 2.34 0.00 0.00 41.12 44.39 1x1f n ASP 51 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1x1f n LYS 52 N -2.08 0.00 -0.65 -0.67 4.81 -1.26 -4.66 118.16 113.65 1x1f n LYS 52 Ca 0.00 0.00 0.50 0.00 -0.87 0.00 0.00 58.31 57.94 1x1f n LYS 52 Cb 0.00 0.00 0.79 0.00 0.02 0.00 0.00 35.03 35.84 1x1f n LYS 52 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1x1f h LYS 53 N 0.00 0.00 -6.26 1.64 6.56 -2.02 -3.38 116.57 113.12 1x1f h LYS 53 Ca 0.00 -0.00 -0.63 0.00 -1.06 0.00 0.00 60.65 58.96 1x1f h LYS 53 Cb 0.00 -0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.68 1x1f h LYS 53 CO 0.00 0.00 1.07 0.45 -2.06 0.00 0.00 179.45 178.91 1x1f n SER 54 N -4.11 3.30 -0.07 0.86 2.88 -1.26 -4.87 113.62 110.35 1x1f n SER 54 Ca 0.43 0.99 -0.10 0.00 -1.33 0.00 0.00 58.87 58.86 1x1f n SER 54 Cb 1.91 -1.34 -0.06 0.00 -0.75 0.00 0.00 64.21 63.96 1x1f n SER 54 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1x1f h ILE 55 N 5.42 0.65 -2.40 2.46 5.03 -2.02 -3.42 117.51 123.22 1x1f h ILE 55 Ca -0.48 -1.61 -0.62 0.00 -0.12 0.00 0.00 64.86 62.03 1x1f h ILE 55 Cb 1.28 1.34 -0.13 0.00 -3.03 0.00 0.00 36.82 36.28 1x1f h ILE 55 CO 0.95 0.22 0.79 -0.63 -0.68 0.00 0.00 178.15 178.80 1x1f s ILE 56 N -2.09 4.22 0.12 -0.67 1.01 -1.26 -4.98 121.20 117.56 1x1f s ILE 56 Ca -0.15 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 1x1f s ILE 56 Cb 0.01 -4.79 -0.16 0.00 0.01 0.00 0.00 42.46 37.54 1x1f s ILE 56 CO 0.36 -1.60 0.60 0.00 0.00 0.00 0.00 174.94 174.31 1x1f n TYR 57 N 7.98 -0.13 -0.16 3.97 4.11 -1.26 -4.79 117.16 126.90 1x1f n TYR 57 Ca 0.06 0.87 0.05 0.00 -0.00 0.00 0.00 57.90 58.87 1x1f n TYR 57 Cb 0.47 -1.74 0.35 0.00 -0.00 0.00 0.00 39.34 38.42 1x1f n TYR 57 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 1x1f h VAL 58 N 1.40 1.07 -1.71 -3.48 3.04 -1.26 -3.45 116.25 111.86 1x1f h VAL 58 Ca -0.30 -0.26 0.12 0.00 -1.01 0.00 0.00 66.70 65.24 1x1f h VAL 58 Cb 1.25 0.23 -0.21 0.00 -2.01 0.00 0.00 31.29 30.56 1x1f h VAL 58 CO 0.52 0.14 0.59 -1.81 -1.01 0.00 0.00 177.57 176.00 1x1f s ASP 59 N -6.32 -0.32 0.16 3.17 1.01 -1.15 -5.04 116.67 108.19 1x1f s ASP 59 Ca -0.10 0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.41 1x1f s ASP 59 Cb 0.19 0.29 -0.05 0.00 1.01 0.00 0.00 42.92 44.36 1x1f s ASP 59 CO 0.77 -0.38 -0.02 -1.59 0.21 0.00 0.00 175.17 174.15 1x1f s LYS 60 N -1.81 1.07 0.30 8.23 -2.85 -1.26 0.40 119.74 123.83 1x1f s LYS 60 Ca 0.02 -1.50 -0.03 0.00 -1.00 0.00 0.00 55.97 53.46 1x1f s LYS 60 Cb -0.01 -0.33 -0.01 0.00 -2.06 0.00 0.00 37.83 35.43 1x1f s LYS 60 CO -0.03 -0.08 0.40 -0.51 0.10 0.00 0.00 175.35 175.23 1x1f s LEU 61 N -3.16 0.99 0.01 2.77 1.43 0.07 -4.95 118.68 115.85 1x1f s LEU 61 Ca 0.21 -1.39 -0.03 0.00 -1.03 0.00 0.00 54.13 51.89 1x1f s LEU 61 Cb 0.05 1.24 -0.01 0.00 0.03 0.00 0.00 46.19 47.50 1x1f s LEU 61 CO 0.02 -1.16 0.03 -1.81 0.23 0.00 0.00 176.35 173.67 1x1f s ASP 62 N -3.20 0.15 -0.05 2.29 1.11 -1.26 -0.12 116.67 115.59 1x1f s ASP 62 Ca 0.32 -0.37 0.07 0.00 0.18 0.00 0.00 52.55 52.74 1x1f s ASP 62 Cb 0.01 0.14 0.11 0.00 1.07 0.00 0.00 42.92 44.25 1x1f s ASP 62 CO 0.18 -0.32 0.99 2.30 1.18 0.00 0.00 175.17 179.50 1x1f n ILE 63 N 1.58 0.85 0.13 0.77 -5.35 -1.26 -4.75 119.36 111.34 1x1f n ILE 63 Ca -0.23 -1.00 0.04 0.00 -0.27 0.00 0.00 62.75 61.29 1x1f n ILE 63 Cb 0.55 0.29 0.45 0.00 -1.74 0.00 0.00 39.64 39.18 1x1f n ILE 63 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 1x1f h VAL 64 N 2.87 1.13 -0.69 7.28 -1.51 -1.83 0.54 116.25 124.04 1x1f h VAL 64 Ca 0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1x1f h VAL 64 Cb 1.07 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1x1f h VAL 64 CO 0.00 0.17 0.00 0.47 -1.23 0.00 0.00 177.57 176.98 1x1f n ASP 65 N -4.36 4.20 -4.52 4.19 9.92 -1.26 -4.99 116.55 119.73 1x1f n ASP 65 Ca -0.01 -2.19 -0.58 0.00 -0.53 0.00 0.00 54.79 51.49 1x1f n ASP 65 Cb 0.20 -0.52 -0.08 0.00 -0.64 0.00 0.00 41.12 40.08 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1x1f n LEU 66 N 1.39 0.38 0.01 0.64 7.94 0.18 -4.37 117.00 123.17 1x1f n LEU 66 Ca 0.25 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 56.20 1x1f n LEU 66 Cb 0.72 -0.98 -0.14 0.00 0.53 0.00 0.00 43.42 43.56 1x1f n LEU 66 CO 0.19 -1.70 -0.34 0.74 -1.11 0.00 0.00 177.39 175.17 1x1f h THR 67 N 3.09 1.10 0.00 1.96 2.02 0.78 -3.49 112.91 118.37 1x1f h THR 67 Ca -0.50 -2.88 0.00 0.00 0.77 0.00 0.00 66.41 63.80 1x1f h THR 67 Cb 1.41 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 1x1f h THR 67 CO 0.68 0.68 0.00 0.00 0.37 0.00 0.00 175.52 177.25 1x1f s LEU 69 N 0.00 2.13 0.34 0.00 0.20 -1.26 -2.42 118.68 117.66 1x1f s LEU 69 Ca 0.00 -0.40 0.09 0.00 0.69 0.00 0.00 54.13 54.51 1x1f s LEU 69 Cb 0.00 -0.66 -0.05 0.00 -0.43 0.00 0.00 46.19 45.05 1x1f s LEU 69 CO 0.00 0.08 0.06 0.42 -0.29 0.00 0.00 176.35 176.62 1x1f s THR 70 N -0.69 2.79 0.10 3.68 -4.23 -1.16 -4.96 115.64 111.17 1x1f s THR 70 Ca 0.03 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 58.74 1x1f s THR 70 Cb -0.07 -2.87 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 1x1f s THR 70 CO 0.01 -0.20 -0.15 -1.61 -0.54 0.00 0.00 174.62 172.13 1x1f s GLU 71 N -3.77 0.95 -0.19 3.99 2.02 -1.26 -3.39 118.70 117.05 1x1f s GLU 71 Ca 0.36 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 54.27 1x1f s GLU 71 Cb -0.01 -0.96 0.03 0.00 0.10 0.00 0.00 34.13 33.29 1x1f s GLU 71 CO 0.21 0.20 -0.18 -0.65 0.02 0.00 0.00 175.26 174.87 1x1f s GLN 72 N -2.10 2.77 0.07 1.61 1.11 0.77 -4.94 119.66 118.93 1x1f s GLN 72 Ca 0.03 -0.90 -0.31 0.00 0.01 0.00 0.00 55.36 54.19 1x1f s GLN 72 Cb -0.08 -2.59 -0.06 0.00 -1.01 0.00 0.00 33.01 29.27 1x1f s GLN 72 CO 0.03 -0.29 1.26 -0.80 0.01 0.00 0.00 175.29 175.51 1x1f s ASN 73 N 1.27 7.00 0.44 5.90 -0.87 -1.26 -4.57 114.94 122.85 1x1f s ASN 73 Ca 0.02 2.10 -0.02 0.00 -1.57 0.00 0.00 52.86 53.39 1x1f s ASN 73 Cb -0.14 -2.58 -0.02 0.00 -0.02 0.00 0.00 41.25 38.49 1x1f s ASN 73 CO -0.11 -0.54 0.69 -0.55 -2.57 0.00 0.00 177.10 174.02 1x1f s SER 74 N 1.14 6.05 0.01 -1.22 0.15 -1.26 -5.00 113.70 113.56 1x1f s SER 74 Ca 0.60 0.54 0.22 0.00 0.70 0.00 0.00 55.95 58.01 1x1f s SER 74 Cb -0.31 -1.88 -0.15 0.00 -1.71 0.00 0.00 66.02 61.96 1x1f s SER 74 CO 0.29 -0.59 0.84 1.07 1.20 0.00 0.00 173.24 176.05 1x1f n THR 75 N -2.09 0.06 -3.86 6.45 5.66 -1.26 -4.97 114.28 114.26 1x1f n THR 75 Ca -0.00 -0.21 -0.09 0.00 -3.05 0.00 0.00 64.05 60.70 1x1f n THR 75 Cb 0.57 0.46 -0.07 0.00 -1.55 0.00 0.00 70.33 69.73 1x1f n THR 75 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1x1f s GLU 76 N -3.20 0.83 0.00 1.09 -6.30 -1.26 -5.12 118.70 104.74 1x1f s GLU 76 Ca 0.02 -0.96 0.00 0.00 -2.50 0.00 0.00 54.97 51.54 1x1f s GLU 76 Cb 0.15 0.34 0.00 0.00 0.00 0.00 0.00 34.13 34.62 1x1f s GLU 76 CO 0.85 -0.26 0.00 0.36 0.02 0.00 0.00 175.26 176.24 1x1f n LYS 77 N -0.03 0.00 -3.80 4.30 0.00 -1.26 -4.62 118.16 112.75 1x1f n LYS 77 Ca -0.15 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 57.96 1x1f n LYS 77 Cb 0.62 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.48 1x1f n LYS 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1x1f s ASN 78 N -3.93 1.00 0.20 -5.58 3.84 -1.26 -4.89 114.94 104.33 1x1f s ASN 78 Ca 0.00 -0.01 0.03 0.00 0.21 0.00 0.00 52.86 53.09 1x1f s ASN 78 Cb 0.00 -0.27 -0.05 0.00 -0.55 0.00 0.00 41.25 40.39 1x1f s ASN 78 CO 0.00 -0.17 -0.01 0.00 -2.79 0.00 0.00 177.10 174.12 1x1f s ALA 80 N -3.49 2.88 -0.14 0.00 0.00 -1.26 -4.89 121.76 114.85 1x1f s ALA 80 Ca 0.26 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 1x1f s ALA 80 Cb 0.05 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 21.28 1x1f s ALA 80 CO 0.06 -0.97 0.04 0.15 0.00 0.00 0.00 175.76 175.04 1x1f s LYS 81 N 1.38 0.44 0.05 0.00 1.02 -1.26 -3.36 119.74 118.01 1x1f s LYS 81 Ca -0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 55.97 55.83 1x1f s LYS 81 Cb -0.18 -1.61 -0.03 0.00 -0.52 0.00 0.00 37.83 35.49 1x1f s LYS 81 CO -0.01 -0.53 0.01 -0.59 -0.92 0.00 0.00 175.35 173.31 1x1f s PHE 82 N 1.98 0.40 -0.05 3.18 -0.12 -1.25 -0.17 117.98 121.95 1x1f s PHE 82 Ca 0.02 -0.86 0.05 0.00 -0.05 0.00 0.00 56.93 56.10 1x1f s PHE 82 Cb -0.15 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 41.93 1x1f s PHE 82 CO -0.07 -0.36 -0.21 0.99 -0.05 0.00 0.00 175.22 175.53 1x1f s THR 83 N -3.30 2.48 -0.47 -4.49 2.01 -1.22 -2.52 115.64 108.14 1x1f s THR 83 Ca 0.01 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.84 1x1f s THR 83 Cb 0.03 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.64 1x1f s THR 83 CO -0.08 0.58 0.88 -0.76 -0.69 0.00 0.00 174.62 174.55 1x1f s LEU 84 N -0.45 4.10 -0.23 4.42 2.01 0.28 -2.99 118.68 125.82 1x1f s LEU 84 Ca 0.05 -0.04 -0.24 0.00 0.01 0.00 0.00 54.13 53.91 1x1f s LEU 84 Cb -0.12 -3.06 -0.01 0.00 0.01 0.00 0.00 46.19 43.01 1x1f s LEU 84 CO 0.01 -1.04 0.80 -0.69 1.01 0.00 0.00 176.35 176.45 1x1f s VAL 85 N 3.64 4.86 0.18 -1.59 1.01 -1.02 -1.08 120.40 126.40 1x1f s VAL 85 Ca 0.34 1.52 0.08 0.00 0.00 0.00 0.00 61.98 63.92 1x1f s VAL 85 Cb -0.11 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1x1f s VAL 85 CO 0.24 -0.04 -0.17 -0.76 0.00 0.00 0.00 175.10 174.37 1x1f s LEU 86 N 2.66 2.48 0.00 3.92 1.43 -1.23 0.13 118.68 128.07 1x1f s LEU 86 Ca 0.34 -0.91 0.23 0.00 -1.03 0.00 0.00 54.13 52.76 1x1f s LEU 86 Cb -0.15 -0.78 1.35 0.00 0.03 0.00 0.00 46.19 46.64 1x1f s LEU 86 CO 0.08 -0.08 1.74 -0.81 0.23 0.00 0.00 176.35 177.52 1x1f n PRO 87 N 0.08 0.75 -0.01 1.29 -0.04 -1.26 -3.64 135.00 132.17 1x1f n PRO 87 Ca -0.11 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 1x1f n PRO 87 Cb 0.58 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.97 0.19 -3.60 0.54 5.02 -1.26 -5.10 118.16 112.98 1x1f n LYS 88 Ca 0.17 0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1x1f n LYS 88 Cb 0.08 -0.82 -0.07 0.00 -0.02 0.00 0.00 35.03 34.20 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 -2.29 0.94 0.01 1.97 2.12 -1.24 -5.15 118.70 115.05 1x1f s GLU 89 Ca -0.11 0.11 -0.20 0.00 0.36 0.00 0.00 54.97 55.14 1x1f s GLU 89 Cb 0.02 0.44 -0.06 0.00 0.26 0.00 0.00 34.13 34.79 1x1f s GLU 89 CO 0.15 -0.28 0.57 -1.21 -0.54 0.00 0.00 175.26 173.94 1x1f s GLU 90 N -1.25 4.26 -0.04 4.30 2.02 -1.26 -3.50 118.70 123.23 1x1f s GLU 90 Ca -0.12 0.69 0.06 0.00 0.02 0.00 0.00 54.97 55.62 1x1f s GLU 90 Cb -0.02 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 1x1f s GLU 90 CO 0.08 0.44 -0.21 0.08 0.02 0.00 0.00 175.26 175.67 1x1f s VAL 91 N -0.41 2.44 -0.13 2.63 1.01 -0.24 -4.26 120.40 121.44 1x1f s VAL 91 Ca 0.30 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 1x1f s VAL 91 Cb -0.18 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1x1f s VAL 91 CO 0.17 0.58 0.12 -1.10 0.00 0.00 0.00 175.10 174.87 1x1f s GLN 92 N -0.53 3.50 0.21 2.72 -0.21 -1.08 1.00 119.66 125.27 1x1f s GLN 92 Ca 0.07 -0.18 0.07 0.00 0.02 0.00 0.00 55.36 55.35 1x1f s GLN 92 Cb -0.11 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.67 1x1f s GLN 92 CO 0.01 0.70 -0.13 -0.51 -2.12 0.00 0.00 175.29 173.24 1x1f s LEU 93 N -0.80 2.54 -0.17 2.90 1.02 -1.05 -0.72 118.68 122.40 1x1f s LEU 93 Ca 0.14 -1.05 -0.13 0.00 0.02 0.00 0.00 54.13 53.11 1x1f s LEU 93 Cb -0.12 -0.65 0.05 0.00 0.02 0.00 0.00 46.19 45.49 1x1f s LEU 93 CO 0.03 -0.21 0.44 -0.75 0.02 0.00 0.00 176.35 175.88 1x1f s LYS 94 N -3.66 0.47 -0.01 1.70 2.20 -0.81 -4.00 119.74 115.63 1x1f s LYS 94 Ca 0.23 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.56 1x1f s LYS 94 Cb 0.00 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.44 1x1f s LYS 94 CO 0.07 -0.11 -0.00 0.25 -0.36 0.00 0.00 175.35 175.20 1x1f n THR 95 N 3.53 0.05 0.00 3.43 -2.24 -1.21 -1.94 114.28 115.89 1x1f n THR 95 Ca -0.18 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1x1f n THR 95 Cb 0.56 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.35 0.00 -2.85 -0.78 1.02 -1.25 -4.84 120.64 109.59 1x1f n GLU 96 Ca -0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 1x1f n GLU 96 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.90 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 0.00 7.26 0.12 1.62 -0.87 -1.26 -4.21 114.94 117.60 1x1f s ASN 97 Ca 0.00 1.52 -0.20 0.00 -1.57 0.00 0.00 52.86 52.61 1x1f s ASN 97 Cb 0.00 -2.51 -0.08 0.00 -0.02 0.00 0.00 41.25 38.64 1x1f s ASN 97 CO 0.00 -0.14 1.77 0.74 -2.57 0.00 0.00 177.10 176.89 1x1f h THR 98 N 4.55 1.03 -0.04 1.60 2.02 -1.90 0.43 112.91 120.60 1x1f h THR 98 Ca -0.42 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 66.70 1x1f h THR 98 Cb 1.21 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1x1f h THR 98 CO 0.74 0.04 -0.08 -0.33 0.37 0.00 0.00 175.52 176.25 1x1f h GLU 99 N 0.20 -0.07 -0.86 6.66 4.39 -1.96 0.86 114.58 123.81 1x1f h GLU 99 Ca 0.06 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.83 1x1f h GLU 99 Cb -0.01 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1x1f h GLU 99 CO -0.02 -0.05 0.53 1.03 -1.16 0.00 0.00 179.01 179.34 1x1f h SER 100 N -0.07 0.82 0.18 1.42 0.87 -1.93 -0.17 113.55 114.66 1x1f h SER 100 Ca 0.01 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1x1f h SER 100 Cb 0.09 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1x1f h SER 100 CO -0.08 0.51 -0.38 1.23 -0.53 0.00 0.00 176.83 177.58 1x1f h GLY 101 N 0.95 -1.16 1.33 5.77 0.00 0.89 0.88 103.07 111.72 1x1f h GLY 101 Ca 0.38 0.58 0.08 0.00 0.00 0.00 0.00 47.33 48.37 1x1f h GLY 101 CO -0.18 -0.33 0.27 0.83 0.00 0.00 0.00 176.54 177.13 1x1f h GLU 102 N -0.61 0.19 0.15 4.80 4.39 0.95 -1.25 114.58 123.20 1x1f h GLU 102 Ca -0.02 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1x1f h GLU 102 Cb 0.58 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1x1f h GLU 102 CO -0.16 0.13 -0.07 0.93 -1.16 0.00 0.00 179.01 178.68 1x1f h GLU 103 N 0.20 -0.19 -0.07 2.33 5.08 0.20 0.35 114.58 122.48 1x1f h GLU 103 Ca 0.18 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1x1f h GLU 103 Cb 0.47 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1x1f h GLU 103 CO -0.03 -0.13 -0.28 -1.49 -1.00 0.00 0.00 179.01 176.08 1x1f h TRP 104 N -0.21 -0.84 -1.31 4.33 4.06 -0.67 1.01 115.95 122.32 1x1f h TRP 104 Ca -0.02 0.03 0.46 0.00 2.06 0.00 0.00 58.89 61.42 1x1f h TRP 104 Cb 0.15 0.38 -0.14 0.00 -1.00 0.00 0.00 29.16 28.55 1x1f h TRP 104 CO 0.19 -0.29 0.83 -2.13 -3.56 0.00 0.00 178.44 173.48 1x1f n ARG 105 N -4.05 -0.04 0.01 0.49 0.63 -0.49 0.92 116.66 114.12 1x1f n ARG 105 Ca -0.03 1.24 -0.07 0.00 -0.92 0.00 0.00 57.85 58.06 1x1f n ARG 105 Cb 0.20 -2.41 -0.06 0.00 0.45 0.00 0.00 32.46 30.64 1x1f n ARG 105 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1x1f h GLY 106 N 0.00 -0.14 0.34 5.14 0.00 0.19 -1.15 103.07 107.44 1x1f h GLY 106 Ca 0.86 0.05 0.15 0.00 0.00 0.00 0.00 47.33 48.39 1x1f h GLY 106 CO -0.49 -0.05 0.62 0.74 0.00 0.00 0.00 176.54 177.36 1x1f h PHE 107 N -0.98 1.05 0.47 5.60 -1.00 0.48 0.02 116.94 122.58 1x1f h PHE 107 Ca -0.01 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1x1f h PHE 107 Cb 0.42 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1x1f h PHE 107 CO 0.08 0.34 -0.23 0.82 -1.61 0.00 0.00 178.31 177.72 1x1f h ILE 108 N 0.84 0.02 -0.93 -0.55 5.03 0.44 -1.89 117.51 120.48 1x1f h ILE 108 Ca 0.52 -0.54 0.27 0.00 -0.12 0.00 0.00 64.86 64.99 1x1f h ILE 108 Cb 0.71 0.02 -0.04 0.00 -3.03 0.00 0.00 36.82 34.49 1x1f h ILE 108 CO -0.30 0.00 0.98 -0.07 -0.68 0.00 0.00 178.15 178.08 1x1f h LEU 109 N -1.17 0.00 0.20 1.44 3.38 -0.76 1.75 115.31 120.16 1x1f h LEU 109 Ca -0.06 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.63 1x1f h LEU 109 Cb 0.49 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.27 1x1f h LEU 109 CO 0.11 0.00 -1.21 0.74 0.09 0.00 0.00 178.44 178.17 1x1f h THR 110 N 0.00 1.37 -0.52 0.22 2.02 -0.83 0.36 112.91 115.53 1x1f h THR 110 Ca 0.44 -2.61 -0.26 0.00 0.77 0.00 0.00 66.41 64.75 1x1f h THR 110 Cb 2.39 3.07 -0.15 0.00 -1.74 0.00 0.00 68.15 71.72 1x1f h THR 110 CO -0.00 0.77 0.33 1.33 0.37 0.00 0.00 175.52 178.31 1x1f n VAL 111 N -3.88 2.13 0.00 3.16 0.24 0.58 -2.48 118.33 118.08 1x1f n VAL 111 Ca -0.15 -1.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.14 1x1f n VAL 111 Cb 0.99 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 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 -0.33 0.00 0.53 3.34 -2.24 -0.11 -4.68 114.28 110.80 1x1f n THR 112 Ca 0.31 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 1x1f n THR 112 Cb 1.10 -0.15 0.24 0.00 -2.10 0.00 0.00 70.33 69.42 1x1f n THR 112 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x1f h GLU 113 N 0.00 0.00 -1.59 -0.78 5.08 -0.40 -3.47 114.58 113.42 1x1f h GLU 113 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1x1f h GLU 113 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1x1f h GLU 113 CO 0.00 0.00 -0.30 1.28 -1.00 0.00 0.00 179.01 178.99 1x1f n LEU 114 N -2.28 -1.48 0.00 1.33 7.99 -1.03 -4.95 117.00 116.58 1x1f n LEU 114 Ca 0.04 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 1x1f n LEU 114 Cb 0.45 -1.89 0.00 0.00 -0.11 0.00 0.00 43.42 41.87 1x1f n LEU 114 CO 0.34 -0.17 0.00 -0.24 -1.51 0.00 0.00 177.39 175.81 1x1f n SER 115 N -0.24 0.00 -4.01 -1.43 2.88 -1.23 -5.08 113.62 104.51 1x1f n SER 115 Ca -0.14 -0.05 -0.26 0.00 -1.33 0.00 0.00 58.87 57.09 1x1f n SER 115 Cb 0.59 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.88 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 -2.47 1.21 0.05 2.46 1.01 -1.26 -4.08 120.40 117.32 1x1f s VAL 116 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 1x1f s VAL 116 Cb 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1x1f s VAL 116 CO 0.00 0.38 1.17 -2.16 0.00 0.00 0.00 175.10 174.48 1x1f s PRO 117 N 0.93 4.45 0.05 2.72 0.04 -1.26 -4.92 135.00 137.02 1x1f s PRO 117 Ca -0.09 1.72 0.23 0.00 0.04 0.00 0.00 61.00 62.89 1x1f s PRO 117 Cb -0.15 -3.36 0.06 0.00 0.04 0.00 0.00 34.50 31.09 1x1f s PRO 117 CO 0.00 -0.22 1.04 1.04 0.04 0.00 0.00 177.00 178.90 1x1f n GLN 118 N 3.91 0.29 -1.93 4.56 6.02 -1.26 -4.39 117.38 124.58 1x1f n GLN 118 Ca 0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.68 1x1f n GLN 118 Cb 0.47 -1.60 -0.01 0.00 1.02 0.00 0.00 30.24 30.13 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 -1.97 8.12 -4.18 1.08 4.13 -1.26 -4.89 115.26 116.28 1x1f n ASN 119 Ca 0.02 -3.09 -0.21 0.00 1.68 0.00 0.00 54.58 52.98 1x1f n ASN 119 Cb 0.44 -1.38 -0.13 0.00 -1.54 0.00 0.00 39.78 37.17 1x1f n ASN 119 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1x1f s VAL 120 N -0.87 1.26 -1.18 2.41 -7.23 -1.26 -5.02 120.40 108.51 1x1f s VAL 120 Ca 0.56 -1.16 0.27 0.00 -1.81 0.00 0.00 61.98 59.83 1x1f s VAL 120 Cb 0.19 -1.15 0.16 0.00 0.56 0.00 0.00 36.38 36.13 1x1f s VAL 120 CO -0.09 -0.03 1.62 -0.24 -0.31 0.00 0.00 175.10 176.05 1x1f n SER 121 N 1.65 0.44 -3.41 4.85 2.88 -1.26 -4.90 113.62 113.86 1x1f n SER 121 Ca -0.19 -0.20 -0.17 0.00 -1.33 0.00 0.00 58.87 56.98 1x1f n SER 121 Cb 0.54 0.01 0.17 0.00 -0.75 0.00 0.00 64.21 64.18 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 -1.32 0.00 0.00 2.46 4.32 -1.26 -5.03 117.00 116.17 1x1f n LEU 122 Ca 0.08 -0.49 -0.16 0.00 -0.02 0.00 0.00 56.01 55.42 1x1f n LEU 122 Cb 0.33 -0.75 0.01 0.00 -1.62 0.00 0.00 43.42 41.38 1x1f n LEU 122 CO 0.30 -2.45 0.06 0.18 -1.22 0.00 0.00 177.39 174.27 1x1f n LEU 123 N 0.00 0.00 0.15 2.23 4.77 -1.26 -4.94 117.00 117.95 1x1f n LEU 123 Ca 0.08 -1.73 0.13 0.00 -0.03 0.00 0.00 56.01 54.46 1x1f n LEU 123 Cb 0.34 -0.05 0.45 0.00 -2.33 0.00 0.00 43.42 41.82 1x1f n LEU 123 CO 0.22 -0.48 0.88 1.55 -1.33 0.00 0.00 177.39 178.24 1x1f h PRO 124 N 0.00 0.00 0.00 3.23 0.13 -1.99 -0.56 132.00 132.81 1x1f h PRO 124 Ca -0.21 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.68 1x1f h PRO 124 Cb 0.78 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.87 1x1f h PRO 124 CO 0.32 0.00 -1.42 0.78 -0.23 0.00 0.00 178.00 177.46 1x1f h GLY 125 N 3.31 0.00 0.84 1.56 0.00 -2.01 -3.27 103.07 103.50 1x1f h GLY 125 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1x1f h GLY 125 CO 0.00 0.00 -1.81 1.46 0.00 0.00 0.00 176.54 176.19 1x1f h GLN 126 N 0.00 0.37 -0.97 4.80 1.08 -1.91 -3.34 115.11 115.14 1x1f h GLN 126 Ca -0.18 -0.63 0.13 0.00 -1.45 0.00 0.00 58.65 56.52 1x1f h GLN 126 Cb 1.86 0.23 -0.08 0.00 -0.05 0.00 0.00 27.48 29.44 1x1f h GLN 126 CO 0.09 1.30 0.61 0.28 -0.95 0.00 0.00 178.83 180.16 1x1f h VAL 127 N 0.09 0.89 -0.87 -0.54 2.07 -1.26 -0.73 116.25 115.91 1x1f h VAL 127 Ca -0.37 -0.31 0.19 0.00 0.82 0.00 0.00 66.70 67.04 1x1f h VAL 127 Cb 2.08 -0.08 -0.16 0.00 -1.52 0.00 0.00 31.29 31.61 1x1f h VAL 127 CO 0.16 0.16 -0.13 0.40 0.02 0.00 0.00 177.57 178.17 1x1f h ILE 128 N 0.90 0.15 -0.66 4.57 2.04 -1.68 1.21 117.51 124.04 1x1f h ILE 128 Ca 0.48 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 66.45 1x1f h ILE 128 Cb 0.57 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 1x1f h ILE 128 CO -0.25 0.00 0.22 0.11 0.00 0.00 0.00 178.15 178.24 1x1f h LYS 129 N 0.02 0.36 -0.49 2.37 1.79 -1.32 1.61 116.57 120.91 1x1f h LYS 129 Ca 0.45 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1x1f h LYS 129 Cb 0.76 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 1x1f h LYS 129 CO -0.86 0.24 0.29 -0.07 -1.08 0.00 0.00 179.45 177.97 1x1f h LEU 130 N 0.37 0.58 0.09 2.94 3.38 0.14 1.56 115.31 124.36 1x1f h LEU 130 Ca 0.35 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1x1f h LEU 130 Cb 0.50 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1x1f h LEU 130 CO -0.38 0.45 -0.04 0.45 0.09 0.00 0.00 178.44 179.01 1x1f h HIS 131 N 0.67 -0.11 -0.14 1.13 3.86 0.19 -2.48 115.15 118.27 1x1f h HIS 131 Ca 0.18 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1x1f h HIS 131 Cb -0.03 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1x1f h HIS 131 CO 0.00 0.40 0.09 0.93 0.86 0.00 0.00 177.93 180.21 1x1f h GLU 132 N -0.90 0.18 -0.91 2.45 5.08 0.23 -1.17 114.58 119.54 1x1f h GLU 132 Ca -0.01 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 1x1f h GLU 132 Cb 0.56 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1x1f h GLU 132 CO 0.02 0.12 0.53 0.28 -1.00 0.00 0.00 179.01 178.95 1x1f h VAL 133 N 0.18 0.83 0.22 3.13 2.07 0.21 0.44 116.25 123.34 1x1f h VAL 133 Ca 0.05 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1x1f h VAL 133 Cb -0.01 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1x1f h VAL 133 CO -0.02 0.15 -0.11 0.25 0.02 0.00 0.00 177.57 177.86 1x1f h LEU 134 N 0.80 -0.25 -1.76 2.57 5.85 -0.88 0.11 115.31 121.74 1x1f h LEU 134 Ca 0.47 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.28 1x1f h LEU 134 Cb 0.56 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1x1f h LEU 134 CO -0.30 -0.18 0.51 -0.33 -0.34 0.00 0.00 178.44 177.79 1x1f h GLU 135 N -0.30 0.00 0.13 1.25 5.08 -0.90 0.44 114.58 120.28 1x1f h GLU 135 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1x1f h GLU 135 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1x1f h GLU 135 CO 0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 178.00 1x1f h ARG 136 N 0.00 -0.17 0.00 2.33 2.47 0.51 -3.06 114.38 116.46 1x1f h ARG 136 Ca 0.13 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.77 1x1f h ARG 136 Cb 1.14 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.48 1x1f h ARG 136 CO -0.00 0.29 -0.44 1.05 0.56 0.00 0.00 179.97 181.42 1x1f h GLU 137 N -0.73 0.00 -0.87 0.04 4.11 0.12 -2.95 114.58 114.31 1x1f h GLU 137 Ca -0.02 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.51 1x1f h GLU 137 Cb 0.53 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 1x1f h GLU 137 CO 0.03 0.44 0.51 0.87 0.07 0.00 0.00 179.01 180.94 1x1f h LYS 138 N 0.00 0.84 0.04 1.06 1.57 -0.27 -1.54 116.57 118.27 1x1f h LYS 138 Ca -0.00 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1x1f h LYS 138 Cb 0.91 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1x1f h LYS 138 CO 0.06 0.55 -0.22 0.87 -0.57 0.00 0.00 179.45 180.14 1x1f h LYS 139 N 0.86 -0.30 -0.62 3.15 6.56 -1.41 -2.04 116.57 122.78 1x1f h LYS 139 Ca 0.41 0.02 0.11 0.00 -1.06 0.00 0.00 60.65 60.13 1x1f h LYS 139 Cb 0.35 0.07 -0.12 0.00 -0.57 0.00 0.00 32.23 31.96 1x1f h LYS 139 CO -0.24 -0.20 -0.34 0.00 -2.06 0.00 0.00 179.45 176.61 1x1f h ARG 140 N -0.31 -0.15 -0.94 3.15 3.08 -1.59 0.21 114.38 117.83 1x1f h ARG 140 Ca -0.00 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.30 1x1f h ARG 140 Cb 0.31 0.03 -0.18 0.00 0.08 0.00 0.00 29.97 30.22 1x1f h ARG 140 CO -0.13 -0.10 -0.04 0.54 -1.07 0.00 0.00 179.97 179.18 1x1f n ARG 141 N -5.44 -0.08 0.00 0.04 5.12 -0.61 -1.62 116.66 114.08 1x1f n ARG 141 Ca 0.05 1.42 0.00 0.00 -1.93 0.00 0.00 57.85 57.39 1x1f n ARG 141 Cb 0.36 -2.23 0.00 0.00 -1.16 0.00 0.00 32.46 29.43 1x1f n ARG 141 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1x1f n ILE 142 N -5.43 0.00 -0.39 0.55 5.41 0.73 1.00 119.36 121.23 1x1f n ILE 142 Ca 0.21 1.01 -0.10 0.00 1.00 0.00 0.00 62.75 64.86 1x1f n ILE 142 Cb 0.67 -1.60 -0.09 0.00 -0.71 0.00 0.00 39.64 37.91 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 -0.93 -0.40 -0.35 0.38 1.02 -0.66 -0.24 120.64 119.46 1x1f n GLU 143 Ca 0.00 1.43 -0.09 0.00 -0.02 0.00 0.00 57.16 58.48 1x1f n GLU 143 Cb 0.00 -2.10 -0.06 0.00 -0.02 0.00 0.00 31.44 29.26 1x1f n GLU 143 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1x1f h SER 144 N 0.00 -1.88 0.00 1.62 0.02 -0.86 -3.47 113.55 108.98 1x1f h SER 144 Ca 0.15 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1x1f h SER 144 Cb 0.38 0.85 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1x1f h SER 144 CO -0.87 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 175.16 1x1f n GLY 145 N -1.34 -0.19 3.81 -3.77 0.00 0.28 -5.09 105.19 98.89 1x1f n GLY 145 Ca 0.03 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 2.16 0.04 1.61 0.04 -1.26 -4.10 135.00 131.49 1x1f s PRO 146 Ca 0.00 0.66 0.07 0.00 0.04 0.00 0.00 61.00 61.77 1x1f s PRO 146 Cb 0.00 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1x1f s PRO 146 CO 0.00 -1.57 -0.16 0.45 0.04 0.00 0.00 177.00 175.76 1x1f s SER 147 N -3.90 3.98 -0.17 6.66 0.15 -1.26 -5.05 113.70 114.11 1x1f s SER 147 Ca 0.60 -0.39 -0.13 0.00 0.70 0.00 0.00 55.95 56.74 1x1f s SER 147 Cb -0.14 -0.70 -0.06 0.00 -1.71 0.00 0.00 66.02 63.41 1x1f s SER 147 CO 0.54 0.25 -0.17 -1.20 1.20 0.00 0.00 173.24 173.86 1x1f n SER 148 N 1.45 1.85 0.00 5.45 7.64 -1.26 -5.26 113.62 123.49 1x1f n SER 148 Ca -0.16 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1x1f n SER 148 Cb 0.52 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64