#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 -0.30 -0.31 1.61 1.04 -1.26 -5.14 113.70 109.34 1x1f s SER 2 Ca 0.00 0.37 -0.11 0.00 0.48 0.00 0.00 55.95 56.69 1x1f s SER 2 Cb 0.00 0.30 0.19 0.00 0.10 0.00 0.00 66.02 66.61 1x1f s SER 2 CO 0.00 -0.25 1.08 -0.55 0.98 0.00 0.00 173.24 174.50 1x1f s SER 3 N -0.90 -0.25 -0.61 7.02 0.15 -1.26 -5.10 113.70 112.76 1x1f s SER 3 Ca 0.01 -0.08 -0.28 0.00 0.70 0.00 0.00 55.95 56.30 1x1f s SER 3 Cb -0.01 0.57 -0.11 0.00 -1.71 0.00 0.00 66.02 64.76 1x1f s SER 3 CO -0.02 -0.03 2.47 0.61 1.20 0.00 0.00 173.24 177.47 1x1f n GLY 4 N 4.07 0.06 3.17 9.45 0.00 -1.26 -4.87 105.19 115.80 1x1f n GLY 4 Ca 0.07 0.81 -0.09 0.00 0.00 0.00 0.00 46.02 46.81 1x1f n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1f s SER 5 N 10.89 0.17 0.02 1.61 0.15 -1.26 -5.17 113.70 120.11 1x1f s SER 5 Ca 1.09 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 57.13 1x1f s SER 5 Cb -0.52 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 1x1f s SER 5 CO 0.34 -0.64 -0.05 -0.55 1.20 0.00 0.00 173.24 173.54 1x1f s SER 6 N -2.58 0.57 -0.10 5.45 0.15 -1.26 -5.14 113.70 110.79 1x1f s SER 6 Ca 0.01 -0.41 -0.03 0.00 0.70 0.00 0.00 55.95 56.22 1x1f s SER 6 Cb 0.03 0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.41 1x1f s SER 6 CO -0.08 -0.17 0.06 -0.83 1.20 0.00 0.00 173.24 173.42 1x1f s GLY 7 N -1.16 0.33 -0.51 9.45 0.00 -1.26 -5.09 107.32 109.09 1x1f s GLY 7 Ca -0.09 -0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.59 1x1f s GLY 7 CO -0.00 1.46 0.28 1.62 0.00 0.00 0.00 173.10 176.46 1x1f s GLN 8 N 2.10 1.77 -0.09 2.90 0.74 -1.26 -5.07 119.66 120.76 1x1f s GLN 8 Ca 0.04 -2.48 -0.11 0.00 0.05 0.00 0.00 55.36 52.86 1x1f s GLN 8 Cb -0.14 -2.95 0.03 0.00 1.10 0.00 0.00 33.01 31.05 1x1f s GLN 8 CO -0.06 -1.15 0.29 -1.83 -0.55 0.00 0.00 175.29 171.99 1x1f s GLU 9 N -0.19 0.42 -0.53 1.67 -1.05 -1.26 -5.11 118.70 112.64 1x1f s GLU 9 Ca 0.18 0.25 0.04 0.00 -0.15 0.00 0.00 54.97 55.30 1x1f s GLU 9 Cb -0.22 0.20 0.13 0.00 -0.44 0.00 0.00 34.13 33.79 1x1f s GLU 9 CO -0.02 -0.07 0.27 1.03 0.95 0.00 0.00 175.26 177.42 1x1f s ARG 10 N -0.21 2.00 0.80 -4.83 1.81 -1.26 -5.10 118.95 112.17 1x1f s ARG 10 Ca -0.03 -2.66 -0.14 0.00 -1.72 0.00 0.00 55.73 51.17 1x1f s ARG 10 Cb -0.03 -3.32 0.06 0.00 -0.45 0.00 0.00 34.95 31.21 1x1f s ARG 10 CO 0.01 -1.12 1.06 1.28 -0.68 0.00 0.00 175.30 175.86 1x1f n LEU 11 N 3.04 3.71 -4.19 2.53 7.99 -1.26 -4.95 117.00 123.87 1x1f n LEU 11 Ca 0.06 0.58 -0.41 0.00 -0.01 0.00 0.00 56.01 56.23 1x1f n LEU 11 Cb 0.32 -1.45 -0.07 0.00 -0.11 0.00 0.00 43.42 42.11 1x1f n LEU 11 CO 0.34 -1.98 0.13 -0.75 -1.51 0.00 0.00 177.39 173.61 1x1f s LYS 12 N -3.86 2.82 -0.12 3.23 2.20 -1.26 -5.05 119.74 117.69 1x1f s LYS 12 Ca 0.72 -2.28 -0.23 0.00 -0.36 0.00 0.00 55.97 53.82 1x1f s LYS 12 Cb -0.30 -3.98 -0.03 0.00 -1.51 0.00 0.00 37.83 32.02 1x1f s LYS 12 CO 0.52 -1.21 0.70 0.42 -0.36 0.00 0.00 175.35 175.43 1x1f s ILE 13 N 0.43 5.01 -0.21 5.43 1.09 -1.26 -4.96 121.20 126.72 1x1f s ILE 13 Ca 0.14 1.40 -0.06 0.00 -1.10 0.00 0.00 60.65 61.03 1x1f s ILE 13 Cb -0.19 -4.03 0.10 0.00 -1.06 0.00 0.00 42.46 37.28 1x1f s ILE 13 CO -0.04 0.17 0.41 -0.89 -0.10 0.00 0.00 174.94 174.48 1x1f s THR 14 N 1.36 -0.64 0.00 2.92 2.01 -1.26 -4.99 115.64 115.05 1x1f s THR 14 Ca 0.35 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1x1f s THR 14 Cb -0.17 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.65 1x1f s THR 14 CO 0.15 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.11 1x1f n ALA 15 N 5.38 0.00 -3.50 7.40 0.00 -1.26 -4.59 120.51 123.94 1x1f n ALA 15 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 1x1f n ALA 15 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 1x1f n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1f s LEU 16 N 0.00 1.38 -0.41 0.00 1.43 -1.26 -5.11 118.68 114.71 1x1f s LEU 16 Ca 0.00 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1x1f s LEU 16 Cb 0.00 -0.24 0.01 0.00 0.03 0.00 0.00 46.19 45.99 1x1f s LEU 16 CO 0.00 -0.06 1.41 -2.16 0.23 0.00 0.00 176.35 175.76 1x1f s PRO 17 N 0.75 3.59 0.27 1.29 0.04 -1.26 -4.93 135.00 134.75 1x1f s PRO 17 Ca -0.08 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1x1f s PRO 17 Cb -0.11 -4.02 -0.10 0.00 0.04 0.00 0.00 34.50 30.31 1x1f s PRO 17 CO -0.01 -1.55 1.43 -1.17 0.04 0.00 0.00 177.00 175.74 1x1f s LEU 18 N 5.39 4.39 -0.05 -3.56 1.98 -1.26 -3.45 118.68 122.12 1x1f s LEU 18 Ca 0.61 2.70 0.07 0.00 -2.89 0.00 0.00 54.13 54.61 1x1f s LEU 18 Cb -0.14 -3.63 -0.09 0.00 0.66 0.00 0.00 46.19 42.99 1x1f s LEU 18 CO 0.32 -0.69 0.07 -1.22 -1.89 0.00 0.00 176.35 172.94 1x1f n TYR 19 N 1.99 0.00 -3.63 5.38 4.01 -0.52 -5.01 117.16 119.38 1x1f n TYR 19 Ca 0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.76 1x1f n TYR 19 Cb 0.40 -0.29 -0.05 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.28 -0.10 -0.09 -0.72 5.36 -1.18 -5.01 117.98 113.95 1x1f s PHE 20 Ca -0.03 0.18 -0.05 0.00 -0.96 0.00 0.00 56.93 56.07 1x1f s PHE 20 Cb 0.03 0.48 0.04 0.00 -0.34 0.00 0.00 43.02 43.24 1x1f s PHE 20 CO 0.29 -0.08 0.22 -1.83 -1.46 0.00 0.00 175.22 172.35 1x1f s GLU 21 N -0.88 0.17 -0.21 10.12 -1.05 -1.26 0.41 118.70 126.01 1x1f s GLU 21 Ca 0.07 0.50 -0.29 0.00 -0.15 0.00 0.00 54.97 55.09 1x1f s GLU 21 Cb -0.01 -0.14 0.15 0.00 -0.44 0.00 0.00 34.13 33.68 1x1f s GLU 21 CO -0.07 -0.17 1.11 0.20 0.95 0.00 0.00 175.26 177.27 1x1f s GLY 22 N 1.29 -0.15 -0.55 -3.83 0.00 -0.80 -5.03 107.32 98.25 1x1f s GLY 22 Ca -0.09 2.33 -0.26 0.00 0.00 0.00 0.00 44.72 46.70 1x1f s GLY 22 CO -0.08 1.14 2.44 0.69 0.00 0.00 0.00 173.10 177.30 1x1f n PHE 23 N 0.82 1.33 -3.91 1.90 3.72 -1.26 -3.19 117.46 116.87 1x1f n PHE 23 Ca -0.08 0.13 -0.31 0.00 -0.05 0.00 0.00 57.45 57.14 1x1f n PHE 23 Cb 0.58 -2.61 -0.04 0.00 -0.94 0.00 0.00 39.48 36.47 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 12.09 4.36 -0.26 4.37 2.96 -0.84 -4.87 118.68 136.49 1x1f s LEU 24 Ca 1.01 0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 55.11 1x1f s LEU 24 Cb -0.26 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 1x1f s LEU 24 CO 0.27 0.18 0.15 -0.76 -1.32 0.00 0.00 176.35 174.87 1x1f s LEU 25 N -2.44 3.88 -0.08 -0.68 1.43 -1.07 -2.74 118.68 116.97 1x1f s LEU 25 Ca 0.34 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1x1f s LEU 25 Cb -0.13 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1x1f s LEU 25 CO 0.27 -0.02 -0.06 -0.63 0.23 0.00 0.00 176.35 176.13 1x1f s ILE 26 N 1.58 3.77 -0.45 -0.59 -1.09 -0.75 -2.51 121.20 121.15 1x1f s ILE 26 Ca 0.07 -0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 1x1f s ILE 26 Cb -0.15 -2.55 0.14 0.00 -1.58 0.00 0.00 42.46 38.31 1x1f s ILE 26 CO 0.08 0.59 0.25 -0.75 -1.23 0.00 0.00 174.94 173.88 1x1f s LYS 27 N -0.74 1.38 0.00 2.79 2.20 -1.17 0.13 119.74 124.33 1x1f s LYS 27 Ca 0.11 -2.10 0.00 0.00 -0.36 0.00 0.00 55.97 53.62 1x1f s LYS 27 Cb -0.11 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 1x1f s LYS 27 CO 0.02 -1.16 0.00 0.54 -0.36 0.00 0.00 175.35 174.39 1x1f n ARG 28 N 3.46 -0.10 -0.04 4.03 1.74 -1.26 -3.71 116.66 120.78 1x1f n ARG 28 Ca 0.08 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.01 1x1f n ARG 28 Cb 0.34 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.65 1x1f n ARG 28 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1x1f h SER 29 N -0.38 0.12 1.37 0.55 4.64 -1.99 -3.30 113.55 114.55 1x1f h SER 29 Ca 0.00 -0.97 -0.01 0.00 -0.47 0.00 0.00 61.79 60.34 1x1f h SER 29 Cb 0.00 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1x1f h SER 29 CO 0.00 1.12 -0.06 1.23 -0.87 0.00 0.00 176.83 178.25 1x1f h GLY 30 N -0.83 0.00 -6.00 -0.77 0.00 -2.02 -3.44 103.07 90.01 1x1f h GLY 30 Ca -0.05 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.72 1x1f h GLY 30 CO 0.03 0.00 1.29 -0.19 0.00 0.00 0.00 176.54 177.67 1x1f s TYR 31 N -3.47 1.45 0.62 5.60 1.51 -1.25 -4.83 117.35 116.98 1x1f s TYR 31 Ca 0.03 0.09 0.33 0.00 -1.01 0.00 0.00 57.07 56.52 1x1f s TYR 31 Cb 0.08 -4.07 1.89 0.00 -0.11 0.00 0.00 41.96 39.75 1x1f s TYR 31 CO 0.61 -4.48 2.19 0.00 -1.11 0.00 0.00 175.55 172.76 1x1f h ARG 32 N 11.98 0.00 -1.21 -0.62 2.47 -1.89 -3.43 114.38 121.68 1x1f h ARG 32 Ca -0.43 0.00 0.31 0.00 -1.26 0.00 0.00 59.98 58.60 1x1f h ARG 32 Cb 1.22 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.34 1x1f h ARG 32 CO 0.96 0.00 0.92 -1.83 0.56 0.00 0.00 179.97 180.58 1x1f s GLU 33 N -4.46 0.14 -0.06 0.04 -1.05 -1.26 -5.13 118.70 106.93 1x1f s GLU 33 Ca -0.05 -0.05 -0.36 0.00 -0.15 0.00 0.00 54.97 54.36 1x1f s GLU 33 Cb 0.14 0.06 -0.18 0.00 -0.44 0.00 0.00 34.13 33.72 1x1f s GLU 33 CO 0.48 -0.06 1.00 0.66 0.95 0.00 0.00 175.26 178.29 1x1f n TYR 34 N -0.08 0.69 -4.22 4.83 4.01 -1.26 -4.84 117.16 116.29 1x1f n TYR 34 Ca 0.02 0.94 -0.32 0.00 -0.16 0.00 0.00 57.90 58.39 1x1f n TYR 34 Cb 0.58 -1.85 -0.08 0.00 -0.31 0.00 0.00 39.34 37.67 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 0.33 2.72 -0.33 -0.72 0.41 0.12 -4.89 118.70 116.34 1x1f s GLU 35 Ca 0.82 -0.69 -0.17 0.00 -0.41 0.00 0.00 54.97 54.52 1x1f s GLU 35 Cb -1.14 -2.63 -0.01 0.00 -1.78 0.00 0.00 34.13 28.56 1x1f s GLU 35 CO 0.53 0.59 0.47 -1.58 -0.49 0.00 0.00 175.26 174.78 1x1f s HIS 36 N -1.18 3.20 -0.01 1.61 2.46 -1.26 -1.81 115.29 118.29 1x1f s HIS 36 Ca 0.22 0.20 -0.04 0.00 0.47 0.00 0.00 55.06 55.92 1x1f s HIS 36 Cb -0.12 -2.82 0.00 0.00 -0.13 0.00 0.00 32.58 29.51 1x1f s HIS 36 CO 0.14 -0.46 0.09 0.71 -2.47 0.00 0.00 174.74 172.74 1x1f s TYR 37 N 2.28 0.03 -1.08 3.88 2.02 -1.11 -5.01 117.35 118.36 1x1f s TYR 37 Ca 0.17 -0.06 -0.23 0.00 -0.37 0.00 0.00 57.07 56.59 1x1f s TYR 37 Cb -0.16 -0.04 -0.02 0.00 -0.40 0.00 0.00 41.96 41.34 1x1f s TYR 37 CO 0.12 -0.17 1.81 -0.46 -1.57 0.00 0.00 175.55 175.29 1x1f s TRP 38 N -0.81 2.16 0.14 2.71 -0.11 0.43 -1.99 118.94 121.46 1x1f s TRP 38 Ca -0.09 -0.09 -0.28 0.00 1.22 0.00 0.00 56.10 56.86 1x1f s TRP 38 Cb -0.05 -4.28 -0.07 0.00 -1.50 0.00 0.00 33.47 27.57 1x1f s TRP 38 CO 0.00 -1.62 0.88 0.99 -4.62 0.00 0.00 176.95 172.59 1x1f s THR 39 N 8.42 4.43 -0.06 5.86 2.01 -1.19 -1.35 115.64 133.76 1x1f s THR 39 Ca 0.62 1.92 0.03 0.00 0.31 0.00 0.00 61.69 64.57 1x1f s THR 39 Cb -0.02 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.25 1x1f s THR 39 CO 0.04 0.40 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.63 1x1f s GLU 40 N -0.47 1.70 -0.32 4.92 2.02 0.23 -1.91 118.70 124.86 1x1f s GLU 40 Ca 0.42 -0.45 -0.20 0.00 0.02 0.00 0.00 54.97 54.76 1x1f s GLU 40 Cb -0.23 -1.42 -0.01 0.00 0.10 0.00 0.00 34.13 32.58 1x1f s GLU 40 CO 0.28 0.07 0.62 -1.17 0.02 0.00 0.00 175.26 175.08 1x1f s LEU 41 N 0.54 4.19 -0.04 1.80 0.20 0.17 -1.51 118.68 124.02 1x1f s LEU 41 Ca -0.12 0.31 0.00 0.00 0.69 0.00 0.00 54.13 55.01 1x1f s LEU 41 Cb -0.15 -2.79 0.03 0.00 -0.43 0.00 0.00 46.19 42.85 1x1f s LEU 41 CO 0.03 -0.51 -0.01 -0.13 -0.29 0.00 0.00 176.35 175.44 1x1f s ARG 42 N 2.63 0.48 3.26 1.98 0.52 -1.21 -1.44 118.95 125.17 1x1f s ARG 42 Ca 0.24 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 1x1f s ARG 42 Cb -0.15 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.67 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 4.31 0.49 0.19 -3.53 0.00 -1.22 -0.94 105.19 104.49 1x1f n GLY 43 Ca -0.22 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 -5.11 2.61 -2.24 -1.26 -4.87 114.28 103.41 1x1f n THR 44 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1x1f n THR 44 Cb 0.00 0.77 -0.17 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.00 2.17 -0.29 4.28 2.01 -0.11 -2.97 115.64 120.73 1x1f s THR 45 Ca 0.00 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.74 1x1f s THR 45 Cb 0.00 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.68 1x1f s THR 45 CO 0.00 0.55 1.07 -0.76 -0.69 0.00 0.00 174.62 174.80 1x1f s LEU 46 N 0.39 3.99 -0.26 4.42 1.43 -0.83 -3.30 118.68 124.52 1x1f s LEU 46 Ca -0.17 1.17 -0.09 0.00 -1.03 0.00 0.00 54.13 54.01 1x1f s LEU 46 Cb -0.18 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1x1f s LEU 46 CO 0.08 -0.82 0.11 -0.36 0.23 0.00 0.00 176.35 175.59 1x1f s PHE 47 N 3.52 3.14 -0.03 0.29 0.08 -0.57 -0.93 117.98 123.48 1x1f s PHE 47 Ca 0.45 -0.22 -0.02 0.00 0.12 0.00 0.00 56.93 57.27 1x1f s PHE 47 Cb -0.13 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 1x1f s PHE 47 CO 0.12 -0.27 0.09 -0.06 -0.10 0.00 0.00 175.22 175.01 1x1f s PHE 48 N 1.61 3.34 0.03 0.36 0.08 -0.49 0.75 117.98 123.66 1x1f s PHE 48 Ca 0.06 0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.41 1x1f s PHE 48 Cb -0.15 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 1x1f s PHE 48 CO 0.06 0.58 -0.09 0.71 -0.10 0.00 0.00 175.22 176.37 1x1f s TYR 49 N -1.14 0.82 0.21 0.36 1.51 -0.45 -2.08 117.35 116.58 1x1f s TYR 49 Ca 0.21 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1x1f s TYR 49 Cb -0.12 -0.49 0.16 0.00 -0.11 0.00 0.00 41.96 41.40 1x1f s TYR 49 CO 0.11 -0.02 1.50 1.79 -1.11 0.00 0.00 175.55 177.82 1x1f h THR 50 N 4.61 1.44 -1.37 -0.71 1.35 -1.94 0.12 112.91 116.41 1x1f h THR 50 Ca -0.35 -2.25 0.30 0.00 -0.55 0.00 0.00 66.41 63.56 1x1f h THR 50 Cb 1.19 2.20 -0.16 0.00 -1.73 0.00 0.00 68.15 69.65 1x1f h THR 50 CO 0.44 0.66 0.86 -1.81 -0.25 0.00 0.00 175.52 175.41 1x1f s ASP 51 N -6.90 -0.08 0.22 5.36 1.01 -1.26 -4.66 116.67 110.36 1x1f s ASP 51 Ca -0.03 -0.05 -0.08 0.00 0.71 0.00 0.00 52.55 53.10 1x1f s ASP 51 Cb 0.11 0.12 0.36 0.00 1.01 0.00 0.00 42.92 44.52 1x1f s ASP 51 CO 0.80 -0.21 1.69 0.11 0.21 0.00 0.00 175.17 177.78 1x1f h LYS 52 N 2.00 0.24 -0.93 8.23 1.57 -1.97 0.26 116.57 125.97 1x1f h LYS 52 Ca -0.17 -0.01 0.28 0.00 -1.87 0.00 0.00 60.65 58.87 1x1f h LYS 52 Cb 1.17 -0.05 -0.15 0.00 0.08 0.00 0.00 32.23 33.28 1x1f h LYS 52 CO 0.25 0.16 0.34 0.87 -0.57 0.00 0.00 179.45 180.50 1x1f h LYS 53 N 0.25 0.21 -6.69 3.15 1.79 -2.02 -3.39 116.57 109.87 1x1f h LYS 53 Ca 0.35 -0.01 -0.55 0.00 -2.18 0.00 0.00 60.65 58.26 1x1f h LYS 53 Cb 0.56 -0.05 0.08 0.00 -1.58 0.00 0.00 32.23 31.24 1x1f h LYS 53 CO -0.46 0.14 0.83 0.45 -1.08 0.00 0.00 179.45 179.34 1x1f n SER 54 N -5.19 3.55 -0.06 0.86 2.88 0.93 -4.89 113.62 111.70 1x1f n SER 54 Ca 0.26 1.12 -0.07 0.00 -1.33 0.00 0.00 58.87 58.85 1x1f n SER 54 Cb 0.82 -1.54 -0.07 0.00 -0.75 0.00 0.00 64.21 62.67 1x1f n SER 54 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1x1f n ILE 55 N 2.54 0.72 0.00 2.46 -6.64 -1.26 -4.87 119.36 112.31 1x1f n ILE 55 Ca 0.11 -0.34 0.00 0.00 -1.77 0.00 0.00 62.75 60.75 1x1f n ILE 55 Cb 0.34 -0.87 0.00 0.00 -1.44 0.00 0.00 39.64 37.68 1x1f n ILE 55 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 1x1f n ILE 56 N -2.67 0.00 0.00 7.28 2.08 -1.26 -5.10 119.36 119.68 1x1f n ILE 56 Ca -0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.11 1x1f n ILE 56 Cb 0.78 -0.19 0.00 0.00 -0.75 0.00 0.00 39.64 39.48 1x1f n ILE 56 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x1f n TYR 57 N 0.00 0.00 0.04 1.39 4.11 -1.26 -5.01 117.16 116.43 1x1f n TYR 57 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.75 1x1f n TYR 57 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.20 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 0.14 1.05 -2.21 -3.48 3.04 -1.78 -3.49 116.25 109.52 1x1f h VAL 58 Ca 0.00 -2.75 0.32 0.00 -1.01 0.00 0.00 66.70 63.26 1x1f h VAL 58 Cb 0.00 2.66 -0.06 0.00 -2.01 0.00 0.00 31.29 31.88 1x1f h VAL 58 CO 0.00 0.77 0.86 -1.81 -1.01 0.00 0.00 177.57 176.39 1x1f s ASP 59 N -6.79 0.01 0.23 3.17 1.01 -1.23 -5.06 116.67 108.01 1x1f s ASP 59 Ca -0.09 -0.27 -0.22 0.00 0.71 0.00 0.00 52.55 52.68 1x1f s ASP 59 Cb 0.07 0.19 0.04 0.00 1.01 0.00 0.00 42.92 44.23 1x1f s ASP 59 CO 0.83 -0.38 0.74 -1.59 0.21 0.00 0.00 175.17 174.98 1x1f s LYS 60 N -2.02 1.56 0.32 8.23 -2.85 -1.26 -1.39 119.74 122.33 1x1f s LYS 60 Ca 0.29 -0.81 0.05 0.00 -1.00 0.00 0.00 55.97 54.51 1x1f s LYS 60 Cb -0.01 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.30 1x1f s LYS 60 CO 0.00 -0.71 0.28 -0.51 0.10 0.00 0.00 175.35 174.52 1x1f s LEU 61 N -2.87 1.61 -0.07 2.77 1.43 -0.11 -4.97 118.68 116.47 1x1f s LEU 61 Ca 0.09 -1.69 0.01 0.00 -1.03 0.00 0.00 54.13 51.51 1x1f s LEU 61 Cb -0.04 0.63 0.02 0.00 0.03 0.00 0.00 46.19 46.82 1x1f s LEU 61 CO 0.02 -1.06 -0.10 -0.62 0.23 0.00 0.00 176.35 174.82 1x1f s ASP 62 N -3.34 1.70 -0.09 2.29 2.15 -1.26 -1.97 116.67 116.15 1x1f s ASP 62 Ca 0.40 -0.27 0.13 0.00 0.43 0.00 0.00 52.55 53.24 1x1f s ASP 62 Cb 0.03 -0.76 0.22 0.00 -0.30 0.00 0.00 42.92 42.11 1x1f s ASP 62 CO 0.25 -0.02 1.11 2.30 -0.17 0.00 0.00 175.17 178.65 1x1f n ILE 63 N 4.10 1.27 0.08 4.11 -5.35 -1.16 -4.71 119.36 117.71 1x1f n ILE 63 Ca -0.21 -1.62 -0.09 0.00 -0.27 0.00 0.00 62.75 60.55 1x1f n ILE 63 Cb 0.51 0.04 -0.01 0.00 -1.74 0.00 0.00 39.64 38.43 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 2.49 1.48 -0.52 7.28 3.04 -1.85 -2.90 116.25 125.27 1x1f h VAL 64 Ca -0.01 -2.59 0.00 0.00 -1.01 0.00 0.00 66.70 63.09 1x1f h VAL 64 Cb 1.16 2.45 0.00 0.00 -2.01 0.00 0.00 31.29 32.89 1x1f h VAL 64 CO 0.00 0.76 0.00 -0.67 -1.01 0.00 0.00 177.57 176.65 1x1f n ASP 65 N -3.67 3.68 -4.56 3.17 -0.08 -1.26 -4.85 116.55 108.97 1x1f n ASP 65 Ca -0.04 -2.29 -0.60 0.00 -1.51 0.00 0.00 54.79 50.35 1x1f n ASP 65 Cb 0.81 -0.49 -0.08 0.00 2.34 0.00 0.00 41.12 43.70 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 0.88 0.48 0.04 -2.67 7.94 -1.10 -4.30 117.00 118.27 1x1f n LEU 66 Ca 0.20 1.16 -0.06 0.00 -1.11 0.00 0.00 56.01 56.20 1x1f n LEU 66 Cb 0.68 -0.95 -0.10 0.00 0.53 0.00 0.00 43.42 43.58 1x1f n LEU 66 CO 0.18 -1.56 -0.05 0.74 -1.11 0.00 0.00 177.39 175.59 1x1f h THR 67 N 3.49 1.25 0.00 1.96 2.02 0.17 -3.49 112.91 118.31 1x1f h THR 67 Ca -0.49 -2.93 0.00 0.00 0.77 0.00 0.00 66.41 63.75 1x1f h THR 67 Cb 1.40 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.41 1x1f h THR 67 CO 0.74 0.71 0.00 0.00 0.37 0.00 0.00 175.52 177.34 1x1f s LEU 69 N 0.00 1.45 0.45 0.00 0.20 -1.26 -1.94 118.68 117.57 1x1f s LEU 69 Ca 0.00 -0.17 0.08 0.00 0.69 0.00 0.00 54.13 54.72 1x1f s LEU 69 Cb 0.00 -0.55 0.01 0.00 -0.43 0.00 0.00 46.19 45.22 1x1f s LEU 69 CO 0.00 -0.02 0.51 0.42 -0.29 0.00 0.00 176.35 176.97 1x1f s THR 70 N 0.78 2.68 -0.13 3.68 -4.23 -0.94 -4.94 115.64 112.54 1x1f s THR 70 Ca -0.12 -1.16 -0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1x1f s THR 70 Cb -0.14 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 70.88 1x1f s THR 70 CO 0.01 0.00 -0.08 -1.61 -0.54 0.00 0.00 174.62 172.40 1x1f s GLU 71 N -4.30 1.60 -0.31 3.99 2.02 -1.26 -2.48 118.70 117.96 1x1f s GLU 71 Ca 0.52 -0.36 -0.23 0.00 0.02 0.00 0.00 54.97 54.92 1x1f s GLU 71 Cb -0.06 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.41 1x1f s GLU 71 CO 0.31 -0.30 0.78 -0.65 0.02 0.00 0.00 175.26 175.42 1x1f s GLN 72 N 1.66 3.96 0.23 1.61 -1.52 -0.18 -4.97 119.66 120.45 1x1f s GLN 72 Ca 0.04 0.58 -0.14 0.00 -1.95 0.00 0.00 55.36 53.89 1x1f s GLN 72 Cb -0.13 -3.73 -0.08 0.00 -0.22 0.00 0.00 33.01 28.85 1x1f s GLN 72 CO -0.08 -0.67 0.62 1.21 -0.25 0.00 0.00 175.29 176.11 1x1f s ASN 73 N 1.62 6.78 0.09 5.90 3.84 -1.26 -4.63 114.94 127.27 1x1f s ASN 73 Ca 0.32 1.12 -0.00 0.00 0.21 0.00 0.00 52.86 54.51 1x1f s ASN 73 Cb -0.14 -2.31 -0.00 0.00 -0.55 0.00 0.00 41.25 38.25 1x1f s ASN 73 CO 0.12 -0.04 -0.00 -0.24 -2.79 0.00 0.00 177.10 174.15 1x1f n SER 74 N 0.18 0.99 0.05 -4.21 2.88 -1.26 -5.06 113.62 107.19 1x1f n SER 74 Ca -0.01 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1x1f n SER 74 Cb 0.52 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -3.44 0.05 -2.70 2.46 -1.04 -1.26 -5.07 114.28 103.28 1x1f n THR 75 Ca -0.00 0.02 -0.05 0.00 -2.04 0.00 0.00 64.05 61.97 1x1f n THR 75 Cb 0.06 -0.29 0.06 0.00 -1.82 0.00 0.00 70.33 68.34 1x1f n THR 75 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1x1f n GLU 76 N -2.86 0.34 -1.39 -2.82 4.07 -1.26 -5.13 120.64 111.59 1x1f n GLU 76 Ca 0.00 -1.09 0.00 0.00 -0.06 0.00 0.00 57.16 56.01 1x1f n GLU 76 Cb 0.00 -0.63 0.00 0.00 -0.06 0.00 0.00 31.44 30.75 1x1f n GLU 76 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1x1f n LYS 77 N 1.77 -3.93 0.00 5.31 3.00 -1.26 -5.05 118.16 118.00 1x1f n LYS 77 Ca 0.06 2.95 0.00 0.00 -0.00 0.00 0.00 58.31 61.32 1x1f n LYS 77 Cb 0.67 -3.38 0.00 0.00 0.00 0.00 0.00 35.03 32.32 1x1f n LYS 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1x1f n ASN 78 N -1.18 -0.04 -4.23 3.14 2.85 -1.26 -5.07 115.26 109.48 1x1f n ASN 78 Ca 0.00 0.22 -0.13 0.00 -0.11 0.00 0.00 54.58 54.56 1x1f n ASN 78 Cb 0.07 0.25 -0.10 0.00 1.24 0.00 0.00 39.78 41.24 1x1f n ASN 78 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x1f s ALA 80 N -3.95 3.49 -0.10 0.00 0.00 -1.26 -5.02 121.76 114.91 1x1f s ALA 80 Ca 0.33 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1x1f s ALA 80 Cb 0.07 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1x1f s ALA 80 CO 0.09 -1.27 -0.01 0.15 0.00 0.00 0.00 175.76 174.72 1x1f s LYS 81 N 2.83 0.83 0.01 0.00 1.02 -1.26 -3.53 119.74 119.63 1x1f s LYS 81 Ca 0.28 -0.06 -0.11 0.00 0.02 0.00 0.00 55.97 56.10 1x1f s LYS 81 Cb -0.14 -1.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.89 1x1f s LYS 81 CO 0.14 -0.35 0.22 -0.59 -0.92 0.00 0.00 175.35 173.86 1x1f s PHE 82 N 1.89 -0.04 -0.01 3.18 -0.12 -1.16 -1.01 117.98 120.71 1x1f s PHE 82 Ca 0.04 -0.02 0.02 0.00 -0.05 0.00 0.00 56.93 56.92 1x1f s PHE 82 Cb -0.13 0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.24 1x1f s PHE 82 CO -0.06 -0.37 -0.04 0.99 -0.05 0.00 0.00 175.22 175.68 1x1f s THR 83 N -1.71 3.85 -0.38 -4.49 2.01 -1.04 -1.84 115.64 112.04 1x1f s THR 83 Ca -0.12 -0.65 -0.21 0.00 0.31 0.00 0.00 61.69 61.02 1x1f s THR 83 Cb -0.05 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.80 1x1f s THR 83 CO 0.01 0.42 0.66 -0.76 -0.69 0.00 0.00 174.62 174.27 1x1f s LEU 84 N -1.36 4.30 -0.39 4.42 2.01 0.23 -2.22 118.68 125.68 1x1f s LEU 84 Ca 0.17 0.02 -0.21 0.00 0.01 0.00 0.00 54.13 54.13 1x1f s LEU 84 Cb -0.11 -2.81 0.01 0.00 0.01 0.00 0.00 46.19 43.29 1x1f s LEU 84 CO 0.07 -0.68 0.65 -0.69 1.01 0.00 0.00 176.35 176.72 1x1f s VAL 85 N 2.82 4.85 0.22 -1.59 1.01 -0.82 -1.39 120.40 125.49 1x1f s VAL 85 Ca 0.25 0.42 0.11 0.00 0.00 0.00 0.00 61.98 62.77 1x1f s VAL 85 Cb -0.14 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1x1f s VAL 85 CO 0.17 -0.43 -0.20 -0.76 0.00 0.00 0.00 175.10 173.87 1x1f s LEU 86 N 2.79 2.56 0.00 3.92 1.43 -1.23 0.19 118.68 128.34 1x1f s LEU 86 Ca 0.24 -0.88 0.22 0.00 -1.03 0.00 0.00 54.13 52.69 1x1f s LEU 86 Cb -0.14 -1.22 1.33 0.00 0.03 0.00 0.00 46.19 46.19 1x1f s LEU 86 CO 0.17 0.09 1.72 -0.81 0.23 0.00 0.00 176.35 177.75 1x1f n PRO 87 N -0.07 0.75 -0.01 1.29 -0.04 -1.26 -3.65 135.00 132.02 1x1f n PRO 87 Ca -0.10 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1x1f n PRO 87 Cb 0.57 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.96 0.19 -3.62 0.54 5.02 -1.26 -5.10 118.16 112.97 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 -0.83 -0.07 0.00 -0.02 0.00 0.00 35.03 34.19 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 0.90 0.10 1.97 2.12 -1.24 -5.16 118.70 115.09 1x1f s GLU 89 Ca -0.11 0.10 -0.11 0.00 0.36 0.00 0.00 54.97 55.21 1x1f s GLU 89 Cb 0.02 0.42 -0.06 0.00 0.26 0.00 0.00 34.13 34.76 1x1f s GLU 89 CO 0.15 -0.27 0.45 -1.21 -0.54 0.00 0.00 175.26 173.85 1x1f s GLU 90 N -1.20 3.84 0.13 4.30 2.02 -1.26 -3.52 118.70 123.01 1x1f s GLU 90 Ca -0.12 0.28 0.05 0.00 0.02 0.00 0.00 54.97 55.21 1x1f s GLU 90 Cb -0.02 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 1x1f s GLU 90 CO 0.08 0.53 -0.13 0.08 0.02 0.00 0.00 175.26 175.84 1x1f s VAL 91 N -1.42 1.28 -0.05 2.63 1.01 -0.49 -4.94 120.40 118.42 1x1f s VAL 91 Ca 0.35 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1x1f s VAL 91 Cb -0.14 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1x1f s VAL 91 CO 0.18 -0.54 -0.02 -1.10 0.00 0.00 0.00 175.10 173.62 1x1f s GLN 92 N -3.08 2.82 -0.01 2.72 -0.21 -1.24 0.78 119.66 121.44 1x1f s GLN 92 Ca 0.12 -0.54 0.03 0.00 0.02 0.00 0.00 55.36 54.99 1x1f s GLN 92 Cb -0.02 -2.67 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 1x1f s GLN 92 CO 0.02 0.66 -0.10 -0.51 -2.12 0.00 0.00 175.29 173.24 1x1f s LEU 93 N -1.13 2.01 -0.06 2.90 1.02 -0.77 -3.05 118.68 119.60 1x1f s LEU 93 Ca 0.15 -0.18 -0.10 0.00 0.02 0.00 0.00 54.13 54.03 1x1f s LEU 93 Cb -0.11 -0.51 0.02 0.00 0.02 0.00 0.00 46.19 45.61 1x1f s LEU 93 CO 0.05 0.12 0.24 -0.75 0.02 0.00 0.00 176.35 176.03 1x1f s LYS 94 N -0.22 0.41 0.41 1.70 2.36 -1.04 -3.01 119.74 120.35 1x1f s LYS 94 Ca 0.04 0.10 0.06 0.00 -2.55 0.00 0.00 55.97 53.62 1x1f s LYS 94 Cb -0.04 0.19 -0.07 0.00 -1.05 0.00 0.00 37.83 36.85 1x1f s LYS 94 CO -0.00 -0.08 0.01 0.95 1.55 0.00 0.00 175.35 177.78 1x1f s THR 95 N -0.46 1.92 -0.30 3.43 -4.23 -1.23 -2.61 115.64 112.15 1x1f s THR 95 Ca -0.06 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.53 1x1f s THR 95 Cb -0.04 -2.94 0.46 0.00 1.34 0.00 0.00 72.50 71.32 1x1f s THR 95 CO 0.01 0.00 1.30 -0.62 -0.54 0.00 0.00 174.62 174.78 1x1f n GLU 96 N -0.98 2.86 -3.44 3.99 -0.58 -1.26 -4.74 120.64 116.49 1x1f n GLU 96 Ca -0.06 -3.78 0.02 0.00 -0.42 0.00 0.00 57.16 52.92 1x1f n GLU 96 Cb 0.67 -2.08 -0.05 0.00 -0.57 0.00 0.00 31.44 29.41 1x1f n GLU 96 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1x1f s ASN 97 N -3.24 -0.17 0.34 1.62 3.84 -1.26 -5.01 114.94 111.05 1x1f s ASN 97 Ca 0.48 0.25 0.13 0.00 0.21 0.00 0.00 52.86 53.94 1x1f s ASN 97 Cb 0.41 1.14 1.04 0.00 -0.55 0.00 0.00 41.25 43.29 1x1f s ASN 97 CO 0.01 -0.04 1.68 0.74 -2.79 0.00 0.00 177.10 176.69 1x1f h THR 98 N 5.08 0.35 0.80 -5.21 2.02 -1.92 -0.28 112.91 113.75 1x1f h THR 98 Ca -0.20 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1x1f h THR 98 Cb 1.14 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1x1f h THR 98 CO 0.15 0.07 -0.39 -0.08 0.37 0.00 0.00 175.52 175.64 1x1f h GLU 99 N 0.37 -1.04 -0.95 6.66 4.81 -2.00 -2.66 114.58 119.78 1x1f h GLU 99 Ca 0.71 0.07 0.30 0.00 -0.13 0.00 0.00 59.36 60.31 1x1f h GLU 99 Cb 1.57 0.24 -0.16 0.00 0.63 0.00 0.00 28.75 31.03 1x1f h GLU 99 CO -0.58 -0.69 0.30 0.77 -0.73 0.00 0.00 179.01 178.07 1x1f h SER 100 N -1.10 0.02 0.02 1.04 0.02 -1.49 0.29 113.55 112.35 1x1f h SER 100 Ca -0.11 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1x1f h SER 100 Cb 0.83 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1x1f h SER 100 CO 0.18 -0.26 -0.07 1.23 -1.14 0.00 0.00 176.83 176.77 1x1f h GLY 101 N 0.13 -1.13 0.88 -3.77 0.00 -0.98 0.16 103.07 98.36 1x1f h GLY 101 Ca 0.65 0.50 0.16 0.00 0.00 0.00 0.00 47.33 48.64 1x1f h GLY 101 CO -0.74 -0.41 0.41 0.83 0.00 0.00 0.00 176.54 176.63 1x1f h GLU 102 N -0.10 0.06 0.26 4.80 3.07 -0.88 0.22 114.58 122.01 1x1f h GLU 102 Ca -0.00 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1x1f h GLU 102 Cb 0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1x1f h GLU 102 CO -0.03 0.04 -0.13 0.93 -1.40 0.00 0.00 179.01 178.42 1x1f h GLU 103 N 0.06 -0.34 0.78 2.33 5.08 0.53 0.33 114.58 123.35 1x1f h GLU 103 Ca 0.27 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1x1f h GLU 103 Cb 1.01 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1x1f h GLU 103 CO -0.02 -0.23 -0.46 -1.49 -1.00 0.00 0.00 179.01 175.82 1x1f h TRP 104 N -0.36 -1.21 -0.95 4.33 4.06 -0.33 0.89 115.95 122.38 1x1f h TRP 104 Ca -0.04 -0.02 0.17 0.00 2.06 0.00 0.00 58.89 61.07 1x1f h TRP 104 Cb 0.27 0.43 -0.17 0.00 -1.00 0.00 0.00 29.16 28.69 1x1f h TRP 104 CO 0.17 -0.69 -0.30 -2.13 -3.56 0.00 0.00 178.44 171.92 1x1f n ARG 105 N -5.34 -0.15 0.11 0.49 0.63 0.75 0.15 116.66 113.29 1x1f n ARG 105 Ca -0.14 1.47 -0.13 0.00 -0.92 0.00 0.00 57.85 58.12 1x1f n ARG 105 Cb 0.47 -2.18 -0.08 0.00 0.45 0.00 0.00 32.46 31.12 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 -0.30 0.13 5.14 0.00 0.02 -0.59 103.07 107.47 1x1f h GLY 106 Ca 0.39 0.11 0.17 0.00 0.00 0.00 0.00 47.33 48.01 1x1f h GLY 106 CO -0.96 -0.11 0.48 0.74 0.00 0.00 0.00 176.54 176.69 1x1f h PHE 107 N -0.62 0.84 0.68 5.60 0.04 0.37 0.30 116.94 124.15 1x1f h PHE 107 Ca -0.03 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1x1f h PHE 107 Cb 0.45 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.37 1x1f h PHE 107 CO 0.03 0.16 -0.33 0.82 -0.60 0.00 0.00 178.31 178.39 1x1f h ILE 108 N 0.63 0.00 -0.80 -0.55 5.03 0.15 -0.90 117.51 121.07 1x1f h ILE 108 Ca 0.51 -0.31 0.23 0.00 -0.12 0.00 0.00 64.86 65.17 1x1f h ILE 108 Cb 0.79 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.55 1x1f h ILE 108 CO -0.40 0.00 0.89 -0.07 -0.68 0.00 0.00 178.15 177.90 1x1f h LEU 109 N -1.22 0.00 0.24 1.44 3.38 -0.50 1.64 115.31 120.29 1x1f h LEU 109 Ca -0.09 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.55 1x1f h LEU 109 Cb 0.70 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.48 1x1f h LEU 109 CO 0.15 0.00 -1.42 0.74 0.09 0.00 0.00 178.44 178.00 1x1f h THR 110 N 0.00 1.29 -0.58 0.22 2.02 -0.56 0.37 112.91 115.66 1x1f h THR 110 Ca 0.38 -2.67 -0.28 0.00 0.77 0.00 0.00 66.41 64.61 1x1f h THR 110 Cb 2.16 3.05 -0.17 0.00 -1.74 0.00 0.00 68.15 71.46 1x1f h THR 110 CO -0.00 0.80 0.36 1.33 0.37 0.00 0.00 175.52 178.37 1x1f n VAL 111 N -3.76 2.28 0.00 3.16 0.24 0.54 -2.53 118.33 118.26 1x1f n VAL 111 Ca -0.17 -1.14 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 1x1f n VAL 111 Cb 1.07 -0.64 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 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 -0.41 0.00 0.48 3.34 -2.24 0.02 -4.73 114.28 110.75 1x1f n THR 112 Ca 0.35 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.25 1x1f n THR 112 Cb 1.18 -0.17 0.20 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.11 -0.78 5.08 -0.41 -3.47 114.58 113.88 1x1f h GLU 113 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1x1f h GLU 113 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1x1f h GLU 113 CO 0.00 0.00 -0.25 1.28 -1.00 0.00 0.00 179.01 179.04 1x1f n LEU 114 N -2.33 -1.20 0.00 1.33 7.99 -1.05 -4.96 117.00 116.78 1x1f n LEU 114 Ca 0.03 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 1x1f n LEU 114 Cb 0.46 -1.75 0.00 0.00 -0.11 0.00 0.00 43.42 42.02 1x1f n LEU 114 CO 0.35 -0.30 0.00 -0.24 -1.51 0.00 0.00 177.39 175.69 1x1f n SER 115 N 0.06 0.00 -3.83 -1.43 2.88 -1.24 -5.02 113.62 105.04 1x1f n SER 115 Ca -0.12 -0.02 -0.23 0.00 -1.33 0.00 0.00 58.87 57.18 1x1f n SER 115 Cb 0.50 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.50 0.51 -0.07 2.46 1.01 -1.26 -4.08 120.40 117.48 1x1f s VAL 116 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1x1f s VAL 116 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1x1f s VAL 116 CO 0.00 0.27 1.23 -2.16 0.00 0.00 0.00 175.10 174.43 1x1f s PRO 117 N 1.63 4.33 0.06 2.72 0.04 -1.26 -4.90 135.00 137.62 1x1f s PRO 117 Ca 0.00 1.70 0.26 0.00 0.04 0.00 0.00 61.00 63.00 1x1f s PRO 117 Cb -0.13 -3.59 0.68 0.00 0.04 0.00 0.00 34.50 31.50 1x1f s PRO 117 CO -0.04 -0.49 1.56 1.04 0.04 0.00 0.00 177.00 179.10 1x1f n GLN 118 N 5.41 0.12 -2.20 4.56 1.13 -1.26 -4.25 117.38 120.88 1x1f n GLN 118 Ca 0.12 0.05 -0.41 0.00 -1.94 0.00 0.00 57.00 54.82 1x1f n GLN 118 Cb 0.46 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.22 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x1f n ASN 119 N -1.77 6.88 -3.97 1.08 3.02 -1.26 -4.90 115.26 114.34 1x1f n ASN 119 Ca 0.05 -3.18 -0.17 0.00 -0.03 0.00 0.00 54.58 51.26 1x1f n ASN 119 Cb 0.38 -1.39 -0.15 0.00 -0.61 0.00 0.00 39.78 38.01 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 -0.88 0.52 -1.53 2.41 -7.23 -1.26 -5.01 120.40 107.43 1x1f s VAL 120 Ca 0.47 -0.27 0.29 0.00 -1.81 0.00 0.00 61.98 60.66 1x1f s VAL 120 Cb 0.15 -0.45 0.57 0.00 0.56 0.00 0.00 36.38 37.21 1x1f s VAL 120 CO -0.05 0.15 2.03 -0.24 -0.31 0.00 0.00 175.10 176.69 1x1f n SER 121 N 3.00 0.00 -3.48 4.85 2.88 -1.26 -4.85 113.62 114.76 1x1f n SER 121 Ca -0.14 -0.27 -0.21 0.00 -1.33 0.00 0.00 58.87 56.93 1x1f n SER 121 Cb 0.57 -0.24 0.19 0.00 -0.75 0.00 0.00 64.21 63.98 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 -1.24 -0.99 0.00 2.46 4.32 -1.26 -5.03 117.00 115.26 1x1f n LEU 122 Ca 0.15 -0.53 -0.16 0.00 -0.02 0.00 0.00 56.01 55.45 1x1f n LEU 122 Cb 0.21 -0.83 0.01 0.00 -1.62 0.00 0.00 43.42 41.19 1x1f n LEU 122 CO 0.21 -3.65 0.11 0.18 -1.22 0.00 0.00 177.39 173.01 1x1f n LEU 123 N -2.59 0.00 0.23 2.23 4.77 -1.26 -4.92 117.00 115.45 1x1f n LEU 123 Ca 0.08 -1.78 0.12 0.00 -0.03 0.00 0.00 56.01 54.40 1x1f n LEU 123 Cb 0.40 -0.11 0.38 0.00 -2.33 0.00 0.00 43.42 41.77 1x1f n LEU 123 CO 0.27 -0.52 0.82 1.55 -1.33 0.00 0.00 177.39 178.18 1x1f h PRO 124 N 0.00 0.00 0.00 3.23 0.13 -1.99 0.75 132.00 134.13 1x1f h PRO 124 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1x1f h PRO 124 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1x1f h PRO 124 CO 0.32 0.11 -0.46 0.78 -0.23 0.00 0.00 178.00 178.52 1x1f h GLY 125 N 2.88 0.00 0.21 1.56 0.00 -2.01 -3.20 103.07 102.51 1x1f h GLY 125 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1x1f h GLY 125 CO 0.01 0.00 -2.25 -1.06 0.00 0.00 0.00 176.54 173.25 1x1f n GLN 126 N -2.90 0.68 -0.33 4.80 1.13 -1.10 -4.29 117.38 115.38 1x1f n GLN 126 Ca 0.02 0.22 0.05 0.00 -1.94 0.00 0.00 57.00 55.35 1x1f n GLN 126 Cb 0.54 -1.60 0.20 0.00 0.11 0.00 0.00 30.24 29.49 1x1f n GLN 126 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1x1f h VAL 127 N -0.13 0.92 -0.73 5.09 2.07 -0.98 -1.12 116.25 121.37 1x1f h VAL 127 Ca -0.52 -0.31 0.14 0.00 0.82 0.00 0.00 66.70 66.83 1x1f h VAL 127 Cb 1.89 -0.05 -0.14 0.00 -1.52 0.00 0.00 31.29 31.46 1x1f h VAL 127 CO -0.07 0.16 -0.22 0.40 0.02 0.00 0.00 177.57 177.87 1x1f h ILE 128 N 0.90 0.23 -0.70 4.57 2.04 -1.74 0.11 117.51 122.92 1x1f h ILE 128 Ca 0.44 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.38 1x1f h ILE 128 Cb 0.41 0.23 -0.11 0.00 -0.74 0.00 0.00 36.82 36.61 1x1f h ILE 128 CO -0.25 0.00 -0.53 0.11 0.00 0.00 0.00 178.15 177.48 1x1f h LYS 129 N -0.03 -0.19 -0.85 2.37 1.79 -1.40 0.86 116.57 119.13 1x1f h LYS 129 Ca 0.34 0.01 0.22 0.00 -2.18 0.00 0.00 60.65 59.04 1x1f h LYS 129 Cb 0.55 0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 31.11 1x1f h LYS 129 CO -0.77 -0.12 0.21 -0.07 -1.08 0.00 0.00 179.45 177.62 1x1f h LEU 130 N -0.19 -0.02 0.50 2.94 3.38 -0.85 1.70 115.31 122.76 1x1f h LEU 130 Ca 0.15 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1x1f h LEU 130 Cb 0.52 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1x1f h LEU 130 CO -0.77 -0.13 -0.24 0.45 0.09 0.00 0.00 178.44 177.84 1x1f h HIS 131 N 0.22 -0.62 0.87 1.13 3.86 0.11 0.24 115.15 120.95 1x1f h HIS 131 Ca 0.52 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.67 1x1f h HIS 131 Cb 1.00 0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1x1f h HIS 131 CO -0.28 -0.35 -0.47 0.93 0.86 0.00 0.00 177.93 178.63 1x1f h GLU 132 N -0.75 -1.18 -0.73 2.45 5.08 0.24 -2.46 114.58 117.23 1x1f h GLU 132 Ca -0.07 0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1x1f h GLU 132 Cb 0.55 0.27 -0.13 0.00 0.50 0.00 0.00 28.75 29.94 1x1f h GLU 132 CO 0.11 -0.79 -0.07 0.28 -1.00 0.00 0.00 179.01 177.55 1x1f h VAL 133 N -1.23 0.32 -0.12 3.13 2.07 0.24 -0.43 116.25 120.23 1x1f h VAL 133 Ca -0.12 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1x1f h VAL 133 Cb 0.96 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1x1f h VAL 133 CO 0.16 0.01 -0.12 0.25 0.02 0.00 0.00 177.57 177.89 1x1f h LEU 134 N 0.06 -0.41 -0.59 2.57 5.85 -0.24 0.36 115.31 122.92 1x1f h LEU 134 Ca 0.38 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.27 1x1f h LEU 134 Cb 0.65 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.73 1x1f h LEU 134 CO -0.69 -0.07 -0.29 -0.33 -0.34 0.00 0.00 178.44 176.72 1x1f h GLU 135 N -0.06 -0.12 -1.23 1.25 5.08 -0.80 0.75 114.58 119.45 1x1f h GLU 135 Ca 0.02 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.76 1x1f h GLU 135 Cb 0.11 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.28 1x1f h GLU 135 CO -0.14 -0.08 0.80 0.00 -1.00 0.00 0.00 179.01 178.58 1x1f h ARG 136 N -0.13 0.18 0.03 2.33 -0.00 0.30 0.18 114.38 117.27 1x1f h ARG 136 Ca 0.25 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.98 59.64 1x1f h ARG 136 Cb 0.53 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 30.46 1x1f h ARG 136 CO -0.66 0.12 -0.41 1.49 0.00 0.00 0.00 179.97 180.51 1x1f h GLU 137 N 0.19 0.06 -1.52 0.04 4.57 0.23 -3.30 114.58 114.85 1x1f h GLU 137 Ca 0.72 -0.11 0.49 0.00 -1.18 0.00 0.00 59.36 59.29 1x1f h GLU 137 Cb 2.20 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 30.71 1x1f h GLU 137 CO -0.34 1.05 1.03 1.63 -1.18 0.00 0.00 179.01 181.21 1x1f n LYS 138 N -4.46 -0.02 0.02 1.92 5.02 0.96 0.19 118.16 121.78 1x1f n LYS 138 Ca -0.15 1.13 -0.01 0.00 -2.02 0.00 0.00 58.31 57.27 1x1f n LYS 138 Cb 0.59 -2.36 -0.00 0.00 -0.02 0.00 0.00 35.03 33.24 1x1f n LYS 138 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1x1f h LYS 139 N 0.00 -0.04 0.00 1.97 6.56 -1.43 -2.96 116.57 120.67 1x1f h LYS 139 Ca 0.86 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.45 1x1f h LYS 139 Cb 3.03 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 34.70 1x1f h LYS 139 CO -0.28 -0.03 0.08 -0.09 -2.06 0.00 0.00 179.45 177.07 1x1f h ARG 140 N -0.07 0.00 0.00 3.15 2.43 -0.65 0.28 114.38 119.53 1x1f h ARG 140 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1x1f h ARG 140 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1x1f h ARG 140 CO 0.01 0.00 -0.25 0.07 -1.51 0.00 0.00 179.97 178.28 1x1f h ARG 141 N 0.00 0.00 0.00 0.20 -0.00 0.22 -3.25 114.38 111.55 1x1f h ARG 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1x1f h ARG 141 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.13 1x1f h ARG 141 CO 0.00 0.25 0.00 -0.89 -0.00 0.00 0.00 179.97 179.33 1x1f n ILE 142 N -3.49 0.00 0.00 0.08 5.41 0.99 -3.12 119.36 119.23 1x1f n ILE 142 Ca -0.00 0.89 0.00 0.00 1.00 0.00 0.00 62.75 64.63 1x1f n ILE 142 Cb 0.42 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 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 -0.55 0.00 -4.48 0.38 1.02 -1.25 -4.35 120.64 111.40 1x1f n GLU 143 Ca 0.00 0.96 -0.34 0.00 -0.02 0.00 0.00 57.16 57.76 1x1f n GLU 143 Cb 0.00 -1.45 -0.11 0.00 -0.02 0.00 0.00 31.44 29.86 1x1f n GLU 143 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1x1f s SER 144 N -3.00 4.81 0.00 1.62 0.01 -1.23 -5.07 113.70 110.85 1x1f s SER 144 Ca 0.00 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1x1f s SER 144 Cb 0.00 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.70 1x1f s SER 144 CO 0.00 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1x1f n GLY 145 N 2.87 -1.14 3.68 3.44 0.00 -1.18 -3.85 105.19 109.01 1x1f n GLY 145 Ca -0.18 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.35 4.30 0.12 1.61 0.04 -1.26 -4.57 135.00 133.89 1x1f s PRO 146 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1x1f s PRO 146 Cb 0.00 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1x1f s PRO 146 CO 0.00 -0.56 0.00 0.45 0.04 0.00 0.00 177.00 176.93 1x1f n SER 147 N 5.76 -8.14 -4.72 6.66 2.88 -1.26 -4.98 113.62 109.82 1x1f n SER 147 Ca 0.12 1.33 -0.35 0.00 -1.33 0.00 0.00 58.87 58.64 1x1f n SER 147 Cb 0.45 -4.52 -0.08 0.00 -0.75 0.00 0.00 64.21 59.31 1x1f n SER 147 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x1f s SER 148 N -0.47 5.86 0.00 -3.46 0.15 -1.26 -5.15 113.70 109.38 1x1f s SER 148 Ca 0.00 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1x1f s SER 148 Cb 0.00 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1x1f s SER 148 CO 0.00 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.32