#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 3.29 -0.36 1.61 0.01 -1.26 -5.09 113.70 111.91 1x1f s SER 2 Ca 0.00 -0.42 0.06 0.00 1.31 0.00 0.00 55.95 56.90 1x1f s SER 2 Cb 0.00 -0.45 0.18 0.00 0.21 0.00 0.00 66.02 65.96 1x1f s SER 2 CO 0.00 0.32 0.56 -0.55 0.41 0.00 0.00 173.24 173.98 1x1f s SER 3 N -0.72 -0.97 -0.15 2.44 0.15 -1.26 -5.05 113.70 108.14 1x1f s SER 3 Ca 0.11 -0.57 -0.05 0.00 0.70 0.00 0.00 55.95 56.13 1x1f s SER 3 Cb -0.10 1.70 0.02 0.00 -1.71 0.00 0.00 66.02 65.93 1x1f s SER 3 CO -0.00 -0.24 0.11 0.61 1.20 0.00 0.00 173.24 174.91 1x1f n GLY 4 N 4.79 -3.24 3.15 9.45 0.00 -1.26 -5.05 105.19 113.04 1x1f n GLY 4 Ca 0.08 0.88 0.05 0.00 0.00 0.00 0.00 46.02 47.03 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 -0.80 -0.53 -0.30 1.61 0.15 -1.26 -5.12 113.70 107.44 1x1f s SER 5 Ca -0.12 0.12 -0.15 0.00 0.70 0.00 0.00 55.95 56.50 1x1f s SER 5 Cb 0.01 1.36 0.19 0.00 -1.71 0.00 0.00 66.02 65.86 1x1f s SER 5 CO 0.52 -0.10 1.16 -0.94 1.20 0.00 0.00 173.24 175.09 1x1f s SER 6 N 2.95 -0.03 0.00 5.45 1.04 -1.26 -5.09 113.70 116.75 1x1f s SER 6 Ca 0.20 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1x1f s SER 6 Cb -0.04 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1x1f s SER 6 CO -0.21 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1x1f n GLY 7 N 4.12 -0.91 2.01 7.32 0.00 -1.26 -5.10 105.19 111.37 1x1f n GLY 7 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1x1f n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x1f n GLN 8 N 0.00 0.00 -1.68 1.61 -0.06 -1.26 -5.07 117.38 110.92 1x1f n GLN 8 Ca 0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.57 1x1f n GLN 8 Cb 0.00 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.15 1x1f n GLN 8 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1x1f n GLU 9 N -3.34 2.75 -0.00 3.69 1.02 -1.26 -4.89 120.64 118.61 1x1f n GLU 9 Ca 0.00 1.01 -0.13 0.00 -0.02 0.00 0.00 57.16 58.02 1x1f n GLU 9 Cb 0.00 -2.92 -0.10 0.00 -0.02 0.00 0.00 31.44 28.40 1x1f n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x1f h ARG 10 N 9.45 -0.02 0.00 3.49 2.47 -2.02 -3.46 114.38 124.29 1x1f h ARG 10 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1x1f h ARG 10 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1x1f h ARG 10 CO 0.94 0.42 0.00 1.28 0.56 0.00 0.00 179.97 183.18 1x1f n LEU 11 N -4.89 0.00 -0.40 3.04 4.77 -1.26 -4.05 117.00 114.21 1x1f n LEU 11 Ca -0.08 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.82 1x1f n LEU 11 Cb 0.23 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1x1f n LEU 11 CO 0.33 0.00 0.52 0.50 -1.33 0.00 0.00 177.39 177.41 1x1f h LYS 12 N 0.00 -0.01 0.00 3.23 3.64 -2.02 -3.42 116.57 117.99 1x1f h LYS 12 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x1f h LYS 12 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1x1f h LYS 12 CO 0.00 -0.01 0.00 -0.89 -2.27 0.00 0.00 179.45 176.28 1x1f n ILE 13 N -5.34 0.00 -2.66 2.00 2.08 -1.26 -4.77 119.36 109.42 1x1f n ILE 13 Ca 0.05 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.36 1x1f n ILE 13 Cb 0.31 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 39.20 1x1f n ILE 13 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1x1f n THR 14 N 0.00-11.70 -3.53 1.39 -1.04 -1.26 -4.99 114.28 93.16 1x1f n THR 14 Ca 0.00 1.82 -0.27 0.00 -2.04 0.00 0.00 64.05 63.56 1x1f n THR 14 Cb 0.00 -6.81 -0.09 0.00 -1.82 0.00 0.00 70.33 61.61 1x1f n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x1f n ALA 15 N 0.72 3.48 -3.87 2.41 0.00 -1.26 -5.05 120.51 116.94 1x1f n ALA 15 Ca -0.02 -4.30 -0.34 0.00 0.00 0.00 0.00 53.44 48.79 1x1f n ALA 15 Cb 0.03 -0.91 -0.15 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.68 3.20 -0.19 0.00 1.43 -1.26 -4.98 118.68 115.20 1x1f s LEU 16 Ca 0.34 -1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.10 1x1f s LEU 16 Cb 0.08 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1x1f s LEU 16 CO -0.10 -0.14 1.29 -2.16 0.23 0.00 0.00 176.35 175.47 1x1f s PRO 17 N 1.24 4.16 0.61 1.29 0.04 -1.26 -4.67 135.00 136.42 1x1f s PRO 17 Ca -0.03 1.60 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 1x1f s PRO 17 Cb -0.17 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 1x1f s PRO 17 CO -0.05 -0.81 1.12 -0.11 0.04 0.00 0.00 177.00 177.19 1x1f n LEU 18 N 6.87 4.73 0.00 -3.56 7.94 -1.26 -2.64 117.00 129.08 1x1f n LEU 18 Ca 0.14 0.83 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1x1f n LEU 18 Cb 0.45 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.93 1x1f n LEU 18 CO 0.58 -1.42 -0.26 -1.22 -1.11 0.00 0.00 177.39 173.95 1x1f n TYR 19 N -1.73 0.00 -3.73 1.96 4.01 -0.33 -4.91 117.16 112.43 1x1f n TYR 19 Ca 0.14 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.75 1x1f n TYR 19 Cb 0.47 0.15 -0.08 0.00 -0.31 0.00 0.00 39.34 39.58 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 -1.83 -0.23 -0.05 -0.72 5.36 -1.22 -5.04 117.98 114.24 1x1f s PHE 20 Ca 0.00 0.34 -0.10 0.00 -0.96 0.00 0.00 56.93 56.20 1x1f s PHE 20 Cb 0.00 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 1x1f s PHE 20 CO 0.00 -0.43 0.24 -1.83 -1.46 0.00 0.00 175.22 171.74 1x1f s GLU 21 N -1.47 0.44 0.00 10.12 1.03 -1.26 -0.37 118.70 127.19 1x1f s GLU 21 Ca -0.12 0.04 0.00 0.00 0.03 0.00 0.00 54.97 54.92 1x1f s GLU 21 Cb -0.04 0.20 0.00 0.00 -0.80 0.00 0.00 34.13 33.49 1x1f s GLU 21 CO 0.04 -0.09 0.00 0.41 -1.33 0.00 0.00 175.26 174.29 1x1f n GLY 22 N 2.16 2.22 3.44 -3.83 0.00 -1.13 -5.05 105.19 103.00 1x1f n GLY 22 Ca -0.17 0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.10 0.77 -4.14 1.61 3.72 -1.26 -4.18 117.46 113.88 1x1f n PHE 23 Ca 0.00 0.46 -0.31 0.00 -0.05 0.00 0.00 57.45 57.56 1x1f n PHE 23 Cb 0.00 -2.37 -0.08 0.00 -0.94 0.00 0.00 39.48 36.09 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 8.34 3.53 -0.19 4.37 2.96 -1.17 -4.75 118.68 131.75 1x1f s LEU 24 Ca 1.30 -0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 55.00 1x1f s LEU 24 Cb -1.27 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.16 1x1f s LEU 24 CO 0.52 0.19 0.11 -0.76 -1.32 0.00 0.00 176.35 175.10 1x1f s LEU 25 N -2.20 4.12 -0.13 -0.68 1.43 -0.40 -3.14 118.68 117.69 1x1f s LEU 25 Ca 0.25 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1x1f s LEU 25 Cb -0.12 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1x1f s LEU 25 CO 0.18 0.18 -0.12 -0.63 0.23 0.00 0.00 176.35 176.19 1x1f s ILE 26 N 0.33 3.18 -0.58 -0.59 -1.09 -0.94 -2.13 121.20 119.38 1x1f s ILE 26 Ca 0.07 -0.62 0.06 0.00 -2.23 0.00 0.00 60.65 57.93 1x1f s ILE 26 Cb -0.11 -2.34 0.24 0.00 -1.58 0.00 0.00 42.46 38.66 1x1f s ILE 26 CO -0.01 0.52 0.64 1.17 -1.23 0.00 0.00 174.94 176.03 1x1f n LYS 27 N 3.46 1.89 -0.69 2.79 4.81 -1.15 -1.51 118.16 127.76 1x1f n LYS 27 Ca -0.18 -4.23 -0.27 0.00 -0.87 0.00 0.00 58.31 52.76 1x1f n LYS 27 Cb 0.53 -1.98 0.12 0.00 0.02 0.00 0.00 35.03 33.72 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 1.22 -1.43 -0.14 1.64 1.74 -1.26 -3.51 116.66 114.92 1x1f n ARG 28 Ca 0.27 -0.41 -0.04 0.00 -0.77 0.00 0.00 57.85 56.90 1x1f n ARG 28 Cb 0.43 -1.43 0.05 0.00 -1.02 0.00 0.00 32.46 30.49 1x1f n ARG 28 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1x1f h SER 29 N -2.07 0.01 -2.70 0.55 0.02 -1.98 -3.14 113.55 104.23 1x1f h SER 29 Ca -0.37 0.08 -0.68 0.00 -0.84 0.00 0.00 61.79 59.97 1x1f h SER 29 Cb 1.08 0.11 -0.37 0.00 0.14 0.00 0.00 62.40 63.36 1x1f h SER 29 CO 0.25 0.04 -0.12 0.61 -1.14 0.00 0.00 176.83 176.46 1x1f n GLY 30 N -1.27 4.69 2.94 -3.77 0.00 -1.26 -5.00 105.19 101.53 1x1f n GLY 30 Ca 0.04 -2.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.07 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 -2.24 2.03 0.52 1.61 1.51 -1.19 -4.98 117.35 114.61 1x1f s TYR 31 Ca 0.34 -1.30 0.46 0.00 -1.01 0.00 0.00 57.07 55.56 1x1f s TYR 31 Cb 0.06 -1.47 1.62 0.00 -0.11 0.00 0.00 41.96 42.06 1x1f s TYR 31 CO -0.02 -0.67 1.48 -2.13 -1.11 0.00 0.00 175.55 173.10 1x1f n ARG 32 N 4.79 -0.00 0.00 -0.62 3.00 -1.26 -4.67 116.66 117.90 1x1f n ARG 32 Ca -0.13 1.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.76 1x1f n ARG 32 Cb 0.47 -2.37 0.00 0.00 0.00 0.00 0.00 32.46 30.56 1x1f n ARG 32 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1x1f n GLU 33 N -3.90 -0.11 -1.67 -0.14 0.28 -1.26 -5.12 120.64 108.72 1x1f n GLU 33 Ca 0.42 0.00 -0.50 0.00 -0.16 0.00 0.00 57.16 56.92 1x1f n GLU 33 Cb 1.88 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 34.69 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 -0.30 2.13 -3.95 -1.84 4.01 -1.26 -4.79 117.16 111.16 1x1f n TYR 34 Ca 0.00 0.28 -0.36 0.00 -0.16 0.00 0.00 57.90 57.66 1x1f n TYR 34 Cb 0.00 -2.54 -0.08 0.00 -0.31 0.00 0.00 39.34 36.41 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 2.64 3.64 -0.24 -0.72 0.41 -0.57 -4.87 118.70 118.98 1x1f s GLU 35 Ca 0.89 -0.24 -0.22 0.00 -0.41 0.00 0.00 54.97 55.00 1x1f s GLU 35 Cb -0.81 -3.18 -0.02 0.00 -1.78 0.00 0.00 34.13 28.34 1x1f s GLU 35 CO 0.51 0.56 0.69 -1.01 -0.49 0.00 0.00 175.26 175.52 1x1f s HIS 36 N -0.43 3.30 -0.14 1.61 3.76 -1.26 -2.21 115.29 119.93 1x1f s HIS 36 Ca 0.11 0.92 -0.11 0.00 -0.15 0.00 0.00 55.06 55.83 1x1f s HIS 36 Cb -0.12 -2.89 0.04 0.00 1.11 0.00 0.00 32.58 30.72 1x1f s HIS 36 CO 0.02 -0.32 0.37 0.71 -0.85 0.00 0.00 174.74 174.66 1x1f s TYR 37 N 2.51 -0.46 -0.83 1.40 2.02 -1.19 -4.94 117.35 115.86 1x1f s TYR 37 Ca 0.29 1.06 -0.26 0.00 -0.37 0.00 0.00 57.07 57.79 1x1f s TYR 37 Cb -0.15 0.17 -0.13 0.00 -0.40 0.00 0.00 41.96 41.44 1x1f s TYR 37 CO 0.08 -0.24 2.33 -0.46 -1.57 0.00 0.00 175.55 175.69 1x1f s TRP 38 N 0.64 1.23 0.10 2.71 -0.11 0.49 -3.06 118.94 120.93 1x1f s TRP 38 Ca -0.04 1.85 -0.27 0.00 1.22 0.00 0.00 56.10 58.86 1x1f s TRP 38 Cb -0.05 -3.50 -0.06 0.00 -1.50 0.00 0.00 33.47 28.36 1x1f s TRP 38 CO -0.04 -1.52 0.86 0.99 -4.62 0.00 0.00 176.95 172.62 1x1f s THR 39 N 14.42 4.56 -0.09 5.86 2.01 -1.26 -0.10 115.64 141.04 1x1f s THR 39 Ca 0.89 1.84 0.02 0.00 0.31 0.00 0.00 61.69 64.76 1x1f s THR 39 Cb -0.11 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.19 1x1f s THR 39 CO 0.08 0.37 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.62 1x1f s GLU 40 N -0.22 2.08 -0.27 4.92 2.02 0.37 -2.82 118.70 124.78 1x1f s GLU 40 Ca 0.42 -0.53 -0.19 0.00 0.02 0.00 0.00 54.97 54.69 1x1f s GLU 40 Cb -0.22 -1.72 -0.02 0.00 0.10 0.00 0.00 34.13 32.27 1x1f s GLU 40 CO 0.27 0.01 0.57 -1.17 0.02 0.00 0.00 175.26 174.95 1x1f s LEU 41 N 0.77 4.08 -0.03 1.80 0.20 0.50 -1.36 118.68 124.65 1x1f s LEU 41 Ca -0.12 0.53 0.00 0.00 0.69 0.00 0.00 54.13 55.24 1x1f s LEU 41 Cb -0.16 -2.74 0.03 0.00 -0.43 0.00 0.00 46.19 42.89 1x1f s LEU 41 CO 0.02 -0.35 0.00 -0.13 -0.29 0.00 0.00 176.35 175.60 1x1f s ARG 42 N 2.42 0.32 1.54 1.98 0.52 -1.20 -1.18 118.95 123.35 1x1f s ARG 42 Ca 0.23 0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 1x1f s ARG 42 Cb -0.15 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 34.78 1x1f s ARG 42 CO 0.10 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.67 1x1f n GLY 43 N 4.29 0.41 0.83 -3.53 0.00 -1.08 -0.01 105.19 106.10 1x1f n GLY 43 Ca -0.23 0.58 0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.96 2.61 -2.24 -1.26 -4.83 114.28 104.60 1x1f n THR 44 Ca 0.00 -0.29 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 1x1f n THR 44 Cb 0.00 0.57 -0.17 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.31 -0.24 4.28 2.01 0.98 -3.58 115.64 120.40 1x1f s THR 45 Ca 0.10 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 1x1f s THR 45 Cb 0.11 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.36 1x1f s THR 45 CO -0.05 0.41 1.10 -0.76 -0.69 0.00 0.00 174.62 174.62 1x1f s LEU 46 N 1.59 4.07 -0.24 4.42 1.43 0.38 -3.22 118.68 127.12 1x1f s LEU 46 Ca 0.05 1.36 -0.05 0.00 -1.03 0.00 0.00 54.13 54.46 1x1f s LEU 46 Cb -0.13 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1x1f s LEU 46 CO -0.09 -0.74 0.00 -0.36 0.23 0.00 0.00 176.35 175.39 1x1f s PHE 47 N 3.38 3.03 -0.13 0.29 0.08 -0.46 0.16 117.98 124.34 1x1f s PHE 47 Ca 0.47 -0.86 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 1x1f s PHE 47 Cb -0.16 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 1x1f s PHE 47 CO 0.10 -0.52 0.10 -0.06 -0.10 0.00 0.00 175.22 174.73 1x1f s PHE 48 N 1.50 3.43 0.26 0.36 0.08 0.42 0.14 117.98 124.18 1x1f s PHE 48 Ca 0.05 0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.50 1x1f s PHE 48 Cb -0.15 -1.94 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 1x1f s PHE 48 CO -0.01 0.57 0.06 0.71 -0.10 0.00 0.00 175.22 176.45 1x1f s TYR 49 N -0.72 1.62 -0.09 0.36 2.02 0.86 -1.15 117.35 120.26 1x1f s TYR 49 Ca 0.13 -1.06 -0.26 0.00 -0.37 0.00 0.00 57.07 55.51 1x1f s TYR 49 Cb -0.12 -0.98 -0.27 0.00 -0.40 0.00 0.00 41.96 40.19 1x1f s TYR 49 CO 0.03 -0.18 0.86 1.79 -1.57 0.00 0.00 175.55 176.48 1x1f h THR 50 N 2.36 1.66 0.00 -0.71 1.35 -1.92 1.44 112.91 117.08 1x1f h THR 50 Ca -0.39 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 1x1f h THR 50 Cb 1.24 3.22 0.00 0.00 -1.73 0.00 0.00 68.15 70.88 1x1f h THR 50 CO 0.64 0.63 0.00 -0.67 -0.25 0.00 0.00 175.52 175.87 1x1f n ASP 51 N -4.43 0.00 0.08 5.36 -0.08 -1.26 -4.11 116.55 112.11 1x1f n ASP 51 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1x1f n ASP 51 Cb 0.60 0.08 0.00 0.00 2.34 0.00 0.00 41.12 44.14 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 -2.36 0.00 -0.59 -0.67 4.81 -1.26 -4.69 118.16 113.40 1x1f n LYS 52 Ca 0.00 0.00 0.47 0.00 -0.87 0.00 0.00 58.31 57.91 1x1f n LYS 52 Cb 0.00 0.00 0.77 0.00 0.02 0.00 0.00 35.03 35.82 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 0.02 -6.20 1.64 6.56 -2.03 -3.39 116.57 113.17 1x1f h LYS 53 Ca 0.00 -0.00 -0.69 0.00 -1.06 0.00 0.00 60.65 58.90 1x1f h LYS 53 Cb 0.00 -0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.67 1x1f h LYS 53 CO 0.00 0.01 0.96 0.45 -2.06 0.00 0.00 179.45 178.81 1x1f n SER 54 N -4.21 2.74 -0.08 0.86 2.88 -1.26 -4.86 113.62 109.69 1x1f n SER 54 Ca 0.41 1.04 -0.17 0.00 -1.33 0.00 0.00 58.87 58.82 1x1f n SER 54 Cb 1.77 -1.23 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 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 5.22 1.25 -2.70 2.46 1.08 -2.03 -3.42 117.51 119.36 1x1f h ILE 55 Ca -0.47 -2.16 -0.67 0.00 -0.39 0.00 0.00 64.86 61.17 1x1f h ILE 55 Cb 1.30 2.58 -0.17 0.00 -3.07 0.00 0.00 36.82 37.46 1x1f h ILE 55 CO 0.95 0.42 0.47 -0.63 -0.69 0.00 0.00 178.15 178.67 1x1f s ILE 56 N -2.26 4.59 0.07 -0.67 -1.09 -1.26 -4.99 121.20 115.59 1x1f s ILE 56 Ca -0.23 -0.87 -0.31 0.00 -2.23 0.00 0.00 60.65 57.02 1x1f s ILE 56 Cb 0.01 -4.64 -0.16 0.00 -1.58 0.00 0.00 42.46 36.09 1x1f s ILE 56 CO 0.60 -1.36 0.74 0.00 -1.23 0.00 0.00 174.94 173.69 1x1f n TYR 57 N 6.95 0.17 -0.20 3.97 4.11 -1.26 -4.80 117.16 126.09 1x1f n TYR 57 Ca 0.01 0.89 -0.02 0.00 -0.00 0.00 0.00 57.90 58.78 1x1f n TYR 57 Cb 0.45 -1.78 0.09 0.00 -0.00 0.00 0.00 39.34 38.11 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 1.92 0.90 -3.12 -3.48 3.04 -1.47 -3.45 116.25 110.59 1x1f h VAL 58 Ca -0.37 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.12 1x1f h VAL 58 Cb 1.25 0.31 -0.12 0.00 -2.01 0.00 0.00 31.29 30.72 1x1f h VAL 58 CO 0.54 0.10 0.13 -1.81 -1.01 0.00 0.00 177.57 175.52 1x1f s ASP 59 N -5.49 -0.45 0.19 3.17 1.01 -1.01 -5.04 116.67 109.05 1x1f s ASP 59 Ca -0.13 -0.15 -0.04 0.00 0.71 0.00 0.00 52.55 52.95 1x1f s ASP 59 Cb 0.16 0.58 -0.03 0.00 1.01 0.00 0.00 42.92 44.63 1x1f s ASP 59 CO 0.75 -0.97 0.20 -1.59 0.21 0.00 0.00 175.17 173.77 1x1f s LYS 60 N -3.78 1.21 0.09 8.23 -2.85 -1.26 0.16 119.74 121.53 1x1f s LYS 60 Ca 0.03 -1.47 -0.09 0.00 -1.00 0.00 0.00 55.97 53.43 1x1f s LYS 60 Cb -0.01 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1x1f s LYS 60 CO -0.11 -0.42 0.20 -0.51 0.10 0.00 0.00 175.35 174.62 1x1f s LEU 61 N -3.09 1.36 -0.09 2.77 1.43 0.43 -4.94 118.68 116.55 1x1f s LEU 61 Ca 0.31 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1x1f s LEU 61 Cb 0.05 1.07 0.01 0.00 0.03 0.00 0.00 46.19 47.36 1x1f s LEU 61 CO 0.08 -0.72 -0.15 -0.62 0.23 0.00 0.00 176.35 175.17 1x1f s ASP 62 N -2.78 2.27 -0.12 2.29 -1.08 -1.26 0.15 116.67 116.13 1x1f s ASP 62 Ca 0.04 -0.39 0.15 0.00 -0.52 0.00 0.00 52.55 51.82 1x1f s ASP 62 Cb 0.04 -1.03 0.33 0.00 -1.46 0.00 0.00 42.92 40.80 1x1f s ASP 62 CO -0.10 0.04 1.16 2.30 0.52 0.00 0.00 175.17 179.09 1x1f n ILE 63 N 3.97 1.41 -0.12 4.11 -5.35 -1.23 -4.75 119.36 117.40 1x1f n ILE 63 Ca -0.20 -2.12 -0.13 0.00 -0.27 0.00 0.00 62.75 60.02 1x1f n ILE 63 Cb 0.52 0.10 -0.02 0.00 -1.74 0.00 0.00 39.64 38.49 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 2.67 1.28 -0.33 7.28 3.04 -1.81 -2.45 116.25 125.93 1x1f h VAL 64 Ca -0.04 -1.48 -0.00 0.00 -1.01 0.00 0.00 66.70 64.16 1x1f h VAL 64 Cb 1.23 1.39 -0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1x1f h VAL 64 CO 0.02 0.49 0.01 0.47 -1.01 0.00 0.00 177.57 177.55 1x1f n ASP 65 N -4.14 3.65 -4.62 3.17 8.00 -1.26 -4.85 116.55 116.50 1x1f n ASP 65 Ca -0.02 -2.53 -0.49 0.00 0.71 0.00 0.00 54.79 52.46 1x1f n ASP 65 Cb 0.50 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1x1f n LEU 66 N 0.34 2.24 0.09 0.64 7.94 -0.92 -4.31 117.00 123.02 1x1f n LEU 66 Ca 0.16 1.11 -0.17 0.00 -1.11 0.00 0.00 56.01 56.00 1x1f n LEU 66 Cb 0.79 -1.29 -0.14 0.00 0.53 0.00 0.00 43.42 43.30 1x1f n LEU 66 CO 0.19 -0.77 -0.14 0.74 -1.11 0.00 0.00 177.39 176.29 1x1f h THR 67 N 3.33 1.39 0.00 1.96 2.02 0.94 -3.49 112.91 119.06 1x1f h THR 67 Ca -0.46 -2.97 0.00 0.00 0.77 0.00 0.00 66.41 63.75 1x1f h THR 67 Cb 1.30 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.61 1x1f h THR 67 CO 0.80 0.87 0.00 0.00 0.37 0.00 0.00 175.52 177.56 1x1f s LEU 69 N 0.00 1.49 0.39 0.00 2.96 -1.26 -1.95 118.68 120.31 1x1f s LEU 69 Ca 0.00 -0.21 0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1x1f s LEU 69 Cb 0.00 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 1x1f s LEU 69 CO 0.00 -0.01 0.37 0.42 -1.32 0.00 0.00 176.35 175.81 1x1f s THR 70 N 0.78 3.02 -0.16 3.68 -4.23 -0.90 -4.93 115.64 112.90 1x1f s THR 70 Ca -0.13 -1.31 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1x1f s THR 70 Cb -0.15 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.66 1x1f s THR 70 CO 0.02 -0.06 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.38 1x1f s GLU 71 N -4.11 1.36 -0.18 3.99 2.02 -1.26 -1.91 118.70 118.61 1x1f s GLU 71 Ca 0.46 -0.48 -0.29 0.00 0.02 0.00 0.00 54.97 54.68 1x1f s GLU 71 Cb -0.05 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 1x1f s GLU 71 CO 0.28 -0.43 1.84 -0.65 0.02 0.00 0.00 175.26 176.32 1x1f s GLN 72 N 1.66 3.66 -0.04 1.61 1.11 -0.63 -4.96 119.66 122.06 1x1f s GLN 72 Ca 0.01 1.91 -0.06 0.00 0.01 0.00 0.00 55.36 57.23 1x1f s GLN 72 Cb -0.15 -4.16 0.01 0.00 -1.01 0.00 0.00 33.01 27.70 1x1f s GLN 72 CO -0.08 -1.48 0.15 -0.80 0.01 0.00 0.00 175.29 173.10 1x1f s ASN 73 N 5.42 -0.11 0.00 5.90 -0.87 -1.26 -4.85 114.94 119.16 1x1f s ASN 73 Ca 0.82 0.18 0.00 0.00 -1.57 0.00 0.00 52.86 52.30 1x1f s ASN 73 Cb -0.30 0.29 0.00 0.00 -0.02 0.00 0.00 41.25 41.22 1x1f s ASN 73 CO 0.33 -0.13 0.00 -1.20 -2.57 0.00 0.00 177.10 173.53 1x1f n SER 74 N 2.63 0.00 -4.59 -1.22 7.64 -1.26 -5.14 113.62 111.68 1x1f n SER 74 Ca -0.15 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.43 1x1f n SER 74 Cb 0.58 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.68 1x1f n SER 74 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x1f s THR 75 N 0.00 3.49 -0.91 0.44 2.01 -1.26 -5.00 115.64 114.41 1x1f s THR 75 Ca 0.00 -1.15 -0.28 0.00 0.31 0.00 0.00 61.69 60.57 1x1f s THR 75 Cb 0.00 -2.62 -0.21 0.00 0.01 0.00 0.00 72.50 69.69 1x1f s THR 75 CO 0.00 0.16 2.59 1.21 -0.69 0.00 0.00 174.62 177.89 1x1f n GLU 76 N 0.83 0.19 -3.02 4.92 2.13 -1.26 -4.84 120.64 119.59 1x1f n GLU 76 Ca -0.13 -0.02 -0.13 0.00 0.66 0.00 0.00 57.16 57.54 1x1f n GLU 76 Cb 0.52 -1.83 -0.02 0.00 0.27 0.00 0.00 31.44 30.38 1x1f n GLU 76 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1x1f n LYS 77 N 8.28 1.49 -3.97 5.31 3.00 -1.26 -5.17 118.16 125.84 1x1f n LYS 77 Ca 0.61 -1.46 -0.10 0.00 -0.00 0.00 0.00 58.31 57.36 1x1f n LYS 77 Cb 0.14 0.38 -0.04 0.00 0.00 0.00 0.00 35.03 35.51 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 -2.12 0.08 0.58 3.14 3.84 -1.26 -5.13 114.94 114.07 1x1f s ASN 78 Ca 0.01 -1.01 0.00 0.00 0.21 0.00 0.00 52.86 52.06 1x1f s ASN 78 Cb -0.00 0.66 0.00 0.00 -0.55 0.00 0.00 41.25 41.36 1x1f s ASN 78 CO 0.00 -1.28 0.00 0.00 -2.79 0.00 0.00 177.10 173.04 1x1f s ALA 80 N -4.48 3.45 -0.13 0.00 0.00 -1.26 -5.01 121.76 114.32 1x1f s ALA 80 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 1x1f s ALA 80 Cb 0.00 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.68 1x1f s ALA 80 CO 0.00 -0.62 0.03 0.15 0.00 0.00 0.00 175.76 175.32 1x1f s LYS 81 N 1.69 0.51 0.05 0.00 1.02 -1.26 -4.00 119.74 117.75 1x1f s LYS 81 Ca 0.58 -0.12 -0.00 0.00 0.02 0.00 0.00 55.97 56.44 1x1f s LYS 81 Cb -0.27 -1.54 -0.03 0.00 -0.52 0.00 0.00 37.83 35.46 1x1f s LYS 81 CO 0.26 -0.50 -0.04 -0.59 -0.92 0.00 0.00 175.35 173.56 1x1f s PHE 82 N 1.96 0.52 0.03 3.18 -0.12 -1.12 -1.61 117.98 120.82 1x1f s PHE 82 Ca 0.02 -0.87 0.06 0.00 -0.05 0.00 0.00 56.93 56.09 1x1f s PHE 82 Cb -0.15 -0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 41.85 1x1f s PHE 82 CO -0.07 -0.28 -0.15 0.99 -0.05 0.00 0.00 175.22 175.67 1x1f s THR 83 N -3.08 3.04 -0.59 -4.49 2.01 -0.80 -0.99 115.64 110.73 1x1f s THR 83 Ca 0.01 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 60.71 1x1f s THR 83 Cb 0.02 -2.30 0.07 0.00 0.01 0.00 0.00 72.50 70.30 1x1f s THR 83 CO -0.06 0.34 0.83 -0.76 -0.69 0.00 0.00 174.62 174.28 1x1f s LEU 84 N -1.47 4.70 -0.61 4.42 2.01 0.50 -2.11 118.68 126.13 1x1f s LEU 84 Ca 0.16 -0.98 -0.28 0.00 0.01 0.00 0.00 54.13 53.04 1x1f s LEU 84 Cb -0.11 -2.46 0.02 0.00 0.01 0.00 0.00 46.19 43.65 1x1f s LEU 84 CO 0.06 -1.22 1.40 -0.69 1.01 0.00 0.00 176.35 176.92 1x1f s VAL 85 N 3.42 3.76 0.20 -1.59 1.01 -0.82 -2.20 120.40 124.18 1x1f s VAL 85 Ca 0.19 0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.85 1x1f s VAL 85 Cb -0.18 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 1x1f s VAL 85 CO 0.11 -1.31 0.01 -0.76 0.00 0.00 0.00 175.10 173.15 1x1f s LEU 86 N 6.14 3.33 0.00 3.92 1.43 -1.24 0.14 118.68 132.40 1x1f s LEU 86 Ca 0.49 -0.44 0.21 0.00 -1.03 0.00 0.00 54.13 53.37 1x1f s LEU 86 Cb -0.10 -1.94 1.26 0.00 0.03 0.00 0.00 46.19 45.44 1x1f s LEU 86 CO 0.22 0.06 1.67 -0.81 0.23 0.00 0.00 176.35 177.73 1x1f n PRO 87 N -0.36 0.75 0.00 1.29 -0.04 -1.26 -3.67 135.00 131.71 1x1f n PRO 87 Ca -0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.34 1x1f n PRO 87 Cb 0.56 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.94 0.17 -3.62 0.54 5.02 -1.26 -5.10 118.16 112.97 1x1f n LYS 88 Ca 0.16 0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.36 1x1f n LYS 88 Cb 0.07 -0.79 -0.07 0.00 -0.02 0.00 0.00 35.03 34.22 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 -2.28 0.89 0.16 1.97 2.12 -1.24 -5.16 118.70 115.17 1x1f s GLU 89 Ca -0.09 0.13 -0.16 0.00 0.36 0.00 0.00 54.97 55.20 1x1f s GLU 89 Cb 0.02 0.41 -0.07 0.00 0.26 0.00 0.00 34.13 34.75 1x1f s GLU 89 CO 0.14 -0.26 0.60 -1.21 -0.54 0.00 0.00 175.26 173.99 1x1f s GLU 90 N -1.14 4.08 -0.02 4.30 8.01 -1.26 -3.60 118.70 129.08 1x1f s GLU 90 Ca -0.11 0.63 0.03 0.00 0.01 0.00 0.00 54.97 55.52 1x1f s GLU 90 Cb -0.02 -2.95 -0.00 0.00 -4.31 0.00 0.00 34.13 26.84 1x1f s GLU 90 CO 0.07 0.47 -0.09 0.08 0.01 0.00 0.00 175.26 175.81 1x1f s VAL 91 N -1.44 0.75 0.16 2.63 1.01 -0.93 -4.28 120.40 118.31 1x1f s VAL 91 Ca 0.38 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1x1f s VAL 91 Cb -0.16 -0.65 -0.06 0.00 0.00 0.00 0.00 36.38 35.51 1x1f s VAL 91 CO 0.20 0.22 0.47 -1.10 0.00 0.00 0.00 175.10 174.89 1x1f s GLN 92 N -0.03 3.76 -0.02 2.72 -0.21 -1.23 0.19 119.66 124.83 1x1f s GLN 92 Ca 0.01 0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.57 1x1f s GLN 92 Cb -0.06 -2.81 0.01 0.00 1.00 0.00 0.00 33.01 31.16 1x1f s GLN 92 CO -0.00 0.43 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.06 1x1f s LEU 93 N -2.49 1.53 -0.04 2.90 1.02 -0.16 -2.92 118.68 118.53 1x1f s LEU 93 Ca 0.41 -0.08 -0.05 0.00 0.02 0.00 0.00 54.13 54.43 1x1f s LEU 93 Cb -0.12 -0.30 0.01 0.00 0.02 0.00 0.00 46.19 45.80 1x1f s LEU 93 CO 0.21 -0.03 0.14 -0.75 0.02 0.00 0.00 176.35 175.95 1x1f s LYS 94 N 0.56 0.22 0.00 1.70 2.36 -0.91 -2.80 119.74 120.86 1x1f s LYS 94 Ca -0.06 0.10 0.00 0.00 -2.55 0.00 0.00 55.97 53.45 1x1f s LYS 94 Cb -0.10 0.10 0.00 0.00 -1.05 0.00 0.00 37.83 36.78 1x1f s LYS 94 CO -0.01 -0.03 0.00 0.25 1.55 0.00 0.00 175.35 177.11 1x1f n THR 95 N 2.75 0.00 -0.01 3.43 -2.24 -1.26 -1.27 114.28 115.68 1x1f n THR 95 Ca -0.14 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 1x1f n THR 95 Cb 0.58 -0.30 -0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.16 0.07 -2.55 -0.78 1.02 -1.26 -4.92 120.64 112.04 1x1f n GLU 96 Ca 0.00 0.14 -0.25 0.00 -0.02 0.00 0.00 57.16 57.03 1x1f n GLU 96 Cb 0.00 -0.73 0.03 0.00 -0.02 0.00 0.00 31.44 30.72 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 -4.07 5.47 0.03 1.62 0.01 -1.26 -4.88 114.94 111.86 1x1f s ASN 97 Ca -0.03 0.44 -0.20 0.00 -0.71 0.00 0.00 52.86 52.36 1x1f s ASN 97 Cb 0.00 -1.42 -0.15 0.00 0.41 0.00 0.00 41.25 40.09 1x1f s ASN 97 CO 0.05 -1.07 1.31 0.74 -1.51 0.00 0.00 177.10 176.61 1x1f h THR 98 N -0.06 1.36 0.11 1.60 2.02 -1.96 -3.11 112.91 112.87 1x1f h THR 98 Ca -0.45 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.34 1x1f h THR 98 Cb 1.27 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 1x1f h THR 98 CO 0.58 0.41 -0.30 -0.08 0.37 0.00 0.00 175.52 176.51 1x1f h GLU 99 N -0.03 -0.43 -1.59 6.66 4.81 -2.01 0.31 114.58 122.29 1x1f h GLU 99 Ca 0.01 0.03 0.48 0.00 -0.13 0.00 0.00 59.36 59.76 1x1f h GLU 99 Cb 0.74 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.13 1x1f h GLU 99 CO 0.04 -0.29 1.10 0.77 -0.73 0.00 0.00 179.01 179.90 1x1f h SER 100 N -0.45 0.10 0.42 1.04 0.02 -1.98 0.14 113.55 112.84 1x1f h SER 100 Ca -0.01 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1x1f h SER 100 Cb 0.44 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1x1f h SER 100 CO -0.14 -0.07 -0.34 1.23 -1.14 0.00 0.00 176.83 176.36 1x1f h GLY 101 N 0.04 -1.06 0.57 -3.77 0.00 -0.86 -2.05 103.07 95.94 1x1f h GLY 101 Ca 0.83 0.47 0.18 0.00 0.00 0.00 0.00 47.33 48.80 1x1f h GLY 101 CO -0.18 -0.34 0.52 0.83 0.00 0.00 0.00 176.54 177.37 1x1f h GLU 102 N -0.74 0.29 0.11 4.80 3.07 -0.55 -1.80 114.58 119.77 1x1f h GLU 102 Ca -0.05 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1x1f h GLU 102 Cb 0.62 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1x1f h GLU 102 CO 0.00 0.19 -0.19 1.49 -1.40 0.00 0.00 179.01 179.10 1x1f h GLU 103 N 0.30 -0.31 0.15 2.33 4.81 -0.76 0.63 114.58 121.73 1x1f h GLU 103 Ca 0.38 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1x1f h GLU 103 Cb 1.05 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1x1f h GLU 103 CO -0.10 -0.21 -0.23 -1.49 -0.73 0.00 0.00 179.01 176.25 1x1f h TRP 104 N -0.32 -0.66 -0.88 0.92 4.06 -0.93 0.19 115.95 118.33 1x1f h TRP 104 Ca -0.01 0.01 0.34 0.00 2.06 0.00 0.00 58.89 61.29 1x1f h TRP 104 Cb 0.30 0.27 -0.16 0.00 -1.00 0.00 0.00 29.16 28.57 1x1f h TRP 104 CO -0.25 -0.29 0.38 -2.13 -3.56 0.00 0.00 178.44 172.59 1x1f n ARG 105 N -3.75 -0.06 0.27 0.49 0.63 -0.72 0.88 116.66 114.41 1x1f n ARG 105 Ca -0.05 1.24 -0.11 0.00 -0.92 0.00 0.00 57.85 58.01 1x1f n ARG 105 Cb 0.20 -2.17 -0.05 0.00 0.45 0.00 0.00 32.46 30.88 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 -0.76 0.26 5.14 0.00 0.17 0.99 103.07 108.87 1x1f h GLY 106 Ca 0.70 0.28 0.17 0.00 0.00 0.00 0.00 47.33 48.49 1x1f h GLY 106 CO -0.71 -0.28 0.61 0.74 0.00 0.00 0.00 176.54 176.90 1x1f h PHE 107 N -0.97 1.00 0.65 5.60 0.04 0.24 -1.06 116.94 122.44 1x1f h PHE 107 Ca -0.07 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1x1f h PHE 107 Cb 0.56 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.41 1x1f h PHE 107 CO 0.03 0.28 -0.31 0.82 -0.60 0.00 0.00 178.31 178.53 1x1f h ILE 108 N 0.76 0.00 -1.03 -0.55 5.03 0.51 -0.39 117.51 121.84 1x1f h ILE 108 Ca 0.54 -0.22 0.30 0.00 -0.12 0.00 0.00 64.86 65.36 1x1f h ILE 108 Cb 0.83 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.58 1x1f h ILE 108 CO -0.31 0.00 1.00 -0.07 -0.68 0.00 0.00 178.15 178.09 1x1f h LEU 109 N -1.09 0.00 0.12 1.44 3.38 -0.21 1.44 115.31 120.39 1x1f h LEU 109 Ca -0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.69 1x1f h LEU 109 Cb 0.67 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.44 1x1f h LEU 109 CO 0.15 0.00 -0.82 0.74 0.09 0.00 0.00 178.44 178.60 1x1f h THR 110 N 0.00 1.48 -0.43 0.22 2.02 -0.75 0.25 112.91 115.70 1x1f h THR 110 Ca 0.49 -2.46 -0.23 0.00 0.77 0.00 0.00 66.41 64.98 1x1f h THR 110 Cb 2.49 3.07 -0.13 0.00 -1.74 0.00 0.00 68.15 71.84 1x1f h THR 110 CO -0.01 0.70 0.29 1.33 0.37 0.00 0.00 175.52 178.21 1x1f n VAL 111 N -4.12 1.98 0.00 3.16 0.24 0.47 -2.14 118.33 117.93 1x1f n VAL 111 Ca -0.13 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.32 1x1f n VAL 111 Cb 0.81 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 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 -0.20 0.00 0.47 3.34 -2.24 -0.10 -4.57 114.28 110.99 1x1f n THR 112 Ca 0.26 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 1x1f n THR 112 Cb 1.00 -0.20 0.18 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.40 -0.78 5.08 -0.61 -3.46 114.58 114.40 1x1f h GLU 113 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1x1f h GLU 113 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1x1f h GLU 113 CO 0.00 0.00 -0.16 1.28 -1.00 0.00 0.00 179.01 179.13 1x1f n LEU 114 N -2.31 -0.56 -4.13 1.33 7.99 -0.91 -4.97 117.00 113.44 1x1f n LEU 114 Ca 0.03 0.21 -0.15 0.00 -0.01 0.00 0.00 56.01 56.09 1x1f n LEU 114 Cb 0.46 -1.56 -0.06 0.00 -0.11 0.00 0.00 43.42 42.15 1x1f n LEU 114 CO 0.36 -0.50 0.05 -0.55 -1.51 0.00 0.00 177.39 175.25 1x1f s SER 115 N -2.79 0.89 -0.19 -1.43 0.15 -1.24 -5.03 113.70 104.06 1x1f s SER 115 Ca 0.00 -1.48 -0.05 0.00 0.70 0.00 0.00 55.95 55.12 1x1f s SER 115 Cb 0.00 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1x1f s SER 115 CO 0.00 -1.19 0.00 -0.69 1.20 0.00 0.00 173.24 172.56 1x1f s VAL 116 N -3.34 4.07 -0.25 4.45 1.01 -1.26 -3.89 120.40 121.19 1x1f s VAL 116 Ca 0.33 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1x1f s VAL 116 Cb 0.01 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1x1f s VAL 116 CO 0.20 0.45 1.32 -2.16 0.00 0.00 0.00 175.10 174.90 1x1f s PRO 117 N 0.77 4.01 0.17 2.72 0.04 -1.26 -4.87 135.00 136.58 1x1f s PRO 117 Ca 0.00 1.43 0.23 0.00 0.04 0.00 0.00 61.00 62.71 1x1f s PRO 117 Cb -0.14 -3.86 0.15 0.00 0.04 0.00 0.00 34.50 30.69 1x1f s PRO 117 CO 0.02 -1.00 1.17 1.96 0.04 0.00 0.00 177.00 179.19 1x1f h GLN 118 N 9.06 0.00 -0.82 4.56 4.20 -2.02 -3.28 115.11 126.82 1x1f h GLN 118 Ca -0.27 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.34 1x1f h GLN 118 Cb 1.11 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.83 1x1f h GLN 118 CO 1.01 0.00 0.13 0.27 -0.67 0.00 0.00 178.83 179.57 1x1f n ASN 119 N -2.42 3.84 -2.36 1.46 6.94 -1.26 -4.90 115.26 116.55 1x1f n ASN 119 Ca 0.02 -2.72 -0.05 0.00 -0.02 0.00 0.00 54.58 51.81 1x1f n ASN 119 Cb 0.50 -0.65 0.04 0.00 -2.36 0.00 0.00 39.78 37.31 1x1f n ASN 119 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1x1f n VAL 120 N 0.11 0.00 -0.02 3.53 3.14 -1.24 -5.04 118.33 118.82 1x1f n VAL 120 Ca 0.24 -0.16 -0.02 0.00 -2.96 0.00 0.00 64.34 61.44 1x1f n VAL 120 Cb 0.97 -1.83 -0.02 0.00 -1.06 0.00 0.00 33.84 31.90 1x1f n VAL 120 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1x1f n SER 121 N -3.17 4.15 -4.01 6.55 2.88 -1.26 -5.05 113.62 113.71 1x1f n SER 121 Ca 0.03 -0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.20 1x1f n SER 121 Cb 0.10 0.47 0.04 0.00 -0.75 0.00 0.00 64.21 64.07 1x1f n SER 121 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1x1f n LEU 122 N -2.19 -5.91 -4.60 2.46 7.94 -1.26 -4.89 117.00 108.55 1x1f n LEU 122 Ca -0.05 0.20 -0.28 0.00 -1.11 0.00 0.00 56.01 54.76 1x1f n LEU 122 Cb 0.60 -0.77 0.21 0.00 0.53 0.00 0.00 43.42 43.99 1x1f n LEU 122 CO 0.06 -5.99 0.59 -0.76 -1.11 0.00 0.00 177.39 170.18 1x1f s LEU 123 N 7.80 1.21 0.00 -1.96 2.01 -1.26 -4.80 118.68 121.68 1x1f s LEU 123 Ca 0.41 1.28 0.22 0.00 0.01 0.00 0.00 54.13 56.06 1x1f s LEU 123 Cb -0.19 -3.33 1.08 0.00 0.01 0.00 0.00 46.19 43.75 1x1f s LEU 123 CO 0.82 -3.62 1.73 -0.81 1.01 0.00 0.00 176.35 175.48 1x1f n PRO 124 N -4.51 0.22 -0.08 1.29 -0.04 -1.26 -2.17 135.00 128.45 1x1f n PRO 124 Ca 0.04 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1x1f n PRO 124 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1x1f n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1f n GLY 125 N 0.68 -0.70 0.17 0.55 0.00 -1.26 -4.24 105.19 100.38 1x1f n GLY 125 Ca 0.09 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 0.01 0.53 -1.03 1.61 1.08 -1.88 -3.12 115.11 112.31 1x1f h GLN 126 Ca -0.50 -0.42 0.27 0.00 -1.45 0.00 0.00 58.65 56.55 1x1f h GLN 126 Cb 2.06 0.08 -0.12 0.00 -0.05 0.00 0.00 27.48 29.45 1x1f h GLN 126 CO 0.00 1.05 0.63 0.28 -0.95 0.00 0.00 178.83 179.84 1x1f h VAL 127 N 0.14 0.48 -0.93 -0.54 2.07 -1.65 0.69 116.25 116.51 1x1f h VAL 127 Ca -0.03 -0.16 0.24 0.00 0.82 0.00 0.00 66.70 67.57 1x1f h VAL 127 Cb 1.13 -0.03 -0.13 0.00 -1.52 0.00 0.00 31.29 30.75 1x1f h VAL 127 CO 0.10 0.09 0.45 0.40 0.02 0.00 0.00 177.57 178.63 1x1f h ILE 128 N 0.47 0.46 -0.53 4.57 2.04 -1.72 0.37 117.51 123.17 1x1f h ILE 128 Ca 0.65 -0.14 0.11 0.00 1.00 0.00 0.00 64.86 66.47 1x1f h ILE 128 Cb 1.43 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.41 1x1f h ILE 128 CO -0.43 0.08 -0.15 0.11 0.00 0.00 0.00 178.15 177.75 1x1f h LYS 129 N 0.42 -0.02 -0.44 2.37 1.79 0.25 0.18 116.57 121.11 1x1f h LYS 129 Ca 0.60 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 59.13 1x1f h LYS 129 Cb 1.18 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.78 1x1f h LYS 129 CO -0.54 -0.02 0.14 -0.07 -1.08 0.00 0.00 179.45 177.89 1x1f h LEU 130 N -0.02 0.12 -0.16 2.94 3.38 -0.35 1.68 115.31 122.90 1x1f h LEU 130 Ca 0.25 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.33 1x1f h LEU 130 Cb 0.41 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1x1f h LEU 130 CO -0.56 0.10 -0.40 0.45 0.09 0.00 0.00 178.44 178.13 1x1f h HIS 131 N 0.30 -1.13 0.39 1.13 3.86 -0.20 1.50 115.15 121.00 1x1f h HIS 131 Ca 0.21 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.45 1x1f h HIS 131 Cb 0.22 0.52 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1x1f h HIS 131 CO -0.17 -0.46 -0.19 0.93 0.86 0.00 0.00 177.93 178.91 1x1f h GLU 132 N -0.46 -0.51 -1.09 2.45 5.08 -0.47 -2.57 114.58 117.01 1x1f h GLU 132 Ca 0.09 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 58.78 1x1f h GLU 132 Cb 0.61 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.88 1x1f h GLU 132 CO -0.40 -0.20 0.72 0.28 -1.00 0.00 0.00 179.01 178.41 1x1f h VAL 133 N -0.87 0.46 0.00 3.13 2.07 0.27 0.12 116.25 121.43 1x1f h VAL 133 Ca -0.05 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1x1f h VAL 133 Cb 0.55 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1x1f h VAL 133 CO 0.09 0.05 0.00 -0.11 0.02 0.00 0.00 177.57 177.62 1x1f n LEU 134 N -4.54 0.12 -0.14 2.57 7.94 0.51 -2.22 117.00 121.23 1x1f n LEU 134 Ca 0.26 0.71 0.27 0.00 -1.11 0.00 0.00 56.01 56.15 1x1f n LEU 134 Cb 1.00 -0.25 0.56 0.00 0.53 0.00 0.00 43.42 45.26 1x1f n LEU 134 CO 0.28 -0.25 1.25 -0.33 -1.11 0.00 0.00 177.39 177.22 1x1f h GLU 135 N 0.00 0.00 -0.59 1.96 5.08 -1.01 1.79 114.58 121.82 1x1f h GLU 135 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1x1f h GLU 135 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1x1f h GLU 135 CO 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 179.01 178.09 1x1f h ARG 136 N 0.00 0.95 0.02 2.33 2.47 -0.47 -2.69 114.38 117.00 1x1f h ARG 136 Ca 0.42 -0.24 -0.29 0.00 -1.26 0.00 0.00 59.98 58.61 1x1f h ARG 136 Cb 2.37 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 30.53 1x1f h ARG 136 CO -0.00 0.89 -1.65 1.05 0.56 0.00 0.00 179.97 180.81 1x1f h GLU 137 N 0.90 0.04 -0.73 0.04 4.11 0.31 -3.33 114.58 115.92 1x1f h GLU 137 Ca 0.18 -0.08 0.17 0.00 0.07 0.00 0.00 59.36 59.71 1x1f h GLU 137 Cb 0.41 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1x1f h GLU 137 CO 0.01 0.66 0.50 0.87 0.07 0.00 0.00 179.01 181.13 1x1f h LYS 138 N 0.01 0.24 -0.06 1.06 1.57 -0.68 0.73 116.57 119.44 1x1f h LYS 138 Ca -0.27 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1x1f h LYS 138 Cb 1.99 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.25 1x1f h LYS 138 CO 0.09 0.16 0.02 0.87 -0.57 0.00 0.00 179.45 180.02 1x1f h LYS 139 N 0.24 0.09 -1.08 3.15 6.56 -1.59 -2.51 116.57 121.44 1x1f h LYS 139 Ca 0.36 -0.02 0.30 0.00 -1.06 0.00 0.00 60.65 60.23 1x1f h LYS 139 Cb 1.06 -0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.59 1x1f h LYS 139 CO -0.08 0.26 0.68 0.00 -2.06 0.00 0.00 179.45 178.24 1x1f h ARG 140 N -0.09 0.35 -0.97 3.15 3.08 -1.01 0.76 114.38 119.64 1x1f h ARG 140 Ca 0.02 -0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.23 1x1f h ARG 140 Cb 0.20 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.08 1x1f h ARG 140 CO -0.00 0.23 0.61 0.00 -1.07 0.00 0.00 179.97 179.74 1x1f h ARG 141 N 0.36 0.67 0.00 0.04 2.47 -1.22 -1.95 114.38 114.75 1x1f h ARG 141 Ca 0.66 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.34 1x1f h ARG 141 Cb 1.68 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.85 1x1f h ARG 141 CO -0.39 0.44 0.00 -0.89 0.56 0.00 0.00 179.97 179.69 1x1f n ILE 142 N -4.67 0.00 0.02 2.04 5.41 0.26 -0.83 119.36 121.60 1x1f n ILE 142 Ca 0.22 1.05 -0.14 0.00 1.00 0.00 0.00 62.75 64.87 1x1f n ILE 142 Cb 0.58 -1.60 -0.08 0.00 -0.71 0.00 0.00 39.64 37.82 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1x1f h GLU 143 N 0.00 -0.56 -4.08 0.38 5.08 -1.66 -3.26 114.58 110.47 1x1f h GLU 143 Ca 0.00 0.04 -0.77 0.00 -1.00 0.00 0.00 59.36 57.63 1x1f h GLU 143 Cb 0.00 0.13 -0.24 0.00 0.50 0.00 0.00 28.75 29.14 1x1f h GLU 143 CO 0.00 -0.38 0.19 0.45 -1.00 0.00 0.00 179.01 178.28 1x1f s SER 144 N -4.82 6.67 0.00 1.42 0.15 -0.75 -4.96 113.70 111.42 1x1f s SER 144 Ca -0.16 -2.47 0.00 0.00 0.70 0.00 0.00 55.95 54.03 1x1f s SER 144 Cb 0.08 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1x1f s SER 144 CO 0.62 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1x1f n GLY 145 N 4.37 0.19 3.80 9.45 0.00 -0.01 -4.06 105.19 118.93 1x1f n GLY 145 Ca 0.12 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 3.72 -0.01 1.61 0.04 -1.26 -4.98 135.00 132.12 1x1f s PRO 146 Ca 0.00 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1x1f s PRO 146 Cb 0.00 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1x1f s PRO 146 CO 0.00 -0.49 0.33 -1.12 0.04 0.00 0.00 177.00 175.76 1x1f s SER 147 N -2.16 6.64 0.27 6.66 0.01 -1.26 -4.94 113.70 118.92 1x1f s SER 147 Ca 0.66 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1x1f s SER 147 Cb -0.16 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1x1f s SER 147 CO 0.23 0.31 0.00 -1.20 0.41 0.00 0.00 173.24 172.99 1x1f n SER 148 N 1.60 -0.59 0.00 2.44 7.64 -1.26 -5.31 113.62 118.14 1x1f n SER 148 Ca -0.14 0.46 0.02 0.00 1.01 0.00 0.00 58.87 60.23 1x1f n SER 148 Cb 0.53 0.73 0.13 0.00 -1.01 0.00 0.00 64.21 64.60 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64