#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 -0.41 -0.30 1.61 0.15 -1.26 -5.18 113.70 108.31 1x1f s SER 2 Ca 0.00 -0.03 -0.26 0.00 0.70 0.00 0.00 55.95 56.36 1x1f s SER 2 Cb 0.00 0.46 0.19 0.00 -1.71 0.00 0.00 66.02 64.96 1x1f s SER 2 CO 0.00 -0.76 1.44 -0.55 1.20 0.00 0.00 173.24 174.57 1x1f s SER 3 N -2.60 -0.04 0.00 5.45 0.15 -1.26 -5.15 113.70 110.26 1x1f s SER 3 Ca 0.04 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1x1f s SER 3 Cb -0.01 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1x1f s SER 3 CO -0.09 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1x1f n GLY 4 N 1.39 0.26 1.62 9.45 0.00 -1.26 -5.13 105.19 111.52 1x1f n GLY 4 Ca -0.09 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1x1f n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x1f n SER 5 N 0.00 -8.71 -4.14 1.61 2.88 -1.26 -4.89 113.62 99.11 1x1f n SER 5 Ca 0.00 1.25 -0.35 0.00 -1.33 0.00 0.00 58.87 58.44 1x1f n SER 5 Cb 0.00 -4.81 -0.13 0.00 -0.75 0.00 0.00 64.21 58.52 1x1f n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x1f s SER 6 N -3.19 5.06 0.00 -3.46 0.01 -1.26 -5.02 113.70 105.84 1x1f s SER 6 Ca 0.00 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 55.60 1x1f s SER 6 Cb 0.00 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1x1f s SER 6 CO 0.00 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1x1f n GLY 7 N 4.59 2.09 3.23 3.44 0.00 -1.26 -5.15 105.19 112.12 1x1f n GLY 7 Ca -0.07 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.50 1x1f n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x1f s GLN 8 N 1.62 0.56 0.10 1.61 0.74 -1.26 -5.15 119.66 117.88 1x1f s GLN 8 Ca 0.00 1.07 -0.19 0.00 0.05 0.00 0.00 55.36 56.29 1x1f s GLN 8 Cb 0.00 0.58 -0.07 0.00 1.10 0.00 0.00 33.01 34.62 1x1f s GLN 8 CO 0.00 -0.54 0.60 -1.83 -0.55 0.00 0.00 175.29 172.96 1x1f s GLU 9 N 2.85 4.20 -0.50 1.67 4.04 -1.26 -5.03 118.70 124.68 1x1f s GLU 9 Ca 0.16 0.75 0.07 0.00 0.04 0.00 0.00 54.97 55.98 1x1f s GLU 9 Cb -0.14 -3.17 0.23 0.00 0.02 0.00 0.00 34.13 31.07 1x1f s GLU 9 CO -0.20 0.59 0.56 0.54 -1.84 0.00 0.00 175.26 174.91 1x1f n ARG 10 N 1.50 1.27 -3.19 -4.83 1.74 -1.26 -5.10 116.66 106.80 1x1f n ARG 10 Ca -0.09 -3.76 -0.36 0.00 -0.77 0.00 0.00 57.85 52.88 1x1f n ARG 10 Cb 0.51 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 1x1f n ARG 10 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1x1f s LEU 11 N -1.41 4.33 -0.14 0.55 1.02 -1.26 -4.97 118.68 116.80 1x1f s LEU 11 Ca 0.35 1.30 -0.39 0.00 0.02 0.00 0.00 54.13 55.41 1x1f s LEU 11 Cb 0.12 -3.50 -0.16 0.00 0.02 0.00 0.00 46.19 42.68 1x1f s LEU 11 CO -0.10 0.04 1.62 1.17 0.02 0.00 0.00 176.35 179.10 1x1f n LYS 12 N 0.70 1.22 -0.02 1.70 4.81 -1.26 -4.85 118.16 120.47 1x1f n LYS 12 Ca -0.03 0.45 -0.17 0.00 -0.87 0.00 0.00 58.31 57.69 1x1f n LYS 12 Cb 0.51 -2.13 -0.09 0.00 0.02 0.00 0.00 35.03 33.35 1x1f n LYS 12 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1x1f h ILE 13 N 4.59 1.36 -3.51 3.15 2.04 -2.04 -3.44 117.51 119.65 1x1f h ILE 13 Ca -0.47 -1.91 -0.31 0.00 1.00 0.00 0.00 64.86 63.17 1x1f h ILE 13 Cb 1.32 2.24 -0.34 0.00 -0.74 0.00 0.00 36.82 39.30 1x1f h ILE 13 CO 0.90 0.58 -0.73 0.28 0.00 0.00 0.00 178.15 179.17 1x1f s THR 14 N -3.59 -0.04 -0.00 -0.27 -1.32 -1.26 -5.05 115.64 104.10 1x1f s THR 14 Ca -0.12 0.21 -0.01 0.00 -1.21 0.00 0.00 61.69 60.56 1x1f s THR 14 Cb 0.06 -0.10 -0.00 0.00 -1.51 0.00 0.00 72.50 70.94 1x1f s THR 14 CO 0.84 0.10 -0.02 0.00 -2.21 0.00 0.00 174.62 173.33 1x1f n ALA 15 N 4.21 1.83 -2.20 11.08 0.00 -1.26 -5.05 120.51 129.13 1x1f n ALA 15 Ca -0.27 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 1x1f n ALA 15 Cb 0.50 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 -5.34 4.00 -0.21 0.00 1.43 -1.26 -5.02 118.68 112.29 1x1f s LEU 16 Ca -0.02 1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.97 1x1f s LEU 16 Cb 0.00 -4.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 1x1f s LEU 16 CO 0.03 -0.25 1.30 -2.16 0.23 0.00 0.00 176.35 175.49 1x1f s PRO 17 N -3.25 4.11 0.27 1.29 0.04 -1.26 -4.87 135.00 131.32 1x1f s PRO 17 Ca 0.52 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 1x1f s PRO 17 Cb -0.10 -3.82 -0.09 0.00 0.04 0.00 0.00 34.50 30.52 1x1f s PRO 17 CO 0.23 -0.87 1.15 -1.17 0.04 0.00 0.00 177.00 176.38 1x1f s LEU 18 N 3.88 4.51 -0.01 -3.56 2.96 -1.26 -1.98 118.68 123.22 1x1f s LEU 18 Ca 0.56 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.80 1x1f s LEU 18 Cb -0.20 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.85 1x1f s LEU 18 CO 0.18 -0.25 -0.00 -1.22 -1.32 0.00 0.00 176.35 173.74 1x1f n TYR 19 N 1.41 0.00 -3.81 5.38 4.01 -0.36 -4.96 117.16 118.83 1x1f n TYR 19 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1x1f n TYR 19 Cb 0.44 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.43 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 -2.01 -0.13 -0.10 -0.72 5.36 -1.19 -5.03 117.98 114.16 1x1f s PHE 20 Ca -0.01 -0.27 -0.30 0.00 -0.96 0.00 0.00 56.93 55.39 1x1f s PHE 20 Cb 0.00 0.69 0.10 0.00 -0.34 0.00 0.00 43.02 43.47 1x1f s PHE 20 CO 0.02 -1.07 0.84 -1.83 -1.46 0.00 0.00 175.22 171.72 1x1f s GLU 21 N -3.47 0.83 0.00 10.12 -1.05 -1.26 -0.96 118.70 122.91 1x1f s GLU 21 Ca 0.12 0.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 1x1f s GLU 21 Cb -0.04 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 1x1f s GLU 21 CO 0.05 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.41 1x1f n GLY 22 N 0.76 3.05 3.43 -3.83 0.00 -0.90 -5.03 105.19 102.66 1x1f n GLY 22 Ca -0.14 -0.11 -0.49 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.64 1.21 -4.10 1.61 3.72 -1.26 -3.55 117.46 114.45 1x1f n PHE 23 Ca 0.00 0.40 -0.28 0.00 -0.05 0.00 0.00 57.45 57.52 1x1f n PHE 23 Cb 0.00 -2.45 -0.07 0.00 -0.94 0.00 0.00 39.48 36.03 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 8.08 3.67 -0.13 4.37 2.96 -0.96 -4.65 118.68 132.02 1x1f s LEU 24 Ca 1.17 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 54.91 1x1f s LEU 24 Cb -1.03 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.30 1x1f s LEU 24 CO 0.50 0.13 0.02 -0.76 -1.32 0.00 0.00 176.35 174.92 1x1f s LEU 25 N -2.70 3.63 -0.06 -0.68 1.43 -0.26 -2.84 118.68 117.21 1x1f s LEU 25 Ca 0.29 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1x1f s LEU 25 Cb -0.11 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1x1f s LEU 25 CO 0.21 0.28 -0.16 -0.63 0.23 0.00 0.00 176.35 176.28 1x1f s ILE 26 N -0.26 2.88 -0.39 -0.59 -1.09 -0.99 -1.69 121.20 119.06 1x1f s ILE 26 Ca 0.07 -0.78 0.11 0.00 -2.23 0.00 0.00 60.65 57.81 1x1f s ILE 26 Cb -0.12 -2.12 0.37 0.00 -1.58 0.00 0.00 42.46 39.00 1x1f s ILE 26 CO 0.02 0.58 1.00 1.17 -1.23 0.00 0.00 174.94 176.48 1x1f n LYS 27 N 2.58 1.06 -0.34 2.79 4.81 -1.16 -0.83 118.16 127.07 1x1f n LYS 27 Ca -0.17 -2.64 -0.04 0.00 -0.87 0.00 0.00 58.31 54.58 1x1f n LYS 27 Cb 0.52 -1.11 -0.01 0.00 0.02 0.00 0.00 35.03 34.45 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 0.07 -0.26 0.03 1.64 3.00 -1.26 -3.87 116.66 116.01 1x1f n ARG 28 Ca 0.11 1.29 0.00 0.00 -0.01 0.00 0.00 57.85 59.24 1x1f n ARG 28 Cb 0.74 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 31.29 1x1f n ARG 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1x1f n SER 29 N -5.17 -0.54 -4.13 0.55 2.88 -1.26 -4.22 113.62 101.73 1x1f n SER 29 Ca 0.06 0.17 -0.43 0.00 -1.33 0.00 0.00 58.87 57.34 1x1f n SER 29 Cb 0.29 0.75 0.00 0.00 -0.75 0.00 0.00 64.21 64.50 1x1f n SER 29 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1f n GLY 30 N -1.25 3.98 1.38 0.46 0.00 -1.26 -4.33 105.19 104.16 1x1f n GLY 30 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1x1f n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x1f n TYR 31 N 5.40 -0.91 0.00 1.61 4.01 -1.26 -5.03 117.16 120.98 1x1f n TYR 31 Ca 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 1x1f n TYR 31 Cb 0.40 0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 1x1f n TYR 31 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1x1f n ARG 32 N -2.03 0.00 0.00 -0.72 0.00 -1.26 -4.33 116.66 108.32 1x1f n ARG 32 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1x1f n ARG 32 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.56 1x1f n ARG 32 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1x1f n GLU 33 N 0.00 1.63 -1.59 -0.14 2.13 -1.26 -5.07 120.64 116.34 1x1f n GLU 33 Ca 0.00 -1.31 0.00 0.00 0.66 0.00 0.00 57.16 56.51 1x1f n GLU 33 Cb 0.00 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1x1f n GLU 33 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1x1f n TYR 34 N 0.46 -4.19 -3.79 4.31 4.02 -1.26 -4.92 117.16 111.79 1x1f n TYR 34 Ca 0.12 2.27 -0.32 0.00 -0.01 0.00 0.00 57.90 59.95 1x1f n TYR 34 Cb 0.50 -3.49 -0.05 0.00 -0.02 0.00 0.00 39.34 36.28 1x1f n TYR 34 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1x1f s GLU 35 N -5.24 3.54 -0.49 -0.72 -1.05 -0.01 -4.87 118.70 109.86 1x1f s GLU 35 Ca 0.00 -0.22 -0.12 0.00 -0.15 0.00 0.00 54.97 54.48 1x1f s GLU 35 Cb 0.00 -2.98 0.11 0.00 -0.44 0.00 0.00 34.13 30.82 1x1f s GLU 35 CO 0.00 0.57 0.39 -1.01 0.95 0.00 0.00 175.26 176.16 1x1f s HIS 36 N -1.50 3.34 -0.01 4.83 3.76 -1.26 -2.35 115.29 122.10 1x1f s HIS 36 Ca 0.35 -1.54 0.03 0.00 -0.15 0.00 0.00 55.06 53.74 1x1f s HIS 36 Cb -0.13 -3.50 -0.01 0.00 1.11 0.00 0.00 32.58 30.06 1x1f s HIS 36 CO 0.23 -0.97 -0.10 0.71 -0.85 0.00 0.00 174.74 173.77 1x1f s TYR 37 N 1.48 0.86 -0.71 1.40 2.02 -1.13 -4.96 117.35 116.31 1x1f s TYR 37 Ca 0.04 -0.16 -0.26 0.00 -0.37 0.00 0.00 57.07 56.32 1x1f s TYR 37 Cb -0.27 -0.56 -0.05 0.00 -0.40 0.00 0.00 41.96 40.69 1x1f s TYR 37 CO 0.02 -0.01 2.02 -0.46 -1.57 0.00 0.00 175.55 175.54 1x1f s TRP 38 N -0.23 1.57 0.16 2.71 -0.11 0.12 -2.27 118.94 120.88 1x1f s TRP 38 Ca 0.04 0.97 -0.26 0.00 1.22 0.00 0.00 56.10 58.07 1x1f s TRP 38 Cb -0.04 -3.93 -0.08 0.00 -1.50 0.00 0.00 33.47 27.92 1x1f s TRP 38 CO -0.00 -2.08 0.79 0.99 -4.62 0.00 0.00 176.95 172.03 1x1f s THR 39 N 10.45 4.39 -0.07 5.86 2.01 -1.23 -0.67 115.64 136.38 1x1f s THR 39 Ca 0.75 1.73 0.02 0.00 0.31 0.00 0.00 61.69 64.50 1x1f s THR 39 Cb -0.11 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1x1f s THR 39 CO 0.13 0.50 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.83 1x1f s GLU 40 N -1.01 1.75 -0.27 4.92 2.02 0.52 -2.12 118.70 124.50 1x1f s GLU 40 Ca 0.37 -0.42 -0.19 0.00 0.02 0.00 0.00 54.97 54.74 1x1f s GLU 40 Cb -0.23 -1.45 -0.02 0.00 0.10 0.00 0.00 34.13 32.53 1x1f s GLU 40 CO 0.26 0.02 0.59 -1.17 0.02 0.00 0.00 175.26 174.98 1x1f s LEU 41 N 0.71 4.09 -0.03 1.80 0.20 -0.14 -1.21 118.68 124.10 1x1f s LEU 41 Ca -0.14 0.54 -0.00 0.00 0.69 0.00 0.00 54.13 55.22 1x1f s LEU 41 Cb -0.16 -2.77 0.03 0.00 -0.43 0.00 0.00 46.19 42.86 1x1f s LEU 41 CO 0.03 -0.38 0.02 -0.13 -0.29 0.00 0.00 176.35 175.60 1x1f s ARG 42 N 2.47 0.17 2.73 1.98 0.52 -1.18 -1.22 118.95 124.41 1x1f s ARG 42 Ca 0.24 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 1x1f s ARG 42 Cb -0.15 -0.48 0.00 0.00 0.52 0.00 0.00 34.95 34.83 1x1f s ARG 42 CO 0.10 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1x1f n GLY 43 N 4.51 0.44 0.05 -3.53 0.00 -0.84 -0.51 105.19 105.32 1x1f n GLY 43 Ca -0.20 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1x1f n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x1f n THR 44 N 0.00 0.09 -4.78 2.61 -2.24 -1.26 -4.84 114.28 103.85 1x1f n THR 44 Ca 0.00 -0.09 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 1x1f n THR 44 Cb 0.00 0.90 -0.16 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.10 2.25 0.10 4.28 2.01 0.33 -3.36 115.64 121.16 1x1f s THR 45 Ca 0.00 -0.92 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 1x1f s THR 45 Cb 0.00 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.54 1x1f s THR 45 CO 0.00 0.54 0.84 -0.76 -0.69 0.00 0.00 174.62 174.55 1x1f s LEU 46 N 0.67 4.50 -0.09 4.42 1.43 0.34 -3.10 118.68 126.85 1x1f s LEU 46 Ca -0.10 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 54.66 1x1f s LEU 46 Cb -0.16 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.69 1x1f s LEU 46 CO 0.02 0.03 -0.19 -0.36 0.23 0.00 0.00 176.35 176.08 1x1f s PHE 47 N -0.31 2.14 -0.11 0.29 0.08 -0.35 0.14 117.98 119.85 1x1f s PHE 47 Ca 0.41 -0.88 0.02 0.00 0.12 0.00 0.00 56.93 56.60 1x1f s PHE 47 Cb -0.22 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 1x1f s PHE 47 CO 0.26 -0.39 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.76 1x1f s PHE 48 N 0.53 2.69 0.25 0.36 0.08 0.19 0.19 117.98 122.28 1x1f s PHE 48 Ca -0.16 -0.78 0.09 0.00 0.12 0.00 0.00 56.93 56.20 1x1f s PHE 48 Cb -0.17 -1.77 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 1x1f s PHE 48 CO 0.06 -0.27 -0.13 0.71 -0.10 0.00 0.00 175.22 175.48 1x1f s TYR 49 N 0.26 1.97 -0.39 0.36 1.51 0.15 0.08 117.35 121.30 1x1f s TYR 49 Ca -0.13 -0.54 0.23 0.00 -1.01 0.00 0.00 57.07 55.62 1x1f s TYR 49 Cb -0.16 -0.97 0.27 0.00 -0.11 0.00 0.00 41.96 40.98 1x1f s TYR 49 CO 0.07 0.45 1.49 1.79 -1.11 0.00 0.00 175.55 178.24 1x1f h THR 50 N 2.37 0.03 -2.57 -0.71 1.35 -1.91 0.34 112.91 111.80 1x1f h THR 50 Ca -0.39 -1.04 0.13 0.00 -0.55 0.00 0.00 66.41 64.56 1x1f h THR 50 Cb 1.24 1.92 -0.05 0.00 -1.73 0.00 0.00 68.15 69.52 1x1f h THR 50 CO 0.64 0.02 0.44 -1.81 -0.25 0.00 0.00 175.52 174.55 1x1f s ASP 51 N -6.06 -0.12 0.31 5.36 1.01 -1.26 -4.73 116.67 111.18 1x1f s ASP 51 Ca 0.05 -0.60 0.13 0.00 0.71 0.00 0.00 52.55 52.84 1x1f s ASP 51 Cb 0.06 0.58 0.47 0.00 1.01 0.00 0.00 42.92 45.04 1x1f s ASP 51 CO 0.70 -1.10 1.66 0.07 0.21 0.00 0.00 175.17 176.70 1x1f h LYS 52 N 2.00 0.00 0.00 8.23 2.10 -1.96 -2.65 116.57 124.29 1x1f h LYS 52 Ca -0.25 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.27 1x1f h LYS 52 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 1x1f h LYS 52 CO 0.30 0.53 -0.61 0.87 -2.00 0.00 0.00 179.45 178.54 1x1f h LYS 53 N 0.00 0.00 -6.44 0.07 1.79 -2.01 -3.45 116.57 106.53 1x1f h LYS 53 Ca -0.01 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.85 1x1f h LYS 53 Cb 1.02 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.77 1x1f h LYS 53 CO 0.07 0.61 0.17 0.45 -1.08 0.00 0.00 179.45 179.67 1x1f n SER 54 N -3.77 1.34 -0.09 0.86 2.88 -1.00 -4.91 113.62 108.93 1x1f n SER 54 Ca -0.01 1.17 -0.18 0.00 -1.33 0.00 0.00 58.87 58.52 1x1f n SER 54 Cb 0.61 -1.28 -0.06 0.00 -0.75 0.00 0.00 64.21 62.73 1x1f n SER 54 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1x1f n ILE 55 N 0.56 0.96 -3.03 2.46 5.41 -1.26 -4.86 119.36 119.60 1x1f n ILE 55 Ca 0.11 -0.26 -0.44 0.00 1.00 0.00 0.00 62.75 63.16 1x1f n ILE 55 Cb 0.30 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 37.53 1x1f n ILE 55 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1x1f s ILE 56 N -2.32 4.69 0.00 1.39 1.01 -1.26 -5.00 121.20 119.71 1x1f s ILE 56 Ca -0.24 -0.86 -0.40 0.00 0.00 0.00 0.00 60.65 59.15 1x1f s ILE 56 Cb 0.09 -4.56 -0.20 0.00 0.01 0.00 0.00 42.46 37.80 1x1f s ILE 56 CO 0.32 -1.24 1.08 0.00 0.00 0.00 0.00 174.94 175.10 1x1f n TYR 57 N 6.70 0.67 0.11 3.97 4.11 -1.26 -4.78 117.16 126.67 1x1f n TYR 57 Ca -0.06 1.04 0.10 0.00 -0.00 0.00 0.00 57.90 58.98 1x1f n TYR 57 Cb 0.44 -2.10 0.59 0.00 -0.00 0.00 0.00 39.34 38.26 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 3.00 0.96 -1.58 -3.48 3.04 -0.69 -3.44 116.25 114.06 1x1f h VAL 58 Ca -0.51 -0.06 0.07 0.00 -1.01 0.00 0.00 66.70 65.19 1x1f h VAL 58 Cb 1.43 0.77 -0.24 0.00 -2.01 0.00 0.00 31.29 31.23 1x1f h VAL 58 CO 0.65 0.03 0.51 -1.81 -1.01 0.00 0.00 177.57 175.94 1x1f s ASP 59 N -6.71 -0.40 0.26 3.17 1.01 -0.86 -5.04 116.67 108.10 1x1f s ASP 59 Ca -0.06 0.59 0.07 0.00 0.71 0.00 0.00 52.55 53.86 1x1f s ASP 59 Cb 0.18 0.53 -0.05 0.00 1.01 0.00 0.00 42.92 44.59 1x1f s ASP 59 CO 0.71 -0.27 -0.08 -1.59 0.21 0.00 0.00 175.17 174.15 1x1f s LYS 60 N -0.56 1.50 0.23 8.23 -2.85 -1.26 0.56 119.74 125.58 1x1f s LYS 60 Ca 0.00 -1.74 0.03 0.00 -1.00 0.00 0.00 55.97 53.26 1x1f s LYS 60 Cb -0.02 -1.16 -0.05 0.00 -2.06 0.00 0.00 37.83 34.54 1x1f s LYS 60 CO -0.02 0.08 0.02 -0.51 0.10 0.00 0.00 175.35 175.02 1x1f s LEU 61 N -3.41 2.07 -0.04 2.77 1.43 0.36 -4.96 118.68 116.89 1x1f s LEU 61 Ca 0.28 -1.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.14 1x1f s LEU 61 Cb 0.02 -0.17 0.02 0.00 0.03 0.00 0.00 46.19 46.10 1x1f s LEU 61 CO 0.11 -0.57 -0.04 -0.62 0.23 0.00 0.00 176.35 175.45 1x1f s ASP 62 N -3.28 0.85 -0.03 2.29 -1.08 -1.26 -0.51 116.67 113.66 1x1f s ASP 62 Ca 0.29 -0.12 0.04 0.00 -0.52 0.00 0.00 52.55 52.25 1x1f s ASP 62 Cb 0.06 -0.40 0.06 0.00 -1.46 0.00 0.00 42.92 41.18 1x1f s ASP 62 CO 0.09 -0.05 0.89 2.30 0.52 0.00 0.00 175.17 178.92 1x1f n ILE 63 N 3.96 0.61 0.29 4.11 -5.35 -1.21 -4.75 119.36 117.02 1x1f n ILE 63 Ca -0.25 -0.69 0.15 0.00 -0.27 0.00 0.00 62.75 61.68 1x1f n ILE 63 Cb 0.51 0.49 0.86 0.00 -1.74 0.00 0.00 39.64 39.76 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 2.84 0.49 -0.41 7.28 -1.51 -1.85 0.15 116.25 123.25 1x1f h VAL 64 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1x1f h VAL 64 Cb 1.00 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1x1f h VAL 64 CO 0.00 0.05 0.00 0.47 -1.23 0.00 0.00 177.57 176.86 1x1f n ASP 65 N -3.69 3.66 -4.33 4.19 9.92 -1.26 -5.00 116.55 120.04 1x1f n ASP 65 Ca -0.02 -2.39 -0.54 0.00 -0.53 0.00 0.00 54.79 51.30 1x1f n ASP 65 Cb 0.15 -0.41 -0.07 0.00 -0.64 0.00 0.00 41.12 40.16 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 0.41 -0.31 0.02 0.64 7.94 0.53 -4.43 117.00 121.81 1x1f n LEU 66 Ca 0.18 1.12 -0.12 0.00 -1.11 0.00 0.00 56.01 56.07 1x1f n LEU 66 Cb 0.67 -0.90 -0.14 0.00 0.53 0.00 0.00 43.42 43.59 1x1f n LEU 66 CO 0.14 -2.11 -0.39 0.74 -1.11 0.00 0.00 177.39 174.66 1x1f h THR 67 N 2.42 1.06 0.00 1.96 2.02 0.53 -3.49 112.91 117.40 1x1f h THR 67 Ca -0.44 -2.81 0.00 0.00 0.77 0.00 0.00 66.41 63.93 1x1f h THR 67 Cb 1.39 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 1x1f h THR 67 CO 0.61 0.71 0.00 0.00 0.37 0.00 0.00 175.52 177.21 1x1f s LEU 69 N 0.00 1.27 0.44 0.00 0.20 -1.26 -2.39 118.68 116.94 1x1f s LEU 69 Ca 0.00 -0.17 0.08 0.00 0.69 0.00 0.00 54.13 54.73 1x1f s LEU 69 Cb 0.00 -0.56 0.02 0.00 -0.43 0.00 0.00 46.19 45.22 1x1f s LEU 69 CO 0.00 -0.06 0.58 0.42 -0.29 0.00 0.00 176.35 177.00 1x1f s THR 70 N 1.10 2.82 -0.12 3.68 -4.23 -1.22 -4.98 115.64 112.69 1x1f s THR 70 Ca -0.08 -1.04 -0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1x1f s THR 70 Cb -0.14 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.86 1x1f s THR 70 CO -0.01 0.00 -0.09 -1.61 -0.54 0.00 0.00 174.62 172.37 1x1f s GLU 71 N -4.38 1.72 -0.42 3.99 2.02 -1.26 -3.67 118.70 116.70 1x1f s GLU 71 Ca 0.55 -0.34 -0.15 0.00 0.02 0.00 0.00 54.97 55.06 1x1f s GLU 71 Cb -0.09 -1.70 0.03 0.00 0.10 0.00 0.00 34.13 32.47 1x1f s GLU 71 CO 0.33 -0.24 0.32 -0.65 0.02 0.00 0.00 175.26 175.04 1x1f s GLN 72 N 1.60 2.97 0.00 1.61 1.11 0.11 -4.99 119.66 122.07 1x1f s GLN 72 Ca 0.04 -1.08 0.00 0.00 0.01 0.00 0.00 55.36 54.33 1x1f s GLN 72 Cb -0.13 -4.00 0.00 0.00 -1.01 0.00 0.00 33.01 27.87 1x1f s GLN 72 CO -0.08 -0.80 0.00 0.09 0.01 0.00 0.00 175.29 174.51 1x1f n ASN 73 N 5.17 0.00 -3.52 5.90 4.13 -1.26 -4.48 115.26 121.20 1x1f n ASN 73 Ca -0.11 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.87 1x1f n ASN 73 Cb 0.46 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.60 1x1f n ASN 73 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1x1f s SER 74 N 0.00 2.39 -0.77 6.41 0.15 -1.26 -4.94 113.70 115.68 1x1f s SER 74 Ca 0.00 -3.08 -0.01 0.00 0.70 0.00 0.00 55.95 53.56 1x1f s SER 74 Cb 0.00 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1x1f s SER 74 CO 0.00 -0.18 0.65 0.41 1.20 0.00 0.00 173.24 175.33 1x1f n THR 75 N 2.87 -7.05 -2.66 6.45 -1.04 -1.26 -4.94 114.28 106.64 1x1f n THR 75 Ca 0.24 -0.12 -0.04 0.00 -2.04 0.00 0.00 64.05 62.10 1x1f n THR 75 Cb 0.43 -5.10 0.02 0.00 -1.82 0.00 0.00 70.33 63.86 1x1f n THR 75 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1x1f n GLU 76 N -2.11 0.27 -1.23 -2.82 0.28 -1.26 -5.14 120.64 108.62 1x1f n GLU 76 Ca -0.14 -0.82 -0.40 0.00 -0.16 0.00 0.00 57.16 55.64 1x1f n GLU 76 Cb 0.59 -0.06 -0.01 0.00 1.43 0.00 0.00 31.44 33.39 1x1f n GLU 76 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1x1f n LYS 77 N -0.30 0.00 0.01 3.44 0.00 -1.26 -4.78 118.16 115.28 1x1f n LYS 77 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1x1f n LYS 77 Cb 0.69 -0.94 0.00 0.00 -0.00 0.00 0.00 35.03 34.78 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 2.16 -0.16 -3.74 -5.58 5.15 -1.26 -5.16 115.26 106.67 1x1f n ASN 78 Ca 0.11 0.05 -0.04 0.00 -0.60 0.00 0.00 54.58 54.10 1x1f n ASN 78 Cb 0.36 0.42 -0.01 0.00 -0.53 0.00 0.00 39.78 40.01 1x1f n ASN 78 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x1f s ALA 80 N -3.31 3.67 -0.13 0.00 0.00 -1.26 -5.01 121.76 115.71 1x1f s ALA 80 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 1x1f s ALA 80 Cb -0.02 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1x1f s ALA 80 CO 0.03 -0.99 -0.05 0.15 0.00 0.00 0.00 175.76 174.90 1x1f s LYS 81 N 3.02 1.29 0.07 0.00 1.02 -1.26 -3.87 119.74 120.01 1x1f s LYS 81 Ca 0.39 -0.32 -0.08 0.00 0.02 0.00 0.00 55.97 55.99 1x1f s LYS 81 Cb -0.15 -1.70 -0.01 0.00 -0.52 0.00 0.00 37.83 35.45 1x1f s LYS 81 CO 0.07 -0.36 0.16 -0.59 -0.92 0.00 0.00 175.35 173.70 1x1f s PHE 82 N 1.73 0.17 -0.15 3.18 -0.12 -1.23 0.07 117.98 121.62 1x1f s PHE 82 Ca 0.03 -0.54 -0.01 0.00 -0.05 0.00 0.00 56.93 56.36 1x1f s PHE 82 Cb -0.14 -0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.14 1x1f s PHE 82 CO -0.08 -0.48 -0.10 0.99 -0.05 0.00 0.00 175.22 175.50 1x1f s THR 83 N -3.38 3.23 -0.63 -4.49 2.01 -1.24 -2.22 115.64 108.92 1x1f s THR 83 Ca 0.01 -0.59 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 1x1f s THR 83 Cb 0.03 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 70.17 1x1f s THR 83 CO -0.08 0.51 1.45 -0.76 -0.69 0.00 0.00 174.62 175.04 1x1f s LEU 84 N 0.52 3.31 -0.22 4.42 2.01 0.40 -3.42 118.68 125.70 1x1f s LEU 84 Ca -0.07 0.06 -0.29 0.00 0.01 0.00 0.00 54.13 53.84 1x1f s LEU 84 Cb -0.15 -2.81 0.01 0.00 0.01 0.00 0.00 46.19 43.24 1x1f s LEU 84 CO 0.04 -1.86 1.09 -0.69 1.01 0.00 0.00 176.35 175.93 1x1f s VAL 85 N 6.47 4.59 0.18 -1.59 1.01 -1.01 -1.69 120.40 128.36 1x1f s VAL 85 Ca 0.49 1.91 0.08 0.00 0.00 0.00 0.00 61.98 64.47 1x1f s VAL 85 Cb -0.10 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1x1f s VAL 85 CO 0.21 -0.19 -0.16 -0.76 0.00 0.00 0.00 175.10 174.20 1x1f s LEU 86 N 3.30 2.49 0.00 3.92 1.43 -1.22 0.12 118.68 128.71 1x1f s LEU 86 Ca 0.46 -0.92 0.22 0.00 -1.03 0.00 0.00 54.13 52.86 1x1f s LEU 86 Cb -0.16 -0.75 1.33 0.00 0.03 0.00 0.00 46.19 46.64 1x1f s LEU 86 CO 0.08 -0.09 1.72 -0.81 0.23 0.00 0.00 176.35 177.48 1x1f n PRO 87 N 0.03 0.75 -0.01 1.29 -0.04 -1.26 -3.61 135.00 132.14 1x1f n PRO 87 Ca -0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 1x1f n PRO 87 Cb 0.58 -1.47 -0.02 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 -0.97 0.18 -3.56 0.54 5.02 -1.26 -5.10 118.16 113.01 1x1f n LYS 88 Ca 0.17 0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1x1f n LYS 88 Cb 0.08 -0.81 -0.06 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 -2.25 1.01 -0.13 1.97 2.12 -1.24 -5.15 118.70 115.03 1x1f s GLU 89 Ca -0.10 0.05 -0.15 0.00 0.36 0.00 0.00 54.97 55.13 1x1f s GLU 89 Cb 0.02 0.47 -0.05 0.00 0.26 0.00 0.00 34.13 34.84 1x1f s GLU 89 CO 0.14 -0.33 0.36 -1.21 -0.54 0.00 0.00 175.26 173.69 1x1f s GLU 90 N -1.62 4.24 -0.03 4.30 2.02 -1.26 -3.40 118.70 122.95 1x1f s GLU 90 Ca -0.09 0.24 0.07 0.00 0.02 0.00 0.00 54.97 55.21 1x1f s GLU 90 Cb -0.01 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 1x1f s GLU 90 CO 0.05 0.27 -0.25 0.08 0.02 0.00 0.00 175.26 175.43 1x1f s VAL 91 N 0.34 2.15 0.25 2.63 1.01 -0.68 -4.83 120.40 121.26 1x1f s VAL 91 Ca 0.20 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1x1f s VAL 91 Cb -0.14 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1x1f s VAL 91 CO 0.07 0.58 0.49 -1.10 0.00 0.00 0.00 175.10 175.14 1x1f s GLN 92 N -0.57 3.59 -0.02 2.72 -0.21 -1.25 0.15 119.66 124.06 1x1f s GLN 92 Ca 0.09 -0.13 -0.02 0.00 0.02 0.00 0.00 55.36 55.31 1x1f s GLN 92 Cb -0.10 -2.72 0.01 0.00 1.00 0.00 0.00 33.01 31.19 1x1f s GLN 92 CO -0.00 0.29 0.06 -0.51 -2.12 0.00 0.00 175.29 173.00 1x1f s LEU 93 N -3.46 1.71 0.00 2.90 1.02 -0.94 -3.00 118.68 116.91 1x1f s LEU 93 Ca 0.42 0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.70 1x1f s LEU 93 Cb -0.11 0.19 -0.01 0.00 0.02 0.00 0.00 46.19 46.28 1x1f s LEU 93 CO 0.29 -0.03 -0.05 -0.75 0.02 0.00 0.00 176.35 175.84 1x1f s LYS 94 N 0.13 0.36 0.31 1.70 2.36 -0.68 -3.53 119.74 120.39 1x1f s LYS 94 Ca -0.01 -0.24 0.10 0.00 -2.55 0.00 0.00 55.97 53.26 1x1f s LYS 94 Cb -0.01 -0.30 -0.05 0.00 -1.05 0.00 0.00 37.83 36.41 1x1f s LYS 94 CO -0.00 0.08 -0.04 0.95 1.55 0.00 0.00 175.35 177.89 1x1f s THR 95 N -0.32 2.74 -0.04 3.43 -4.23 -1.25 -1.10 115.64 114.87 1x1f s THR 95 Ca -0.01 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1x1f s THR 95 Cb -0.03 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 1x1f s THR 95 CO -0.00 -0.27 0.09 -0.33 -0.54 0.00 0.00 174.62 173.57 1x1f h GLU 96 N 1.92 -0.05 -6.42 3.99 5.08 -1.95 -3.45 114.58 113.71 1x1f h GLU 96 Ca -0.42 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.40 1x1f h GLU 96 Cb 1.25 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1x1f h GLU 96 CO 0.64 -0.03 -0.14 -0.80 -1.00 0.00 0.00 179.01 177.68 1x1f s ASN 97 N -4.14 6.57 0.22 1.42 0.01 -1.26 -4.93 114.94 112.83 1x1f s ASN 97 Ca -0.01 0.84 -0.09 0.00 -0.71 0.00 0.00 52.86 52.90 1x1f s ASN 97 Cb 0.00 -2.19 0.18 0.00 0.41 0.00 0.00 41.25 39.65 1x1f s ASN 97 CO 0.02 -0.09 1.87 0.74 -1.51 0.00 0.00 177.10 178.13 1x1f h THR 98 N 1.87 1.23 0.56 1.60 2.02 -1.90 -3.00 112.91 115.29 1x1f h THR 98 Ca -0.47 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1x1f h THR 98 Cb 1.17 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1x1f h THR 98 CO 0.69 0.24 -0.48 -0.08 0.37 0.00 0.00 175.52 176.25 1x1f h GLU 99 N 1.14 -0.98 -0.92 6.66 4.81 -1.95 -2.04 114.58 121.29 1x1f h GLU 99 Ca 0.30 0.07 0.31 0.00 -0.13 0.00 0.00 59.36 59.90 1x1f h GLU 99 Cb -0.05 0.22 -0.17 0.00 0.63 0.00 0.00 28.75 29.38 1x1f h GLU 99 CO -0.06 -0.66 0.22 0.45 -0.73 0.00 0.00 179.01 178.23 1x1f n SER 100 N -5.41 0.07 0.06 1.04 2.88 -1.14 -0.26 113.62 110.85 1x1f n SER 100 Ca -0.12 1.55 -0.09 0.00 -1.33 0.00 0.00 58.87 58.88 1x1f n SER 100 Cb 0.46 -0.64 -0.05 0.00 -0.75 0.00 0.00 64.21 63.22 1x1f n SER 100 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1x1f h GLY 101 N 0.00 -1.20 -0.57 0.46 0.00 -1.25 -1.33 103.07 99.18 1x1f h GLY 101 Ca 0.65 0.60 0.27 0.00 0.00 0.00 0.00 47.33 48.85 1x1f h GLY 101 CO -0.80 -0.36 0.31 0.83 0.00 0.00 0.00 176.54 176.51 1x1f h GLU 102 N -0.40 0.19 0.03 4.80 4.39 -0.50 0.23 114.58 123.31 1x1f h GLU 102 Ca -0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1x1f h GLU 102 Cb 0.41 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1x1f h GLU 102 CO -0.16 0.12 -0.05 0.93 -1.16 0.00 0.00 179.01 178.69 1x1f h GLU 103 N 0.19 -0.08 -0.06 2.33 4.39 -0.68 0.47 114.58 121.14 1x1f h GLU 103 Ca 0.62 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.35 1x1f h GLU 103 Cb 1.33 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.95 1x1f h GLU 103 CO -0.69 -0.05 -0.44 -1.49 -1.16 0.00 0.00 179.01 175.18 1x1f h TRP 104 N -0.08 -1.32 -0.87 4.33 4.06 -0.30 0.98 115.95 122.75 1x1f h TRP 104 Ca -0.00 0.05 0.10 0.00 2.06 0.00 0.00 58.89 61.09 1x1f h TRP 104 Cb 0.08 0.58 -0.12 0.00 -1.00 0.00 0.00 29.16 28.70 1x1f h TRP 104 CO -0.20 -0.46 -0.46 0.54 -3.56 0.00 0.00 178.44 174.30 1x1f n ARG 105 N -4.92 -0.33 0.46 0.49 5.12 0.69 0.20 116.66 118.38 1x1f n ARG 105 Ca -0.05 1.32 -0.19 0.00 -1.93 0.00 0.00 57.85 57.00 1x1f n ARG 105 Cb 0.32 -1.95 -0.09 0.00 -1.16 0.00 0.00 32.46 29.58 1x1f n ARG 105 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1x1f h GLY 106 N 0.00 -1.22 -0.28 -0.13 0.00 0.95 0.23 103.07 102.62 1x1f h GLY 106 Ca 0.19 0.45 0.20 0.00 0.00 0.00 0.00 47.33 48.17 1x1f h GLY 106 CO -0.83 -0.44 0.20 0.74 0.00 0.00 0.00 176.54 176.21 1x1f h PHE 107 N -1.23 0.31 0.77 5.60 0.04 0.27 0.19 116.94 122.89 1x1f h PHE 107 Ca -0.12 0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 1x1f h PHE 107 Cb 0.90 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 39.05 1x1f h PHE 107 CO -0.00 -0.15 -0.37 0.82 -0.60 0.00 0.00 178.31 178.00 1x1f h ILE 108 N 0.24 0.00 -0.88 -0.55 5.03 0.24 -0.05 117.51 121.55 1x1f h ILE 108 Ca 0.49 -0.24 0.25 0.00 -0.12 0.00 0.00 64.86 65.24 1x1f h ILE 108 Cb 0.91 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.67 1x1f h ILE 108 CO -0.59 0.00 0.91 -0.07 -0.68 0.00 0.00 178.15 177.72 1x1f h LEU 109 N -1.28 0.00 0.24 1.44 3.38 0.48 1.64 115.31 121.21 1x1f h LEU 109 Ca -0.11 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.52 1x1f h LEU 109 Cb 0.80 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.58 1x1f h LEU 109 CO 0.17 0.00 -1.55 0.74 0.09 0.00 0.00 178.44 177.90 1x1f h THR 110 N 0.00 1.20 -0.57 0.22 2.02 -0.14 0.14 112.91 115.78 1x1f h THR 110 Ca 0.42 -2.67 -0.27 0.00 0.77 0.00 0.00 66.41 64.66 1x1f h THR 110 Cb 2.24 2.98 -0.16 0.00 -1.74 0.00 0.00 68.15 71.47 1x1f h THR 110 CO -0.00 0.82 0.34 1.33 0.37 0.00 0.00 175.52 178.38 1x1f n VAL 111 N -3.68 2.26 0.00 3.16 0.24 0.54 -2.62 118.33 118.22 1x1f n VAL 111 Ca -0.19 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 60.98 1x1f n VAL 111 Cb 1.10 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 -0.37 0.00 0.74 3.34 -2.24 0.19 -4.74 114.28 111.20 1x1f n THR 112 Ca 0.34 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.24 1x1f n THR 112 Cb 1.16 -0.25 0.33 0.00 -2.10 0.00 0.00 70.33 69.48 1x1f n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 113 N -2.14 0.18 -1.75 -0.78 1.02 0.49 -4.91 120.64 112.76 1x1f n GLU 113 Ca 0.00 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1x1f n GLU 113 Cb 0.00 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 1x1f n GLU 113 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1f n LEU 114 N -1.94 -1.19 0.00 -4.62 7.99 -1.08 -4.94 117.00 111.22 1x1f n LEU 114 Ca 0.05 0.16 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 1x1f n LEU 114 Cb 0.40 -1.91 0.00 0.00 -0.11 0.00 0.00 43.42 41.80 1x1f n LEU 114 CO 0.33 -0.41 0.00 -0.24 -1.51 0.00 0.00 177.39 175.55 1x1f n SER 115 N -0.14 0.00 -3.75 -1.43 2.88 -1.23 -5.05 113.62 104.89 1x1f n SER 115 Ca -0.13 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.21 1x1f n SER 115 Cb 0.49 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.75 0.11 -0.18 2.46 1.01 -1.26 -4.12 120.40 117.67 1x1f s VAL 116 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1x1f s VAL 116 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1x1f s VAL 116 CO 0.00 0.18 1.29 -2.16 0.00 0.00 0.00 175.10 174.41 1x1f s PRO 117 N 1.64 4.17 -0.07 2.72 0.04 -1.26 -4.88 135.00 137.36 1x1f s PRO 117 Ca -0.01 1.61 0.08 0.00 0.04 0.00 0.00 61.00 62.72 1x1f s PRO 117 Cb -0.13 -3.79 0.35 0.00 0.04 0.00 0.00 34.50 30.97 1x1f s PRO 117 CO -0.03 -0.79 1.14 1.04 0.04 0.00 0.00 177.00 178.40 1x1f n GLN 118 N 6.76 2.42 -2.25 4.56 6.02 -1.26 -4.00 117.38 129.63 1x1f n GLN 118 Ca 0.14 -1.36 -0.28 0.00 -0.01 0.00 0.00 57.00 55.49 1x1f n GLN 118 Cb 0.45 -1.64 0.01 0.00 1.02 0.00 0.00 30.24 30.09 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 0.36 5.28 -4.30 1.08 3.02 -1.26 -5.01 115.26 114.43 1x1f n ASN 119 Ca 0.12 -3.75 -0.30 0.00 -0.03 0.00 0.00 54.58 50.63 1x1f n ASN 119 Cb 0.54 -0.54 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 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 -5.24 1.98 -1.23 2.41 -7.23 -1.26 -5.00 120.40 104.84 1x1f s VAL 120 Ca 0.50 -1.13 0.28 0.00 -1.81 0.00 0.00 61.98 59.82 1x1f s VAL 120 Cb 0.41 -1.66 0.26 0.00 0.56 0.00 0.00 36.38 35.95 1x1f s VAL 120 CO -0.16 0.51 1.78 -0.24 -0.31 0.00 0.00 175.10 176.67 1x1f n SER 121 N 2.32 0.28 -4.10 4.85 2.88 -1.26 -4.92 113.62 113.67 1x1f n SER 121 Ca -0.16 -0.07 -0.35 0.00 -1.33 0.00 0.00 58.87 56.96 1x1f n SER 121 Cb 0.52 -0.16 0.06 0.00 -0.75 0.00 0.00 64.21 63.88 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 -1.32 -4.63 -4.59 2.46 7.94 -1.26 -4.91 117.00 110.70 1x1f n LEU 122 Ca 0.09 0.23 -0.28 0.00 -1.11 0.00 0.00 56.01 54.93 1x1f n LEU 122 Cb 0.31 -0.87 0.21 0.00 0.53 0.00 0.00 43.42 43.61 1x1f n LEU 122 CO 0.28 -5.46 0.58 -0.76 -1.11 0.00 0.00 177.39 170.92 1x1f s LEU 123 N 5.81 1.11 0.00 -1.96 2.01 -1.26 -4.79 118.68 119.61 1x1f s LEU 123 Ca 0.44 1.24 0.22 0.00 0.01 0.00 0.00 54.13 56.05 1x1f s LEU 123 Cb -0.19 -3.26 1.00 0.00 0.01 0.00 0.00 46.19 43.74 1x1f s LEU 123 CO 0.79 -3.70 1.71 -0.81 1.01 0.00 0.00 176.35 175.35 1x1f n PRO 124 N -4.56 0.10 -0.07 1.29 -0.04 -1.26 -2.19 135.00 128.27 1x1f n PRO 124 Ca 0.04 0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 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 0.72 -0.79 0.07 0.55 0.00 -1.26 -4.28 105.19 100.20 1x1f n GLY 125 Ca 0.07 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.03 -1.00 1.61 4.20 -1.88 -3.19 115.11 114.84 1x1f h GLN 126 Ca -0.47 0.00 0.40 0.00 0.06 0.00 0.00 58.65 58.63 1x1f h GLN 126 Cb 2.08 0.01 -0.18 0.00 0.30 0.00 0.00 27.48 29.69 1x1f h GLN 126 CO 0.02 0.60 0.50 0.28 -0.67 0.00 0.00 178.83 179.56 1x1f h VAL 127 N -0.69 0.03 -0.48 -0.54 2.07 -1.66 1.48 116.25 116.48 1x1f h VAL 127 Ca -0.00 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1x1f h VAL 127 Cb 0.64 -0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.32 1x1f h VAL 127 CO 0.00 0.01 -0.10 0.40 0.02 0.00 0.00 177.57 177.90 1x1f h ILE 128 N 0.04 0.54 -0.84 4.57 2.04 -1.73 -0.98 117.51 121.14 1x1f h ILE 128 Ca 0.81 -0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.78 1x1f h ILE 128 Cb 2.09 0.52 -0.13 0.00 -0.74 0.00 0.00 36.82 38.57 1x1f h ILE 128 CO -0.77 0.00 -0.46 0.11 0.00 0.00 0.00 178.15 177.04 1x1f h LYS 129 N 0.01 -0.08 -0.88 2.37 1.79 0.20 1.34 116.57 121.31 1x1f h LYS 129 Ca 0.23 0.01 0.21 0.00 -2.18 0.00 0.00 60.65 58.92 1x1f h LYS 129 Cb 0.35 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 30.90 1x1f h LYS 129 CO -0.48 -0.05 0.37 -0.07 -1.08 0.00 0.00 179.45 178.14 1x1f h LEU 130 N -0.08 0.30 0.22 2.94 3.38 -1.17 1.65 115.31 122.55 1x1f h LEU 130 Ca 0.24 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1x1f h LEU 130 Cb 0.54 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1x1f h LEU 130 CO -0.86 -0.00 -0.10 0.45 0.09 0.00 0.00 178.44 178.01 1x1f h HIS 131 N 0.39 -0.27 0.93 1.13 3.86 0.19 -1.14 115.15 120.24 1x1f h HIS 131 Ca 0.55 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.70 1x1f h HIS 131 Cb 1.02 0.09 0.01 0.00 1.06 0.00 0.00 27.41 29.59 1x1f h HIS 131 CO -0.15 -0.05 -0.45 0.93 0.86 0.00 0.00 177.93 179.08 1x1f h GLU 132 N -0.46 -1.21 -0.99 2.45 5.08 0.22 -1.78 114.58 117.90 1x1f h GLU 132 Ca -0.03 0.08 0.35 0.00 -1.00 0.00 0.00 59.36 58.77 1x1f h GLU 132 Cb 0.35 0.27 -0.16 0.00 0.50 0.00 0.00 28.75 29.71 1x1f h GLU 132 CO 0.05 -0.80 0.49 0.28 -1.00 0.00 0.00 179.01 178.02 1x1f h VAL 133 N -1.32 0.15 0.00 3.13 2.07 0.23 0.34 116.25 120.84 1x1f h VAL 133 Ca -0.13 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1x1f h VAL 133 Cb 0.96 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1x1f h VAL 133 CO 0.21 0.03 0.00 -0.11 0.02 0.00 0.00 177.57 177.72 1x1f n LEU 134 N -5.19 0.01 -0.22 2.57 7.94 -0.43 -1.50 117.00 120.18 1x1f n LEU 134 Ca 0.33 0.87 0.30 0.00 -1.11 0.00 0.00 56.01 56.40 1x1f n LEU 134 Cb 1.08 -0.38 0.59 0.00 0.53 0.00 0.00 43.42 45.23 1x1f n LEU 134 CO 0.04 -0.38 1.28 -0.33 -1.11 0.00 0.00 177.39 176.89 1x1f h GLU 135 N 0.00 0.00 -0.21 1.96 5.08 -0.31 1.41 114.58 122.51 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 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1x1f h GLU 135 CO 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 177.89 1x1f h ARG 136 N 0.00 0.46 0.01 2.33 2.47 0.09 -3.08 114.38 116.65 1x1f h ARG 136 Ca 0.49 -0.21 -0.20 0.00 -1.26 0.00 0.00 59.98 58.80 1x1f h ARG 136 Cb 2.54 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 30.83 1x1f h ARG 136 CO -0.01 0.75 -0.94 1.05 0.56 0.00 0.00 179.97 181.39 1x1f h GLU 137 N 0.16 0.02 -0.92 0.04 4.11 0.28 -3.23 114.58 115.04 1x1f h GLU 137 Ca 0.05 -0.03 0.19 0.00 0.07 0.00 0.00 59.36 59.64 1x1f h GLU 137 Cb 0.62 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.77 1x1f h GLU 137 CO 0.03 0.94 0.48 0.87 0.07 0.00 0.00 179.01 181.41 1x1f h LYS 138 N 0.01 0.57 0.73 1.06 1.57 -0.31 0.25 116.57 120.45 1x1f h LYS 138 Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1x1f h LYS 138 Cb 1.65 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1x1f h LYS 138 CO 0.12 0.37 -0.40 0.87 -0.57 0.00 0.00 179.45 179.85 1x1f h LYS 139 N 0.58 -1.01 -0.91 3.15 6.56 -1.56 -2.56 116.57 120.83 1x1f h LYS 139 Ca 0.54 0.07 0.26 0.00 -1.06 0.00 0.00 60.65 60.46 1x1f h LYS 139 Cb 0.91 0.23 -0.15 0.00 -0.57 0.00 0.00 32.23 32.65 1x1f h LYS 139 CO -0.43 -0.67 0.28 0.00 -2.06 0.00 0.00 179.45 176.56 1x1f h ARG 140 N -1.05 0.20 -0.80 3.15 3.08 -1.38 0.70 114.38 118.27 1x1f h ARG 140 Ca -0.10 -0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.10 1x1f h ARG 140 Cb 0.82 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.72 1x1f h ARG 140 CO 0.13 0.13 0.33 0.00 -1.07 0.00 0.00 179.97 179.49 1x1f h ARG 141 N 0.20 0.43 0.00 0.04 2.47 -0.60 -2.43 114.38 114.49 1x1f h ARG 141 Ca 0.59 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.29 1x1f h ARG 141 Cb 1.24 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1x1f h ARG 141 CO -0.67 0.29 0.00 -0.89 0.56 0.00 0.00 179.97 179.25 1x1f n ILE 142 N -5.01 0.00 0.00 2.04 5.41 0.24 -1.40 119.36 120.64 1x1f n ILE 142 Ca 0.16 1.03 0.00 0.00 1.00 0.00 0.00 62.75 64.94 1x1f n ILE 142 Cb 0.48 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 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 -1.01 0.00 -3.46 0.38 1.02 -1.12 -3.88 120.64 112.57 1x1f n GLU 143 Ca 0.00 0.69 -0.43 0.00 -0.02 0.00 0.00 57.16 57.40 1x1f n GLU 143 Cb 0.00 -1.23 -0.08 0.00 -0.02 0.00 0.00 31.44 30.11 1x1f n GLU 143 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x1f s SER 144 N -2.92 5.97 0.00 1.62 0.15 -0.93 -4.94 113.70 112.65 1x1f s SER 144 Ca 0.00 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.20 1x1f s SER 144 Cb 0.00 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1x1f s SER 144 CO 0.00 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1x1f n GLY 145 N 5.10 -0.87 3.34 9.45 0.00 -0.49 -4.07 105.19 117.65 1x1f n GLY 145 Ca -0.12 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 1x1f n GLY 145 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x1f n PRO 146 N 0.00 2.31 -2.18 1.61 -0.04 -1.26 -4.93 135.00 130.51 1x1f n PRO 146 Ca 0.00 -2.64 -0.27 0.00 -0.04 0.00 0.00 63.50 60.55 1x1f n PRO 146 Cb 0.00 -3.43 0.06 0.00 -0.04 0.00 0.00 33.50 30.09 1x1f n PRO 146 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x1f s SER 147 N 4.90 5.07 -0.30 3.54 0.01 -1.26 -4.71 113.70 120.96 1x1f s SER 147 Ca 0.58 0.66 -0.07 0.00 1.31 0.00 0.00 55.95 58.42 1x1f s SER 147 Cb 0.06 -1.40 0.01 0.00 0.21 0.00 0.00 66.02 64.90 1x1f s SER 147 CO 0.08 -1.45 0.28 -0.24 0.41 0.00 0.00 173.24 172.31 1x1f n SER 148 N -2.89 -6.80 0.00 2.44 2.88 -1.26 -5.26 113.62 102.73 1x1f n SER 148 Ca 0.07 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1x1f n SER 148 Cb 0.59 -4.51 0.00 0.00 -0.75 0.00 0.00 64.21 59.54 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42