#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 -0.20 0.96 1.61 0.15 -1.26 -5.16 113.70 109.81 1x1f s SER 2 Ca 0.00 0.81 -0.12 0.00 0.70 0.00 0.00 55.95 57.34 1x1f s SER 2 Cb 0.00 1.35 0.17 0.00 -1.71 0.00 0.00 66.02 65.82 1x1f s SER 2 CO 0.00 -0.25 1.11 -0.55 1.20 0.00 0.00 173.24 174.75 1x1f s SER 3 N 2.61 3.01 0.00 5.45 0.15 -1.26 -5.08 113.70 118.58 1x1f s SER 3 Ca 0.03 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1x1f s SER 3 Cb -0.13 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1x1f s SER 3 CO -0.14 -2.88 0.00 0.61 1.20 0.00 0.00 173.24 172.03 1x1f n GLY 4 N -1.50 5.11 3.21 9.45 0.00 -1.26 -5.18 105.19 115.01 1x1f n GLY 4 Ca 0.06 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 1x1f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1f s SER 5 N -0.12 0.26 0.22 1.61 0.01 -1.26 -5.18 113.70 109.25 1x1f s SER 5 Ca 0.00 -1.40 -0.21 0.00 1.31 0.00 0.00 55.95 55.64 1x1f s SER 5 Cb 0.00 0.38 0.04 0.00 0.21 0.00 0.00 66.02 66.65 1x1f s SER 5 CO 0.00 -0.84 0.65 -0.44 0.41 0.00 0.00 173.24 173.02 1x1f s SER 6 N -3.18 -0.38 0.01 2.44 0.01 -1.26 -5.18 113.70 106.18 1x1f s SER 6 Ca 0.39 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1x1f s SER 6 Cb 0.07 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.96 1x1f s SER 6 CO 0.13 -1.17 0.00 0.61 0.41 0.00 0.00 173.24 173.22 1x1f n GLY 7 N -0.42 -1.92 3.00 3.44 0.00 -1.26 -5.09 105.19 102.95 1x1f n GLY 7 Ca -0.10 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.51 1x1f n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x1f s GLN 8 N -0.04 0.40 0.00 1.61 -0.21 -1.26 -5.01 119.66 115.16 1x1f s GLN 8 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.35 1x1f s GLN 8 Cb 0.00 0.07 0.00 0.00 1.00 0.00 0.00 33.01 34.08 1x1f s GLN 8 CO 0.00 -0.62 0.00 -0.85 -2.12 0.00 0.00 175.29 171.70 1x1f n GLU 9 N 4.32 0.00 -2.72 2.91 0.28 -1.26 -5.12 120.64 119.05 1x1f n GLU 9 Ca 0.08 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1x1f n GLU 9 Cb 0.60 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.43 1x1f n GLU 9 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1x1f n ARG 10 N -1.68 -3.73 -0.79 3.44 5.12 -1.26 -5.00 116.66 112.77 1x1f n ARG 10 Ca 0.00 2.87 -0.14 0.00 -1.93 0.00 0.00 57.85 58.64 1x1f n ARG 10 Cb 0.00 -3.89 0.10 0.00 -1.16 0.00 0.00 32.46 27.51 1x1f n ARG 10 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1x1f n LEU 11 N 1.96 0.00 -4.13 0.55 7.99 -1.26 -5.00 117.00 117.10 1x1f n LEU 11 Ca -0.30 -0.66 -0.38 0.00 -0.01 0.00 0.00 56.01 54.66 1x1f n LEU 11 Cb 0.47 -0.49 -0.07 0.00 -0.11 0.00 0.00 43.42 43.22 1x1f n LEU 11 CO 0.28 -1.13 0.25 -0.54 -1.51 0.00 0.00 177.39 174.74 1x1f s LYS 12 N -4.34 3.06 0.00 3.23 -0.14 -1.26 -5.04 119.74 115.26 1x1f s LYS 12 Ca 0.36 -2.91 0.08 0.00 -1.36 0.00 0.00 55.97 52.14 1x1f s LYS 12 Cb -0.02 -3.94 -0.02 0.00 -1.68 0.00 0.00 37.83 32.17 1x1f s LYS 12 CO 0.26 -1.23 -0.24 0.42 -0.76 0.00 0.00 175.35 173.79 1x1f s ILE 13 N -0.70 2.24 -0.95 2.17 1.01 -1.26 -5.07 121.20 118.63 1x1f s ILE 13 Ca 0.22 -1.16 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 1x1f s ILE 13 Cb -0.13 -1.83 0.22 0.00 0.01 0.00 0.00 42.46 40.73 1x1f s ILE 13 CO -0.08 0.50 0.97 -0.89 0.00 0.00 0.00 174.94 175.44 1x1f s THR 14 N -0.70 5.52 0.36 2.92 2.01 -1.26 -4.97 115.64 119.51 1x1f s THR 14 Ca 0.11 -2.58 -0.01 0.00 0.31 0.00 0.00 61.69 59.52 1x1f s THR 14 Cb -0.10 -4.59 0.00 0.00 0.01 0.00 0.00 72.50 67.82 1x1f s THR 14 CO 0.01 -1.20 0.48 0.00 -0.69 0.00 0.00 174.62 173.22 1x1f s ALA 15 N 0.34 0.88 0.46 7.40 0.00 -1.26 -5.14 121.76 124.45 1x1f s ALA 15 Ca 0.26 -1.59 -0.23 0.00 0.00 0.00 0.00 51.96 50.40 1x1f s ALA 15 Cb -0.08 1.17 -0.09 0.00 0.00 0.00 0.00 23.12 24.11 1x1f s ALA 15 CO -0.08 -0.79 0.98 1.28 0.00 0.00 0.00 175.76 177.15 1x1f n LEU 16 N -0.60 2.73 -4.61 0.00 7.99 -1.26 -4.86 117.00 116.40 1x1f n LEU 16 Ca 0.01 0.98 -0.43 0.00 -0.01 0.00 0.00 56.01 56.57 1x1f n LEU 16 Cb 0.61 -1.35 -0.02 0.00 -0.11 0.00 0.00 43.42 42.55 1x1f n LEU 16 CO 0.30 -1.60 1.23 -2.16 -1.51 0.00 0.00 177.39 173.65 1x1f s PRO 17 N -2.14 3.63 0.30 3.23 0.04 -1.26 -4.70 135.00 134.10 1x1f s PRO 17 Ca 0.65 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1x1f s PRO 17 Cb -0.53 -4.00 -0.10 0.00 0.04 0.00 0.00 34.50 29.91 1x1f s PRO 17 CO 0.55 -1.49 1.42 -1.17 0.04 0.00 0.00 177.00 176.34 1x1f s LEU 18 N 5.28 4.38 0.00 -3.56 2.96 -1.26 -1.16 118.68 125.32 1x1f s LEU 18 Ca 0.61 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 57.29 1x1f s LEU 18 Cb -0.14 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1x1f s LEU 18 CO 0.31 -0.70 0.00 -1.22 -1.32 0.00 0.00 176.35 173.42 1x1f n TYR 19 N 1.48 0.00 -3.51 5.38 4.01 -0.32 -4.94 117.16 119.26 1x1f n TYR 19 Ca 0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.61 1x1f n TYR 19 Cb 0.40 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.95 -0.61 0.08 -0.72 5.36 -1.23 -5.04 117.98 113.86 1x1f s PHE 20 Ca 0.00 0.96 -0.00 0.00 -0.96 0.00 0.00 56.93 56.92 1x1f s PHE 20 Cb 0.00 0.44 -0.04 0.00 -0.34 0.00 0.00 43.02 43.08 1x1f s PHE 20 CO 0.00 -0.62 -0.02 -1.83 -1.46 0.00 0.00 175.22 171.29 1x1f s GLU 21 N -1.57 0.73 0.00 10.12 1.03 -1.26 -1.32 118.70 126.43 1x1f s GLU 21 Ca -0.08 -1.29 0.00 0.00 0.03 0.00 0.00 54.97 53.62 1x1f s GLU 21 Cb -0.00 0.13 0.00 0.00 -0.80 0.00 0.00 34.13 33.46 1x1f s GLU 21 CO 0.06 -0.12 0.00 0.41 -1.33 0.00 0.00 175.26 174.27 1x1f n GLY 22 N 0.03 3.35 3.39 -3.83 0.00 -1.15 -5.04 105.19 101.95 1x1f n GLY 22 Ca -0.12 -0.02 -0.58 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.11 1.43 -4.31 1.61 3.72 -1.26 -4.01 117.46 114.53 1x1f n PHE 23 Ca 0.00 0.63 -0.25 0.00 -0.05 0.00 0.00 57.45 57.77 1x1f n PHE 23 Cb 0.00 -2.38 -0.09 0.00 -0.94 0.00 0.00 39.48 36.08 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 5.94 3.00 -0.19 4.37 2.96 -1.01 -4.70 118.68 129.05 1x1f s LEU 24 Ca 1.14 -0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 54.34 1x1f s LEU 24 Cb -1.26 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 1x1f s LEU 24 CO 0.62 0.07 0.05 -0.76 -1.32 0.00 0.00 176.35 175.01 1x1f s LEU 25 N -3.12 3.69 -0.08 -0.68 1.43 -0.80 -2.38 118.68 116.73 1x1f s LEU 25 Ca 0.27 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1x1f s LEU 25 Cb -0.08 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1x1f s LEU 25 CO 0.16 0.14 -0.17 -0.63 0.23 0.00 0.00 176.35 176.08 1x1f s ILE 26 N 0.59 2.74 -0.15 -0.59 -1.09 -1.10 -2.29 121.20 119.30 1x1f s ILE 26 Ca 0.03 -0.81 -0.02 0.00 -2.23 0.00 0.00 60.65 57.62 1x1f s ILE 26 Cb -0.13 -2.08 0.05 0.00 -1.58 0.00 0.00 42.46 38.71 1x1f s ILE 26 CO 0.01 0.56 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.53 1x1f s LYS 27 N -0.16 0.93 0.32 2.79 2.20 -0.79 -2.71 119.74 122.33 1x1f s LYS 27 Ca -0.02 -0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 1x1f s LYS 27 Cb -0.14 -1.80 -0.01 0.00 -1.51 0.00 0.00 37.83 34.37 1x1f s LYS 27 CO 0.03 -0.48 0.12 0.54 -0.36 0.00 0.00 175.35 175.20 1x1f n ARG 28 N 5.01 0.64 -1.67 4.03 1.74 -1.26 -2.26 116.66 122.89 1x1f n ARG 28 Ca -0.10 -2.75 -0.36 0.00 -0.77 0.00 0.00 57.85 53.87 1x1f n ARG 28 Cb 0.48 1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 33.41 1x1f n ARG 28 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1x1f s SER 29 N -3.00 4.61 0.00 0.55 0.01 -1.26 -1.82 113.70 112.80 1x1f s SER 29 Ca 0.17 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.30 1x1f s SER 29 Cb 0.01 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1x1f s SER 29 CO 0.12 -2.79 0.00 0.61 0.41 0.00 0.00 173.24 171.59 1x1f n GLY 30 N 5.96 3.75 0.34 3.44 0.00 -1.26 -4.97 105.19 112.46 1x1f n GLY 30 Ca 0.33 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.56 1x1f n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x1f n TYR 31 N 0.00 0.17 0.00 1.61 4.02 -0.75 -4.73 117.16 117.48 1x1f n TYR 31 Ca 0.00 1.13 0.00 0.00 -0.01 0.00 0.00 57.90 59.02 1x1f n TYR 31 Cb 0.00 -0.93 0.00 0.00 -0.02 0.00 0.00 39.34 38.39 1x1f n TYR 31 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1x1f n ARG 32 N -5.42 0.00 -4.14 -0.72 3.00 -1.26 -4.80 116.66 103.32 1x1f n ARG 32 Ca 0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.78 1x1f n ARG 32 Cb 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.71 1x1f n ARG 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1x1f s GLU 33 N 0.00 0.65 0.01 -0.14 -1.05 -1.26 -5.08 118.70 111.83 1x1f s GLU 33 Ca 0.00 -0.10 -0.35 0.00 -0.15 0.00 0.00 54.97 54.37 1x1f s GLU 33 Cb 0.00 -0.68 -0.18 0.00 -0.44 0.00 0.00 34.13 32.84 1x1f s GLU 33 CO 0.00 -0.04 0.93 0.66 0.95 0.00 0.00 175.26 177.76 1x1f n TYR 34 N 3.78 0.51 -4.54 4.83 4.01 -1.26 -4.93 117.16 119.57 1x1f n TYR 34 Ca -0.23 0.94 -0.34 0.00 -0.16 0.00 0.00 57.90 58.11 1x1f n TYR 34 Cb 0.52 -1.86 -0.11 0.00 -0.31 0.00 0.00 39.34 37.59 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 -0.05 2.80 -0.58 -0.72 0.41 -1.10 -4.92 118.70 114.54 1x1f s GLU 35 Ca 0.80 -0.52 -0.24 0.00 -0.41 0.00 0.00 54.97 54.60 1x1f s GLU 35 Cb -1.12 -2.64 0.05 0.00 -1.78 0.00 0.00 34.13 28.64 1x1f s GLU 35 CO 0.51 0.67 0.95 -1.01 -0.49 0.00 0.00 175.26 175.89 1x1f s HIS 36 N -0.85 2.75 -0.02 1.61 3.76 -1.26 -2.72 115.29 118.56 1x1f s HIS 36 Ca 0.13 -0.16 0.05 0.00 -0.15 0.00 0.00 55.06 54.93 1x1f s HIS 36 Cb -0.11 -4.14 -0.01 0.00 1.11 0.00 0.00 32.58 29.43 1x1f s HIS 36 CO 0.02 -1.45 -0.16 0.71 -0.85 0.00 0.00 174.74 173.01 1x1f s TYR 37 N 4.02 1.51 -0.76 1.40 2.02 -1.00 -4.96 117.35 119.57 1x1f s TYR 37 Ca 0.28 -0.32 -0.26 0.00 -0.37 0.00 0.00 57.07 56.41 1x1f s TYR 37 Cb -0.14 -0.98 -0.09 0.00 -0.40 0.00 0.00 41.96 40.35 1x1f s TYR 37 CO 0.17 -0.05 2.21 -0.46 -1.57 0.00 0.00 175.55 175.85 1x1f s TRP 38 N -0.30 1.38 0.25 2.71 -0.11 0.36 -2.39 118.94 120.85 1x1f s TRP 38 Ca 0.04 1.40 -0.24 0.00 1.22 0.00 0.00 56.10 58.52 1x1f s TRP 38 Cb -0.07 -3.71 -0.09 0.00 -1.50 0.00 0.00 33.47 28.10 1x1f s TRP 38 CO -0.00 -1.83 0.84 0.99 -4.62 0.00 0.00 176.95 172.32 1x1f s THR 39 N 12.43 4.34 -0.06 5.86 2.01 -1.26 0.20 115.64 139.17 1x1f s THR 39 Ca 0.84 1.66 -0.01 0.00 0.31 0.00 0.00 61.69 64.49 1x1f s THR 39 Cb -0.12 -4.03 0.03 0.00 0.01 0.00 0.00 72.50 68.39 1x1f s THR 39 CO 0.09 0.29 -0.01 -1.61 -0.69 0.00 0.00 174.62 172.69 1x1f s GLU 40 N -1.73 0.60 -0.29 4.92 2.02 0.36 -2.96 118.70 121.62 1x1f s GLU 40 Ca 0.44 0.07 -0.19 0.00 0.02 0.00 0.00 54.97 55.30 1x1f s GLU 40 Cb -0.20 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.14 1x1f s GLU 40 CO 0.24 -0.24 0.59 -1.17 0.02 0.00 0.00 175.26 174.71 1x1f s LEU 41 N 1.65 4.12 -0.03 1.80 0.20 -0.43 -0.97 118.68 125.01 1x1f s LEU 41 Ca -0.00 0.46 -0.00 0.00 0.69 0.00 0.00 54.13 55.27 1x1f s LEU 41 Cb -0.13 -2.76 0.03 0.00 -0.43 0.00 0.00 46.19 42.90 1x1f s LEU 41 CO -0.04 -0.41 0.02 -0.13 -0.29 0.00 0.00 176.35 175.50 1x1f s ARG 42 N 2.50 0.17 4.33 1.98 0.52 -1.19 -1.17 118.95 126.08 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 -0.47 0.00 0.00 0.52 0.00 0.00 34.95 34.85 1x1f s ARG 42 CO 0.11 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.64 1x1f n GLY 43 N 4.47 0.72 1.31 -3.53 0.00 -0.31 -1.23 105.19 106.62 1x1f n GLY 43 Ca -0.21 0.58 0.03 0.00 0.00 0.00 0.00 46.02 46.42 1x1f n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x1f n THR 44 N 0.00 0.04 -4.09 2.61 -2.24 -1.26 -4.81 114.28 104.53 1x1f n THR 44 Ca 0.00 -0.86 -0.22 0.00 -2.27 0.00 0.00 64.05 60.70 1x1f n THR 44 Cb 0.00 0.89 -0.17 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.05 0.66 -0.23 4.28 2.01 -0.36 -2.99 115.64 118.95 1x1f s THR 45 Ca 0.28 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 1x1f s THR 45 Cb 0.32 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 72.14 1x1f s THR 45 CO -0.14 0.28 1.09 -0.76 -0.69 0.00 0.00 174.62 174.40 1x1f s LEU 46 N 1.26 4.08 -0.14 4.42 1.43 0.36 -3.20 118.68 126.90 1x1f s LEU 46 Ca -0.05 1.39 -0.05 0.00 -1.03 0.00 0.00 54.13 54.39 1x1f s LEU 46 Cb -0.14 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1x1f s LEU 46 CO -0.02 -0.73 0.03 -0.36 0.23 0.00 0.00 176.35 175.50 1x1f s PHE 47 N 3.35 3.20 -0.11 0.29 0.40 -0.15 0.22 117.98 125.19 1x1f s PHE 47 Ca 0.47 0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.89 1x1f s PHE 47 Cb -0.16 -1.95 -0.00 0.00 0.51 0.00 0.00 43.02 41.42 1x1f s PHE 47 CO 0.09 0.26 -0.21 -0.06 0.70 0.00 0.00 175.22 176.00 1x1f s PHE 48 N -0.15 2.63 0.22 0.36 0.08 0.02 0.13 117.98 121.27 1x1f s PHE 48 Ca 0.06 -0.99 0.11 0.00 0.12 0.00 0.00 56.93 56.23 1x1f s PHE 48 Cb -0.12 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 1x1f s PHE 48 CO 0.02 -0.39 -0.17 0.71 -0.10 0.00 0.00 175.22 175.28 1x1f s TYR 49 N 0.39 2.41 0.08 0.36 1.51 0.13 -1.55 117.35 120.69 1x1f s TYR 49 Ca -0.16 -0.31 -0.26 0.00 -1.01 0.00 0.00 57.07 55.33 1x1f s TYR 49 Cb -0.17 -1.14 -0.16 0.00 -0.11 0.00 0.00 41.96 40.38 1x1f s TYR 49 CO 0.07 0.57 1.71 1.79 -1.11 0.00 0.00 175.55 178.58 1x1f h THR 50 N 2.73 0.81 0.00 -0.71 1.35 -1.93 0.11 112.91 115.27 1x1f h THR 50 Ca -0.45 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1x1f h THR 50 Cb 1.22 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1x1f h THR 50 CO 0.54 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 175.14 1x1f n ASP 51 N -5.20 -0.48 0.00 5.36 -0.08 -1.26 -4.17 116.55 110.72 1x1f n ASP 51 Ca -0.09 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1x1f n ASP 51 Cb 0.13 0.83 0.00 0.00 2.34 0.00 0.00 41.12 44.42 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 -2.62 0.00 -0.09 -0.67 4.81 -1.26 -4.66 118.16 113.67 1x1f n LYS 52 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1x1f n LYS 52 Cb 0.00 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.22 1x1f n LYS 52 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1x1f n LYS 53 N 0.00 1.44 0.32 1.64 4.76 -1.26 -3.84 118.16 121.23 1x1f n LYS 53 Ca 0.00 -0.68 0.20 0.00 -2.87 0.00 0.00 58.31 54.96 1x1f n LYS 53 Cb 0.00 -1.20 1.10 0.00 -1.84 0.00 0.00 35.03 33.09 1x1f n LYS 53 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1x1f h SER 54 N 1.17 0.00 0.00 4.39 4.64 -1.96 -3.45 113.55 118.34 1x1f h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x1f h SER 54 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1x1f h SER 54 CO 0.00 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.58 1x1f n ILE 55 N -3.28 0.00 0.00 0.95 5.41 -1.25 -4.30 119.36 116.89 1x1f n ILE 55 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1x1f n ILE 55 Cb 0.11 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 1x1f n ILE 55 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1x1f n ILE 56 N 0.00 0.00 -3.55 1.39 -0.00 -1.26 -5.13 119.36 110.81 1x1f n ILE 56 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 62.75 62.60 1x1f n ILE 56 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 39.58 1x1f n ILE 56 CO 0.00 0.00 0.00 -0.72 -0.00 0.00 0.00 176.55 175.83 1x1f s TYR 57 N 1.44 -0.57 0.06 1.39 1.13 -1.26 -4.90 117.35 114.63 1x1f s TYR 57 Ca 0.00 1.02 0.00 0.00 -1.41 0.00 0.00 57.07 56.68 1x1f s TYR 57 Cb 0.00 0.41 -0.26 0.00 -1.10 0.00 0.00 41.96 41.02 1x1f s TYR 57 CO 0.00 -0.51 1.05 -0.24 -2.51 0.00 0.00 175.55 173.35 1x1f h VAL 58 N 2.93 1.40 -1.23 -3.49 3.04 -1.62 -3.49 116.25 113.80 1x1f h VAL 58 Ca -0.24 -3.05 0.30 0.00 -1.01 0.00 0.00 66.70 62.70 1x1f h VAL 58 Cb 1.15 2.82 -0.19 0.00 -2.01 0.00 0.00 31.29 33.06 1x1f h VAL 58 CO 0.34 0.86 0.91 -1.81 -1.01 0.00 0.00 177.57 176.86 1x1f s ASP 59 N -6.90 -0.06 0.29 3.17 1.01 -1.19 -5.07 116.67 107.93 1x1f s ASP 59 Ca -0.04 -0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.25 1x1f s ASP 59 Cb 0.08 0.07 -0.03 0.00 1.01 0.00 0.00 42.92 44.04 1x1f s ASP 59 CO 0.85 -0.11 0.21 -1.59 0.21 0.00 0.00 175.17 174.74 1x1f s LYS 60 N -2.20 1.57 0.11 8.23 -2.85 -1.26 -0.80 119.74 122.54 1x1f s LYS 60 Ca 0.11 -1.89 -0.11 0.00 -1.00 0.00 0.00 55.97 53.08 1x1f s LYS 60 Cb -0.00 0.21 0.01 0.00 -2.06 0.00 0.00 37.83 35.99 1x1f s LYS 60 CO -0.03 -0.53 0.26 -0.51 0.10 0.00 0.00 175.35 174.63 1x1f s LEU 61 N -3.32 1.09 -0.11 2.77 1.43 0.13 -4.98 118.68 115.70 1x1f s LEU 61 Ca 0.39 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1x1f s LEU 61 Cb 0.04 1.28 0.01 0.00 0.03 0.00 0.00 46.19 47.55 1x1f s LEU 61 CO 0.21 -0.78 -0.21 -0.62 0.23 0.00 0.00 176.35 175.18 1x1f s ASP 62 N -2.86 2.88 -0.10 2.29 2.15 -1.26 -0.48 116.67 119.30 1x1f s ASP 62 Ca 0.06 -0.53 0.14 0.00 0.43 0.00 0.00 52.55 52.64 1x1f s ASP 62 Cb 0.04 -1.32 0.22 0.00 -0.30 0.00 0.00 42.92 41.55 1x1f s ASP 62 CO -0.10 0.10 1.11 2.30 -0.17 0.00 0.00 175.17 178.41 1x1f n ILE 63 N 3.84 1.35 0.10 4.11 -5.35 -1.16 -4.71 119.36 117.55 1x1f n ILE 63 Ca -0.20 -1.66 -0.01 0.00 -0.27 0.00 0.00 62.75 60.61 1x1f n ILE 63 Cb 0.52 -0.02 0.24 0.00 -1.74 0.00 0.00 39.64 38.65 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 2.06 1.30 -0.45 7.28 3.04 -1.84 -2.23 116.25 125.40 1x1f h VAL 64 Ca -0.00 -1.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.23 1x1f h VAL 64 Cb 1.12 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 1x1f h VAL 64 CO 0.00 0.43 0.00 0.47 -1.01 0.00 0.00 177.57 177.47 1x1f n ASP 65 N -4.05 4.92 -4.61 3.17 9.92 -1.26 -4.96 116.55 119.68 1x1f n ASP 65 Ca -0.01 -2.92 -0.56 0.00 -0.53 0.00 0.00 54.79 50.77 1x1f n ASP 65 Cb 0.46 -0.62 -0.07 0.00 -0.64 0.00 0.00 41.12 40.25 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 0.21 1.45 -0.00 0.64 7.94 -0.84 -4.25 117.00 122.16 1x1f n LEU 66 Ca 0.25 1.12 -0.17 0.00 -1.11 0.00 0.00 56.01 56.10 1x1f n LEU 66 Cb 1.05 -1.10 -0.13 0.00 0.53 0.00 0.00 43.42 43.77 1x1f n LEU 66 CO 0.25 -1.06 0.23 0.74 -1.11 0.00 0.00 177.39 176.44 1x1f h THR 67 N 3.83 1.57 -2.09 1.96 2.02 0.10 -3.49 112.91 116.82 1x1f h THR 67 Ca -0.48 -2.29 0.29 0.00 0.77 0.00 0.00 66.41 64.70 1x1f h THR 67 Cb 1.35 3.05 -0.05 0.00 -1.74 0.00 0.00 68.15 70.76 1x1f h THR 67 CO 0.81 0.63 0.77 0.00 0.37 0.00 0.00 175.52 178.10 1x1f s LEU 69 N 0.00 1.34 0.45 0.00 0.20 -1.26 -1.51 118.68 117.90 1x1f s LEU 69 Ca 0.26 -0.22 0.08 0.00 0.69 0.00 0.00 54.13 54.94 1x1f s LEU 69 Cb -0.01 -0.66 0.02 0.00 -0.43 0.00 0.00 46.19 45.11 1x1f s LEU 69 CO 0.00 -0.05 0.58 0.42 -0.29 0.00 0.00 176.35 177.01 1x1f s THR 70 N 1.09 2.75 -0.14 3.68 -4.23 -0.95 -4.92 115.64 112.91 1x1f s THR 70 Ca -0.08 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.36 1x1f s THR 70 Cb -0.14 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 70.92 1x1f s THR 70 CO -0.01 0.00 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.41 1x1f s GLU 71 N -4.37 1.37 0.08 3.99 2.02 -1.26 -2.14 118.70 118.39 1x1f s GLU 71 Ca 0.55 -0.38 -0.30 0.00 0.02 0.00 0.00 54.97 54.85 1x1f s GLU 71 Cb -0.08 -1.80 -0.05 0.00 0.10 0.00 0.00 34.13 32.29 1x1f s GLU 71 CO 0.33 -0.38 1.10 -0.65 0.02 0.00 0.00 175.26 175.68 1x1f s GLN 72 N 1.69 4.53 0.62 1.61 -1.52 0.35 -4.96 119.66 121.98 1x1f s GLN 72 Ca 0.02 1.64 -0.18 0.00 -1.95 0.00 0.00 55.36 54.90 1x1f s GLN 72 Cb -0.14 -3.36 -0.13 0.00 -0.22 0.00 0.00 33.01 29.16 1x1f s GLN 72 CO -0.08 -0.08 -0.07 0.09 -0.25 0.00 0.00 175.29 174.90 1x1f n ASN 73 N 3.43 -3.41 -4.08 5.90 4.13 -1.26 -4.69 115.26 115.28 1x1f n ASN 73 Ca 0.06 0.58 -0.18 0.00 1.68 0.00 0.00 54.58 56.72 1x1f n ASN 73 Cb 0.48 -0.92 -0.09 0.00 -1.54 0.00 0.00 39.78 37.70 1x1f n ASN 73 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1x1f s SER 74 N -1.08 1.49 0.01 6.41 0.01 -1.26 -5.02 113.70 114.26 1x1f s SER 74 Ca 0.57 -1.52 -0.25 0.00 1.31 0.00 0.00 55.95 56.06 1x1f s SER 74 Cb -0.42 0.33 -0.15 0.00 0.21 0.00 0.00 66.02 65.99 1x1f s SER 74 CO 0.66 -0.85 1.09 0.71 0.41 0.00 0.00 173.24 175.27 1x1f h THR 75 N 2.24 0.21 -0.14 1.44 1.35 -1.96 -3.45 112.91 112.60 1x1f h THR 75 Ca -0.35 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 1x1f h THR 75 Cb 1.25 0.30 -0.15 0.00 -1.73 0.00 0.00 68.15 67.82 1x1f h THR 75 CO 0.54 0.03 -0.11 1.21 -0.25 0.00 0.00 175.52 176.95 1x1f n GLU 76 N -5.30 0.11 -3.39 4.72 0.00 -1.26 -5.03 120.64 110.49 1x1f n GLU 76 Ca -0.11 -0.77 -0.31 0.00 0.00 0.00 0.00 57.16 55.97 1x1f n GLU 76 Cb 0.33 0.04 0.03 0.00 0.00 0.00 0.00 31.44 31.84 1x1f n GLU 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1x1f n LYS 77 N 2.34 -1.99 0.03 5.31 3.00 -1.26 -4.95 118.16 120.64 1x1f n LYS 77 Ca 0.09 1.53 0.00 0.00 -0.00 0.00 0.00 58.31 59.93 1x1f n LYS 77 Cb 0.66 -2.88 0.00 0.00 0.00 0.00 0.00 35.03 32.82 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 -0.41 0.58 -4.18 3.14 5.15 -1.26 -5.11 115.26 113.17 1x1f n ASN 78 Ca -0.06 0.10 -0.11 0.00 -0.60 0.00 0.00 54.58 53.91 1x1f n ASN 78 Cb 0.64 -0.16 -0.10 0.00 -0.53 0.00 0.00 39.78 39.63 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 -4.00 3.42 -0.15 0.00 0.00 -1.26 -5.01 121.76 114.76 1x1f s ALA 80 Ca 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 1x1f s ALA 80 Cb 0.07 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.44 1x1f s ALA 80 CO 0.04 -0.09 0.04 0.15 0.00 0.00 0.00 175.76 175.90 1x1f s LYS 81 N 0.80 0.52 0.04 0.00 1.02 -1.26 -3.40 119.74 117.45 1x1f s LYS 81 Ca 0.31 -0.18 -0.06 0.00 0.02 0.00 0.00 55.97 56.06 1x1f s LYS 81 Cb -0.16 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.46 1x1f s LYS 81 CO 0.14 -0.54 0.11 -0.59 -0.92 0.00 0.00 175.35 173.55 1x1f s PHE 82 N 1.95 0.18 -0.05 3.18 -0.12 -1.23 -0.49 117.98 121.40 1x1f s PHE 82 Ca 0.02 -0.47 0.03 0.00 -0.05 0.00 0.00 56.93 56.46 1x1f s PHE 82 Cb -0.15 -0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.08 1x1f s PHE 82 CO -0.07 -0.37 -0.13 0.99 -0.05 0.00 0.00 175.22 175.59 1x1f s THR 83 N -2.55 3.16 -0.37 -4.49 2.01 -0.91 -2.25 115.64 110.25 1x1f s THR 83 Ca -0.05 -0.69 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 1x1f s THR 83 Cb -0.01 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.26 1x1f s THR 83 CO -0.04 0.59 0.87 -0.76 -0.69 0.00 0.00 174.62 174.59 1x1f s LEU 84 N -0.75 4.05 -0.29 4.42 2.01 0.13 -2.25 118.68 126.00 1x1f s LEU 84 Ca 0.12 0.50 -0.18 0.00 0.01 0.00 0.00 54.13 54.58 1x1f s LEU 84 Cb -0.11 -3.18 -0.02 0.00 0.01 0.00 0.00 46.19 42.90 1x1f s LEU 84 CO 0.01 -0.81 0.50 -0.69 1.01 0.00 0.00 176.35 176.37 1x1f s VAL 85 N 3.33 5.06 0.19 -1.59 1.01 -0.57 -1.31 120.40 126.53 1x1f s VAL 85 Ca 0.36 0.69 0.09 0.00 0.00 0.00 0.00 61.98 63.12 1x1f s VAL 85 Cb -0.12 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1x1f s VAL 85 CO 0.18 -0.00 -0.19 -0.76 0.00 0.00 0.00 175.10 174.33 1x1f s LEU 86 N 2.32 2.48 0.00 3.92 1.43 -1.22 0.15 118.68 127.76 1x1f s LEU 86 Ca 0.20 -0.91 0.23 0.00 -1.03 0.00 0.00 54.13 52.62 1x1f s LEU 86 Cb -0.16 -0.90 1.39 0.00 0.03 0.00 0.00 46.19 46.56 1x1f s LEU 86 CO 0.11 -0.02 1.77 -0.81 0.23 0.00 0.00 176.35 177.62 1x1f n PRO 87 N 0.04 0.75 -0.03 1.29 -0.04 -1.26 -3.56 135.00 132.20 1x1f n PRO 87 Ca -0.11 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.28 1x1f n PRO 87 Cb 0.58 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1x1f n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x1f n LYS 88 N -0.99 0.21 -3.53 0.54 5.02 -1.26 -5.10 118.16 113.06 1x1f n LYS 88 Ca 0.17 0.09 -0.17 0.00 -2.02 0.00 0.00 58.31 56.38 1x1f n LYS 88 Cb 0.08 -0.86 -0.06 0.00 -0.02 0.00 0.00 35.03 34.17 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 -2.27 1.05 0.02 1.97 2.12 -1.23 -5.16 118.70 115.19 1x1f s GLU 89 Ca -0.13 0.18 -0.09 0.00 0.36 0.00 0.00 54.97 55.29 1x1f s GLU 89 Cb 0.03 0.49 -0.05 0.00 0.26 0.00 0.00 34.13 34.87 1x1f s GLU 89 CO 0.17 -0.34 0.33 -1.21 -0.54 0.00 0.00 175.26 173.68 1x1f s GLU 90 N -1.38 3.70 0.12 4.30 2.02 -1.26 -3.40 118.70 122.79 1x1f s GLU 90 Ca -0.10 0.11 0.07 0.00 0.02 0.00 0.00 54.97 55.07 1x1f s GLU 90 Cb -0.00 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 1x1f s GLU 90 CO 0.08 0.64 -0.18 0.08 0.02 0.00 0.00 175.26 175.90 1x1f s VAL 91 N -1.27 1.56 -0.15 2.63 1.01 -0.43 -4.98 120.40 118.77 1x1f s VAL 91 Ca 0.28 -1.63 -0.07 0.00 0.00 0.00 0.00 61.98 60.56 1x1f s VAL 91 Cb -0.14 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1x1f s VAL 91 CO 0.15 -0.22 0.08 -1.10 0.00 0.00 0.00 175.10 174.01 1x1f s GLN 92 N -2.24 3.72 0.11 2.72 -0.21 -0.96 0.17 119.66 122.97 1x1f s GLN 92 Ca 0.08 -0.28 0.08 0.00 0.02 0.00 0.00 55.36 55.25 1x1f s GLN 92 Cb -0.08 -3.17 -0.04 0.00 1.00 0.00 0.00 33.01 30.72 1x1f s GLN 92 CO 0.04 0.47 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.99 1x1f s LEU 93 N -0.19 2.34 -0.16 2.90 1.02 -0.95 -1.89 118.68 121.75 1x1f s LEU 93 Ca 0.08 -0.73 -0.18 0.00 0.02 0.00 0.00 54.13 53.32 1x1f s LEU 93 Cb -0.12 -0.78 0.05 0.00 0.02 0.00 0.00 46.19 45.36 1x1f s LEU 93 CO 0.01 -0.00 0.50 -0.75 0.02 0.00 0.00 176.35 176.13 1x1f s LYS 94 N -2.15 0.64 0.22 1.70 2.36 -0.97 -3.49 119.74 118.05 1x1f s LYS 94 Ca 0.07 0.56 0.09 0.00 -2.55 0.00 0.00 55.97 54.14 1x1f s LYS 94 Cb -0.09 0.31 -0.04 0.00 -1.05 0.00 0.00 37.83 36.96 1x1f s LYS 94 CO 0.04 -0.11 -0.00 0.95 1.55 0.00 0.00 175.35 177.78 1x1f s THR 95 N -0.04 3.56 -0.06 3.43 -4.23 -1.22 -1.91 115.64 115.17 1x1f s THR 95 Ca -0.02 -1.69 -0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1x1f s THR 95 Cb -0.03 -2.85 -0.00 0.00 1.34 0.00 0.00 72.50 70.95 1x1f s THR 95 CO 0.02 -0.25 0.00 -0.33 -0.54 0.00 0.00 174.62 173.52 1x1f h GLU 96 N 2.26 -0.00 -5.83 3.99 5.08 -1.92 -3.43 114.58 114.74 1x1f h GLU 96 Ca -0.46 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.27 1x1f h GLU 96 Cb 1.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1x1f h GLU 96 CO 0.59 -0.00 -0.32 -0.80 -1.00 0.00 0.00 179.01 177.48 1x1f s ASN 97 N -4.59 6.62 0.32 1.42 -0.87 -1.26 -4.93 114.94 111.66 1x1f s ASN 97 Ca -0.00 0.74 0.09 0.00 -1.57 0.00 0.00 52.86 52.12 1x1f s ASN 97 Cb 0.00 -2.18 0.94 0.00 -0.02 0.00 0.00 41.25 39.99 1x1f s ASN 97 CO 0.00 0.34 1.64 0.74 -2.57 0.00 0.00 177.10 177.25 1x1f h THR 98 N 3.89 0.24 0.20 1.60 2.02 -1.89 0.65 112.91 119.63 1x1f h THR 98 Ca -0.52 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 66.59 1x1f h THR 98 Cb 1.22 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1x1f h THR 98 CO 0.61 0.04 -0.52 -0.33 0.37 0.00 0.00 175.52 175.69 1x1f h GLU 99 N 0.21 -0.77 -1.08 6.66 4.39 -1.95 -0.29 114.58 121.76 1x1f h GLU 99 Ca 0.66 0.05 0.40 0.00 0.34 0.00 0.00 59.36 60.81 1x1f h GLU 99 Cb 1.48 0.18 -0.16 0.00 -0.10 0.00 0.00 28.75 30.14 1x1f h GLU 99 CO -0.68 -0.52 0.62 0.77 -1.16 0.00 0.00 179.01 178.05 1x1f h SER 100 N -0.80 0.36 0.07 1.42 0.02 -1.27 -0.16 113.55 113.19 1x1f h SER 100 Ca -0.02 0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1x1f h SER 100 Cb 0.78 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 1x1f h SER 100 CO -0.24 -0.30 -0.09 1.23 -1.14 0.00 0.00 176.83 176.30 1x1f h GLY 101 N 0.11 -0.89 -0.20 -3.77 0.00 -0.80 0.18 103.07 97.72 1x1f h GLY 101 Ca 0.81 0.39 0.27 0.00 0.00 0.00 0.00 47.33 48.81 1x1f h GLY 101 CO -0.64 -0.32 0.66 0.83 0.00 0.00 0.00 176.54 177.07 1x1f h GLU 102 N -0.16 0.41 0.26 4.80 3.07 -0.87 0.58 114.58 122.67 1x1f h GLU 102 Ca -0.01 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1x1f h GLU 102 Cb 0.14 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1x1f h GLU 102 CO -0.02 0.27 -0.13 0.93 -1.40 0.00 0.00 179.01 178.67 1x1f h GLU 103 N 0.42 -0.34 0.35 2.33 5.08 -0.60 0.21 114.58 122.04 1x1f h GLU 103 Ca 0.62 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 59.00 1x1f h GLU 103 Cb 1.49 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 1x1f h GLU 103 CO -0.35 -0.23 -0.40 -1.49 -1.00 0.00 0.00 179.01 175.53 1x1f h TRP 104 N -0.35 -1.13 -0.91 4.33 4.06 0.13 1.54 115.95 123.61 1x1f h TRP 104 Ca -0.04 0.01 0.20 0.00 2.06 0.00 0.00 58.89 61.13 1x1f h TRP 104 Cb 0.27 0.45 -0.17 0.00 -1.00 0.00 0.00 29.16 28.71 1x1f h TRP 104 CO 0.17 -0.52 -0.15 -2.13 -3.56 0.00 0.00 178.44 172.25 1x1f n ARG 105 N -4.84 -0.08 0.17 0.49 0.63 0.20 0.13 116.66 113.36 1x1f n ARG 105 Ca -0.09 1.40 -0.08 0.00 -0.92 0.00 0.00 57.85 58.16 1x1f n ARG 105 Cb 0.36 -2.13 -0.04 0.00 0.45 0.00 0.00 32.46 31.10 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 -0.52 -0.63 5.14 0.00 0.27 -1.30 103.07 106.02 1x1f h GLY 106 Ca 0.47 0.19 0.25 0.00 0.00 0.00 0.00 47.33 48.25 1x1f h GLY 106 CO -0.91 -0.19 0.17 0.74 0.00 0.00 0.00 176.54 176.35 1x1f h PHE 107 N -1.01 0.23 0.59 5.60 0.04 0.37 0.37 116.94 123.13 1x1f h PHE 107 Ca -0.05 0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1x1f h PHE 107 Cb 0.38 0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.59 1x1f h PHE 107 CO 0.01 -0.30 -0.28 0.82 -0.60 0.00 0.00 178.31 177.96 1x1f h ILE 108 N 0.12 0.00 -0.80 -0.55 5.03 0.11 0.29 117.51 121.71 1x1f h ILE 108 Ca 0.57 -0.20 0.23 0.00 -0.12 0.00 0.00 64.86 65.34 1x1f h ILE 108 Cb 1.19 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.95 1x1f h ILE 108 CO -0.75 0.00 0.91 -0.07 -0.68 0.00 0.00 178.15 177.57 1x1f h LEU 109 N -1.00 0.00 0.22 1.44 3.38 0.06 1.65 115.31 121.07 1x1f h LEU 109 Ca -0.08 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.58 1x1f h LEU 109 Cb 0.61 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.39 1x1f h LEU 109 CO 0.13 0.00 -1.40 0.74 0.09 0.00 0.00 178.44 178.00 1x1f h THR 110 N 0.00 1.26 -0.58 0.22 2.02 0.13 0.21 112.91 116.16 1x1f h THR 110 Ca 0.38 -2.63 -0.31 0.00 0.77 0.00 0.00 66.41 64.63 1x1f h THR 110 Cb 2.21 3.02 -0.18 0.00 -1.74 0.00 0.00 68.15 71.45 1x1f h THR 110 CO -0.00 0.80 0.39 1.33 0.37 0.00 0.00 175.52 178.40 1x1f n VAL 111 N -3.78 2.32 0.00 3.16 0.24 0.54 -2.54 118.33 118.27 1x1f n VAL 111 Ca -0.18 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 60.96 1x1f n VAL 111 Cb 1.04 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1x1f n VAL 111 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x1f n THR 112 N -0.43 0.00 0.00 3.34 -2.24 -0.08 -4.70 114.28 110.17 1x1f n THR 112 Ca 0.35 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 1x1f n THR 112 Cb 1.15 -0.15 0.28 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.99 2.47 -2.43 -0.78 1.02 0.73 -4.90 120.64 114.76 1x1f n GLU 113 Ca 0.00 -2.28 -0.00 0.00 -0.02 0.00 0.00 57.16 54.85 1x1f n GLU 113 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 1.37 -0.00 -4.17 -4.62 4.32 -1.05 -4.81 117.00 108.03 1x1f n LEU 114 Ca 0.21 0.48 -0.11 0.00 -0.02 0.00 0.00 56.01 56.57 1x1f n LEU 114 Cb 0.54 -0.98 -0.10 0.00 -1.62 0.00 0.00 43.42 41.26 1x1f n LEU 114 CO 0.15 -0.00 -0.23 -0.55 -1.22 0.00 0.00 177.39 175.54 1x1f s SER 115 N -1.95 0.18 -0.25 -1.43 0.15 -1.25 -4.99 113.70 104.16 1x1f s SER 115 Ca 0.00 -1.29 -0.05 0.00 0.70 0.00 0.00 55.95 55.31 1x1f s SER 115 Cb 0.00 0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1x1f s SER 115 CO 0.00 -0.82 0.00 -0.69 1.20 0.00 0.00 173.24 172.93 1x1f s VAL 116 N -4.11 3.61 -0.16 4.45 1.01 -1.26 -3.80 120.40 120.14 1x1f s VAL 116 Ca 0.33 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1x1f s VAL 116 Cb 0.07 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1x1f s VAL 116 CO 0.08 0.29 1.27 -2.16 0.00 0.00 0.00 175.10 174.59 1x1f s PRO 117 N 1.49 4.23 0.06 2.72 0.04 -1.26 -4.88 135.00 137.40 1x1f s PRO 117 Ca 0.04 1.68 0.25 0.00 0.04 0.00 0.00 61.00 63.01 1x1f s PRO 117 Cb -0.15 -3.77 0.42 0.00 0.04 0.00 0.00 34.50 31.04 1x1f s PRO 117 CO -0.01 -0.71 1.36 1.04 0.04 0.00 0.00 177.00 178.72 1x1f n GLN 118 N 6.60 0.17 -1.22 4.56 6.02 -1.26 -4.14 117.38 128.11 1x1f n GLN 118 Ca 0.14 0.04 -0.19 0.00 -0.01 0.00 0.00 57.00 56.98 1x1f n GLN 118 Cb 0.45 -1.60 -0.09 0.00 1.02 0.00 0.00 30.24 30.01 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x1f n ASN 119 N -1.85 5.93 -4.03 1.08 4.13 -1.26 -4.84 115.26 114.42 1x1f n ASN 119 Ca 0.04 -2.87 -0.25 0.00 1.68 0.00 0.00 54.58 53.17 1x1f n ASN 119 Cb 0.40 -1.29 -0.06 0.00 -1.54 0.00 0.00 39.78 37.29 1x1f n ASN 119 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1x1f n VAL 120 N 1.52 0.00 -0.03 2.41 0.24 -1.26 -5.06 118.33 116.15 1x1f n VAL 120 Ca 0.43 -1.96 0.00 0.00 -2.04 0.00 0.00 64.34 60.77 1x1f n VAL 120 Cb 0.70 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 1x1f n VAL 120 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1x1f n SER 121 N -1.33 0.63 -4.08 -1.34 2.88 -1.26 -5.06 113.62 104.06 1x1f n SER 121 Ca -0.15 -0.82 -0.33 0.00 -1.33 0.00 0.00 58.87 56.24 1x1f n SER 121 Cb 0.52 0.33 0.10 0.00 -0.75 0.00 0.00 64.21 64.41 1x1f n SER 121 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1f n LEU 122 N -0.33 -2.57 0.00 2.46 4.77 -1.26 -5.00 117.00 115.07 1x1f n LEU 122 Ca 0.00 -0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 1x1f n LEU 122 Cb 0.01 -0.71 0.08 0.00 -2.33 0.00 0.00 43.42 40.46 1x1f n LEU 122 CO 0.00 -2.78 0.40 0.18 -1.33 0.00 0.00 177.39 173.86 1x1f n LEU 123 N 0.89 0.00 0.00 2.23 7.99 -1.26 -4.85 117.00 122.00 1x1f n LEU 123 Ca -0.00 -2.11 0.11 0.00 -0.01 0.00 0.00 56.01 53.99 1x1f n LEU 123 Cb 0.64 -0.46 0.49 0.00 -0.11 0.00 0.00 43.42 43.98 1x1f n LEU 123 CO 0.44 -0.79 0.85 -0.81 -1.51 0.00 0.00 177.39 175.57 1x1f n PRO 124 N -2.34 0.07 -0.05 3.23 -0.04 -1.26 -1.31 135.00 133.30 1x1f n PRO 124 Ca 0.15 0.11 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1x1f n PRO 124 Cb 0.54 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.74 -0.96 0.06 0.55 0.00 -1.26 -4.13 105.19 100.18 1x1f n GLY 125 Ca 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 1x1f n GLY 125 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x1f h GLN 126 N 0.00 0.00 -0.68 1.61 1.08 -1.90 -3.37 115.11 111.85 1x1f h GLN 126 Ca -0.38 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 56.95 1x1f h GLN 126 Cb 2.08 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 29.39 1x1f h GLN 126 CO 0.06 0.00 -0.20 0.28 -0.95 0.00 0.00 178.83 178.03 1x1f n VAL 127 N -4.63 -0.31 -0.34 -0.54 0.31 -0.43 0.23 118.33 112.63 1x1f n VAL 127 Ca -0.05 1.57 -0.03 0.00 -0.01 0.00 0.00 64.34 65.82 1x1f n VAL 127 Cb 0.17 -2.14 0.02 0.00 -0.91 0.00 0.00 33.84 30.98 1x1f n VAL 127 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1x1f h ILE 128 N 0.00 0.04 -0.90 2.52 2.04 -1.74 0.23 117.51 119.71 1x1f h ILE 128 Ca 0.30 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.25 1x1f h ILE 128 Cb 0.47 0.04 -0.11 0.00 -0.74 0.00 0.00 36.82 36.48 1x1f h ILE 128 CO -0.69 0.00 -0.51 0.29 0.00 0.00 0.00 178.15 177.23 1x1f n LYS 129 N -5.44 -0.38 -0.28 2.37 4.76 0.62 0.17 118.16 119.98 1x1f n LYS 129 Ca 0.08 1.37 0.05 0.00 -2.87 0.00 0.00 58.31 56.93 1x1f n LYS 129 Cb 0.38 -2.01 0.14 0.00 -1.84 0.00 0.00 35.03 31.69 1x1f n LYS 129 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1x1f h LEU 130 N 0.00 -0.58 0.60 -0.35 3.38 -0.54 1.80 115.31 119.62 1x1f h LEU 130 Ca 0.16 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1x1f h LEU 130 Cb 0.39 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1x1f h LEU 130 CO -0.85 -0.25 -0.40 0.45 0.09 0.00 0.00 178.44 177.48 1x1f h HIS 131 N 0.03 -1.07 0.42 1.13 3.86 0.21 0.35 115.15 120.08 1x1f h HIS 131 Ca 0.42 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.61 1x1f h HIS 131 Cb 0.71 0.39 -0.03 0.00 1.06 0.00 0.00 27.41 29.54 1x1f h HIS 131 CO -0.55 -0.58 -0.50 0.93 0.86 0.00 0.00 177.93 178.09 1x1f h GLU 132 N -0.94 -0.90 -0.86 2.45 5.08 0.97 -0.53 114.58 119.85 1x1f h GLU 132 Ca -0.08 0.06 0.21 0.00 -1.00 0.00 0.00 59.36 58.56 1x1f h GLU 132 Cb 0.77 0.21 -0.15 0.00 0.50 0.00 0.00 28.75 30.07 1x1f h GLU 132 CO 0.06 -0.60 0.05 0.28 -1.00 0.00 0.00 179.01 177.80 1x1f h VAL 133 N -0.94 0.23 0.00 3.13 2.07 0.27 0.90 116.25 121.91 1x1f h VAL 133 Ca -0.05 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1x1f h VAL 133 Cb 0.83 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1x1f h VAL 133 CO -0.10 0.02 0.00 -0.11 0.02 0.00 0.00 177.57 177.39 1x1f n LEU 134 N -5.37 0.00 0.15 2.57 7.94 0.12 -0.33 117.00 122.08 1x1f n LEU 134 Ca 0.18 0.84 0.17 0.00 -1.11 0.00 0.00 56.01 56.09 1x1f n LEU 134 Cb 0.60 -0.34 0.59 0.00 0.53 0.00 0.00 43.42 44.80 1x1f n LEU 134 CO 0.01 -0.34 1.15 -0.33 -1.11 0.00 0.00 177.39 176.77 1x1f h GLU 135 N 0.00 0.00 0.12 1.96 5.08 -0.30 0.56 114.58 121.99 1x1f h GLU 135 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1x1f h GLU 135 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x1f h GLU 135 CO 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 177.95 1x1f h ARG 136 N 0.00 -0.15 -0.14 2.33 2.47 0.20 -3.15 114.38 115.94 1x1f h ARG 136 Ca 0.16 0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 58.69 1x1f h ARG 136 Cb 1.45 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 1x1f h ARG 136 CO -0.00 0.30 -0.73 1.05 0.56 0.00 0.00 179.97 181.15 1x1f h GLU 137 N -0.67 0.63 -0.87 0.04 4.11 0.26 -3.21 114.58 114.87 1x1f h GLU 137 Ca -0.02 -0.50 0.19 0.00 0.07 0.00 0.00 59.36 59.10 1x1f h GLU 137 Cb 0.52 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 29.70 1x1f h GLU 137 CO 0.03 1.12 -0.16 0.87 0.07 0.00 0.00 179.01 180.94 1x1f h LYS 138 N 0.44 0.01 -0.01 1.06 1.57 -0.17 0.54 116.57 120.02 1x1f h LYS 138 Ca -0.04 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1x1f h LYS 138 Cb 1.33 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1x1f h LYS 138 CO 0.14 0.01 -0.16 0.87 -0.57 0.00 0.00 179.45 179.74 1x1f h LYS 139 N 0.01 -0.24 -0.99 3.15 6.56 -1.54 -1.30 116.57 122.22 1x1f h LYS 139 Ca 0.44 0.02 0.36 0.00 -1.06 0.00 0.00 60.65 60.41 1x1f h LYS 139 Cb 0.72 0.05 -0.17 0.00 -0.57 0.00 0.00 32.23 32.26 1x1f h LYS 139 CO -0.87 -0.16 0.42 -0.09 -2.06 0.00 0.00 179.45 176.68 1x1f h ARG 140 N -0.25 0.07 -0.86 3.15 2.43 0.01 1.37 114.38 120.30 1x1f h ARG 140 Ca 0.06 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.40 1x1f h ARG 140 Cb 0.32 -0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 29.75 1x1f h ARG 140 CO -0.16 0.05 0.41 0.00 -1.51 0.00 0.00 179.97 178.75 1x1f h ARG 141 N 0.07 0.50 0.00 0.20 2.47 -0.53 -2.50 114.38 114.59 1x1f h ARG 141 Ca 0.76 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.45 1x1f h ARG 141 Cb 1.86 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 30.07 1x1f h ARG 141 CO -0.77 0.33 0.00 -0.89 0.56 0.00 0.00 179.97 179.21 1x1f n ILE 142 N -4.95 0.00 -0.36 2.04 5.41 0.47 -1.85 119.36 120.12 1x1f n ILE 142 Ca 0.19 1.11 -0.11 0.00 1.00 0.00 0.00 62.75 64.94 1x1f n ILE 142 Cb 0.52 -1.65 -0.08 0.00 -0.71 0.00 0.00 39.64 37.72 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 -0.08 -3.58 0.38 5.08 -1.61 -3.40 114.58 111.37 1x1f h GLU 143 Ca 0.00 0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 1x1f h GLU 143 Cb 0.00 0.02 -0.32 0.00 0.50 0.00 0.00 28.75 28.95 1x1f h GLU 143 CO 0.00 -0.05 -0.72 0.45 -1.00 0.00 0.00 179.01 177.68 1x1f s SER 144 N -5.39 0.04 0.00 1.42 0.15 -0.77 -5.12 113.70 104.03 1x1f s SER 144 Ca -0.13 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1x1f s SER 144 Cb 0.11 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1x1f s SER 144 CO 0.63 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.59 1x1f n GLY 145 N 3.83 0.31 3.78 9.45 0.00 -0.91 -3.57 105.19 118.08 1x1f n GLY 145 Ca -0.23 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.89 0.54 -0.03 1.61 0.04 -1.26 -4.94 135.00 129.06 1x1f s PRO 146 Ca 0.00 0.06 -0.00 0.00 0.04 0.00 0.00 61.00 61.09 1x1f s PRO 146 Cb 0.00 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.78 1x1f s PRO 146 CO 0.00 -2.56 0.02 -1.12 0.04 0.00 0.00 177.00 173.38 1x1f s SER 147 N -4.20 0.31 0.12 6.66 0.01 -1.26 -4.79 113.70 110.54 1x1f s SER 147 Ca 0.68 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.95 1x1f s SER 147 Cb -0.11 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1x1f s SER 147 CO 0.54 -0.13 0.00 -0.24 0.41 0.00 0.00 173.24 173.82 1x1f n SER 148 N 4.27 0.67 0.00 2.44 2.88 -1.26 -5.27 113.62 117.35 1x1f n SER 148 Ca -0.25 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1x1f n SER 148 Cb 0.50 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42