#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 6.23 0.28 1.61 1.04 -1.26 -4.90 113.70 116.71 1x1f s SER 2 Ca 0.00 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1x1f s SER 2 Cb 0.00 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1x1f s SER 2 CO 0.00 -0.35 0.00 -1.20 0.98 0.00 0.00 173.24 172.67 1x1f n SER 3 N 5.48 -3.98 0.00 7.02 7.64 -1.26 -5.09 113.62 123.43 1x1f n SER 3 Ca -0.08 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1x1f n SER 3 Cb 0.49 -1.90 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 1x1f n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1f n GLY 4 N -2.10 1.81 7.00 0.23 0.00 -1.26 -5.15 105.19 105.72 1x1f n GLY 4 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.22 0.02 1.61 2.88 -1.26 -4.72 113.62 110.92 1x1f n SER 5 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x1f n SER 5 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x1f n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x1f n SER 6 N -3.47 0.49 0.00 -3.46 7.64 -1.26 -5.08 113.62 108.48 1x1f n SER 6 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1x1f n SER 6 Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1x1f n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1f n GLY 7 N 3.17 1.74 5.15 0.23 0.00 -1.26 -4.98 105.19 109.23 1x1f n GLY 7 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1x1f n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x1f n GLN 8 N 0.00 0.00 -3.96 1.61 6.02 -1.26 -4.62 117.38 115.17 1x1f n GLN 8 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 1x1f n GLN 8 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1x1f n GLN 8 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1x1f s GLU 9 N 0.00 3.38 0.09 -1.09 2.02 -1.26 -5.03 118.70 116.81 1x1f s GLU 9 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1x1f s GLU 9 Cb 0.00 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.37 1x1f s GLU 9 CO 0.00 0.41 0.00 0.54 0.02 0.00 0.00 175.26 176.23 1x1f n ARG 10 N -1.40 0.00 -2.84 1.61 1.74 -1.26 -5.12 116.66 109.39 1x1f n ARG 10 Ca -0.08 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.98 1x1f n ARG 10 Cb 0.57 -0.20 -0.01 0.00 -1.02 0.00 0.00 32.46 31.80 1x1f n ARG 10 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1x1f n LEU 11 N -3.03 -6.03 -4.45 0.55 4.77 -1.26 -4.99 117.00 102.57 1x1f n LEU 11 Ca 0.00 1.41 -0.33 0.00 -0.03 0.00 0.00 56.01 57.06 1x1f n LEU 11 Cb 0.12 -2.67 -0.13 0.00 -2.33 0.00 0.00 43.42 38.40 1x1f n LEU 11 CO 0.00 -3.04 -0.45 -0.75 -1.33 0.00 0.00 177.39 171.81 1x1f s LYS 12 N -0.96 2.71 -0.04 3.23 2.20 -1.26 -5.10 119.74 120.52 1x1f s LYS 12 Ca -0.08 -0.70 -0.26 0.00 -0.36 0.00 0.00 55.97 54.57 1x1f s LYS 12 Cb 0.01 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.86 1x1f s LYS 12 CO 0.50 0.52 0.79 0.42 -0.36 0.00 0.00 175.35 177.22 1x1f s ILE 13 N -0.47 4.97 -0.13 5.43 1.09 -1.26 -4.53 121.20 126.30 1x1f s ILE 13 Ca 0.06 1.65 -0.04 0.00 -1.10 0.00 0.00 60.65 61.22 1x1f s ILE 13 Cb -0.12 -4.13 0.02 0.00 -1.06 0.00 0.00 42.46 37.16 1x1f s ILE 13 CO 0.02 0.23 0.08 0.41 -0.10 0.00 0.00 174.94 175.58 1x1f n THR 14 N 3.75 -7.45 -3.72 2.92 -1.04 -1.26 -5.03 114.28 102.45 1x1f n THR 14 Ca 0.01 1.40 -0.12 0.00 -2.04 0.00 0.00 64.05 63.30 1x1f n THR 14 Cb 0.51 -4.88 -0.12 0.00 -1.82 0.00 0.00 70.33 64.02 1x1f n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x1f s ALA 15 N -0.79 -0.69 0.47 2.41 0.00 -1.26 -5.14 121.76 116.77 1x1f s ALA 15 Ca -0.09 1.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.76 1x1f s ALA 15 Cb 0.01 -0.69 -0.10 0.00 0.00 0.00 0.00 23.12 22.34 1x1f s ALA 15 CO 0.43 -0.21 0.76 1.28 0.00 0.00 0.00 175.76 178.02 1x1f n LEU 16 N 4.13 1.57 -4.66 0.00 4.77 -1.26 -4.86 117.00 116.68 1x1f n LEU 16 Ca -0.24 0.90 -0.43 0.00 -0.03 0.00 0.00 56.01 56.22 1x1f n LEU 16 Cb 0.54 -1.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 1x1f n LEU 16 CO 0.13 -2.29 1.07 -2.16 -1.33 0.00 0.00 177.39 172.82 1x1f s PRO 17 N -1.99 4.25 0.51 3.23 0.04 -1.26 -4.91 135.00 134.86 1x1f s PRO 17 Ca 0.66 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 63.18 1x1f s PRO 17 Cb -0.53 -3.74 -0.07 0.00 0.04 0.00 0.00 34.50 30.20 1x1f s PRO 17 CO 0.55 -0.67 1.06 -1.17 0.04 0.00 0.00 177.00 176.81 1x1f s LEU 18 N 3.31 3.79 0.01 -3.56 2.96 -1.26 -2.62 118.68 121.30 1x1f s LEU 18 Ca 0.55 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 1x1f s LEU 18 Cb -0.23 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 41.90 1x1f s LEU 18 CO 0.16 -0.91 0.00 -1.22 -1.32 0.00 0.00 176.35 173.06 1x1f n TYR 19 N -1.14 -0.03 -3.78 5.38 4.01 -0.62 -4.95 117.16 116.03 1x1f n TYR 19 Ca 0.10 0.01 -0.11 0.00 -0.16 0.00 0.00 57.90 57.73 1x1f n TYR 19 Cb 0.52 0.20 -0.08 0.00 -0.31 0.00 0.00 39.34 39.67 1x1f n TYR 19 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1x1f s PHE 20 N -2.00 -0.08 0.01 -0.72 5.36 -1.21 -5.04 117.98 114.30 1x1f s PHE 20 Ca 0.00 -0.05 -0.11 0.00 -0.96 0.00 0.00 56.93 55.81 1x1f s PHE 20 Cb 0.00 0.06 0.01 0.00 -0.34 0.00 0.00 43.02 42.76 1x1f s PHE 20 CO 0.00 -0.47 0.23 -1.83 -1.46 0.00 0.00 175.22 171.69 1x1f s GLU 21 N -2.38 0.63 0.00 10.12 1.03 -1.26 -0.11 118.70 126.73 1x1f s GLU 21 Ca -0.06 -0.36 0.00 0.00 0.03 0.00 0.00 54.97 54.57 1x1f s GLU 21 Cb -0.02 0.27 0.00 0.00 -0.80 0.00 0.00 34.13 33.58 1x1f s GLU 21 CO -0.02 -0.17 0.00 0.41 -1.33 0.00 0.00 175.26 174.15 1x1f n GLY 22 N 1.17 3.40 3.49 -3.83 0.00 -1.01 -5.03 105.19 103.38 1x1f n GLY 22 Ca -0.21 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.82 1.40 -4.12 1.61 3.72 -1.26 -3.58 117.46 114.42 1x1f n PHE 23 Ca 0.00 0.23 -0.22 0.00 -0.05 0.00 0.00 57.45 57.41 1x1f n PHE 23 Cb 0.00 -2.55 -0.05 0.00 -0.94 0.00 0.00 39.48 35.95 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 8.93 3.73 -0.20 4.37 2.96 -0.88 -4.75 118.68 132.84 1x1f s LEU 24 Ca 1.11 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.68 1x1f s LEU 24 Cb -0.72 -2.26 -0.00 0.00 0.50 0.00 0.00 46.19 43.71 1x1f s LEU 24 CO 0.42 -0.05 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.54 1x1f s LEU 25 N -3.83 2.63 -0.15 -0.68 1.43 -1.04 -2.16 118.68 114.88 1x1f s LEU 25 Ca 0.33 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1x1f s LEU 25 Cb -0.08 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1x1f s LEU 25 CO 0.24 0.01 -0.07 -0.63 0.23 0.00 0.00 176.35 176.13 1x1f s ILE 26 N 1.29 3.57 -0.54 -0.59 -1.09 -1.21 -2.24 121.20 120.39 1x1f s ILE 26 Ca 0.03 -0.47 0.07 0.00 -2.23 0.00 0.00 60.65 58.05 1x1f s ILE 26 Cb -0.14 -2.55 0.24 0.00 -1.58 0.00 0.00 42.46 38.43 1x1f s ILE 26 CO -0.05 0.50 0.62 1.17 -1.23 0.00 0.00 174.94 175.95 1x1f n LYS 27 N 3.60 1.66 0.00 2.79 4.81 -1.04 -3.63 118.16 126.35 1x1f n LYS 27 Ca -0.18 -4.03 0.00 0.00 -0.87 0.00 0.00 58.31 53.24 1x1f n LYS 27 Cb 0.52 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.75 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 1.24 -0.94 0.00 1.64 1.74 -1.26 -3.78 116.66 115.30 1x1f n ARG 28 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1x1f n ARG 28 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1x1f n ARG 28 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1x1f n SER 29 N -2.15 0.00 0.00 0.55 7.64 -1.26 -4.45 113.62 113.95 1x1f n SER 29 Ca 0.00 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1x1f n SER 29 Cb 0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1x1f n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1f n GLY 30 N -0.93 -2.91 5.11 0.23 0.00 -1.26 -4.50 105.19 100.93 1x1f n GLY 30 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -0.67 1.61 4.01 -1.26 -4.60 117.16 116.25 1x1f n TYR 31 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1x1f n TYR 31 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.00 0.00 -3.62 -0.72 3.00 -1.26 -4.98 116.66 109.08 1x1f n ARG 32 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 1x1f n ARG 32 Cb 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 32.46 30.72 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 -0.33 0.55 0.10 -0.14 -1.05 -1.26 -5.13 118.70 111.43 1x1f s GLU 33 Ca 0.00 1.02 -0.31 0.00 -0.15 0.00 0.00 54.97 55.53 1x1f s GLU 33 Cb 0.00 0.22 -0.10 0.00 -0.44 0.00 0.00 34.13 33.81 1x1f s GLU 33 CO 0.00 -0.13 1.86 0.71 0.95 0.00 0.00 175.26 178.66 1x1f s TYR 34 N 1.74 1.93 -0.07 4.83 2.02 -1.26 -4.86 117.35 121.67 1x1f s TYR 34 Ca -0.09 -0.13 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1x1f s TYR 34 Cb -0.05 -4.20 -0.03 0.00 -0.40 0.00 0.00 41.96 37.28 1x1f s TYR 34 CO -0.18 -5.05 -0.01 -1.21 -1.57 0.00 0.00 175.55 167.53 1x1f s GLU 35 N 3.17 2.92 -0.14 -0.62 0.41 -1.24 -4.96 118.70 118.24 1x1f s GLU 35 Ca 0.83 -0.46 -0.29 0.00 -0.41 0.00 0.00 54.97 54.65 1x1f s GLU 35 Cb -0.45 -2.74 -0.01 0.00 -1.78 0.00 0.00 34.13 29.15 1x1f s GLU 35 CO 0.38 0.69 0.97 -1.01 -0.49 0.00 0.00 175.26 175.80 1x1f s HIS 36 N -0.90 3.47 -0.07 1.61 3.76 -1.26 -3.35 115.29 118.55 1x1f s HIS 36 Ca 0.14 1.50 -0.05 0.00 -0.15 0.00 0.00 55.06 56.50 1x1f s HIS 36 Cb -0.11 -3.16 0.03 0.00 1.11 0.00 0.00 32.58 30.44 1x1f s HIS 36 CO 0.03 -0.26 0.18 0.71 -0.85 0.00 0.00 174.74 174.55 1x1f s TYR 37 N 2.21 -0.21 -0.95 1.40 2.02 -0.92 -4.97 117.35 115.93 1x1f s TYR 37 Ca 0.45 0.53 -0.25 0.00 -0.37 0.00 0.00 57.07 57.43 1x1f s TYR 37 Cb -0.17 0.03 -0.14 0.00 -0.40 0.00 0.00 41.96 41.28 1x1f s TYR 37 CO 0.15 -0.14 2.17 -0.46 -1.57 0.00 0.00 175.55 175.70 1x1f s TRP 38 N 0.57 1.41 -0.00 2.71 -0.11 0.50 -2.07 118.94 121.96 1x1f s TRP 38 Ca -0.04 1.58 -0.28 0.00 1.22 0.00 0.00 56.10 58.58 1x1f s TRP 38 Cb -0.05 -3.61 -0.04 0.00 -1.50 0.00 0.00 33.47 28.27 1x1f s TRP 38 CO -0.03 -1.31 0.91 0.99 -4.62 0.00 0.00 176.95 172.89 1x1f s THR 39 N 13.90 4.87 -0.11 5.86 2.01 -1.23 -0.28 115.64 140.66 1x1f s THR 39 Ca 0.81 1.91 0.03 0.00 0.31 0.00 0.00 61.69 64.75 1x1f s THR 39 Cb -0.08 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.19 1x1f s THR 39 CO 0.10 0.21 -0.20 -1.61 -0.69 0.00 0.00 174.62 172.42 1x1f s GLU 40 N 0.81 2.66 -0.28 4.92 2.02 0.35 -2.39 118.70 126.80 1x1f s GLU 40 Ca 0.48 -0.74 -0.19 0.00 0.02 0.00 0.00 54.97 54.54 1x1f s GLU 40 Cb -0.20 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 1x1f s GLU 40 CO 0.26 0.06 0.58 -1.17 0.02 0.00 0.00 175.26 175.01 1x1f s LEU 41 N 0.64 4.10 -0.03 1.80 0.20 0.84 -1.62 118.68 124.61 1x1f s LEU 41 Ca -0.13 0.50 -0.01 0.00 0.69 0.00 0.00 54.13 55.19 1x1f s LEU 41 Cb -0.16 -2.76 0.03 0.00 -0.43 0.00 0.00 46.19 42.87 1x1f s LEU 41 CO 0.03 -0.39 0.04 -0.13 -0.29 0.00 0.00 176.35 175.62 1x1f s ARG 42 N 2.47 -0.04 2.52 1.98 0.52 -1.23 -1.60 118.95 123.57 1x1f s ARG 42 Ca 0.24 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.70 1x1f s ARG 42 Cb -0.15 -0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.01 1x1f s ARG 42 CO 0.10 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1x1f n GLY 43 N 4.47 0.33 0.68 -3.53 0.00 -1.08 -0.79 105.19 105.28 1x1f n GLY 43 Ca -0.22 0.65 -0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.10 2.61 -2.24 -1.26 -4.84 114.28 104.45 1x1f n THR 44 Ca 0.00 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 1x1f n THR 44 Cb 0.00 0.43 -0.17 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.53 -0.32 4.28 2.01 0.03 -3.42 115.64 119.74 1x1f s THR 45 Ca 0.05 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 1x1f s THR 45 Cb 0.05 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 71.14 1x1f s THR 45 CO -0.02 0.45 1.26 -0.76 -0.69 0.00 0.00 174.62 174.85 1x1f s LEU 46 N 1.40 3.86 -0.26 4.42 1.43 -0.66 -3.49 118.68 125.38 1x1f s LEU 46 Ca 0.03 1.11 -0.07 0.00 -1.03 0.00 0.00 54.13 54.16 1x1f s LEU 46 Cb -0.13 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1x1f s LEU 46 CO -0.09 -1.08 0.08 -0.36 0.23 0.00 0.00 176.35 175.13 1x1f s PHE 47 N 4.31 3.10 -0.11 0.29 0.08 -0.64 0.15 117.98 125.17 1x1f s PHE 47 Ca 0.54 -0.53 -0.05 0.00 0.12 0.00 0.00 56.93 57.01 1x1f s PHE 47 Cb -0.15 -2.25 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 1x1f s PHE 47 CO 0.23 -0.41 0.08 -0.06 -0.10 0.00 0.00 175.22 174.96 1x1f s PHE 48 N 1.60 3.39 0.12 0.36 0.08 0.15 0.13 117.98 123.80 1x1f s PHE 48 Ca 0.06 0.36 0.03 0.00 0.12 0.00 0.00 56.93 57.50 1x1f s PHE 48 Cb -0.16 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1x1f s PHE 48 CO 0.04 0.59 -0.08 0.71 -0.10 0.00 0.00 175.22 176.37 1x1f s TYR 49 N -0.88 1.05 0.01 0.36 2.02 0.62 -1.20 117.35 119.32 1x1f s TYR 49 Ca 0.14 -0.81 0.05 0.00 -0.37 0.00 0.00 57.07 56.08 1x1f s TYR 49 Cb -0.12 -0.57 -0.24 0.00 -0.40 0.00 0.00 41.96 40.63 1x1f s TYR 49 CO 0.03 -0.04 0.86 1.79 -1.57 0.00 0.00 175.55 176.63 1x1f h THR 50 N 3.01 1.15 -1.94 -0.71 1.35 -1.86 1.47 112.91 115.39 1x1f h THR 50 Ca -0.36 -2.90 0.07 0.00 -0.55 0.00 0.00 66.41 62.67 1x1f h THR 50 Cb 1.18 2.64 -0.19 0.00 -1.73 0.00 0.00 68.15 70.04 1x1f h THR 50 CO 0.62 0.73 0.46 -1.81 -0.25 0.00 0.00 175.52 175.28 1x1f s ASP 51 N -6.57 -0.42 0.61 5.36 1.01 -1.26 -4.60 116.67 110.81 1x1f s ASP 51 Ca -0.05 0.29 0.33 0.00 0.71 0.00 0.00 52.55 53.82 1x1f s ASP 51 Cb 0.08 0.38 1.90 0.00 1.01 0.00 0.00 42.92 46.29 1x1f s ASP 51 CO 0.83 -0.51 2.21 0.07 0.21 0.00 0.00 175.17 177.98 1x1f h LYS 52 N 2.40 0.00 -0.00 8.23 2.10 -1.96 0.35 116.57 127.69 1x1f h LYS 52 Ca -0.21 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.35 1x1f h LYS 52 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1x1f h LYS 52 CO 0.32 0.00 -0.40 0.87 -2.00 0.00 0.00 179.45 178.25 1x1f h LYS 53 N 0.00 0.01 -6.66 0.07 1.79 -1.95 -3.42 116.57 106.40 1x1f h LYS 53 Ca 0.03 -0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.98 1x1f h LYS 53 Cb 0.20 -0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1x1f h LYS 53 CO -0.00 0.40 0.54 -1.12 -1.08 0.00 0.00 179.45 178.19 1x1f s SER 54 N -6.93 7.13 -0.14 0.86 0.01 0.12 -4.94 113.70 109.81 1x1f s SER 54 Ca -0.03 2.20 -0.10 0.00 1.31 0.00 0.00 55.95 59.33 1x1f s SER 54 Cb 0.14 -2.61 -0.25 0.00 0.21 0.00 0.00 66.02 63.52 1x1f s SER 54 CO 0.73 -0.34 0.33 -0.38 0.41 0.00 0.00 173.24 174.00 1x1f n ILE 55 N 2.45 1.73 -3.32 1.44 -0.00 -1.26 -4.86 119.36 115.54 1x1f n ILE 55 Ca 0.04 -0.51 -0.34 0.00 -0.00 0.00 0.00 62.75 61.94 1x1f n ILE 55 Cb 0.45 -1.81 -0.06 0.00 -0.00 0.00 0.00 39.64 38.22 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 -2.51 4.83 -0.16 1.39 1.09 -1.26 -5.05 121.20 119.53 1x1f s ILE 56 Ca -0.24 0.76 -0.23 0.00 -1.10 0.00 0.00 60.65 59.84 1x1f s ILE 56 Cb 0.06 -3.68 -0.02 0.00 -1.06 0.00 0.00 42.46 37.76 1x1f s ILE 56 CO 0.73 0.06 0.71 -0.72 -0.10 0.00 0.00 174.94 175.62 1x1f s TYR 57 N -1.68 3.44 0.27 3.97 -0.85 -1.26 -4.76 117.35 116.47 1x1f s TYR 57 Ca 0.44 1.10 -0.01 0.00 -0.52 0.00 0.00 57.07 58.09 1x1f s TYR 57 Cb -0.13 -2.87 0.59 0.00 0.38 0.00 0.00 41.96 39.93 1x1f s TYR 57 CO 0.20 -0.13 1.69 -0.24 -1.52 0.00 0.00 175.55 175.54 1x1f h VAL 58 N 5.09 0.48 -2.74 -3.49 3.04 -1.50 -3.43 116.25 113.69 1x1f h VAL 58 Ca -0.33 -0.11 -0.04 0.00 -1.01 0.00 0.00 66.70 65.21 1x1f h VAL 58 Cb 1.15 0.13 -0.15 0.00 -2.01 0.00 0.00 31.29 30.41 1x1f h VAL 58 CO 0.79 0.06 0.13 -1.81 -1.01 0.00 0.00 177.57 175.73 1x1f s ASP 59 N -5.21 -0.52 0.10 3.17 1.01 -1.16 -5.05 116.67 109.01 1x1f s ASP 59 Ca -0.12 0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.34 1x1f s ASP 59 Cb 0.23 0.54 -0.04 0.00 1.01 0.00 0.00 42.92 44.66 1x1f s ASP 59 CO 0.77 -0.80 -0.04 -1.59 0.21 0.00 0.00 175.17 173.71 1x1f s LYS 60 N -2.77 0.83 0.41 8.23 -2.85 -1.26 0.30 119.74 122.63 1x1f s LYS 60 Ca -0.04 -1.35 0.04 0.00 -1.00 0.00 0.00 55.97 53.63 1x1f s LYS 60 Cb -0.00 -0.11 -0.02 0.00 -2.06 0.00 0.00 37.83 35.64 1x1f s LYS 60 CO -0.04 -0.07 0.15 1.28 0.10 0.00 0.00 175.35 176.77 1x1f n LEU 61 N -0.04 0.00 -3.70 2.77 4.77 0.40 -4.96 117.00 116.24 1x1f n LEU 61 Ca -0.11 -3.12 -0.13 0.00 -0.03 0.00 0.00 56.01 52.61 1x1f n LEU 61 Cb 0.61 1.05 -0.13 0.00 -2.33 0.00 0.00 43.42 42.62 1x1f n LEU 61 CO 0.30 -0.48 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.13 1x1f s ASP 62 N -3.50 0.04 -0.07 -1.43 2.15 -1.26 -1.65 116.67 110.95 1x1f s ASP 62 Ca 0.21 0.54 0.10 0.00 0.43 0.00 0.00 52.55 53.84 1x1f s ASP 62 Cb 0.01 0.52 0.15 0.00 -0.30 0.00 0.00 42.92 43.31 1x1f s ASP 62 CO 0.15 -0.20 1.04 2.30 -0.17 0.00 0.00 175.17 178.29 1x1f n ILE 63 N 4.75 1.19 -0.31 4.11 -5.35 -1.22 -4.74 119.36 117.79 1x1f n ILE 63 Ca -0.16 -1.39 -0.05 0.00 -0.27 0.00 0.00 62.75 60.88 1x1f n ILE 63 Cb 0.51 0.14 0.08 0.00 -1.74 0.00 0.00 39.64 38.63 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 1.74 1.25 -0.39 7.28 3.04 -1.83 -0.10 116.25 127.24 1x1f h VAL 64 Ca 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1x1f h VAL 64 Cb 1.00 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 1x1f h VAL 64 CO 0.00 0.29 0.00 0.47 -1.01 0.00 0.00 177.57 177.32 1x1f n ASP 65 N -4.36 3.42 -4.57 3.17 8.00 -1.26 -4.90 116.55 116.05 1x1f n ASP 65 Ca 0.08 -2.38 -0.55 0.00 0.71 0.00 0.00 54.79 52.66 1x1f n ASP 65 Cb 0.11 -0.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.63 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 0.54 1.17 0.07 0.64 7.94 -0.05 -4.24 117.00 123.07 1x1f n LEU 66 Ca 0.17 1.13 -0.13 0.00 -1.11 0.00 0.00 56.01 56.06 1x1f n LEU 66 Cb 0.68 -1.10 -0.14 0.00 0.53 0.00 0.00 43.42 43.40 1x1f n LEU 66 CO 0.17 -1.27 -0.13 0.74 -1.11 0.00 0.00 177.39 175.79 1x1f h THR 67 N 3.39 1.39 0.00 1.96 2.02 0.17 -3.49 112.91 118.36 1x1f h THR 67 Ca -0.49 -3.04 0.00 0.00 0.77 0.00 0.00 66.41 63.65 1x1f h THR 67 Cb 1.36 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 70.59 1x1f h THR 67 CO 0.76 0.86 0.00 0.00 0.37 0.00 0.00 175.52 177.50 1x1f s LEU 69 N 0.00 1.17 0.53 0.00 0.20 -1.26 -1.66 118.68 117.66 1x1f s LEU 69 Ca 0.00 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.82 1x1f s LEU 69 Cb 0.00 -0.20 0.01 0.00 -0.43 0.00 0.00 46.19 45.57 1x1f s LEU 69 CO 0.00 -0.10 0.09 0.28 -0.29 0.00 0.00 176.35 176.33 1x1f s THR 70 N 1.00 1.16 -0.02 3.68 -1.32 -1.11 -4.95 115.64 114.08 1x1f s THR 70 Ca -0.10 -1.88 0.06 0.00 -1.21 0.00 0.00 61.69 58.55 1x1f s THR 70 Cb -0.13 -2.04 -0.01 0.00 -1.51 0.00 0.00 72.50 68.80 1x1f s THR 70 CO -0.02 0.00 -0.19 -1.61 -2.21 0.00 0.00 174.62 170.59 1x1f s GLU 71 N -3.99 1.70 0.07 7.08 2.02 -1.26 -1.85 118.70 122.46 1x1f s GLU 71 Ca 0.09 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.42 1x1f s GLU 71 Cb -0.00 -1.58 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 1x1f s GLU 71 CO 0.05 0.38 0.02 -0.65 0.02 0.00 0.00 175.26 175.08 1x1f s GLN 72 N -0.32 2.68 -0.05 1.61 -1.52 -0.89 -4.95 119.66 116.22 1x1f s GLN 72 Ca 0.04 -0.76 -0.09 0.00 -1.95 0.00 0.00 55.36 52.61 1x1f s GLN 72 Cb -0.09 -2.62 0.02 0.00 -0.22 0.00 0.00 33.01 30.10 1x1f s GLN 72 CO 0.00 0.56 0.21 0.54 -0.25 0.00 0.00 175.29 176.36 1x1f s ASN 73 N -2.21 -0.15 0.14 5.90 4.22 -1.26 -4.76 114.94 116.81 1x1f s ASN 73 Ca 0.26 0.19 0.00 0.00 -2.14 0.00 0.00 52.86 51.17 1x1f s ASN 73 Cb -0.12 0.36 0.00 0.00 1.28 0.00 0.00 41.25 42.77 1x1f s ASN 73 CO 0.18 -0.23 0.00 -1.20 -2.04 0.00 0.00 177.10 173.81 1x1f n SER 74 N 2.23 -1.24 0.02 3.54 7.64 -1.26 -4.99 113.62 119.55 1x1f n SER 74 Ca -0.17 0.58 -0.10 0.00 1.01 0.00 0.00 58.87 60.19 1x1f n SER 74 Cb 0.57 1.47 -0.08 0.00 -1.01 0.00 0.00 64.21 65.17 1x1f n SER 74 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1x1f h THR 75 N 0.00 0.91 -1.10 0.44 1.35 -2.07 -3.49 112.91 108.95 1x1f h THR 75 Ca 0.00 -1.33 0.34 0.00 -0.55 0.00 0.00 66.41 64.87 1x1f h THR 75 Cb 0.00 1.60 -0.19 0.00 -1.73 0.00 0.00 68.15 67.83 1x1f h THR 75 CO 0.00 0.26 0.96 -0.70 -0.25 0.00 0.00 175.52 175.79 1x1f s GLU 76 N -2.96 0.07 -0.79 4.72 2.12 -1.26 -5.09 118.70 115.51 1x1f s GLU 76 Ca -0.12 -0.03 -0.06 0.00 0.36 0.00 0.00 54.97 55.12 1x1f s GLU 76 Cb -0.00 0.03 0.20 0.00 0.26 0.00 0.00 34.13 34.62 1x1f s GLU 76 CO 0.45 -0.03 0.67 0.21 -0.54 0.00 0.00 175.26 176.02 1x1f s LYS 77 N -2.09 3.16 0.05 4.30 2.20 -1.26 -4.75 119.74 121.35 1x1f s LYS 77 Ca 0.12 -2.76 0.00 0.00 -0.36 0.00 0.00 55.97 52.97 1x1f s LYS 77 Cb 0.01 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 1x1f s LYS 77 CO -0.04 -1.23 0.00 0.09 -0.36 0.00 0.00 175.35 173.81 1x1f n ASN 78 N 3.26 0.54 -4.92 1.43 4.13 -1.26 -5.08 115.26 113.35 1x1f n ASN 78 Ca 0.14 0.08 -0.20 0.00 1.68 0.00 0.00 54.58 56.27 1x1f n ASN 78 Cb 0.40 -0.16 0.07 0.00 -1.54 0.00 0.00 39.78 38.55 1x1f n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x1f s ALA 80 N -2.77 3.43 -0.21 0.00 0.00 -1.25 -4.91 121.76 116.05 1x1f s ALA 80 Ca 0.62 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1x1f s ALA 80 Cb -0.07 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1x1f s ALA 80 CO 0.40 -1.45 -0.13 0.15 0.00 0.00 0.00 175.76 174.72 1x1f s LYS 81 N 2.96 2.36 0.04 0.00 1.02 -1.26 -3.83 119.74 121.03 1x1f s LYS 81 Ca 0.29 -0.95 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 1x1f s LYS 81 Cb -0.14 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1x1f s LYS 81 CO 0.16 -0.39 -0.02 -0.59 -0.92 0.00 0.00 175.35 173.59 1x1f s PHE 82 N 1.30 0.39 -0.07 3.18 -0.12 -1.14 -2.10 117.98 119.42 1x1f s PHE 82 Ca -0.01 -0.82 0.03 0.00 -0.05 0.00 0.00 56.93 56.08 1x1f s PHE 82 Cb -0.16 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 41.91 1x1f s PHE 82 CO -0.09 -0.30 -0.15 0.99 -0.05 0.00 0.00 175.22 175.62 1x1f s THR 83 N -2.86 2.99 -0.46 -4.49 2.01 -0.77 -1.80 115.64 110.25 1x1f s THR 83 Ca -0.03 -0.73 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 1x1f s THR 83 Cb 0.00 -2.18 0.03 0.00 0.01 0.00 0.00 72.50 70.36 1x1f s THR 83 CO -0.06 0.57 0.96 -0.76 -0.69 0.00 0.00 174.62 174.64 1x1f s LEU 84 N -0.44 3.95 -0.20 4.42 2.01 0.15 -2.73 118.68 125.83 1x1f s LEU 84 Ca 0.05 0.18 -0.27 0.00 0.01 0.00 0.00 54.13 54.10 1x1f s LEU 84 Cb -0.12 -3.25 -0.00 0.00 0.01 0.00 0.00 46.19 42.82 1x1f s LEU 84 CO 0.02 -1.08 0.92 -0.69 1.01 0.00 0.00 176.35 176.53 1x1f s VAL 85 N 3.86 4.80 0.18 -1.59 1.01 -0.67 -1.56 120.40 126.44 1x1f s VAL 85 Ca 0.39 1.79 0.08 0.00 0.00 0.00 0.00 61.98 64.24 1x1f s VAL 85 Cb -0.10 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1x1f s VAL 85 CO 0.27 -0.06 -0.17 -0.76 0.00 0.00 0.00 175.10 174.38 1x1f s LEU 86 N 2.61 2.47 0.00 3.92 1.43 -1.24 0.19 118.68 128.07 1x1f s LEU 86 Ca 0.41 -0.91 0.22 0.00 -1.03 0.00 0.00 54.13 52.82 1x1f s LEU 86 Cb -0.16 -0.79 1.31 0.00 0.03 0.00 0.00 46.19 46.57 1x1f s LEU 86 CO 0.10 -0.07 1.71 -0.81 0.23 0.00 0.00 176.35 177.51 1x1f n PRO 87 N 0.10 0.75 -0.00 1.29 -0.04 -1.26 -3.64 135.00 132.19 1x1f n PRO 87 Ca -0.12 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 1x1f n PRO 87 Cb 0.58 -1.46 -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 -0.96 0.15 -3.55 0.54 5.02 -1.26 -5.10 118.16 113.01 1x1f n LYS 88 Ca 0.16 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.34 1x1f n LYS 88 Cb 0.08 -0.77 -0.06 0.00 -0.02 0.00 0.00 35.03 34.26 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 -2.23 1.01 0.20 1.97 2.12 -1.24 -5.16 118.70 115.38 1x1f s GLU 89 Ca -0.09 0.21 -0.16 0.00 0.36 0.00 0.00 54.97 55.29 1x1f s GLU 89 Cb 0.02 0.48 -0.08 0.00 0.26 0.00 0.00 34.13 34.81 1x1f s GLU 89 CO 0.13 -0.31 0.64 -1.21 -0.54 0.00 0.00 175.26 173.97 1x1f s GLU 90 N -1.20 4.08 0.06 4.30 8.01 -1.26 -3.59 118.70 129.10 1x1f s GLU 90 Ca -0.11 0.65 0.07 0.00 0.01 0.00 0.00 54.97 55.59 1x1f s GLU 90 Cb -0.01 -2.83 -0.03 0.00 -4.31 0.00 0.00 34.13 26.96 1x1f s GLU 90 CO 0.09 0.39 -0.19 0.08 0.01 0.00 0.00 175.26 175.65 1x1f s VAL 91 N -1.58 1.52 -0.15 2.63 1.01 -0.60 -4.71 120.40 118.52 1x1f s VAL 91 Ca 0.43 -1.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1x1f s VAL 91 Cb -0.15 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1x1f s VAL 91 CO 0.20 0.07 0.26 -1.10 0.00 0.00 0.00 175.10 174.53 1x1f s GLN 92 N -1.37 4.14 -0.13 2.72 -0.21 -1.25 0.29 119.66 123.85 1x1f s GLN 92 Ca 0.05 0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.48 1x1f s GLN 92 Cb -0.09 -3.38 0.02 0.00 1.00 0.00 0.00 33.01 30.56 1x1f s GLN 92 CO 0.02 0.34 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.89 1x1f s LEU 93 N 0.18 1.60 0.09 2.90 1.02 -0.74 -2.49 118.68 121.24 1x1f s LEU 93 Ca 0.15 -0.43 0.08 0.00 0.02 0.00 0.00 54.13 53.95 1x1f s LEU 93 Cb -0.13 -1.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.96 1x1f s LEU 93 CO 0.03 -0.05 -0.20 -0.75 0.02 0.00 0.00 176.35 175.41 1x1f s LYS 94 N 1.38 1.09 0.25 1.70 2.36 -0.95 -2.89 119.74 122.67 1x1f s LYS 94 Ca 0.01 -1.12 0.10 0.00 -2.55 0.00 0.00 55.97 52.42 1x1f s LYS 94 Cb -0.13 -1.30 -0.05 0.00 -1.05 0.00 0.00 37.83 35.29 1x1f s LYS 94 CO -0.08 0.30 -0.18 0.95 1.55 0.00 0.00 175.35 177.90 1x1f s THR 95 N -1.16 2.16 0.04 3.43 -4.23 -1.25 -2.50 115.64 112.14 1x1f s THR 95 Ca 0.05 -2.31 -0.33 0.00 -1.18 0.00 0.00 61.69 57.92 1x1f s THR 95 Cb -0.10 -2.18 -0.18 0.00 1.34 0.00 0.00 72.50 71.38 1x1f s THR 95 CO 0.04 -0.47 1.41 -0.33 -0.54 0.00 0.00 174.62 174.73 1x1f h GLU 96 N 2.43 -1.14 0.00 3.99 4.39 -1.94 -3.45 114.58 118.86 1x1f h GLU 96 Ca -0.39 0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 1x1f h GLU 96 Cb 1.24 0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1x1f h GLU 96 CO 0.60 -0.76 -0.01 0.09 -1.16 0.00 0.00 179.01 177.78 1x1f n ASN 97 N -5.37 0.68 -0.02 1.42 4.13 -1.26 -4.92 115.26 109.92 1x1f n ASN 97 Ca -0.15 -1.06 -0.22 0.00 1.68 0.00 0.00 54.58 54.83 1x1f n ASN 97 Cb 0.46 -0.01 -0.13 0.00 -1.54 0.00 0.00 39.78 38.56 1x1f n ASN 97 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x1f h THR 98 N 0.31 0.70 0.02 3.41 1.03 -1.89 -3.32 112.91 113.17 1x1f h THR 98 Ca -0.01 -2.31 0.00 0.00 -0.01 0.00 0.00 66.41 64.08 1x1f h THR 98 Cb 0.05 2.45 -0.01 0.00 -1.07 0.00 0.00 68.15 69.57 1x1f h THR 98 CO 0.02 0.77 -0.11 -0.08 -0.01 0.00 0.00 175.52 176.10 1x1f h GLU 99 N -0.17 -0.15 -0.87 0.00 4.81 -1.97 0.75 114.58 116.97 1x1f h GLU 99 Ca -0.40 0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.09 1x1f h GLU 99 Cb 1.87 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.25 1x1f h GLU 99 CO 0.02 -0.10 0.79 0.66 -0.73 0.00 0.00 179.01 179.66 1x1f h SER 100 N -0.15 0.00 0.33 1.04 4.64 -2.00 0.48 113.55 117.89 1x1f h SER 100 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x1f h SER 100 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1x1f h SER 100 CO -0.06 0.00 -0.36 1.23 -0.87 0.00 0.00 176.83 176.77 1x1f h GLY 101 N 0.00 -0.83 1.45 -0.77 0.00 -0.95 -2.16 103.07 99.80 1x1f h GLY 101 Ca 0.41 0.42 -0.04 0.00 0.00 0.00 0.00 47.33 48.12 1x1f h GLY 101 CO -0.00 -0.30 0.15 0.83 0.00 0.00 0.00 176.54 177.22 1x1f h GLU 102 N -0.73 0.71 -0.21 4.80 3.07 -0.57 -2.18 114.58 119.46 1x1f h GLU 102 Ca -0.02 -0.12 0.03 0.00 -0.50 0.00 0.00 59.36 58.76 1x1f h GLU 102 Cb 0.67 -0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.39 1x1f h GLU 102 CO -0.08 0.62 -0.54 1.49 -1.40 0.00 0.00 179.01 179.10 1x1f h GLU 103 N 0.69 -0.50 0.56 2.33 4.81 -0.95 1.46 114.58 122.98 1x1f h GLU 103 Ca 0.16 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1x1f h GLU 103 Cb 0.21 0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.71 1x1f h GLU 103 CO -0.01 -0.33 -0.27 -1.49 -0.73 0.00 0.00 179.01 176.18 1x1f h TRP 104 N -0.52 -0.70 -0.87 0.92 4.06 -1.30 0.20 115.95 117.74 1x1f h TRP 104 Ca 0.04 -0.02 0.14 0.00 2.06 0.00 0.00 58.89 61.11 1x1f h TRP 104 Cb 0.64 0.23 -0.14 0.00 -1.00 0.00 0.00 29.16 28.89 1x1f h TRP 104 CO -0.63 -0.43 -0.34 -2.13 -3.56 0.00 0.00 178.44 171.35 1x1f n ARG 105 N -4.06 -0.20 0.31 0.49 0.63 -0.83 0.19 116.66 113.19 1x1f n ARG 105 Ca -0.09 1.34 -0.17 0.00 -0.92 0.00 0.00 57.85 58.01 1x1f n ARG 105 Cb 0.30 -1.99 -0.08 0.00 0.45 0.00 0.00 32.46 31.13 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 -0.89 0.51 5.14 0.00 0.22 0.47 103.07 108.52 1x1f h GLY 106 Ca 0.31 0.37 0.11 0.00 0.00 0.00 0.00 47.33 48.11 1x1f h GLY 106 CO -0.87 -0.32 0.57 0.74 0.00 0.00 0.00 176.54 176.66 1x1f h PHE 107 N -0.83 1.04 0.60 5.60 0.04 0.27 -1.50 116.94 122.16 1x1f h PHE 107 Ca -0.07 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1x1f h PHE 107 Cb 0.68 -0.33 0.01 0.00 2.20 0.00 0.00 35.95 38.51 1x1f h PHE 107 CO -0.09 0.43 -0.29 0.82 -0.60 0.00 0.00 178.31 178.58 1x1f h ILE 108 N 0.94 0.26 -1.13 -0.55 5.03 0.23 -1.11 117.51 121.17 1x1f h ILE 108 Ca 0.46 -0.32 0.33 0.00 -0.12 0.00 0.00 64.86 65.20 1x1f h ILE 108 Cb 0.42 0.34 -0.05 0.00 -3.03 0.00 0.00 36.82 34.50 1x1f h ILE 108 CO -0.25 0.03 0.99 -0.07 -0.68 0.00 0.00 178.15 178.17 1x1f h LEU 109 N -1.06 0.00 0.16 1.44 3.38 0.38 1.48 115.31 121.08 1x1f h LEU 109 Ca -0.08 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.63 1x1f h LEU 109 Cb 0.67 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.45 1x1f h LEU 109 CO 0.14 0.00 -1.10 0.74 0.09 0.00 0.00 178.44 178.31 1x1f h THR 110 N 0.00 1.38 -0.53 0.22 2.02 -0.76 0.26 112.91 115.49 1x1f h THR 110 Ca 0.54 -2.51 -0.28 0.00 0.77 0.00 0.00 66.41 64.93 1x1f h THR 110 Cb 2.52 2.96 -0.16 0.00 -1.74 0.00 0.00 68.15 71.73 1x1f h THR 110 CO -0.01 0.74 0.35 1.33 0.37 0.00 0.00 175.52 178.31 1x1f n VAL 111 N -3.93 2.20 0.00 3.16 0.24 0.49 -2.20 118.33 118.28 1x1f n VAL 111 Ca -0.14 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.11 1x1f n VAL 111 Cb 0.93 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 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 -0.36 0.00 0.46 3.34 -2.24 0.02 -4.67 114.28 110.83 1x1f n THR 112 Ca 0.32 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.22 1x1f n THR 112 Cb 1.11 -0.19 0.13 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.81 -0.78 5.08 -0.61 -3.47 114.58 113.99 1x1f h GLU 113 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1x1f h GLU 113 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1x1f h GLU 113 CO 0.00 0.00 -0.21 1.28 -1.00 0.00 0.00 179.01 179.08 1x1f n LEU 114 N -2.26 -0.99 0.00 1.33 7.99 -0.94 -4.96 117.00 117.17 1x1f n LEU 114 Ca 0.03 0.16 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 1x1f n LEU 114 Cb 0.47 -1.65 0.00 0.00 -0.11 0.00 0.00 43.42 42.12 1x1f n LEU 114 CO 0.37 -0.38 0.00 -0.24 -1.51 0.00 0.00 177.39 175.63 1x1f n SER 115 N 0.27 0.00 -3.92 -1.43 2.88 -1.24 -5.05 113.62 105.13 1x1f n SER 115 Ca -0.11 -0.50 -0.24 0.00 -1.33 0.00 0.00 58.87 56.69 1x1f n SER 115 Cb 0.42 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.71 1x1f n SER 115 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x1f s VAL 116 N -1.62 0.87 -0.24 2.46 1.01 -1.26 -4.02 120.40 117.61 1x1f s VAL 116 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1x1f s VAL 116 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1x1f s VAL 116 CO 0.00 0.32 1.32 -2.16 0.00 0.00 0.00 175.10 174.58 1x1f s PRO 117 N 1.27 4.03 0.14 2.72 0.04 -1.26 -4.87 135.00 137.07 1x1f s PRO 117 Ca -0.04 1.45 0.23 0.00 0.04 0.00 0.00 61.00 62.68 1x1f s PRO 117 Cb -0.14 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 1x1f s PRO 117 CO -0.03 -0.97 0.96 1.04 0.04 0.00 0.00 177.00 178.04 1x1f n GLN 118 N 7.06 0.56 -0.36 4.56 1.13 -1.26 -3.73 117.38 125.34 1x1f n GLN 118 Ca 0.15 0.05 0.04 0.00 -1.94 0.00 0.00 57.00 55.30 1x1f n GLN 118 Cb 0.46 -1.74 0.19 0.00 0.11 0.00 0.00 30.24 29.26 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x1f n ASN 119 N -2.48 2.87 -2.51 1.08 4.13 -1.26 -4.89 115.26 112.19 1x1f n ASN 119 Ca -0.00 -2.30 -0.03 0.00 1.68 0.00 0.00 54.58 53.93 1x1f n ASN 119 Cb 0.53 -0.47 0.02 0.00 -1.54 0.00 0.00 39.78 38.32 1x1f n ASN 119 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1x1f n VAL 120 N 0.40 0.00 -0.01 2.41 3.14 -1.24 -5.02 118.33 118.00 1x1f n VAL 120 Ca 0.13 -0.05 -0.01 0.00 -2.96 0.00 0.00 64.34 61.45 1x1f n VAL 120 Cb 0.58 -1.20 -0.02 0.00 -1.06 0.00 0.00 33.84 32.14 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 -3.15 4.26 -4.02 6.55 2.88 -1.26 -5.05 113.62 113.82 1x1f n SER 121 Ca 0.01 -0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.19 1x1f n SER 121 Cb 0.05 0.53 0.04 0.00 -0.75 0.00 0.00 64.21 64.08 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 -2.14 -5.74 -4.57 2.46 7.94 -1.26 -4.89 117.00 108.79 1x1f n LEU 122 Ca -0.05 0.19 -0.28 0.00 -1.11 0.00 0.00 56.01 54.76 1x1f n LEU 122 Cb 0.59 -0.78 0.22 0.00 0.53 0.00 0.00 43.42 43.98 1x1f n LEU 122 CO 0.06 -5.93 0.57 -0.76 -1.11 0.00 0.00 177.39 170.22 1x1f s LEU 123 N 7.51 1.15 0.00 -1.96 2.01 -1.26 -4.80 118.68 121.33 1x1f s LEU 123 Ca 0.41 1.35 0.22 0.00 0.01 0.00 0.00 54.13 56.12 1x1f s LEU 123 Cb -0.18 -3.37 1.05 0.00 0.01 0.00 0.00 46.19 43.70 1x1f s LEU 123 CO 0.82 -3.74 1.72 -0.81 1.01 0.00 0.00 176.35 175.35 1x1f n PRO 124 N -4.60 0.18 -0.08 1.29 -0.04 -1.26 -2.18 135.00 128.32 1x1f n PRO 124 Ca 0.04 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 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 0.69 -0.70 0.21 0.55 0.00 -1.26 -4.23 105.19 100.44 1x1f n GLY 125 Ca 0.08 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 0.70 -0.93 1.61 1.08 -1.88 -3.03 115.11 112.67 1x1f h GLN 126 Ca -0.50 -0.53 0.23 0.00 -1.45 0.00 0.00 58.65 56.39 1x1f h GLN 126 Cb 2.06 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 29.52 1x1f h GLN 126 CO 0.00 1.15 0.62 0.28 -0.95 0.00 0.00 178.83 179.94 1x1f h VAL 127 N 0.40 0.62 -0.64 -0.54 2.07 -1.64 0.22 116.25 116.75 1x1f h VAL 127 Ca -0.03 -0.11 0.13 0.00 0.82 0.00 0.00 66.70 67.51 1x1f h VAL 127 Cb 1.23 0.27 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 1x1f h VAL 127 CO 0.13 0.06 0.08 0.40 0.02 0.00 0.00 177.57 178.26 1x1f h ILE 128 N 0.32 0.54 -0.60 4.57 2.04 -1.70 -0.37 117.51 122.31 1x1f h ILE 128 Ca 0.49 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 66.38 1x1f h ILE 128 Cb 1.35 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 37.65 1x1f h ILE 128 CO -0.16 0.04 -0.39 0.11 0.00 0.00 0.00 178.15 177.74 1x1f h LYS 129 N 0.20 -0.18 -0.84 2.37 1.79 -0.68 0.65 116.57 119.87 1x1f h LYS 129 Ca 0.34 0.01 0.21 0.00 -2.18 0.00 0.00 60.65 59.04 1x1f h LYS 129 Cb 0.55 0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 31.11 1x1f h LYS 129 CO -0.48 -0.12 0.23 -0.07 -1.08 0.00 0.00 179.45 177.92 1x1f h LEU 130 N -0.19 0.03 -0.63 2.94 3.38 -1.14 1.88 115.31 121.57 1x1f h LEU 130 Ca 0.21 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.37 1x1f h LEU 130 Cb 0.56 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1x1f h LEU 130 CO -0.70 -0.11 0.41 0.45 0.09 0.00 0.00 178.44 178.58 1x1f h HIS 131 N 0.24 0.77 0.17 1.13 3.86 0.52 0.41 115.15 122.26 1x1f h HIS 131 Ca 0.51 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.73 1x1f h HIS 131 Cb 0.99 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1x1f h HIS 131 CO -0.26 0.47 -0.08 0.93 0.86 0.00 0.00 177.93 179.85 1x1f h GLU 132 N 0.83 -0.22 -0.99 2.45 5.08 0.24 -2.42 114.58 119.55 1x1f h GLU 132 Ca 0.24 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.81 1x1f h GLU 132 Cb -0.05 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 1x1f h GLU 132 CO -0.07 0.20 0.61 0.28 -1.00 0.00 0.00 179.01 179.04 1x1f h VAL 133 N -0.79 0.71 0.00 3.13 2.07 0.27 -0.15 116.25 121.49 1x1f h VAL 133 Ca -0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1x1f h VAL 133 Cb 0.52 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1x1f h VAL 133 CO 0.04 0.13 0.00 -0.11 0.02 0.00 0.00 177.57 177.64 1x1f n LEU 134 N -4.70 0.01 -0.63 2.57 7.94 0.14 -1.60 117.00 120.73 1x1f n LEU 134 Ca 0.22 0.89 0.49 0.00 -1.11 0.00 0.00 56.01 56.51 1x1f n LEU 134 Cb 0.60 -0.40 0.79 0.00 0.53 0.00 0.00 43.42 44.94 1x1f n LEU 134 CO 0.24 -0.40 1.44 -0.33 -1.11 0.00 0.00 177.39 177.23 1x1f h GLU 135 N 0.00 0.01 0.19 1.96 5.08 -1.05 1.13 114.58 121.90 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 -0.09 0.00 -1.00 0.00 0.00 179.01 177.92 1x1f h ARG 136 N 0.01 -0.25 0.00 2.33 2.47 -0.61 -2.80 114.38 115.53 1x1f h ARG 136 Ca 0.89 0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 59.53 1x1f h ARG 136 Cb 3.47 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 31.84 1x1f h ARG 136 CO -0.08 0.00 -0.46 1.05 0.56 0.00 0.00 179.97 181.04 1x1f h GLU 137 N -0.48 0.00 -0.62 0.04 4.11 0.21 -3.04 114.58 114.79 1x1f h GLU 137 Ca -0.03 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.50 1x1f h GLU 137 Cb 0.37 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 1x1f h GLU 137 CO 0.04 0.46 0.22 0.87 0.07 0.00 0.00 179.01 180.68 1x1f h LYS 138 N 0.00 0.39 -0.83 1.06 1.57 -0.08 0.31 116.57 118.99 1x1f h LYS 138 Ca -0.00 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1x1f h LYS 138 Cb 0.93 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.09 1x1f h LYS 138 CO 0.06 0.25 0.54 0.87 -0.57 0.00 0.00 179.45 180.61 1x1f h LYS 139 N 0.40 0.75 0.00 3.15 6.56 -1.37 0.35 116.57 126.41 1x1f h LYS 139 Ca 0.32 -0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.79 1x1f h LYS 139 Cb 0.41 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.89 1x1f h LYS 139 CO -0.33 0.50 -0.33 0.00 -2.06 0.00 0.00 179.45 177.23 1x1f h ARG 140 N 0.78 0.00 0.00 3.15 3.08 -0.59 -2.78 114.38 118.01 1x1f h ARG 140 Ca 0.39 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.37 1x1f h ARG 140 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1x1f h ARG 140 CO -0.16 0.33 -0.30 0.00 -1.07 0.00 0.00 179.97 178.77 1x1f h ARG 141 N 0.00 0.00 0.00 0.04 2.47 0.21 -3.14 114.38 113.96 1x1f h ARG 141 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1x1f h ARG 141 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1x1f h ARG 141 CO 0.04 0.30 0.00 -0.89 0.56 0.00 0.00 179.97 179.99 1x1f n ILE 142 N -3.65 0.00 -0.14 2.04 2.08 -0.89 -3.35 119.36 115.45 1x1f n ILE 142 Ca -0.01 0.80 -0.08 0.00 0.56 0.00 0.00 62.75 64.02 1x1f n ILE 142 Cb 0.42 -1.52 -0.06 0.00 -0.75 0.00 0.00 39.64 37.74 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1x1f h GLU 143 N 0.00 -0.16 -0.62 0.38 5.08 -1.75 -3.48 114.58 114.03 1x1f h GLU 143 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1x1f h GLU 143 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1x1f h GLU 143 CO 0.00 -0.11 -0.16 0.45 -1.00 0.00 0.00 179.01 178.19 1x1f n SER 144 N -4.37 -1.48 -0.07 1.42 2.88 -1.19 -5.12 113.62 105.69 1x1f n SER 144 Ca -0.01 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1x1f n SER 144 Cb 0.19 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1x1f n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1f n GLY 145 N -1.63 3.70 3.80 0.46 0.00 -1.26 -5.11 105.19 105.15 1x1f n GLY 145 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 0.79 1.95 0.00 1.61 0.04 -1.26 -5.08 135.00 133.04 1x1f s PRO 146 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1x1f s PRO 146 Cb 0.00 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 1x1f s PRO 146 CO 0.00 -1.70 -0.01 -1.54 0.04 0.00 0.00 177.00 173.78 1x1f s SER 147 N -3.93 0.11 0.00 6.66 1.04 -1.26 -4.92 113.70 111.41 1x1f s SER 147 Ca 0.61 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1x1f s SER 147 Cb -0.14 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1x1f s SER 147 CO 0.54 -0.04 0.00 -0.24 0.98 0.00 0.00 173.24 174.48 1x1f n SER 148 N 2.82 0.00 0.00 7.02 2.88 -1.26 -5.12 113.62 119.96 1x1f n SER 148 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1x1f n SER 148 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42