#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8k s SER 2 N 0.00 5.05 0.19 1.61 0.15 -1.26 -4.90 113.70 114.53 1p8k s SER 2 Ca 0.00 -0.90 -0.11 0.00 0.70 0.00 0.00 55.95 55.64 1p8k s SER 2 Cb 0.00 0.28 0.10 0.00 -1.71 0.00 0.00 66.02 64.69 1p8k s SER 2 CO 0.00 -1.28 1.78 0.44 1.20 0.00 0.00 173.24 175.38 1p8k h ASP 3 N 0.29 0.84 0.61 5.45 5.19 -2.03 -3.12 116.42 123.66 1p8k h ASP 3 Ca -0.31 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1p8k h ASP 3 Cb 1.29 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1p8k h ASP 3 CO 0.44 0.73 -0.29 0.18 -3.12 0.00 0.00 179.24 177.18 1p8k n LEU 4 N -4.49 0.38 0.05 1.55 4.32 -1.26 -3.78 117.00 113.76 1p8k n LEU 4 Ca 0.05 0.13 0.13 0.00 -0.02 0.00 0.00 56.01 56.30 1p8k n LEU 4 Cb 0.12 -0.31 0.51 0.00 -1.62 0.00 0.00 43.42 42.12 1p8k n LEU 4 CO 0.38 0.09 0.91 0.35 -1.22 0.00 0.00 177.39 177.90 1p8k n THR 5 N -1.37 0.33 0.05 -5.08 -2.24 -1.18 -2.60 114.28 102.18 1p8k n THR 5 Ca 0.08 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1p8k n THR 5 Cb 0.33 -0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 67.88 1p8k n THR 5 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1p8k h TYR 6 N 0.00 0.95 -0.18 4.78 -1.99 -1.67 -2.34 116.97 116.52 1p8k h TYR 6 Ca 0.00 -0.52 0.03 0.00 2.00 0.00 0.00 58.73 60.24 1p8k h TYR 6 Cb 0.58 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 1p8k h TYR 6 CO 0.00 1.35 0.12 0.00 -0.00 0.00 0.00 178.16 179.64 1p8k h ALA 7 N 0.48 2.01 -0.55 3.88 0.00 -1.67 0.37 119.26 123.77 1p8k h ALA 7 Ca -0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1p8k h ALA 7 Cb 1.68 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1p8k h ALA 7 CO 0.20 -0.04 0.01 -0.92 0.00 0.00 0.00 179.25 178.50 1p8k h TYR 8 N 0.13 1.00 -0.32 0.00 3.20 -1.26 -2.62 116.97 117.10 1p8k h TYR 8 Ca 0.08 -0.15 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 1p8k h TYR 8 Cb 0.15 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1p8k h TYR 8 CO -0.00 0.89 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.27 1p8k h LEU 9 N 0.86 0.61 -1.38 2.82 3.38 0.22 -1.27 115.31 120.55 1p8k h LEU 9 Ca 0.16 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1p8k h LEU 9 Cb 0.50 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1p8k h LEU 9 CO 0.02 0.83 -0.21 -0.37 0.09 0.00 0.00 178.44 178.80 1p8k h VAL 10 N 0.39 1.20 0.34 1.22 -1.51 -1.32 0.90 116.25 117.46 1p8k h VAL 10 Ca 0.08 -0.91 -0.00 0.00 -1.23 0.00 0.00 66.70 64.64 1p8k h VAL 10 Cb 0.56 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 31.06 1p8k h VAL 10 CO 0.03 0.27 -0.33 1.23 -1.23 0.00 0.00 177.57 177.54 1p8k h GLY 11 N 0.81 -0.77 0.79 5.19 0.00 -1.03 0.41 103.07 108.49 1p8k h GLY 11 Ca 0.03 0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.76 1p8k h GLY 11 CO 0.03 -0.28 0.09 -2.00 0.00 0.00 0.00 176.54 174.37 1p8k h LEU 12 N -0.69 0.10 -1.10 3.11 5.85 -0.45 -2.42 115.31 119.70 1p8k h LEU 12 Ca -0.02 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1p8k h LEU 12 Cb 0.63 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1p8k h LEU 12 CO -0.06 0.09 0.31 -0.26 -0.34 0.00 0.00 178.44 178.18 1p8k h PHE 13 N 0.20 0.94 -0.80 1.25 -1.00 -0.65 0.31 116.94 117.19 1p8k h PHE 13 Ca 0.11 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 1p8k h PHE 13 Cb 0.08 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.31 1p8k h PHE 13 CO -0.13 0.69 0.36 1.49 -1.61 0.00 0.00 178.31 179.11 1p8k h GLU 14 N 0.94 1.16 0.00 1.51 4.81 0.28 0.81 114.58 124.09 1p8k h GLU 14 Ca 0.23 -0.18 -0.23 0.00 -0.13 0.00 0.00 59.36 59.04 1p8k h GLU 14 Cb 0.11 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1p8k h GLU 14 CO -0.03 0.91 -1.21 0.78 -0.73 0.00 0.00 179.01 178.73 1p8k h GLY 15 N 1.14 0.00 0.00 1.92 0.00 -0.95 -3.41 103.07 101.77 1p8k h GLY 15 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1p8k h GLY 15 CO -0.03 0.00 -0.25 1.22 0.00 0.00 0.00 176.54 177.48 1p8k n ASP 16 N -3.25 1.24 -1.96 0.19 10.43 0.10 -4.81 116.55 118.49 1p8k n ASP 16 Ca -0.05 -0.22 0.00 0.00 2.57 0.00 0.00 54.79 57.09 1p8k n ASP 16 Cb 0.97 0.69 0.00 0.00 1.84 0.00 0.00 41.12 44.62 1p8k n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1p8k n GLY 17 N 1.06 0.11 3.63 0.44 0.00 0.28 -4.33 105.19 106.37 1p8k n GLY 17 Ca 0.00 -1.80 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 1p8k n GLY 17 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p8k s TYR 18 N 0.35 -0.30 -0.11 1.61 -0.85 -0.23 -4.86 117.35 112.96 1p8k s TYR 18 Ca 0.00 0.65 -0.04 0.00 -0.52 0.00 0.00 57.07 57.16 1p8k s TYR 18 Cb 0.00 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 1p8k s TYR 18 CO 0.00 -0.19 0.06 -0.06 -1.52 0.00 0.00 175.55 173.84 1p8k s PHE 19 N -0.31 3.34 -0.19 -3.49 0.40 -1.26 -1.62 117.98 114.85 1p8k s PHE 19 Ca 0.04 0.30 -0.15 0.00 -0.60 0.00 0.00 56.93 56.51 1p8k s PHE 19 Cb -0.03 -1.88 0.05 0.00 0.51 0.00 0.00 43.02 41.67 1p8k s PHE 19 CO -0.07 0.53 0.50 0.45 0.70 0.00 0.00 175.22 177.33 1p8k s SER 20 N -0.77 -0.57 -0.31 1.36 0.15 -0.76 -5.01 113.70 107.80 1p8k s SER 20 Ca 0.12 1.03 0.03 0.00 0.70 0.00 0.00 55.95 57.84 1p8k s SER 20 Cb -0.12 1.00 0.08 0.00 -1.71 0.00 0.00 66.02 65.28 1p8k s SER 20 CO 0.03 -0.19 -0.01 -0.63 1.20 0.00 0.00 173.24 173.64 1p8k s ILE 21 N 0.69 2.15 0.26 6.45 1.01 -1.26 -1.45 121.20 129.05 1p8k s ILE 21 Ca -0.03 -2.02 0.08 0.00 0.00 0.00 0.00 60.65 58.68 1p8k s ILE 21 Cb -0.05 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1p8k s ILE 21 CO -0.05 -0.39 0.11 0.42 0.00 0.00 0.00 174.94 175.04 1p8k s THR 22 N 1.02 4.02 0.05 2.92 -4.23 -0.04 -4.88 115.64 114.49 1p8k s THR 22 Ca 0.04 -1.62 -0.31 0.00 -1.18 0.00 0.00 61.69 58.62 1p8k s THR 22 Cb -0.19 -3.17 -0.06 0.00 1.34 0.00 0.00 72.50 70.41 1p8k s THR 22 CO -0.08 -0.36 1.40 -0.75 -0.54 0.00 0.00 174.62 174.29 1p8k s LYS 23 N -3.77 4.30 -0.53 3.99 2.20 -1.26 -0.88 119.74 123.79 1p8k s LYS 23 Ca 0.32 2.01 0.07 0.00 -0.36 0.00 0.00 55.97 58.01 1p8k s LYS 23 Cb -0.07 -3.45 0.25 0.00 -1.51 0.00 0.00 37.83 33.05 1p8k s LYS 23 CO 0.23 -0.51 0.66 1.17 -0.36 0.00 0.00 175.35 176.53 1p8k n LYS 24 N 4.80 1.78 0.00 4.03 4.81 0.26 -4.83 118.16 129.01 1p8k n LYS 24 Ca 0.12 -4.07 0.00 0.00 -0.87 0.00 0.00 58.31 53.50 1p8k n LYS 24 Cb 0.43 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1p8k n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p8k n GLY 25 N 1.05 3.34 0.20 3.14 0.00 -1.26 -1.91 105.19 109.75 1p8k n GLY 25 Ca 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1p8k n GLY 25 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1p8k h LYS 26 N 0.00 0.22 0.00 1.61 3.64 -1.98 -3.47 116.57 116.59 1p8k h LYS 26 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1p8k h LYS 26 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1p8k h LYS 26 CO 0.00 0.55 0.00 0.66 -2.27 0.00 0.00 179.45 178.39 1p8k n TYR 27 N -4.08 -0.39 -4.44 1.91 4.02 -0.80 -4.26 117.16 109.12 1p8k n TYR 27 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.63 1p8k n TYR 27 Cb 0.43 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.65 1p8k n TYR 27 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1p8k s LEU 28 N 0.00 2.60 -0.17 7.72 1.43 -1.23 0.91 118.68 129.94 1p8k s LEU 28 Ca 0.00 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 1p8k s LEU 28 Cb 0.00 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 45.04 1p8k s LEU 28 CO 0.00 0.06 -0.19 -0.89 0.23 0.00 0.00 176.35 175.57 1p8k s THR 29 N -2.21 2.22 -0.16 5.49 2.01 -0.05 -4.78 115.64 118.16 1p8k s THR 29 Ca 0.27 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.31 1p8k s THR 29 Cb -0.06 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1p8k s THR 29 CO 0.14 0.53 0.06 -0.31 -0.69 0.00 0.00 174.62 174.35 1p8k s TYR 30 N 1.14 3.27 0.24 4.92 1.51 -1.26 -0.87 117.35 126.30 1p8k s TYR 30 Ca 0.01 0.13 -0.20 0.00 -1.01 0.00 0.00 57.07 56.01 1p8k s TYR 30 Cb -0.14 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1p8k s TYR 30 CO -0.08 0.26 0.63 -1.83 -1.11 0.00 0.00 175.55 173.42 1p8k s GLU 31 N 0.03 1.58 -0.04 -0.62 -1.05 -0.53 -4.16 118.70 113.91 1p8k s GLU 31 Ca 0.06 -0.90 0.01 0.00 -0.15 0.00 0.00 54.97 53.99 1p8k s GLU 31 Cb -0.12 0.57 0.02 0.00 -0.44 0.00 0.00 34.13 34.16 1p8k s GLU 31 CO 0.01 -0.70 -0.05 -1.17 0.95 0.00 0.00 175.26 174.30 1p8k s LEU 32 N -2.89 1.40 0.12 1.83 2.96 -0.69 -1.83 118.68 119.59 1p8k s LEU 32 Ca 0.10 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.75 1p8k s LEU 32 Cb -0.03 -0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.21 1p8k s LEU 32 CO 0.01 -0.04 0.32 -0.83 -1.32 0.00 0.00 176.35 174.49 1p8k s GLY 33 N 0.81 -0.01 -0.03 7.98 0.00 -0.64 -1.56 107.32 113.87 1p8k s GLY 33 Ca -0.11 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.22 1p8k s GLY 33 CO 0.01 -0.57 -0.02 -0.42 0.00 0.00 0.00 173.10 172.10 1p8k s ILE 34 N -3.85 0.31 -0.12 0.90 1.01 -1.03 -1.07 121.20 117.34 1p8k s ILE 34 Ca 0.06 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.70 1p8k s ILE 34 Cb 0.03 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 42.15 1p8k s ILE 34 CO -0.09 0.15 -0.20 -0.70 0.00 0.00 0.00 174.94 174.10 1p8k s GLU 35 N 0.72 2.77 0.31 2.79 2.12 -1.26 -2.09 118.70 124.05 1p8k s GLU 35 Ca -0.08 -0.77 0.04 0.00 0.36 0.00 0.00 54.97 54.52 1p8k s GLU 35 Cb -0.11 -2.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.99 1p8k s GLU 35 CO -0.01 0.02 0.05 -0.51 -0.54 0.00 0.00 175.26 174.27 1p8k s LEU 36 N 0.75 2.12 0.72 2.70 1.43 0.13 -4.95 118.68 121.58 1p8k s LEU 36 Ca -0.10 -1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 51.49 1p8k s LEU 36 Cb -0.16 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.76 1p8k s LEU 36 CO 0.01 -0.60 1.21 -0.55 0.23 0.00 0.00 176.35 176.64 1p8k s SER 37 N -3.45 4.27 0.47 2.29 0.15 -1.26 -0.57 113.70 115.61 1p8k s SER 37 Ca 0.36 2.36 0.26 0.00 0.70 0.00 0.00 55.95 59.63 1p8k s SER 37 Cb 0.08 -2.59 1.42 0.00 -1.71 0.00 0.00 66.02 63.22 1p8k s SER 37 CO 0.15 -2.21 1.77 -0.29 1.20 0.00 0.00 173.24 173.86 1p8k h ILE 38 N -0.20 0.00 0.00 6.45 6.09 -1.73 -0.56 117.51 127.56 1p8k h ILE 38 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1p8k h ILE 38 Cb 1.30 0.58 0.00 0.00 0.47 0.00 0.00 36.82 39.17 1p8k h ILE 38 CO 0.50 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.87 1p8k n LYS 39 N -2.52 0.00 -0.65 2.19 5.02 -1.26 -2.03 118.16 118.92 1p8k n LYS 39 Ca -0.02 0.43 0.06 0.00 -2.02 0.00 0.00 58.31 56.76 1p8k n LYS 39 Cb 0.20 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.89 1p8k n LYS 39 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1p8k n ASP 40 N -1.48 1.67 0.01 4.39 8.00 -0.22 -4.65 116.55 124.27 1p8k n ASP 40 Ca 0.01 -3.64 -0.10 0.00 0.71 0.00 0.00 54.79 51.77 1p8k n ASP 40 Cb 0.04 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1p8k n ASP 40 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1p8k h VAL 41 N 1.58 0.59 -0.63 2.53 2.07 -1.58 0.13 116.25 120.93 1p8k h VAL 41 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 1p8k h VAL 41 Cb 1.09 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 1p8k h VAL 41 CO 0.01 0.00 0.12 1.56 0.02 0.00 0.00 177.57 179.28 1p8k h GLN 42 N -0.22 0.24 -0.79 1.57 1.08 -1.84 -0.56 115.11 114.59 1p8k h GLN 42 Ca 0.08 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1p8k h GLN 42 Cb 0.34 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 1p8k h GLN 42 CO -0.22 0.16 0.30 1.25 -0.95 0.00 0.00 178.83 179.37 1p8k h LEU 43 N 0.25 1.10 -0.92 1.46 5.85 -1.43 -2.64 115.31 118.98 1p8k h LEU 43 Ca 0.34 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1p8k h LEU 43 Cb 0.53 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 1p8k h LEU 43 CO -0.44 0.98 0.56 0.40 -0.34 0.00 0.00 178.44 179.60 1p8k h ILE 44 N 1.16 0.93 0.00 4.05 1.08 0.77 0.11 117.51 125.60 1p8k h ILE 44 Ca 0.26 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1p8k h ILE 44 Cb 0.24 -0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 33.92 1p8k h ILE 44 CO -0.02 0.17 -0.01 1.88 -0.69 0.00 0.00 178.15 179.48 1p8k h TYR 45 N 0.91 0.00 0.00 1.37 -1.99 -1.05 -2.18 116.97 114.03 1p8k h TYR 45 Ca 0.44 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 61.02 1p8k h TYR 45 Cb 0.40 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 1p8k h TYR 45 CO -0.03 0.01 -0.74 0.87 -0.00 0.00 0.00 178.16 178.26 1p8k h LYS 46 N 0.00 0.00 -0.16 4.88 1.57 -0.70 -2.17 116.57 119.99 1p8k h LYS 46 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1p8k h LYS 46 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.00 1p8k h LYS 46 CO 0.00 0.74 -0.57 0.82 -0.57 0.00 0.00 179.45 179.88 1p8k h ILE 47 N 0.00 1.32 -0.82 1.86 1.08 -0.97 -1.22 117.51 118.76 1p8k h ILE 47 Ca -0.01 -1.81 -0.04 0.00 -0.39 0.00 0.00 64.86 62.61 1p8k h ILE 47 Cb 1.33 1.99 -0.04 0.00 -3.07 0.00 0.00 36.82 37.03 1p8k h ILE 47 CO 0.10 0.56 0.36 0.50 -0.69 0.00 0.00 178.15 178.98 1p8k h LYS 48 N 0.35 1.21 0.42 2.37 3.64 -1.36 0.55 116.57 123.76 1p8k h LYS 48 Ca -0.02 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 1p8k h LYS 48 Cb 1.19 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1p8k h LYS 48 CO 0.12 0.96 -0.20 -0.22 -2.27 0.00 0.00 179.45 177.83 1p8k h LYS 49 N 1.18 -0.55 0.28 1.90 1.63 -1.33 1.23 116.57 120.91 1p8k h LYS 49 Ca 0.28 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1p8k h LYS 49 Cb 0.18 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 1p8k h LYS 49 CO -0.03 -0.35 -0.35 0.82 -3.45 0.00 0.00 179.45 176.10 1p8k h ILE 50 N -0.60 0.28 -0.21 2.00 1.08 -0.83 -2.84 117.51 116.39 1p8k h ILE 50 Ca -0.06 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.29 1p8k h ILE 50 Cb 0.46 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1p8k h ILE 50 CO 0.10 0.00 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.09 1p8k h LEU 51 N -0.68 0.49 0.00 1.44 3.38 -0.91 -3.41 115.31 115.62 1p8k h LEU 51 Ca -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1p8k h LEU 51 Cb 0.64 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1p8k h LEU 51 CO -0.10 0.83 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1p8k n GLY 52 N -0.09 1.25 3.03 0.83 0.00 0.42 -5.00 105.19 105.63 1p8k n GLY 52 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1p8k n GLY 52 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p8k n ILE 53 N -2.00 0.00 0.00 -0.61 -5.35 -1.21 -4.98 119.36 105.21 1p8k n ILE 53 Ca 0.00 -2.26 0.00 0.00 -0.27 0.00 0.00 62.75 60.22 1p8k n ILE 53 Cb 0.00 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 1p8k n ILE 53 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p8k n GLY 54 N -0.61 2.76 3.73 3.28 0.00 -1.26 -4.62 105.19 108.48 1p8k n GLY 54 Ca 0.04 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1p8k n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p8k s ILE 55 N -0.86 5.36 -0.13 -0.61 -1.09 -0.48 -4.82 121.20 118.58 1p8k s ILE 55 Ca 0.00 0.17 -0.06 0.00 -2.23 0.00 0.00 60.65 58.53 1p8k s ILE 55 Cb 0.00 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 1p8k s ILE 55 CO 0.00 0.46 0.11 -0.69 -1.23 0.00 0.00 174.94 173.59 1p8k s VAL 56 N 0.25 5.23 0.04 2.92 1.01 -1.26 0.20 120.40 128.80 1p8k s VAL 56 Ca 0.08 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 1p8k s VAL 56 Cb -0.11 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1p8k s VAL 56 CO -0.01 0.59 -0.04 -0.94 0.00 0.00 0.00 175.10 174.70 1p8k s SER 57 N -0.76 0.46 0.06 3.32 1.04 -0.42 -4.96 113.70 112.44 1p8k s SER 57 Ca 0.13 -0.77 0.07 0.00 0.48 0.00 0.00 55.95 55.86 1p8k s SER 57 Cb -0.12 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1p8k s SER 57 CO 0.03 -0.44 -0.19 -0.36 0.98 0.00 0.00 173.24 173.25 1p8k s PHE 58 N -2.75 1.68 0.12 5.02 0.40 -1.26 -1.35 117.98 119.84 1p8k s PHE 58 Ca -0.03 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 55.72 1p8k s PHE 58 Cb -0.01 -0.97 0.05 0.00 0.51 0.00 0.00 43.02 42.60 1p8k s PHE 58 CO -0.05 0.11 0.48 -0.98 0.70 0.00 0.00 175.22 175.48 1p8k s ARG 59 N -1.41 1.11 -0.19 0.44 1.70 -1.26 -5.03 118.95 114.31 1p8k s ARG 59 Ca 0.06 -0.54 0.17 0.00 -0.47 0.00 0.00 55.73 54.95 1p8k s ARG 59 Cb -0.09 0.50 -0.25 0.00 -0.57 0.00 0.00 34.95 34.54 1p8k s ARG 59 CO 0.02 -0.44 0.11 1.17 -1.08 0.00 0.00 175.30 175.08 1p8k n LYS 60 N -0.11 0.68 -3.19 3.89 4.81 -1.26 -4.31 118.16 118.67 1p8k n LYS 60 Ca -0.17 0.02 -0.27 0.00 -0.87 0.00 0.00 58.31 57.02 1p8k n LYS 60 Cb 0.63 -1.54 0.02 0.00 0.02 0.00 0.00 35.03 34.16 1p8k n LYS 60 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1p8k n ARG 61 N -2.79 -1.39 0.03 1.64 5.12 -1.25 -2.44 116.66 115.58 1p8k n ARG 61 Ca -0.32 0.90 0.02 0.00 -1.93 0.00 0.00 57.85 56.52 1p8k n ARG 61 Cb 1.15 -1.63 0.04 0.00 -1.16 0.00 0.00 32.46 30.85 1p8k n ARG 61 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1p8k n ASN 62 N -0.74 0.00 -0.01 0.55 3.02 -1.26 -1.54 115.26 115.29 1p8k n ASN 62 Ca -0.15 0.15 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 1p8k n ASN 62 Cb 0.54 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.58 1p8k n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p8k n GLU 63 N -1.26 0.92 -2.95 3.52 -0.58 -1.23 -4.93 120.64 114.12 1p8k n GLU 63 Ca 0.02 -0.10 -0.42 0.00 -0.42 0.00 0.00 57.16 56.24 1p8k n GLU 63 Cb 0.29 -1.32 -0.05 0.00 -0.57 0.00 0.00 31.44 29.80 1p8k n GLU 63 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1p8k s ILE 64 N -2.87 4.77 0.77 -3.67 1.09 -0.59 -5.08 121.20 115.62 1p8k s ILE 64 Ca -0.03 1.07 -0.09 0.00 -1.10 0.00 0.00 60.65 60.51 1p8k s ILE 64 Cb 0.10 -4.16 0.17 0.00 -1.06 0.00 0.00 42.46 37.50 1p8k s ILE 64 CO 0.62 -0.31 1.05 -0.62 -0.10 0.00 0.00 174.94 175.58 1p8k n GLU 65 N 6.27 -0.68 -3.67 2.79 1.02 -1.25 -3.97 120.64 121.15 1p8k n GLU 65 Ca 0.03 -2.04 -0.15 0.00 -0.02 0.00 0.00 57.16 54.98 1p8k n GLU 65 Cb 0.48 -0.95 -0.08 0.00 -0.02 0.00 0.00 31.44 30.88 1p8k n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1p8k s VAL 67 N -3.20 0.04 -0.04 2.62 1.01 0.26 -1.86 120.40 119.24 1p8k s VAL 67 Ca 0.63 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1p8k s VAL 67 Cb -0.02 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1p8k s VAL 67 CO 0.43 -0.16 0.10 0.00 0.00 0.00 0.00 175.10 175.47 1p8k s ALA 68 N -1.30 -0.23 -0.15 5.51 0.00 -0.46 0.17 121.76 125.30 1p8k s ALA 68 Ca -0.12 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 1p8k s ALA 68 Cb -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1p8k s ALA 68 CO 0.06 -0.05 -0.04 -1.17 0.00 0.00 0.00 175.76 174.57 1p8k s LEU 69 N 0.08 3.25 -0.04 0.00 2.96 -0.89 -1.31 118.68 122.73 1p8k s LEU 69 Ca -0.00 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1p8k s LEU 69 Cb -0.01 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.93 1p8k s LEU 69 CO -0.00 0.18 0.04 -0.13 -1.32 0.00 0.00 176.35 175.12 1p8k s ARG 70 N 0.27 0.10 -0.28 1.98 0.52 0.13 -2.48 118.95 119.20 1p8k s ARG 70 Ca -0.03 0.27 -0.07 0.00 -0.52 0.00 0.00 55.73 55.38 1p8k s ARG 70 Cb -0.14 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.76 1p8k s ARG 70 CO 0.03 -0.29 0.06 0.42 0.02 0.00 0.00 175.30 175.55 1p8k s ILE 71 N 1.88 3.96 0.00 1.52 1.01 -0.60 -1.38 121.20 127.59 1p8k s ILE 71 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1p8k s ILE 71 Cb -0.12 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1p8k s ILE 71 CO -0.03 0.17 0.00 0.54 0.00 0.00 0.00 174.94 175.61 1p8k n ARG 72 N 4.87 4.50 -2.09 2.79 1.74 -1.26 -1.71 116.66 125.51 1p8k n ARG 72 Ca -0.15 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.50 1p8k n ARG 72 Cb 0.49 -0.54 -0.03 0.00 -1.02 0.00 0.00 32.46 31.36 1p8k n ARG 72 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1p8k s ASP 73 N -1.04 6.05 0.24 0.55 -1.08 -1.26 -4.53 116.67 115.60 1p8k s ASP 73 Ca 0.00 1.24 -0.04 0.00 -0.52 0.00 0.00 52.55 53.22 1p8k s ASP 73 Cb 0.00 -2.53 0.39 0.00 -1.46 0.00 0.00 42.92 39.32 1p8k s ASP 73 CO 0.00 -1.59 1.81 0.11 0.52 0.00 0.00 175.17 176.01 1p8k h LYS 74 N 12.12 0.74 -0.61 4.34 1.57 -1.94 0.18 116.57 132.98 1p8k h LYS 74 Ca -0.32 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1p8k h LYS 74 Cb 1.15 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 1p8k h LYS 74 CO 1.04 0.49 0.39 -0.91 -0.57 0.00 0.00 179.45 179.89 1p8k h ASN 75 N 0.77 0.71 0.05 0.86 2.35 -1.99 0.30 115.58 118.64 1p8k h ASN 75 Ca 0.39 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 56.03 1p8k h ASN 75 Cb 0.37 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1p8k h ASN 75 CO -0.25 0.53 -0.25 0.45 -1.65 0.00 0.00 177.43 176.26 1p8k h HIS 76 N 0.83 0.36 0.14 1.19 3.86 -1.70 0.26 115.15 120.09 1p8k h HIS 76 Ca 0.22 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1p8k h HIS 76 Cb -0.07 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1p8k h HIS 76 CO -0.03 0.56 -0.07 -0.07 0.86 0.00 0.00 177.93 179.18 1p8k h LEU 77 N 0.30 -0.16 -0.65 2.43 3.38 0.37 0.28 115.31 121.26 1p8k h LEU 77 Ca 0.05 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1p8k h LEU 77 Cb 0.60 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1p8k h LEU 77 CO 0.04 0.23 0.34 0.11 0.09 0.00 0.00 178.44 179.26 1p8k h LYS 78 N -0.58 0.92 -0.03 1.13 1.57 -0.29 -0.69 116.57 118.60 1p8k h LYS 78 Ca -0.02 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.47 1p8k h LYS 78 Cb 0.45 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1p8k h LYS 78 CO 0.03 0.71 -0.73 0.77 -0.57 0.00 0.00 179.45 179.67 1p8k h SER 79 N 0.90 0.25 0.00 0.86 0.02 -0.45 -3.40 113.55 111.73 1p8k h SER 79 Ca 0.23 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1p8k h SER 79 Cb 0.07 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1p8k h SER 79 CO -0.03 0.89 -0.99 0.49 -1.14 0.00 0.00 176.83 176.05 1p8k n PHE 80 N -3.77 0.00 -0.01 3.45 3.01 0.97 -4.82 117.46 116.30 1p8k n PHE 80 Ca -0.03 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.34 1p8k n PHE 80 Cb 0.70 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.10 1p8k n PHE 80 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1p8k h ILE 81 N 0.00 0.94 -0.08 4.37 1.08 -1.13 -3.22 117.51 119.47 1p8k h ILE 81 Ca 0.00 -1.47 0.02 0.00 -0.39 0.00 0.00 64.86 63.01 1p8k h ILE 81 Cb 0.99 1.69 -0.04 0.00 -3.07 0.00 0.00 36.82 36.39 1p8k h ILE 81 CO 0.00 0.29 -0.32 -0.07 -0.69 0.00 0.00 178.15 177.36 1p8k h LEU 82 N -0.94 -1.01 -0.81 1.44 3.38 -1.55 -0.91 115.31 114.92 1p8k h LEU 82 Ca -0.01 0.12 0.27 0.00 0.09 0.00 0.00 57.88 58.35 1p8k h LEU 82 Cb 0.54 0.39 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 1p8k h LEU 82 CO 0.02 -0.28 0.19 -0.81 0.09 0.00 0.00 178.44 177.65 1p8k n PRO 83 N -4.23 -0.06 0.52 1.13 -0.04 -1.26 -0.05 135.00 131.01 1p8k n PRO 83 Ca -0.04 1.17 -0.21 0.00 -0.04 0.00 0.00 63.50 64.39 1p8k n PRO 83 Cb 0.22 -1.96 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 1p8k n PRO 83 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1p8k h ILE 84 N 0.00 0.02 0.00 0.52 1.08 -1.18 -2.16 117.51 115.78 1p8k h ILE 84 Ca 0.57 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.04 1p8k h ILE 84 Cb 1.35 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1p8k h ILE 84 CO -0.70 0.00 0.00 0.49 -0.69 0.00 0.00 178.15 177.25 1p8k n PHE 85 N -5.67 0.00 -0.01 1.37 3.01 0.93 -0.65 117.46 116.43 1p8k n PHE 85 Ca -0.17 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.11 1p8k n PHE 85 Cb 0.53 -0.47 -0.14 0.00 -0.01 0.00 0.00 39.48 39.39 1p8k n PHE 85 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1p8k h GLU 86 N 0.00 0.16 -0.10 -1.08 4.39 -0.86 -2.95 114.58 114.13 1p8k h GLU 86 Ca 0.00 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 1p8k h GLU 86 Cb 0.15 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1p8k h GLU 86 CO 0.00 1.13 0.01 -0.22 -1.16 0.00 0.00 179.01 178.77 1p8k h LYS 87 N -0.62 0.18 -2.62 2.33 1.63 -0.69 -3.35 116.57 113.42 1p8k h LYS 87 Ca -0.16 -0.05 -0.61 0.00 -0.85 0.00 0.00 60.65 58.99 1p8k h LYS 87 Cb 1.43 -0.02 -0.41 0.00 -0.60 0.00 0.00 32.23 32.63 1p8k h LYS 87 CO 0.04 0.40 -0.66 0.66 -3.45 0.00 0.00 179.45 176.44 1p8k n TYR 88 N -4.84 2.69 0.00 1.91 4.02 0.17 -5.10 117.16 116.02 1p8k n TYR 88 Ca -0.06 -4.10 0.00 0.00 -0.01 0.00 0.00 57.90 53.73 1p8k n TYR 88 Cb 0.18 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 39.01 1p8k n TYR 88 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1p8k n PRO 89 N 1.62 2.77 0.00 -0.72 -0.04 -1.11 -4.58 135.00 132.94 1p8k n PRO 89 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1p8k n PRO 89 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1p8k n PRO 89 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1p8k n PHE 91 N 0.00 0.00 -0.85 0.54 3.01 -1.26 -5.08 117.46 113.82 1p8k n PHE 91 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 1p8k n PHE 91 Cb 0.00 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 39.70 1p8k n PHE 91 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1p8k s SER 92 N -2.92 1.28 0.00 4.37 1.04 -1.26 -4.55 113.70 111.66 1p8k s SER 92 Ca 0.00 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.57 1p8k s SER 92 Cb 0.00 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1p8k s SER 92 CO 0.00 -3.96 0.15 -0.46 0.98 0.00 0.00 173.24 169.95 1p8k n ASN 93 N -4.72 0.00 0.13 7.02 6.94 -1.26 -2.03 115.26 121.33 1p8k n ASN 93 Ca 0.06 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.63 1p8k n ASN 93 Cb 0.57 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.02 1p8k n ASN 93 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1p8k h LYS 94 N 0.00 0.00 -0.63 -3.83 1.79 -1.91 -3.26 116.57 108.72 1p8k h LYS 94 Ca 0.00 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.65 1p8k h LYS 94 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1p8k h LYS 94 CO 0.00 0.59 0.69 0.37 -1.08 0.00 0.00 179.45 180.02 1p8k h GLN 95 N 0.00 0.00 -0.55 3.15 5.75 -1.74 0.76 115.11 122.48 1p8k h GLN 95 Ca -0.01 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1p8k h GLN 95 Cb 1.42 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.93 1p8k h GLN 95 CO 0.08 0.00 0.37 1.88 -2.65 0.00 0.00 178.83 178.50 1p8k h TYR 96 N 0.00 0.54 0.06 3.99 0.99 -1.83 0.50 116.97 121.22 1p8k h TYR 96 Ca 0.30 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.04 1p8k h TYR 96 Cb 1.68 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 39.23 1p8k h TYR 96 CO 0.00 0.30 -0.03 -0.44 -0.00 0.00 0.00 178.16 177.99 1p8k h ASP 97 N 0.55 -0.06 -0.59 3.88 5.19 0.30 -1.17 116.42 124.53 1p8k h ASP 97 Ca 0.23 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1p8k h ASP 97 Cb 0.23 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 1p8k h ASP 97 CO -0.06 0.29 0.33 0.22 -3.12 0.00 0.00 179.24 176.89 1p8k h TYR 98 N -0.43 0.79 0.11 4.55 3.20 -1.21 0.37 116.97 124.36 1p8k h TYR 98 Ca -0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1p8k h TYR 98 Cb 0.38 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1p8k h TYR 98 CO 0.04 0.57 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.01 1p8k h LEU 99 N 0.79 -0.12 0.22 2.82 3.38 -0.06 0.33 115.31 122.66 1p8k h LEU 99 Ca 0.21 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1p8k h LEU 99 Cb 0.03 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1p8k h LEU 99 CO -0.03 0.02 -0.28 -0.09 0.09 0.00 0.00 178.44 178.15 1p8k h ARG 100 N -0.26 -0.53 -0.20 1.13 9.65 -1.04 0.08 114.38 123.21 1p8k h ARG 100 Ca -0.01 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1p8k h ARG 100 Cb 0.21 0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 28.84 1p8k h ARG 100 CO 0.02 -0.35 -0.55 0.35 2.80 0.00 0.00 179.97 182.25 1p8k h PHE 101 N -0.55 -1.64 -0.53 2.20 3.57 -0.11 -1.82 116.94 118.07 1p8k h PHE 101 Ca 0.01 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.68 1p8k h PHE 101 Cb 0.53 0.74 -0.11 0.00 2.79 0.00 0.00 35.95 39.90 1p8k h PHE 101 CO -0.21 -0.53 -0.24 -0.09 -2.23 0.00 0.00 178.31 175.01 1p8k h ARG 102 N -0.54 -0.11 0.69 1.11 2.43 0.03 -1.03 114.38 116.97 1p8k h ARG 102 Ca 0.04 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1p8k h ARG 102 Cb 0.66 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1p8k h ARG 102 CO -0.47 -0.07 -0.45 -0.97 -1.51 0.00 0.00 179.97 176.49 1p8k h ASN 103 N -0.11 -1.16 -0.99 -3.80 -1.24 -0.59 0.18 115.58 107.87 1p8k h ASN 103 Ca 0.24 0.07 0.22 0.00 0.71 0.00 0.00 56.30 57.55 1p8k h ASN 103 Cb 0.50 0.35 -0.12 0.00 0.73 0.00 0.00 38.32 39.77 1p8k h ASN 103 CO -0.61 -0.69 0.58 0.00 -1.29 0.00 0.00 177.43 175.43 1p8k h ALA 104 N -0.92 1.71 0.57 1.57 0.00 -1.04 0.30 119.26 121.46 1p8k h ALA 104 Ca -0.09 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1p8k h ALA 104 Cb 0.89 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1p8k h ALA 104 CO 0.07 -0.20 -0.28 1.25 0.00 0.00 0.00 179.25 180.10 1p8k h LEU 105 N 0.63 -0.65 -2.29 0.00 5.85 -0.64 -1.57 115.31 116.63 1p8k h LEU 105 Ca 0.61 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.36 1p8k h LEU 105 Cb 1.10 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1p8k h LEU 105 CO -0.45 -0.32 0.00 -0.07 -0.34 0.00 0.00 178.44 177.27 1p8k h LEU 106 N -1.07 0.00 -0.95 2.25 3.38 -0.03 0.02 115.31 118.92 1p8k h LEU 106 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1p8k h LEU 106 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1p8k h LEU 106 CO 0.13 0.00 0.00 0.28 0.09 0.00 0.00 178.44 178.94 1p8k h SER 107 N 0.00 0.00 0.00 -0.43 0.02 -0.41 -3.46 113.55 109.26 1p8k h SER 107 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1p8k h SER 107 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1p8k h SER 107 CO -0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1p8k n GLY 108 N 0.23 0.52 3.66 -3.77 0.00 -0.01 -4.99 105.19 100.83 1p8k n GLY 108 Ca 0.02 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1p8k n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p8k s ILE 109 N -2.00 3.64 0.00 -0.61 1.01 -0.61 -4.82 121.20 117.82 1p8k s ILE 109 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1p8k s ILE 109 Cb 0.00 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1p8k s ILE 109 CO 0.00 -0.09 0.43 2.30 0.00 0.00 0.00 174.94 177.58 1p8k n ILE 110 N 5.60 0.06 -4.65 2.92 -0.00 -1.26 -4.81 119.36 117.23 1p8k n ILE 110 Ca 0.17 -0.42 -0.23 0.00 -0.00 0.00 0.00 62.75 62.27 1p8k n ILE 110 Cb 0.43 1.17 -0.15 0.00 -0.00 0.00 0.00 39.64 41.09 1p8k n ILE 110 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1p8k s SER 111 N -0.06 1.97 0.45 7.28 0.15 -1.26 -3.51 113.70 118.73 1p8k s SER 111 Ca 0.00 -0.38 0.22 0.00 0.70 0.00 0.00 55.95 56.49 1p8k s SER 111 Cb 0.00 -0.19 1.21 0.00 -1.71 0.00 0.00 66.02 65.33 1p8k s SER 111 CO 0.00 0.15 1.86 0.25 1.20 0.00 0.00 173.24 176.70 1p8k h LEU 112 N 5.37 0.29 -0.91 3.45 5.85 -1.85 -1.68 115.31 125.82 1p8k h LEU 112 Ca -0.38 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1p8k h LEU 112 Cb 1.16 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1p8k h LEU 112 CO 0.46 0.10 0.00 -0.33 -0.34 0.00 0.00 178.44 178.34 1p8k h GLU 113 N 0.28 0.00 -0.33 1.25 3.07 -1.95 -2.85 114.58 114.05 1p8k h GLU 113 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1p8k h GLU 113 Cb 1.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1p8k h GLU 113 CO -0.14 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.22 1p8k n ASP 114 N -2.89 3.38 -4.58 1.42 8.00 -0.64 -4.93 116.55 116.31 1p8k n ASP 114 Ca 0.02 -2.40 -0.40 0.00 0.71 0.00 0.00 54.79 52.72 1p8k n ASP 114 Cb 0.35 -0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 41.00 1p8k n ASP 114 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1p8k s LEU 115 N -1.71 4.21 0.49 0.64 2.96 -1.08 -4.96 118.68 119.23 1p8k s LEU 115 Ca 0.32 0.11 -0.21 0.00 -0.22 0.00 0.00 54.13 54.13 1p8k s LEU 115 Cb 0.21 -2.48 -0.10 0.00 0.50 0.00 0.00 46.19 44.32 1p8k s LEU 115 CO 0.14 -0.31 0.64 -2.65 -1.32 0.00 0.00 176.35 172.85 1p8k n PRO 116 N 5.48 0.71 -2.43 0.98 -0.02 -1.26 -4.89 135.00 133.56 1p8k n PRO 116 Ca -0.07 0.26 -0.43 0.00 -2.02 0.00 0.00 63.50 61.25 1p8k n PRO 116 Cb 0.50 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.24 1p8k n PRO 116 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1p8k s ASP 117 N -1.01 6.96 -0.03 2.55 1.01 -1.26 -5.00 116.67 119.90 1p8k s ASP 117 Ca 0.66 1.72 0.06 0.00 0.71 0.00 0.00 52.55 55.70 1p8k s ASP 117 Cb -0.52 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 40.85 1p8k s ASP 117 CO 0.56 -0.73 -0.21 -0.47 0.21 0.00 0.00 175.17 174.53 1p8k s TYR 118 N 3.25 1.99 -0.13 4.23 5.04 -1.26 -5.11 117.35 125.35 1p8k s TYR 118 Ca 0.55 -0.47 -0.05 0.00 -2.44 0.00 0.00 57.07 54.65 1p8k s TYR 118 Cb -0.22 -1.30 0.06 0.00 0.35 0.00 0.00 41.96 40.85 1p8k s TYR 118 CO 0.16 -0.11 0.27 0.95 -1.34 0.00 0.00 175.55 175.49 1p8k s THR 119 N -0.30 -0.25 0.24 4.34 -4.23 -1.26 -5.14 115.64 109.04 1p8k s THR 119 Ca 0.03 0.21 -0.31 0.00 -1.18 0.00 0.00 61.69 60.43 1p8k s THR 119 Cb -0.10 -0.44 -0.13 0.00 1.34 0.00 0.00 72.50 73.17 1p8k s THR 119 CO 0.01 0.09 1.57 0.54 -0.54 0.00 0.00 174.62 176.29 1p8k n ARG 120 N 4.84 2.45 -2.36 3.99 1.74 -1.26 -4.99 116.66 121.07 1p8k n ARG 120 Ca -0.15 0.88 -0.31 0.00 -0.77 0.00 0.00 57.85 57.49 1p8k n ARG 120 Cb 0.51 -2.64 -0.02 0.00 -1.02 0.00 0.00 32.46 29.29 1p8k n ARG 120 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1p8k s SER 121 N 0.66 6.49 0.00 0.55 0.15 -1.26 -4.91 113.70 115.37 1p8k s SER 121 Ca 0.70 1.42 0.22 0.00 0.70 0.00 0.00 55.95 58.99 1p8k s SER 121 Cb -0.57 -2.45 -0.15 0.00 -1.71 0.00 0.00 66.02 61.14 1p8k s SER 121 CO 0.43 -0.62 0.89 0.47 1.20 0.00 0.00 173.24 175.61 1p8k n ASP 122 N -1.85 0.75 -4.66 5.45 8.00 -1.26 -4.89 116.55 118.09 1p8k n ASP 122 Ca 0.05 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.46 1p8k n ASP 122 Cb 0.54 1.07 -0.03 0.00 -0.02 0.00 0.00 41.12 42.69 1p8k n ASP 122 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1p8k s GLU 123 N -3.11 4.13 1.02 -1.24 2.56 -1.26 -4.90 118.70 115.90 1p8k s GLU 123 Ca 0.05 2.60 -0.12 0.00 0.00 0.00 0.00 54.97 57.51 1p8k s GLU 123 Cb 0.16 -4.16 0.20 0.00 2.00 0.00 0.00 34.13 32.32 1p8k s GLU 123 CO 0.85 -0.97 1.08 -1.25 -0.56 0.00 0.00 175.26 174.42 1p8k s PRO 124 N 4.48 0.25 -0.10 4.30 0.04 -1.26 -4.82 135.00 137.89 1p8k s PRO 124 Ca 0.88 1.01 0.11 0.00 0.04 0.00 0.00 61.00 63.05 1p8k s PRO 124 Cb -0.42 -1.68 -0.16 0.00 0.04 0.00 0.00 34.50 32.28 1p8k s PRO 124 CO 0.41 -2.98 0.10 1.28 0.04 0.00 0.00 177.00 175.84 1p8k n LEU 125 N -4.42 0.00 0.00 -3.56 4.32 -1.26 -5.03 117.00 107.05 1p8k n LEU 125 Ca 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.96 1p8k n LEU 125 Cb 0.54 0.23 -0.02 0.00 -1.62 0.00 0.00 43.42 42.55 1p8k n LEU 125 CO 0.55 0.23 -0.06 0.59 -1.22 0.00 0.00 177.39 177.47 1p8k n ASN 126 N -2.34 1.46 -3.76 -1.43 4.13 -1.26 -5.15 115.26 106.92 1p8k n ASN 126 Ca -0.16 -1.76 -0.13 0.00 1.68 0.00 0.00 54.58 54.22 1p8k n ASN 126 Cb 0.77 0.29 -0.08 0.00 -1.54 0.00 0.00 39.78 39.22 1p8k n ASN 126 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1p8k s SER 127 N -1.89 -0.17 0.00 6.41 1.04 -1.26 -4.98 113.70 112.84 1p8k s SER 127 Ca 0.05 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1p8k s SER 127 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1p8k s SER 127 CO 0.04 -0.50 0.00 -0.38 0.98 0.00 0.00 173.24 173.38 1p8k n ILE 128 N 1.06 0.00 -0.33 -1.02 2.08 -1.26 -0.34 119.36 119.55 1p8k n ILE 128 Ca -0.21 0.00 0.24 0.00 0.56 0.00 0.00 62.75 63.34 1p8k n ILE 128 Cb 0.57 0.00 0.46 0.00 -0.75 0.00 0.00 39.64 39.92 1p8k n ILE 128 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1p8k h GLU 129 N 0.00 0.10 -0.21 0.38 4.39 -1.97 0.49 114.58 117.75 1p8k h GLU 129 Ca 0.00 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1p8k h GLU 129 Cb 0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1p8k h GLU 129 CO 0.00 0.07 -0.11 1.03 -1.16 0.00 0.00 179.01 178.83 1p8k h SER 130 N 0.11 0.47 0.00 1.42 0.87 -1.10 -1.65 113.55 113.67 1p8k h SER 130 Ca 0.73 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1p8k h SER 130 Cb 1.77 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 1p8k h SER 130 CO -0.75 0.79 0.00 -0.38 -0.53 0.00 0.00 176.83 175.96 1p8k n ILE 131 N -4.53 0.00 -0.55 2.23 2.08 0.05 -2.86 119.36 115.77 1p8k n ILE 131 Ca -0.05 1.45 0.45 0.00 0.56 0.00 0.00 62.75 65.17 1p8k n ILE 131 Cb 0.34 -2.42 0.69 0.00 -0.75 0.00 0.00 39.64 37.51 1p8k n ILE 131 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1p8k n ILE 132 N -1.93 0.00 1.04 1.39 2.08 -0.51 -1.01 119.36 120.42 1p8k n ILE 132 Ca 0.00 1.40 0.12 0.00 0.56 0.00 0.00 62.75 64.83 1p8k n ILE 132 Cb 0.00 -2.39 0.11 0.00 -0.75 0.00 0.00 39.64 36.61 1p8k n ILE 132 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1p8k n ASN 133 N -3.69 2.59 -4.75 4.38 5.03 -0.62 -4.93 115.26 113.27 1p8k n ASN 133 Ca 0.38 -1.81 -0.40 0.00 0.87 0.00 0.00 54.58 53.62 1p8k n ASN 133 Cb 1.86 0.13 -0.06 0.00 -1.02 0.00 0.00 39.78 40.69 1p8k n ASN 133 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1p8k s THR 134 N -2.14 4.13 0.08 3.41 -4.23 -0.18 -4.98 115.64 111.73 1p8k s THR 134 Ca 0.26 2.05 -0.28 0.00 -1.18 0.00 0.00 61.69 62.55 1p8k s THR 134 Cb 0.20 -4.31 -0.12 0.00 1.34 0.00 0.00 72.50 69.61 1p8k s THR 134 CO 0.38 0.49 1.44 0.77 -0.54 0.00 0.00 174.62 177.16 1p8k h SER 135 N 4.28 -1.28 0.06 3.99 4.64 -1.91 -2.62 113.55 120.71 1p8k h SER 135 Ca -0.45 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1p8k h SER 135 Cb 1.20 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1p8k h SER 135 CO 0.68 -0.45 0.00 0.00 -0.87 0.00 0.00 176.83 176.20 1p8k n TYR 136 N -4.86 0.00 -0.16 4.77 0.18 -1.26 -4.00 117.16 111.83 1p8k n TYR 136 Ca -0.07 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.60 1p8k n TYR 136 Cb 0.33 -0.30 -0.09 0.00 -0.38 0.00 0.00 39.34 38.90 1p8k n TYR 136 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1p8k h PHE 137 N 0.00 -1.53 -1.00 -3.48 3.57 -1.78 -0.54 116.94 112.19 1p8k h PHE 137 Ca 0.00 0.08 0.38 0.00 3.53 0.00 0.00 57.97 61.96 1p8k h PHE 137 Cb 0.03 0.72 -0.18 0.00 2.79 0.00 0.00 35.95 39.32 1p8k h PHE 137 CO 0.00 -0.41 0.41 0.66 -2.23 0.00 0.00 178.31 176.74 1p8k h SER 138 N -0.29 0.13 0.05 0.41 4.64 -1.83 0.25 113.55 116.92 1p8k h SER 138 Ca 0.08 0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1p8k h SER 138 Cb 0.49 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1p8k h SER 138 CO -0.57 -0.40 -0.02 0.00 -0.87 0.00 0.00 176.83 174.96 1p8k h ALA 139 N 1.99 -0.07 -0.63 5.18 0.00 -1.45 -3.15 119.26 121.13 1p8k h ALA 139 Ca 0.78 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 55.48 1p8k h ALA 139 Cb 1.95 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.65 1p8k h ALA 139 CO -0.80 -0.17 -0.35 2.35 0.00 0.00 0.00 179.25 180.28 1p8k h TRP 140 N -0.80 -0.97 -0.34 0.00 7.01 0.81 0.20 115.95 121.85 1p8k h TRP 140 Ca -0.01 0.08 0.10 0.00 2.11 0.00 0.00 58.89 61.17 1p8k h TRP 140 Cb 0.65 0.52 -0.01 0.00 -2.10 0.00 0.00 29.16 28.21 1p8k h TRP 140 CO 0.15 -0.39 0.38 1.25 -2.79 0.00 0.00 178.44 177.04 1p8k h LEU 141 N -0.15 0.00 -0.07 0.65 5.85 -0.95 0.88 115.31 121.52 1p8k h LEU 141 Ca 0.24 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1p8k h LEU 141 Cb 0.56 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1p8k h LEU 141 CO -0.71 0.00 -0.06 0.58 -0.34 0.00 0.00 178.44 177.91 1p8k h VAL 142 N 0.00 1.37 -0.54 1.05 2.07 -0.56 -0.64 116.25 118.99 1p8k h VAL 142 Ca 0.16 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 1p8k h VAL 142 Cb 0.92 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1p8k h VAL 142 CO -0.00 0.33 0.02 1.23 0.02 0.00 0.00 177.57 179.17 1p8k h GLY 143 N -0.27 1.02 1.75 2.17 0.00 -0.74 0.12 103.07 107.12 1p8k h GLY 143 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1p8k h GLY 143 CO 0.02 0.68 0.16 -2.75 0.00 0.00 0.00 176.54 174.65 1p8k h PHE 144 N 0.82 0.31 0.03 5.60 3.57 -0.98 0.13 116.94 126.42 1p8k h PHE 144 Ca 0.16 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1p8k h PHE 144 Cb 0.51 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1p8k h PHE 144 CO 0.04 0.19 -0.01 0.82 -2.23 0.00 0.00 178.31 177.11 1p8k h ILE 145 N 0.33 1.41 -0.98 1.41 2.04 -0.58 0.30 117.51 121.44 1p8k h ILE 145 Ca 0.09 -1.59 0.22 0.00 1.00 0.00 0.00 64.86 64.58 1p8k h ILE 145 Cb -0.03 2.43 -0.19 0.00 -0.74 0.00 0.00 36.82 38.30 1p8k h ILE 145 CO -0.02 0.39 -0.17 1.21 0.00 0.00 0.00 178.15 179.57 1p8k n GLU 146 N -4.77 -0.09 0.05 2.37 4.07 0.37 -0.04 120.64 122.60 1p8k n GLU 146 Ca -0.09 1.51 -0.12 0.00 -0.06 0.00 0.00 57.16 58.41 1p8k n GLU 146 Cb 0.33 -2.30 -0.08 0.00 -0.06 0.00 0.00 31.44 29.33 1p8k n GLU 146 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1p8k h ALA 147 N 1.96 -0.20 0.00 4.31 0.00 -0.70 -3.42 119.26 121.21 1p8k h ALA 147 Ca 0.51 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1p8k h ALA 147 Cb 0.87 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1p8k h ALA 147 CO -0.99 -0.32 0.00 0.39 0.00 0.00 0.00 179.25 178.33 1p8k n GLU 148 N -4.93 -0.65 -2.05 0.00 1.02 0.11 -4.85 120.64 109.28 1p8k n GLU 148 Ca -0.08 -0.55 -0.32 0.00 -0.02 0.00 0.00 57.16 56.20 1p8k n GLU 148 Cb 0.27 -0.97 -0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1p8k n GLU 148 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1p8k s GLY 149 N -0.07 1.89 -0.08 0.62 0.00 0.94 -4.43 107.32 106.18 1p8k s GLY 149 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 1p8k s GLY 149 CO 0.00 0.40 0.01 0.00 0.00 0.00 0.00 173.10 173.51 1p8k s PHE 151 N 1.98 3.41 0.13 0.00 0.40 -1.26 -1.08 117.98 121.56 1p8k s PHE 151 Ca 0.05 0.32 -0.20 0.00 -0.60 0.00 0.00 56.93 56.50 1p8k s PHE 151 Cb -0.13 -2.09 0.05 0.00 0.51 0.00 0.00 43.02 41.37 1p8k s PHE 151 CO -0.05 0.37 0.49 0.45 0.70 0.00 0.00 175.22 177.17 1p8k s SER 152 N 0.04 -0.39 -0.01 1.36 0.15 -0.63 -4.95 113.70 109.27 1p8k s SER 152 Ca 0.09 -0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 1p8k s SER 152 Cb -0.11 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1p8k s SER 152 CO -0.00 -0.88 0.02 -0.69 1.20 0.00 0.00 173.24 172.89 1p8k s VAL 153 N -3.59 -0.00 -0.11 4.45 1.01 -1.26 -0.61 120.40 120.29 1p8k s VAL 153 Ca 0.01 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 1p8k s VAL 153 Cb 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 36.38 36.40 1p8k s VAL 153 CO -0.11 0.01 0.55 -0.72 0.00 0.00 0.00 175.10 174.83 1p8k s TYR 154 N 0.09 -0.54 0.59 5.22 1.13 -1.26 -4.91 117.35 117.68 1p8k s TYR 154 Ca -0.01 1.10 -0.18 0.00 -1.41 0.00 0.00 57.07 56.57 1p8k s TYR 154 Cb -0.01 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 1p8k s TYR 154 CO -0.00 -0.43 1.17 -1.59 -2.51 0.00 0.00 175.55 172.19 1p8k s LYS 155 N -0.60 3.03 0.14 -3.49 -2.85 -1.26 -1.67 119.74 113.04 1p8k s LYS 155 Ca -0.07 1.70 0.02 0.00 -1.00 0.00 0.00 55.97 56.62 1p8k s LYS 155 Cb -0.03 -1.95 -0.10 0.00 -2.06 0.00 0.00 37.83 33.69 1p8k s LYS 155 CO 0.05 -1.13 1.31 1.25 0.10 0.00 0.00 175.35 176.93 1p8k h LEU 156 N 0.83 0.25 -8.24 2.77 5.85 -0.51 -3.45 115.31 112.81 1p8k h LEU 156 Ca -0.50 -0.23 -0.33 0.00 0.84 0.00 0.00 57.88 57.66 1p8k h LEU 156 Cb 1.28 -0.08 -0.22 0.00 0.37 0.00 0.00 40.66 42.01 1p8k h LEU 156 CO 0.55 1.08 -0.75 0.20 -0.34 0.00 0.00 178.44 179.18 1p8k s ASN 157 N -6.94 1.16 0.00 1.25 0.01 -1.26 -5.08 114.94 104.08 1p8k s ASN 157 Ca -0.02 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 1p8k s ASN 157 Cb 0.09 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.75 1p8k s ASN 157 CO 0.84 -0.13 0.76 0.29 -1.51 0.00 0.00 177.10 177.35 1p8k n LYS 158 N 1.53 0.00 0.00 -0.60 5.02 -1.26 -4.02 118.16 118.82 1p8k n LYS 158 Ca -0.21 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1p8k n LYS 158 Cb 0.55 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1p8k n LYS 158 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1p8k n ASP 159 N -1.83 0.00 -4.70 4.39 3.85 -1.26 -4.69 116.55 112.32 1p8k n ASP 159 Ca 0.00 0.00 -0.38 0.00 -0.71 0.00 0.00 54.79 53.70 1p8k n ASP 159 Cb 0.00 0.00 0.05 0.00 -1.35 0.00 0.00 41.12 39.82 1p8k n ASP 159 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1p8k n ASP 160 N 0.00 1.90 -2.22 -1.12 2.03 -1.26 -4.93 116.55 110.95 1p8k n ASP 160 Ca 0.00 0.89 -0.19 0.00 0.52 0.00 0.00 54.79 56.01 1p8k n ASP 160 Cb 0.00 -1.51 -0.10 0.00 -0.72 0.00 0.00 41.12 38.80 1p8k n ASP 160 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1p8k n ASP 161 N -1.09 5.92 -4.38 1.67 3.85 -1.26 -4.28 116.55 116.98 1p8k n ASP 161 Ca 0.13 -2.87 -0.45 0.00 -0.71 0.00 0.00 54.79 50.89 1p8k n ASP 161 Cb 0.46 -1.30 -0.07 0.00 -1.35 0.00 0.00 41.12 38.87 1p8k n ASP 161 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 1p8k s TYR 162 N -0.54 3.21 0.76 2.11 5.04 -1.26 -4.99 117.35 121.69 1p8k s TYR 162 Ca 0.59 -0.97 -0.11 0.00 -2.44 0.00 0.00 57.07 54.14 1p8k s TYR 162 Cb 0.34 -3.40 0.05 0.00 0.35 0.00 0.00 41.96 39.30 1p8k s TYR 162 CO -0.11 -0.90 1.08 -0.51 -1.34 0.00 0.00 175.55 173.77 1p8k s LEU 163 N 1.80 2.97 -0.04 6.97 1.43 -1.26 0.20 118.68 130.75 1p8k s LEU 163 Ca 0.05 1.71 -0.02 0.00 -1.03 0.00 0.00 54.13 54.85 1p8k s LEU 163 Cb -0.25 -4.43 -0.02 0.00 0.03 0.00 0.00 46.19 41.52 1p8k s LEU 163 CO 0.06 -1.93 -0.05 -0.38 0.23 0.00 0.00 176.35 174.28 1p8k n ILE 164 N -3.45 0.27 -2.42 -0.59 2.08 -0.67 -4.77 119.36 109.81 1p8k n ILE 164 Ca 0.08 -0.04 -0.00 0.00 0.56 0.00 0.00 62.75 63.35 1p8k n ILE 164 Cb 0.53 -1.56 -0.00 0.00 -0.75 0.00 0.00 39.64 37.86 1p8k n ILE 164 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1p8k n ALA 165 N -3.20 -3.39 -2.52 -1.39 0.00 -1.25 -4.93 120.51 103.81 1p8k n ALA 165 Ca -0.08 0.49 -0.25 0.00 0.00 0.00 0.00 53.44 53.60 1p8k n ALA 165 Cb 0.54 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 1p8k n ALA 165 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1p8k s SER 166 N -1.19 3.60 -0.06 0.00 1.04 0.22 -4.60 113.70 112.71 1p8k s SER 166 Ca -0.02 -1.19 0.01 0.00 0.48 0.00 0.00 55.95 55.23 1p8k s SER 166 Cb 0.00 -0.32 0.02 0.00 0.10 0.00 0.00 66.02 65.82 1p8k s SER 166 CO 0.60 -0.21 -0.06 0.12 0.98 0.00 0.00 173.24 174.68 1p8k s PHE 167 N -2.65 0.99 0.23 5.02 5.36 -1.10 -1.60 117.98 124.21 1p8k s PHE 167 Ca 0.32 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 1p8k s PHE 167 Cb 0.02 -0.85 -0.04 0.00 -0.34 0.00 0.00 43.02 41.81 1p8k s PHE 167 CO 0.16 -0.27 0.13 0.16 -1.46 0.00 0.00 175.22 173.94 1p8k s ASP 168 N 1.12 0.64 -0.29 6.13 -4.77 -0.24 -1.67 116.67 117.58 1p8k s ASP 168 Ca -0.07 -1.42 -0.18 0.00 -3.30 0.00 0.00 52.55 47.57 1p8k s ASP 168 Cb -0.14 0.33 0.15 0.00 -1.09 0.00 0.00 42.92 42.17 1p8k s ASP 168 CO -0.01 -0.83 1.06 -0.51 0.70 0.00 0.00 175.17 175.59 1p8k s ILE 169 N -3.96 0.00 0.30 2.11 2.07 0.09 -0.06 121.20 121.74 1p8k s ILE 169 Ca 0.38 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.65 1p8k s ILE 169 Cb 0.07 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.60 1p8k s ILE 169 CO 0.14 0.00 0.08 0.00 -1.91 0.00 0.00 174.94 173.25 1p8k s ALA 170 N 0.99 2.07 -0.28 1.50 0.00 -1.26 -0.47 121.76 124.32 1p8k s ALA 170 Ca -0.05 -1.96 -0.20 0.00 0.00 0.00 0.00 51.96 49.75 1p8k s ALA 170 Cb -0.04 0.85 0.11 0.00 0.00 0.00 0.00 23.12 24.04 1p8k s ALA 170 CO -0.13 -0.38 0.86 -1.14 0.00 0.00 0.00 175.76 174.98 1p8k s GLN 171 N -3.95 0.58 0.39 0.00 2.00 -0.28 -4.97 119.66 113.43 1p8k s GLN 171 Ca 0.37 0.87 -0.25 0.00 -2.00 0.00 0.00 55.36 54.34 1p8k s GLN 171 Cb 0.08 0.19 -0.09 0.00 0.80 0.00 0.00 33.01 34.00 1p8k s GLN 171 CO 0.15 -0.10 1.15 0.50 -0.50 0.00 0.00 175.29 176.48 1p8k s ARG 172 N 0.99 4.10 -1.34 1.67 6.06 -1.26 -0.92 118.95 128.25 1p8k s ARG 172 Ca -0.05 1.78 0.00 0.00 -2.50 0.00 0.00 55.73 54.96 1p8k s ARG 172 Cb -0.05 -2.68 0.00 0.00 0.06 0.00 0.00 34.95 32.29 1p8k s ARG 172 CO -0.11 -0.26 0.00 -0.25 -2.50 0.00 0.00 175.30 172.17 1p8k n ASP 173 N 0.11 -3.93 -2.37 -2.12 8.00 0.16 -4.86 116.55 111.54 1p8k n ASP 173 Ca 0.04 0.31 -0.28 0.00 0.71 0.00 0.00 54.79 55.57 1p8k n ASP 173 Cb 0.47 -3.43 0.02 0.00 -0.02 0.00 0.00 41.12 38.16 1p8k n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p8k n GLY 174 N -0.13 6.07 0.17 0.44 0.00 -1.20 -4.79 105.19 105.75 1p8k n GLY 174 Ca -0.13 -2.66 -0.06 0.00 0.00 0.00 0.00 46.02 43.18 1p8k n GLY 174 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1p8k h ASP 175 N 2.45 0.18 -0.45 1.61 3.58 -1.88 0.37 116.42 122.29 1p8k h ASP 175 Ca 0.39 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.86 1p8k h ASP 175 Cb 1.00 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1p8k h ASP 175 CO 0.96 0.14 0.25 0.40 -2.88 0.00 0.00 179.24 178.11 1p8k h ILE 176 N 0.32 1.16 0.81 2.25 1.08 -1.94 0.13 117.51 121.32 1p8k h ILE 176 Ca 0.17 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 64.20 1p8k h ILE 176 Cb 0.14 0.62 0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1p8k h ILE 176 CO -0.16 0.17 -0.39 0.25 -0.69 0.00 0.00 178.15 177.33 1p8k h LEU 177 N 0.59 -0.92 -0.93 1.44 5.85 -1.75 0.17 115.31 119.76 1p8k h LEU 177 Ca 0.16 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.02 1p8k h LEU 177 Cb 0.05 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 1p8k h LEU 177 CO -0.03 -0.62 0.56 0.40 -0.34 0.00 0.00 178.44 178.42 1p8k h ILE 178 N -1.15 0.88 -0.46 4.05 1.08 -0.23 -1.76 117.51 119.92 1p8k h ILE 178 Ca -0.11 -0.30 -0.06 0.00 -0.39 0.00 0.00 64.86 64.00 1p8k h ILE 178 Cb 0.84 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1p8k h ILE 178 CO 0.18 0.16 0.06 0.28 -0.69 0.00 0.00 178.15 178.15 1p8k h SER 179 N 0.87 0.74 -0.49 1.72 0.02 -0.57 -1.26 113.55 114.58 1p8k h SER 179 Ca 0.47 -0.27 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1p8k h SER 179 Cb 0.50 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 1p8k h SER 179 CO -0.28 0.82 0.22 0.00 -1.14 0.00 0.00 176.83 176.45 1p8k h ALA 180 N 0.95 0.62 0.36 3.77 0.00 -0.11 0.43 119.26 125.28 1p8k h ALA 180 Ca 0.14 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1p8k h ALA 180 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1p8k h ALA 180 CO 0.01 -0.14 -0.17 0.82 0.00 0.00 0.00 179.25 179.77 1p8k h ILE 181 N 0.44 0.65 -0.79 0.00 2.04 -1.26 0.11 117.51 118.69 1p8k h ILE 181 Ca 0.22 -0.01 0.16 0.00 1.00 0.00 0.00 64.86 66.23 1p8k h ILE 181 Cb 0.17 0.65 -0.15 0.00 -0.74 0.00 0.00 36.82 36.75 1p8k h ILE 181 CO -0.18 0.00 -0.21 -0.09 0.00 0.00 0.00 178.15 177.67 1p8k h ARG 182 N -0.49 -0.01 0.82 2.37 2.43 -0.27 0.32 114.38 119.55 1p8k h ARG 182 Ca -0.05 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1p8k h ARG 182 Cb 0.38 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1p8k h ARG 182 CO 0.08 -0.01 -0.40 -0.22 -1.51 0.00 0.00 179.97 177.92 1p8k h LYS 183 N -0.01 -1.07 -0.96 0.20 3.64 0.49 -1.16 116.57 117.71 1p8k h LYS 183 Ca 0.37 0.07 0.17 0.00 -1.27 0.00 0.00 60.65 59.99 1p8k h LYS 183 Cb 0.58 0.24 -0.17 0.00 -0.41 0.00 0.00 32.23 32.48 1p8k h LYS 183 CO -0.81 -0.70 -0.32 0.98 -2.27 0.00 0.00 179.45 176.32 1p8k n TYR 184 N -5.55 0.15 1.53 1.91 9.36 0.31 0.11 117.16 124.98 1p8k n TYR 184 Ca -0.15 1.17 0.07 0.00 3.32 0.00 0.00 57.90 62.32 1p8k n TYR 184 Cb 0.44 -0.94 0.30 0.00 -0.63 0.00 0.00 39.34 38.52 1p8k n TYR 184 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1p8k n LEU 185 N -5.47 0.90 -2.84 2.98 4.32 -0.44 -4.92 117.00 111.52 1p8k n LEU 185 Ca 0.12 -0.41 -0.22 0.00 -0.02 0.00 0.00 56.01 55.48 1p8k n LEU 185 Cb 0.42 -0.08 0.02 0.00 -1.62 0.00 0.00 43.42 42.16 1p8k n LEU 185 CO -0.12 0.20 -0.08 -1.20 -1.22 0.00 0.00 177.39 174.97 1p8k n SER 186 N -0.12 -5.98 -4.87 -1.43 7.64 0.29 -4.87 113.62 104.28 1p8k n SER 186 Ca 0.11 -0.20 -0.31 0.00 1.01 0.00 0.00 58.87 59.48 1p8k n SER 186 Cb 0.18 -4.88 0.04 0.00 -1.01 0.00 0.00 64.21 58.53 1p8k n SER 186 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1p8k s PHE 187 N -3.13 3.40 0.00 1.43 2.99 -0.48 -4.98 117.98 117.21 1p8k s PHE 187 Ca 0.21 1.18 0.00 0.00 0.00 0.00 0.00 56.93 58.32 1p8k s PHE 187 Cb -0.10 -2.92 0.00 0.00 0.00 0.00 0.00 43.02 40.00 1p8k s PHE 187 CO 0.27 -1.03 0.59 0.25 -0.00 0.00 0.00 175.22 175.30 1p8k n THR 188 N -2.94 0.30 -1.42 0.64 -2.24 -1.26 -4.71 114.28 102.65 1p8k n THR 188 Ca 0.07 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 1p8k n THR 188 Cb 0.56 0.96 0.09 0.00 -2.10 0.00 0.00 70.33 69.84 1p8k n THR 188 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1p8k s THR 189 N -0.30 2.36 -0.23 4.28 2.01 -1.26 -4.93 115.64 117.56 1p8k s THR 189 Ca 0.00 0.17 -0.25 0.00 0.31 0.00 0.00 61.69 61.92 1p8k s THR 189 Cb 0.00 -2.72 -0.00 0.00 0.01 0.00 0.00 72.50 69.79 1p8k s THR 189 CO 0.00 -0.10 0.86 -0.75 -0.69 0.00 0.00 174.62 173.94 1p8k s LYS 190 N -3.96 4.21 0.12 4.92 2.20 -1.26 -4.99 119.74 120.98 1p8k s LYS 190 Ca 0.73 1.02 -0.31 0.00 -0.36 0.00 0.00 55.97 57.05 1p8k s LYS 190 Cb -0.28 -3.63 -0.10 0.00 -1.51 0.00 0.00 37.83 32.31 1p8k s LYS 190 CO 0.46 -0.51 1.66 0.08 -0.36 0.00 0.00 175.35 176.68 1p8k s VAL 191 N 2.80 2.73 -0.22 4.02 1.01 -1.26 -4.88 120.40 124.60 1p8k s VAL 191 Ca 0.37 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 1p8k s VAL 191 Cb -0.15 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1p8k s VAL 191 CO 0.08 0.01 0.10 -0.47 0.00 0.00 0.00 175.10 174.82 1p8k s TYR 192 N 2.06 3.23 -0.28 5.22 5.04 -0.51 -4.90 117.35 127.21 1p8k s TYR 192 Ca 0.74 0.01 -0.19 0.00 -2.44 0.00 0.00 57.07 55.19 1p8k s TYR 192 Cb -0.43 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 39.68 1p8k s TYR 192 CO 0.33 0.00 0.57 -0.51 -1.34 0.00 0.00 175.55 174.59 1p8k s LEU 193 N 0.90 4.10 0.00 6.97 1.43 -1.26 -0.46 118.68 130.35 1p8k s LEU 193 Ca 0.05 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1p8k s LEU 193 Cb -0.13 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1p8k s LEU 193 CO 0.03 -0.37 0.00 -0.90 0.23 0.00 0.00 176.35 175.34 1p8k n ASP 194 N 5.67 0.00 -0.20 2.29 5.75 -0.72 -4.94 116.55 124.40 1p8k n ASP 194 Ca -0.03 -0.32 0.11 0.00 -0.01 0.00 0.00 54.79 54.55 1p8k n ASP 194 Cb 0.49 0.00 0.41 0.00 -1.03 0.00 0.00 41.12 41.00 1p8k n ASP 194 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1p8k h LYS 195 N 0.00 0.60 0.00 0.11 1.63 -1.97 -3.41 116.57 113.52 1p8k h LYS 195 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1p8k h LYS 195 Cb 0.00 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 1p8k h LYS 195 CO 0.00 0.39 0.00 2.41 -3.45 0.00 0.00 179.45 178.80 1p8k n THR 196 N -4.51 0.00 -1.32 1.00 -1.04 -1.26 -4.96 114.28 102.19 1p8k n THR 196 Ca 0.14 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.88 1p8k n THR 196 Cb 0.41 -1.41 0.13 0.00 -1.82 0.00 0.00 70.33 67.64 1p8k n THR 196 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1p8k n ASN 197 N -0.01 5.36 -4.56 8.00 2.85 -1.26 -4.95 115.26 120.68 1p8k n ASN 197 Ca 0.00 -3.70 -0.42 0.00 -0.11 0.00 0.00 54.58 50.34 1p8k n ASN 197 Cb 0.00 -0.86 -0.06 0.00 1.24 0.00 0.00 39.78 40.10 1p8k n ASN 197 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1p8k s SER 199 N 1.90 6.81 -0.16 0.00 0.01 -0.10 -1.76 113.70 120.40 1p8k s SER 199 Ca 0.28 0.87 -0.05 0.00 1.31 0.00 0.00 55.95 58.36 1p8k s SER 199 Cb -0.14 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1p8k s SER 199 CO 0.17 -0.77 -0.00 -0.54 0.41 0.00 0.00 173.24 172.52 1p8k s LYS 200 N 3.35 3.77 -0.04 12.44 1.02 0.39 -1.12 119.74 139.54 1p8k s LYS 200 Ca 0.40 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 55.98 1p8k s LYS 200 Cb -0.13 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.14 1p8k s LYS 200 CO 0.14 0.27 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.48 1p8k s LEU 201 N 0.33 2.47 -0.14 3.17 2.96 0.38 -1.42 118.68 126.44 1p8k s LEU 201 Ca -0.01 -0.31 -0.18 0.00 -0.22 0.00 0.00 54.13 53.41 1p8k s LEU 201 Cb -0.13 -1.48 0.05 0.00 0.50 0.00 0.00 46.19 45.13 1p8k s LEU 201 CO 0.02 0.32 0.48 -0.75 -1.32 0.00 0.00 176.35 175.10 1p8k s LYS 202 N -0.61 0.64 0.08 1.98 2.20 -1.26 -0.73 119.74 122.04 1p8k s LYS 202 Ca 0.09 0.47 0.02 0.00 -0.36 0.00 0.00 55.97 56.18 1p8k s LYS 202 Cb -0.11 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 1p8k s LYS 202 CO 0.00 -0.12 -0.07 0.14 -0.36 0.00 0.00 175.35 174.95 1p8k s VAL 203 N -0.20 0.61 0.00 4.02 -7.23 -0.67 -4.74 120.40 112.18 1p8k s VAL 203 Ca -0.04 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1p8k s VAL 203 Cb -0.03 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.56 1p8k s VAL 203 CO 0.02 -0.74 0.00 0.41 -0.31 0.00 0.00 175.10 174.49 1p8k n THR 204 N 0.42 0.00 -1.19 5.32 -1.04 -1.26 -2.73 114.28 113.79 1p8k n THR 204 Ca -0.15 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.51 1p8k n THR 204 Cb 0.59 -0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.20 1p8k n THR 204 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1p8k n SER 205 N -0.24 -0.19 0.02 8.00 3.41 -1.26 -4.80 113.62 118.57 1p8k n SER 205 Ca 0.00 0.58 -0.02 0.00 -0.26 0.00 0.00 58.87 59.18 1p8k n SER 205 Cb 0.01 -1.35 0.25 0.00 -0.26 0.00 0.00 64.21 62.86 1p8k n SER 205 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1p8k h VAL 206 N -0.62 1.24 -0.04 -3.33 2.07 -1.97 -1.87 116.25 111.73 1p8k h VAL 206 Ca -0.46 -1.06 -0.24 0.00 0.82 0.00 0.00 66.70 65.75 1p8k h VAL 206 Cb 1.32 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1p8k h VAL 206 CO 0.44 0.34 -0.95 -0.09 0.02 0.00 0.00 177.57 177.33 1p8k h ARG 207 N 0.43 0.65 0.32 1.57 2.43 -1.97 -2.21 114.38 115.59 1p8k h ARG 207 Ca 0.08 -0.64 -0.02 0.00 -0.81 0.00 0.00 59.98 58.59 1p8k h ARG 207 Cb 0.53 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1p8k h ARG 207 CO 0.03 1.25 -0.15 0.77 -1.51 0.00 0.00 179.97 180.36 1p8k h SER 208 N 0.39 -0.36 -0.42 -3.80 0.02 -1.88 -1.48 113.55 106.01 1p8k h SER 208 Ca -0.10 -0.06 0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1p8k h SER 208 Cb 1.59 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 64.15 1p8k h SER 208 CO 0.18 -0.17 -0.03 0.58 -1.14 0.00 0.00 176.83 176.25 1p8k h VAL 209 N -0.53 0.64 -0.94 2.27 2.07 -1.42 0.51 116.25 118.84 1p8k h VAL 209 Ca -0.04 -0.03 0.25 0.00 0.82 0.00 0.00 66.70 67.70 1p8k h VAL 209 Cb 0.40 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1p8k h VAL 209 CO 0.07 0.01 0.65 -0.08 0.02 0.00 0.00 177.57 178.24 1p8k h GLU 210 N 0.07 0.18 -0.06 1.57 4.81 -1.09 -2.35 114.58 117.71 1p8k h GLU 210 Ca 0.21 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 1p8k h GLU 210 Cb 0.31 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.66 1p8k h GLU 210 CO -0.38 0.12 -0.69 -0.91 -0.73 0.00 0.00 179.01 176.42 1p8k h ASN 211 N 0.19 0.71 -0.18 1.04 -0.26 0.11 -2.81 115.58 114.38 1p8k h ASN 211 Ca 0.47 -0.69 -0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1p8k h ASN 211 Cb 1.54 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.58 1p8k h ASN 211 CO -0.10 1.30 0.10 0.40 -1.06 0.00 0.00 177.43 178.07 1p8k h ILE 212 N 0.18 1.10 -0.78 2.81 1.08 -1.03 -0.38 117.51 120.49 1p8k h ILE 212 Ca -0.07 -0.26 0.18 0.00 -0.39 0.00 0.00 64.86 64.33 1p8k h ILE 212 Cb 1.36 0.94 -0.12 0.00 -3.07 0.00 0.00 36.82 35.92 1p8k h ILE 212 CO 0.14 0.09 0.14 0.40 -0.69 0.00 0.00 178.15 178.23 1p8k h ILE 213 N 0.19 0.41 -0.31 -0.67 2.04 -1.59 0.22 117.51 117.80 1p8k h ILE 213 Ca 0.06 -0.07 -0.16 0.00 1.00 0.00 0.00 64.86 65.69 1p8k h ILE 213 Cb 0.06 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1p8k h ILE 213 CO -0.01 0.04 -0.43 0.11 0.00 0.00 0.00 178.15 177.86 1p8k h LYS 214 N 0.20 0.84 -0.50 2.37 1.57 -1.18 0.94 116.57 120.81 1p8k h LYS 214 Ca 0.45 -0.49 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1p8k h LYS 214 Cb 0.82 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 1p8k h LYS 214 CO -0.60 1.12 0.27 0.35 -0.57 0.00 0.00 179.45 180.03 1p8k h PHE 215 N 0.61 0.51 -0.27 -1.35 3.57 0.77 -0.44 116.94 120.35 1p8k h PHE 215 Ca 0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1p8k h PHE 215 Cb 1.02 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1p8k h PHE 215 CO 0.07 0.27 0.04 -0.07 -2.23 0.00 0.00 178.31 176.40 1p8k h LEU 216 N 0.54 0.42 -1.46 0.59 3.38 -0.57 0.16 115.31 118.38 1p8k h LEU 216 Ca 0.21 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1p8k h LEU 216 Cb 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1p8k h LEU 216 CO -0.12 0.58 0.06 1.56 0.09 0.00 0.00 178.44 180.60 1p8k h GLN 217 N 0.26 0.41 -0.40 1.13 1.08 -0.60 -2.81 115.11 114.17 1p8k h GLN 217 Ca 0.08 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.10 1p8k h GLN 217 Cb 0.33 -0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.62 1p8k h GLN 217 CO 0.01 0.40 0.05 0.09 -0.95 0.00 0.00 178.83 178.42 1p8k n ASN 218 N -4.36 3.56 -4.84 1.46 5.03 -0.19 -4.99 115.26 110.92 1p8k n ASN 218 Ca 0.01 -3.34 -0.35 0.00 0.87 0.00 0.00 54.58 51.77 1p8k n ASN 218 Cb 0.18 -0.62 -0.06 0.00 -1.02 0.00 0.00 39.78 38.26 1p8k n ASN 218 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1p8k s ALA 219 N -3.02 3.55 0.53 5.41 0.00 0.53 -4.97 121.76 123.80 1p8k s ALA 219 Ca 0.46 -0.10 0.30 0.00 0.00 0.00 0.00 51.96 52.61 1p8k s ALA 219 Cb 0.39 -2.56 1.45 0.00 0.00 0.00 0.00 23.12 22.40 1p8k s ALA 219 CO 0.07 0.44 1.91 -1.00 0.00 0.00 0.00 175.76 177.18 1p8k h PRO 220 N 3.45 0.01 0.00 0.00 0.13 -1.88 -3.43 132.00 130.28 1p8k h PRO 220 Ca -0.48 -0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.28 1p8k h PRO 220 Cb 1.19 -0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1p8k h PRO 220 CO 0.66 0.01 -0.32 1.33 -0.23 0.00 0.00 178.00 179.45 1p8k n VAL 221 N -4.30 0.00 -4.22 1.56 0.24 -1.26 -5.02 118.33 105.32 1p8k n VAL 221 Ca 0.17 -1.62 -0.18 0.00 -2.04 0.00 0.00 64.34 60.66 1p8k n VAL 221 Cb 0.88 0.62 -0.13 0.00 -1.47 0.00 0.00 33.84 33.75 1p8k n VAL 221 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1p8k s LYS 222 N -3.04 0.79 0.18 7.34 1.02 -1.26 -5.03 119.74 119.75 1p8k s LYS 222 Ca 0.16 -0.79 -0.31 0.00 0.02 0.00 0.00 55.97 55.06 1p8k s LYS 222 Cb 0.01 -0.75 -0.09 0.00 -0.52 0.00 0.00 37.83 36.48 1p8k s LYS 222 CO 0.11 0.17 1.40 -0.51 -0.92 0.00 0.00 175.35 175.61 1p8k s LEU 223 N -1.36 4.39 0.00 3.17 1.43 -1.26 -4.92 118.68 120.13 1p8k s LEU 223 Ca -0.02 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1p8k s LEU 223 Cb -0.09 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1p8k s LEU 223 CO 0.01 -0.64 0.47 0.00 0.23 0.00 0.00 176.35 176.42 1p8k n LEU 224 N 3.12 0.61 0.00 1.79 -0.00 -1.26 -4.84 117.00 116.42 1p8k n LEU 224 Ca 0.09 -0.61 0.00 0.00 -0.00 0.00 0.00 56.01 55.49 1p8k n LEU 224 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1p8k n LEU 224 CO 0.59 0.15 0.00 0.61 -0.00 0.00 0.00 177.39 178.74 1p8k n GLY 225 N -0.11 3.41 0.31 1.47 0.00 -1.26 -4.79 105.19 104.23 1p8k n GLY 225 Ca 0.00 -1.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 1p8k n GLY 225 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1p8k h ASN 226 N 0.00 0.95 -0.44 1.61 -1.24 -1.94 -1.14 115.58 113.38 1p8k h ASN 226 Ca 0.00 -0.08 0.11 0.00 0.71 0.00 0.00 56.30 57.04 1p8k h ASN 226 Cb 0.00 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.79 1p8k h ASN 226 CO 0.00 0.76 0.31 0.50 -1.29 0.00 0.00 177.43 177.71 1p8k h LYS 227 N 1.07 0.07 -0.21 6.67 1.63 -1.95 0.25 116.57 124.10 1p8k h LYS 227 Ca 0.27 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 1p8k h LYS 227 Cb 0.00 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1p8k h LYS 227 CO -0.05 0.05 0.10 -0.22 -3.45 0.00 0.00 179.45 175.88 1p8k h LYS 228 N 0.07 0.31 -0.64 1.90 1.63 -1.53 -0.44 116.57 117.86 1p8k h LYS 228 Ca 0.21 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 1p8k h LYS 228 Cb 0.73 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 1p8k h LYS 228 CO -0.02 0.33 0.12 1.25 -3.45 0.00 0.00 179.45 177.68 1p8k h LEU 229 N 0.20 0.98 -1.26 5.20 5.85 -0.44 -1.22 115.31 124.63 1p8k h LEU 229 Ca 0.07 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1p8k h LEU 229 Cb 0.13 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1p8k h LEU 229 CO -0.01 0.97 0.51 1.56 -0.34 0.00 0.00 178.44 181.14 1p8k h GLN 230 N 0.98 0.96 -0.18 1.25 4.20 -0.50 -1.48 115.11 120.33 1p8k h GLN 230 Ca 0.20 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.67 1p8k h GLN 230 Cb 0.40 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1p8k h GLN 230 CO 0.01 0.64 -0.58 -0.92 -0.67 0.00 0.00 178.83 177.31 1p8k h TYR 231 N 0.99 0.94 -0.83 2.96 3.20 -0.53 -2.44 116.97 121.25 1p8k h TYR 231 Ca 0.30 -0.38 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 1p8k h TYR 231 Cb -0.02 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 1p8k h TYR 231 CO -0.00 1.18 0.40 -0.07 -1.64 0.00 0.00 178.16 178.03 1p8k h LEU 232 N 0.42 1.09 -1.12 2.82 3.38 -0.64 0.15 115.31 121.41 1p8k h LEU 232 Ca -0.02 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1p8k h LEU 232 Cb 1.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1p8k h LEU 232 CO 0.12 0.92 -0.38 -0.07 0.09 0.00 0.00 178.44 179.13 1p8k h LEU 233 N 1.18 0.12 0.23 1.67 3.38 -1.30 -1.90 115.31 118.69 1p8k h LEU 233 Ca 0.28 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1p8k h LEU 233 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1p8k h LEU 233 CO -0.04 0.49 -0.11 -0.25 0.09 0.00 0.00 178.44 178.63 1p8k h TRP 234 N 0.10 -0.28 -0.50 1.13 7.01 -0.85 -2.44 115.95 120.12 1p8k h TRP 234 Ca 0.01 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.05 1p8k h TRP 234 Cb 0.72 0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 27.81 1p8k h TRP 234 CO 0.01 -0.18 -0.27 1.28 -2.79 0.00 0.00 178.44 176.49 1p8k n LEU 235 N -2.94 -0.49 -0.07 0.65 4.32 0.45 0.20 117.00 119.12 1p8k n LEU 235 Ca -0.04 0.88 -0.14 0.00 -0.02 0.00 0.00 56.01 56.69 1p8k n LEU 235 Cb 0.12 -0.13 -0.10 0.00 -1.62 0.00 0.00 43.42 41.69 1p8k n LEU 235 CO 0.09 -0.73 0.51 0.50 -1.22 0.00 0.00 177.39 176.54 1p8k h LYS 236 N 0.00 -0.47 0.00 3.23 3.64 -1.20 0.40 116.57 122.17 1p8k h LYS 236 Ca 0.10 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1p8k h LYS 236 Cb 0.22 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1p8k h LYS 236 CO -0.47 -0.31 0.00 1.96 -2.27 0.00 0.00 179.45 178.35 1p8k h GLN 237 N -0.49 0.00 0.00 1.90 4.20 0.25 0.13 115.11 121.11 1p8k h GLN 237 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1p8k h GLN 237 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1p8k h GLN 237 CO -0.52 0.00 0.00 -0.11 -0.67 0.00 0.00 178.83 177.53 1p8k n LEU 238 N -2.60 0.59 0.02 1.46 7.94 0.14 -2.54 117.00 122.01 1p8k n LEU 238 Ca -0.02 0.62 -0.06 0.00 -1.11 0.00 0.00 56.01 55.45 1p8k n LEU 238 Cb 0.08 -0.52 -0.11 0.00 0.53 0.00 0.00 43.42 43.40 1p8k n LEU 238 CO 0.15 -0.44 -0.23 0.03 -1.11 0.00 0.00 177.39 175.79 1p8k h ARG 239 N 0.00 0.00 -0.00 1.96 -0.00 -0.58 -3.28 114.38 112.48 1p8k h ARG 239 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1p8k h ARG 239 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.39 1p8k h ARG 239 CO 0.00 0.58 -0.03 1.63 0.00 0.00 0.00 179.97 182.15 1p8k n LYS 240 N -3.11 0.24 -3.44 0.04 4.76 -1.05 -4.49 118.16 111.12 1p8k n LYS 240 Ca -0.10 -0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 54.89 1p8k n LYS 240 Cb 0.96 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.57 1p8k n LYS 240 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1p8k s ILE 241 N -2.77 4.94 0.07 -0.18 1.01 -1.13 -5.00 121.20 118.15 1p8k s ILE 241 Ca 0.21 -1.24 -0.22 0.00 0.00 0.00 0.00 60.65 59.41 1p8k s ILE 241 Cb 0.20 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 1p8k s ILE 241 CO 0.50 -0.61 1.35 0.77 0.00 0.00 0.00 174.94 176.95 1p8k h SER 242 N 8.68 -1.06 -1.24 3.58 4.64 -1.85 -1.67 113.55 124.63 1p8k h SER 242 Ca -0.27 0.12 0.44 0.00 -0.47 0.00 0.00 61.79 61.61 1p8k h SER 242 Cb 1.10 0.40 -0.13 0.00 -0.31 0.00 0.00 62.40 63.46 1p8k h SER 242 CO 0.87 -0.33 0.79 -2.11 -0.87 0.00 0.00 176.83 175.18 1p8k n ARG 243 N -4.37 -0.04 -0.07 4.77 1.85 -1.26 0.58 116.66 118.12 1p8k n ARG 243 Ca -0.05 1.17 -0.14 0.00 -1.00 0.00 0.00 57.85 57.84 1p8k n ARG 243 Cb 0.25 -2.29 -0.12 0.00 -1.05 0.00 0.00 32.46 29.25 1p8k n ARG 243 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 1p8k h TYR 244 N 0.00 0.00 -0.06 2.89 0.05 -1.74 -3.35 116.97 114.76 1p8k h TYR 244 Ca 0.81 0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.62 1p8k h TYR 244 Cb 2.57 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 40.27 1p8k h TYR 244 CO -0.01 0.96 -0.16 0.77 -1.05 0.00 0.00 178.16 178.67 1p8k h SER 245 N -1.00 -0.48 0.00 3.88 0.02 0.11 0.40 113.55 116.48 1p8k h SER 245 Ca -0.02 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1p8k h SER 245 Cb 0.95 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1p8k h SER 245 CO -0.01 -0.21 0.00 -1.84 -1.14 0.00 0.00 176.83 173.62 1p8k n GLU 246 N -5.30 0.49 0.00 3.45 0.28 -0.33 -3.26 120.64 115.97 1p8k n GLU 246 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1p8k n GLU 246 Cb 0.21 -1.22 0.00 0.00 1.43 0.00 0.00 31.44 31.86 1p8k n GLU 246 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1p8k n LYS 247 N -0.72 1.36 -3.66 3.44 3.00 0.13 -5.08 118.16 116.62 1p8k n LYS 247 Ca 0.05 -0.97 -0.07 0.00 -0.00 0.00 0.00 58.31 57.32 1p8k n LYS 247 Cb 0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 35.03 34.19 1p8k n LYS 247 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1p8k s ILE 248 N -0.51 0.00 0.37 3.15 1.01 -0.78 -5.02 121.20 119.42 1p8k s ILE 248 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.24 1p8k s ILE 248 Cb 0.00 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1p8k s ILE 248 CO 0.00 0.00 0.47 -0.54 0.00 0.00 0.00 174.94 174.87 1p8k s LYS 249 N -3.51 2.93 0.48 2.79 1.02 -1.26 -4.82 119.74 117.37 1p8k s LYS 249 Ca 0.08 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1p8k s LYS 249 Cb -0.02 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1p8k s LYS 249 CO -0.02 -0.06 0.00 -0.89 -0.92 0.00 0.00 175.35 173.46 1p8k n ILE 250 N -1.67 0.00 -3.74 2.17 -0.00 -1.26 -5.03 119.36 109.83 1p8k n ILE 250 Ca 0.03 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.40 1p8k n ILE 250 Cb 0.59 -0.01 -0.12 0.00 -0.00 0.00 0.00 39.64 40.09 1p8k n ILE 250 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1p8k s PRO 251 N -2.00 3.10 0.00 0.38 0.04 -1.26 -4.69 135.00 130.57 1p8k s PRO 251 Ca 0.00 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.18 1p8k s PRO 251 Cb 0.00 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1p8k s PRO 251 CO 0.00 -0.45 0.00 0.43 0.04 0.00 0.00 177.00 177.02 1p8k n SER 252 N 4.88 0.00 0.00 6.66 7.64 -1.26 -5.18 113.62 126.37 1p8k n SER 252 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1p8k n SER 252 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1p8k n SER 252 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p8k n ASN 253 N -0.74 0.00 0.00 6.43 3.02 -1.26 -5.24 115.26 117.46 1p8k n ASN 253 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1p8k n ASN 253 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1p8k n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64