#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2k s LEU 2 N 0.00 4.39 0.81 7.52 1.02 -1.26 -5.09 118.68 126.07 1l2k s LEU 2 Ca 0.00 1.02 -0.12 0.00 0.02 0.00 0.00 54.13 55.05 1l2k s LEU 2 Cb 0.00 -3.05 0.08 0.00 0.02 0.00 0.00 46.19 43.24 1l2k s LEU 2 CO 0.00 0.17 1.16 -0.94 0.02 0.00 0.00 176.35 176.77 1l2k s SER 3 N -1.55 4.50 0.29 2.29 1.04 -1.26 -4.87 113.70 114.14 1l2k s SER 3 Ca 0.33 0.87 -0.02 0.00 0.48 0.00 0.00 55.95 57.61 1l2k s SER 3 Cb -0.16 -1.42 0.42 0.00 0.10 0.00 0.00 66.02 64.97 1l2k s SER 3 CO 0.18 -1.92 1.92 -0.33 0.98 0.00 0.00 173.24 174.07 1l2k h GLU 4 N -1.06 1.02 -0.70 4.02 4.39 -1.99 -1.72 114.58 118.54 1l2k h GLU 4 Ca -0.46 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.09 1l2k h GLU 4 Cb 1.32 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 1l2k h GLU 4 CO 0.65 0.74 0.28 0.78 -1.16 0.00 0.00 179.01 180.29 1l2k h GLY 5 N 1.06 1.11 1.07 -3.84 0.00 -1.99 -0.84 103.07 99.64 1l2k h GLY 5 Ca 0.26 -0.58 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 1l2k h GLY 5 CO -0.04 0.55 -0.51 0.83 0.00 0.00 0.00 176.54 177.37 1l2k h GLU 6 N 1.01 0.78 -0.52 4.80 5.08 -1.81 -2.60 114.58 121.32 1l2k h GLU 6 Ca 0.24 -0.51 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1l2k h GLU 6 Cb 0.20 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1l2k h GLU 6 CO -0.02 1.14 0.14 -1.49 -1.00 0.00 0.00 179.01 177.77 1l2k h TRP 7 N 0.52 0.80 -0.40 4.33 -0.00 -1.14 -2.14 115.95 117.93 1l2k h TRP 7 Ca 0.01 -0.07 -0.07 0.00 -0.00 0.00 0.00 58.89 58.76 1l2k h TRP 7 Cb 1.12 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 30.02 1l2k h TRP 7 CO 0.08 0.67 -0.04 0.37 -0.00 0.00 0.00 178.44 179.52 1l2k h GLN 8 N 0.76 0.65 -0.24 0.49 4.15 -1.00 0.09 115.11 120.01 1l2k h GLN 8 Ca 0.17 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1l2k h GLN 8 Cb 0.26 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1l2k h GLN 8 CO -0.00 0.70 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.51 1l2k h LEU 9 N 0.61 0.43 -0.48 -2.39 3.38 -1.07 -1.70 115.31 114.09 1l2k h LEU 9 Ca 0.12 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1l2k h LEU 9 Cb 0.44 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1l2k h LEU 9 CO 0.02 0.65 0.28 0.58 0.09 0.00 0.00 178.44 180.06 1l2k h VAL 10 N 0.20 1.15 0.00 1.22 2.07 -1.05 -2.65 116.25 117.20 1l2k h VAL 10 Ca 0.07 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1l2k h VAL 10 Cb 0.43 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1l2k h VAL 10 CO 0.01 0.16 -0.27 -0.07 0.02 0.00 0.00 177.57 177.42 1l2k h LEU 11 N 0.64 0.00 -0.23 2.57 3.38 -0.98 -1.83 115.31 118.86 1l2k h LEU 11 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1l2k h LEU 11 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1l2k h LEU 11 CO -0.03 0.27 -0.43 -0.74 0.09 0.00 0.00 178.44 177.60 1l2k h HIS 12 N 0.00 0.88 0.00 1.13 2.76 -1.12 -2.06 115.15 116.74 1l2k h HIS 12 Ca -0.00 -0.31 -0.14 0.00 -2.20 0.00 0.00 60.37 57.71 1l2k h HIS 12 Cb 1.08 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 1l2k h HIS 12 CO 0.00 1.09 -0.69 -0.24 -1.30 0.00 0.00 177.93 176.79 1l2k h VAL 13 N 0.41 1.34 -0.15 5.26 3.04 -1.46 -3.16 116.25 121.53 1l2k h VAL 13 Ca 0.01 -2.48 -0.11 0.00 -1.01 0.00 0.00 66.70 63.11 1l2k h VAL 13 Cb 1.03 2.39 -0.01 0.00 -2.01 0.00 0.00 31.29 32.69 1l2k h VAL 13 CO 0.10 0.67 -0.40 -0.25 -1.01 0.00 0.00 177.57 176.68 1l2k h TRP 14 N 0.00 0.41 -0.56 3.17 2.91 -1.25 -2.28 115.95 118.35 1l2k h TRP 14 Ca -0.01 -0.11 0.02 0.00 1.13 0.00 0.00 58.89 59.92 1l2k h TRP 14 Cb 1.34 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.87 1l2k h TRP 14 CO 0.00 0.70 0.37 0.00 -1.03 0.00 0.00 178.44 178.48 1l2k h ALA 15 N 1.29 1.67 -0.45 2.65 0.00 -1.33 -1.35 119.26 121.74 1l2k h ALA 15 Ca 0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1l2k h ALA 15 Cb 0.83 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1l2k h ALA 15 CO 0.07 0.29 -0.27 0.87 0.00 0.00 0.00 179.25 180.20 1l2k h LYS 16 N 0.70 0.98 -0.74 0.00 1.79 -1.47 -3.03 116.57 114.79 1l2k h LYS 16 Ca 0.22 -0.45 -0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1l2k h LYS 16 Cb 0.02 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 1l2k h LYS 16 CO -0.05 1.12 0.45 0.28 -1.08 0.00 0.00 179.45 180.16 1l2k h VAL 17 N 0.83 1.21 0.00 0.50 2.07 -0.88 -2.00 116.25 117.97 1l2k h VAL 17 Ca 0.09 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1l2k h VAL 17 Cb 0.86 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1l2k h VAL 17 CO 0.08 0.21 0.00 -0.62 0.02 0.00 0.00 177.57 177.26 1l2k n GLU 18 N -4.39 0.10 0.25 1.57 1.02 -0.63 -1.79 120.64 116.77 1l2k n GLU 18 Ca 0.08 0.39 0.15 0.00 -0.02 0.00 0.00 57.16 57.75 1l2k n GLU 18 Cb 0.06 -1.70 0.54 0.00 -0.02 0.00 0.00 31.44 30.32 1l2k n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l2k h ALA 19 N 2.30 1.00 -0.82 0.62 0.00 -1.39 -3.35 119.26 117.62 1l2k h ALA 19 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1l2k h ALA 19 Cb 0.25 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.81 1l2k h ALA 19 CO 0.00 0.07 -0.66 -3.47 0.00 0.00 0.00 179.25 175.19 1l2k n ASP 20 N -3.16 -2.19 -0.24 0.00 4.64 -0.74 -5.01 116.55 109.85 1l2k n ASP 20 Ca 0.01 -3.02 -0.07 0.00 -1.38 0.00 0.00 54.79 50.33 1l2k n ASP 20 Cb 0.38 1.11 0.04 0.00 -1.04 0.00 0.00 41.12 41.61 1l2k n ASP 20 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1l2k h VAL 21 N 3.35 1.25 -0.55 5.18 2.07 -1.67 -2.72 116.25 123.17 1l2k h VAL 21 Ca -0.03 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1l2k h VAL 21 Cb 1.01 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1l2k h VAL 21 CO 0.29 0.34 0.17 0.00 0.02 0.00 0.00 177.57 178.40 1l2k h ALA 22 N 1.08 0.72 -0.51 1.67 0.00 -1.90 -0.49 119.26 119.83 1l2k h ALA 22 Ca 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1l2k h ALA 22 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1l2k h ALA 22 CO -0.00 0.38 0.07 0.78 0.00 0.00 0.00 179.25 180.48 1l2k h GLY 23 N 0.77 0.93 0.92 0.00 0.00 -1.93 -2.26 103.07 101.50 1l2k h GLY 23 Ca 0.18 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1l2k h GLY 23 CO -0.01 0.58 -0.02 0.45 0.00 0.00 0.00 176.54 177.55 1l2k h HIS 24 N 0.74 0.70 -0.66 5.60 3.86 -1.37 -2.59 115.15 121.43 1l2k h HIS 24 Ca 0.15 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1l2k h HIS 24 Cb 0.42 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 1l2k h HIS 24 CO 0.03 0.75 0.41 0.78 0.86 0.00 0.00 177.93 180.76 1l2k h GLY 25 N 0.44 0.95 0.93 2.45 0.00 -0.99 -1.21 103.07 105.65 1l2k h GLY 25 Ca 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1l2k h GLY 25 CO 0.02 0.26 0.09 -1.61 0.00 0.00 0.00 176.54 175.30 1l2k h GLN 26 N 0.80 0.62 -0.71 4.80 4.15 -1.36 -2.12 115.11 121.28 1l2k h GLN 26 Ca 0.27 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1l2k h GLN 26 Cb 0.02 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1l2k h GLN 26 CO -0.11 0.65 0.42 -0.44 -1.93 0.00 0.00 178.83 177.43 1l2k h ASP 27 N 0.48 0.87 -0.12 -0.69 5.19 -1.11 -1.77 116.42 119.27 1l2k h ASP 27 Ca 0.12 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 1l2k h ASP 27 Cb 0.31 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 1l2k h ASP 27 CO 0.00 0.68 0.02 0.40 -3.12 0.00 0.00 179.24 177.23 1l2k h ILE 28 N 0.97 1.21 -0.64 0.35 2.04 -1.12 -0.89 117.51 119.44 1l2k h ILE 28 Ca 0.25 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 1l2k h ILE 28 Cb -0.01 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1l2k h ILE 28 CO -0.05 0.20 0.11 -0.07 0.00 0.00 0.00 178.15 178.34 1l2k h LEU 29 N -0.02 0.99 -0.48 1.44 3.38 -1.30 -1.17 115.31 118.15 1l2k h LEU 29 Ca 0.04 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1l2k h LEU 29 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1l2k h LEU 29 CO 0.00 0.98 0.00 0.40 0.09 0.00 0.00 178.44 179.92 1l2k h ILE 30 N 0.98 1.26 -0.89 1.22 2.04 -1.28 -0.84 117.51 120.00 1l2k h ILE 30 Ca 0.20 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1l2k h ILE 30 Cb 0.41 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1l2k h ILE 30 CO 0.01 0.37 0.58 -0.09 0.00 0.00 0.00 178.15 179.02 1l2k h ARG 31 N 0.70 1.17 -0.38 2.37 9.65 -0.89 -0.46 114.38 126.53 1l2k h ARG 31 Ca 0.14 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.87 1l2k h ARG 31 Cb 0.50 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 1l2k h ARG 31 CO 0.02 0.78 -0.03 1.25 2.80 0.00 0.00 179.97 184.79 1l2k h LEU 32 N 1.21 0.69 -0.64 3.80 5.85 -0.93 -1.30 115.31 123.99 1l2k h LEU 32 Ca 0.32 -0.33 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1l2k h LEU 32 Cb -0.13 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 1l2k h LEU 32 CO -0.07 0.85 -0.42 -0.26 -0.34 0.00 0.00 178.44 178.20 1l2k h PHE 33 N 0.51 0.70 0.02 1.25 0.04 -0.85 -0.30 116.94 118.32 1l2k h PHE 33 Ca 0.10 -0.21 -0.24 0.00 2.80 0.00 0.00 57.97 60.43 1l2k h PHE 33 Cb 0.52 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.53 1l2k h PHE 33 CO 0.04 0.91 -1.00 0.87 -0.60 0.00 0.00 178.31 178.53 1l2k h LYS 34 N 0.48 0.43 0.04 1.51 1.79 -1.04 -3.02 116.57 116.76 1l2k h LYS 34 Ca 0.04 -0.49 -0.24 0.00 -2.18 0.00 0.00 60.65 57.78 1l2k h LYS 34 Cb 0.93 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 1l2k h LYS 34 CO 0.08 1.15 -1.13 0.77 -1.08 0.00 0.00 179.45 179.24 1l2k h SER 35 N 0.23 0.13 -2.55 0.86 0.02 -1.23 -3.40 113.55 107.61 1l2k h SER 35 Ca -0.10 -0.15 -0.60 0.00 -0.84 0.00 0.00 61.79 60.11 1l2k h SER 35 Cb 1.65 -0.04 -0.39 0.00 0.14 0.00 0.00 62.40 63.76 1l2k h SER 35 CO 0.18 1.12 -0.88 -1.00 -1.14 0.00 0.00 176.83 175.10 1l2k s HIS 36 N -2.68 1.63 0.58 3.45 3.76 -0.13 -5.00 115.29 116.90 1l2k s HIS 36 Ca -0.01 -2.53 0.29 0.00 -0.15 0.00 0.00 55.06 52.66 1l2k s HIS 36 Cb 0.09 -1.32 1.46 0.00 1.11 0.00 0.00 32.58 33.92 1l2k s HIS 36 CO 0.84 -0.77 1.88 -1.35 -0.85 0.00 0.00 174.74 174.49 1l2k h PRO 37 N 5.63 0.00 0.00 8.40 0.11 -1.74 -0.89 132.00 143.51 1l2k h PRO 37 Ca 0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1l2k h PRO 37 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1l2k h PRO 37 CO 0.45 0.00 -0.03 1.05 -0.21 0.00 0.00 178.00 179.25 1l2k h GLU 38 N 0.00 0.00 -0.01 1.05 9.09 -1.93 -2.48 114.58 120.30 1l2k h GLU 38 Ca 0.27 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.52 1l2k h GLU 38 Cb 1.33 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.42 1l2k h GLU 38 CO -0.00 0.03 -0.74 1.79 0.05 0.00 0.00 179.01 180.14 1l2k h THR 39 N 0.00 1.49 -0.17 -1.06 1.35 -1.49 -3.08 112.91 109.96 1l2k h THR 39 Ca -0.00 -2.43 -0.07 0.00 -0.55 0.00 0.00 66.41 63.36 1l2k h THR 39 Cb 0.36 2.31 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 1l2k h THR 39 CO 0.00 0.70 -0.19 0.25 -0.25 0.00 0.00 175.52 176.03 1l2k h LEU 40 N 0.06 0.28 -2.26 3.87 5.85 -1.59 -2.57 115.31 118.94 1l2k h LEU 40 Ca -0.02 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1l2k h LEU 40 Cb 1.31 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1l2k h LEU 40 CO 0.10 0.49 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.60 1l2k h GLU 41 N 0.26 0.00 0.00 1.25 4.57 -1.59 -1.51 114.58 117.57 1l2k h GLU 41 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1l2k h GLU 41 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1l2k h GLU 41 CO 0.03 0.02 0.00 0.87 -1.18 0.00 0.00 179.01 178.75 1l2k h LYS 42 N 0.00 0.00 -4.17 1.92 1.79 -1.57 -3.40 116.57 111.13 1l2k h LYS 42 Ca -0.00 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.72 1l2k h LYS 42 Cb 0.24 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 30.63 1l2k h LYS 42 CO 0.00 0.00 -0.29 -0.06 -1.08 0.00 0.00 179.45 178.03 1l2k s PHE 43 N -3.32 3.31 0.47 -1.35 0.08 -0.57 -4.89 117.98 111.72 1l2k s PHE 43 Ca 0.06 -1.47 0.20 0.00 0.12 0.00 0.00 56.93 55.83 1l2k s PHE 43 Cb 0.08 -3.66 1.26 0.00 -0.57 0.00 0.00 43.02 40.14 1l2k s PHE 43 CO 0.58 -1.00 2.08 -0.44 -0.10 0.00 0.00 175.22 176.34 1l2k h ASP 44 N 8.73 0.00 0.61 1.36 3.45 -1.82 -1.02 116.42 127.72 1l2k h ASP 44 Ca -0.27 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.16 1l2k h ASP 44 Cb 1.09 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1l2k h ASP 44 CO 0.97 0.11 -0.16 -0.09 -1.57 0.00 0.00 179.24 178.50 1l2k h ARG 45 N 0.00 0.00 0.00 3.56 2.43 -1.93 -3.31 114.38 115.14 1l2k h ARG 45 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1l2k h ARG 45 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1l2k h ARG 45 CO 0.01 0.16 0.00 1.19 -1.51 0.00 0.00 179.97 179.83 1l2k n PHE 46 N -3.51 0.00 0.39 2.20 3.72 -0.79 -4.81 117.46 114.67 1l2k n PHE 46 Ca -0.01 -0.13 0.10 0.00 -0.05 0.00 0.00 57.45 57.36 1l2k n PHE 46 Cb 0.32 -0.01 0.45 0.00 -0.94 0.00 0.00 39.48 39.29 1l2k n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1l2k n LYS 47 N -0.13 0.14 0.17 -1.08 2.85 -0.46 -2.19 118.16 117.47 1l2k n LYS 47 Ca 0.00 0.40 0.13 0.00 -1.05 0.00 0.00 58.31 57.79 1l2k n LYS 47 Cb 0.20 -1.79 0.39 0.00 -0.65 0.00 0.00 35.03 33.18 1l2k n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1l2k h HIS 48 N 0.00 0.00 -3.06 5.58 2.07 -1.87 -3.44 115.15 114.42 1l2k h HIS 48 Ca 0.00 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.98 1l2k h HIS 48 Cb 0.30 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.28 1l2k h HIS 48 CO 0.00 0.00 0.70 -0.51 -3.07 0.00 0.00 177.93 175.05 1l2k s LEU 49 N -5.24 4.31 -0.11 6.12 1.43 -0.93 -4.91 118.68 119.35 1l2k s LEU 49 Ca 0.07 1.95 0.01 0.00 -1.03 0.00 0.00 54.13 55.13 1l2k s LEU 49 Cb 0.09 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 1l2k s LEU 49 CO 0.57 -0.59 -0.09 0.29 0.23 0.00 0.00 176.35 176.76 1l2k n LYS 50 N 4.91 0.31 -4.08 1.70 4.76 -1.26 -5.02 118.16 119.47 1l2k n LYS 50 Ca 0.11 0.06 -0.22 0.00 -2.87 0.00 0.00 58.31 55.39 1l2k n LYS 50 Cb 0.45 -1.21 -0.05 0.00 -1.84 0.00 0.00 35.03 32.38 1l2k n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1l2k s THR 51 N -2.21 3.51 0.26 -0.18 -4.23 -1.26 -5.02 115.64 106.51 1l2k s THR 51 Ca -0.14 -1.61 -0.03 0.00 -1.18 0.00 0.00 61.69 58.73 1l2k s THR 51 Cb 0.04 -3.08 0.14 0.00 1.34 0.00 0.00 72.50 70.94 1l2k s THR 51 CO 0.25 -0.25 1.80 -0.08 -0.54 0.00 0.00 174.62 175.79 1l2k h GLU 52 N 1.54 0.89 -0.44 3.99 4.81 -1.99 -1.85 114.58 121.53 1l2k h GLU 52 Ca -0.45 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 58.61 1l2k h GLU 52 Cb 1.25 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1l2k h GLU 52 CO 0.61 0.81 0.25 0.00 -0.73 0.00 0.00 179.01 179.94 1l2k h ALA 53 N 1.28 0.55 -0.84 2.92 0.00 -1.99 0.02 119.26 121.21 1l2k h ALA 53 Ca 0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1l2k h ALA 53 Cb 0.33 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1l2k h ALA 53 CO 0.00 -0.09 0.42 0.93 0.00 0.00 0.00 179.25 180.52 1l2k h GLU 54 N 0.49 1.20 -0.53 0.00 5.08 -1.85 -1.77 114.58 117.20 1l2k h GLU 54 Ca 0.18 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1l2k h GLU 54 Cb 0.04 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1l2k h GLU 54 CO -0.10 0.91 0.15 0.52 -1.00 0.00 0.00 179.01 179.49 1l2k h MET 55 N 1.19 0.83 0.00 2.33 2.86 -0.53 -2.54 114.93 119.07 1l2k h MET 55 Ca 0.29 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1l2k h MET 55 Cb 0.09 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1l2k h MET 55 CO -0.04 0.78 -0.32 0.87 1.06 0.00 0.00 176.91 179.26 1l2k h LYS 56 N 0.73 0.00 0.00 1.72 1.57 -0.79 -2.85 116.57 116.95 1l2k h LYS 56 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1l2k h LYS 56 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1l2k h LYS 56 CO -0.00 0.32 -0.15 0.00 -0.57 0.00 0.00 179.45 179.05 1l2k n ALA 57 N -2.38 2.53 -2.59 3.86 0.00 -0.69 -4.83 120.51 116.42 1l2k n ALA 57 Ca -0.01 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 1l2k n ALA 57 Cb 0.40 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 1l2k n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1l2k s SER 58 N -3.81 7.00 0.16 0.00 0.15 -0.99 -4.90 113.70 111.30 1l2k s SER 58 Ca 0.11 1.36 -0.02 0.00 0.70 0.00 0.00 55.95 58.10 1l2k s SER 58 Cb 0.15 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1l2k s SER 58 CO 0.61 -0.77 1.39 -0.08 1.20 0.00 0.00 173.24 175.59 1l2k h GLU 59 N 7.88 0.41 -0.19 5.44 4.57 -1.89 -2.93 114.58 127.86 1l2k h GLU 59 Ca -0.21 -0.37 -0.06 0.00 -1.18 0.00 0.00 59.36 57.53 1l2k h GLU 59 Cb 1.07 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1l2k h GLU 59 CO 0.99 1.02 -0.17 0.22 -1.18 0.00 0.00 179.01 179.90 1l2k h ASP 60 N 0.26 0.31 -0.33 1.04 -0.00 -1.97 -0.71 116.42 115.02 1l2k h ASP 60 Ca -0.05 -0.08 -0.16 0.00 -0.00 0.00 0.00 57.03 56.74 1l2k h ASP 60 Cb 1.40 -0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 40.65 1l2k h ASP 60 CO 0.14 0.50 -0.41 0.25 -0.00 0.00 0.00 179.24 179.72 1l2k h LEU 61 N 0.30 0.96 -0.91 2.28 5.85 -1.89 -2.34 115.31 119.56 1l2k h LEU 61 Ca 0.06 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 1l2k h LEU 61 Cb 0.47 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1l2k h LEU 61 CO 0.03 1.24 0.19 0.50 -0.34 0.00 0.00 178.44 180.05 1l2k h LYS 62 N 0.72 0.99 -0.36 1.25 3.64 -1.26 -1.09 116.57 120.46 1l2k h LYS 62 Ca 0.05 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1l2k h LYS 62 Cb 1.00 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1l2k h LYS 62 CO 0.10 0.86 0.13 0.87 -2.27 0.00 0.00 179.45 179.14 1l2k h LYS 63 N 0.95 0.55 -0.22 1.90 1.57 -0.96 -2.51 116.57 117.85 1l2k h LYS 63 Ca 0.21 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1l2k h LYS 63 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1l2k h LYS 63 CO -0.01 0.55 -0.24 1.25 -0.57 0.00 0.00 179.45 180.43 1l2k h HIS 64 N 0.44 0.46 -0.96 -1.35 2.76 -1.22 -2.43 115.15 112.85 1l2k h HIS 64 Ca 0.12 -0.09 0.07 0.00 -2.20 0.00 0.00 60.37 58.27 1l2k h HIS 64 Cb 0.21 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 28.99 1l2k h HIS 64 CO 0.00 0.63 0.62 0.78 -1.30 0.00 0.00 177.93 178.66 1l2k h GLY 65 N 1.00 1.43 0.87 5.26 0.00 -0.82 -1.05 103.07 109.76 1l2k h GLY 65 Ca 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1l2k h GLY 65 CO 0.04 0.30 -0.00 -2.08 0.00 0.00 0.00 176.54 174.80 1l2k h VAL 66 N 1.08 1.26 -0.71 4.60 2.07 -1.03 -2.49 116.25 121.03 1l2k h VAL 66 Ca 0.42 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 67.06 1l2k h VAL 66 Cb 0.22 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1l2k h VAL 66 CO -0.17 0.30 0.41 0.74 0.02 0.00 0.00 177.57 178.87 1l2k h THR 67 N 0.27 0.99 -0.07 2.57 2.02 -1.07 0.42 112.91 118.04 1l2k h THR 67 Ca 0.08 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1l2k h THR 67 Cb 0.43 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1l2k h THR 67 CO 0.01 0.14 0.02 0.58 0.37 0.00 0.00 175.52 176.64 1l2k h VAL 68 N 0.76 1.19 0.00 3.16 2.07 -1.14 -2.43 116.25 119.85 1l2k h VAL 68 Ca 0.31 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1l2k h VAL 68 Cb 0.17 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1l2k h VAL 68 CO -0.17 0.16 -0.47 -0.07 0.02 0.00 0.00 177.57 177.03 1l2k h LEU 69 N -0.10 0.00 -0.34 2.57 3.38 -1.21 -1.48 115.31 118.13 1l2k h LEU 69 Ca 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1l2k h LEU 69 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1l2k h LEU 69 CO -0.00 0.47 -0.41 0.74 0.09 0.00 0.00 178.44 179.33 1l2k h THR 70 N 0.00 1.28 -0.42 0.22 2.02 -0.88 -0.61 112.91 114.52 1l2k h THR 70 Ca -0.00 -1.59 -0.08 0.00 0.77 0.00 0.00 66.41 65.50 1l2k h THR 70 Cb 0.93 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1l2k h THR 70 CO 0.06 0.52 -0.06 0.00 0.37 0.00 0.00 175.52 176.41 1l2k h ALA 71 N 0.73 0.57 -0.62 6.16 0.00 -1.25 -2.38 119.26 122.47 1l2k h ALA 71 Ca 0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1l2k h ALA 71 Cb 1.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1l2k h ALA 71 CO 0.10 0.41 0.03 1.25 0.00 0.00 0.00 179.25 181.04 1l2k h LEU 72 N 0.60 1.05 -1.00 0.00 5.85 -1.25 -2.86 115.31 117.70 1l2k h LEU 72 Ca 0.11 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1l2k h LEU 72 Cb 0.57 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1l2k h LEU 72 CO 0.03 1.08 0.25 1.23 -0.34 0.00 0.00 178.44 180.70 1l2k h GLY 73 N 1.01 1.04 1.59 3.75 0.00 -0.98 -1.22 103.07 108.27 1l2k h GLY 73 Ca 0.18 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1l2k h GLY 73 CO 0.03 0.52 -0.09 0.00 0.00 0.00 0.00 176.54 177.00 1l2k h ALA 74 N 1.32 1.29 -0.11 3.60 0.00 -1.30 -1.91 119.26 122.15 1l2k h ALA 74 Ca 0.22 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1l2k h ALA 74 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1l2k h ALA 74 CO -0.02 0.47 -0.23 0.82 0.00 0.00 0.00 179.25 180.29 1l2k h ILE 75 N 0.46 1.39 -0.56 0.00 2.04 -1.22 -3.22 117.51 116.40 1l2k h ILE 75 Ca 0.09 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.39 1l2k h ILE 75 Cb 0.44 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1l2k h ILE 75 CO 0.02 0.44 0.19 -0.07 0.00 0.00 0.00 178.15 178.74 1l2k h LEU 76 N -0.09 0.75 -0.66 1.44 3.38 -1.05 -2.03 115.31 117.06 1l2k h LEU 76 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1l2k h LEU 76 Cb 0.83 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1l2k h LEU 76 CO 0.05 0.70 0.00 0.29 0.09 0.00 0.00 178.44 179.57 1l2k n LYS 77 N -4.31 0.16 0.00 1.13 5.02 -0.73 -1.49 118.16 117.93 1l2k n LYS 77 Ca 0.04 0.43 0.14 0.00 -2.02 0.00 0.00 58.31 56.89 1l2k n LYS 77 Cb 0.18 -1.82 0.53 0.00 -0.02 0.00 0.00 35.03 33.90 1l2k n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1l2k n LYS 78 N -2.11 0.04 -3.89 1.97 4.76 -0.76 -4.96 118.16 113.20 1l2k n LYS 78 Ca 0.02 -0.01 -0.31 0.00 -2.87 0.00 0.00 58.31 55.14 1l2k n LYS 78 Cb 0.19 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1l2k n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1l2k n LYS 79 N -1.47 -2.01 0.00 1.97 5.02 -0.56 -2.12 118.16 118.99 1l2k n LYS 79 Ca 0.07 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1l2k n LYS 79 Cb 0.33 -4.06 0.00 0.00 -0.02 0.00 0.00 35.03 31.28 1l2k n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l2k n GLY 80 N -1.93 3.07 2.75 0.72 0.00 -1.26 -4.94 105.19 103.60 1l2k n GLY 80 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1l2k n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1l2k n HIS 81 N -0.75 2.67 -1.12 1.61 8.25 -0.90 -4.68 115.22 120.31 1l2k n HIS 81 Ca 0.00 -2.73 0.08 0.00 -0.26 0.00 0.00 57.72 54.81 1l2k n HIS 81 Cb 0.00 -1.70 0.20 0.00 1.12 0.00 0.00 29.99 29.61 1l2k n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1l2k n HIS 82 N 2.32 0.48 -0.18 4.41 1.44 -1.26 -4.81 115.22 117.63 1l2k n HIS 82 Ca 0.44 -1.05 -0.03 0.00 -2.01 0.00 0.00 57.72 55.08 1l2k n HIS 82 Cb 0.31 -0.26 0.04 0.00 0.12 0.00 0.00 29.99 30.20 1l2k n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1l2k h GLU 83 N 0.88 -0.04 -0.13 -1.40 4.57 -1.99 0.14 114.58 116.62 1l2k h GLU 83 Ca 0.02 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1l2k h GLU 83 Cb 1.24 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1l2k h GLU 83 CO 0.13 -0.02 -0.14 0.00 -1.18 0.00 0.00 179.01 177.79 1l2k h ALA 84 N 1.45 1.53 0.00 2.92 0.00 -2.01 -1.73 119.26 121.42 1l2k h ALA 84 Ca 0.26 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1l2k h ALA 84 Cb 0.44 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1l2k h ALA 84 CO -0.58 0.34 -1.41 0.93 0.00 0.00 0.00 179.25 178.53 1l2k h GLU 85 N 0.19 0.00 0.01 0.00 3.07 -1.69 -3.39 114.58 112.77 1l2k h GLU 85 Ca 0.04 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.63 1l2k h GLU 85 Cb 0.37 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 1l2k h GLU 85 CO 0.02 0.45 -1.44 1.25 -1.40 0.00 0.00 179.01 177.89 1l2k h LEU 86 N 0.00 0.04 0.20 1.33 6.46 -0.60 -3.37 115.31 119.37 1l2k h LEU 86 Ca -0.18 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 1l2k h LEU 86 Cb 1.75 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.67 1l2k h LEU 86 CO 0.07 1.05 -0.10 0.50 -0.62 0.00 0.00 178.44 179.34 1l2k h LYS 87 N 0.01 -0.26 -0.17 1.25 3.64 -1.51 -1.56 116.57 117.97 1l2k h LYS 87 Ca -0.18 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1l2k h LYS 87 Cb 1.93 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.79 1l2k h LYS 87 CO 0.10 -0.17 -0.10 -1.00 -2.27 0.00 0.00 179.45 176.02 1l2k h PRO 88 N -0.27 0.26 -0.24 1.90 0.13 -1.78 -2.04 132.00 129.97 1l2k h PRO 88 Ca -0.03 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 1l2k h PRO 88 Cb 0.21 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1l2k h PRO 88 CO 0.04 0.37 0.00 1.25 -0.23 0.00 0.00 178.00 179.43 1l2k h LEU 89 N 0.25 0.41 -0.69 1.56 5.85 -1.66 -2.43 115.31 118.59 1l2k h LEU 89 Ca 0.05 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1l2k h LEU 89 Cb 0.33 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1l2k h LEU 89 CO 0.02 0.61 0.27 0.00 -0.34 0.00 0.00 178.44 179.00 1l2k h ALA 90 N 0.81 0.90 -0.42 1.25 0.00 -1.06 -1.47 119.26 119.27 1l2k h ALA 90 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1l2k h ALA 90 Cb 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1l2k h ALA 90 CO 0.01 0.52 0.20 1.96 0.00 0.00 0.00 179.25 181.94 1l2k h GLN 91 N 0.99 0.60 -0.25 0.00 4.20 -1.32 -1.22 115.11 118.11 1l2k h GLN 91 Ca 0.23 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 1l2k h GLN 91 Cb 0.22 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1l2k h GLN 91 CO -0.02 0.53 -0.51 0.66 -0.67 0.00 0.00 178.83 178.82 1l2k h SER 92 N 0.53 0.76 1.24 1.46 4.64 -1.33 -1.78 113.55 119.08 1l2k h SER 92 Ca 0.14 -0.39 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 1l2k h SER 92 Cb 0.13 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1l2k h SER 92 CO -0.02 1.13 -0.39 0.45 -0.87 0.00 0.00 176.83 177.14 1l2k h HIS 93 N 0.54 0.00 0.00 4.77 3.86 -1.14 -0.51 115.15 122.67 1l2k h HIS 93 Ca 0.02 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1l2k h HIS 93 Cb 1.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 1l2k h HIS 93 CO 0.05 0.39 -0.51 0.00 0.86 0.00 0.00 177.93 178.73 1l2k h ALA 94 N 1.61 0.10 0.00 2.45 0.00 -1.21 0.33 119.26 122.54 1l2k h ALA 94 Ca -0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 1l2k h ALA 94 Cb 1.11 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1l2k h ALA 94 CO 0.05 0.29 -1.40 0.25 0.00 0.00 0.00 179.25 178.44 1l2k n THR 95 N -4.55 0.93 -0.08 0.00 -2.24 -0.67 -3.61 114.28 104.06 1l2k n THR 95 Ca -0.18 -0.64 -0.15 0.00 -2.27 0.00 0.00 64.05 60.81 1l2k n THR 95 Cb 0.53 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 1l2k n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1l2k n LYS 96 N -2.77 0.41 0.16 -0.78 4.81 -0.46 -4.70 118.16 114.84 1l2k n LYS 96 Ca -0.08 0.17 0.08 0.00 -0.87 0.00 0.00 58.31 57.61 1l2k n LYS 96 Cb 0.75 -1.20 0.08 0.00 0.02 0.00 0.00 35.03 34.68 1l2k n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1l2k h HIS 97 N -0.73 0.00 -5.67 5.64 3.86 -1.31 -3.49 115.15 113.45 1l2k h HIS 97 Ca -0.29 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.61 1l2k h HIS 97 Cb 1.13 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.77 1l2k h HIS 97 CO -0.17 0.22 -0.87 1.63 0.86 0.00 0.00 177.93 179.59 1l2k n LYS 98 N -3.07 -2.56 -3.59 2.45 4.76 -0.76 -4.98 118.16 110.41 1l2k n LYS 98 Ca 0.02 0.76 -0.39 0.00 -2.87 0.00 0.00 58.31 55.83 1l2k n LYS 98 Cb 0.63 -5.43 -0.11 0.00 -1.84 0.00 0.00 35.03 28.28 1l2k n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1l2k s ILE 99 N -3.42 4.99 0.60 -0.18 -1.09 0.11 -5.01 121.20 117.20 1l2k s ILE 99 Ca 0.40 -0.28 -0.19 0.00 -2.23 0.00 0.00 60.65 58.36 1l2k s ILE 99 Cb -0.08 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1l2k s ILE 99 CO 0.77 0.04 1.22 -2.84 -1.23 0.00 0.00 174.94 172.90 1l2k s PRO 100 N 1.68 2.89 0.50 2.79 0.02 -1.26 -4.70 135.00 136.92 1l2k s PRO 100 Ca 0.06 1.86 0.19 0.00 0.02 0.00 0.00 61.00 63.13 1l2k s PRO 100 Cb -0.17 -1.91 1.25 0.00 0.02 0.00 0.00 34.50 33.68 1l2k s PRO 100 CO 0.09 -1.28 2.02 0.82 -0.33 0.00 0.00 177.00 178.32 1l2k h ILE 101 N 0.81 0.85 -0.23 2.83 1.08 -1.98 -1.54 117.51 119.33 1l2k h ILE 101 Ca -0.50 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 63.93 1l2k h ILE 101 Cb 1.30 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 1l2k h ILE 101 CO 0.55 0.03 0.15 0.50 -0.69 0.00 0.00 178.15 178.68 1l2k h LYS 102 N 0.14 0.27 0.00 2.37 1.63 -2.00 -0.17 116.57 118.80 1l2k h LYS 102 Ca 0.21 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 1l2k h LYS 102 Cb 0.64 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1l2k h LYS 102 CO -0.03 0.18 -0.08 1.88 -3.45 0.00 0.00 179.45 177.96 1l2k h TYR 103 N 0.28 0.00 0.00 1.91 0.99 -1.64 -1.84 116.97 116.68 1l2k h TYR 103 Ca 0.09 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.63 1l2k h TYR 103 Cb 0.01 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 37.71 1l2k h TYR 103 CO -0.00 0.08 -0.87 -0.07 -0.00 0.00 0.00 178.16 177.29 1l2k h LEU 104 N 0.00 0.00 -0.26 3.88 3.38 -1.09 -2.31 115.31 118.90 1l2k h LEU 104 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1l2k h LEU 104 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1l2k h LEU 104 CO 0.01 0.87 -0.14 -0.08 0.09 0.00 0.00 178.44 179.19 1l2k h GLU 105 N 0.00 0.56 -0.33 1.13 4.81 -1.08 -2.38 114.58 117.29 1l2k h GLU 105 Ca -0.01 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1l2k h GLU 105 Cb 1.61 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.94 1l2k h GLU 105 CO 0.11 0.82 0.12 0.74 -0.73 0.00 0.00 179.01 180.07 1l2k h PHE 106 N 0.29 0.21 0.00 0.92 0.05 -1.22 -2.14 116.94 115.05 1l2k h PHE 106 Ca 0.06 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.78 1l2k h PHE 106 Cb 0.66 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.55 1l2k h PHE 106 CO 0.06 0.09 -0.38 0.97 -0.18 0.00 0.00 178.31 178.87 1l2k h ILE 107 N 0.26 1.17 -0.61 -0.55 2.10 -1.42 -2.10 117.51 116.35 1l2k h ILE 107 Ca 0.15 -1.36 -0.06 0.00 1.08 0.00 0.00 64.86 64.67 1l2k h ILE 107 Cb 0.12 1.75 -0.03 0.00 -1.09 0.00 0.00 36.82 37.58 1l2k h ILE 107 CO -0.15 0.37 0.15 0.28 -1.08 0.00 0.00 178.15 177.72 1l2k h SER 108 N 0.00 0.90 -0.43 2.19 0.02 -0.93 -1.28 113.55 114.02 1l2k h SER 108 Ca -0.00 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 1l2k h SER 108 Cb 0.72 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1l2k h SER 108 CO 0.05 0.88 -0.08 -0.33 -1.14 0.00 0.00 176.83 176.21 1l2k h GLU 109 N 0.92 0.88 -0.52 3.45 4.39 -0.77 -2.38 114.58 120.56 1l2k h GLU 109 Ca 0.20 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 1l2k h GLU 109 Cb 0.33 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1l2k h GLU 109 CO 0.00 0.93 -0.02 0.00 -1.16 0.00 0.00 179.01 178.76 1l2k h ALA 110 N 1.11 0.70 -0.52 3.43 0.00 -1.03 -1.84 119.26 121.10 1l2k h ALA 110 Ca 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1l2k h ALA 110 Cb 0.59 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1l2k h ALA 110 CO 0.04 0.53 0.32 0.82 0.00 0.00 0.00 179.25 180.96 1l2k h ILE 111 N 0.79 1.16 -0.61 0.00 2.04 -1.06 -0.87 117.51 118.97 1l2k h ILE 111 Ca 0.14 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 1l2k h ILE 111 Cb 0.55 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1l2k h ILE 111 CO 0.03 0.16 0.05 0.40 0.00 0.00 0.00 178.15 178.80 1l2k h ILE 112 N 0.70 1.26 0.06 -0.67 2.04 -1.35 -1.44 117.51 118.12 1l2k h ILE 112 Ca 0.19 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1l2k h ILE 112 Cb -0.01 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1l2k h ILE 112 CO -0.04 0.39 -0.03 -0.74 0.00 0.00 0.00 178.15 177.74 1l2k h HIS 113 N 0.93 -0.07 -0.60 1.37 2.76 -1.04 -1.93 115.15 116.57 1l2k h HIS 113 Ca 0.18 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 1l2k h HIS 113 Cb 0.49 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1l2k h HIS 113 CO 0.04 0.01 0.15 0.28 -1.30 0.00 0.00 177.93 177.10 1l2k h VAL 114 N -0.13 1.24 -0.16 5.26 2.07 -1.09 -1.67 116.25 121.77 1l2k h VAL 114 Ca -0.01 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 1l2k h VAL 114 Cb 0.11 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1l2k h VAL 114 CO 0.01 0.33 -0.31 -0.07 0.02 0.00 0.00 177.57 177.55 1l2k h LEU 115 N 0.90 0.32 -0.39 2.57 4.07 -1.14 -1.32 115.31 120.33 1l2k h LEU 115 Ca 0.19 -0.11 -0.16 0.00 0.08 0.00 0.00 57.88 57.88 1l2k h LEU 115 Cb 0.32 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1l2k h LEU 115 CO -0.00 0.63 -0.39 -0.74 -1.08 0.00 0.00 178.44 176.86 1l2k h HIS 116 N 0.28 1.14 -0.14 1.13 -0.00 -0.91 -1.23 115.15 115.42 1l2k h HIS 116 Ca 0.04 -0.34 -0.11 0.00 -0.00 0.00 0.00 60.37 59.96 1l2k h HIS 116 Cb 0.69 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 1l2k h HIS 116 CO 0.02 1.18 -0.40 0.77 -0.00 0.00 0.00 177.93 179.49 1l2k h SER 117 N 0.77 0.32 0.24 3.26 0.02 -0.90 -3.21 113.55 114.05 1l2k h SER 117 Ca 0.06 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1l2k h SER 117 Cb 0.99 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 1l2k h SER 117 CO 0.10 0.69 -1.77 0.54 -1.14 0.00 0.00 176.83 175.25 1l2k n ARG 118 N -4.03 0.65 -3.18 3.45 1.74 -0.54 -4.70 116.66 110.05 1l2k n ARG 118 Ca -0.01 -0.12 -0.21 0.00 -0.77 0.00 0.00 57.85 56.74 1l2k n ARG 118 Cb 0.48 -1.60 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 1l2k n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1l2k n HIS 119 N -2.38 0.42 0.23 -1.55 8.25 -0.47 -4.95 115.22 114.78 1l2k n HIS 119 Ca -0.04 -3.76 0.11 0.00 -0.26 0.00 0.00 57.72 53.77 1l2k n HIS 119 Cb 0.58 -0.41 0.70 0.00 1.12 0.00 0.00 29.99 31.98 1l2k n HIS 119 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1l2k h PRO 120 N 3.38 0.00 0.11 -0.41 0.11 -1.76 -0.40 132.00 133.03 1l2k h PRO 120 Ca 0.10 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.92 1l2k h PRO 120 Cb 0.89 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.03 1l2k h PRO 120 CO 0.52 0.00 -1.22 0.78 -0.21 0.00 0.00 178.00 177.88 1l2k h GLY 121 N 0.00 0.61 -2.41 -0.55 0.00 -1.92 -3.31 103.07 95.49 1l2k h GLY 121 Ca 0.03 -1.28 0.00 0.00 0.00 0.00 0.00 47.33 46.08 1l2k h GLY 121 CO -0.00 1.13 0.00 1.22 0.00 0.00 0.00 176.54 178.89 1l2k n ASP 122 N -3.74 3.59 -2.96 0.19 9.92 -1.10 -4.47 116.55 117.98 1l2k n ASP 122 Ca -0.12 -2.00 -0.23 0.00 -0.53 0.00 0.00 54.79 51.91 1l2k n ASP 122 Cb 0.98 -0.30 -0.03 0.00 -0.64 0.00 0.00 41.12 41.13 1l2k n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1l2k n PHE 123 N 1.55 2.48 -1.08 1.24 7.35 -0.18 -4.74 117.46 124.08 1l2k n PHE 123 Ca 0.21 -3.77 -0.14 0.00 -0.76 0.00 0.00 57.45 52.99 1l2k n PHE 123 Cb 0.62 -0.42 0.11 0.00 0.35 0.00 0.00 39.48 40.14 1l2k n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1l2k n GLY 124 N -0.08 -1.99 0.34 7.13 0.00 -1.26 -4.66 105.19 104.66 1l2k n GLY 124 Ca 0.28 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.73 1l2k n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l2k h ALA 125 N -2.14 1.20 -0.86 4.61 0.00 -1.98 -0.71 119.26 119.38 1l2k h ALA 125 Ca -0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1l2k h ALA 125 Cb 0.59 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1l2k h ALA 125 CO 0.14 0.39 0.46 0.38 0.00 0.00 0.00 179.25 180.62 1l2k h ASP 126 N 1.09 1.09 -0.00 0.00 -0.00 -2.00 -0.42 116.42 116.18 1l2k h ASP 126 Ca 0.37 -0.11 -0.17 0.00 -0.00 0.00 0.00 57.03 57.12 1l2k h ASP 126 Cb 0.06 -0.28 -0.00 0.00 -0.00 0.00 0.00 39.33 39.11 1l2k h ASP 126 CO -0.14 0.89 -0.58 0.00 -0.00 0.00 0.00 179.24 179.40 1l2k h ALA 127 N 1.25 0.63 -0.55 4.15 0.00 -1.77 -2.44 119.26 120.52 1l2k h ALA 127 Ca 0.30 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1l2k h ALA 127 Cb 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1l2k h ALA 127 CO -0.05 0.70 0.31 0.37 0.00 0.00 0.00 179.25 180.58 1l2k h GLN 128 N 0.45 0.76 -0.75 0.00 4.15 -0.65 -0.09 115.11 118.99 1l2k h GLN 128 Ca 0.00 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 1l2k h GLN 128 Cb 1.15 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.65 1l2k h GLN 128 CO 0.11 0.58 0.29 0.78 -1.93 0.00 0.00 178.83 178.66 1l2k h GLY 129 N 0.74 1.20 1.02 2.39 0.00 -0.98 -0.14 103.07 107.30 1l2k h GLY 129 Ca 0.19 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 1l2k h GLY 129 CO -0.03 0.61 -0.31 0.00 0.00 0.00 0.00 176.54 176.81 1l2k h ALA 130 N 1.22 0.48 -0.58 3.60 0.00 -1.09 -2.08 119.26 120.81 1l2k h ALA 130 Ca 0.25 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1l2k h ALA 130 Cb 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1l2k h ALA 130 CO -0.02 0.52 0.21 1.98 0.00 0.00 0.00 179.25 181.94 1l2k h MET 131 N 0.56 0.89 -0.85 0.00 -1.53 -0.78 -1.10 114.93 112.12 1l2k h MET 131 Ca 0.05 -0.17 0.01 0.00 -3.44 0.00 0.00 59.70 56.15 1l2k h MET 131 Cb 0.89 -0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 31.76 1l2k h MET 131 CO 0.08 0.77 0.56 -0.97 0.14 0.00 0.00 176.91 177.50 1l2k h ASN 132 N 0.81 0.97 -0.01 1.39 -1.24 -0.95 -1.20 115.58 115.35 1l2k h ASN 132 Ca 0.19 -0.02 -0.15 0.00 0.71 0.00 0.00 56.30 57.03 1l2k h ASN 132 Cb 0.23 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1l2k h ASN 132 CO -0.01 0.69 -0.48 0.11 -1.29 0.00 0.00 177.43 176.45 1l2k h LYS 133 N 1.14 0.56 -0.46 6.67 1.57 -0.75 -1.27 116.57 124.02 1l2k h LYS 133 Ca 0.32 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1l2k h LYS 133 Cb -0.11 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1l2k h LYS 133 CO -0.07 0.92 -0.15 0.00 -0.57 0.00 0.00 179.45 179.58 1l2k h ALA 134 N 1.02 0.86 -0.05 3.86 0.00 -0.66 -1.19 119.26 123.10 1l2k h ALA 134 Ca 0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 1l2k h ALA 134 Cb 1.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1l2k h ALA 134 CO 0.09 0.64 -0.71 -0.07 0.00 0.00 0.00 179.25 179.20 1l2k h LEU 135 N 0.78 0.30 -0.48 0.00 3.38 -1.12 -1.78 115.31 116.39 1l2k h LEU 135 Ca 0.12 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1l2k h LEU 135 Cb 0.68 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1l2k h LEU 135 CO 0.05 0.91 0.06 -0.33 0.09 0.00 0.00 178.44 179.22 1l2k h GLU 136 N 0.17 0.81 -0.63 1.13 5.08 -1.03 -0.40 114.58 119.72 1l2k h GLU 136 Ca -0.02 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1l2k h GLU 136 Cb 1.26 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1l2k h GLU 136 CO 0.11 0.82 0.39 1.25 -1.00 0.00 0.00 179.01 180.59 1l2k h LEU 137 N 0.68 0.64 -0.41 1.33 5.85 -1.10 0.12 115.31 122.42 1l2k h LEU 137 Ca 0.14 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1l2k h LEU 137 Cb 0.42 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1l2k h LEU 137 CO 0.01 0.45 0.21 0.15 -0.34 0.00 0.00 178.44 178.92 1l2k h PHE 138 N 0.77 0.39 -0.37 1.25 3.04 -0.99 -2.17 116.94 118.87 1l2k h PHE 138 Ca 0.25 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.14 1l2k h PHE 138 Cb 0.00 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 1l2k h PHE 138 CO -0.05 0.21 -0.06 0.00 -2.02 0.00 0.00 178.31 176.39 1l2k h ARG 139 N 0.43 0.69 -0.80 1.11 3.08 -0.44 -2.34 114.38 116.11 1l2k h ARG 139 Ca 0.17 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1l2k h ARG 139 Cb 0.07 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 1l2k h ARG 139 CO -0.11 0.83 0.51 -0.22 -1.07 0.00 0.00 179.97 179.90 1l2k h LYS 140 N 0.49 0.95 0.00 0.04 3.64 -0.64 0.10 116.57 121.15 1l2k h LYS 140 Ca 0.10 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1l2k h LYS 140 Cb 0.56 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1l2k h LYS 140 CO 0.03 0.63 -0.69 -0.44 -2.27 0.00 0.00 179.45 176.71 1l2k h ASP 141 N 0.98 0.00 -0.26 4.20 5.19 -1.34 -2.34 116.42 122.85 1l2k h ASP 141 Ca 0.32 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.56 1l2k h ASP 141 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1l2k h ASP 141 CO -0.12 0.69 -0.52 0.40 -3.12 0.00 0.00 179.24 176.58 1l2k h ILE 142 N 0.00 1.29 -0.35 0.35 1.08 -0.97 -3.10 117.51 115.81 1l2k h ILE 142 Ca -0.01 -1.71 -0.07 0.00 -0.39 0.00 0.00 64.86 62.68 1l2k h ILE 142 Cb 1.28 1.70 -0.02 0.00 -3.07 0.00 0.00 36.82 36.71 1l2k h ILE 142 CO 0.09 0.55 -0.10 0.00 -0.69 0.00 0.00 178.15 178.01 1l2k h ALA 143 N 0.65 1.18 -0.43 1.87 0.00 -0.69 -1.07 119.26 120.77 1l2k h ALA 143 Ca 0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1l2k h ALA 143 Cb 1.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1l2k h ALA 143 CO 0.12 0.52 0.03 0.00 0.00 0.00 0.00 179.25 179.92 1l2k h ALA 144 N 1.35 1.25 0.00 0.00 0.00 -1.41 -0.02 119.26 120.43 1l2k h ALA 144 Ca 0.10 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1l2k h ALA 144 Cb 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1l2k h ALA 144 CO 0.03 0.51 -0.76 0.87 0.00 0.00 0.00 179.25 179.89 1l2k h LYS 145 N 0.65 0.00 -0.28 0.00 1.57 -1.37 -2.63 116.57 114.50 1l2k h LYS 145 Ca 0.14 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1l2k h LYS 145 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1l2k h LYS 145 CO 0.01 0.76 -0.05 1.88 -0.57 0.00 0.00 179.45 181.47 1l2k h TYR 146 N 0.00 0.60 -0.64 -1.35 0.99 -0.79 -2.85 116.97 112.92 1l2k h TYR 146 Ca -0.01 -0.12 0.02 0.00 2.00 0.00 0.00 58.73 60.62 1l2k h TYR 146 Cb 1.52 -0.15 -0.04 0.00 1.00 0.00 0.00 36.73 39.06 1l2k h TYR 146 CO 0.00 0.72 0.41 -0.22 -0.00 0.00 0.00 178.16 179.07 1l2k h LYS 147 N 0.30 0.78 -0.54 4.88 3.64 -0.97 0.06 116.57 124.72 1l2k h LYS 147 Ca 0.07 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1l2k h LYS 147 Cb 0.52 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1l2k h LYS 147 CO 0.03 0.52 0.28 1.49 -2.27 0.00 0.00 179.45 179.50 1l2k h GLU 148 N 0.81 0.53 0.00 1.90 4.81 -1.42 -2.27 114.58 118.93 1l2k h GLU 148 Ca 0.25 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1l2k h GLU 148 Cb -0.01 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1l2k h GLU 148 CO -0.09 0.35 0.00 1.28 -0.73 0.00 0.00 179.01 179.82 1l2k n LEU 149 N -4.86 0.56 -0.11 1.64 4.77 -0.97 -4.93 117.00 113.10 1l2k n LEU 149 Ca 0.05 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1l2k n LEU 149 Cb 0.14 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1l2k n LEU 149 CO 0.29 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1l2k n GLY 150 N 1.30 1.16 0.00 -0.72 0.00 -0.44 -5.10 105.19 101.39 1l2k n GLY 150 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1l2k n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60