#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eda s LEU 2 N 0.00 4.07 0.85 7.52 1.02 -1.26 -5.05 118.68 125.83 3eda s LEU 2 Ca 0.00 2.13 -0.12 0.00 0.02 0.00 0.00 54.13 56.16 3eda s LEU 2 Cb 0.00 -4.23 0.10 0.00 0.02 0.00 0.00 46.19 42.08 3eda s LEU 2 CO 0.00 -0.67 1.13 -0.94 0.02 0.00 0.00 176.35 175.89 3eda s SER 3 N -1.52 4.08 0.25 2.29 1.04 -1.26 -4.88 113.70 113.70 3eda s SER 3 Ca 0.61 1.07 -0.05 0.00 0.48 0.00 0.00 55.95 58.05 3eda s SER 3 Cb -0.24 -1.70 0.27 0.00 0.10 0.00 0.00 66.02 64.45 3eda s SER 3 CO 0.30 -2.20 1.88 -0.33 0.98 0.00 0.00 173.24 173.86 3eda h GLU 4 N -1.25 1.21 -0.76 4.02 4.39 -1.99 -1.05 114.58 119.14 3eda h GLU 4 Ca -0.48 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.06 3eda h GLU 4 Cb 1.31 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 3eda h GLU 4 CO 0.62 0.87 0.38 0.78 -1.16 0.00 0.00 179.01 180.49 3eda h GLY 5 N 1.23 1.17 1.00 -3.84 0.00 -2.00 -0.45 103.07 100.18 3eda h GLY 5 Ca 0.31 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3eda h GLY 5 CO -0.05 0.54 0.28 0.83 0.00 0.00 0.00 176.54 178.14 3eda h GLU 6 N 1.07 0.59 -0.97 4.80 5.08 -1.81 -2.36 114.58 120.99 3eda h GLU 6 Ca 0.26 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3eda h GLU 6 Cb 0.10 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 3eda h GLU 6 CO -0.03 0.41 0.63 -1.49 -1.00 0.00 0.00 179.01 177.52 3eda h TRP 7 N 0.59 1.23 -1.00 4.33 -0.00 -0.85 -1.34 115.95 118.91 3eda h TRP 7 Ca 0.16 0.02 0.04 0.00 -0.00 0.00 0.00 58.89 59.11 3eda h TRP 7 Cb -0.04 -0.41 -0.06 0.00 -0.00 0.00 0.00 29.16 28.64 3eda h TRP 7 CO -0.04 0.78 0.65 0.37 -0.00 0.00 0.00 178.44 180.20 3eda h GLN 8 N 1.32 1.22 -0.59 0.49 4.15 -0.85 0.73 115.11 121.58 3eda h GLN 8 Ca 0.35 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.64 3eda h GLN 8 Cb -0.13 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.26 3eda h GLN 8 CO -0.07 0.80 0.15 -0.07 -1.93 0.00 0.00 178.83 177.71 3eda h LEU 9 N 1.25 0.89 -0.08 -2.39 3.38 -0.85 -0.07 115.31 117.44 3eda h LEU 9 Ca 0.40 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3eda h LEU 9 Cb 0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3eda h LEU 9 CO -0.13 0.89 0.05 0.58 0.09 0.00 0.00 178.44 179.92 3eda h VAL 10 N 0.85 1.02 0.00 1.22 2.07 -0.73 -2.87 116.25 117.82 3eda h VAL 10 Ca 0.19 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.66 3eda h VAL 10 Cb 0.34 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3eda h VAL 10 CO 0.00 0.02 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 3eda h LEU 11 N 0.10 0.00 -0.24 2.57 3.38 -0.77 -1.04 115.31 119.32 3eda h LEU 11 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3eda h LEU 11 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3eda h LEU 11 CO -0.01 0.00 -0.25 -0.74 0.09 0.00 0.00 178.44 177.54 3eda h HIS 12 N 0.00 0.70 -0.23 1.13 2.76 -0.91 -1.21 115.15 117.40 3eda h HIS 12 Ca 0.00 -0.21 -0.15 0.00 -2.20 0.00 0.00 60.37 57.81 3eda h HIS 12 Cb 0.89 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 3eda h HIS 12 CO 0.00 0.92 -0.46 -0.24 -1.30 0.00 0.00 177.93 176.85 3eda h VAL 13 N 0.28 1.31 -0.14 5.26 3.04 -1.44 -3.06 116.25 121.49 3eda h VAL 13 Ca 0.04 -1.66 -0.04 0.00 -1.01 0.00 0.00 66.70 64.02 3eda h VAL 13 Cb 0.81 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 3eda h VAL 13 CO 0.06 0.52 -0.11 -0.25 -1.01 0.00 0.00 177.57 176.78 3eda h TRP 14 N 0.47 0.23 -0.00 3.17 2.91 -1.02 -1.08 115.95 120.62 3eda h TRP 14 Ca 0.03 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 3eda h TRP 14 Cb 0.99 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.57 3eda h TRP 14 CO 0.04 0.34 -0.11 0.00 -1.03 0.00 0.00 178.44 177.67 3eda h ALA 15 N 1.68 1.81 -0.02 2.65 0.00 -1.11 -0.80 119.26 123.47 3eda h ALA 15 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3eda h ALA 15 Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3eda h ALA 15 CO 0.02 0.14 -0.48 0.87 0.00 0.00 0.00 179.25 179.80 3eda h LYS 16 N 0.00 0.05 -0.42 0.00 1.79 -1.22 -3.16 116.57 113.61 3eda h LYS 16 Ca -0.00 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.29 3eda h LYS 16 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3eda h LYS 16 CO 0.01 0.52 -0.33 0.28 -1.08 0.00 0.00 179.45 178.86 3eda h VAL 17 N 0.04 1.27 0.00 0.50 2.07 -0.88 -3.13 116.25 116.12 3eda h VAL 17 Ca -0.00 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3eda h VAL 17 Cb 0.87 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3eda h VAL 17 CO 0.06 0.51 0.00 -0.62 0.02 0.00 0.00 177.57 177.54 3eda n GLU 18 N -4.08 0.19 0.19 1.57 1.02 -0.96 -1.18 120.64 117.40 3eda n GLU 18 Ca -0.01 0.16 0.14 0.00 -0.02 0.00 0.00 57.16 57.42 3eda n GLU 18 Cb 0.52 -1.50 0.45 0.00 -0.02 0.00 0.00 31.44 30.89 3eda n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3eda h ALA 19 N 2.65 1.00 -0.51 0.62 0.00 -1.66 -3.36 119.26 118.00 3eda h ALA 19 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3eda h ALA 19 Cb 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.72 3eda h ALA 19 CO 0.00 0.00 -0.64 -3.47 0.00 0.00 0.00 179.25 175.14 3eda n ASP 20 N -2.72 -2.00 -0.18 0.00 4.64 -0.32 -4.99 116.55 110.99 3eda n ASP 20 Ca 0.03 -3.24 -0.07 0.00 -1.38 0.00 0.00 54.79 50.13 3eda n ASP 20 Cb 0.37 1.23 0.02 0.00 -1.04 0.00 0.00 41.12 41.70 3eda n ASP 20 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3eda h VAL 21 N 2.69 1.16 -0.46 5.18 2.07 -1.66 -2.41 116.25 122.81 3eda h VAL 21 Ca -0.08 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 3eda h VAL 21 Cb 1.01 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3eda h VAL 21 CO 0.33 0.16 -0.10 0.00 0.02 0.00 0.00 177.57 177.98 3eda h ALA 22 N 1.15 0.95 -0.49 1.67 0.00 -1.90 -0.23 119.26 120.42 3eda h ALA 22 Ca 0.19 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3eda h ALA 22 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3eda h ALA 22 CO -0.03 0.62 0.12 0.78 0.00 0.00 0.00 179.25 180.73 3eda h GLY 23 N 0.97 0.84 0.99 0.00 0.00 -1.90 -1.06 103.07 102.91 3eda h GLY 23 Ca 0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3eda h GLY 23 CO 0.04 0.49 0.30 0.45 0.00 0.00 0.00 176.54 177.82 3eda h HIS 24 N 0.66 0.89 -0.46 5.60 3.86 -1.19 -1.86 115.15 122.65 3eda h HIS 24 Ca 0.15 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.25 3eda h HIS 24 Cb 0.33 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3eda h HIS 24 CO 0.02 0.67 -0.02 0.78 0.86 0.00 0.00 177.93 180.24 3eda h GLY 25 N 0.85 0.82 0.91 2.45 0.00 -0.44 0.69 103.07 108.35 3eda h GLY 25 Ca 0.21 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3eda h GLY 25 CO -0.03 0.51 0.04 1.46 0.00 0.00 0.00 176.54 178.52 3eda h GLN 26 N 0.71 0.10 -0.68 4.80 4.20 -1.10 -1.14 115.11 122.01 3eda h GLN 26 Ca 0.14 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 3eda h GLN 26 Cb 0.46 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3eda h GLN 26 CO 0.02 0.17 0.29 -0.44 -0.67 0.00 0.00 178.83 178.20 3eda h ASP 27 N 0.01 0.93 -0.14 1.46 3.32 -0.95 -0.61 116.42 120.43 3eda h ASP 27 Ca 0.03 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 3eda h ASP 27 Cb 0.10 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3eda h ASP 27 CO -0.00 0.83 -0.06 0.40 -1.72 0.00 0.00 179.24 178.69 3eda h ILE 28 N 0.96 1.31 -0.66 0.35 2.04 -0.73 -1.16 117.51 119.61 3eda h ILE 28 Ca 0.23 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 3eda h ILE 28 Cb 0.18 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3eda h ILE 28 CO -0.02 0.31 0.13 -0.07 0.00 0.00 0.00 178.15 178.50 3eda h LEU 29 N -0.04 1.03 -0.47 1.44 3.38 -1.08 -0.48 115.31 119.10 3eda h LEU 29 Ca 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3eda h LEU 29 Cb 0.51 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3eda h LEU 29 CO 0.02 1.02 0.26 0.40 0.09 0.00 0.00 178.44 180.23 3eda h ILE 30 N 1.01 1.16 -0.42 1.22 2.04 -1.12 0.16 117.51 121.56 3eda h ILE 30 Ca 0.20 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3eda h ILE 30 Cb 0.41 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3eda h ILE 30 CO 0.01 0.17 0.23 -0.09 0.00 0.00 0.00 178.15 178.47 3eda h ARG 31 N 0.61 0.44 -0.34 2.37 2.43 -0.99 -0.29 114.38 118.63 3eda h ARG 31 Ca 0.16 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 3eda h ARG 31 Cb 0.05 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3eda h ARG 31 CO -0.03 0.29 0.08 1.25 -1.51 0.00 0.00 179.97 180.05 3eda h LEU 32 N 0.45 0.04 -0.63 3.80 5.85 -0.76 0.19 115.31 124.26 3eda h LEU 32 Ca 0.18 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 3eda h LEU 32 Cb 0.06 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3eda h LEU 32 CO -0.11 0.06 -0.26 -0.26 -0.34 0.00 0.00 178.44 177.54 3eda h PHE 33 N 0.20 0.92 -0.29 1.25 0.04 -0.68 0.57 116.94 118.96 3eda h PHE 33 Ca 0.16 -0.22 -0.13 0.00 2.80 0.00 0.00 57.97 60.58 3eda h PHE 33 Cb 0.16 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 3eda h PHE 33 CO -0.17 0.97 -0.31 0.87 -0.60 0.00 0.00 178.31 179.07 3eda h LYS 34 N 0.69 0.72 0.00 1.51 1.57 -0.92 -3.07 116.57 117.08 3eda h LYS 34 Ca 0.09 -0.39 -0.14 0.00 -1.87 0.00 0.00 60.65 58.34 3eda h LYS 34 Cb 0.79 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3eda h LYS 34 CO 0.06 1.01 -0.68 0.77 -0.57 0.00 0.00 179.45 180.04 3eda h SER 35 N 0.47 0.00 -2.19 0.86 0.02 -0.85 -3.39 113.55 108.47 3eda h SER 35 Ca 0.04 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.47 3eda h SER 35 Cb 0.89 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.07 3eda h SER 35 CO 0.08 0.68 -0.90 -1.00 -1.14 0.00 0.00 176.83 174.55 3eda s HIS 36 N -3.25 0.67 0.55 3.45 3.76 0.18 -5.00 115.29 115.66 3eda s HIS 36 Ca 0.00 -2.01 0.41 0.00 -0.15 0.00 0.00 55.06 53.31 3eda s HIS 36 Cb 0.11 -0.74 2.15 0.00 1.11 0.00 0.00 32.58 35.21 3eda s HIS 36 CO 0.76 -0.89 2.29 -1.35 -0.85 0.00 0.00 174.74 174.70 3eda h PRO 37 N 5.70 0.00 0.00 8.40 0.11 -1.74 0.63 132.00 145.10 3eda h PRO 37 Ca 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 3eda h PRO 37 Cb 0.94 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3eda h PRO 37 CO 0.31 0.01 -0.03 1.05 -0.21 0.00 0.00 178.00 179.13 3eda h GLU 38 N 0.00 0.00 -0.30 1.05 9.09 -1.92 -2.23 114.58 120.27 3eda h GLU 38 Ca -0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 3eda h GLU 38 Cb 0.10 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.19 3eda h GLU 38 CO 0.00 0.03 -0.36 1.79 0.05 0.00 0.00 179.01 180.53 3eda h THR 39 N 0.00 1.29 -0.26 -1.06 1.35 -1.19 -2.87 112.91 110.17 3eda h THR 39 Ca -0.00 -1.51 -0.06 0.00 -0.55 0.00 0.00 66.41 64.30 3eda h THR 39 Cb 0.11 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 3eda h THR 39 CO 0.00 0.49 -0.08 0.25 -0.25 0.00 0.00 175.52 175.93 3eda h LEU 40 N 0.56 0.40 -2.32 3.87 5.85 -1.54 -1.77 115.31 120.36 3eda h LEU 40 Ca 0.06 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3eda h LEU 40 Cb 0.87 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 3eda h LEU 40 CO 0.08 0.52 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.58 3eda h GLU 41 N 0.40 0.00 0.00 1.25 4.57 -1.49 -1.27 114.58 118.04 3eda h GLU 41 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3eda h GLU 41 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3eda h GLU 41 CO 0.02 0.04 0.00 1.63 -1.18 0.00 0.00 179.01 179.52 3eda n LYS 42 N -3.38 0.04 -3.61 1.92 4.76 -0.66 -4.55 118.16 112.67 3eda n LYS 42 Ca -0.02 0.15 -0.40 0.00 -2.87 0.00 0.00 58.31 55.17 3eda n LYS 42 Cb 0.16 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 31.71 3eda n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3eda s PHE 43 N -3.03 3.40 0.43 2.13 0.08 -0.48 -4.91 117.98 115.60 3eda s PHE 43 Ca 0.10 -1.78 0.14 0.00 0.12 0.00 0.00 56.93 55.52 3eda s PHE 43 Cb 0.14 -3.17 1.04 0.00 -0.57 0.00 0.00 43.02 40.45 3eda s PHE 43 CO 0.42 -0.92 1.98 -0.44 -0.10 0.00 0.00 175.22 176.16 3eda h ASP 44 N 8.37 0.36 -0.10 1.36 3.32 -1.83 -0.26 116.42 127.64 3eda h ASP 44 Ca -0.21 0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.88 3eda h ASP 44 Cb 1.07 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 3eda h ASP 44 CO 0.78 0.22 0.08 -0.09 -1.72 0.00 0.00 179.24 178.51 3eda h ARG 45 N 0.40 0.00 0.00 3.56 2.43 -1.93 -3.25 114.38 115.59 3eda h ARG 45 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3eda h ARG 45 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3eda h ARG 45 CO -0.08 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.57 3eda n PHE 46 N -4.39 0.00 0.45 2.20 3.72 -0.25 -4.75 117.46 114.45 3eda n PHE 46 Ca -0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 3eda n PHE 46 Cb 0.19 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.00 3eda n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 3eda n LYS 47 N -0.58 0.03 0.04 -1.08 2.85 -0.38 -1.22 118.16 117.81 3eda n LYS 47 Ca 0.00 0.27 0.10 0.00 -1.05 0.00 0.00 58.31 57.63 3eda n LYS 47 Cb 0.01 -1.50 0.42 0.00 -0.65 0.00 0.00 35.03 33.32 3eda n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 3eda n HIS 48 N -1.47 0.24 -2.74 5.58 1.44 -1.26 -4.72 115.22 112.30 3eda n HIS 48 Ca 0.03 0.09 -0.43 0.00 -2.01 0.00 0.00 57.72 55.41 3eda n HIS 48 Cb 0.14 -0.64 -0.03 0.00 0.12 0.00 0.00 29.99 29.58 3eda n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3eda s LEU 49 N -3.43 4.10 0.00 2.39 1.43 -0.36 -4.89 118.68 117.92 3eda s LEU 49 Ca 0.08 1.27 0.05 0.00 -1.03 0.00 0.00 54.13 54.50 3eda s LEU 49 Cb 0.12 -3.42 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 3eda s LEU 49 CO 0.38 -0.61 0.23 0.29 0.23 0.00 0.00 176.35 176.86 3eda n LYS 50 N 6.19 5.17 -4.21 1.70 4.76 -1.26 -4.98 118.16 125.52 3eda n LYS 50 Ca 0.10 -0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 3eda n LYS 50 Cb 0.47 -0.75 -0.10 0.00 -1.84 0.00 0.00 35.03 32.81 3eda n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3eda s THR 51 N -1.44 0.94 0.29 -0.18 -4.23 -1.26 -5.05 115.64 104.71 3eda s THR 51 Ca 0.02 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 3eda s THR 51 Cb 0.04 -1.72 0.12 0.00 1.34 0.00 0.00 72.50 72.28 3eda s THR 51 CO 0.20 -0.78 1.80 -0.08 -0.54 0.00 0.00 174.62 175.22 3eda h GLU 52 N 2.96 0.64 -0.99 3.99 4.81 -1.99 -1.31 114.58 122.67 3eda h GLU 52 Ca -0.36 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 58.71 3eda h GLU 52 Cb 1.18 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 3eda h GLU 52 CO 0.63 0.69 0.66 0.00 -0.73 0.00 0.00 179.01 180.25 3eda h ALA 53 N 1.36 1.30 -0.54 2.92 0.00 -1.98 0.08 119.26 122.40 3eda h ALA 53 Ca 0.12 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3eda h ALA 53 Cb 0.44 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3eda h ALA 53 CO 0.02 0.65 -0.07 0.93 0.00 0.00 0.00 179.25 180.78 3eda h GLU 54 N 1.34 0.99 -0.47 0.00 5.08 -1.84 -1.40 114.58 118.27 3eda h GLU 54 Ca 0.37 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3eda h GLU 54 Cb -0.15 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 3eda h GLU 54 CO -0.08 1.01 0.30 0.52 -1.00 0.00 0.00 179.01 179.76 3eda h MET 55 N 0.89 0.63 0.00 2.33 2.86 -0.65 -2.32 114.93 118.66 3eda h MET 55 Ca 0.15 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3eda h MET 55 Cb 0.62 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3eda h MET 55 CO 0.04 0.44 -0.24 0.87 1.06 0.00 0.00 176.91 179.08 3eda h LYS 56 N 0.63 0.00 -0.00 1.72 1.57 -0.67 -2.38 116.57 117.45 3eda h LYS 56 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3eda h LYS 56 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3eda h LYS 56 CO -0.03 0.24 -0.22 0.00 -0.57 0.00 0.00 179.45 178.86 3eda n ALA 57 N -2.39 2.92 -2.62 3.86 0.00 -0.56 -4.85 120.51 116.86 3eda n ALA 57 Ca -0.02 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.75 3eda n ALA 57 Cb 0.32 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 3eda n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3eda s SER 58 N -2.85 6.81 0.25 0.00 0.15 -0.90 -4.90 113.70 112.25 3eda s SER 58 Ca 0.17 0.82 0.03 0.00 0.70 0.00 0.00 55.95 57.66 3eda s SER 58 Cb 0.19 -2.52 0.31 0.00 -1.71 0.00 0.00 66.02 62.29 3eda s SER 58 CO 0.58 -0.93 1.63 -0.08 1.20 0.00 0.00 173.24 175.63 3eda h GLU 59 N 8.39 0.38 -0.63 5.44 4.57 -1.88 -2.40 114.58 128.45 3eda h GLU 59 Ca -0.22 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 57.71 3eda h GLU 59 Cb 1.07 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 3eda h GLU 59 CO 1.03 0.76 0.18 0.22 -1.18 0.00 0.00 179.01 180.02 3eda h ASP 60 N 0.31 0.90 -0.54 1.04 -0.00 -1.97 -0.37 116.42 115.80 3eda h ASP 60 Ca 0.02 -0.16 -0.03 0.00 -0.00 0.00 0.00 57.03 56.86 3eda h ASP 60 Cb 0.91 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.98 3eda h ASP 60 CO 0.08 0.86 0.23 0.25 -0.00 0.00 0.00 179.24 180.65 3eda h LEU 61 N 0.93 0.73 -0.73 2.28 5.85 -1.85 -1.15 115.31 121.38 3eda h LEU 61 Ca 0.21 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3eda h LEU 61 Cb 0.29 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3eda h LEU 61 CO -0.01 0.69 0.43 0.50 -0.34 0.00 0.00 178.44 179.72 3eda h LYS 62 N 0.73 1.00 -0.48 1.25 3.64 -0.92 -0.29 116.57 121.50 3eda h LYS 62 Ca 0.18 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3eda h LYS 62 Cb 0.18 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3eda h LYS 62 CO -0.02 0.71 0.29 0.87 -2.27 0.00 0.00 179.45 179.03 3eda h LYS 63 N 1.00 0.65 -0.40 1.90 1.57 -0.82 -2.35 116.57 118.12 3eda h LYS 63 Ca 0.26 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3eda h LYS 63 Cb -0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3eda h LYS 63 CO -0.05 0.47 -0.03 1.25 -0.57 0.00 0.00 179.45 180.53 3eda h HIS 64 N 0.64 0.68 -0.80 -1.35 2.76 -0.68 -1.49 115.15 114.91 3eda h HIS 64 Ca 0.17 -0.09 0.08 0.00 -2.20 0.00 0.00 60.37 58.33 3eda h HIS 64 Cb -0.01 -0.19 -0.07 0.00 1.55 0.00 0.00 27.41 28.70 3eda h HIS 64 CO -0.03 0.67 0.47 0.78 -1.30 0.00 0.00 177.93 178.52 3eda h GLY 65 N 0.93 1.22 0.97 5.26 0.00 -0.69 -0.59 103.07 110.17 3eda h GLY 65 Ca 0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3eda h GLY 65 CO 0.02 0.17 0.16 -2.08 0.00 0.00 0.00 176.54 174.81 3eda h VAL 66 N 0.82 1.23 -0.32 4.60 2.07 -0.93 -1.12 116.25 122.60 3eda h VAL 66 Ca 0.37 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3eda h VAL 66 Cb 0.28 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3eda h VAL 66 CO -0.21 0.28 0.02 0.74 0.02 0.00 0.00 177.57 178.42 3eda h THR 67 N 0.69 0.79 0.17 2.57 2.02 -0.61 0.43 112.91 118.97 3eda h THR 67 Ca 0.16 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3eda h THR 67 Cb 0.28 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3eda h THR 67 CO -0.00 0.02 -0.08 0.58 0.37 0.00 0.00 175.52 176.40 3eda h VAL 68 N 0.12 0.87 0.00 3.16 2.07 -0.97 -2.27 116.25 119.24 3eda h VAL 68 Ca 0.15 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 3eda h VAL 68 Cb 0.20 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3eda h VAL 68 CO -0.24 0.04 -0.39 -0.07 0.02 0.00 0.00 177.57 176.93 3eda h LEU 69 N -0.32 0.00 -0.31 2.57 3.38 -1.03 -1.17 115.31 118.42 3eda h LEU 69 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3eda h LEU 69 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3eda h LEU 69 CO 0.04 0.39 0.04 0.74 0.09 0.00 0.00 178.44 179.74 3eda h THR 70 N 0.00 1.24 -0.48 0.22 2.02 -0.84 0.57 112.91 115.64 3eda h THR 70 Ca -0.00 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 3eda h THR 70 Cb 0.90 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 3eda h THR 70 CO 0.05 0.28 0.10 0.00 0.37 0.00 0.00 175.52 176.33 3eda h ALA 71 N 0.87 0.64 -0.67 6.16 0.00 -1.11 -2.12 119.26 123.02 3eda h ALA 71 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3eda h ALA 71 Cb 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3eda h ALA 71 CO 0.01 0.34 0.19 1.25 0.00 0.00 0.00 179.25 181.03 3eda h LEU 72 N 0.66 1.00 -0.89 0.00 5.85 -1.07 -2.21 115.31 118.65 3eda h LEU 72 Ca 0.15 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3eda h LEU 72 Cb 0.35 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3eda h LEU 72 CO 0.00 0.96 0.43 1.23 -0.34 0.00 0.00 178.44 180.73 3eda h GLY 73 N 1.00 1.31 1.58 3.75 0.00 -0.74 0.64 103.07 110.62 3eda h GLY 73 Ca 0.21 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3eda h GLY 73 CO -0.00 0.60 -0.02 0.00 0.00 0.00 0.00 176.54 177.13 3eda h ALA 74 N 1.25 1.36 -0.14 3.60 0.00 -1.10 -1.11 119.26 123.12 3eda h ALA 74 Ca 0.30 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3eda h ALA 74 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3eda h ALA 74 CO -0.04 0.44 -0.29 0.82 0.00 0.00 0.00 179.25 180.18 3eda h ILE 75 N 0.50 1.37 -0.75 0.00 2.04 -0.73 -3.14 117.51 116.78 3eda h ILE 75 Ca 0.10 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.36 3eda h ILE 75 Cb 0.35 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 3eda h ILE 75 CO 0.01 0.47 0.31 -0.07 0.00 0.00 0.00 178.15 178.86 3eda h LEU 76 N 0.05 1.03 -0.59 1.44 3.38 -0.57 -1.70 115.31 118.35 3eda h LEU 76 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3eda h LEU 76 Cb 0.89 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3eda h LEU 76 CO 0.07 0.91 0.00 0.29 0.09 0.00 0.00 178.44 179.79 3eda n LYS 77 N -4.29 0.12 0.00 1.13 5.02 -0.45 -1.11 118.16 118.59 3eda n LYS 77 Ca 0.07 0.43 0.14 0.00 -2.02 0.00 0.00 58.31 56.93 3eda n LYS 77 Cb 0.18 -1.76 0.69 0.00 -0.02 0.00 0.00 35.03 34.11 3eda n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3eda n LYS 78 N -1.99 0.41 -3.93 1.97 4.76 -0.64 -4.96 118.16 113.78 3eda n LYS 78 Ca 0.02 -0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.14 3eda n LYS 78 Cb 0.16 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.84 3eda n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3eda n LYS 79 N -1.25 -2.93 0.00 1.97 5.02 -0.26 -0.96 118.16 119.74 3eda n LYS 79 Ca 0.13 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 3eda n LYS 79 Cb 0.27 -4.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.86 3eda n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3eda n GLY 80 N -1.96 3.11 2.41 0.72 0.00 -1.26 -4.90 105.19 103.31 3eda n GLY 80 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3eda n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3eda n HIS 81 N -1.49 2.31 -1.13 1.61 8.25 -0.14 -4.63 115.22 120.01 3eda n HIS 81 Ca 0.00 -2.73 0.07 0.00 -0.26 0.00 0.00 57.72 54.80 3eda n HIS 81 Cb 0.00 -1.94 0.21 0.00 1.12 0.00 0.00 29.99 29.38 3eda n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3eda n HIS 82 N 2.14 0.67 -0.20 4.41 1.44 -1.26 -4.74 115.22 117.68 3eda n HIS 82 Ca 0.64 -1.07 -0.04 0.00 -2.01 0.00 0.00 57.72 55.24 3eda n HIS 82 Cb 0.31 -0.30 0.06 0.00 0.12 0.00 0.00 29.99 30.18 3eda n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3eda h GLU 83 N 1.13 0.63 -0.21 -1.40 4.57 -1.99 -0.33 114.58 116.98 3eda h GLU 83 Ca 0.04 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3eda h GLU 83 Cb 1.35 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3eda h GLU 83 CO 0.18 0.42 -0.09 0.00 -1.18 0.00 0.00 179.01 178.34 3eda h ALA 84 N 1.27 1.46 0.11 2.92 0.00 -2.00 -2.01 119.26 121.02 3eda h ALA 84 Ca 0.24 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 3eda h ALA 84 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3eda h ALA 84 CO -0.13 0.38 -1.20 0.93 0.00 0.00 0.00 179.25 179.23 3eda h GLU 85 N 0.32 0.29 -0.02 0.00 3.07 -1.68 -3.36 114.58 113.19 3eda h GLU 85 Ca 0.07 -0.46 -0.20 0.00 -0.50 0.00 0.00 59.36 58.26 3eda h GLU 85 Cb 0.36 0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3eda h GLU 85 CO 0.02 1.20 -0.85 -0.07 -1.40 0.00 0.00 179.01 177.91 3eda h LEU 86 N 0.09 0.44 -0.49 1.33 4.07 -0.69 -3.31 115.31 116.75 3eda h LEU 86 Ca -0.13 -0.33 0.05 0.00 0.08 0.00 0.00 57.88 57.56 3eda h LEU 86 Cb 1.92 -0.13 -0.09 0.00 1.08 0.00 0.00 40.66 43.44 3eda h LEU 86 CO 0.20 1.11 -0.56 0.11 -1.08 0.00 0.00 178.44 178.22 3eda h LYS 87 N 0.21 -0.32 -0.21 1.13 1.57 -1.52 0.20 116.57 117.63 3eda h LYS 87 Ca -0.05 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3eda h LYS 87 Cb 1.46 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 3eda h LYS 87 CO 0.14 -0.22 -0.28 -1.00 -0.57 0.00 0.00 179.45 177.53 3eda h PRO 88 N -0.34 0.40 -0.21 3.15 0.13 -1.76 -1.00 132.00 132.37 3eda h PRO 88 Ca 0.08 -0.15 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 3eda h PRO 88 Cb 0.56 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 3eda h PRO 88 CO -0.64 0.65 -0.15 1.25 -0.23 0.00 0.00 178.00 178.88 3eda h LEU 89 N 0.35 0.49 -0.62 1.56 5.85 -1.50 -0.44 115.31 121.01 3eda h LEU 89 Ca 0.05 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 3eda h LEU 89 Cb 0.67 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3eda h LEU 89 CO 0.05 0.83 0.36 0.00 -0.34 0.00 0.00 178.44 179.34 3eda h ALA 90 N 0.68 0.79 -0.26 1.25 0.00 -0.38 0.04 119.26 121.38 3eda h ALA 90 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3eda h ALA 90 Cb 0.67 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3eda h ALA 90 CO 0.04 0.28 0.13 1.96 0.00 0.00 0.00 179.25 181.66 3eda h GLN 91 N 0.84 0.38 -0.20 0.00 4.20 -1.05 0.89 115.11 120.18 3eda h GLN 91 Ca 0.22 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 3eda h GLN 91 Cb 0.00 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3eda h GLN 91 CO -0.04 0.37 -0.48 0.66 -0.67 0.00 0.00 178.83 178.67 3eda h SER 92 N 0.30 0.57 0.39 1.46 4.64 -0.85 -1.52 113.55 118.53 3eda h SER 92 Ca 0.09 -0.28 -0.19 0.00 -0.47 0.00 0.00 61.79 60.94 3eda h SER 92 Cb 0.12 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3eda h SER 92 CO -0.01 0.96 -0.79 0.45 -0.87 0.00 0.00 176.83 176.57 3eda h HIS 93 N 0.42 0.44 0.09 4.77 3.86 -0.78 0.28 115.15 124.23 3eda h HIS 93 Ca 0.02 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.01 3eda h HIS 93 Cb 1.00 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.41 3eda h HIS 93 CO 0.04 0.98 -0.04 0.00 0.86 0.00 0.00 177.93 179.77 3eda h ALA 94 N 0.95 -0.12 0.00 2.45 0.00 -0.82 0.22 119.26 121.94 3eda h ALA 94 Ca -0.04 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 3eda h ALA 94 Cb 1.38 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 3eda h ALA 94 CO 0.13 -0.31 -2.17 0.25 0.00 0.00 0.00 179.25 177.15 3eda n THR 95 N -4.91 0.91 -0.09 0.00 -2.24 -0.58 -3.64 114.28 103.73 3eda n THR 95 Ca -0.08 -0.73 -0.16 0.00 -2.27 0.00 0.00 64.05 60.81 3eda n THR 95 Cb 0.26 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 3eda n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3eda n LYS 96 N -2.60 0.48 0.18 -0.78 4.81 -0.42 -4.69 118.16 115.14 3eda n LYS 96 Ca -0.21 0.20 0.08 0.00 -0.87 0.00 0.00 58.31 57.51 3eda n LYS 96 Cb 0.94 -1.32 0.10 0.00 0.02 0.00 0.00 35.03 34.77 3eda n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3eda h HIS 97 N -0.85 0.00 -5.05 5.64 3.86 -1.13 -3.48 115.15 114.13 3eda h HIS 97 Ca -0.28 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.67 3eda h HIS 97 Cb 1.17 0.00 0.15 0.00 1.06 0.00 0.00 27.41 29.79 3eda h HIS 97 CO -0.23 0.19 -0.66 1.63 0.86 0.00 0.00 177.93 179.71 3eda n LYS 98 N -3.11 -4.54 -3.61 2.45 4.76 -0.27 -4.99 118.16 108.86 3eda n LYS 98 Ca 0.03 0.72 -0.39 0.00 -2.87 0.00 0.00 58.31 55.79 3eda n LYS 98 Cb 0.61 -5.27 -0.11 0.00 -1.84 0.00 0.00 35.03 28.42 3eda n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3eda s ILE 99 N -3.31 4.82 0.58 -0.18 -1.09 -0.10 -5.03 121.20 116.89 3eda s ILE 99 Ca 0.11 -0.41 -0.20 0.00 -2.23 0.00 0.00 60.65 57.92 3eda s ILE 99 Cb -0.01 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 3eda s ILE 99 CO 0.61 0.00 1.26 -2.84 -1.23 0.00 0.00 174.94 172.75 3eda s PRO 100 N 1.64 3.01 0.37 2.79 0.02 -1.26 -4.68 135.00 136.89 3eda s PRO 100 Ca 0.05 1.98 0.13 0.00 0.02 0.00 0.00 61.00 63.18 3eda s PRO 100 Cb -0.17 -2.04 0.95 0.00 0.02 0.00 0.00 34.50 33.25 3eda s PRO 100 CO 0.08 -1.22 1.81 0.82 -0.33 0.00 0.00 177.00 178.15 3eda h ILE 101 N 1.06 0.66 -0.73 2.83 1.08 -1.89 0.10 117.51 120.62 3eda h ILE 101 Ca -0.51 -0.19 0.09 0.00 -0.39 0.00 0.00 64.86 63.87 3eda h ILE 101 Cb 1.30 0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 3eda h ILE 101 CO 0.56 0.10 0.48 0.50 -0.69 0.00 0.00 178.15 179.10 3eda h LYS 102 N 0.55 0.62 0.00 2.37 1.63 -1.97 0.60 116.57 120.38 3eda h LYS 102 Ca 0.54 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.28 3eda h LYS 102 Cb 1.12 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.61 3eda h LYS 102 CO -0.28 0.41 -0.10 1.88 -3.45 0.00 0.00 179.45 177.91 3eda h TYR 103 N 0.64 0.00 -0.04 1.91 0.99 -1.14 -1.50 116.97 117.83 3eda h TYR 103 Ca 0.33 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.96 3eda h TYR 103 Cb 0.45 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.17 3eda h TYR 103 CO -0.00 0.10 -0.48 -0.07 -0.00 0.00 0.00 178.16 177.71 3eda h LEU 104 N 0.00 0.09 -0.53 3.88 3.38 -0.87 -1.39 115.31 119.88 3eda h LEU 104 Ca -0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3eda h LEU 104 Cb 0.67 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3eda h LEU 104 CO 0.01 0.56 0.18 -0.08 0.09 0.00 0.00 178.44 179.21 3eda h GLU 105 N 0.07 0.80 -0.47 1.13 4.81 -0.69 -1.46 114.58 118.78 3eda h GLU 105 Ca 0.00 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3eda h GLU 105 Cb 0.87 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3eda h GLU 105 CO 0.07 0.73 0.24 0.74 -0.73 0.00 0.00 179.01 180.06 3eda h PHE 106 N 0.72 0.66 0.00 0.92 0.05 -0.98 -0.93 116.94 117.37 3eda h PHE 106 Ca 0.17 -0.02 -0.11 0.00 3.82 0.00 0.00 57.97 61.83 3eda h PHE 106 Cb 0.24 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 37.97 3eda h PHE 106 CO 0.01 0.51 -0.51 0.97 -0.18 0.00 0.00 178.31 179.11 3eda h ILE 107 N 0.61 1.29 -0.77 -0.55 2.10 -1.21 -1.84 117.51 117.15 3eda h ILE 107 Ca 0.16 -1.80 -0.04 0.00 1.08 0.00 0.00 64.86 64.27 3eda h ILE 107 Cb 0.08 1.99 -0.03 0.00 -1.09 0.00 0.00 36.82 37.77 3eda h ILE 107 CO -0.02 0.50 0.33 0.28 -1.08 0.00 0.00 178.15 178.15 3eda h SER 108 N 0.00 1.04 -0.68 2.19 0.02 -0.66 -0.29 113.55 115.18 3eda h SER 108 Ca -0.01 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 3eda h SER 108 Cb 0.95 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 3eda h SER 108 CO 0.07 0.92 0.22 -0.33 -1.14 0.00 0.00 176.83 176.56 3eda h GLU 109 N 1.10 1.07 -0.42 3.45 4.39 -0.68 -1.66 114.58 121.83 3eda h GLU 109 Ca 0.26 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 3eda h GLU 109 Cb 0.19 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3eda h GLU 109 CO -0.02 0.91 -0.05 0.00 -1.16 0.00 0.00 179.01 178.69 3eda h ALA 110 N 1.20 0.58 -0.28 3.43 0.00 -0.81 -1.04 119.26 122.34 3eda h ALA 110 Ca 0.23 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3eda h ALA 110 Cb 0.29 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3eda h ALA 110 CO -0.01 0.40 0.02 0.82 0.00 0.00 0.00 179.25 180.49 3eda h ILE 111 N 0.61 0.82 -0.65 0.00 2.04 -0.86 -1.37 117.51 118.11 3eda h ILE 111 Ca 0.11 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 3eda h ILE 111 Cb 0.55 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3eda h ILE 111 CO 0.03 0.02 0.33 0.40 0.00 0.00 0.00 178.15 178.93 3eda h ILE 112 N 0.12 1.21 -0.30 -0.67 2.04 -1.09 -1.14 117.51 117.68 3eda h ILE 112 Ca 0.13 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3eda h ILE 112 Cb 0.16 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3eda h ILE 112 CO -0.21 0.24 0.15 -0.74 0.00 0.00 0.00 178.15 177.60 3eda h HIS 113 N 0.89 0.42 -0.68 1.37 2.76 -0.86 -1.56 115.15 117.49 3eda h HIS 113 Ca 0.23 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.32 3eda h HIS 113 Cb 0.08 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 3eda h HIS 113 CO -0.00 0.37 0.19 0.28 -1.30 0.00 0.00 177.93 177.47 3eda h VAL 114 N 0.35 1.25 -0.50 5.26 2.07 -0.98 -0.79 116.25 122.91 3eda h VAL 114 Ca 0.10 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 3eda h VAL 114 Cb 0.10 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3eda h VAL 114 CO -0.01 0.35 0.02 -0.07 0.02 0.00 0.00 177.57 177.87 3eda h LEU 115 N 1.01 0.80 -0.40 2.57 3.38 -1.05 -0.11 115.31 121.51 3eda h LEU 115 Ca 0.22 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3eda h LEU 115 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3eda h LEU 115 CO -0.00 0.85 -0.09 -0.74 0.09 0.00 0.00 178.44 178.55 3eda h HIS 116 N 0.78 0.85 -0.42 1.13 2.76 -0.91 -0.23 115.15 119.10 3eda h HIS 116 Ca 0.15 -0.18 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 3eda h HIS 116 Cb 0.44 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 3eda h HIS 116 CO 0.02 0.88 0.15 0.77 -1.30 0.00 0.00 177.93 178.46 3eda h SER 117 N 0.57 0.60 1.26 3.26 0.02 -0.70 -3.17 113.55 115.39 3eda h SER 117 Ca 0.10 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 3eda h SER 117 Cb 0.60 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3eda h SER 117 CO 0.04 0.62 -0.76 0.03 -1.14 0.00 0.00 176.83 175.62 3eda h ARG 118 N 0.54 0.00 -1.23 3.45 3.08 -0.91 -3.40 114.38 115.90 3eda h ARG 118 Ca 0.14 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.78 3eda h ARG 118 Cb 0.22 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.87 3eda h ARG 118 CO -0.01 0.11 -1.12 0.72 -1.07 0.00 0.00 179.97 178.60 3eda n HIS 119 N -2.89 1.42 -0.08 3.04 8.25 -0.11 -4.96 115.22 119.89 3eda n HIS 119 Ca -0.00 -3.00 0.01 0.00 -0.26 0.00 0.00 57.72 54.47 3eda n HIS 119 Cb 0.62 -0.35 0.31 0.00 1.12 0.00 0.00 29.99 31.69 3eda n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3eda h PRO 120 N 2.94 0.71 0.00 -0.41 0.13 -1.73 -1.01 132.00 132.63 3eda h PRO 120 Ca -0.01 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3eda h PRO 120 Cb 1.10 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3eda h PRO 120 CO 0.56 0.54 0.00 0.78 -0.23 0.00 0.00 178.00 179.65 3eda h GLY 121 N 0.81 0.00 -1.32 1.56 0.00 -1.93 -2.18 103.07 100.02 3eda h GLY 121 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3eda h GLY 121 CO -0.03 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.73 3eda n ASP 122 N -2.74 3.26 -2.67 0.19 8.00 -0.59 -4.65 116.55 117.35 3eda n ASP 122 Ca 0.01 -2.44 -0.09 0.00 0.71 0.00 0.00 54.79 52.99 3eda n ASP 122 Cb 0.29 -0.35 0.05 0.00 -0.02 0.00 0.00 41.12 41.08 3eda n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3eda n PHE 123 N 0.01 0.36 -0.89 1.24 7.35 -0.49 -4.53 117.46 120.51 3eda n PHE 123 Ca 0.15 -2.61 -0.10 0.00 -0.76 0.00 0.00 57.45 54.13 3eda n PHE 123 Cb 0.61 0.05 0.08 0.00 0.35 0.00 0.00 39.48 40.57 3eda n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3eda n GLY 124 N -0.17 -2.14 0.35 7.13 0.00 -1.21 -4.55 105.19 104.60 3eda n GLY 124 Ca 0.07 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.51 3eda n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eda h ALA 125 N -2.15 1.12 -0.32 4.61 0.00 -1.98 0.16 119.26 120.70 3eda h ALA 125 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3eda h ALA 125 Cb 0.43 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3eda h ALA 125 CO 0.10 0.66 0.20 0.38 0.00 0.00 0.00 179.25 180.59 3eda h ASP 126 N 1.20 0.38 0.03 0.00 -0.00 -1.99 0.05 116.42 116.08 3eda h ASP 126 Ca 0.29 -0.03 -0.12 0.00 -0.00 0.00 0.00 57.03 57.17 3eda h ASP 126 Cb 0.12 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.35 3eda h ASP 126 CO -0.04 0.30 -0.38 0.00 -0.00 0.00 0.00 179.24 179.12 3eda h ALA 127 N 1.10 0.97 -0.61 4.15 0.00 -1.65 -1.38 119.26 121.84 3eda h ALA 127 Ca 0.12 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3eda h ALA 127 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3eda h ALA 127 CO -0.02 0.62 0.13 1.96 0.00 0.00 0.00 179.25 181.93 3eda h GLN 128 N 0.38 0.96 -0.46 0.00 4.20 -0.36 0.13 115.11 119.97 3eda h GLN 128 Ca 0.04 -0.22 -0.14 0.00 0.06 0.00 0.00 58.65 58.39 3eda h GLN 128 Cb 0.84 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 3eda h GLN 128 CO 0.07 0.87 -0.25 0.78 -0.67 0.00 0.00 178.83 179.63 3eda h GLY 129 N 1.03 1.05 1.01 3.46 0.00 -0.78 0.10 103.07 108.94 3eda h GLY 129 Ca 0.19 -0.96 -0.08 0.00 0.00 0.00 0.00 47.33 46.49 3eda h GLY 129 CO 0.00 0.87 0.01 0.00 0.00 0.00 0.00 176.54 177.43 3eda h ALA 130 N 0.88 0.68 -0.32 3.60 0.00 -0.99 -1.16 119.26 121.96 3eda h ALA 130 Ca 0.10 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3eda h ALA 130 Cb 0.83 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3eda h ALA 130 CO 0.07 0.48 -0.20 1.98 0.00 0.00 0.00 179.25 181.58 3eda h MET 131 N 0.75 0.59 -0.86 0.00 -1.53 -0.84 0.15 114.93 113.20 3eda h MET 131 Ca 0.15 -0.21 0.01 0.00 -3.44 0.00 0.00 59.70 56.20 3eda h MET 131 Cb 0.50 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.47 3eda h MET 131 CO 0.02 0.76 0.57 -0.97 0.14 0.00 0.00 176.91 177.43 3eda h ASN 132 N 0.53 0.97 -0.60 1.39 -0.73 -0.71 -0.59 115.58 115.85 3eda h ASN 132 Ca 0.08 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.17 3eda h ASN 132 Cb 0.64 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 3eda h ASN 132 CO 0.05 0.70 0.15 0.11 -0.37 0.00 0.00 177.43 178.07 3eda h LYS 133 N 1.15 0.95 -0.66 6.67 1.57 -0.55 0.43 116.57 126.13 3eda h LYS 133 Ca 0.32 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3eda h LYS 133 Cb -0.11 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 3eda h LYS 133 CO -0.07 0.87 0.29 0.00 -0.57 0.00 0.00 179.45 179.97 3eda h ALA 134 N 1.04 0.86 -0.01 3.86 0.00 -0.45 -0.56 119.26 123.99 3eda h ALA 134 Ca 0.19 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3eda h ALA 134 Cb 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3eda h ALA 134 CO 0.00 0.44 -0.67 -0.07 0.00 0.00 0.00 179.25 178.96 3eda h LEU 135 N 0.92 0.06 -0.63 0.00 3.38 -0.90 -1.91 115.31 116.24 3eda h LEU 135 Ca 0.22 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3eda h LEU 135 Cb 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3eda h LEU 135 CO -0.02 0.71 0.11 -0.33 0.09 0.00 0.00 178.44 178.99 3eda h GLU 136 N 0.04 1.04 -0.53 1.13 5.08 -0.66 -0.91 114.58 119.76 3eda h GLU 136 Ca -0.01 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3eda h GLU 136 Cb 1.18 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3eda h GLU 136 CO 0.09 0.96 0.28 1.25 -1.00 0.00 0.00 179.01 180.60 3eda h LEU 137 N 0.95 0.67 -0.16 1.33 5.85 -0.89 0.21 115.31 123.28 3eda h LEU 137 Ca 0.19 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3eda h LEU 137 Cb 0.43 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3eda h LEU 137 CO 0.01 0.58 -0.17 0.15 -0.34 0.00 0.00 178.44 178.68 3eda h PHE 138 N 0.71 -0.43 -0.66 1.25 3.04 -1.17 -0.77 116.94 118.91 3eda h PHE 138 Ca 0.19 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.09 3eda h PHE 138 Cb 0.07 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 3eda h PHE 138 CO -0.01 -0.24 0.14 0.00 -2.02 0.00 0.00 178.31 176.18 3eda h ARG 139 N -0.19 1.06 -0.45 1.11 3.08 -0.62 -1.06 114.38 117.30 3eda h ARG 139 Ca 0.11 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 3eda h ARG 139 Cb 0.35 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3eda h ARG 139 CO -0.28 0.95 0.28 -0.22 -1.07 0.00 0.00 179.97 179.63 3eda h LYS 140 N 1.01 0.61 -0.04 0.04 3.64 -0.31 0.18 116.57 121.69 3eda h LYS 140 Ca 0.21 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.34 3eda h LYS 140 Cb 0.38 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3eda h LYS 140 CO 0.00 0.44 -0.83 -0.44 -2.27 0.00 0.00 179.45 176.35 3eda h ASP 141 N 0.60 0.47 -0.69 4.20 3.32 -0.97 -1.75 116.42 121.59 3eda h ASP 141 Ca 0.16 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3eda h ASP 141 Cb -0.02 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3eda h ASP 141 CO -0.03 1.11 0.30 0.40 -1.72 0.00 0.00 179.24 179.30 3eda h ILE 142 N 0.23 1.24 -0.62 0.35 2.04 -1.03 -2.97 117.51 116.76 3eda h ILE 142 Ca -0.05 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3eda h ILE 142 Cb 1.44 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 3eda h ILE 142 CO 0.14 0.29 0.28 0.00 0.00 0.00 0.00 178.15 178.87 3eda h ALA 143 N 1.14 1.34 -0.38 1.87 0.00 -0.40 0.59 119.26 123.43 3eda h ALA 143 Ca 0.23 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3eda h ALA 143 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3eda h ALA 143 CO -0.02 0.51 -0.16 0.00 0.00 0.00 0.00 179.25 179.57 3eda h ALA 144 N 1.44 1.01 -0.36 0.00 0.00 -1.18 0.80 119.26 120.97 3eda h ALA 144 Ca 0.21 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3eda h ALA 144 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3eda h ALA 144 CO -0.03 0.59 -0.34 0.87 0.00 0.00 0.00 179.25 180.35 3eda h LYS 145 N 0.62 0.87 -0.52 0.00 1.57 -1.19 -1.85 116.57 116.07 3eda h LYS 145 Ca 0.10 -0.45 0.03 0.00 -1.87 0.00 0.00 60.65 58.46 3eda h LYS 145 Cb 0.63 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 3eda h LYS 145 CO 0.04 1.10 0.30 1.88 -0.57 0.00 0.00 179.45 182.20 3eda h TYR 146 N 0.67 0.57 -0.58 -1.35 0.99 -0.51 -2.12 116.97 114.64 3eda h TYR 146 Ca 0.06 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 3eda h TYR 146 Cb 0.92 -0.18 -0.03 0.00 1.00 0.00 0.00 36.73 38.44 3eda h TYR 146 CO 0.07 0.32 0.31 -0.22 -0.00 0.00 0.00 178.16 178.63 3eda h LYS 147 N 0.60 0.82 -0.58 4.88 3.64 -0.66 0.82 116.57 126.09 3eda h LYS 147 Ca 0.21 -0.10 0.12 0.00 -1.27 0.00 0.00 60.65 59.61 3eda h LYS 147 Cb 0.04 -0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 31.59 3eda h LYS 147 CO -0.10 0.63 -0.13 1.49 -2.27 0.00 0.00 179.45 179.08 3eda h GLU 148 N 0.79 0.01 -0.00 1.90 4.81 -1.07 -1.85 114.58 119.18 3eda h GLU 148 Ca 0.20 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3eda h GLU 148 Cb 0.06 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3eda h GLU 148 CO -0.03 0.01 -0.05 1.28 -0.73 0.00 0.00 179.01 179.49 3eda n LEU 149 N -5.39 0.22 0.00 1.64 4.77 -0.70 -4.91 117.00 112.64 3eda n LEU 149 Ca 0.07 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3eda n LEU 149 Cb 0.31 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3eda n LEU 149 CO 0.07 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 3eda n GLY 150 N 1.25 0.80 0.04 -0.72 0.00 -0.27 -4.99 105.19 101.30 3eda n GLY 150 Ca 0.16 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.91 3eda n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3eda n TYR 151 N -2.34 0.00 0.14 1.61 4.01 0.12 -4.75 117.16 115.95 3eda n TYR 151 Ca 0.00 -0.71 -0.01 0.00 -0.16 0.00 0.00 57.90 57.02 3eda n TYR 151 Cb 0.00 -0.10 0.15 0.00 -0.31 0.00 0.00 39.34 39.09 3eda n TYR 151 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3eda h GLN 152 N 0.00 0.00 0.00 -0.72 4.15 -1.84 -3.45 115.11 113.25 3eda h GLN 152 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3eda h GLN 152 Cb 0.76 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.45 3eda h GLN 152 CO 0.00 0.62 0.00 0.41 -1.93 0.00 0.00 178.83 177.93