#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2spl s VAL 1 N 0.00 0.40 0.44 3.17 1.01 -1.26 -5.05 120.40 119.10 2spl s VAL 1 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 2spl s VAL 1 Cb 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 2spl s VAL 1 CO 0.00 0.26 0.89 -0.76 0.00 0.00 0.00 175.10 175.49 2spl s LEU 2 N 1.89 3.83 0.85 3.92 1.02 -1.26 -5.07 118.68 123.85 2spl s LEU 2 Ca 0.04 1.46 -0.12 0.00 0.02 0.00 0.00 54.13 55.53 2spl s LEU 2 Cb -0.12 -4.34 0.13 0.00 0.02 0.00 0.00 46.19 41.87 2spl s LEU 2 CO -0.05 -0.42 1.20 -0.94 0.02 0.00 0.00 176.35 176.15 2spl s SER 3 N -2.71 4.01 0.26 2.29 1.04 -1.26 -4.88 113.70 112.45 2spl s SER 3 Ca 0.57 0.45 0.02 0.00 0.48 0.00 0.00 55.95 57.48 2spl s SER 3 Cb -0.10 -0.79 0.35 0.00 0.10 0.00 0.00 66.02 65.59 2spl s SER 3 CO 0.24 -2.17 1.67 -0.08 0.98 0.00 0.00 173.24 173.88 2spl h GLU 4 N -1.17 0.43 -0.56 4.02 4.57 -1.99 -1.65 114.58 118.23 2spl h GLU 4 Ca -0.44 -0.20 -0.07 0.00 -1.18 0.00 0.00 59.36 57.47 2spl h GLU 4 Cb 1.29 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 2spl h GLU 4 CO 0.53 0.73 0.06 0.78 -1.18 0.00 0.00 179.01 179.93 2spl h GLY 5 N 1.10 0.98 0.81 1.92 0.00 -1.99 0.42 103.07 106.31 2spl h GLY 5 Ca 0.04 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 2spl h GLY 5 CO 0.06 0.59 -0.00 0.83 0.00 0.00 0.00 176.54 178.02 2spl h GLU 6 N 0.86 -0.00 -0.61 4.80 5.08 -1.78 -2.20 114.58 120.72 2spl h GLU 6 Ca 0.17 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 2spl h GLU 6 Cb 0.42 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2spl h GLU 6 CO 0.01 0.19 0.41 -1.49 -1.00 0.00 0.00 179.01 177.13 2spl h TRP 7 N -0.20 0.41 -0.56 4.33 4.06 -1.16 -1.87 115.95 120.97 2spl h TRP 7 Ca -0.00 0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 2spl h TRP 7 Cb 0.20 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 2spl h TRP 7 CO -0.01 0.19 0.06 1.96 -3.56 0.00 0.00 178.44 177.08 2spl h GLN 8 N 0.38 0.95 -0.37 0.49 4.20 -0.44 -0.75 115.11 119.58 2spl h GLN 8 Ca 0.28 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 2spl h GLN 8 Cb 0.60 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2spl h GLN 8 CO -0.08 0.93 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.92 2spl h LEU 9 N 0.84 0.56 -0.26 1.46 3.38 -0.77 -1.72 115.31 118.80 2spl h LEU 9 Ca 0.17 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 2spl h LEU 9 Cb 0.46 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2spl h LEU 9 CO 0.02 0.64 -0.70 0.58 0.09 0.00 0.00 178.44 179.07 2spl h VAL 10 N 0.56 1.29 0.00 1.22 2.07 -0.90 -2.80 116.25 117.69 2spl h VAL 10 Ca 0.12 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.70 2spl h VAL 10 Cb 0.39 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2spl h VAL 10 CO 0.02 0.61 -0.28 0.18 0.02 0.00 0.00 177.57 178.11 2spl n LEU 11 N -3.94 0.76 0.03 2.57 4.77 -0.33 -1.28 117.00 119.58 2spl n LEU 11 Ca -0.06 0.42 -0.19 0.00 -0.03 0.00 0.00 56.01 56.15 2spl n LEU 11 Cb 0.70 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 2spl n LEU 11 CO 0.51 -0.12 0.14 -0.74 -1.33 0.00 0.00 177.39 175.85 2spl h HIS 12 N 0.00 0.86 0.00 -1.77 2.76 -1.25 -0.73 115.15 115.03 2spl h HIS 12 Ca 0.00 -0.47 -0.12 0.00 -2.20 0.00 0.00 60.37 57.57 2spl h HIS 12 Cb 0.74 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 2spl h HIS 12 CO 0.00 1.30 -0.69 -0.24 -1.30 0.00 0.00 177.93 177.00 2spl h VAL 13 N 0.18 0.86 -0.05 5.26 3.04 -1.30 -2.96 116.25 121.27 2spl h VAL 13 Ca -0.11 -2.26 -0.06 0.00 -1.01 0.00 0.00 66.70 63.26 2spl h VAL 13 Cb 1.55 2.38 -0.01 0.00 -2.01 0.00 0.00 31.29 33.20 2spl h VAL 13 CO 0.17 0.49 -0.26 -0.25 -1.01 0.00 0.00 177.57 176.71 2spl h TRP 14 N 0.00 0.10 0.00 3.17 2.91 -0.99 -1.43 115.95 119.71 2spl h TRP 14 Ca -0.03 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.94 2spl h TRP 14 Cb 1.44 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 30.06 2spl h TRP 14 CO 0.00 0.35 -0.13 0.00 -1.03 0.00 0.00 178.44 177.63 2spl h ALA 15 N 1.65 1.25 0.02 2.65 0.00 -0.95 -1.37 119.26 122.51 2spl h ALA 15 Ca 0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2spl h ALA 15 Cb 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2spl h ALA 15 CO 0.04 0.17 -0.32 0.87 0.00 0.00 0.00 179.25 180.01 2spl h LYS 16 N 0.00 0.18 -0.62 0.00 1.79 -1.34 -3.13 116.57 113.46 2spl h LYS 16 Ca -0.00 -0.22 0.12 0.00 -2.18 0.00 0.00 60.65 58.36 2spl h LYS 16 Cb 0.38 0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.01 2spl h LYS 16 CO 0.02 0.98 0.14 0.28 -1.08 0.00 0.00 179.45 179.79 2spl h VAL 17 N -0.52 0.63 0.00 0.50 2.07 -0.94 -1.82 116.25 116.17 2spl h VAL 17 Ca -0.04 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2spl h VAL 17 Cb 1.11 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2spl h VAL 17 CO 0.06 0.05 0.06 -0.62 0.02 0.00 0.00 177.57 177.14 2spl n GLU 18 N -5.12 0.08 0.13 1.57 1.02 -0.56 -1.03 120.64 116.73 2spl n GLU 18 Ca 0.09 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.92 2spl n GLU 18 Cb 0.33 -1.82 0.47 0.00 -0.02 0.00 0.00 31.44 30.41 2spl n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2spl h ALA 19 N 1.83 1.00 -1.21 0.62 0.00 -1.32 -3.37 119.26 116.81 2spl h ALA 19 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 2spl h ALA 19 Cb 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.67 2spl h ALA 19 CO 0.00 0.00 -0.67 -3.47 0.00 0.00 0.00 179.25 175.11 2spl n ASP 20 N -2.33 -2.26 -0.08 0.00 2.03 -0.20 -5.01 116.55 108.70 2spl n ASP 20 Ca 0.03 -2.85 -0.09 0.00 0.52 0.00 0.00 54.79 52.40 2spl n ASP 20 Cb 0.31 0.98 0.07 0.00 -0.72 0.00 0.00 41.12 41.75 2spl n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2spl h VAL 21 N 4.15 1.28 -0.29 5.18 2.07 -1.71 -2.28 116.25 124.64 2spl h VAL 21 Ca 0.06 -1.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.02 2spl h VAL 21 Cb 1.02 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2spl h VAL 21 CO 0.21 0.47 -0.37 0.00 0.02 0.00 0.00 177.57 177.91 2spl h ALA 22 N 1.01 0.81 -0.43 1.67 0.00 -1.92 0.64 119.26 121.05 2spl h ALA 22 Ca 0.08 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2spl h ALA 22 Cb 0.82 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2spl h ALA 22 CO 0.07 0.65 -0.30 0.78 0.00 0.00 0.00 179.25 180.44 2spl h GLY 23 N 0.99 1.02 1.03 0.00 0.00 -1.92 -1.57 103.07 102.62 2spl h GLY 23 Ca 0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 47.33 46.35 2spl h GLY 23 CO 0.08 0.88 0.14 0.45 0.00 0.00 0.00 176.54 178.08 2spl h HIS 24 N 0.79 1.06 -0.41 5.60 3.86 -0.98 -2.48 115.15 122.60 2spl h HIS 24 Ca 0.09 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.19 2spl h HIS 24 Cb 0.88 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.02 2spl h HIS 24 CO 0.06 0.89 0.20 0.78 0.86 0.00 0.00 177.93 180.72 2spl h GLY 25 N 0.92 0.56 0.82 2.45 0.00 -0.48 -1.57 103.07 105.76 2spl h GLY 25 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 2spl h GLY 25 CO 0.01 0.10 -0.21 1.46 0.00 0.00 0.00 176.54 177.90 2spl h GLN 26 N 0.41 -0.46 -0.51 4.80 4.20 -1.15 -1.65 115.11 120.74 2spl h GLN 26 Ca 0.17 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.01 2spl h GLN 26 Cb 0.08 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 2spl h GLN 26 CO -0.12 -0.31 0.09 -0.44 -0.67 0.00 0.00 178.83 177.38 2spl h ASP 27 N -0.48 -0.02 -0.01 1.46 5.19 -1.29 -0.19 116.42 121.07 2spl h ASP 27 Ca -0.02 0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2spl h ASP 27 Cb 0.42 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 2spl h ASP 27 CO -0.01 0.01 -0.02 0.40 -3.12 0.00 0.00 179.24 176.50 2spl h ILE 28 N 0.22 0.93 -0.23 0.35 2.04 -1.21 -1.22 117.51 118.41 2spl h ILE 28 Ca 0.26 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.02 2spl h ILE 28 Cb 0.36 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2spl h ILE 28 CO -0.35 0.00 -0.27 -0.26 0.00 0.00 0.00 178.15 177.27 2spl h PHE 29 N -0.04 0.49 -0.47 1.37 0.04 -1.04 -0.27 116.94 117.02 2spl h PHE 29 Ca 0.01 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.59 2spl h PHE 29 Cb 0.06 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 2spl h PHE 29 CO -0.11 0.67 -0.06 0.82 -0.60 0.00 0.00 178.31 179.04 2spl h ILE 30 N 0.39 1.27 -0.46 -0.55 2.04 -1.01 0.74 117.51 119.93 2spl h ILE 30 Ca 0.05 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2spl h ILE 30 Cb 0.68 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2spl h ILE 30 CO 0.05 0.40 0.25 -0.09 0.00 0.00 0.00 178.15 178.76 2spl h ARG 31 N 0.72 0.63 0.13 2.37 9.65 -1.04 0.16 114.38 127.00 2spl h ARG 31 Ca 0.13 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2spl h ARG 31 Cb 0.59 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 2spl h ARG 31 CO 0.04 0.50 -0.06 1.25 2.80 0.00 0.00 179.97 184.49 2spl h LEU 32 N 0.60 -0.15 -1.41 3.80 5.85 -0.74 0.49 115.31 123.74 2spl h LEU 32 Ca 0.16 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2spl h LEU 32 Cb 0.05 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2spl h LEU 32 CO -0.03 -0.11 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.43 2spl h PHE 33 N -0.18 0.03 0.03 1.25 0.04 -0.61 0.13 116.94 117.64 2spl h PHE 33 Ca -0.02 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.62 2spl h PHE 33 Cb 0.14 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.29 2spl h PHE 33 CO -0.07 0.30 -0.51 0.87 -0.60 0.00 0.00 178.31 178.30 2spl h LYS 34 N 0.03 0.29 -0.29 1.51 1.57 -0.69 -3.19 116.57 115.80 2spl h LYS 34 Ca 0.00 -0.35 -0.15 0.00 -1.87 0.00 0.00 60.65 58.28 2spl h LYS 34 Cb 0.50 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2spl h LYS 34 CO 0.04 1.08 -0.43 0.77 -0.57 0.00 0.00 179.45 180.33 2spl h SER 35 N -0.34 0.78 -2.90 0.86 0.02 -0.70 -3.40 113.55 107.87 2spl h SER 35 Ca -0.07 -0.37 -0.60 0.00 -0.84 0.00 0.00 61.79 59.91 2spl h SER 35 Cb 1.29 -0.22 -0.39 0.00 0.14 0.00 0.00 62.40 63.21 2spl h SER 35 CO 0.10 1.11 -0.81 -1.00 -1.14 0.00 0.00 176.83 175.08 2spl s HIS 36 N -4.25 1.66 0.46 3.45 3.76 0.42 -4.98 115.29 115.81 2spl s HIS 36 Ca -0.09 -2.35 0.15 0.00 -0.15 0.00 0.00 55.06 52.62 2spl s HIS 36 Cb 0.12 -1.50 1.06 0.00 1.11 0.00 0.00 32.58 33.37 2spl s HIS 36 CO 0.85 -0.77 2.02 -1.35 -0.85 0.00 0.00 174.74 174.64 2spl h PRO 37 N 6.27 0.00 -0.34 8.40 0.11 -1.74 0.68 132.00 145.37 2spl h PRO 37 Ca 0.11 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.26 2spl h PRO 37 Cb 0.91 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 2spl h PRO 37 CO 0.43 0.16 0.23 1.05 -0.21 0.00 0.00 178.00 179.67 2spl h GLU 38 N 0.00 0.29 0.00 1.05 9.09 -1.92 -2.13 114.58 120.95 2spl h GLU 38 Ca -0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 2spl h GLU 38 Cb 0.29 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.32 2spl h GLU 38 CO 0.02 0.19 -0.06 1.79 0.05 0.00 0.00 179.01 181.00 2spl h THR 39 N 0.29 0.77 0.00 -1.06 1.35 -1.19 -2.33 112.91 110.74 2spl h THR 39 Ca 0.15 -0.23 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 2spl h THR 39 Cb 0.21 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2spl h THR 39 CO -0.03 0.06 -0.14 0.25 -0.25 0.00 0.00 175.52 175.41 2spl h LEU 40 N 0.00 0.00 -1.83 3.87 5.85 -1.55 -1.02 115.31 120.63 2spl h LEU 40 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2spl h LEU 40 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2spl h LEU 40 CO 0.01 0.14 0.00 -0.33 -0.34 0.00 0.00 178.44 177.92 2spl h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.52 -1.78 114.58 117.61 2spl h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2spl h GLU 41 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2spl h GLU 41 CO 0.02 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.66 2spl n LYS 42 N -2.84 0.06 -3.54 2.33 4.76 -0.39 -4.63 118.16 113.91 2spl n LYS 42 Ca -0.01 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 2spl n LYS 42 Cb 0.18 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.78 2spl n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2spl s PHE 43 N -2.93 3.35 0.54 2.13 0.40 -0.67 -4.92 117.98 115.88 2spl s PHE 43 Ca 0.15 -1.56 0.39 0.00 -0.60 0.00 0.00 56.93 55.31 2spl s PHE 43 Cb 0.18 -3.22 2.06 0.00 0.51 0.00 0.00 43.02 42.54 2spl s PHE 43 CO 0.48 -0.90 2.26 -0.44 0.70 0.00 0.00 175.22 177.31 2spl h ASP 44 N 8.49 0.00 1.18 1.36 3.32 -1.85 -0.68 116.42 128.24 2spl h ASP 44 Ca -0.23 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.65 2spl h ASP 44 Cb 1.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2spl h ASP 44 CO 0.83 0.02 -0.83 0.03 -1.72 0.00 0.00 179.24 177.56 2spl h ARG 45 N 0.00 0.00 0.00 3.56 3.08 -1.94 -3.33 114.38 115.74 2spl h ARG 45 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2spl h ARG 45 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2spl h ARG 45 CO 0.00 0.77 0.00 1.19 -1.07 0.00 0.00 179.97 180.86 2spl n PHE 46 N -3.28 0.00 1.30 3.04 3.72 -0.37 -4.79 117.46 117.08 2spl n PHE 46 Ca 0.00 -0.12 0.11 0.00 -0.05 0.00 0.00 57.45 57.39 2spl n PHE 46 Cb 0.86 -0.01 0.62 0.00 -0.94 0.00 0.00 39.48 40.01 2spl n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2spl n LYS 47 N -0.12 0.62 0.00 -1.08 2.85 -0.60 -1.70 118.16 118.14 2spl n LYS 47 Ca 0.00 0.01 0.12 0.00 -1.05 0.00 0.00 58.31 57.39 2spl n LYS 47 Cb 0.06 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.25 2spl n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2spl n HIS 48 N -1.03 0.00 -1.98 5.58 1.44 -1.26 -4.86 115.22 113.10 2spl n HIS 48 Ca 0.15 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.44 2spl n HIS 48 Cb 0.08 -0.23 -0.03 0.00 0.12 0.00 0.00 29.99 29.93 2spl n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2spl s LEU 49 N -2.88 4.35 -0.07 2.39 1.43 -0.69 -4.91 118.68 118.31 2spl s LEU 49 Ca 0.15 2.41 0.17 0.00 -1.03 0.00 0.00 54.13 55.82 2spl s LEU 49 Cb 0.18 -3.56 -0.26 0.00 0.03 0.00 0.00 46.19 42.58 2spl s LEU 49 CO 0.65 -0.86 0.29 0.29 0.23 0.00 0.00 176.35 176.95 2spl n LYS 50 N 5.65 0.77 -4.34 1.70 5.02 -1.26 -5.01 118.16 120.68 2spl n LYS 50 Ca 0.15 -0.12 -0.18 0.00 -2.02 0.00 0.00 58.31 56.15 2spl n LYS 50 Cb 0.41 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 2spl n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2spl s THR 51 N -3.00 0.60 0.17 -0.18 -4.23 -1.26 -5.01 115.64 102.74 2spl s THR 51 Ca -0.07 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.63 2spl s THR 51 Cb 0.10 -2.63 0.14 0.00 1.34 0.00 0.00 72.50 71.45 2spl s THR 51 CO 0.74 0.00 1.74 -0.08 -0.54 0.00 0.00 174.62 176.48 2spl h GLU 52 N 2.30 0.00 -0.31 3.99 4.81 -1.99 0.17 114.58 123.55 2spl h GLU 52 Ca -0.38 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.68 2spl h GLU 52 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2spl h GLU 52 CO 0.60 0.37 -0.48 0.00 -0.73 0.00 0.00 179.01 178.78 2spl h ALA 53 N 1.63 0.57 -0.27 2.92 0.00 -1.99 0.14 119.26 122.27 2spl h ALA 53 Ca -0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 2spl h ALA 53 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2spl h ALA 53 CO 0.05 0.68 -0.42 0.93 0.00 0.00 0.00 179.25 180.49 2spl h GLU 54 N 0.66 0.65 -0.45 0.00 5.08 -1.16 -2.42 114.58 116.94 2spl h GLU 54 Ca 0.03 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2spl h GLU 54 Cb 1.06 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2spl h GLU 54 CO 0.11 0.95 0.22 0.52 -1.00 0.00 0.00 179.01 179.80 2spl h MET 55 N 0.53 0.65 -0.51 2.33 2.86 0.08 -2.45 114.93 118.42 2spl h MET 55 Ca 0.04 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2spl h MET 55 Cb 0.95 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 2spl h MET 55 CO 0.09 0.56 0.20 0.87 1.06 0.00 0.00 176.91 179.69 2spl h LYS 56 N 0.59 0.74 0.00 1.72 1.57 -0.61 -2.28 116.57 118.30 2spl h LYS 56 Ca 0.16 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2spl h LYS 56 Cb 0.12 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2spl h LYS 56 CO -0.02 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 2spl n ALA 57 N -2.46 2.29 -2.63 3.86 0.00 -0.92 -4.85 120.51 115.81 2spl n ALA 57 Ca 0.04 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 2spl n ALA 57 Cb 0.16 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 2spl n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2spl s SER 58 N -2.67 6.83 0.34 0.00 0.15 -0.86 -4.88 113.70 112.61 2spl s SER 58 Ca 0.22 0.85 0.14 0.00 0.70 0.00 0.00 55.95 57.87 2spl s SER 58 Cb 0.18 -2.54 0.59 0.00 -1.71 0.00 0.00 66.02 62.53 2spl s SER 58 CO 0.42 -1.00 1.72 -0.08 1.20 0.00 0.00 173.24 175.50 2spl h GLU 59 N 8.46 0.00 -0.31 5.44 4.57 -1.88 -2.44 114.58 128.41 2spl h GLU 59 Ca -0.21 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.85 2spl h GLU 59 Cb 1.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2spl h GLU 59 CO 1.06 0.46 -0.25 -0.44 -1.18 0.00 0.00 179.01 178.67 2spl h ASP 60 N 0.00 0.76 -0.89 1.04 5.19 -1.97 -1.36 116.42 119.19 2spl h ASP 60 Ca -0.00 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2spl h ASP 60 Cb 0.90 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 40.15 2spl h ASP 60 CO 0.06 1.05 0.58 0.25 -3.12 0.00 0.00 179.24 178.06 2spl h LEU 61 N 0.48 1.04 -0.96 1.55 5.85 -1.87 -1.59 115.31 119.81 2spl h LEU 61 Ca 0.06 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 2spl h LEU 61 Cb 0.81 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2spl h LEU 61 CO 0.06 0.77 -0.20 0.50 -0.34 0.00 0.00 178.44 179.23 2spl h LYS 62 N 1.22 0.52 -0.27 1.25 3.64 -1.10 -0.52 116.57 121.30 2spl h LYS 62 Ca 0.33 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 2spl h LYS 62 Cb -0.11 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2spl h LYS 62 CO -0.07 0.70 -0.32 0.87 -2.27 0.00 0.00 179.45 178.36 2spl h LYS 63 N 0.47 0.57 -0.43 1.90 1.57 -0.91 -2.38 116.57 117.36 2spl h LYS 63 Ca 0.07 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 2spl h LYS 63 Cb 0.61 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2spl h LYS 63 CO 0.04 0.82 -0.15 1.25 -0.57 0.00 0.00 179.45 180.84 2spl h HIS 64 N 0.49 0.98 -0.69 -1.35 2.76 -1.00 -1.92 115.15 114.43 2spl h HIS 64 Ca 0.06 -0.23 0.03 0.00 -2.20 0.00 0.00 60.37 58.03 2spl h HIS 64 Cb 0.80 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 2spl h HIS 64 CO 0.03 0.99 0.45 0.78 -1.30 0.00 0.00 177.93 178.89 2spl h GLY 65 N 0.69 0.94 1.03 5.26 0.00 -0.63 -0.99 103.07 109.37 2spl h GLY 65 Ca 0.10 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 2spl h GLY 65 CO 0.05 0.30 -0.20 -2.08 0.00 0.00 0.00 176.54 174.61 2spl h VAL 66 N 0.84 1.28 -0.09 4.60 2.07 -1.04 -0.27 116.25 123.65 2spl h VAL 66 Ca 0.27 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.47 2spl h VAL 66 Cb 0.03 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2spl h VAL 66 CO -0.07 0.45 -0.03 0.74 0.02 0.00 0.00 177.57 178.67 2spl h THR 67 N 0.67 0.88 -0.04 2.57 2.02 -0.75 -0.66 112.91 117.60 2spl h THR 67 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2spl h THR 67 Cb 0.76 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2spl h THR 67 CO 0.06 0.00 0.02 0.58 0.37 0.00 0.00 175.52 176.55 2spl h VAL 68 N -0.02 1.09 -0.39 3.16 2.07 -1.11 -1.55 116.25 119.50 2spl h VAL 68 Ca 0.05 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 2spl h VAL 68 Cb 0.09 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2spl h VAL 68 CO -0.10 0.08 -0.13 -0.07 0.02 0.00 0.00 177.57 177.36 2spl h LEU 69 N -0.04 0.68 -0.36 2.57 3.38 -0.95 -1.38 115.31 119.21 2spl h LEU 69 Ca 0.01 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2spl h LEU 69 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2spl h LEU 69 CO -0.00 0.84 0.22 0.74 0.09 0.00 0.00 178.44 180.33 2spl h THR 70 N 0.63 1.06 -0.27 0.22 2.02 -1.03 -0.28 112.91 115.25 2spl h THR 70 Ca 0.11 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 2spl h THR 70 Cb 0.59 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2spl h THR 70 CO 0.04 0.08 0.00 0.00 0.37 0.00 0.00 175.52 176.02 2spl h ALA 71 N 1.15 1.50 -0.19 6.16 0.00 -0.74 -1.93 119.26 125.22 2spl h ALA 71 Ca 0.14 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2spl h ALA 71 Cb -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2spl h ALA 71 CO -0.05 0.36 -0.70 1.25 0.00 0.00 0.00 179.25 180.11 2spl h LEU 72 N 0.40 0.93 -0.73 0.00 5.85 -1.11 -2.72 115.31 117.92 2spl h LEU 72 Ca 0.09 -0.60 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 2spl h LEU 72 Cb 0.26 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2spl h LEU 72 CO 0.01 1.38 0.31 1.23 -0.34 0.00 0.00 178.44 181.02 2spl h GLY 73 N 0.54 1.17 2.00 3.75 0.00 -0.89 -0.70 103.07 108.95 2spl h GLY 73 Ca -0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 2spl h GLY 73 CO 0.15 0.59 -0.13 0.00 0.00 0.00 0.00 176.54 177.14 2spl h ALA 74 N 1.15 1.76 0.06 3.60 0.00 -1.08 -1.72 119.26 123.02 2spl h ALA 74 Ca 0.25 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 2spl h ALA 74 Cb 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2spl h ALA 74 CO -0.02 0.17 -1.06 0.82 0.00 0.00 0.00 179.25 179.15 2spl h ILE 75 N 0.00 1.31 -0.14 0.00 2.04 -1.07 -3.11 117.51 116.54 2spl h ILE 75 Ca -0.00 -2.32 -0.09 0.00 1.00 0.00 0.00 64.86 63.45 2spl h ILE 75 Cb 0.24 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2spl h ILE 75 CO 0.02 0.71 -0.30 -0.07 0.00 0.00 0.00 178.15 178.51 2spl h LEU 76 N 0.24 0.27 -0.64 1.44 3.38 -1.00 -1.81 115.31 117.19 2spl h LEU 76 Ca -0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2spl h LEU 76 Cb 1.74 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2spl h LEU 76 CO 0.21 0.57 0.00 0.11 0.09 0.00 0.00 178.44 179.41 2spl h LYS 77 N 0.24 0.00 0.00 1.13 1.57 -1.26 -1.64 116.57 116.61 2spl h LYS 77 Ca 0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2spl h LYS 77 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2spl h LYS 77 CO 0.05 0.00 -0.17 0.87 -0.57 0.00 0.00 179.45 179.62 2spl h LYS 78 N 0.00 0.00 -5.72 3.15 1.79 -1.26 -3.48 116.57 111.05 2spl h LYS 78 Ca 0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 2spl h LYS 78 Cb 0.45 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 31.25 2spl h LYS 78 CO 0.00 0.17 -0.75 1.63 -1.08 0.00 0.00 179.45 179.42 2spl n LYS 79 N -3.26 -6.82 0.00 3.15 5.02 -0.62 -1.88 118.16 113.75 2spl n LYS 79 Ca 0.01 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 2spl n LYS 79 Cb 0.45 -5.84 0.00 0.00 -0.02 0.00 0.00 35.03 29.62 2spl n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2spl n GLY 80 N -1.33 1.71 2.83 0.72 0.00 -1.26 -4.96 105.19 102.90 2spl n GLY 80 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2spl n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2spl n HIS 81 N -2.00 2.56 -0.09 1.61 8.25 -0.79 -4.62 115.22 120.14 2spl n HIS 81 Ca 0.00 -2.66 0.01 0.00 -0.26 0.00 0.00 57.72 54.81 2spl n HIS 81 Cb 0.00 -1.53 0.02 0.00 1.12 0.00 0.00 29.99 29.60 2spl n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2spl n HIS 82 N 1.92 0.02 -0.34 4.41 1.44 -1.26 -4.72 115.22 116.69 2spl n HIS 82 Ca 0.38 -0.54 0.09 0.00 -2.01 0.00 0.00 57.72 55.64 2spl n HIS 82 Cb 0.32 -0.06 0.19 0.00 0.12 0.00 0.00 29.99 30.56 2spl n HIS 82 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2spl n GLU 83 N -0.53 -0.08 -0.13 -1.40 4.71 -1.26 -1.30 120.64 120.65 2spl n GLU 83 Ca 0.02 1.48 -0.13 0.00 -0.01 0.00 0.00 57.16 58.52 2spl n GLU 83 Cb 0.29 -2.26 -0.02 0.00 -1.01 0.00 0.00 31.44 28.44 2spl n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2spl h ALA 84 N 1.93 0.60 -0.45 0.62 0.00 -2.00 -2.65 119.26 117.31 2spl h ALA 84 Ca 0.51 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2spl h ALA 84 Cb 0.90 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2spl h ALA 84 CO -0.96 0.68 0.07 0.93 0.00 0.00 0.00 179.25 179.97 2spl h GLU 85 N 0.80 0.69 0.00 0.00 3.07 -1.79 -3.13 114.58 114.22 2spl h GLU 85 Ca 0.08 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.69 2spl h GLU 85 Cb 0.93 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.73 2spl h GLU 85 CO 0.09 0.66 -0.48 1.25 -1.40 0.00 0.00 179.01 179.12 2spl h LEU 86 N 0.67 0.00 0.18 1.33 5.85 -0.84 -3.36 115.31 119.14 2spl h LEU 86 Ca 0.14 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2spl h LEU 86 Cb 0.31 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2spl h LEU 86 CO 0.00 0.48 -0.48 0.11 -0.34 0.00 0.00 178.44 178.22 2spl h LYS 87 N 0.00 -0.73 0.00 1.25 1.57 -1.45 -0.36 116.57 116.84 2spl h LYS 87 Ca -0.00 0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2spl h LYS 87 Cb 0.93 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2spl h LYS 87 CO 0.06 -0.49 -0.26 -1.00 -0.57 0.00 0.00 179.45 177.20 2spl h PRO 88 N -0.76 0.00 -0.13 3.15 0.13 -1.77 -1.51 132.00 131.12 2spl h PRO 88 Ca -0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2spl h PRO 88 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2spl h PRO 88 CO -0.23 0.26 -0.39 1.25 -0.23 0.00 0.00 178.00 178.66 2spl h LEU 89 N 0.00 0.56 -0.62 1.56 7.12 -1.66 -0.93 115.31 121.35 2spl h LEU 89 Ca -0.00 -0.60 -0.10 0.00 0.13 0.00 0.00 57.88 57.31 2spl h LEU 89 Cb 0.64 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 2spl h LEU 89 CO 0.03 1.06 -0.05 0.00 -0.13 0.00 0.00 178.44 179.35 2spl h ALA 90 N 0.51 0.83 -0.28 1.25 0.00 -0.96 -1.39 119.26 119.22 2spl h ALA 90 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2spl h ALA 90 Cb 1.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2spl h ALA 90 CO 0.08 0.67 0.03 0.37 0.00 0.00 0.00 179.25 180.40 2spl h GLN 91 N 0.93 0.47 -0.20 0.00 4.15 -1.02 -0.10 115.11 119.34 2spl h GLN 91 Ca 0.16 -0.14 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 2spl h GLN 91 Cb 0.61 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2spl h GLN 91 CO 0.04 0.60 -0.40 0.66 -1.93 0.00 0.00 178.83 177.79 2spl h SER 92 N 0.28 0.49 0.84 -0.69 4.64 -1.11 0.24 113.55 118.23 2spl h SER 92 Ca 0.08 -0.21 -0.19 0.00 -0.47 0.00 0.00 61.79 61.00 2spl h SER 92 Cb 0.37 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2spl h SER 92 CO 0.01 0.84 -0.91 0.45 -0.87 0.00 0.00 176.83 176.36 2spl h HIS 93 N 0.38 0.06 0.18 4.77 3.86 -1.13 0.24 115.15 123.51 2spl h HIS 93 Ca 0.03 -0.04 -0.31 0.00 -1.16 0.00 0.00 60.37 58.89 2spl h HIS 93 Cb 0.88 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 29.36 2spl h HIS 93 CO 0.03 0.92 -1.44 0.00 0.86 0.00 0.00 177.93 178.30 2spl h ALA 94 N 1.07 0.04 0.00 2.45 0.00 -0.96 0.72 119.26 122.57 2spl h ALA 94 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2spl h ALA 94 Cb 1.58 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2spl h ALA 94 CO 0.12 0.91 -1.52 -2.37 0.00 0.00 0.00 179.25 176.40 2spl n THR 95 N -3.59 0.00 -0.12 0.00 5.66 0.07 -3.81 114.28 112.49 2spl n THR 95 Ca -0.15 -0.28 -0.24 0.00 -3.05 0.00 0.00 64.05 60.33 2spl n THR 95 Cb 1.06 0.26 -0.08 0.00 -1.55 0.00 0.00 70.33 70.02 2spl n THR 95 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2spl n LYS 96 N -1.90 0.52 0.03 1.09 4.81 -0.06 -4.64 118.16 118.00 2spl n LYS 96 Ca -0.02 0.22 -0.07 0.00 -0.87 0.00 0.00 58.31 57.57 2spl n LYS 96 Cb 0.32 -1.37 -0.12 0.00 0.02 0.00 0.00 35.03 33.88 2spl n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2spl h HIS 97 N -0.89 0.00 -5.26 5.64 3.86 -1.38 -3.49 115.15 113.64 2spl h HIS 97 Ca -0.55 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.59 2spl h HIS 97 Cb 1.47 0.00 0.06 0.00 1.06 0.00 0.00 27.41 29.99 2spl h HIS 97 CO -0.12 0.97 -0.24 1.63 0.86 0.00 0.00 177.93 181.02 2spl n LYS 98 N -3.21 -1.51 -3.95 2.45 4.01 -0.49 -5.00 118.16 110.46 2spl n LYS 98 Ca -0.07 1.26 -0.35 0.00 -0.51 0.00 0.00 58.31 58.64 2spl n LYS 98 Cb 0.97 -5.55 -0.10 0.00 -0.51 0.00 0.00 35.03 29.84 2spl n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2spl s ILE 99 N -3.11 4.73 0.56 -0.18 -1.09 0.13 -5.02 121.20 117.21 2spl s ILE 99 Ca 0.13 -0.05 -0.14 0.00 -2.23 0.00 0.00 60.65 58.36 2spl s ILE 99 Cb -0.02 -3.15 -0.06 0.00 -1.58 0.00 0.00 42.46 37.65 2spl s ILE 99 CO 0.71 0.43 1.00 -2.16 -1.23 0.00 0.00 174.94 173.68 2spl s PRO 100 N 0.65 3.77 0.29 2.79 0.04 -1.26 -4.79 135.00 136.51 2spl s PRO 100 Ca 0.04 0.83 -0.00 0.00 0.04 0.00 0.00 61.00 61.90 2spl s PRO 100 Cb -0.13 -2.12 0.49 0.00 0.04 0.00 0.00 34.50 32.78 2spl s PRO 100 CO 0.02 -0.40 1.91 0.82 0.04 0.00 0.00 177.00 179.39 2spl h ILE 101 N 0.34 1.09 -0.80 0.56 1.08 -1.90 0.18 117.51 118.05 2spl h ILE 101 Ca -0.46 -0.37 0.10 0.00 -0.39 0.00 0.00 64.86 63.75 2spl h ILE 101 Cb 1.19 -0.08 -0.06 0.00 -3.07 0.00 0.00 36.82 34.80 2spl h ILE 101 CO 0.62 0.20 0.52 0.50 -0.69 0.00 0.00 178.15 179.30 2spl h LYS 102 N 1.07 0.68 -0.01 2.37 1.63 -1.92 -0.81 116.57 119.59 2spl h LYS 102 Ca 0.39 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 60.06 2spl h LYS 102 Cb 0.16 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2spl h LYS 102 CO -0.14 0.45 -0.42 1.88 -3.45 0.00 0.00 179.45 177.77 2spl h TYR 103 N 0.70 0.02 0.00 1.91 -1.99 -1.00 -2.22 116.97 114.39 2spl h TYR 103 Ca 0.37 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.02 2spl h TYR 103 Cb 0.50 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 2spl h TYR 103 CO -0.00 0.43 -0.40 -0.07 -0.00 0.00 0.00 178.16 178.12 2spl h LEU 104 N 0.01 0.00 -0.38 3.88 3.38 -1.07 -1.41 115.31 119.72 2spl h LEU 104 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2spl h LEU 104 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2spl h LEU 104 CO 0.05 0.40 -0.35 -0.33 0.09 0.00 0.00 178.44 178.30 2spl h GLU 105 N 0.00 0.91 -0.97 1.13 5.08 -0.92 -2.30 114.58 117.50 2spl h GLU 105 Ca -0.00 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2spl h GLU 105 Cb 0.76 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2spl h GLU 105 CO 0.05 1.12 0.64 0.74 -1.00 0.00 0.00 179.01 180.57 2spl h PHE 106 N 0.72 1.22 0.00 4.33 0.04 -0.81 -2.07 116.94 120.37 2spl h PHE 106 Ca 0.06 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.76 2spl h PHE 106 Cb 0.94 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2spl h PHE 106 CO 0.06 0.76 -0.48 0.97 -0.60 0.00 0.00 178.31 179.03 2spl h ILE 107 N 1.31 0.98 -0.46 -0.55 2.10 -1.20 -1.99 117.51 117.70 2spl h ILE 107 Ca 0.36 -1.91 -0.02 0.00 1.08 0.00 0.00 64.86 64.38 2spl h ILE 107 Cb -0.13 2.15 -0.02 0.00 -1.09 0.00 0.00 36.82 37.73 2spl h ILE 107 CO -0.08 0.47 0.22 0.28 -1.08 0.00 0.00 178.15 177.96 2spl h SER 108 N 0.00 0.60 -0.50 2.19 0.02 -1.01 0.91 113.55 115.77 2spl h SER 108 Ca -0.00 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2spl h SER 108 Cb 1.11 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2spl h SER 108 CO 0.06 0.56 0.29 -0.08 -1.14 0.00 0.00 176.83 176.52 2spl h GLU 109 N 0.60 0.68 -0.27 3.45 4.81 -1.16 -1.88 114.58 120.81 2spl h GLU 109 Ca 0.16 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2spl h GLU 109 Cb 0.12 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2spl h GLU 109 CO -0.02 0.50 -0.04 0.00 -0.73 0.00 0.00 179.01 178.72 2spl h ALA 110 N 1.14 1.44 -0.37 2.92 0.00 -0.69 -0.11 119.26 123.60 2spl h ALA 110 Ca 0.18 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2spl h ALA 110 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2spl h ALA 110 CO -0.03 0.39 -0.33 0.82 0.00 0.00 0.00 179.25 180.10 2spl h ILE 111 N 0.40 1.28 -0.25 0.00 2.04 -0.49 -1.56 117.51 118.92 2spl h ILE 111 Ca 0.09 -1.50 -0.14 0.00 1.00 0.00 0.00 64.86 64.30 2spl h ILE 111 Cb 0.33 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2spl h ILE 111 CO 0.01 0.50 -0.43 0.40 0.00 0.00 0.00 178.15 178.64 2spl h ILE 112 N 0.69 1.30 -0.17 -0.67 2.04 -1.13 -0.65 117.51 118.92 2spl h ILE 112 Ca 0.06 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 2spl h ILE 112 Cb 0.92 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 2spl h ILE 112 CO 0.09 0.51 0.07 -0.74 0.00 0.00 0.00 178.15 178.07 2spl h HIS 113 N 0.51 0.27 -0.61 1.37 2.76 -0.81 -0.76 115.15 117.87 2spl h HIS 113 Ca 0.04 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 2spl h HIS 113 Cb 0.95 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 2spl h HIS 113 CO 0.04 0.33 0.14 0.28 -1.30 0.00 0.00 177.93 177.43 2spl h VAL 114 N 0.13 1.25 -0.70 5.26 2.07 -1.05 -1.19 116.25 122.02 2spl h VAL 114 Ca 0.06 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2spl h VAL 114 Cb 0.18 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2spl h VAL 114 CO -0.00 0.35 0.19 -0.07 0.02 0.00 0.00 177.57 178.05 2spl h LEU 115 N 0.90 1.03 -0.78 2.57 3.38 -0.91 0.40 115.31 121.89 2spl h LEU 115 Ca 0.19 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2spl h LEU 115 Cb 0.36 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2spl h LEU 115 CO 0.00 0.97 0.35 -0.74 0.09 0.00 0.00 178.44 179.11 2spl h HIS 116 N 1.04 1.15 -0.29 1.13 2.76 -0.92 0.59 115.15 120.62 2spl h HIS 116 Ca 0.22 -0.07 -0.17 0.00 -2.20 0.00 0.00 60.37 58.16 2spl h HIS 116 Cb 0.33 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 2spl h HIS 116 CO 0.03 0.86 -0.48 0.77 -1.30 0.00 0.00 177.93 177.80 2spl h SER 117 N 1.12 0.86 0.52 3.26 0.02 -0.61 -3.25 113.55 115.47 2spl h SER 117 Ca 0.27 -0.43 -0.28 0.00 -0.84 0.00 0.00 61.79 60.50 2spl h SER 117 Cb 0.16 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 2spl h SER 117 CO -0.03 1.20 -1.66 0.03 -1.14 0.00 0.00 176.83 175.23 2spl h ARG 118 N 0.62 0.00 -1.32 3.45 3.08 -0.86 -3.41 114.38 115.95 2spl h ARG 118 Ca 0.03 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.56 2spl h ARG 118 Cb 1.06 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.70 2spl h ARG 118 CO 0.11 0.51 -0.87 0.72 -1.07 0.00 0.00 179.97 179.36 2spl n HIS 119 N -3.06 2.71 -0.27 3.04 8.25 0.19 -4.94 115.22 121.14 2spl n HIS 119 Ca -0.16 -2.97 0.18 0.00 -0.26 0.00 0.00 57.72 54.52 2spl n HIS 119 Cb 1.04 -0.18 0.47 0.00 1.12 0.00 0.00 29.99 32.44 2spl n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2spl h PRO 120 N 2.68 0.47 0.00 -0.41 0.13 -1.71 0.11 132.00 133.28 2spl h PRO 120 Ca 0.18 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 65.20 2spl h PRO 120 Cb 1.03 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2spl h PRO 120 CO 0.73 0.31 -0.42 0.78 -0.23 0.00 0.00 178.00 179.17 2spl h GLY 121 N 0.48 0.00 -1.98 1.56 0.00 -1.92 -2.86 103.07 98.37 2spl h GLY 121 Ca 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.81 2spl h GLY 121 CO -0.22 0.00 0.01 0.70 0.00 0.00 0.00 176.54 177.02 2spl n ASN 122 N -3.45 4.12 -2.70 0.19 3.02 0.25 -4.64 115.26 112.05 2spl n ASN 122 Ca 0.00 -3.06 -0.07 0.00 -0.03 0.00 0.00 54.58 51.43 2spl n ASN 122 Cb 0.57 -0.58 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 2spl n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2spl n PHE 123 N -0.37 0.40 -0.30 3.10 7.35 -0.33 -4.67 117.46 122.63 2spl n PHE 123 Ca 0.24 -2.48 0.00 0.00 -0.76 0.00 0.00 57.45 54.45 2spl n PHE 123 Cb 0.96 0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.87 2spl n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2spl n GLY 124 N -0.32 -2.45 0.14 7.13 0.00 -1.25 -4.63 105.19 103.82 2spl n GLY 124 Ca 0.05 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 2spl n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2spl h ALA 125 N -2.00 0.35 -0.34 4.61 0.00 -1.98 0.45 119.26 120.34 2spl h ALA 125 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2spl h ALA 125 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2spl h ALA 125 CO 0.00 -0.06 0.13 -0.44 0.00 0.00 0.00 179.25 178.88 2spl h ASP 126 N 0.28 0.47 -0.49 0.00 3.32 -1.99 -1.16 116.42 116.86 2spl h ASP 126 Ca 0.09 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2spl h ASP 126 Cb 0.17 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2spl h ASP 126 CO -0.01 0.51 0.19 0.00 -1.72 0.00 0.00 179.24 178.21 2spl h ALA 127 N 0.98 1.32 -0.46 3.45 0.00 -1.80 -1.43 119.26 121.31 2spl h ALA 127 Ca 0.11 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2spl h ALA 127 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2spl h ALA 127 CO -0.01 0.50 -0.23 0.37 0.00 0.00 0.00 179.25 179.87 2spl h GLN 128 N 0.77 0.98 -0.51 0.00 4.15 -0.75 -0.11 115.11 119.64 2spl h GLN 128 Ca 0.18 -0.43 -0.04 0.00 0.77 0.00 0.00 58.65 59.13 2spl h GLN 128 Cb 0.20 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2spl h GLN 128 CO -0.01 1.10 0.15 0.78 -1.93 0.00 0.00 178.83 178.92 2spl h GLY 129 N 0.82 0.82 1.24 2.39 0.00 -1.01 0.23 103.07 107.56 2spl h GLY 129 Ca 0.10 -0.44 -0.20 0.00 0.00 0.00 0.00 47.33 46.79 2spl h GLY 129 CO 0.07 0.42 -0.67 0.00 0.00 0.00 0.00 176.54 176.35 2spl h ALA 130 N 1.42 0.43 -0.58 3.60 0.00 -0.66 -0.94 119.26 122.53 2spl h ALA 130 Ca 0.17 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2spl h ALA 130 Cb 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2spl h ALA 130 CO -0.01 0.69 -0.00 1.98 0.00 0.00 0.00 179.25 181.91 2spl h MET 131 N 0.55 1.03 -0.82 0.00 -1.53 -0.80 -0.21 114.93 113.15 2spl h MET 131 Ca -0.02 -0.33 -0.01 0.00 -3.44 0.00 0.00 59.70 55.90 2spl h MET 131 Cb 1.28 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 32.20 2spl h MET 131 CO 0.14 1.02 0.48 -0.97 0.14 0.00 0.00 176.91 177.72 2spl h ASN 132 N 0.92 0.99 -0.41 1.39 -1.24 -0.80 -0.96 115.58 115.48 2spl h ASN 132 Ca 0.16 -0.07 -0.07 0.00 0.71 0.00 0.00 56.30 57.03 2spl h ASN 132 Cb 0.56 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 2spl h ASN 132 CO 0.03 0.77 0.01 0.50 -1.29 0.00 0.00 177.43 177.46 2spl h LYS 133 N 1.13 0.79 -0.24 6.67 3.64 -0.76 -0.56 116.57 127.25 2spl h LYS 133 Ca 0.29 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 2spl h LYS 133 Cb -0.03 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2spl h LYS 133 CO -0.05 0.79 -0.40 0.00 -2.27 0.00 0.00 179.45 177.52 2spl h ALA 134 N 1.27 0.86 0.00 5.00 0.00 -0.46 -0.72 119.26 125.20 2spl h ALA 134 Ca 0.15 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 2spl h ALA 134 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2spl h ALA 134 CO 0.02 0.64 -0.82 -0.07 0.00 0.00 0.00 179.25 179.02 2spl h LEU 135 N 0.46 0.00 -0.59 0.00 3.38 -1.05 -1.17 115.31 116.34 2spl h LEU 135 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2spl h LEU 135 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2spl h LEU 135 CO 0.08 0.82 -0.29 -0.33 0.09 0.00 0.00 178.44 178.81 2spl h GLU 136 N 0.00 0.81 -0.40 1.13 5.08 -0.84 -0.17 114.58 120.19 2spl h GLU 136 Ca -0.01 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 2spl h GLU 136 Cb 1.54 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 2spl h GLU 136 CO 0.11 1.00 0.17 1.25 -1.00 0.00 0.00 179.01 180.53 2spl h LEU 137 N 0.69 0.55 -0.48 1.33 5.85 -0.88 0.09 115.31 122.47 2spl h LEU 137 Ca 0.08 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2spl h LEU 137 Cb 0.83 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2spl h LEU 137 CO 0.07 0.56 0.30 0.15 -0.34 0.00 0.00 178.44 179.18 2spl h PHE 138 N 0.51 0.57 -0.71 1.25 3.57 -1.01 -0.30 116.94 120.81 2spl h PHE 138 Ca 0.13 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 2spl h PHE 138 Cb 0.18 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2spl h PHE 138 CO -0.00 0.35 0.17 0.00 -2.23 0.00 0.00 178.31 176.60 2spl h ARG 139 N 0.62 1.14 -0.41 1.11 3.08 -0.80 0.58 114.38 119.70 2spl h ARG 139 Ca 0.18 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 2spl h ARG 139 Cb -0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2spl h ARG 139 CO -0.05 1.01 -0.26 -0.22 -1.07 0.00 0.00 179.97 179.38 2spl h LYS 140 N 1.08 0.86 -0.26 0.04 3.64 -0.76 0.76 116.57 121.93 2spl h LYS 140 Ca 0.22 -0.37 -0.18 0.00 -1.27 0.00 0.00 60.65 59.05 2spl h LYS 140 Cb 0.38 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2spl h LYS 140 CO 0.00 1.02 -0.56 -0.44 -2.27 0.00 0.00 179.45 177.20 2spl h ASP 141 N 0.74 0.90 -0.47 4.20 5.19 -0.79 -1.19 116.42 125.00 2spl h ASP 141 Ca 0.09 -0.49 -0.08 0.00 -0.62 0.00 0.00 57.03 55.93 2spl h ASP 141 Cb 0.80 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 2spl h ASP 141 CO 0.07 1.27 -0.03 0.40 -3.12 0.00 0.00 179.24 177.83 2spl h ILE 142 N 0.61 1.27 -0.72 0.35 1.08 -0.81 -1.86 117.51 117.42 2spl h ILE 142 Ca 0.01 -1.12 0.02 0.00 -0.39 0.00 0.00 64.86 63.38 2spl h ILE 142 Cb 1.16 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 2spl h ILE 142 CO 0.12 0.39 0.48 0.00 -0.69 0.00 0.00 178.15 178.44 2spl h ALA 143 N 0.91 1.53 -0.21 1.87 0.00 -0.50 0.12 119.26 122.97 2spl h ALA 143 Ca 0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2spl h ALA 143 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2spl h ALA 143 CO 0.03 0.42 -0.34 0.00 0.00 0.00 0.00 179.25 179.36 2spl h ALA 144 N 1.56 1.03 -0.06 0.00 0.00 -1.04 -2.14 119.26 118.61 2spl h ALA 144 Ca 0.27 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 2spl h ALA 144 Cb -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2spl h ALA 144 CO -0.07 0.59 -0.83 0.87 0.00 0.00 0.00 179.25 179.81 2spl h LYS 145 N 0.38 0.52 -0.53 0.00 6.56 -0.50 -2.44 116.57 120.55 2spl h LYS 145 Ca 0.04 -0.47 0.09 0.00 -1.06 0.00 0.00 60.65 59.25 2spl h LYS 145 Cb 0.77 0.11 -0.07 0.00 -0.57 0.00 0.00 32.23 32.48 2spl h LYS 145 CO 0.06 1.10 0.13 1.88 -2.06 0.00 0.00 179.45 180.56 2spl h TYR 146 N 0.33 0.21 -0.89 -1.35 -1.99 -0.40 -0.25 116.97 112.63 2spl h TYR 146 Ca -0.06 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 2spl h TYR 146 Cb 1.44 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 40.12 2spl h TYR 146 CO 0.06 0.01 0.55 -0.22 -0.00 0.00 0.00 178.16 178.56 2spl h LYS 147 N 0.27 1.19 -0.13 4.88 3.64 -1.10 -0.51 116.57 124.81 2spl h LYS 147 Ca 0.27 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2spl h LYS 147 Cb 0.36 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2spl h LYS 147 CO -0.33 0.82 -0.25 0.93 -2.27 0.00 0.00 179.45 178.35 2spl h GLU 148 N 1.22 0.23 0.00 1.90 5.08 -0.80 -1.98 114.58 120.22 2spl h GLU 148 Ca 0.32 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2spl h GLU 148 Cb -0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2spl h GLU 148 CO -0.06 0.47 -0.09 1.28 -1.00 0.00 0.00 179.01 179.61 2spl n LEU 149 N -4.17 0.62 0.00 1.33 4.77 -0.21 -4.93 117.00 114.42 2spl n LEU 149 Ca -0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2spl n LEU 149 Cb 0.36 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2spl n LEU 149 CO 0.39 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2spl n GLY 150 N 1.36 0.78 0.12 -0.72 0.00 -0.33 -4.98 105.19 101.42 2spl n GLY 150 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2spl n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2spl n TYR 151 N -1.53 0.00 -3.38 1.61 9.36 -0.45 -5.01 117.16 117.76 2spl n TYR 151 Ca 0.00 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.11 2spl n TYR 151 Cb 0.00 -0.84 -0.01 0.00 -0.63 0.00 0.00 39.34 37.86 2spl n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2spl n GLN 152 N -3.18 -0.91 0.00 2.98 -0.06 -1.02 -4.87 117.38 110.31 2spl n GLN 152 Ca -0.39 -0.16 0.12 0.00 -2.00 0.00 0.00 57.00 54.58 2spl n GLN 152 Cb 0.91 -0.53 0.20 0.00 -4.06 0.00 0.00 30.24 26.76 2spl n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27