#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mll s VAL 1 N 0.00 0.27 0.57 3.17 1.01 -1.26 -5.08 120.40 119.08 1mll s VAL 1 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1mll s VAL 1 Cb 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 1mll s VAL 1 CO 0.00 0.22 1.04 -0.76 0.00 0.00 0.00 175.10 175.60 1mll s LEU 2 N 1.75 3.55 0.73 3.92 1.02 -1.26 -5.07 118.68 123.32 1mll s LEU 2 Ca 0.01 1.77 -0.07 0.00 0.02 0.00 0.00 54.13 55.86 1mll s LEU 2 Cb -0.13 -4.53 0.07 0.00 0.02 0.00 0.00 46.19 41.63 1mll s LEU 2 CO -0.04 -1.01 1.04 -0.94 0.02 0.00 0.00 176.35 175.42 1mll s SER 3 N -2.78 4.66 0.25 2.29 1.04 -1.26 -4.87 113.70 113.02 1mll s SER 3 Ca 0.63 0.42 -0.00 0.00 0.48 0.00 0.00 55.95 57.47 1mll s SER 3 Cb -0.15 -1.00 0.31 0.00 0.10 0.00 0.00 66.02 65.28 1mll s SER 3 CO 0.34 -1.70 1.67 -0.08 0.98 0.00 0.00 173.24 174.45 1mll h GLU 4 N -0.69 0.58 -0.14 4.02 4.57 -1.99 -2.07 114.58 118.86 1mll h GLU 4 Ca -0.44 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 57.46 1mll h GLU 4 Cb 1.31 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1mll h GLU 4 CO 0.58 0.80 -0.12 0.78 -1.18 0.00 0.00 179.01 179.87 1mll h GLY 5 N 1.01 0.24 1.29 1.92 0.00 -2.00 -0.21 103.07 105.32 1mll h GLY 5 Ca 0.07 -0.14 -0.20 0.00 0.00 0.00 0.00 47.33 47.06 1mll h GLY 5 CO 0.06 0.13 -0.70 0.83 0.00 0.00 0.00 176.54 176.86 1mll h GLU 6 N 0.21 0.71 -0.12 4.80 5.08 -1.78 -2.43 114.58 121.06 1mll h GLU 6 Ca 0.04 -0.54 -0.09 0.00 -1.00 0.00 0.00 59.36 57.78 1mll h GLU 6 Cb 0.35 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1mll h GLU 6 CO 0.02 1.16 -0.31 -1.49 -1.00 0.00 0.00 179.01 177.38 1mll h TRP 7 N 0.51 0.26 -0.45 4.33 4.06 -0.97 -1.99 115.95 121.69 1mll h TRP 7 Ca -0.03 -0.05 -0.12 0.00 2.06 0.00 0.00 58.89 60.75 1mll h TRP 7 Cb 1.30 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.38 1mll h TRP 7 CO 0.07 0.52 -0.20 1.96 -3.56 0.00 0.00 178.44 177.23 1mll h GLN 8 N 0.20 0.90 -0.29 0.49 4.20 -0.65 0.15 115.11 120.12 1mll h GLN 8 Ca 0.03 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 1mll h GLN 8 Cb 0.66 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1mll h GLN 8 CO 0.05 1.02 -0.03 -0.07 -0.67 0.00 0.00 178.83 179.12 1mll h LEU 9 N 0.79 0.42 -0.08 1.46 3.38 -0.97 0.48 115.31 120.79 1mll h LEU 9 Ca 0.11 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 1mll h LEU 9 Cb 0.75 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1mll h LEU 9 CO 0.06 0.51 -0.84 0.58 0.09 0.00 0.00 178.44 178.84 1mll h VAL 10 N 0.43 1.30 0.00 1.22 2.07 -0.62 -2.58 116.25 118.06 1mll h VAL 10 Ca 0.09 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1mll h VAL 10 Cb 0.33 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1mll h VAL 10 CO 0.01 0.64 -0.16 -0.07 0.02 0.00 0.00 177.57 178.02 1mll h LEU 11 N 0.39 0.00 -0.09 2.57 3.38 -0.59 -0.92 115.31 120.05 1mll h LEU 11 Ca -0.08 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1mll h LEU 11 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1mll h LEU 11 CO 0.17 0.01 -0.31 -0.74 0.09 0.00 0.00 178.44 177.66 1mll h HIS 12 N 0.00 0.49 -0.01 1.13 2.76 -0.80 -1.26 115.15 117.46 1mll h HIS 12 Ca 0.00 -0.20 -0.16 0.00 -2.20 0.00 0.00 60.37 57.81 1mll h HIS 12 Cb 0.87 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 1mll h HIS 12 CO 0.00 0.92 -0.75 -0.24 -1.30 0.00 0.00 177.93 176.56 1mll h VAL 13 N -0.09 1.51 -0.73 5.26 3.04 -1.26 -3.04 116.25 120.94 1mll h VAL 13 Ca -0.01 -2.49 -0.02 0.00 -1.01 0.00 0.00 66.70 63.17 1mll h VAL 13 Cb 0.94 2.35 -0.03 0.00 -2.01 0.00 0.00 31.29 32.53 1mll h VAL 13 CO 0.07 0.72 0.38 -0.25 -1.01 0.00 0.00 177.57 177.47 1mll h TRP 14 N 0.04 1.01 -0.43 3.17 2.91 -1.03 -1.61 115.95 120.02 1mll h TRP 14 Ca -0.01 -0.03 0.12 0.00 1.13 0.00 0.00 58.89 60.10 1mll h TRP 14 Cb 1.32 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 29.63 1mll h TRP 14 CO 0.01 0.71 0.31 0.00 -1.03 0.00 0.00 178.44 178.44 1mll h ALA 15 N 1.39 2.40 0.08 2.65 0.00 -1.10 -0.52 119.26 124.17 1mll h ALA 15 Ca 0.26 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1mll h ALA 15 Cb 0.06 0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1mll h ALA 15 CO -0.04 -0.53 -0.67 0.87 0.00 0.00 0.00 179.25 178.88 1mll h LYS 16 N 0.00 0.31 -0.43 0.00 1.79 -1.38 -3.15 116.57 113.71 1mll h LYS 16 Ca 0.20 -0.44 0.08 0.00 -2.18 0.00 0.00 60.65 58.31 1mll h LYS 16 Cb 0.82 0.15 -0.08 0.00 -1.58 0.00 0.00 32.23 31.54 1mll h LYS 16 CO -0.00 1.17 -0.05 0.28 -1.08 0.00 0.00 179.45 179.76 1mll h VAL 17 N -0.33 0.62 0.00 0.50 2.07 -0.73 -2.53 116.25 115.85 1mll h VAL 17 Ca -0.11 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1mll h VAL 17 Cb 1.47 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1mll h VAL 17 CO 0.13 0.01 0.04 -0.62 0.02 0.00 0.00 177.57 177.14 1mll n GLU 18 N -5.27 0.00 0.16 1.57 1.02 -0.26 -1.31 120.64 116.55 1mll n GLU 18 Ca 0.03 0.33 0.13 0.00 -0.02 0.00 0.00 57.16 57.64 1mll n GLU 18 Cb 0.23 -1.54 0.44 0.00 -0.02 0.00 0.00 31.44 30.55 1mll n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mll h ALA 19 N 1.81 1.00 -0.95 0.62 0.00 -1.47 -3.36 119.26 116.91 1mll h ALA 19 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 1mll h ALA 19 Cb 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.60 1mll h ALA 19 CO 0.00 0.00 -0.79 -3.47 0.00 0.00 0.00 179.25 174.99 1mll n ASP 20 N -2.56 -1.42 -0.07 0.00 2.03 -0.43 -5.01 116.55 109.09 1mll n ASP 20 Ca 0.03 -3.03 -0.08 0.00 0.52 0.00 0.00 54.79 52.23 1mll n ASP 20 Cb 0.37 0.66 -0.01 0.00 -0.72 0.00 0.00 41.12 41.42 1mll n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mll h VAL 21 N 2.51 0.95 -0.43 5.18 2.07 -1.71 -2.06 116.25 122.75 1mll h VAL 21 Ca -0.04 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1mll h VAL 21 Cb 0.96 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1mll h VAL 21 CO 0.39 0.04 0.25 0.00 0.02 0.00 0.00 177.57 178.27 1mll h ALA 22 N 1.15 0.55 0.02 1.67 0.00 -1.91 0.14 119.26 120.87 1mll h ALA 22 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1mll h ALA 22 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1mll h ALA 22 CO -0.10 0.06 -0.17 0.78 0.00 0.00 0.00 179.25 179.82 1mll h GLY 23 N 0.57 -0.23 0.94 0.00 0.00 -1.93 -1.62 103.07 100.81 1mll h GLY 23 Ca 0.15 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1mll h GLY 23 CO -0.03 -0.16 0.14 0.45 0.00 0.00 0.00 176.54 176.95 1mll h HIS 24 N -0.28 0.65 -0.96 5.60 3.86 -1.26 -1.55 115.15 121.20 1mll h HIS 24 Ca 0.05 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1mll h HIS 24 Cb 0.34 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.57 1mll h HIS 24 CO -0.21 0.59 0.64 0.78 0.86 0.00 0.00 177.93 180.58 1mll h GLY 25 N 0.52 1.38 0.67 2.45 0.00 -0.80 -2.08 103.07 105.21 1mll h GLY 25 Ca 0.13 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1mll h GLY 25 CO -0.01 0.46 -0.03 -1.61 0.00 0.00 0.00 176.54 175.35 1mll h GLN 26 N 1.26 0.15 -0.49 4.80 4.15 -1.28 -2.00 115.11 121.71 1mll h GLN 26 Ca 0.37 -0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.78 1mll h GLN 26 Cb -0.08 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.56 1mll h GLN 26 CO -0.10 0.51 0.21 -0.44 -1.93 0.00 0.00 178.83 177.08 1mll h ASP 27 N -0.21 0.26 -0.44 -0.69 5.19 -1.14 -1.56 116.42 117.83 1mll h ASP 27 Ca 0.02 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1mll h ASP 27 Cb 0.46 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1mll h ASP 27 CO 0.01 0.18 0.27 0.40 -3.12 0.00 0.00 179.24 176.98 1mll h ILE 28 N 0.41 1.13 -0.52 0.35 2.04 -1.36 -0.78 117.51 118.78 1mll h ILE 28 Ca 0.23 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 1mll h ILE 28 Cb 0.20 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1mll h ILE 28 CO -0.20 0.13 -0.11 -0.07 0.00 0.00 0.00 178.15 177.90 1mll h LEU 29 N 0.58 1.00 -0.57 1.44 3.38 -1.06 -0.99 115.31 119.10 1mll h LEU 29 Ca 0.16 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1mll h LEU 29 Cb -0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1mll h LEU 29 CO -0.03 1.13 0.27 0.40 0.09 0.00 0.00 178.44 180.29 1mll h ILE 30 N 0.87 1.21 -0.37 1.22 2.04 -1.29 -0.77 117.51 120.42 1mll h ILE 30 Ca 0.13 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1mll h ILE 30 Cb 0.68 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1mll h ILE 30 CO 0.05 0.24 0.23 -0.09 0.00 0.00 0.00 178.15 178.58 1mll h ARG 31 N 0.78 0.49 -0.24 2.37 9.65 -0.99 0.89 114.38 127.33 1mll h ARG 31 Ca 0.20 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 1mll h ARG 31 Cb 0.13 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 1mll h ARG 31 CO -0.02 0.36 0.00 1.25 2.80 0.00 0.00 179.97 184.36 1mll h LEU 32 N 0.48 -0.08 -1.18 3.80 5.85 -0.78 -0.36 115.31 123.04 1mll h LEU 32 Ca 0.13 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 1mll h LEU 32 Cb -0.02 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1mll h LEU 32 CO -0.03 -0.01 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.48 1mll h PHE 33 N 0.08 0.16 0.03 1.25 0.04 -0.97 0.11 116.94 117.63 1mll h PHE 33 Ca 0.11 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1mll h PHE 33 Cb 0.14 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1mll h PHE 33 CO -0.19 0.46 -0.01 0.87 -0.60 0.00 0.00 178.31 178.84 1mll h LYS 34 N 0.13 -0.04 -0.85 1.51 1.57 -0.58 -3.05 116.57 115.26 1mll h LYS 34 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1mll h LYS 34 Cb 0.64 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 1mll h LYS 34 CO 0.05 0.63 0.43 0.77 -0.57 0.00 0.00 179.45 180.76 1mll h SER 35 N -0.77 1.11 -2.62 0.86 0.02 -0.90 -3.39 113.55 107.86 1mll h SER 35 Ca -0.00 -0.13 -0.60 0.00 -0.84 0.00 0.00 61.79 60.22 1mll h SER 35 Cb 0.69 -0.28 -0.39 0.00 0.14 0.00 0.00 62.40 62.55 1mll h SER 35 CO 0.01 0.92 -0.85 -1.00 -1.14 0.00 0.00 176.83 174.77 1mll s HIS 36 N -5.73 1.81 0.60 3.45 3.76 0.35 -5.00 115.29 114.53 1mll s HIS 36 Ca -0.13 -2.59 0.32 0.00 -0.15 0.00 0.00 55.06 52.51 1mll s HIS 36 Cb 0.16 -1.46 1.92 0.00 1.11 0.00 0.00 32.58 34.31 1mll s HIS 36 CO 0.83 -0.75 2.27 -1.35 -0.85 0.00 0.00 174.74 174.90 1mll h PRO 37 N 5.66 0.00 0.00 8.40 0.11 -1.72 -0.05 132.00 144.40 1mll h PRO 37 Ca 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1mll h PRO 37 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1mll h PRO 37 CO 0.47 0.00 -0.10 1.05 -0.21 0.00 0.00 178.00 179.21 1mll h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -2.06 114.58 120.73 1mll h GLU 38 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 1mll h GLU 38 Cb 0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.10 1mll h GLU 38 CO 0.00 0.10 -0.26 1.79 0.05 0.00 0.00 179.01 180.69 1mll h THR 39 N 0.00 0.81 0.00 -1.06 1.35 -1.34 -2.58 112.91 110.09 1mll h THR 39 Ca -0.00 -1.07 -0.03 0.00 -0.55 0.00 0.00 66.41 64.76 1mll h THR 39 Cb 0.24 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1mll h THR 39 CO 0.01 0.26 -0.14 0.25 -0.25 0.00 0.00 175.52 175.65 1mll h LEU 40 N 0.00 0.00 -1.96 3.87 5.85 -1.53 -2.34 115.31 119.20 1mll h LEU 40 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1mll h LEU 40 Cb 0.63 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1mll h LEU 40 CO 0.03 0.14 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.84 1mll h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.58 -1.19 114.58 118.14 1mll h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mll h GLU 41 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1mll h GLU 41 CO 0.02 0.11 0.00 1.63 -1.00 0.00 0.00 179.01 179.77 1mll n LYS 42 N -3.73 0.07 -3.44 2.33 4.76 -0.88 -4.48 118.16 112.79 1mll n LYS 42 Ca -0.02 0.23 -0.43 0.00 -2.87 0.00 0.00 58.31 55.22 1mll n LYS 42 Cb 0.22 -1.61 -0.07 0.00 -1.84 0.00 0.00 35.03 31.73 1mll n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mll s PHE 43 N -3.08 3.34 0.41 2.13 0.40 -0.45 -4.88 117.98 115.85 1mll s PHE 43 Ca 0.08 -1.57 0.33 0.00 -0.60 0.00 0.00 56.93 55.17 1mll s PHE 43 Cb 0.12 -3.61 1.67 0.00 0.51 0.00 0.00 43.02 41.70 1mll s PHE 43 CO 0.38 -1.00 2.13 -0.44 0.70 0.00 0.00 175.22 176.99 1mll h ASP 44 N 8.66 0.00 1.23 1.36 5.19 -1.83 0.10 116.42 131.13 1mll h ASP 44 Ca -0.25 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.05 1mll h ASP 44 Cb 1.09 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 1mll h ASP 44 CO 0.94 0.06 -0.49 0.03 -3.12 0.00 0.00 179.24 176.66 1mll h ARG 45 N 0.00 0.00 0.00 3.56 3.08 -1.94 -3.36 114.38 115.72 1mll h ARG 45 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mll h ARG 45 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1mll h ARG 45 CO 0.01 0.49 -1.25 1.19 -1.07 0.00 0.00 179.97 179.34 1mll n PHE 46 N -3.34 0.00 -0.18 3.04 3.72 0.18 -4.78 117.46 116.10 1mll n PHE 46 Ca 0.01 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.57 1mll n PHE 46 Cb 0.67 -0.16 0.30 0.00 -0.94 0.00 0.00 39.48 39.35 1mll n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1mll n LYS 47 N -1.71 -0.03 0.06 -1.08 4.81 -0.11 -1.69 118.16 118.40 1mll n LYS 47 Ca -0.01 0.76 0.11 0.00 -0.87 0.00 0.00 58.31 58.30 1mll n LYS 47 Cb 0.20 -1.35 0.44 0.00 0.02 0.00 0.00 35.03 34.34 1mll n LYS 47 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1mll n HIS 48 N -4.29 0.40 -2.11 5.64 1.44 -1.26 -4.87 115.22 110.17 1mll n HIS 48 Ca 0.20 0.14 -0.42 0.00 -2.01 0.00 0.00 57.72 55.63 1mll n HIS 48 Cb 0.67 -0.73 -0.03 0.00 0.12 0.00 0.00 29.99 30.03 1mll n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mll s LEU 49 N -3.70 4.33 -0.16 2.39 1.43 -0.68 -4.92 118.68 117.38 1mll s LEU 49 Ca 0.08 2.24 0.13 0.00 -1.03 0.00 0.00 54.13 55.56 1mll s LEU 49 Cb 0.12 -3.56 -0.24 0.00 0.03 0.00 0.00 46.19 42.54 1mll s LEU 49 CO 0.42 -0.79 0.22 0.29 0.23 0.00 0.00 176.35 176.73 1mll n LYS 50 N 5.52 0.67 -4.55 1.70 5.02 -1.26 -5.01 118.16 120.25 1mll n LYS 50 Ca 0.14 0.11 -0.25 0.00 -2.02 0.00 0.00 58.31 56.29 1mll n LYS 50 Cb 0.42 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.72 1mll n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mll s THR 51 N -2.53 1.33 0.08 -0.18 -4.23 -1.26 -5.02 115.64 103.83 1mll s THR 51 Ca -0.12 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.62 1mll s THR 51 Cb 0.07 -2.71 0.23 0.00 1.34 0.00 0.00 72.50 71.42 1mll s THR 51 CO 0.80 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 176.58 1mll h GLU 52 N 1.88 0.00 -0.03 3.99 4.81 -1.99 -0.59 114.58 122.65 1mll h GLU 52 Ca -0.41 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.67 1mll h GLU 52 Cb 1.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 1mll h GLU 52 CO 0.72 0.24 -0.63 0.00 -0.73 0.00 0.00 179.01 178.60 1mll h ALA 53 N 1.76 0.89 -0.11 2.92 0.00 -1.99 0.07 119.26 122.79 1mll h ALA 53 Ca -0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.13 1mll h ALA 53 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1mll h ALA 53 CO 0.03 0.76 -0.77 0.93 0.00 0.00 0.00 179.25 180.21 1mll h GLU 54 N 0.09 0.61 -0.50 0.00 5.08 -1.56 -2.41 114.58 115.89 1mll h GLU 54 Ca -0.01 -0.51 -0.05 0.00 -1.00 0.00 0.00 59.36 57.79 1mll h GLU 54 Cb 1.13 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1mll h GLU 54 CO 0.09 1.13 0.10 0.52 -1.00 0.00 0.00 179.01 179.85 1mll h MET 55 N 0.41 0.81 -0.45 2.33 2.86 -0.70 -2.36 114.93 117.83 1mll h MET 55 Ca -0.04 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.34 1mll h MET 55 Cb 1.37 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 1mll h MET 55 CO 0.15 0.79 0.09 0.87 1.06 0.00 0.00 176.91 179.87 1mll h LYS 56 N 0.69 0.69 0.00 1.72 1.57 -0.90 -2.03 116.57 118.31 1mll h LYS 56 Ca 0.15 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1mll h LYS 56 Cb 0.36 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1mll h LYS 56 CO 0.01 0.65 0.00 0.00 -0.57 0.00 0.00 179.45 179.53 1mll n ALA 57 N -2.47 2.45 -2.50 3.86 0.00 -0.92 -4.83 120.51 116.10 1mll n ALA 57 Ca 0.03 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 1mll n ALA 57 Cb 0.22 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1mll n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mll s SER 58 N -2.62 6.91 0.13 0.00 0.15 -0.77 -4.89 113.70 112.62 1mll s SER 58 Ca 0.26 1.44 -0.09 0.00 0.70 0.00 0.00 55.95 58.26 1mll s SER 58 Cb 0.20 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.89 1mll s SER 58 CO 0.46 -0.83 1.37 -0.33 1.20 0.00 0.00 173.24 175.11 1mll h GLU 59 N 8.28 0.71 -0.52 5.44 4.39 -1.89 -2.54 114.58 128.45 1mll h GLU 59 Ca -0.24 -0.54 0.06 0.00 0.34 0.00 0.00 59.36 58.98 1mll h GLU 59 Cb 1.09 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.79 1mll h GLU 59 CO 0.99 1.16 0.21 -0.44 -1.16 0.00 0.00 179.01 179.78 1mll h ASP 60 N 0.50 0.25 -0.51 1.42 5.19 -1.97 -1.03 116.42 120.26 1mll h ASP 60 Ca -0.03 0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.45 1mll h ASP 60 Cb 1.32 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.82 1mll h ASP 60 CO 0.14 0.17 0.32 0.25 -3.12 0.00 0.00 179.24 177.00 1mll h LEU 61 N 0.41 0.52 -1.42 1.55 5.85 -1.88 -1.36 115.31 118.98 1mll h LEU 61 Ca 0.24 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1mll h LEU 61 Cb 0.23 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1mll h LEU 61 CO -0.22 0.37 0.12 0.50 -0.34 0.00 0.00 178.44 178.87 1mll h LYS 62 N 0.64 0.51 -0.32 1.25 3.64 -1.27 0.38 116.57 121.39 1mll h LYS 62 Ca 0.20 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 1mll h LYS 62 Cb -0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1mll h LYS 62 CO -0.07 0.44 -0.41 0.87 -2.27 0.00 0.00 179.45 178.00 1mll h LYS 63 N 0.50 0.80 -0.26 1.90 1.57 -0.78 -2.55 116.57 117.76 1mll h LYS 63 Ca 0.12 -0.43 -0.13 0.00 -1.87 0.00 0.00 60.65 58.35 1mll h LYS 63 Cb 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1mll h LYS 63 CO -0.01 1.06 -0.36 1.25 -0.57 0.00 0.00 179.45 180.82 1mll h HIS 64 N 0.65 0.67 -0.34 -1.35 2.76 -0.92 -1.80 115.15 114.83 1mll h HIS 64 Ca 0.05 -0.18 0.02 0.00 -2.20 0.00 0.00 60.37 58.05 1mll h HIS 64 Cb 0.98 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 1mll h HIS 64 CO 0.05 0.86 0.23 0.78 -1.30 0.00 0.00 177.93 178.55 1mll h GLY 65 N 1.04 0.43 0.79 5.26 0.00 -0.54 -0.15 103.07 109.90 1mll h GLY 65 Ca 0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 1mll h GLY 65 CO 0.07 0.14 -0.22 -2.08 0.00 0.00 0.00 176.54 174.45 1mll h VAL 66 N 0.39 1.35 -0.36 4.60 2.07 -1.04 -1.43 116.25 121.82 1mll h VAL 66 Ca 0.13 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1mll h VAL 66 Cb 0.05 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1mll h VAL 66 CO -0.03 0.43 0.18 0.74 0.02 0.00 0.00 177.57 178.91 1mll h THR 67 N 0.07 0.99 -0.43 2.57 2.02 -0.66 -0.76 112.91 116.70 1mll h THR 67 Ca 0.02 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 1mll h THR 67 Cb 0.78 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1mll h THR 67 CO 0.05 0.07 0.01 0.15 0.37 0.00 0.00 175.52 176.17 1mll h PHE 68 N 0.38 0.83 -0.30 3.16 3.57 -1.01 -2.50 116.94 121.07 1mll h PHE 68 Ca 0.15 -0.14 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 1mll h PHE 68 Cb 0.05 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1mll h PHE 68 CO -0.10 0.82 -0.47 -0.07 -2.23 0.00 0.00 178.31 176.26 1mll h LEU 69 N 0.61 0.94 -0.76 0.59 3.38 -1.19 -1.85 115.31 117.04 1mll h LEU 69 Ca 0.12 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1mll h LEU 69 Cb 0.48 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1mll h LEU 69 CO 0.02 1.27 0.48 0.74 0.09 0.00 0.00 178.44 181.04 1mll h THR 70 N 0.64 1.09 -0.28 0.22 2.02 -1.14 -0.40 112.91 115.07 1mll h THR 70 Ca 0.03 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1mll h THR 70 Cb 1.07 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1mll h THR 70 CO 0.11 0.17 -0.13 0.00 0.37 0.00 0.00 175.52 176.03 1mll h ALA 71 N 1.33 1.25 -0.10 6.16 0.00 -1.20 -2.00 119.26 124.71 1mll h ALA 71 Ca 0.31 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1mll h ALA 71 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1mll h ALA 71 CO -0.12 0.49 -0.69 1.25 0.00 0.00 0.00 179.25 180.18 1mll h LEU 72 N 0.44 0.49 -0.27 0.00 5.85 -1.13 -2.70 115.31 117.99 1mll h LEU 72 Ca 0.08 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1mll h LEU 72 Cb 0.50 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1mll h LEU 72 CO 0.03 1.03 0.10 1.23 -0.34 0.00 0.00 178.44 180.50 1mll h GLY 73 N 1.25 0.43 1.50 3.75 0.00 -0.86 -0.98 103.07 108.16 1mll h GLY 73 Ca -0.02 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.10 1mll h GLY 73 CO 0.12 0.22 0.28 0.00 0.00 0.00 0.00 176.54 177.16 1mll h ALA 74 N 0.95 1.80 -0.18 3.60 0.00 -1.18 -1.48 119.26 122.76 1mll h ALA 74 Ca 0.09 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 1mll h ALA 74 Cb 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1mll h ALA 74 CO -0.01 0.16 -0.71 0.82 0.00 0.00 0.00 179.25 179.51 1mll h ILE 75 N 0.48 1.28 -0.00 0.00 2.04 -1.08 -3.11 117.51 117.12 1mll h ILE 75 Ca 0.17 -1.91 -0.10 0.00 1.00 0.00 0.00 64.86 64.02 1mll h ILE 75 Cb 0.08 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1mll h ILE 75 CO -0.04 0.61 -0.49 -0.07 0.00 0.00 0.00 178.15 178.16 1mll h LEU 76 N 0.55 0.01 -0.69 1.44 3.38 -0.94 -2.03 115.31 117.03 1mll h LEU 76 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1mll h LEU 76 Cb 1.34 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1mll h LEU 76 CO 0.15 0.50 0.00 0.11 0.09 0.00 0.00 178.44 179.29 1mll h LYS 77 N 0.01 0.00 0.00 1.13 1.57 -1.23 -1.10 116.57 116.95 1mll h LYS 77 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mll h LYS 77 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1mll h LYS 77 CO 0.06 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.81 1mll h LYS 78 N 0.00 0.00 -5.90 3.15 1.79 -1.30 -3.48 116.57 110.83 1mll h LYS 78 Ca 0.00 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.04 1mll h LYS 78 Cb 0.58 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.29 1mll h LYS 78 CO 0.00 0.00 -0.70 1.63 -1.08 0.00 0.00 179.45 179.30 1mll n LYS 79 N -2.34 -6.68 0.00 3.15 5.02 -0.42 -1.85 118.16 115.04 1mll n LYS 79 Ca 0.02 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1mll n LYS 79 Cb 0.27 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.57 1mll n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mll n GLY 80 N -1.83 2.70 2.83 0.72 0.00 -1.26 -4.96 105.19 103.39 1mll n GLY 80 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1mll n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mll n HIS 81 N -1.52 2.55 -0.34 1.61 8.25 -0.77 -4.66 115.22 120.33 1mll n HIS 81 Ca 0.00 -2.66 0.03 0.00 -0.26 0.00 0.00 57.72 54.84 1mll n HIS 81 Cb 0.00 -1.51 0.06 0.00 1.12 0.00 0.00 29.99 29.66 1mll n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mll n HIS 82 N 1.84 0.06 -0.25 4.41 1.44 -1.26 -4.73 115.22 116.74 1mll n HIS 82 Ca 0.38 -0.65 0.04 0.00 -2.01 0.00 0.00 57.72 55.48 1mll n HIS 82 Cb 0.32 -0.08 0.15 0.00 0.12 0.00 0.00 29.99 30.49 1mll n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1mll h GLU 83 N 0.20 0.10 -0.09 -1.40 3.07 -1.99 -0.88 114.58 113.60 1mll h GLU 83 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1mll h GLU 83 Cb 0.68 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1mll h GLU 83 CO 0.01 0.07 0.03 0.00 -1.40 0.00 0.00 179.01 177.71 1mll h ALA 84 N 1.68 0.12 -0.28 3.43 0.00 -2.01 -2.59 119.26 119.62 1mll h ALA 84 Ca 0.40 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1mll h ALA 84 Cb 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1mll h ALA 84 CO -0.64 -0.28 0.19 0.93 0.00 0.00 0.00 179.25 179.45 1mll h GLU 85 N -0.04 0.22 0.00 0.00 3.07 -1.79 -3.24 114.58 112.81 1mll h GLU 85 Ca 0.03 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1mll h GLU 85 Cb 0.21 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1mll h GLU 85 CO -0.00 0.15 -0.17 1.25 -1.40 0.00 0.00 179.01 178.83 1mll h LEU 86 N 0.23 0.00 -0.14 1.33 5.85 -0.78 -3.36 115.31 118.44 1mll h LEU 86 Ca 0.12 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1mll h LEU 86 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1mll h LEU 86 CO -0.02 0.17 0.02 0.11 -0.34 0.00 0.00 178.44 178.38 1mll h LYS 87 N 0.00 0.23 0.00 1.25 1.57 -1.54 0.65 116.57 118.72 1mll h LYS 87 Ca -0.00 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1mll h LYS 87 Cb 0.99 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1mll h LYS 87 CO 0.02 0.41 -0.50 -1.00 -0.57 0.00 0.00 179.45 177.82 1mll h PRO 88 N 0.00 0.00 -0.14 3.15 0.13 -1.77 -0.97 132.00 132.41 1mll h PRO 88 Ca 0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.00 1mll h PRO 88 Cb 0.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.43 1mll h PRO 88 CO 0.00 0.50 -0.59 1.25 -0.23 0.00 0.00 178.00 178.93 1mll h LEU 89 N 0.00 0.76 -0.68 1.56 7.12 -1.63 -1.66 115.31 120.78 1mll h LEU 89 Ca -0.00 -0.62 -0.09 0.00 0.13 0.00 0.00 57.88 57.30 1mll h LEU 89 Cb 1.02 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.90 1mll h LEU 89 CO 0.06 1.26 0.04 0.00 -0.13 0.00 0.00 178.44 179.68 1mll h ALA 90 N 0.52 0.90 -0.36 1.25 0.00 -0.57 -1.47 119.26 119.54 1mll h ALA 90 Ca -0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1mll h ALA 90 Cb 1.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1mll h ALA 90 CO 0.12 0.66 0.03 0.37 0.00 0.00 0.00 179.25 180.44 1mll h GLN 91 N 0.98 0.61 -0.19 0.00 4.15 -1.09 -0.40 115.11 119.16 1mll h GLN 91 Ca 0.18 -0.18 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 1mll h GLN 91 Cb 0.50 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1mll h GLN 91 CO 0.02 0.70 -0.56 0.66 -1.93 0.00 0.00 178.83 177.73 1mll h SER 92 N 0.43 0.83 0.80 -0.69 4.64 -1.24 -1.24 113.55 117.08 1mll h SER 92 Ca 0.10 -0.58 -0.07 0.00 -0.47 0.00 0.00 61.79 60.78 1mll h SER 92 Cb 0.41 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1mll h SER 92 CO 0.01 1.26 -0.32 0.45 -0.87 0.00 0.00 176.83 177.37 1mll h HIS 93 N 0.43 0.00 0.15 4.77 3.86 -1.16 -0.11 115.15 123.09 1mll h HIS 93 Ca -0.01 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.86 1mll h HIS 93 Cb 1.18 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.65 1mll h HIS 93 CO 0.09 0.32 -1.67 0.00 0.86 0.00 0.00 177.93 177.52 1mll h ALA 94 N 1.68 0.25 0.00 2.45 0.00 -1.00 0.94 119.26 123.58 1mll h ALA 94 Ca -0.00 -1.16 -0.33 0.00 0.00 0.00 0.00 54.91 53.42 1mll h ALA 94 Cb 0.80 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1mll h ALA 94 CO 0.04 1.12 -2.25 2.41 0.00 0.00 0.00 179.25 180.57 1mll n THR 95 N -3.50 1.25 -0.10 0.00 -1.04 -0.47 -3.46 114.28 106.96 1mll n THR 95 Ca -0.21 -0.63 -0.19 0.00 -2.04 0.00 0.00 64.05 60.98 1mll n THR 95 Cb 1.06 -0.90 -0.09 0.00 -1.82 0.00 0.00 70.33 68.57 1mll n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1mll n LYS 96 N -2.90 0.55 0.04 -2.82 3.00 -0.43 -4.64 118.16 110.95 1mll n LYS 96 Ca -0.34 0.52 -0.01 0.00 -0.00 0.00 0.00 58.31 58.48 1mll n LYS 96 Cb 1.00 -1.70 -0.08 0.00 0.00 0.00 0.00 35.03 34.25 1mll n LYS 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1mll h HIS 97 N -1.00 0.00 -5.44 5.64 -0.00 -1.24 -3.49 115.15 109.62 1mll h HIS 97 Ca -0.32 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 59.94 1mll h HIS 97 Cb 1.19 0.00 0.07 0.00 -0.00 0.00 0.00 27.41 28.67 1mll h HIS 97 CO 0.00 0.64 -0.34 1.63 -0.00 0.00 0.00 177.93 179.86 1mll n LYS 98 N -2.96 -1.64 -3.71 2.45 4.01 -0.29 -4.98 118.16 111.04 1mll n LYS 98 Ca -0.09 1.25 -0.39 0.00 -0.51 0.00 0.00 58.31 58.57 1mll n LYS 98 Cb 0.86 -5.69 -0.12 0.00 -0.51 0.00 0.00 35.03 29.57 1mll n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1mll s ILE 99 N -3.14 4.02 0.62 -0.18 -1.09 0.17 -5.02 121.20 116.58 1mll s ILE 99 Ca 0.17 -1.03 -0.18 0.00 -2.23 0.00 0.00 60.65 57.38 1mll s ILE 99 Cb -0.02 -3.26 -0.02 0.00 -1.58 0.00 0.00 42.46 37.58 1mll s ILE 99 CO 0.75 -0.18 1.21 -2.16 -1.23 0.00 0.00 174.94 173.33 1mll s PRO 100 N 1.45 2.79 0.29 2.79 0.04 -1.26 -4.79 135.00 136.31 1mll s PRO 100 Ca -0.00 1.83 0.03 0.00 0.04 0.00 0.00 61.00 62.90 1mll s PRO 100 Cb -0.19 -1.91 0.65 0.00 0.04 0.00 0.00 34.50 33.09 1mll s PRO 100 CO 0.04 -1.35 1.79 0.82 0.04 0.00 0.00 177.00 178.34 1mll h ILE 101 N 0.63 0.78 -1.04 0.56 1.08 -1.97 0.16 117.51 117.70 1mll h ILE 101 Ca -0.50 -0.28 0.28 0.00 -0.39 0.00 0.00 64.86 63.97 1mll h ILE 101 Cb 1.30 -0.11 -0.12 0.00 -3.07 0.00 0.00 36.82 34.83 1mll h ILE 101 CO 0.54 0.15 0.64 0.50 -0.69 0.00 0.00 178.15 179.29 1mll h LYS 102 N 0.81 0.43 0.00 2.37 1.63 -2.00 -1.12 116.57 118.70 1mll h LYS 102 Ca 0.53 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 60.19 1mll h LYS 102 Cb 0.73 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 1mll h LYS 102 CO -0.34 0.29 -0.56 1.88 -3.45 0.00 0.00 179.45 177.26 1mll h TYR 103 N 0.45 0.00 -0.39 1.91 -1.99 -1.04 -2.04 116.97 113.86 1mll h TYR 103 Ca 0.65 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 61.27 1mll h TYR 103 Cb 1.48 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.19 1mll h TYR 103 CO -0.01 0.56 -0.18 -0.07 -0.00 0.00 0.00 178.16 178.46 1mll h LEU 104 N 0.00 0.74 -0.82 3.88 3.38 -1.17 -1.40 115.31 119.92 1mll h LEU 104 Ca -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1mll h LEU 104 Cb 1.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1mll h LEU 104 CO 0.07 0.92 0.43 -0.33 0.09 0.00 0.00 178.44 179.63 1mll h GLU 105 N 0.66 1.15 -0.60 1.13 5.08 -0.68 -1.93 114.58 119.39 1mll h GLU 105 Ca 0.10 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1mll h GLU 105 Cb 0.67 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1mll h GLU 105 CO 0.05 0.86 0.17 0.74 -1.00 0.00 0.00 179.01 179.83 1mll h PHE 106 N 1.14 0.98 -0.09 4.33 0.04 -1.06 -1.96 116.94 120.33 1mll h PHE 106 Ca 0.29 -0.11 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 1mll h PHE 106 Cb 0.06 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1mll h PHE 106 CO 0.01 0.82 -0.50 0.97 -0.60 0.00 0.00 178.31 179.01 1mll h ILE 107 N 0.86 1.35 -0.56 -0.55 2.10 -1.22 -1.83 117.51 117.65 1mll h ILE 107 Ca 0.19 -1.73 0.03 0.00 1.08 0.00 0.00 64.86 64.43 1mll h ILE 107 Cb 0.32 1.83 -0.04 0.00 -1.09 0.00 0.00 36.82 37.84 1mll h ILE 107 CO -0.00 0.51 0.34 0.28 -1.08 0.00 0.00 178.15 178.20 1mll h SER 108 N 0.18 0.55 -0.45 2.19 0.02 -0.90 0.27 113.55 115.41 1mll h SER 108 Ca 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1mll h SER 108 Cb 0.94 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1mll h SER 108 CO 0.08 0.38 0.22 -0.08 -1.14 0.00 0.00 176.83 176.29 1mll h GLU 109 N 0.67 0.68 -0.04 3.45 4.81 -1.12 -1.86 114.58 121.17 1mll h GLU 109 Ca 0.23 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.18 1mll h GLU 109 Cb 0.03 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1mll h GLU 109 CO -0.10 0.54 -0.80 0.00 -0.73 0.00 0.00 179.01 177.91 1mll h ALA 110 N 1.57 0.54 0.14 2.92 0.00 -0.54 -1.29 119.26 122.60 1mll h ALA 110 Ca 0.17 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1mll h ALA 110 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1mll h ALA 110 CO -0.02 0.81 -0.07 0.82 0.00 0.00 0.00 179.25 180.79 1mll h ILE 111 N 0.22 0.96 -0.93 0.00 2.04 -0.53 -1.69 117.51 117.57 1mll h ILE 111 Ca -0.04 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.48 1mll h ILE 111 Cb 1.40 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 38.63 1mll h ILE 111 CO 0.13 0.09 0.61 0.40 0.00 0.00 0.00 178.15 179.38 1mll h ILE 112 N -0.37 1.08 0.32 -0.67 2.04 -1.28 -1.58 117.51 117.04 1mll h ILE 112 Ca -0.02 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1mll h ILE 112 Cb 0.30 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1mll h ILE 112 CO 0.03 0.20 -0.15 -0.74 0.00 0.00 0.00 178.15 177.49 1mll h HIS 113 N 1.08 -0.40 -0.75 1.37 2.76 -1.03 -0.57 115.15 117.62 1mll h HIS 113 Ca 0.40 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.55 1mll h HIS 113 Cb 0.17 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 1mll h HIS 113 CO -0.00 -0.21 0.43 0.28 -1.30 0.00 0.00 177.93 177.13 1mll h VAL 114 N -0.49 1.22 -0.51 5.26 2.07 -1.08 -1.23 116.25 121.50 1mll h VAL 114 Ca -0.04 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 1mll h VAL 114 Cb 0.37 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1mll h VAL 114 CO 0.07 0.24 -0.10 -0.07 0.02 0.00 0.00 177.57 177.73 1mll h LEU 115 N 1.03 0.94 -0.46 2.57 3.38 -1.14 0.11 115.31 121.74 1mll h LEU 115 Ca 0.27 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1mll h LEU 115 Cb 0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1mll h LEU 115 CO -0.05 1.05 0.23 -0.74 0.09 0.00 0.00 178.44 179.03 1mll h HIS 116 N 0.84 0.43 -0.30 1.13 2.76 -1.01 0.62 115.15 119.63 1mll h HIS 116 Ca 0.14 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1mll h HIS 116 Cb 0.64 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 1mll h HIS 116 CO 0.04 0.22 0.11 0.77 -1.30 0.00 0.00 177.93 177.77 1mll h SER 117 N 0.47 0.43 0.97 3.26 0.02 -0.83 -3.30 113.55 114.57 1mll h SER 117 Ca 0.20 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1mll h SER 117 Cb 0.10 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1mll h SER 117 CO -0.14 0.50 -1.06 0.03 -1.14 0.00 0.00 176.83 175.02 1mll h ARG 118 N 0.34 0.00 -1.86 3.45 3.08 -0.87 -3.41 114.38 115.10 1mll h ARG 118 Ca 0.10 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.63 1mll h ARG 118 Cb 0.21 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.85 1mll h ARG 118 CO -0.01 0.09 -0.94 0.72 -1.07 0.00 0.00 179.97 178.77 1mll n HIS 119 N -2.77 2.17 -0.23 3.04 8.25 0.20 -4.95 115.22 120.93 1mll n HIS 119 Ca -0.02 -3.61 0.03 0.00 -0.26 0.00 0.00 57.72 53.86 1mll n HIS 119 Cb 0.63 -0.38 0.27 0.00 1.12 0.00 0.00 29.99 31.63 1mll n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mll h PRO 120 N 2.93 0.92 0.00 -0.41 0.13 -1.72 -0.29 132.00 133.55 1mll h PRO 120 Ca 0.11 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1mll h PRO 120 Cb 0.84 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1mll h PRO 120 CO 0.66 0.61 -0.04 0.78 -0.23 0.00 0.00 178.00 179.78 1mll h GLY 121 N 0.95 0.00 -1.23 1.56 0.00 -1.92 -2.79 103.07 99.64 1mll h GLY 121 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1mll h GLY 121 CO -0.10 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.14 1mll n ASN 122 N -3.13 2.65 -2.68 0.19 3.02 -0.46 -4.62 115.26 110.23 1mll n ASN 122 Ca 0.01 -1.83 -0.17 0.00 -0.03 0.00 0.00 54.58 52.57 1mll n ASN 122 Cb 0.39 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1mll n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1mll n PHE 123 N 0.62 1.94 -0.73 3.10 7.35 -0.25 -4.65 117.46 124.84 1mll n PHE 123 Ca 0.11 -3.09 -0.04 0.00 -0.76 0.00 0.00 57.45 53.67 1mll n PHE 123 Cb 0.39 -0.30 0.03 0.00 0.35 0.00 0.00 39.48 39.95 1mll n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mll n GLY 124 N -0.16 -2.09 0.27 7.13 0.00 -1.25 -4.62 105.19 104.48 1mll n GLY 124 Ca 0.22 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.69 1mll n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mll h ALA 125 N -2.06 0.93 -0.35 4.61 0.00 -1.98 0.14 119.26 120.55 1mll h ALA 125 Ca -0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1mll h ALA 125 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1mll h ALA 125 CO 0.04 0.20 -0.25 -0.44 0.00 0.00 0.00 179.25 178.80 1mll h ASP 126 N 0.85 0.71 -0.32 0.00 3.32 -1.99 0.69 116.42 119.67 1mll h ASP 126 Ca 0.29 -0.26 -0.17 0.00 0.02 0.00 0.00 57.03 56.90 1mll h ASP 126 Cb 0.04 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1mll h ASP 126 CO -0.12 0.94 -0.47 0.00 -1.72 0.00 0.00 179.24 177.87 1mll h ALA 127 N 1.12 0.52 -0.61 3.45 0.00 -1.75 -0.84 119.26 121.15 1mll h ALA 127 Ca 0.08 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1mll h ALA 127 Cb 0.74 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1mll h ALA 127 CO 0.06 0.68 0.12 0.37 0.00 0.00 0.00 179.25 180.48 1mll h GLN 128 N 0.71 0.97 -0.72 0.00 4.15 -0.53 -0.70 115.11 118.99 1mll h GLN 128 Ca 0.04 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.17 1mll h GLN 128 Cb 1.07 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1mll h GLN 128 CO 0.11 0.88 0.22 0.78 -1.93 0.00 0.00 178.83 178.89 1mll h GLY 129 N 1.03 1.20 0.95 2.39 0.00 -0.47 0.26 103.07 108.43 1mll h GLY 129 Ca 0.19 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 1mll h GLY 129 CO 0.00 0.66 -0.24 0.00 0.00 0.00 0.00 176.54 176.96 1mll h ALA 130 N 1.17 0.43 0.05 3.60 0.00 -0.77 -0.53 119.26 123.21 1mll h ALA 130 Ca 0.23 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1mll h ALA 130 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1mll h ALA 130 CO -0.01 0.40 -0.03 1.98 0.00 0.00 0.00 179.25 181.60 1mll h MET 131 N 0.43 -0.07 -0.86 0.00 -1.53 -0.98 -0.58 114.93 111.34 1mll h MET 131 Ca 0.05 0.00 0.16 0.00 -3.44 0.00 0.00 59.70 56.48 1mll h MET 131 Cb 0.80 0.02 -0.10 0.00 -0.55 0.00 0.00 31.60 31.76 1mll h MET 131 CO 0.06 -0.04 0.43 -0.97 0.14 0.00 0.00 176.91 176.54 1mll h ASN 132 N -0.08 0.51 -0.62 1.39 -1.24 -0.85 -0.17 115.58 114.52 1mll h ASN 132 Ca -0.01 0.10 -0.07 0.00 0.71 0.00 0.00 56.30 57.03 1mll h ASN 132 Cb 0.06 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1mll h ASN 132 CO 0.01 0.19 0.10 0.11 -1.29 0.00 0.00 177.43 176.56 1mll h LYS 133 N 0.60 1.03 -0.74 6.67 1.57 -0.65 0.74 116.57 125.79 1mll h LYS 133 Ca 0.48 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1mll h LYS 133 Cb 0.71 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1mll h LYS 133 CO -0.39 0.96 0.30 0.00 -0.57 0.00 0.00 179.45 179.76 1mll h ALA 134 N 1.03 0.96 -0.02 3.86 0.00 -0.74 0.15 119.26 124.50 1mll h ALA 134 Ca 0.19 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1mll h ALA 134 Cb 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1mll h ALA 134 CO 0.01 0.57 -0.69 -0.07 0.00 0.00 0.00 179.25 179.07 1mll h LEU 135 N 1.06 0.10 -0.76 0.00 3.38 -0.78 -1.52 115.31 116.79 1mll h LEU 135 Ca 0.25 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1mll h LEU 135 Cb 0.20 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1mll h LEU 135 CO -0.02 0.76 0.12 -0.33 0.09 0.00 0.00 178.44 179.05 1mll h GLU 136 N 0.06 1.06 -0.12 1.13 5.08 -0.64 0.23 114.58 121.37 1mll h GLU 136 Ca -0.01 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1mll h GLU 136 Cb 1.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1mll h GLU 136 CO 0.10 0.96 0.05 1.25 -1.00 0.00 0.00 179.01 180.37 1mll h LEU 137 N 0.99 0.16 -0.46 1.33 5.85 -0.79 -0.70 115.31 121.70 1mll h LEU 137 Ca 0.20 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1mll h LEU 137 Cb 0.41 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1mll h LEU 137 CO 0.01 0.27 0.22 0.15 -0.34 0.00 0.00 178.44 178.75 1mll h PHE 138 N 0.05 0.40 -0.38 1.25 3.57 -1.04 -1.25 116.94 119.54 1mll h PHE 138 Ca 0.04 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1mll h PHE 138 Cb 0.16 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1mll h PHE 138 CO -0.02 0.19 -0.01 0.00 -2.23 0.00 0.00 178.31 176.24 1mll h ARG 139 N 0.44 0.61 -0.18 1.11 3.08 -0.74 0.10 114.38 118.80 1mll h ARG 139 Ca 0.20 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1mll h ARG 139 Cb 0.13 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1mll h ARG 139 CO -0.15 0.64 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.03 1mll h LYS 140 N 0.57 0.40 -0.19 0.04 3.64 -0.82 0.96 116.57 121.18 1mll h LYS 140 Ca 0.12 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1mll h LYS 140 Cb 0.39 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1mll h LYS 140 CO 0.02 0.74 0.04 -0.44 -2.27 0.00 0.00 179.45 177.53 1mll h ASP 141 N 0.07 0.30 -0.86 4.20 5.19 -1.02 -2.07 116.42 122.22 1mll h ASP 141 Ca 0.03 -0.25 0.01 0.00 -0.62 0.00 0.00 57.03 56.21 1mll h ASP 141 Cb 0.64 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 1mll h ASP 141 CO 0.03 0.47 0.57 0.40 -3.12 0.00 0.00 179.24 177.59 1mll h ILE 142 N 0.11 1.21 -0.12 0.35 1.08 -0.74 -2.47 117.51 116.92 1mll h ILE 142 Ca 0.06 -0.40 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 1mll h ILE 142 Cb 0.29 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 1mll h ILE 142 CO 0.00 0.21 -0.08 0.00 -0.69 0.00 0.00 178.15 177.59 1mll h ALA 143 N 1.32 1.65 -0.00 1.87 0.00 -0.56 0.08 119.26 123.63 1mll h ALA 143 Ca 0.32 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1mll h ALA 143 Cb -0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1mll h ALA 143 CO -0.08 0.26 -0.77 0.00 0.00 0.00 0.00 179.25 178.66 1mll h ALA 144 N 1.75 0.71 -0.16 0.00 0.00 -1.23 -2.41 119.26 117.92 1mll h ALA 144 Ca 0.04 -0.69 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 1mll h ALA 144 Cb 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1mll h ALA 144 CO 0.01 0.93 -0.71 0.87 0.00 0.00 0.00 179.25 180.36 1mll h LYS 145 N 0.03 0.75 -0.86 0.00 1.79 -1.02 -2.01 116.57 115.25 1mll h LYS 145 Ca -0.01 -0.60 0.07 0.00 -2.18 0.00 0.00 60.65 57.93 1mll h LYS 145 Cb 1.36 0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 32.07 1mll h LYS 145 CO 0.10 1.21 0.53 1.88 -1.08 0.00 0.00 179.45 182.10 1mll h TYR 146 N 0.47 0.97 -0.34 -1.35 -1.99 -0.66 -1.30 116.97 112.77 1mll h TYR 146 Ca -0.04 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.62 1mll h TYR 146 Cb 1.34 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 39.74 1mll h TYR 146 CO 0.09 0.46 -0.19 -0.22 -0.00 0.00 0.00 178.16 178.31 1mll h LYS 147 N 0.93 0.63 -0.07 4.88 3.64 -1.18 -1.37 116.57 124.03 1mll h LYS 147 Ca 0.39 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1mll h LYS 147 Cb 0.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1mll h LYS 147 CO -0.20 0.78 -0.35 0.93 -2.27 0.00 0.00 179.45 178.35 1mll h GLU 148 N 0.56 0.13 -0.00 1.90 5.08 -0.67 -2.40 114.58 119.18 1mll h GLU 148 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1mll h GLU 148 Cb 0.63 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1mll h GLU 148 CO 0.04 0.47 -0.12 1.28 -1.00 0.00 0.00 179.01 179.69 1mll n LEU 149 N -4.10 0.29 0.00 1.33 4.77 -0.56 -4.94 117.00 113.80 1mll n LEU 149 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1mll n LEU 149 Cb 0.41 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1mll n LEU 149 CO 0.40 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1mll n GLY 150 N 1.35 0.80 3.41 -0.72 0.00 -0.79 -5.05 105.19 104.20 1mll n GLY 150 Ca 0.12 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1mll n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mll s TYR 151 N -2.00 2.97 0.00 1.61 5.04 -0.61 -4.94 117.35 119.43 1mll s TYR 151 Ca 0.00 -0.57 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 1mll s TYR 151 Cb 0.00 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 40.30 1mll s TYR 151 CO 0.00 -0.26 0.00 0.94 -1.34 0.00 0.00 175.55 174.89 1mll n GLN 152 N 4.06 0.00 0.00 4.97 7.27 -1.26 -3.78 117.38 128.64 1mll n GLN 152 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.89 1mll n GLN 152 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 1mll n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54