#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nsr s LEU 2 N 0.00 4.30 0.87 0.99 1.02 -1.26 -5.10 118.68 119.50 2nsr s LEU 2 Ca 0.00 0.70 -0.11 0.00 0.02 0.00 0.00 54.13 54.74 2nsr s LEU 2 Cb 0.00 -3.18 0.12 0.00 0.02 0.00 0.00 46.19 43.14 2nsr s LEU 2 CO 0.00 0.10 1.09 -0.94 0.02 0.00 0.00 176.35 176.62 2nsr s SER 3 N -2.11 3.62 0.23 2.29 1.04 -1.26 -4.83 113.70 112.68 2nsr s SER 3 Ca 0.38 1.61 -0.06 0.00 0.48 0.00 0.00 55.95 58.36 2nsr s SER 3 Cb -0.13 -2.28 0.37 0.00 0.10 0.00 0.00 66.02 64.08 2nsr s SER 3 CO 0.21 -2.56 1.76 0.44 0.98 0.00 0.00 173.24 174.07 2nsr h ASP 4 N -1.50 0.40 -0.85 7.02 3.32 -1.99 -0.89 116.42 121.93 2nsr h ASP 4 Ca -0.48 0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.66 2nsr h ASP 4 Cb 1.27 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 2nsr h ASP 4 CO 0.53 0.21 0.56 1.23 -1.72 0.00 0.00 179.24 180.05 2nsr h GLY 5 N 0.55 1.22 0.75 2.75 0.00 -1.99 -1.84 103.07 104.50 2nsr h GLY 5 Ca 0.37 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2nsr h GLY 5 CO -0.31 0.41 -0.09 0.83 0.00 0.00 0.00 176.54 177.38 2nsr h GLU 6 N 1.13 0.33 -0.79 4.80 5.08 -1.81 -1.78 114.58 121.53 2nsr h GLU 6 Ca 0.32 -0.15 0.14 0.00 -1.00 0.00 0.00 59.36 58.68 2nsr h GLU 6 Cb -0.08 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.06 2nsr h GLU 6 CO -0.08 0.66 0.36 -1.49 -1.00 0.00 0.00 179.01 177.46 2nsr h TRP 7 N -0.01 0.63 -0.60 4.33 -0.00 -1.07 0.20 115.95 119.43 2nsr h TRP 7 Ca 0.03 0.04 -0.02 0.00 -0.00 0.00 0.00 58.89 58.94 2nsr h TRP 7 Cb 0.57 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 29.55 2nsr h TRP 7 CO 0.07 0.12 0.31 0.37 -0.00 0.00 0.00 178.44 179.31 2nsr h GLN 8 N 0.52 0.85 -0.02 0.49 4.15 -1.03 0.31 115.11 120.39 2nsr h GLN 8 Ca 0.43 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.75 2nsr h GLN 8 Cb 0.64 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 2nsr h GLN 8 CO -0.38 0.66 0.01 1.96 -1.93 0.00 0.00 178.83 179.15 2nsr h GLN 9 N 0.82 0.01 -0.34 1.69 4.20 -0.65 0.77 115.11 121.61 2nsr h GLN 9 Ca 0.21 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.99 2nsr h GLN 9 Cb 0.07 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.77 2nsr h GLN 9 CO -0.03 0.01 -0.16 0.28 -0.67 0.00 0.00 178.83 178.25 2nsr h VAL 10 N 0.01 0.50 0.00 -0.54 2.07 -0.54 -0.84 116.25 116.91 2nsr h VAL 10 Ca 0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 2nsr h VAL 10 Cb 0.00 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2nsr h VAL 10 CO -0.01 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 177.20 2nsr h LEU 11 N -0.11 0.00 -0.07 2.57 3.38 -0.83 -0.57 115.31 119.68 2nsr h LEU 11 Ca 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2nsr h LEU 11 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2nsr h LEU 11 CO -0.41 0.31 -0.04 -1.13 0.09 0.00 0.00 178.44 177.26 2nsr h ASN 12 N 0.00 0.16 -0.78 -0.43 -0.73 -0.32 -2.73 115.58 110.75 2nsr h ASN 12 Ca -0.00 -0.43 0.13 0.00 1.87 0.00 0.00 56.30 57.86 2nsr h ASN 12 Cb 0.84 -0.04 -0.09 0.00 0.27 0.00 0.00 38.32 39.30 2nsr h ASN 12 CO 0.04 0.56 0.36 0.58 -0.37 0.00 0.00 177.43 178.60 2nsr h VAL 13 N -0.24 0.73 -0.15 2.57 2.07 -1.04 -2.70 116.25 117.49 2nsr h VAL 13 Ca 0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2nsr h VAL 13 Cb 0.50 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2nsr h VAL 13 CO 0.01 0.10 0.04 -0.25 0.02 0.00 0.00 177.57 177.50 2nsr h TRP 14 N 0.55 0.20 -0.89 1.57 2.91 -1.01 0.13 115.95 119.39 2nsr h TRP 14 Ca 0.41 -0.00 0.22 0.00 1.13 0.00 0.00 58.89 60.65 2nsr h TRP 14 Cb 0.57 -0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 29.10 2nsr h TRP 14 CO -0.13 0.17 0.60 0.78 -1.03 0.00 0.00 178.44 178.84 2nsr h GLY 15 N 0.33 0.67 0.86 2.65 0.00 -1.16 -0.34 103.07 106.09 2nsr h GLY 15 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2nsr h GLY 15 CO -0.00 -0.01 0.02 0.50 0.00 0.00 0.00 176.54 177.05 2nsr h LYS 16 N 0.30 0.45 -0.86 4.80 1.57 -0.82 -3.02 116.57 118.99 2nsr h LYS 16 Ca 0.46 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2nsr h LYS 16 Cb 1.30 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 2nsr h LYS 16 CO -0.14 0.60 0.47 0.28 -0.57 0.00 0.00 179.45 180.09 2nsr h VAL 17 N 0.25 1.25 0.00 0.50 2.07 -1.06 -2.82 116.25 116.44 2nsr h VAL 17 Ca 0.08 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2nsr h VAL 17 Cb 0.38 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2nsr h VAL 17 CO 0.01 0.28 -0.04 -0.33 0.02 0.00 0.00 177.57 177.51 2nsr h GLU 18 N 1.20 0.00 0.00 1.57 5.08 -1.15 -1.73 114.58 119.55 2nsr h GLU 18 Ca 0.30 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 2nsr h GLU 18 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2nsr h GLU 18 CO -0.05 0.04 -0.14 0.00 -1.00 0.00 0.00 179.01 177.86 2nsr h ALA 19 N 1.96 1.40 -1.26 3.43 0.00 -1.37 -3.35 119.26 120.07 2nsr h ALA 19 Ca -0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.44 2nsr h ALA 19 Cb 0.59 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.11 2nsr h ALA 19 CO 0.01 0.18 -0.71 -3.47 0.00 0.00 0.00 179.25 175.25 2nsr n ASP 20 N -3.84 -2.03 -0.02 0.00 2.03 -0.72 -5.02 116.55 106.94 2nsr n ASP 20 Ca -0.02 -2.84 -0.11 0.00 0.52 0.00 0.00 54.79 52.34 2nsr n ASP 20 Cb 0.24 0.83 -0.05 0.00 -0.72 0.00 0.00 41.12 41.41 2nsr n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2nsr h ILE 21 N 3.97 1.12 -0.70 5.18 6.09 -1.51 -1.34 117.51 130.33 2nsr h ILE 21 Ca 0.06 -0.34 -0.01 0.00 -1.37 0.00 0.00 64.86 63.20 2nsr h ILE 21 Cb 1.01 1.12 -0.03 0.00 0.47 0.00 0.00 36.82 39.38 2nsr h ILE 21 CO 0.24 0.11 0.41 0.00 -3.07 0.00 0.00 178.15 175.84 2nsr h ALA 22 N 0.93 0.89 -0.13 0.18 0.00 -1.87 0.65 119.26 119.91 2nsr h ALA 22 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2nsr h ALA 22 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2nsr h ALA 22 CO -0.01 0.38 0.04 0.78 0.00 0.00 0.00 179.25 180.44 2nsr h GLY 23 N 0.95 0.22 0.98 0.00 0.00 -1.88 0.20 103.07 103.54 2nsr h GLY 23 Ca 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2nsr h GLY 23 CO -0.04 0.13 0.24 0.45 0.00 0.00 0.00 176.54 177.31 2nsr h HIS 24 N 0.02 0.79 -0.02 5.60 -0.00 -1.15 -2.10 115.15 118.29 2nsr h HIS 24 Ca 0.04 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2nsr h HIS 24 Cb 0.23 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2nsr h HIS 24 CO 0.00 0.63 0.01 0.78 -0.00 0.00 0.00 177.93 179.35 2nsr h GLY 25 N 0.73 0.04 0.54 2.45 0.00 -0.62 -1.33 103.07 104.87 2nsr h GLY 25 Ca 0.18 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.54 2nsr h GLY 25 CO -0.02 0.02 -0.08 -1.61 0.00 0.00 0.00 176.54 174.85 2nsr h GLN 26 N -0.05 -0.05 -0.94 4.80 4.15 -0.58 -2.22 115.11 120.23 2nsr h GLN 26 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2nsr h GLN 26 Cb 0.08 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 2nsr h GLN 26 CO -0.00 -0.03 0.58 0.93 -1.93 0.00 0.00 178.83 178.38 2nsr h GLU 27 N -0.05 1.27 -0.11 1.69 5.08 -1.29 0.14 114.58 121.32 2nsr h GLU 27 Ca 0.10 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2nsr h GLU 27 Cb 0.20 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2nsr h GLU 27 CO -0.23 0.88 -0.03 0.28 -1.00 0.00 0.00 179.01 178.91 2nsr h VAL 28 N 1.30 0.88 -0.49 3.13 2.07 -1.07 0.22 116.25 122.28 2nsr h VAL 28 Ca 0.34 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.80 2nsr h VAL 28 Cb -0.08 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2nsr h VAL 28 CO -0.07 0.00 0.07 -0.07 0.02 0.00 0.00 177.57 177.52 2nsr h LEU 29 N -0.01 0.79 -0.44 2.57 3.38 -1.09 -0.66 115.31 119.85 2nsr h LEU 29 Ca 0.05 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.76 2nsr h LEU 29 Cb 0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2nsr h LEU 29 CO -0.12 0.86 0.28 0.40 0.09 0.00 0.00 178.44 179.95 2nsr h ILE 30 N 0.69 1.09 -0.44 1.22 2.04 -0.82 -0.01 117.51 121.28 2nsr h ILE 30 Ca 0.15 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2nsr h ILE 30 Cb 0.41 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2nsr h ILE 30 CO 0.01 0.10 0.17 -0.09 0.00 0.00 0.00 178.15 178.35 2nsr h ARG 31 N 0.57 0.35 -0.33 2.37 9.65 -0.79 -1.12 114.38 125.08 2nsr h ARG 31 Ca 0.17 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.05 2nsr h ARG 31 Cb -0.04 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 2nsr h ARG 31 CO -0.05 0.23 0.15 1.25 2.80 0.00 0.00 179.97 184.35 2nsr h LEU 32 N 0.36 0.21 -0.60 3.80 5.85 -0.78 -1.37 115.31 122.78 2nsr h LEU 32 Ca 0.20 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 2nsr h LEU 32 Cb 0.17 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2nsr h LEU 32 CO -0.19 0.16 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.41 2nsr h PHE 33 N 0.31 0.79 0.18 1.25 0.04 -0.78 0.38 116.94 119.12 2nsr h PHE 33 Ca 0.14 -0.23 -0.32 0.00 2.80 0.00 0.00 57.97 60.36 2nsr h PHE 33 Cb 0.07 -0.17 0.02 0.00 2.20 0.00 0.00 35.95 38.07 2nsr h PHE 33 CO -0.11 0.96 -1.47 1.79 -0.60 0.00 0.00 178.31 178.88 2nsr h THR 34 N 0.54 1.26 0.00 -1.55 1.35 -1.18 -2.66 112.91 110.67 2nsr h THR 34 Ca 0.05 -2.79 -0.11 0.00 -0.55 0.00 0.00 66.41 63.00 2nsr h THR 34 Cb 0.93 2.92 -0.02 0.00 -1.73 0.00 0.00 68.15 70.25 2nsr h THR 34 CO 0.08 0.84 -0.53 1.23 -0.25 0.00 0.00 175.52 176.89 2nsr h GLY 35 N 0.93 0.00 -6.28 5.82 0.00 -1.29 -3.40 103.07 98.85 2nsr h GLY 35 Ca -0.24 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.54 2nsr h GLY 35 CO 0.22 0.00 -0.94 0.30 0.00 0.00 0.00 176.54 176.12 2nsr s HIS 36 N -3.22 0.86 0.59 5.60 3.76 0.12 -5.00 115.29 118.01 2nsr s HIS 36 Ca 0.02 -2.16 0.32 0.00 -0.15 0.00 0.00 55.06 53.09 2nsr s HIS 36 Cb 0.10 -0.82 1.90 0.00 1.11 0.00 0.00 32.58 34.86 2nsr s HIS 36 CO 0.73 -0.86 2.26 -1.35 -0.85 0.00 0.00 174.74 174.67 2nsr h PRO 37 N 5.68 0.00 -0.40 8.40 0.11 -1.69 -0.63 132.00 143.47 2nsr h PRO 37 Ca 0.24 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.47 2nsr h PRO 37 Cb 0.93 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 2nsr h PRO 37 CO 0.34 0.01 0.32 1.05 -0.21 0.00 0.00 178.00 179.51 2nsr h GLU 38 N 0.00 0.00 -0.26 1.05 9.09 -1.93 -2.33 114.58 120.20 2nsr h GLU 38 Ca -0.00 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.22 2nsr h GLU 38 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 2nsr h GLU 38 CO 0.00 0.00 -0.59 1.79 0.05 0.00 0.00 179.01 180.27 2nsr h THR 39 N 0.00 1.28 -0.90 -1.06 1.35 -1.42 -2.79 112.91 109.36 2nsr h THR 39 Ca 0.19 -1.78 0.15 0.00 -0.55 0.00 0.00 66.41 64.43 2nsr h THR 39 Cb 0.82 1.69 -0.07 0.00 -1.73 0.00 0.00 68.15 68.86 2nsr h THR 39 CO -0.00 0.58 0.58 0.25 -0.25 0.00 0.00 175.52 176.67 2nsr h LEU 40 N 0.63 0.64 -2.03 3.87 5.85 -1.54 -0.49 115.31 122.24 2nsr h LEU 40 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2nsr h LEU 40 Cb 1.19 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2nsr h LEU 40 CO 0.13 0.31 0.00 -0.33 -0.34 0.00 0.00 178.44 178.21 2nsr h GLU 41 N 0.67 0.00 0.00 1.25 4.39 -1.49 -1.46 114.58 117.94 2nsr h GLU 41 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 2nsr h GLU 41 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2nsr h GLU 41 CO -0.22 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.26 2nsr n LYS 42 N -2.77 0.13 -3.66 2.33 4.76 -0.19 -4.60 118.16 114.16 2nsr n LYS 42 Ca -0.01 0.21 -0.39 0.00 -2.87 0.00 0.00 58.31 55.25 2nsr n LYS 42 Cb 0.12 -1.69 -0.10 0.00 -1.84 0.00 0.00 35.03 31.53 2nsr n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2nsr s PHE 43 N -3.11 3.49 0.34 2.13 0.40 -0.55 -4.98 117.98 115.69 2nsr s PHE 43 Ca 0.09 -2.09 0.06 0.00 -0.60 0.00 0.00 56.93 54.39 2nsr s PHE 43 Cb 0.13 -3.33 0.71 0.00 0.51 0.00 0.00 43.02 41.05 2nsr s PHE 43 CO 0.47 -0.97 1.89 -0.44 0.70 0.00 0.00 175.22 176.86 2nsr h ASP 44 N 8.27 0.74 0.15 1.36 3.32 -1.83 -1.77 116.42 126.66 2nsr h ASP 44 Ca -0.18 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2nsr h ASP 44 Cb 1.06 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2nsr h ASP 44 CO 0.78 0.42 -0.02 2.29 -1.72 0.00 0.00 179.24 180.99 2nsr n LYS 45 N -4.54 0.95 0.00 3.56 2.85 -1.26 -3.80 118.16 115.91 2nsr n LYS 45 Ca 0.16 -0.16 0.01 0.00 -1.05 0.00 0.00 58.31 57.26 2nsr n LYS 45 Cb 0.36 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.24 2nsr n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2nsr n PHE 46 N -0.88 0.00 0.35 5.58 3.72 -0.81 -4.73 117.46 120.69 2nsr n PHE 46 Ca 0.20 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.75 2nsr n PHE 46 Cb 0.19 0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.28 2nsr n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2nsr h LYS 47 N 0.04 0.00 0.00 -1.08 2.10 -1.44 -0.33 116.57 115.85 2nsr h LYS 47 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2nsr h LYS 47 Cb 0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2nsr h LYS 47 CO 0.00 0.00 -0.01 1.12 -2.00 0.00 0.00 179.45 178.56 2nsr h HIS 48 N 0.00 0.00 -3.23 0.07 2.07 -1.85 -3.42 115.15 108.79 2nsr h HIS 48 Ca 0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 2nsr h HIS 48 Cb 0.49 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.42 2nsr h HIS 48 CO 0.00 0.01 1.08 -0.51 -3.07 0.00 0.00 177.93 175.44 2nsr s LEU 49 N -6.48 3.56 0.05 6.12 1.43 -0.14 -4.89 118.68 118.34 2nsr s LEU 49 Ca -0.04 0.80 0.20 0.00 -1.03 0.00 0.00 54.13 54.06 2nsr s LEU 49 Cb 0.13 -3.50 -0.16 0.00 0.03 0.00 0.00 46.19 42.69 2nsr s LEU 49 CO 0.46 -1.47 0.72 0.29 0.23 0.00 0.00 176.35 176.57 2nsr n LYS 50 N 8.14 0.63 -4.21 1.70 4.76 -1.26 -4.95 118.16 122.97 2nsr n LYS 50 Ca 0.17 0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.54 2nsr n LYS 50 Cb 0.48 -1.71 -0.10 0.00 -1.84 0.00 0.00 35.03 31.86 2nsr n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2nsr s THR 51 N -3.15 0.95 0.48 -0.18 -4.23 -1.26 -5.04 115.64 103.21 2nsr s THR 51 Ca -0.04 -1.98 0.15 0.00 -1.18 0.00 0.00 61.69 58.64 2nsr s THR 51 Cb 0.10 -1.74 0.30 0.00 1.34 0.00 0.00 72.50 72.49 2nsr s THR 51 CO 0.83 -0.79 2.08 -0.08 -0.54 0.00 0.00 174.62 176.12 2nsr h GLU 52 N 2.92 0.20 -0.32 3.99 4.81 -1.99 -2.12 114.58 122.06 2nsr h GLU 52 Ca -0.36 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 2nsr h GLU 52 Cb 1.18 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2nsr h GLU 52 CO 0.63 0.13 0.08 0.00 -0.73 0.00 0.00 179.01 179.13 2nsr h ALA 53 N 1.85 0.43 -0.52 2.92 0.00 -1.98 0.19 119.26 122.15 2nsr h ALA 53 Ca 0.12 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2nsr h ALA 53 Cb 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2nsr h ALA 53 CO -0.02 0.08 0.34 0.93 0.00 0.00 0.00 179.25 180.59 2nsr h GLU 54 N 0.37 0.68 -0.03 0.00 5.08 -1.90 -1.49 114.58 117.28 2nsr h GLU 54 Ca 0.10 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2nsr h GLU 54 Cb 0.28 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2nsr h GLU 54 CO -0.00 0.45 -0.08 0.52 -1.00 0.00 0.00 179.01 178.90 2nsr h MET 55 N 0.70 -0.12 -0.51 2.33 2.86 -1.07 -2.09 114.93 117.03 2nsr h MET 55 Ca 0.19 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.90 2nsr h MET 55 Cb -0.07 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2nsr h MET 55 CO -0.05 -0.08 0.34 -0.22 1.06 0.00 0.00 176.91 177.96 2nsr h LYS 56 N -0.12 0.43 -0.02 1.72 1.63 -0.38 -1.90 116.57 117.93 2nsr h LYS 56 Ca 0.04 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2nsr h LYS 56 Cb 0.18 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2nsr h LYS 56 CO -0.11 0.28 -0.08 0.00 -3.45 0.00 0.00 179.45 176.09 2nsr n ALA 57 N -2.50 2.72 -2.60 5.00 0.00 -0.58 -4.86 120.51 117.67 2nsr n ALA 57 Ca 0.07 -0.49 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 2nsr n ALA 57 Cb 0.25 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 2nsr n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nsr s SER 58 N -2.13 6.68 0.22 0.00 0.15 -0.72 -4.89 113.70 113.01 2nsr s SER 58 Ca 0.32 0.55 0.07 0.00 0.70 0.00 0.00 55.95 57.60 2nsr s SER 58 Cb 0.20 -2.51 0.17 0.00 -1.71 0.00 0.00 66.02 62.17 2nsr s SER 58 CO 0.38 -1.05 1.50 -0.33 1.20 0.00 0.00 173.24 174.94 2nsr h GLU 59 N 8.79 0.08 -0.24 5.44 4.39 -1.89 -2.77 114.58 128.38 2nsr h GLU 59 Ca -0.23 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.26 2nsr h GLU 59 Cb 1.07 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2nsr h GLU 59 CO 1.06 0.77 -0.44 0.22 -1.16 0.00 0.00 179.01 179.46 2nsr h ASP 60 N 0.05 0.64 -0.91 1.42 3.58 -1.96 -1.25 116.42 117.98 2nsr h ASP 60 Ca -0.01 -0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.15 2nsr h ASP 60 Cb 1.29 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 42.12 2nsr h ASP 60 CO 0.10 0.99 0.60 0.25 -2.88 0.00 0.00 179.24 178.30 2nsr h LEU 61 N 0.48 1.04 -0.33 2.28 6.46 -1.85 -0.61 115.31 122.78 2nsr h LEU 61 Ca 0.03 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 2nsr h LEU 61 Cb 0.96 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 2nsr h LEU 61 CO 0.09 0.75 0.05 0.11 -0.62 0.00 0.00 178.44 178.82 2nsr h LYS 62 N 1.23 0.55 -0.31 1.25 1.57 -1.27 -0.37 116.57 119.20 2nsr h LYS 62 Ca 0.34 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 2nsr h LYS 62 Cb -0.13 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.06 2nsr h LYS 62 CO -0.08 0.64 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.14 2nsr h LYS 63 N 0.38 -0.00 -0.15 3.15 3.64 -1.01 -0.97 116.57 121.61 2nsr h LYS 63 Ca 0.10 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 2nsr h LYS 63 Cb 0.36 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2nsr h LYS 63 CO 0.01 -0.00 -0.40 1.25 -2.27 0.00 0.00 179.45 178.03 2nsr h HIS 64 N -0.00 0.38 -0.97 1.91 2.76 -0.95 -1.92 115.15 116.36 2nsr h HIS 64 Ca 0.15 -0.10 0.07 0.00 -2.20 0.00 0.00 60.37 58.29 2nsr h HIS 64 Cb 0.23 -0.08 -0.07 0.00 1.55 0.00 0.00 27.41 29.04 2nsr h HIS 64 CO -0.30 0.68 0.62 0.78 -1.30 0.00 0.00 177.93 178.41 2nsr h GLY 65 N 1.17 1.49 0.97 5.26 0.00 -0.64 -0.37 103.07 110.95 2nsr h GLY 65 Ca 0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2nsr h GLY 65 CO 0.07 0.30 0.16 -0.84 0.00 0.00 0.00 176.54 176.22 2nsr h THR 66 N 1.11 1.10 -0.30 4.70 2.02 -0.50 -1.91 112.91 119.13 2nsr h THR 66 Ca 0.43 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.42 2nsr h THR 66 Cb 0.20 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 2nsr h THR 66 CO -0.18 0.10 0.04 0.58 0.37 0.00 0.00 175.52 176.42 2nsr h VAL 67 N 0.32 0.82 0.27 3.16 2.07 -0.74 -1.11 116.25 121.05 2nsr h VAL 67 Ca 0.09 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2nsr h VAL 67 Cb 0.02 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2nsr h VAL 67 CO -0.02 0.03 -0.13 0.58 0.02 0.00 0.00 177.57 178.05 2nsr h VAL 68 N 0.14 0.75 0.00 2.57 2.07 -0.99 -1.88 116.25 118.91 2nsr h VAL 68 Ca 0.14 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2nsr h VAL 68 Cb 0.17 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2nsr h VAL 68 CO -0.21 0.03 -0.48 -0.07 0.02 0.00 0.00 177.57 176.86 2nsr h LEU 69 N -0.44 0.00 -0.43 2.57 3.38 -1.35 -1.73 115.31 117.32 2nsr h LEU 69 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2nsr h LEU 69 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2nsr h LEU 69 CO 0.06 0.48 0.03 0.74 0.09 0.00 0.00 178.44 179.84 2nsr h THR 70 N 0.00 1.25 -0.44 0.22 2.02 -1.07 0.19 112.91 115.08 2nsr h THR 70 Ca -0.00 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 2nsr h THR 70 Cb 0.98 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 2nsr h THR 70 CO 0.06 0.33 0.23 0.00 0.37 0.00 0.00 175.52 176.51 2nsr h ALA 71 N 0.92 0.56 -0.59 6.16 0.00 -1.08 -1.44 119.26 123.79 2nsr h ALA 71 Ca 0.13 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2nsr h ALA 71 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2nsr h ALA 71 CO 0.02 0.11 0.06 1.25 0.00 0.00 0.00 179.25 180.68 2nsr h LEU 72 N 0.57 0.97 -0.40 0.00 5.85 -1.18 -2.30 115.31 118.82 2nsr h LEU 72 Ca 0.15 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2nsr h LEU 72 Cb 0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2nsr h LEU 72 CO -0.02 1.01 0.25 1.23 -0.34 0.00 0.00 178.44 180.57 2nsr h GLY 73 N 0.90 0.56 0.24 3.75 0.00 -0.49 -0.74 103.07 107.29 2nsr h GLY 73 Ca 0.18 -0.20 0.12 0.00 0.00 0.00 0.00 47.33 47.42 2nsr h GLY 73 CO 0.02 0.19 0.22 -1.33 0.00 0.00 0.00 176.54 175.64 2nsr h GLY 74 N 0.52 0.93 0.82 4.60 0.00 -1.09 -1.51 103.07 107.33 2nsr h GLY 74 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2nsr h GLY 74 CO -0.04 -0.07 0.03 -2.22 0.00 0.00 0.00 176.54 174.23 2nsr h ILE 75 N 0.38 1.20 -0.41 2.60 2.04 -0.85 -3.09 117.51 119.38 2nsr h ILE 75 Ca 0.35 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 2nsr h ILE 75 Cb 0.49 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2nsr h ILE 75 CO -0.37 0.18 0.12 -0.07 0.00 0.00 0.00 178.15 178.01 2nsr h LEU 76 N -0.01 0.55 -0.74 1.44 3.38 -0.85 -0.71 115.31 118.37 2nsr h LEU 76 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2nsr h LEU 76 Cb 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2nsr h LEU 76 CO 0.00 0.54 0.00 0.29 0.09 0.00 0.00 178.44 179.36 2nsr n LYS 77 N -4.34 0.17 0.05 1.13 5.02 -0.60 -1.29 118.16 118.31 2nsr n LYS 77 Ca 0.03 0.44 0.13 0.00 -2.02 0.00 0.00 58.31 56.89 2nsr n LYS 77 Cb 0.18 -1.85 0.51 0.00 -0.02 0.00 0.00 35.03 33.84 2nsr n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2nsr n LYS 78 N -2.18 0.12 -3.78 1.97 4.76 -0.27 -4.96 118.16 113.81 2nsr n LYS 78 Ca 0.02 0.09 -0.24 0.00 -2.87 0.00 0.00 58.31 55.31 2nsr n LYS 78 Cb 0.20 -1.63 0.01 0.00 -1.84 0.00 0.00 35.03 31.77 2nsr n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2nsr n LYS 79 N -1.83 -3.74 0.00 1.97 5.02 -0.41 -1.27 118.16 117.89 2nsr n LYS 79 Ca 0.06 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 2nsr n LYS 79 Cb 0.38 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 2nsr n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nsr n GLY 80 N -1.73 3.11 2.45 0.72 0.00 -1.26 -4.91 105.19 103.57 2nsr n GLY 80 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 2nsr n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nsr n HIS 81 N -2.00 2.55 -0.62 1.61 8.25 -0.40 -4.59 115.22 120.03 2nsr n HIS 81 Ca 0.00 -2.86 0.05 0.00 -0.26 0.00 0.00 57.72 54.65 2nsr n HIS 81 Cb 0.00 -1.95 0.08 0.00 1.12 0.00 0.00 29.99 29.23 2nsr n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2nsr n HIS 82 N 2.06 0.00 -0.18 4.41 1.44 -1.26 -4.80 115.22 116.89 2nsr n HIS 82 Ca 0.66 -0.76 -0.01 0.00 -2.01 0.00 0.00 57.72 55.59 2nsr n HIS 82 Cb 0.25 -0.10 0.06 0.00 0.12 0.00 0.00 29.99 30.31 2nsr n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2nsr h GLU 83 N 0.00 0.04 -0.06 -1.40 4.57 -1.99 0.25 114.58 115.99 2nsr h GLU 83 Ca 0.00 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 2nsr h GLU 83 Cb 0.79 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 2nsr h GLU 83 CO 0.00 0.03 -0.39 0.00 -1.18 0.00 0.00 179.01 177.46 2nsr h ALA 84 N 1.53 1.22 0.25 2.92 0.00 -2.00 -1.28 119.26 121.91 2nsr h ALA 84 Ca 0.27 -0.38 -0.34 0.00 0.00 0.00 0.00 54.91 54.46 2nsr h ALA 84 Cb 0.42 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.17 2nsr h ALA 84 CO -0.53 0.54 -1.53 0.93 0.00 0.00 0.00 179.25 178.67 2nsr h GLU 85 N 0.12 0.53 0.02 0.00 3.07 -1.77 -3.39 114.58 113.15 2nsr h GLU 85 Ca 0.01 -0.90 -0.12 0.00 -0.50 0.00 0.00 59.36 57.86 2nsr h GLU 85 Cb 0.75 0.33 0.01 0.00 -0.84 0.00 0.00 28.75 29.01 2nsr h GLU 85 CO 0.06 1.43 -0.47 1.25 -1.40 0.00 0.00 179.01 179.88 2nsr h LEU 86 N 0.14 0.38 -0.50 1.33 6.46 -0.40 -3.36 115.31 119.37 2nsr h LEU 86 Ca -0.27 -0.80 0.09 0.00 -0.12 0.00 0.00 57.88 56.78 2nsr h LEU 86 Cb 2.17 -0.12 -0.10 0.00 -0.73 0.00 0.00 40.66 41.88 2nsr h LEU 86 CO 0.26 1.14 -0.36 0.50 -0.62 0.00 0.00 178.44 179.36 2nsr h LYS 87 N -0.32 -0.22 -0.61 1.25 3.64 -1.42 -0.52 116.57 118.36 2nsr h LYS 87 Ca -0.06 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2nsr h LYS 87 Cb 1.22 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 2nsr h LYS 87 CO 0.09 -0.15 0.41 -1.00 -2.27 0.00 0.00 179.45 176.53 2nsr h PRO 88 N -0.23 0.79 -0.03 1.90 0.13 -1.77 0.13 132.00 132.92 2nsr h PRO 88 Ca 0.19 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2nsr h PRO 88 Cb 0.56 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.51 2nsr h PRO 88 CO -0.62 0.52 0.00 -0.07 -0.23 0.00 0.00 178.00 177.61 2nsr h LEU 89 N 0.81 0.05 -0.55 1.56 3.38 -1.54 -0.28 115.31 118.75 2nsr h LEU 89 Ca 0.23 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.04 2nsr h LEU 89 Cb -0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 2nsr h LEU 89 CO -0.05 0.30 0.01 0.00 0.09 0.00 0.00 178.44 178.79 2nsr h ALA 90 N 0.75 0.54 -0.40 1.53 0.00 -0.66 0.45 119.26 121.46 2nsr h ALA 90 Ca 0.01 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2nsr h ALA 90 Cb 0.27 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2nsr h ALA 90 CO 0.00 -0.38 -0.09 1.96 0.00 0.00 0.00 179.25 180.75 2nsr h GLN 91 N 0.13 0.77 -0.05 0.00 4.20 -0.55 -1.26 115.11 118.36 2nsr h GLN 91 Ca 0.28 -0.29 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 2nsr h GLN 91 Cb 0.43 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2nsr h GLN 91 CO -0.45 0.90 -0.52 0.66 -0.67 0.00 0.00 178.83 178.74 2nsr h SER 92 N 0.58 0.14 0.12 1.46 4.64 -0.81 0.70 113.55 120.37 2nsr h SER 92 Ca 0.10 -0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 61.18 2nsr h SER 92 Cb 0.61 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2nsr h SER 92 CO 0.04 0.64 -0.62 0.45 -0.87 0.00 0.00 176.83 176.46 2nsr h HIS 93 N 0.10 0.64 0.14 4.77 3.86 -0.63 -0.58 115.15 123.45 2nsr h HIS 93 Ca 0.00 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 58.96 2nsr h HIS 93 Cb 0.96 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2nsr h HIS 93 CO 0.01 0.98 -0.07 0.00 0.86 0.00 0.00 177.93 179.71 2nsr h ALA 94 N 0.96 -0.19 0.17 2.45 0.00 -1.19 0.85 119.26 122.31 2nsr h ALA 94 Ca -0.01 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.45 2nsr h ALA 94 Cb 1.17 0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.06 2nsr h ALA 94 CO 0.11 -0.24 -1.07 1.15 0.00 0.00 0.00 179.25 179.20 2nsr h THR 95 N -0.93 1.40 0.00 0.00 2.02 -0.92 -3.07 112.91 111.41 2nsr h THR 95 Ca -0.02 -2.57 -0.15 0.00 0.77 0.00 0.00 66.41 64.44 2nsr h THR 95 Cb 0.49 3.11 -0.02 0.00 -1.74 0.00 0.00 68.15 69.99 2nsr h THR 95 CO 0.03 0.75 -1.00 1.17 0.37 0.00 0.00 175.52 176.84 2nsr n LYS 96 N -3.98 0.52 0.12 6.66 4.81 -0.82 -4.59 118.16 120.88 2nsr n LYS 96 Ca -0.16 0.56 0.12 0.00 -0.87 0.00 0.00 58.31 57.96 2nsr n LYS 96 Cb 0.92 -1.72 0.13 0.00 0.02 0.00 0.00 35.03 34.37 2nsr n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2nsr h HIS 97 N -1.00 0.00 -5.73 5.64 3.86 -1.19 -3.48 115.15 113.25 2nsr h HIS 97 Ca -0.22 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.66 2nsr h HIS 97 Cb 1.01 0.00 0.15 0.00 1.06 0.00 0.00 27.41 29.63 2nsr h HIS 97 CO -0.03 0.00 -0.85 1.63 0.86 0.00 0.00 177.93 179.55 2nsr n LYS 98 N -2.56 -3.59 -3.53 2.45 4.76 -0.31 -4.99 118.16 110.39 2nsr n LYS 98 Ca 0.02 0.76 -0.41 0.00 -2.87 0.00 0.00 58.31 55.81 2nsr n LYS 98 Cb 0.50 -5.47 -0.11 0.00 -1.84 0.00 0.00 35.03 28.12 2nsr n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2nsr s ILE 99 N -3.44 5.05 0.59 -0.18 -1.09 0.14 -5.01 121.20 117.26 2nsr s ILE 99 Ca 0.27 -0.53 -0.19 0.00 -2.23 0.00 0.00 60.65 57.97 2nsr s ILE 99 Cb -0.05 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 2nsr s ILE 99 CO 0.77 -0.15 1.26 -2.84 -1.23 0.00 0.00 174.94 172.74 2nsr s PRO 100 N 1.66 2.92 0.36 2.79 0.02 -1.26 -4.66 135.00 136.83 2nsr s PRO 100 Ca 0.05 1.96 0.07 0.00 0.02 0.00 0.00 61.00 63.10 2nsr s PRO 100 Cb -0.18 -1.99 0.77 0.00 0.02 0.00 0.00 34.50 33.12 2nsr s PRO 100 CO 0.09 -1.28 1.92 0.97 -0.33 0.00 0.00 177.00 178.37 2nsr h ILE 101 N 0.94 0.94 -1.10 2.83 6.09 -1.93 -0.79 117.51 124.48 2nsr h ILE 101 Ca -0.51 -0.25 0.30 0.00 -1.37 0.00 0.00 64.86 63.04 2nsr h ILE 101 Cb 1.31 0.14 -0.10 0.00 0.47 0.00 0.00 36.82 38.63 2nsr h ILE 101 CO 0.55 0.13 0.70 0.50 -3.07 0.00 0.00 178.15 176.97 2nsr h LYS 102 N 0.73 0.32 -0.11 2.19 1.63 -2.00 -0.27 116.57 119.06 2nsr h LYS 102 Ca 0.37 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 60.03 2nsr h LYS 102 Cb 0.47 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2nsr h LYS 102 CO -0.15 0.21 -0.50 1.88 -3.45 0.00 0.00 179.45 177.44 2nsr h TYR 103 N 0.32 0.37 -0.51 1.91 -1.99 -1.49 -0.40 116.97 115.19 2nsr h TYR 103 Ca 0.65 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 61.21 2nsr h TYR 103 Cb 1.74 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 40.37 2nsr h TYR 103 CO -0.00 0.74 0.10 -0.07 -0.00 0.00 0.00 178.16 178.93 2nsr h LEU 104 N 0.24 0.73 -0.13 3.88 3.38 -1.09 -1.47 115.31 120.84 2nsr h LEU 104 Ca 0.01 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2nsr h LEU 104 Cb 0.97 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2nsr h LEU 104 CO 0.08 0.73 0.02 -0.08 0.09 0.00 0.00 178.44 179.28 2nsr h GLU 105 N 0.75 0.06 -0.63 1.13 4.81 -0.71 -2.03 114.58 117.97 2nsr h GLU 105 Ca 0.16 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.51 2nsr h GLU 105 Cb 0.31 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.59 2nsr h GLU 105 CO 0.00 0.04 0.13 0.74 -0.73 0.00 0.00 179.01 179.20 2nsr h PHE 106 N 0.07 0.21 0.00 0.92 0.04 -0.81 -1.89 116.94 115.48 2nsr h PHE 106 Ca 0.06 0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.73 2nsr h PHE 106 Cb 0.06 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2nsr h PHE 106 CO -0.13 -0.04 -0.65 0.97 -0.60 0.00 0.00 178.31 177.87 2nsr h ILE 107 N 0.26 1.33 -0.24 -0.55 2.10 -1.14 -1.06 117.51 118.20 2nsr h ILE 107 Ca 0.33 -2.32 -0.00 0.00 1.08 0.00 0.00 64.86 63.96 2nsr h ILE 107 Cb 0.51 2.30 -0.01 0.00 -1.09 0.00 0.00 36.82 38.52 2nsr h ILE 107 CO -0.42 0.63 0.15 0.28 -1.08 0.00 0.00 178.15 177.71 2nsr h SER 108 N 0.00 0.29 -0.66 2.19 0.02 -0.95 -1.42 113.55 113.03 2nsr h SER 108 Ca -0.01 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2nsr h SER 108 Cb 1.25 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2nsr h SER 108 CO 0.08 0.25 0.42 0.44 -1.14 0.00 0.00 176.83 176.89 2nsr h ASP 109 N 0.31 0.77 -0.74 3.07 3.32 -1.15 -2.40 116.42 119.59 2nsr h ASP 109 Ca 0.09 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.14 2nsr h ASP 109 Cb 0.01 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 2nsr h ASP 109 CO -0.02 0.57 0.46 0.00 -1.72 0.00 0.00 179.24 178.54 2nsr h ALA 110 N 1.23 0.97 -0.07 3.45 0.00 -0.97 -0.95 119.26 122.91 2nsr h ALA 110 Ca 0.24 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2nsr h ALA 110 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2nsr h ALA 110 CO -0.05 0.24 -0.02 0.82 0.00 0.00 0.00 179.25 180.24 2nsr h ILE 111 N 0.90 0.92 -0.25 0.00 2.04 -0.93 0.87 117.51 121.05 2nsr h ILE 111 Ca 0.30 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.21 2nsr h ILE 111 Cb 0.03 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2nsr h ILE 111 CO -0.12 0.00 -0.06 0.40 0.00 0.00 0.00 178.15 178.38 2nsr h ILE 112 N -0.01 0.75 0.11 -0.67 1.08 -1.25 0.42 117.51 117.94 2nsr h ILE 112 Ca 0.04 -0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.52 2nsr h ILE 112 Cb 0.06 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 2nsr h ILE 112 CO -0.08 0.00 -0.17 -0.74 -0.69 0.00 0.00 178.15 176.47 2nsr h HIS 113 N 0.01 -0.45 -0.86 1.37 2.76 -0.88 -2.35 115.15 114.74 2nsr h HIS 113 Ca 0.12 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.40 2nsr h HIS 113 Cb 0.18 0.19 -0.07 0.00 1.55 0.00 0.00 27.41 29.26 2nsr h HIS 113 CO -0.25 -0.26 0.51 0.28 -1.30 0.00 0.00 177.93 176.91 2nsr h VAL 114 N -0.34 0.92 -0.49 5.26 2.07 -0.68 -0.04 116.25 122.96 2nsr h VAL 114 Ca 0.02 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2nsr h VAL 114 Cb 0.36 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2nsr h VAL 114 CO -0.09 0.15 0.28 -0.07 0.02 0.00 0.00 177.57 177.86 2nsr h LEU 115 N 0.85 0.59 -0.71 2.57 3.38 -0.66 0.14 115.31 121.46 2nsr h LEU 115 Ca 0.42 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 2nsr h LEU 115 Cb 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2nsr h LEU 115 CO -0.25 0.49 0.20 0.45 0.09 0.00 0.00 178.44 179.43 2nsr h HIS 116 N 0.64 1.16 -0.31 1.13 3.86 -1.00 -0.32 115.15 120.31 2nsr h HIS 116 Ca 0.17 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 2nsr h HIS 116 Cb 0.02 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 2nsr h HIS 116 CO -0.02 0.93 -0.05 1.03 0.86 0.00 0.00 177.93 180.68 2nsr h SER 117 N 1.05 0.57 1.38 2.45 0.87 -0.58 -2.45 113.55 116.85 2nsr h SER 117 Ca 0.23 -0.35 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 2nsr h SER 117 Cb 0.33 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2nsr h SER 117 CO -0.00 0.79 -0.33 0.11 -0.53 0.00 0.00 176.83 176.86 2nsr h LYS 118 N 0.35 0.00 -1.73 2.24 1.57 -0.75 -3.39 116.57 114.87 2nsr h LYS 118 Ca 0.08 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.37 2nsr h LYS 118 Cb 0.52 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.42 2nsr h LYS 118 CO 0.03 0.33 -1.00 0.72 -0.57 0.00 0.00 179.45 178.96 2nsr n HIS 119 N -3.26 1.81 -1.91 -1.35 8.25 -0.13 -5.08 115.22 113.54 2nsr n HIS 119 Ca 0.02 -3.48 -0.42 0.00 -0.26 0.00 0.00 57.72 53.58 2nsr n HIS 119 Cb 0.60 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 2nsr n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2nsr s PRO 120 N -3.02 4.20 0.00 -0.41 0.04 -0.93 -1.02 135.00 133.86 2nsr s PRO 120 Ca 0.40 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2nsr s PRO 120 Cb 0.37 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2nsr s PRO 120 CO -0.08 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2nsr n GLY 121 N 3.92 1.49 0.27 0.56 0.00 -1.26 -4.84 105.19 105.34 2nsr n GLY 121 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2nsr n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2nsr n ASP 122 N 0.00 2.70 -3.46 1.61 2.03 -0.18 -4.79 116.55 114.45 2nsr n ASP 122 Ca 0.00 -2.99 -0.28 0.00 0.52 0.00 0.00 54.79 52.04 2nsr n ASP 122 Cb 0.00 -0.43 -0.11 0.00 -0.72 0.00 0.00 41.12 39.86 2nsr n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2nsr s PHE 123 N -2.73 1.23 0.91 -0.67 5.36 -1.22 -5.02 117.98 115.85 2nsr s PHE 123 Ca 0.32 -2.26 -0.13 0.00 -0.96 0.00 0.00 56.93 53.90 2nsr s PHE 123 Cb 0.28 -1.09 0.14 0.00 -0.34 0.00 0.00 43.02 42.01 2nsr s PHE 123 CO 0.04 -0.81 1.18 0.20 -1.46 0.00 0.00 175.22 174.38 2nsr s GLY 124 N 0.17 1.61 0.23 13.12 0.00 -1.26 -4.64 107.32 116.56 2nsr s GLY 124 Ca 0.28 -0.70 -0.07 0.00 0.00 0.00 0.00 44.72 44.24 2nsr s GLY 124 CO -0.14 -0.10 1.89 0.00 0.00 0.00 0.00 173.10 174.74 2nsr h ALA 125 N -1.47 1.14 -0.25 3.20 0.00 -2.00 0.17 119.26 120.05 2nsr h ALA 125 Ca -0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2nsr h ALA 125 Cb 1.31 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2nsr h ALA 125 CO 0.57 0.45 0.13 0.38 0.00 0.00 0.00 179.25 180.78 2nsr h ASP 126 N 1.13 0.32 -0.83 0.00 2.03 -1.99 -1.56 116.42 115.52 2nsr h ASP 126 Ca 0.34 -0.11 0.01 0.00 -0.73 0.00 0.00 57.03 56.54 2nsr h ASP 126 Cb -0.04 -0.08 -0.04 0.00 -0.83 0.00 0.00 39.33 38.34 2nsr h ASP 126 CO -0.10 0.34 0.54 0.00 -1.03 0.00 0.00 179.24 178.99 2nsr h ALA 127 N 0.99 1.05 -0.38 4.15 0.00 -1.75 -0.49 119.26 122.84 2nsr h ALA 127 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2nsr h ALA 127 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2nsr h ALA 127 CO -0.01 0.47 0.15 0.37 0.00 0.00 0.00 179.25 180.22 2nsr h GLN 128 N 1.12 0.56 -0.16 0.00 4.15 -0.91 -0.98 115.11 118.90 2nsr h GLN 128 Ca 0.30 -0.10 0.05 0.00 0.77 0.00 0.00 58.65 59.67 2nsr h GLN 128 Cb -0.12 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.42 2nsr h GLN 128 CO -0.06 0.55 -0.28 0.78 -1.93 0.00 0.00 178.83 177.88 2nsr h GLY 129 N 0.46 -0.33 0.90 2.39 0.00 -0.99 -0.56 103.07 104.93 2nsr h GLY 129 Ca 0.12 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 2nsr h GLY 129 CO -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 176.54 176.30 2nsr h ALA 130 N 0.56 -0.07 -0.76 3.60 0.00 -0.98 -2.07 119.26 119.55 2nsr h ALA 130 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2nsr h ALA 130 Cb 0.51 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2nsr h ALA 130 CO -0.35 -0.49 0.50 1.98 0.00 0.00 0.00 179.25 180.89 2nsr h MET 131 N -0.16 1.00 -0.01 0.00 -1.53 -1.16 -1.51 114.93 111.56 2nsr h MET 131 Ca -0.01 -0.06 0.02 0.00 -3.44 0.00 0.00 59.70 56.21 2nsr h MET 131 Cb 0.14 -0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 30.95 2nsr h MET 131 CO 0.01 0.66 -0.10 1.15 0.14 0.00 0.00 176.91 178.77 2nsr h THR 132 N 1.03 0.74 -0.50 -0.77 2.02 -1.03 -0.87 112.91 113.52 2nsr h THR 132 Ca 0.28 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.55 2nsr h THR 132 Cb -0.12 0.74 -0.08 0.00 -1.74 0.00 0.00 68.15 66.95 2nsr h THR 132 CO -0.06 0.00 0.00 0.11 0.37 0.00 0.00 175.52 175.94 2nsr h LYS 133 N -0.17 0.11 -0.81 6.66 1.57 -1.17 0.17 116.57 122.93 2nsr h LYS 133 Ca 0.04 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2nsr h LYS 133 Cb 0.22 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 2nsr h LYS 133 CO -0.11 0.08 0.49 0.00 -0.57 0.00 0.00 179.45 179.34 2nsr h ALA 134 N 1.44 1.12 -0.13 3.86 0.00 -0.90 -0.95 119.26 123.70 2nsr h ALA 134 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 2nsr h ALA 134 Cb 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2nsr h ALA 134 CO -0.42 0.20 -0.66 -0.07 0.00 0.00 0.00 179.25 178.30 2nsr h LEU 135 N 0.88 0.60 -0.75 0.00 3.38 -0.70 -1.49 115.31 117.23 2nsr h LEU 135 Ca 0.36 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2nsr h LEU 135 Cb 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2nsr h LEU 135 CO -0.19 1.10 -0.42 -0.33 0.09 0.00 0.00 178.44 178.69 2nsr h GLU 136 N 0.38 0.45 -0.26 1.13 5.08 -0.80 -0.64 114.58 119.91 2nsr h GLU 136 Ca -0.02 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2nsr h GLU 136 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2nsr h GLU 136 CO 0.12 0.79 0.13 1.25 -1.00 0.00 0.00 179.01 180.30 2nsr h LEU 137 N 0.37 0.34 0.38 1.33 5.85 -0.93 0.24 115.31 122.89 2nsr h LEU 137 Ca 0.03 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2nsr h LEU 137 Cb 0.89 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2nsr h LEU 137 CO 0.08 0.37 -0.44 0.15 -0.34 0.00 0.00 178.44 178.25 2nsr h PHE 138 N 0.29 -1.23 -0.85 1.25 3.57 -1.19 -0.58 116.94 118.21 2nsr h PHE 138 Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2nsr h PHE 138 Cb 0.12 0.49 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 2nsr h PHE 138 CO -0.02 -0.59 0.55 -0.09 -2.23 0.00 0.00 178.31 175.93 2nsr h ARG 139 N -0.85 1.07 -0.32 1.11 2.43 -1.03 -1.91 114.38 114.87 2nsr h ARG 139 Ca -0.03 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 2nsr h ARG 139 Cb 0.77 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2nsr h ARG 139 CO -0.10 0.71 -0.25 -0.97 -1.51 0.00 0.00 179.97 177.84 2nsr h ASN 140 N 1.10 0.66 0.11 -3.80 -1.24 -0.36 0.73 115.58 112.78 2nsr h ASN 140 Ca 0.32 -0.24 -0.17 0.00 0.71 0.00 0.00 56.30 56.92 2nsr h ASN 140 Cb -0.06 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 38.81 2nsr h ASN 140 CO -0.09 0.89 -0.64 0.44 -1.29 0.00 0.00 177.43 176.73 2nsr h ASP 141 N 0.56 0.58 -0.36 1.15 3.32 -0.84 -1.78 116.42 119.05 2nsr h ASP 141 Ca 0.08 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 2nsr h ASP 141 Cb 0.73 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2nsr h ASP 141 CO 0.06 1.07 0.07 0.40 -1.72 0.00 0.00 179.24 179.12 2nsr h ILE 142 N 0.37 1.23 -0.80 0.35 2.04 -1.24 -2.96 117.51 116.50 2nsr h ILE 142 Ca -0.01 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.08 2nsr h ILE 142 Cb 1.20 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 2nsr h ILE 142 CO 0.12 0.28 0.53 0.00 0.00 0.00 0.00 178.15 179.07 2nsr h ALA 143 N 0.91 1.58 -0.74 1.87 0.00 -0.64 0.22 119.26 122.47 2nsr h ALA 143 Ca 0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2nsr h ALA 143 Cb 0.34 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2nsr h ALA 143 CO 0.01 0.31 0.47 0.00 0.00 0.00 0.00 179.25 180.03 2nsr h ALA 144 N 1.55 0.98 -0.31 0.00 0.00 -1.22 -0.42 119.26 119.83 2nsr h ALA 144 Ca 0.34 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2nsr h ALA 144 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2nsr h ALA 144 CO -0.11 0.26 -0.23 0.87 0.00 0.00 0.00 179.25 180.04 2nsr h LYS 145 N 0.92 0.60 -0.37 0.00 1.79 -1.05 -2.41 116.57 116.04 2nsr h LYS 145 Ca 0.30 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 2nsr h LYS 145 Cb 0.02 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2nsr h LYS 145 CO -0.11 0.78 0.13 1.88 -1.08 0.00 0.00 179.45 181.05 2nsr h TYR 146 N 0.53 0.58 -0.78 -1.35 -1.99 -0.63 -2.39 116.97 110.95 2nsr h TYR 146 Ca 0.08 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.80 2nsr h TYR 146 Cb 0.68 -0.17 -0.05 0.00 2.00 0.00 0.00 36.73 39.19 2nsr h TYR 146 CO 0.03 0.55 0.49 -0.22 -0.00 0.00 0.00 178.16 179.00 2nsr h LYS 147 N 0.45 0.90 -0.57 4.88 3.64 -0.99 0.20 116.57 125.09 2nsr h LYS 147 Ca 0.12 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 2nsr h LYS 147 Cb 0.23 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 2nsr h LYS 147 CO -0.01 0.60 0.19 1.49 -2.27 0.00 0.00 179.45 179.45 2nsr h GLU 148 N 0.93 0.34 0.00 1.90 4.81 -1.22 0.43 114.58 121.78 2nsr h GLU 148 Ca 0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2nsr h GLU 148 Cb 0.07 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2nsr h GLU 148 CO -0.13 0.23 0.00 1.28 -0.73 0.00 0.00 179.01 179.65 2nsr n LEU 149 N -5.03 0.00 -1.99 1.64 4.77 -0.80 -4.90 117.00 110.70 2nsr n LEU 149 Ca 0.08 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 56.17 2nsr n LEU 149 Cb 0.26 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2nsr n LEU 149 CO 0.22 -0.00 -0.22 0.61 -1.33 0.00 0.00 177.39 176.67 2nsr n GLY 150 N 1.25 -0.34 3.76 -0.72 0.00 0.14 -4.96 105.19 104.32 2nsr n GLY 150 Ca 0.14 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2nsr n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nsr s PHE 151 N -2.87 3.66 -0.08 1.61 5.36 -0.16 -5.01 117.98 120.49 2nsr s PHE 151 Ca 0.01 1.13 0.01 0.00 -0.96 0.00 0.00 56.93 57.12 2nsr s PHE 151 Cb -0.00 -2.58 0.01 0.00 -0.34 0.00 0.00 43.02 40.10 2nsr s PHE 151 CO 0.01 0.34 0.52 1.04 -1.46 0.00 0.00 175.22 175.67