#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2olp n THR 2 N 0.00 0.00 -1.65 12.58 -2.24 -1.26 -4.93 114.28 116.78 2olp n THR 2 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2olp n THR 2 Cb 0.00 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 2olp n THR 2 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2olp s LEU 3 N 0.00 3.73 1.31 3.22 1.43 -1.26 -5.00 118.68 122.11 2olp s LEU 3 Ca 0.00 2.08 -0.19 0.00 -1.03 0.00 0.00 54.13 54.99 2olp s LEU 3 Cb 0.00 -3.52 0.33 0.00 0.03 0.00 0.00 46.19 43.03 2olp s LEU 3 CO 0.00 -1.68 0.99 0.42 0.23 0.00 0.00 176.35 176.31 2olp s THR 4 N 7.11 1.52 0.09 5.49 -4.23 -1.26 -4.81 115.64 119.55 2olp s THR 4 Ca 0.96 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.52 2olp s THR 4 Cb -0.35 -2.15 -0.23 0.00 1.34 0.00 0.00 72.50 71.11 2olp s THR 4 CO 0.37 0.00 1.19 0.78 -0.54 0.00 0.00 174.62 176.42 2olp h ASN 5 N -3.03 0.08 0.73 3.99 2.35 -2.00 -2.42 115.58 115.28 2olp h ASN 5 Ca -0.49 -0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 55.00 2olp h ASN 5 Cb 1.33 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.66 2olp h ASN 5 CO 0.37 1.07 -0.79 -0.65 -1.65 0.00 0.00 177.43 175.78 2olp h PRO 6 N 0.01 0.04 -0.73 0.81 0.11 -1.99 -3.06 132.00 127.19 2olp h PRO 6 Ca -0.06 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 2olp h PRO 6 Cb 1.83 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.92 2olp h PRO 6 CO 0.14 0.80 0.32 1.96 -0.21 0.00 0.00 178.00 181.01 2olp h GLN 7 N 0.02 1.06 -0.66 1.05 4.20 -1.90 -1.38 115.11 117.51 2olp h GLN 7 Ca -0.01 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.45 2olp h GLN 7 Cb 1.39 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 2olp h GLN 7 CO 0.11 0.85 0.12 0.87 -0.67 0.00 0.00 178.83 180.10 2olp h LYS 8 N 1.05 1.08 -0.51 1.46 1.57 -1.51 -1.57 116.57 118.14 2olp h LYS 8 Ca 0.25 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2olp h LYS 8 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2olp h LYS 8 CO -0.03 0.98 -0.17 0.00 -0.57 0.00 0.00 179.45 179.66 2olp h ALA 9 N 1.10 0.71 -0.84 3.86 0.00 -1.41 -1.64 119.26 121.05 2olp h ALA 9 Ca 0.20 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2olp h ALA 9 Cb 0.42 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2olp h ALA 9 CO 0.01 0.67 0.49 0.00 0.00 0.00 0.00 179.25 180.42 2olp h ALA 10 N 0.89 1.29 -0.43 0.00 0.00 -1.09 -0.31 119.26 119.62 2olp h ALA 10 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2olp h ALA 10 Cb 0.75 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2olp h ALA 10 CO 0.06 0.60 0.18 0.82 0.00 0.00 0.00 179.25 180.91 2olp h ILE 11 N 1.16 1.19 -0.50 0.00 2.04 -1.14 -0.78 117.51 119.48 2olp h ILE 11 Ca 0.30 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2olp h ILE 11 Cb -0.02 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2olp h ILE 11 CO -0.05 0.22 0.20 0.03 0.00 0.00 0.00 178.15 178.55 2olp h ARG 12 N 0.54 0.75 -0.07 2.37 3.08 -0.98 0.79 114.38 120.88 2olp h ARG 12 Ca 0.14 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 2olp h ARG 12 Cb 0.17 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2olp h ARG 12 CO -0.01 0.67 -0.66 0.77 -1.07 0.00 0.00 179.97 179.66 2olp h SER 13 N 0.67 0.34 -0.01 7.04 0.02 -1.00 -1.18 113.55 119.43 2olp h SER 13 Ca 0.17 -0.21 -0.19 0.00 -0.84 0.00 0.00 61.79 60.72 2olp h SER 13 Cb 0.19 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2olp h SER 13 CO -0.01 0.90 -0.66 0.77 -1.14 0.00 0.00 176.83 176.68 2olp h SER 14 N 0.21 0.73 0.26 3.07 4.64 -1.07 -3.08 113.55 118.31 2olp h SER 14 Ca -0.02 -0.44 -0.08 0.00 -0.47 0.00 0.00 61.79 60.78 2olp h SER 14 Cb 1.20 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2olp h SER 14 CO 0.11 1.20 -0.34 -0.25 -0.87 0.00 0.00 176.83 176.68 2olp h TRP 15 N 0.46 0.14 -0.58 4.77 2.91 -0.74 -2.08 115.95 120.83 2olp h TRP 15 Ca -0.02 -0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.06 2olp h TRP 15 Cb 1.25 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.80 2olp h TRP 15 CO 0.06 0.45 0.21 1.03 -1.03 0.00 0.00 178.44 179.15 2olp h SER 16 N 0.11 0.20 -0.72 2.65 0.87 -1.15 0.49 113.55 115.99 2olp h SER 16 Ca 0.01 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2olp h SER 16 Cb 0.65 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 2olp h SER 16 CO 0.05 0.12 0.47 0.11 -0.53 0.00 0.00 176.83 177.05 2olp h LYS 17 N 0.38 0.95 -0.24 2.24 1.57 -1.30 -0.41 116.57 119.78 2olp h LYS 17 Ca 0.29 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2olp h LYS 17 Cb 0.35 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2olp h LYS 17 CO -0.30 0.64 0.09 0.35 -0.57 0.00 0.00 179.45 179.67 2olp h PHE 18 N 0.98 0.36 0.00 -1.35 3.57 -1.30 -3.17 116.94 116.03 2olp h PHE 18 Ca 0.26 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 2olp h PHE 18 Cb -0.09 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 2olp h PHE 18 CO -0.02 0.39 -0.10 0.52 -2.23 0.00 0.00 178.31 176.87 2olp h MET 19 N 0.23 0.00 -0.33 1.11 2.86 -0.47 -2.38 114.93 115.95 2olp h MET 19 Ca 0.08 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.81 2olp h MET 19 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2olp h MET 19 CO -0.01 0.10 0.35 -0.44 1.06 0.00 0.00 176.91 177.98 2olp h ASP 20 N 0.00 0.00 -1.96 1.22 3.32 -1.05 -1.63 116.42 116.32 2olp h ASP 20 Ca -0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2olp h ASP 20 Cb 0.67 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.82 2olp h ASP 20 CO 0.01 0.00 -1.08 0.59 -1.72 0.00 0.00 179.24 177.04 2olp n ASN 21 N -3.78 1.66 0.06 6.45 3.02 -0.91 -5.02 115.26 116.74 2olp n ASN 21 Ca 0.05 -3.13 -0.13 0.00 -0.03 0.00 0.00 54.58 51.35 2olp n ASN 21 Cb 0.51 -0.60 -0.08 0.00 -0.61 0.00 0.00 39.78 39.00 2olp n ASN 21 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2olp h GLY 22 N 2.99 -0.12 0.98 7.41 0.00 -1.14 0.15 103.07 113.34 2olp h GLY 22 Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2olp h GLY 22 CO 0.57 -0.04 0.27 -2.08 0.00 0.00 0.00 176.54 175.26 2olp h VAL 23 N -0.33 1.17 -0.67 4.60 2.07 -1.88 0.14 116.25 121.34 2olp h VAL 23 Ca -0.01 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.13 2olp h VAL 23 Cb 0.28 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 2olp h VAL 23 CO 0.02 0.18 0.39 -1.28 0.02 0.00 0.00 177.57 176.90 2olp h SER 24 N 0.66 0.61 0.55 0.57 0.87 -1.91 -1.78 113.55 113.12 2olp h SER 24 Ca 0.18 0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.58 2olp h SER 24 Cb 0.05 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2olp h SER 24 CO -0.03 0.40 -0.77 0.78 -0.53 0.00 0.00 176.83 176.69 2olp h ASN 25 N 0.74 0.21 -0.58 6.23 2.35 -0.03 -1.47 115.58 123.03 2olp h ASN 25 Ca 0.29 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2olp h ASN 25 Cb 0.13 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2olp h ASN 25 CO -0.15 0.89 0.15 1.23 -1.65 0.00 0.00 177.43 177.90 2olp h GLY 26 N 1.82 0.99 0.76 2.83 0.00 -0.60 0.27 103.07 109.13 2olp h GLY 26 Ca -0.03 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 46.73 2olp h GLY 26 CO 0.11 0.57 0.20 1.46 0.00 0.00 0.00 176.54 178.88 2olp h GLN 27 N 0.83 0.39 -0.81 4.80 4.20 -1.12 -1.11 115.11 122.29 2olp h GLN 27 Ca 0.18 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.88 2olp h GLN 27 Cb 0.33 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2olp h GLN 27 CO -0.00 0.26 0.53 0.78 -0.67 0.00 0.00 178.83 179.73 2olp h GLY 28 N 0.41 1.15 0.70 3.46 0.00 -0.99 -1.54 103.07 106.25 2olp h GLY 28 Ca 0.18 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2olp h GLY 28 CO -0.14 0.43 -0.28 -2.75 0.00 0.00 0.00 176.54 173.80 2olp h PHE 29 N 1.10 -0.76 -0.92 5.60 3.57 -0.64 -1.41 116.94 123.48 2olp h PHE 29 Ca 0.30 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.88 2olp h PHE 29 Cb -0.12 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 2olp h PHE 29 CO 0.00 -0.41 0.58 1.88 -2.23 0.00 0.00 178.31 178.13 2olp h TYR 30 N -0.61 1.06 -0.59 0.41 -1.99 -0.89 0.13 116.97 114.50 2olp h TYR 30 Ca -0.01 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2olp h TYR 30 Cb 0.55 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 38.91 2olp h TYR 30 CO -0.17 0.51 0.34 0.52 -0.00 0.00 0.00 178.16 179.36 2olp h MET 31 N 1.02 0.81 -0.24 4.88 2.86 -1.16 0.38 114.93 123.48 2olp h MET 31 Ca 0.42 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 58.00 2olp h MET 31 Cb 0.25 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2olp h MET 31 CO -0.20 0.59 0.09 -0.44 1.06 0.00 0.00 176.91 178.01 2olp h ASP 32 N 0.79 0.10 -0.24 1.22 5.19 -0.64 -1.74 116.42 121.10 2olp h ASP 32 Ca 0.21 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 2olp h ASP 32 Cb 0.01 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2olp h ASP 32 CO -0.04 0.09 0.11 0.25 -3.12 0.00 0.00 179.24 176.53 2olp h LEU 33 N 0.20 0.33 -1.32 1.55 5.85 -0.07 -0.02 115.31 121.83 2olp h LEU 33 Ca 0.10 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2olp h LEU 33 Cb 0.07 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2olp h LEU 33 CO -0.10 0.38 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.82 2olp h PHE 34 N 0.25 0.06 -0.05 1.25 0.04 -0.20 0.17 116.94 118.46 2olp h PHE 34 Ca 0.08 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 2olp h PHE 34 Cb 0.15 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2olp h PHE 34 CO -0.01 0.36 -0.11 -0.22 -0.60 0.00 0.00 178.31 177.72 2olp h LYS 35 N 0.05 0.16 -0.02 1.51 3.64 -1.06 -3.05 116.57 117.81 2olp h LYS 35 Ca 0.01 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 2olp h LYS 35 Cb 0.57 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2olp h LYS 35 CO 0.04 0.70 -0.77 0.00 -2.27 0.00 0.00 179.45 177.15 2olp h ALA 36 N 0.46 0.66 -2.27 5.00 0.00 -0.59 -3.38 119.26 119.14 2olp h ALA 36 Ca 0.00 -0.66 -0.58 0.00 0.00 0.00 0.00 54.91 53.67 2olp h ALA 36 Cb 0.70 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 18.02 2olp h ALA 36 CO 0.02 0.85 -0.99 0.72 0.00 0.00 0.00 179.25 179.86 2olp n HIS 37 N -3.73 -0.34 0.31 0.00 8.25 0.55 -5.00 115.22 115.25 2olp n HIS 37 Ca -0.03 -3.48 0.19 0.00 -0.26 0.00 0.00 57.72 54.15 2olp n HIS 37 Cb 0.73 -0.02 0.94 0.00 1.12 0.00 0.00 29.99 32.76 2olp n HIS 37 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2olp h PRO 38 N 5.01 0.00 0.00 -0.41 0.11 -1.71 -0.84 132.00 134.15 2olp h PRO 38 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2olp h PRO 38 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2olp h PRO 38 CO 0.44 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.28 2olp h GLU 39 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.20 114.58 121.60 2olp h GLU 39 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2olp h GLU 39 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 2olp h GLU 39 CO 0.00 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.31 2olp n THR 40 N -3.06 1.05 0.12 -1.06 -2.24 -0.32 -1.80 114.28 106.96 2olp n THR 40 Ca -0.02 0.41 -0.02 0.00 -2.27 0.00 0.00 64.05 62.16 2olp n THR 40 Cb 0.16 -1.34 0.21 0.00 -2.10 0.00 0.00 70.33 67.26 2olp n THR 40 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2olp h LEU 41 N 0.00 0.15 -0.32 3.22 3.38 -1.42 -3.36 115.31 116.97 2olp h LEU 41 Ca 0.00 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2olp h LEU 41 Cb 0.20 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2olp h LEU 41 CO 0.00 0.62 0.20 0.74 0.09 0.00 0.00 178.44 180.09 2olp h THR 42 N 0.11 1.06 0.00 0.22 2.02 -1.54 -1.54 112.91 113.25 2olp h THR 42 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2olp h THR 42 Cb 0.91 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2olp h THR 42 CO 0.07 0.07 0.00 -0.65 0.37 0.00 0.00 175.52 175.39 2olp h PRO 43 N 0.41 0.00 -0.08 6.66 0.11 -1.76 -1.99 132.00 135.35 2olp h PRO 43 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2olp h PRO 43 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.08 2olp h PRO 43 CO -0.04 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.94 2olp n PHE 44 N -2.60 0.10 -0.23 0.65 3.72 -0.58 -4.39 117.46 114.14 2olp n PHE 44 Ca -0.02 -0.05 -0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2olp n PHE 44 Cb 0.07 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.73 2olp n PHE 44 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2olp h LYS 45 N 0.81 0.56 -0.11 -1.08 3.64 -1.44 0.89 116.57 119.84 2olp h LYS 45 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2olp h LYS 45 Cb 0.18 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2olp h LYS 45 CO 0.00 0.37 0.07 1.03 -2.27 0.00 0.00 179.45 178.66 2olp h SER 46 N 0.58 0.13 -0.25 4.20 0.87 -1.85 0.21 113.55 117.44 2olp h SER 46 Ca 0.32 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 2olp h SER 46 Cb 0.30 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2olp h SER 46 CO -0.24 0.11 -0.18 0.25 -0.53 0.00 0.00 176.83 176.23 2olp h LEU 47 N 0.14 0.60 0.00 2.23 5.85 -1.62 -3.14 115.31 119.37 2olp h LEU 47 Ca 0.04 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 2olp h LEU 47 Cb -0.01 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2olp h LEU 47 CO -0.01 0.91 -0.34 -0.26 -0.34 0.00 0.00 178.44 178.40 2olp h PHE 48 N 0.29 0.00 0.00 1.25 0.04 -0.83 -3.46 116.94 114.23 2olp h PHE 48 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2olp h PHE 48 Cb 0.72 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.87 2olp h PHE 48 CO 0.07 0.09 0.00 0.41 -0.60 0.00 0.00 178.31 178.28 2olp n GLY 49 N 1.15 1.35 2.17 -1.45 0.00 0.73 -0.97 105.19 108.17 2olp n GLY 49 Ca 0.02 0.62 -0.30 0.00 0.00 0.00 0.00 46.02 46.37 2olp n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2olp n GLY 50 N 0.00 5.87 3.77 -0.02 0.00 -1.26 -4.94 105.19 108.60 2olp n GLY 50 Ca 0.00 -2.25 -0.36 0.00 0.00 0.00 0.00 46.02 43.41 2olp n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2olp s LEU 51 N -3.70 3.92 0.59 0.99 1.43 -0.14 -5.11 118.68 116.66 2olp s LEU 51 Ca 0.60 0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.83 2olp s LEU 51 Cb 0.48 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2olp s LEU 51 CO 0.01 0.38 1.03 0.42 0.23 0.00 0.00 176.35 178.43 2olp s THR 52 N -0.96 4.22 0.33 5.49 -4.23 -1.26 -4.95 115.64 114.28 2olp s THR 52 Ca 0.15 0.94 0.12 0.00 -1.18 0.00 0.00 61.69 61.72 2olp s THR 52 Cb -0.12 -3.57 0.32 0.00 1.34 0.00 0.00 72.50 70.48 2olp s THR 52 CO 0.04 -0.73 1.70 -0.07 -0.54 0.00 0.00 174.62 175.02 2olp h LEU 53 N 0.26 0.60 -1.24 4.79 4.07 -2.00 -1.39 115.31 120.41 2olp h LEU 53 Ca -0.46 0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.59 2olp h LEU 53 Cb 1.20 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 2olp h LEU 53 CO 0.59 0.00 -0.36 0.00 -1.08 0.00 0.00 178.44 177.59 2olp h ALA 54 N 1.78 1.25 -0.70 1.53 0.00 -2.01 -2.80 119.26 118.31 2olp h ALA 54 Ca 0.68 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2olp h ALA 54 Cb 1.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2olp h ALA 54 CO -0.53 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.17 2olp n GLN 55 N -3.88 2.62 -0.12 0.00 10.64 -0.54 -4.28 117.38 121.81 2olp n GLN 55 Ca -0.01 -2.51 -0.10 0.00 -1.83 0.00 0.00 57.00 52.54 2olp n GLN 55 Cb 0.42 -1.54 -0.02 0.00 -0.86 0.00 0.00 30.24 28.24 2olp n GLN 55 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2olp h LEU 56 N 4.09 0.53 -9.32 2.61 3.38 -1.31 -3.36 115.31 111.92 2olp h LEU 56 Ca 0.00 -0.23 -0.62 0.00 0.09 0.00 0.00 57.88 57.12 2olp h LEU 56 Cb 0.93 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 41.57 2olp h LEU 56 CO 0.00 0.62 0.99 1.67 0.09 0.00 0.00 178.44 181.81 2olp n GLN 57 N -4.61 2.07 -0.84 1.13 -0.06 -1.26 -1.47 117.38 112.33 2olp n GLN 57 Ca -0.01 0.75 0.00 0.00 -2.00 0.00 0.00 57.00 55.74 2olp n GLN 57 Cb 0.20 -2.56 0.00 0.00 -4.06 0.00 0.00 30.24 23.81 2olp n GLN 57 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2olp n ASP 58 N 5.60 -0.90 -4.77 1.69 8.00 -1.26 -4.99 116.55 119.92 2olp n ASP 58 Ca 0.21 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.33 2olp n ASP 58 Cb 0.28 -1.18 -0.02 0.00 -0.02 0.00 0.00 41.12 40.18 2olp n ASP 58 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2olp s ASN 59 N -2.46 6.47 0.51 -2.24 3.84 -0.54 -4.81 114.94 115.70 2olp s ASN 59 Ca 0.00 2.38 0.26 0.00 0.21 0.00 0.00 52.86 55.71 2olp s ASN 59 Cb 0.00 -2.62 1.36 0.00 -0.55 0.00 0.00 41.25 39.45 2olp s ASN 59 CO 0.00 -0.72 1.94 -0.65 -2.79 0.00 0.00 177.10 174.89 2olp h PRO 60 N 2.60 0.07 -0.38 0.43 0.11 -1.94 0.94 132.00 133.83 2olp h PRO 60 Ca -0.49 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2olp h PRO 60 Cb 1.24 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2olp h PRO 60 CO 0.62 0.05 -0.13 0.87 -0.21 0.00 0.00 178.00 179.20 2olp h LYS 61 N 0.08 0.75 -0.02 1.05 1.57 -1.92 -0.64 116.57 117.44 2olp h LYS 61 Ca 0.34 -0.31 -0.19 0.00 -1.87 0.00 0.00 60.65 58.62 2olp h LYS 61 Cb 1.22 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2olp h LYS 61 CO -0.03 0.91 -0.80 1.98 -0.57 0.00 0.00 179.45 180.94 2olp h MET 62 N 0.55 0.24 -0.42 3.15 4.05 -1.30 -2.28 114.93 118.93 2olp h MET 62 Ca 0.09 -0.23 -0.13 0.00 -0.28 0.00 0.00 59.70 59.15 2olp h MET 62 Cb 0.66 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 2olp h MET 62 CO 0.04 0.92 -0.25 0.87 0.23 0.00 0.00 176.91 178.72 2olp h LYS 63 N 0.15 0.87 -0.55 0.39 1.57 -0.83 -0.52 116.57 117.64 2olp h LYS 63 Ca -0.04 -0.38 -0.05 0.00 -1.87 0.00 0.00 60.65 58.31 2olp h LYS 63 Cb 1.40 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 2olp h LYS 63 CO 0.13 1.02 0.13 0.00 -0.57 0.00 0.00 179.45 180.16 2olp h ALA 64 N 0.96 0.73 -0.28 3.86 0.00 -1.05 -0.19 119.26 123.29 2olp h ALA 64 Ca 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2olp h ALA 64 Cb 0.80 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2olp h ALA 64 CO 0.07 0.43 0.16 0.37 0.00 0.00 0.00 179.25 180.27 2olp h GLN 65 N 0.78 0.38 -0.37 0.00 5.75 -1.22 -1.21 115.11 119.22 2olp h GLN 65 Ca 0.17 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.68 2olp h GLN 65 Cb 0.34 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 2olp h GLN 65 CO 0.00 0.32 0.12 1.03 -2.65 0.00 0.00 178.83 177.66 2olp h SER 66 N 0.34 0.12 -0.48 -0.69 0.87 -0.91 -0.90 113.55 111.91 2olp h SER 66 Ca 0.10 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.77 2olp h SER 66 Cb 0.05 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 2olp h SER 66 CO -0.02 0.11 0.14 0.25 -0.53 0.00 0.00 176.83 176.78 2olp h LEU 67 N 0.27 0.11 -0.70 2.23 5.85 -0.72 0.18 115.31 122.54 2olp h LEU 67 Ca 0.17 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 2olp h LEU 67 Cb 0.15 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2olp h LEU 67 CO -0.18 0.09 -0.47 -0.37 -0.34 0.00 0.00 178.44 177.18 2olp h VAL 68 N 0.30 1.32 -0.04 1.05 -1.51 -1.00 0.21 116.25 116.58 2olp h VAL 68 Ca 0.23 -1.68 0.02 0.00 -1.23 0.00 0.00 66.70 64.05 2olp h VAL 68 Cb 0.27 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 2olp h VAL 68 CO -0.26 0.51 -0.08 0.15 -1.23 0.00 0.00 177.57 176.66 2olp h PHE 69 N 0.35 -0.20 -0.85 5.19 3.57 -0.85 -0.22 116.94 123.93 2olp h PHE 69 Ca 0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2olp h PHE 69 Cb 0.96 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 2olp h PHE 69 CO 0.03 -0.13 0.50 0.00 -2.23 0.00 0.00 178.31 176.49 2olp h ASN 71 N 1.17 0.73 0.15 0.00 2.35 -0.73 0.13 115.58 119.40 2olp h ASN 71 Ca 0.30 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2olp h ASN 71 Cb -0.03 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.15 2olp h ASN 71 CO -0.06 0.82 -0.07 1.23 -1.65 0.00 0.00 177.43 177.71 2olp h GLY 72 N 0.97 -0.22 0.92 2.83 0.00 -0.35 -0.79 103.07 106.43 2olp h GLY 72 Ca 0.13 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.56 2olp h GLY 72 CO 0.02 -0.08 0.40 -0.33 0.00 0.00 0.00 176.54 176.55 2olp h MET 73 N -0.61 0.77 -0.78 4.80 2.86 -0.84 -2.53 114.93 118.60 2olp h MET 73 Ca -0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2olp h MET 73 Cb 0.46 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 2olp h MET 73 CO 0.03 0.51 0.49 0.77 1.06 0.00 0.00 176.91 179.77 2olp h SER 74 N 0.79 0.92 -0.79 1.22 0.02 -0.72 -0.70 113.55 114.29 2olp h SER 74 Ca 0.24 -0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.25 2olp h SER 74 Cb -0.02 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 2olp h SER 74 CO -0.08 0.69 0.51 0.77 -1.14 0.00 0.00 176.83 177.58 2olp h SER 75 N 1.07 0.64 0.01 3.07 4.64 -0.72 0.28 113.55 122.54 2olp h SER 75 Ca 0.28 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 2olp h SER 75 Cb -0.08 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2olp h SER 75 CO -0.06 0.38 -0.07 -0.26 -0.87 0.00 0.00 176.83 175.96 2olp h PHE 76 N 0.71 0.06 -0.68 4.77 0.04 -1.10 -3.18 116.94 117.56 2olp h PHE 76 Ca 0.36 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 61.15 2olp h PHE 76 Cb 0.45 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.54 2olp h PHE 76 CO -0.00 0.92 0.38 0.28 -0.60 0.00 0.00 178.31 179.30 2olp h VAL 77 N -0.83 0.98 0.00 -0.55 2.07 -0.92 -2.70 116.25 114.30 2olp h VAL 77 Ca -0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2olp h VAL 77 Cb 0.95 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2olp h VAL 77 CO 0.01 0.13 0.00 0.47 0.02 0.00 0.00 177.57 178.20 2olp n ASP 78 N -4.77 0.36 -0.64 0.57 8.00 0.98 -3.24 116.55 117.80 2olp n ASP 78 Ca 0.09 0.58 0.05 0.00 0.71 0.00 0.00 54.79 56.22 2olp n ASP 78 Cb 0.17 -0.66 0.20 0.00 -0.02 0.00 0.00 41.12 40.82 2olp n ASP 78 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2olp n HIS 79 N -1.88 0.07 0.28 1.24 8.25 -1.02 -4.76 115.22 117.40 2olp n HIS 79 Ca 0.03 -1.52 0.12 0.00 -0.26 0.00 0.00 57.72 56.10 2olp n HIS 79 Cb 0.23 -0.25 0.80 0.00 1.12 0.00 0.00 29.99 31.89 2olp n HIS 79 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2olp h LEU 80 N 1.03 0.00 -2.14 2.41 3.38 -1.53 -1.78 115.31 116.68 2olp h LEU 80 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2olp h LEU 80 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2olp h LEU 80 CO 0.02 0.01 0.00 0.47 0.09 0.00 0.00 178.44 179.03 2olp n ASP 81 N -4.12 3.11 -3.66 -0.43 8.00 -1.26 -4.57 116.55 113.63 2olp n ASP 81 Ca -0.03 -1.99 -0.28 0.00 0.71 0.00 0.00 54.79 53.20 2olp n ASP 81 Cb 0.09 -0.38 -0.11 0.00 -0.02 0.00 0.00 41.12 40.69 2olp n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2olp s ASP 82 N -1.02 3.24 0.25 -2.24 -1.08 -0.67 -4.99 116.67 110.16 2olp s ASP 82 Ca 0.39 -3.31 -0.05 0.00 -0.52 0.00 0.00 52.55 49.05 2olp s ASP 82 Cb 0.20 -1.04 0.29 0.00 -1.46 0.00 0.00 42.92 40.91 2olp s ASP 82 CO 0.27 -0.15 1.89 -1.13 0.52 0.00 0.00 175.17 176.57 2olp h ASN 83 N 5.74 1.06 -0.74 -0.34 -0.73 -1.81 -0.99 115.58 117.77 2olp h ASN 83 Ca 0.17 -0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 2olp h ASN 83 Cb 0.85 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 39.14 2olp h ASN 83 CO 0.53 0.84 0.33 0.44 -0.37 0.00 0.00 177.43 179.20 2olp h ASP 84 N 1.21 0.99 -0.35 1.15 3.32 -1.94 -1.24 116.42 119.56 2olp h ASP 84 Ca 0.31 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 2olp h ASP 84 Cb -0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2olp h ASP 84 CO -0.05 0.87 -0.17 -0.03 -1.72 0.00 0.00 179.24 178.14 2olp h MET 85 N 1.05 0.73 -0.59 3.56 4.05 -1.80 -2.65 114.93 119.28 2olp h MET 85 Ca 0.25 -0.32 0.05 0.00 -0.28 0.00 0.00 59.70 59.40 2olp h MET 85 Cb 0.16 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.89 2olp h MET 85 CO -0.03 0.93 0.33 1.25 0.23 0.00 0.00 176.91 179.62 2olp h LEU 86 N 0.52 0.49 -0.68 3.39 5.85 -0.97 -1.51 115.31 122.40 2olp h LEU 86 Ca 0.08 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2olp h LEU 86 Cb 0.70 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2olp h LEU 86 CO 0.05 0.33 0.34 0.58 -0.34 0.00 0.00 178.44 179.40 2olp h VAL 87 N 0.62 1.23 -0.67 1.05 2.07 -1.14 -0.90 116.25 118.51 2olp h VAL 87 Ca 0.26 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2olp h VAL 87 Cb 0.12 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2olp h VAL 87 CO -0.15 0.26 0.36 0.58 0.02 0.00 0.00 177.57 178.64 2olp h VAL 88 N 0.95 1.21 -0.70 2.57 2.07 -1.08 -0.75 116.25 120.51 2olp h VAL 88 Ca 0.24 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2olp h VAL 88 Cb 0.10 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2olp h VAL 88 CO -0.03 0.23 0.40 -0.07 0.02 0.00 0.00 177.57 178.12 2olp h LEU 89 N 0.92 0.86 -0.47 2.57 3.38 -0.84 0.10 115.31 121.82 2olp h LEU 89 Ca 0.23 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2olp h LEU 89 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2olp h LEU 89 CO -0.04 0.69 -0.06 0.40 0.09 0.00 0.00 178.44 179.52 2olp h ILE 90 N 0.96 1.27 -0.64 1.22 2.04 -0.87 -2.11 117.51 119.38 2olp h ILE 90 Ca 0.25 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 2olp h ILE 90 Cb 0.00 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2olp h ILE 90 CO -0.04 0.40 0.17 1.56 0.00 0.00 0.00 178.15 180.24 2olp h GLN 91 N 0.73 0.98 -0.36 2.37 4.20 -0.76 0.19 115.11 122.45 2olp h GLN 91 Ca 0.13 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 2olp h GLN 91 Cb 0.59 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2olp h GLN 91 CO 0.04 0.86 0.07 0.87 -0.67 0.00 0.00 178.83 180.00 2olp h LYS 92 N 0.95 0.54 -0.02 1.46 1.57 -0.64 -0.76 116.57 119.66 2olp h LYS 92 Ca 0.21 -0.09 -0.22 0.00 -1.87 0.00 0.00 60.65 58.67 2olp h LYS 92 Cb 0.31 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2olp h LYS 92 CO -0.00 0.52 -0.91 1.98 -0.57 0.00 0.00 179.45 180.47 2olp h MET 93 N 0.53 0.45 -0.40 3.15 4.05 -0.86 -3.07 114.93 118.78 2olp h MET 93 Ca 0.12 -0.46 -0.01 0.00 -0.28 0.00 0.00 59.70 59.07 2olp h MET 93 Cb 0.24 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 2olp h MET 93 CO 0.00 1.11 0.19 0.00 0.23 0.00 0.00 176.91 178.44 2olp h ALA 94 N 0.74 0.51 -0.45 0.39 0.00 -0.56 -2.55 119.26 117.34 2olp h ALA 94 Ca -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2olp h ALA 94 Cb 1.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2olp h ALA 94 CO 0.16 0.07 0.16 -0.22 0.00 0.00 0.00 179.25 179.43 2olp h LYS 95 N 0.50 0.69 -0.42 0.00 3.64 -1.18 0.30 116.57 120.11 2olp h LYS 95 Ca 0.14 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2olp h LYS 95 Cb 0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2olp h LYS 95 CO -0.02 0.64 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.69 2olp h LEU 96 N 0.59 0.67 0.05 5.20 3.38 -1.51 -1.30 115.31 122.39 2olp h LEU 96 Ca 0.15 -0.16 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 2olp h LEU 96 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2olp h LEU 96 CO -0.01 0.77 -1.10 0.45 0.09 0.00 0.00 178.44 178.64 2olp h HIS 97 N 0.65 0.21 -0.85 1.13 3.86 -1.01 -3.06 115.15 116.08 2olp h HIS 97 Ca 0.12 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2olp h HIS 97 Cb 0.46 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 2olp h HIS 97 CO 0.02 1.12 0.54 -0.97 0.86 0.00 0.00 177.93 179.50 2olp h ASN 98 N 0.03 0.99 -0.13 2.45 -1.24 -0.15 -1.26 115.58 116.27 2olp h ASN 98 Ca -0.06 -0.04 0.04 0.00 0.71 0.00 0.00 56.30 56.95 2olp h ASN 98 Cb 1.85 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 40.65 2olp h ASN 98 CO 0.16 0.74 0.13 0.78 -1.29 0.00 0.00 177.43 177.95 2olp h ASN 99 N 1.16 0.00 0.13 1.15 2.35 -1.13 -0.74 115.58 118.49 2olp h ASN 99 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2olp h ASN 99 Cb -0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2olp h ASN 99 CO -0.06 0.00 -0.24 0.54 -1.65 0.00 0.00 177.43 176.01 2olp n ARG 100 N -3.92 1.14 -0.67 0.81 1.74 -0.52 -4.94 116.66 110.30 2olp n ARG 100 Ca 0.00 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.32 2olp n ARG 100 Cb 0.25 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2olp n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2olp n GLY 101 N 1.33 0.69 3.71 -0.13 0.00 -0.28 -5.02 105.19 105.48 2olp n GLY 101 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2olp n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2olp s ILE 102 N -2.16 4.93 0.35 -0.61 1.01 -0.93 -5.01 121.20 118.77 2olp s ILE 102 Ca 0.00 1.81 -0.06 0.00 0.00 0.00 0.00 60.65 62.40 2olp s ILE 102 Cb 0.00 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 2olp s ILE 102 CO 0.00 0.17 0.63 -0.13 0.00 0.00 0.00 174.94 175.61 2olp s ARG 103 N 1.10 3.64 0.39 2.79 0.52 -1.26 -4.13 118.95 122.01 2olp s ARG 103 Ca 0.46 0.10 0.09 0.00 -0.52 0.00 0.00 55.73 55.85 2olp s ARG 103 Cb -0.19 -2.56 0.86 0.00 0.52 0.00 0.00 34.95 33.58 2olp s ARG 103 CO 0.23 0.10 1.98 0.00 0.02 0.00 0.00 175.30 177.62 2olp h ALA 104 N 1.31 1.81 -0.57 2.13 0.00 -1.96 -1.22 119.26 120.76 2olp h ALA 104 Ca -0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2olp h ALA 104 Cb 1.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2olp h ALA 104 CO 0.65 0.08 0.29 0.66 0.00 0.00 0.00 179.25 180.93 2olp h SER 105 N 0.60 0.71 -0.37 0.00 4.64 -1.96 0.23 113.55 117.39 2olp h SER 105 Ca 0.27 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 2olp h SER 105 Cb 0.30 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2olp h SER 105 CO -0.08 0.59 0.04 0.44 -0.87 0.00 0.00 176.83 176.95 2olp h ASP 106 N 0.80 0.61 -0.77 4.97 3.32 -1.62 -1.87 116.42 121.85 2olp h ASP 106 Ca 0.20 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 2olp h ASP 106 Cb 0.06 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 2olp h ASP 106 CO -0.03 0.73 0.27 -0.07 -1.72 0.00 0.00 179.24 178.42 2olp h LEU 107 N 0.46 1.10 -0.03 1.55 3.38 -0.91 -1.83 115.31 119.03 2olp h LEU 107 Ca 0.11 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2olp h LEU 107 Cb 0.40 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2olp h LEU 107 CO 0.01 1.00 -0.11 -0.09 0.09 0.00 0.00 178.44 179.35 2olp h ARG 108 N 1.14 -0.16 -0.70 1.13 9.65 -0.43 -1.45 114.38 123.56 2olp h ARG 108 Ca 0.25 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.27 2olp h ARG 108 Cb 0.27 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.80 2olp h ARG 108 CO -0.01 -0.11 0.25 1.15 2.80 0.00 0.00 179.97 184.05 2olp h THR 109 N -0.17 0.68 -0.95 0.20 2.02 -1.20 -2.23 112.91 111.26 2olp h THR 109 Ca 0.05 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 2olp h THR 109 Cb 0.23 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 2olp h THR 109 CO -0.13 0.07 0.57 0.00 0.37 0.00 0.00 175.52 176.41 2olp h ALA 110 N 1.51 1.22 -0.81 6.16 0.00 -0.82 -1.47 119.26 125.05 2olp h ALA 110 Ca 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2olp h ALA 110 Cb 0.54 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2olp h ALA 110 CO -0.38 0.67 0.41 1.88 0.00 0.00 0.00 179.25 181.83 2olp h TYR 111 N 1.31 1.13 -0.69 0.00 0.05 -0.75 0.37 116.97 118.38 2olp h TYR 111 Ca 0.34 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 59.09 2olp h TYR 111 Cb -0.05 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 37.29 2olp h TYR 111 CO 0.01 0.80 0.45 -0.44 -1.05 0.00 0.00 178.16 177.93 2olp h ASP 112 N 1.14 0.78 -0.84 3.88 3.32 -0.90 -0.23 116.42 123.56 2olp h ASP 112 Ca 0.28 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2olp h ASP 112 Cb 0.07 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2olp h ASP 112 CO -0.04 0.56 0.41 0.40 -1.72 0.00 0.00 179.24 178.84 2olp h ILE 113 N 0.92 1.26 -0.32 0.35 1.08 -0.74 -1.84 117.51 118.21 2olp h ILE 113 Ca 0.26 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 63.96 2olp h ILE 113 Cb -0.08 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 33.83 2olp h ILE 113 CO -0.07 0.31 0.03 0.25 -0.69 0.00 0.00 178.15 177.99 2olp h LEU 114 N 1.21 0.53 -0.45 1.44 5.85 -0.38 0.45 115.31 123.95 2olp h LEU 114 Ca 0.29 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2olp h LEU 114 Cb 0.12 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2olp h LEU 114 CO -0.04 0.68 0.24 0.40 -0.34 0.00 0.00 178.44 179.38 2olp h ILE 115 N 0.37 0.99 -0.75 4.05 2.04 -0.94 -0.80 117.51 122.47 2olp h ILE 115 Ca 0.10 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2olp h ILE 115 Cb 0.39 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2olp h ILE 115 CO 0.01 0.09 0.43 0.45 0.00 0.00 0.00 178.15 179.13 2olp h HIS 116 N 0.48 1.01 -0.15 1.37 3.86 -1.17 -0.82 115.15 119.72 2olp h HIS 116 Ca 0.19 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.43 2olp h HIS 116 Cb 0.08 -0.33 -0.05 0.00 1.06 0.00 0.00 27.41 28.17 2olp h HIS 116 CO -0.09 0.69 -0.15 -0.92 0.86 0.00 0.00 177.93 178.32 2olp h TYR 117 N 1.03 -0.38 -0.78 2.45 3.20 -0.60 0.97 116.97 122.85 2olp h TYR 117 Ca 0.27 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.20 2olp h TYR 117 Cb -0.00 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 2olp h TYR 117 CO -0.01 -0.22 0.49 0.52 -1.64 0.00 0.00 178.16 177.31 2olp h MET 118 N -0.17 0.93 -0.28 1.82 2.86 -0.92 -1.27 114.93 117.89 2olp h MET 118 Ca 0.10 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2olp h MET 118 Cb 0.32 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2olp h MET 118 CO -0.26 0.61 0.18 0.93 1.06 0.00 0.00 176.91 179.43 2olp h GLU 119 N 0.95 0.36 -0.09 1.72 5.08 -0.81 0.53 114.58 122.32 2olp h GLU 119 Ca 0.32 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 2olp h GLU 119 Cb 0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2olp h GLU 119 CO -0.12 0.24 -0.33 -0.44 -1.00 0.00 0.00 179.01 177.35 2olp h ASP 120 N 0.37 0.17 -0.62 1.42 3.32 -0.32 -2.93 116.42 117.83 2olp h ASP 120 Ca 0.11 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2olp h ASP 120 Cb -0.03 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2olp h ASP 120 CO -0.03 0.50 0.00 1.41 -1.72 0.00 0.00 179.24 179.40 2olp n HIS 121 N -4.10 1.73 -3.60 4.55 8.25 -0.52 -4.95 115.22 116.57 2olp n HIS 121 Ca -0.01 -0.65 -0.23 0.00 -0.26 0.00 0.00 57.72 56.57 2olp n HIS 121 Cb 0.41 -0.36 0.08 0.00 1.12 0.00 0.00 29.99 31.24 2olp n HIS 121 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2olp n ASN 122 N 0.93 -5.34 0.06 0.41 3.02 -0.94 -4.91 115.26 108.48 2olp n ASN 122 Ca 0.26 -0.58 0.11 0.00 -0.03 0.00 0.00 54.58 54.34 2olp n ASN 122 Cb 1.01 -4.92 0.01 0.00 -0.61 0.00 0.00 39.78 35.27 2olp n ASN 122 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2olp n HIS 123 N -4.81 0.56 -2.79 3.10 8.25 0.18 -4.86 115.22 114.85 2olp n HIS 123 Ca -0.05 0.16 -0.43 0.00 -0.26 0.00 0.00 57.72 57.15 2olp n HIS 123 Cb 0.58 -0.69 -0.04 0.00 1.12 0.00 0.00 29.99 30.96 2olp n HIS 123 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2olp s MET 124 N -3.31 3.34 0.02 -0.41 -1.94 -1.24 -4.41 119.30 111.36 2olp s MET 124 Ca 0.01 -0.22 -0.00 0.00 -1.71 0.00 0.00 55.69 53.76 2olp s MET 124 Cb 0.12 -4.06 0.01 0.00 2.01 0.00 0.00 34.83 32.90 2olp s MET 124 CO 0.80 -1.57 0.02 1.33 -0.01 0.00 0.00 175.02 175.59 2olp n VAL 125 N 6.26 0.00 -3.22 -6.03 0.24 -1.26 -4.82 118.33 109.50 2olp n VAL 125 Ca 0.02 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.34 62.01 2olp n VAL 125 Cb 0.48 -1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 31.76 2olp n VAL 125 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2olp s GLY 126 N -2.56 2.13 -1.15 7.63 0.00 -1.26 -0.58 107.32 111.53 2olp s GLY 126 Ca 0.01 -0.25 -0.22 0.00 0.00 0.00 0.00 44.72 44.26 2olp s GLY 126 CO 0.01 -0.09 1.86 -0.32 0.00 0.00 0.00 173.10 174.55 2olp s GLY 127 N -2.68 0.59 0.22 0.20 0.00 -1.26 -4.79 107.32 99.60 2olp s GLY 127 Ca 0.49 -2.24 -0.03 0.00 0.00 0.00 0.00 44.72 42.94 2olp s GLY 127 CO 0.24 3.29 1.63 0.00 0.00 0.00 0.00 173.10 178.26 2olp h ALA 128 N 9.48 0.89 0.13 3.20 0.00 -1.16 -3.04 119.26 128.76 2olp h ALA 128 Ca 0.25 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2olp h ALA 128 Cb 0.94 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2olp h ALA 128 CO 1.29 0.62 -0.07 -0.22 0.00 0.00 0.00 179.25 180.88 2olp h LYS 129 N 0.59 -0.18 -0.85 0.00 3.64 -1.92 0.24 116.57 118.09 2olp h LYS 129 Ca 0.07 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2olp h LYS 129 Cb 0.77 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.58 2olp h LYS 129 CO 0.06 -0.12 0.55 -0.44 -2.27 0.00 0.00 179.45 177.23 2olp h ASP 130 N -0.18 0.91 -0.17 4.20 5.19 -1.96 -0.81 116.42 123.60 2olp h ASP 130 Ca -0.01 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 2olp h ASP 130 Cb 0.14 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2olp h ASP 130 CO 0.02 0.62 0.04 0.00 -3.12 0.00 0.00 179.24 176.81 2olp h ALA 131 N 1.35 0.23 -0.97 3.45 0.00 -1.31 -2.43 119.26 119.58 2olp h ALA 131 Ca 0.34 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2olp h ALA 131 Cb 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2olp h ALA 131 CO -0.12 -0.13 0.64 -1.49 0.00 0.00 0.00 179.25 178.15 2olp h TRP 132 N 0.09 1.21 -0.69 0.00 4.06 -0.21 -1.00 115.95 119.41 2olp h TRP 132 Ca 0.05 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.06 2olp h TRP 132 Cb 0.26 -0.41 -0.04 0.00 -1.00 0.00 0.00 29.16 27.97 2olp h TRP 132 CO 0.01 0.74 0.43 0.93 -3.56 0.00 0.00 178.44 176.99 2olp h GLU 133 N 1.28 0.83 -0.37 0.49 4.39 -0.83 0.40 114.58 120.78 2olp h GLU 133 Ca 0.37 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.94 2olp h GLU 133 Cb -0.10 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.35 2olp h GLU 133 CO -0.09 0.55 -0.06 0.28 -1.16 0.00 0.00 179.01 178.53 2olp h VAL 134 N 0.86 1.27 -0.09 3.13 2.07 -1.09 -1.15 116.25 121.24 2olp h VAL 134 Ca 0.27 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2olp h VAL 134 Cb -0.00 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2olp h VAL 134 CO -0.10 0.37 0.05 0.15 0.02 0.00 0.00 177.57 178.06 2olp h PHE 135 N 0.50 0.13 -0.43 1.57 3.57 -0.87 -0.71 116.94 120.70 2olp h PHE 135 Ca 0.10 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2olp h PHE 135 Cb 0.55 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2olp h PHE 135 CO 0.05 0.19 -0.05 0.28 -2.23 0.00 0.00 178.31 176.54 2olp h VAL 136 N 0.04 1.24 -0.42 1.41 2.07 -0.88 -0.02 116.25 119.69 2olp h VAL 136 Ca 0.03 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.58 2olp h VAL 136 Cb 0.10 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 2olp h VAL 136 CO -0.00 0.36 0.05 1.23 0.02 0.00 0.00 177.57 179.23 2olp h GLY 137 N 0.96 0.47 0.89 2.17 0.00 -0.78 0.15 103.07 106.93 2olp h GLY 137 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2olp h GLY 137 CO 0.03 -0.07 0.08 -2.75 0.00 0.00 0.00 176.54 173.83 2olp h PHE 138 N 0.17 0.38 -0.79 5.60 3.57 -0.55 -1.32 116.94 124.00 2olp h PHE 138 Ca 0.21 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.76 2olp h PHE 138 Cb 0.27 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 2olp h PHE 138 CO -0.23 0.43 0.45 0.82 -2.23 0.00 0.00 178.31 177.54 2olp h ILE 139 N 0.23 0.91 0.04 1.41 2.04 -0.72 -1.26 117.51 120.16 2olp h ILE 139 Ca 0.08 -0.26 -0.23 0.00 1.00 0.00 0.00 64.86 65.45 2olp h ILE 139 Cb 0.22 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2olp h ILE 139 CO -0.00 0.14 -1.02 0.00 0.00 0.00 0.00 178.15 177.27 2olp h LYS 141 N 0.10 0.85 -0.18 0.00 3.64 -1.01 -0.85 116.57 119.13 2olp h LYS 141 Ca -0.07 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2olp h LYS 141 Cb 1.70 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 2olp h LYS 141 CO 0.16 0.92 0.10 1.15 -2.27 0.00 0.00 179.45 179.51 2olp h THR 142 N 0.70 1.08 -0.11 1.00 2.02 -1.16 -0.96 112.91 115.50 2olp h THR 142 Ca 0.13 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2olp h THR 142 Cb 0.56 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2olp h THR 142 CO 0.03 0.08 0.07 -0.07 0.37 0.00 0.00 175.52 176.00 2olp h LEU 143 N 0.20 0.12 -0.30 2.58 3.38 -1.16 -1.85 115.31 118.29 2olp h LEU 143 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2olp h LEU 143 Cb 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2olp h LEU 143 CO -0.01 0.09 0.15 1.23 0.09 0.00 0.00 178.44 179.99 2olp h GLY 144 N 0.14 0.45 0.62 0.83 0.00 -1.09 -0.30 103.07 103.72 2olp h GLY 144 Ca 0.04 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.20 2olp h GLY 144 CO -0.01 0.21 0.17 -0.55 0.00 0.00 0.00 176.54 176.36 2olp h ASP 145 N 0.35 0.19 -0.28 0.19 3.32 -1.15 -1.95 116.42 117.09 2olp h ASP 145 Ca 0.10 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 2olp h ASP 145 Cb 0.10 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2olp h ASP 145 CO -0.01 0.14 -0.05 0.22 -1.72 0.00 0.00 179.24 177.82 2olp h TYR 146 N 0.35 0.59 -0.25 4.55 3.20 -1.05 -2.96 116.97 121.40 2olp h TYR 146 Ca 0.21 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2olp h TYR 146 Cb 0.19 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2olp h TYR 146 CO -0.15 0.72 0.07 0.52 -1.64 0.00 0.00 178.16 177.68 2olp h MET 147 N 0.30 0.35 -0.86 1.82 2.86 -0.91 0.43 114.93 118.92 2olp h MET 147 Ca 0.07 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 2olp h MET 147 Cb 0.52 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2olp h MET 147 CO 0.02 0.32 0.54 0.87 1.06 0.00 0.00 176.91 179.72 2olp h LYS 148 N 0.35 0.96 -0.04 1.72 1.57 -1.25 -2.31 116.57 117.57 2olp h LYS 148 Ca 0.09 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2olp h LYS 148 Cb 0.12 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2olp h LYS 148 CO -0.01 0.63 -0.37 0.93 -0.57 0.00 0.00 179.45 180.07 2olp h GLU 149 N 0.98 0.08 0.00 3.15 5.08 -0.76 -2.71 114.58 120.40 2olp h GLU 149 Ca 0.37 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 2olp h GLU 149 Cb 0.16 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2olp h GLU 149 CO -0.17 0.44 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.10 2olp h LEU 150 N 0.07 0.00 0.00 1.33 3.38 -1.23 -3.52 115.31 115.34 2olp h LEU 150 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2olp h LEU 150 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2olp h LEU 150 CO 0.05 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.15