#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spy s ASP 2 N 0.00 6.28 0.23 6.12 1.11 -1.26 -5.05 116.67 124.10 1spy s ASP 2 Ca 0.00 0.31 -0.31 0.00 0.18 0.00 0.00 52.55 52.73 1spy s ASP 2 Cb 0.00 -2.11 -0.11 0.00 1.07 0.00 0.00 42.92 41.77 1spy s ASP 2 CO 0.00 0.17 1.64 -0.62 1.18 0.00 0.00 175.17 177.55 1spy s ASP 3 N 0.30 6.43 -0.01 0.27 2.15 -1.26 -4.88 116.67 119.67 1spy s ASP 3 Ca 0.10 2.84 0.10 0.00 0.43 0.00 0.00 52.55 56.02 1spy s ASP 3 Cb -0.12 -2.61 -0.14 0.00 -0.30 0.00 0.00 42.92 39.76 1spy s ASP 3 CO -0.00 -0.91 0.31 2.30 -0.17 0.00 0.00 175.17 176.70 1spy n ILE 4 N 3.38 0.00 0.10 4.11 -6.64 -1.26 -4.51 119.36 114.53 1spy n ILE 4 Ca 0.13 -0.25 -0.06 0.00 -1.77 0.00 0.00 62.75 60.81 1spy n ILE 4 Cb 0.37 0.58 0.03 0.00 -1.44 0.00 0.00 39.64 39.18 1spy n ILE 4 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 1spy h TYR 5 N 0.00 0.11 -1.42 4.28 0.05 -2.00 -3.19 116.97 114.81 1spy h TYR 5 Ca 0.00 -0.06 0.41 0.00 0.05 0.00 0.00 58.73 59.13 1spy h TYR 5 Cb 0.37 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.04 1spy h TYR 5 CO 0.00 0.85 1.08 0.87 -1.05 0.00 0.00 178.16 179.91 1spy h LYS 6 N 0.04 0.00 0.00 4.88 1.57 -1.99 2.11 116.57 123.18 1spy h LYS 6 Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1spy h LYS 6 Cb 1.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 1spy h LYS 6 CO 0.11 0.00 -0.28 0.00 -0.57 0.00 0.00 179.45 178.71 1spy h ALA 7 N 1.17 0.85 -0.65 3.86 0.00 -1.87 -3.11 119.26 119.52 1spy h ALA 7 Ca 0.67 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.43 1spy h ALA 7 Cb 2.83 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 20.49 1spy h ALA 7 CO -0.01 0.35 0.24 0.00 0.00 0.00 0.00 179.25 179.84 1spy h ALA 8 N 1.72 0.86 0.17 0.00 0.00 0.33 -2.26 119.26 120.06 1spy h ALA 8 Ca -0.00 0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.69 1spy h ALA 8 Cb 1.10 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1spy h ALA 8 CO 0.04 -0.19 -1.43 0.28 0.00 0.00 0.00 179.25 177.95 1spy h VAL 9 N 0.42 1.30 -0.78 0.00 2.07 -1.64 -3.33 116.25 114.29 1spy h VAL 9 Ca 0.34 -2.85 0.19 0.00 0.82 0.00 0.00 66.70 65.19 1spy h VAL 9 Cb 0.44 2.91 -0.13 0.00 -1.52 0.00 0.00 31.29 32.99 1spy h VAL 9 CO -0.34 0.85 0.11 -0.08 0.02 0.00 0.00 177.57 178.13 1spy h GLU 10 N 0.10 0.17 0.00 1.57 4.81 -1.35 0.94 114.58 120.82 1spy h GLU 10 Ca -0.21 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1spy h GLU 10 Cb 2.05 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.39 1spy h GLU 10 CO 0.21 0.11 -0.14 1.96 -0.73 0.00 0.00 179.01 180.42 1spy h GLN 11 N 0.17 0.00 -7.05 1.92 7.50 -1.56 -3.42 115.11 112.67 1spy h GLN 11 Ca 0.45 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 59.14 1spy h GLN 11 Cb 0.83 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.35 1spy h GLN 11 CO -0.62 0.14 0.31 -0.51 -1.50 0.00 0.00 178.83 176.65 1spy s LEU 12 N -7.65 3.85 0.28 1.46 1.43 0.33 -5.07 118.68 113.31 1spy s LEU 12 Ca -0.03 1.58 0.07 0.00 -1.03 0.00 0.00 54.13 54.72 1spy s LEU 12 Cb 0.14 -4.46 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 1spy s LEU 12 CO 0.61 -0.41 0.23 0.42 0.23 0.00 0.00 176.35 177.43 1spy s THR 13 N -2.30 4.12 0.14 5.49 -4.23 -1.26 -4.97 115.64 112.63 1spy s THR 13 Ca 0.60 -1.40 -0.26 0.00 -1.18 0.00 0.00 61.69 59.45 1spy s THR 13 Cb -0.09 -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 1spy s THR 13 CO 0.20 -0.29 1.60 -0.08 -0.54 0.00 0.00 174.62 175.51 1spy h GLU 14 N 1.41 -0.36 -0.98 3.99 4.81 -1.97 0.11 114.58 121.59 1spy h GLU 14 Ca -0.47 0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.01 1spy h GLU 14 Cb 1.24 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.62 1spy h GLU 14 CO 0.60 -0.24 0.64 1.49 -0.73 0.00 0.00 179.01 180.76 1spy h GLU 15 N -0.37 0.44 -0.06 1.92 4.22 -2.01 -0.95 114.58 117.77 1spy h GLU 15 Ca 0.11 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.56 1spy h GLU 15 Cb 0.56 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1spy h GLU 15 CO -0.43 0.29 -0.17 0.37 -2.18 0.00 0.00 179.01 176.90 1spy h GLN 16 N 0.45 -0.24 -0.59 1.92 -0.00 -1.16 0.35 115.11 115.84 1spy h GLN 16 Ca 0.54 0.02 0.17 0.00 -0.00 0.00 0.00 58.65 59.38 1spy h GLN 16 Cb 1.29 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.80 1spy h GLN 16 CO -0.26 -0.16 0.60 0.87 0.00 0.00 0.00 178.83 179.88 1spy h LYS 17 N -0.25 0.00 0.00 1.69 1.57 -1.00 0.47 116.57 119.06 1spy h LYS 17 Ca 0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1spy h LYS 17 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1spy h LYS 17 CO -0.20 0.00 -0.16 -0.97 -0.57 0.00 0.00 179.45 177.55 1spy h ASN 18 N 0.00 0.00 0.02 0.86 -0.73 -0.90 0.74 115.58 115.57 1spy h ASN 18 Ca 0.28 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 1spy h ASN 18 Cb 1.48 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.07 1spy h ASN 18 CO -0.00 0.16 -0.01 -0.08 -0.37 0.00 0.00 177.43 177.12 1spy h GLU 19 N 0.00 -0.03 0.00 6.67 4.81 -0.10 -2.82 114.58 123.12 1spy h GLU 19 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1spy h GLU 19 Cb 0.33 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1spy h GLU 19 CO 0.02 0.64 -0.15 0.74 -0.73 0.00 0.00 179.01 179.52 1spy h PHE 20 N -0.73 0.00 -0.24 0.92 0.04 -1.56 -3.08 116.94 112.30 1spy h PHE 20 Ca -0.00 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 1spy h PHE 20 Cb 0.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1spy h PHE 20 CO 0.16 0.15 -0.64 -0.22 -0.60 0.00 0.00 178.31 177.17 1spy h LYS 21 N 0.00 0.84 0.00 1.51 3.64 -0.87 -0.96 116.57 120.73 1spy h LYS 21 Ca -0.00 -0.59 -0.06 0.00 -1.27 0.00 0.00 60.65 58.73 1spy h LYS 21 Cb 0.71 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1spy h LYS 21 CO 0.02 1.21 -0.29 0.00 -2.27 0.00 0.00 179.45 178.13 1spy h ALA 22 N 0.64 1.32 -0.02 5.00 0.00 -1.41 -2.12 119.26 122.68 1spy h ALA 22 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1spy h ALA 22 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1spy h ALA 22 CO 0.14 0.36 -0.27 0.00 0.00 0.00 0.00 179.25 179.48 1spy n ALA 23 N -2.39 3.09 -0.10 0.00 0.00 -1.17 -4.27 120.51 115.67 1spy n ALA 23 Ca -0.02 -0.62 -0.15 0.00 0.00 0.00 0.00 53.44 52.66 1spy n ALA 23 Cb 0.36 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 1spy n ALA 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1spy n PHE 24 N 0.36 0.10 0.29 0.00 -0.00 -0.37 -4.33 117.46 113.51 1spy n PHE 24 Ca 0.12 0.05 0.16 0.00 -0.00 0.00 0.00 57.45 57.77 1spy n PHE 24 Cb 0.49 -0.67 0.76 0.00 -0.00 0.00 0.00 39.48 40.06 1spy n PHE 24 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1spy h ASP 25 N -1.00 0.00 -0.08 -2.13 3.58 -1.63 0.48 116.42 115.64 1spy h ASP 25 Ca -0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1spy h ASP 25 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1spy h ASP 25 CO -0.12 0.00 0.00 -0.38 -2.88 0.00 0.00 179.24 175.86 1spy n ILE 26 N -3.02 0.13 -2.40 2.25 5.41 -1.26 -3.67 119.36 116.80 1spy n ILE 26 Ca -0.00 -0.12 -0.02 0.00 1.00 0.00 0.00 62.75 63.61 1spy n ILE 26 Cb 0.46 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.41 1spy n ILE 26 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1spy n PHE 27 N -0.22 -0.33 1.84 1.39 3.72 0.17 -4.90 117.46 119.14 1spy n PHE 27 Ca 0.03 -1.04 0.15 0.00 -0.05 0.00 0.00 57.45 56.53 1spy n PHE 27 Cb 0.10 0.51 0.79 0.00 -0.94 0.00 0.00 39.48 39.94 1spy n PHE 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1spy n VAL 28 N -0.36 0.01 -2.20 -4.37 0.31 -1.20 -4.47 118.33 106.05 1spy n VAL 28 Ca -0.13 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1spy n VAL 28 Cb 0.86 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1spy n VAL 28 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1spy n LEU 29 N -0.64 0.00 -4.20 7.52 4.32 -1.26 -0.19 117.00 122.55 1spy n LEU 29 Ca 0.22 0.41 -0.32 0.00 -0.02 0.00 0.00 56.01 56.29 1spy n LEU 29 Cb 0.18 -0.89 -0.05 0.00 -1.62 0.00 0.00 43.42 41.04 1spy n LEU 29 CO 0.17 0.00 -0.23 0.61 -1.22 0.00 0.00 177.39 176.72 1spy n GLY 30 N -0.41 -0.28 0.00 -0.72 0.00 -1.26 -4.93 105.19 97.59 1spy n GLY 30 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1spy n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spy n ALA 31 N -4.40 0.00 -0.58 4.61 0.00 0.73 -4.94 120.51 115.93 1spy n ALA 31 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1spy n ALA 31 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1spy n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1spy n GLU 32 N 0.00 0.00 -3.26 0.00 -0.58 -1.26 -4.65 120.64 110.89 1spy n GLU 32 Ca 0.00 0.56 -0.06 0.00 -0.42 0.00 0.00 57.16 57.24 1spy n GLU 32 Cb 0.00 -1.21 -0.04 0.00 -0.57 0.00 0.00 31.44 29.62 1spy n GLU 32 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1spy s ASP 33 N -2.69 -0.33 -1.04 1.62 1.47 -1.26 -4.93 116.67 109.50 1spy s ASP 33 Ca 0.00 -0.67 -0.01 0.00 1.18 0.00 0.00 52.55 53.04 1spy s ASP 33 Cb 0.00 1.39 0.00 0.00 -0.34 0.00 0.00 42.92 43.97 1spy s ASP 33 CO 0.00 -0.27 0.88 0.61 0.68 0.00 0.00 175.17 177.07 1spy n GLY 34 N 4.85 -0.25 3.22 2.12 0.00 -1.26 -4.95 105.19 108.92 1spy n GLY 34 Ca 0.07 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1spy n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spy s ILE 36 N -1.92 1.34 -0.07 0.00 -4.36 -0.56 -4.31 121.20 111.32 1spy s ILE 36 Ca 0.06 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.27 1spy s ILE 36 Cb -0.06 -2.80 -0.05 0.00 1.25 0.00 0.00 42.46 40.80 1spy s ILE 36 CO 0.03 0.00 0.48 -0.44 0.24 0.00 0.00 174.94 175.25 1spy s SER 37 N -3.56 6.76 0.45 4.36 0.01 -1.26 -1.17 113.70 119.30 1spy s SER 37 Ca 0.35 0.91 0.31 0.00 1.31 0.00 0.00 55.95 58.82 1spy s SER 37 Cb 0.08 -2.29 1.43 0.00 0.21 0.00 0.00 66.02 65.45 1spy s SER 37 CO 0.16 0.09 1.64 0.71 0.41 0.00 0.00 173.24 176.24 1spy h THR 38 N 4.41 0.16 -0.14 1.44 1.35 -1.45 2.03 112.91 120.70 1spy h THR 38 Ca -0.44 -0.03 0.04 0.00 -0.55 0.00 0.00 66.41 65.43 1spy h THR 38 Cb 1.19 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1spy h THR 38 CO 0.72 0.02 0.16 0.11 -0.25 0.00 0.00 175.52 176.28 1spy h LYS 39 N 0.10 0.00 0.00 4.72 1.79 -1.92 -0.10 116.57 121.16 1spy h LYS 39 Ca 0.80 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 59.01 1spy h LYS 39 Cb 2.57 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 33.18 1spy h LYS 39 CO -0.36 0.00 -1.43 0.93 -1.08 0.00 0.00 179.45 177.51 1spy h GLU 40 N 0.00 0.00 -0.81 3.15 4.39 0.29 -3.31 114.58 118.29 1spy h GLU 40 Ca 0.07 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.00 1spy h GLU 40 Cb 0.40 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1spy h GLU 40 CO -0.00 0.68 0.86 -0.07 -1.16 0.00 0.00 179.01 179.33 1spy h LEU 41 N 0.00 0.00 0.00 1.33 -0.00 -0.83 -1.36 115.31 114.44 1spy h LEU 41 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1spy h LEU 41 Cb 1.91 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.57 1spy h LEU 41 CO 0.10 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.15 1spy n GLY 42 N -1.63 -1.81 0.51 0.83 0.00 -1.25 -0.61 105.19 101.23 1spy n GLY 42 Ca 0.17 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.52 1spy n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1spy h LYS 43 N 0.00 0.00 -0.03 1.61 2.10 -1.70 0.81 116.57 119.36 1spy h LYS 43 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 1spy h LYS 43 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1spy h LYS 43 CO 0.00 0.00 -0.60 0.28 -2.00 0.00 0.00 179.45 177.13 1spy h VAL 44 N 0.00 1.41 0.01 0.07 2.07 -1.21 -1.93 116.25 116.67 1spy h VAL 44 Ca 0.51 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 1spy h VAL 44 Cb 2.09 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.91 1spy h VAL 44 CO -0.01 0.59 -0.00 0.24 0.02 0.00 0.00 177.57 178.41 1spy h MET 45 N 0.09 -0.01 0.00 1.57 2.86 0.30 -3.28 114.93 116.46 1spy h MET 45 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1spy h MET 45 Cb 1.08 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 1spy h MET 45 CO 0.09 0.51 -0.00 0.07 1.06 0.00 0.00 176.91 178.64 1spy h ARG 46 N -1.00 0.00 -0.67 1.72 0.11 -1.21 -1.50 114.38 111.84 1spy h ARG 46 Ca -0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1spy h ARG 46 Cb 0.52 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.57 1spy h ARG 46 CO 0.00 0.00 0.19 0.52 0.10 0.00 0.00 179.97 180.78 1spy h MET 47 N 0.00 1.03 0.00 0.08 2.86 -1.40 -2.98 114.93 114.52 1spy h MET 47 Ca -0.00 -0.22 -0.19 0.00 -2.06 0.00 0.00 59.70 57.23 1spy h MET 47 Cb 0.00 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 1spy h MET 47 CO 0.00 0.89 -1.38 -0.07 1.06 0.00 0.00 176.91 177.41 1spy h LEU 48 N 0.99 0.00 0.00 1.22 4.07 -1.41 -3.48 115.31 116.70 1spy h LEU 48 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1spy h LEU 48 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1spy h LEU 48 CO -0.01 0.69 0.00 0.61 -1.08 0.00 0.00 178.44 178.65 1spy n GLY 49 N 1.41 0.35 3.21 0.83 0.00 -0.86 -5.15 105.19 104.98 1spy n GLY 49 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1spy n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1spy s GLN 50 N 0.00 2.23 -0.37 1.61 1.11 -0.66 -4.94 119.66 118.63 1spy s GLN 50 Ca 0.00 -0.77 0.13 0.00 0.01 0.00 0.00 55.36 54.73 1spy s GLN 50 Cb 0.00 -1.89 0.44 0.00 -1.01 0.00 0.00 33.01 30.55 1spy s GLN 50 CO 0.00 0.31 1.00 0.09 0.01 0.00 0.00 175.29 176.70 1spy n ASN 51 N 3.06 2.73 -4.77 5.90 4.13 -1.26 -3.10 115.26 121.94 1spy n ASN 51 Ca -0.18 -3.12 -0.30 0.00 1.68 0.00 0.00 54.58 52.66 1spy n ASN 51 Cb 0.52 -0.51 0.11 0.00 -1.54 0.00 0.00 39.78 38.37 1spy n ASN 51 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1spy s PRO 52 N -3.26 1.65 0.33 3.52 0.04 -1.26 -5.01 135.00 131.00 1spy s PRO 52 Ca 0.36 0.62 -0.15 0.00 0.04 0.00 0.00 61.00 61.87 1spy s PRO 52 Cb 0.43 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 33.01 1spy s PRO 52 CO -0.06 -1.92 0.73 0.95 0.04 0.00 0.00 177.00 176.75 1spy s THR 53 N -3.11 4.69 0.21 1.26 -4.23 -1.26 -4.98 115.64 108.21 1spy s THR 53 Ca 0.62 0.92 0.03 0.00 -1.18 0.00 0.00 61.69 62.08 1spy s THR 53 Cb -0.16 -3.61 -0.08 0.00 1.34 0.00 0.00 72.50 69.99 1spy s THR 53 CO 0.55 -0.20 1.49 1.55 -0.54 0.00 0.00 174.62 177.46 1spy h PRO 54 N 2.21 0.26 -0.51 3.99 0.13 -2.00 -3.10 132.00 132.98 1spy h PRO 54 Ca -0.48 -0.21 -0.06 0.00 -0.87 0.00 0.00 66.00 64.39 1spy h PRO 54 Cb 1.17 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1spy h PRO 54 CO 0.65 0.86 0.09 0.93 -0.23 0.00 0.00 178.00 180.30 1spy h GLU 55 N 0.18 0.79 0.00 0.86 4.39 -2.02 -1.93 114.58 116.85 1spy h GLU 55 Ca -0.02 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1spy h GLU 55 Cb 1.25 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1spy h GLU 55 CO 0.11 0.74 0.00 0.93 -1.16 0.00 0.00 179.01 179.63 1spy h GLU 56 N 0.76 0.00 0.00 2.33 3.07 -1.96 -3.21 114.58 115.57 1spy h GLU 56 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1spy h GLU 56 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1spy h GLU 56 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 1spy n LEU 57 N -2.77 0.75 -0.30 1.33 4.32 -0.73 -2.82 117.00 116.79 1spy n LEU 57 Ca 0.03 0.50 -0.00 0.00 -0.02 0.00 0.00 56.01 56.52 1spy n LEU 57 Cb 0.39 -0.25 0.06 0.00 -1.62 0.00 0.00 43.42 42.01 1spy n LEU 57 CO 0.29 -0.25 0.65 1.56 -1.22 0.00 0.00 177.39 178.41 1spy h GLN 58 N 0.00 -0.04 -1.30 3.23 1.08 -1.70 1.31 115.11 117.69 1spy h GLN 58 Ca 0.00 0.00 0.38 0.00 -1.45 0.00 0.00 58.65 57.58 1spy h GLN 58 Cb 0.00 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1spy h GLN 58 CO 0.00 -0.03 0.93 1.49 -0.95 0.00 0.00 178.83 180.27 1spy h GLU 59 N -0.04 0.01 0.05 1.46 4.81 -1.67 -0.50 114.58 118.71 1spy h GLU 59 Ca 0.35 -0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.25 1spy h GLU 59 Cb 0.60 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1spy h GLU 59 CO -0.86 0.00 -1.79 -0.12 -0.73 0.00 0.00 179.01 175.52 1spy n MET 60 N -4.15 0.66 -0.05 1.92 1.56 0.42 -4.07 117.12 113.41 1spy n MET 60 Ca 0.28 0.38 0.24 0.00 -0.27 0.00 0.00 57.70 58.33 1spy n MET 60 Cb 1.35 -1.69 0.72 0.00 2.15 0.00 0.00 33.22 35.75 1spy n MET 60 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1spy h ILE 61 N -0.46 0.53 0.11 1.12 2.04 0.74 -0.91 117.51 120.68 1spy h ILE 61 Ca -0.43 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1spy h ILE 61 Cb 1.69 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 1spy h ILE 61 CO -0.09 0.00 -0.30 -0.78 0.00 0.00 0.00 178.15 176.98 1spy h ASP 62 N 0.00 -0.87 1.35 1.72 3.58 -1.36 0.96 116.42 121.80 1spy h ASP 62 Ca 0.31 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1spy h ASP 62 Cb 1.37 0.33 0.00 0.00 1.72 0.00 0.00 39.33 42.75 1spy h ASP 62 CO -0.00 -0.39 -0.18 1.05 -2.88 0.00 0.00 179.24 176.84 1spy h GLU 63 N -0.52 0.00 0.01 0.28 4.11 -1.54 -3.34 114.58 113.58 1spy h GLU 63 Ca 0.03 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.30 1spy h GLU 63 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1spy h GLU 63 CO -0.18 0.00 -0.86 0.28 0.07 0.00 0.00 179.01 178.32 1spy h VAL 64 N 0.00 1.22 -0.55 -1.06 2.07 -0.52 -3.40 116.25 114.01 1spy h VAL 64 Ca 0.00 -2.26 -0.60 0.00 0.82 0.00 0.00 66.70 64.66 1spy h VAL 64 Cb 0.77 2.66 -0.05 0.00 -1.52 0.00 0.00 31.29 33.14 1spy h VAL 64 CO 0.00 0.45 2.12 0.47 0.02 0.00 0.00 177.57 180.63 1spy n ASP 65 N -4.44 4.13 -0.01 0.57 9.92 0.33 -4.71 116.55 122.33 1spy n ASP 65 Ca -0.24 -2.84 -0.11 0.00 -0.53 0.00 0.00 54.79 51.07 1spy n ASP 65 Cb 0.64 -1.68 -0.09 0.00 -0.64 0.00 0.00 41.12 39.34 1spy n ASP 65 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1spy h GLU 66 N 7.81 -0.08 -0.29 -1.24 4.81 -1.81 -3.29 114.58 120.50 1spy h GLU 66 Ca 0.42 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1spy h GLU 66 Cb 0.83 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1spy h GLU 66 CO 1.52 0.53 0.00 -0.25 -0.73 0.00 0.00 179.01 180.08 1spy n ASP 67 N -4.79 2.93 -0.12 1.04 8.00 -1.26 -4.55 116.55 117.80 1spy n ASP 67 Ca -0.08 -2.14 -0.16 0.00 0.71 0.00 0.00 54.79 53.12 1spy n ASP 67 Cb 0.31 -0.25 -0.12 0.00 -0.02 0.00 0.00 41.12 41.04 1spy n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1spy n GLY 68 N 0.25 -0.46 3.40 0.44 0.00 -1.26 -5.02 105.19 102.54 1spy n GLY 68 Ca 0.11 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1spy n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1spy n SER 69 N -3.14 -6.22 0.00 1.61 2.88 -1.24 -3.23 113.62 104.28 1spy n SER 69 Ca -0.42 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 1spy n SER 69 Cb 1.00 -4.53 0.00 0.00 -0.75 0.00 0.00 64.21 59.93 1spy n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1spy n GLY 70 N -1.42 0.90 2.88 0.46 0.00 -1.26 -5.05 105.19 101.70 1spy n GLY 70 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1spy n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1spy s THR 71 N -2.03 0.51 0.18 2.61 -4.23 -1.20 -1.05 115.64 110.44 1spy s THR 71 Ca 0.00 -0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.49 1spy s THR 71 Cb 0.00 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 1spy s THR 71 CO 0.00 0.22 -0.03 0.68 -0.54 0.00 0.00 174.62 174.95 1spy s VAL 72 N 0.96 3.54 0.18 2.29 -7.23 -0.31 -4.37 120.40 115.45 1spy s VAL 72 Ca -0.10 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1spy s VAL 72 Cb -0.14 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.03 1spy s VAL 72 CO -0.00 -0.13 0.10 -0.67 -0.31 0.00 0.00 175.10 174.09 1spy n ASP 73 N -0.13 1.82 0.14 4.85 -0.08 -1.26 -1.49 116.55 120.40 1spy n ASP 73 Ca -0.10 -1.66 0.11 0.00 -1.51 0.00 0.00 54.79 51.64 1spy n ASP 73 Cb 0.55 0.02 0.52 0.00 2.34 0.00 0.00 41.12 44.55 1spy n ASP 73 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1spy n PHE 74 N -0.79 0.77 0.03 -0.67 -0.00 -1.26 -0.67 117.46 114.87 1spy n PHE 74 Ca -0.02 0.33 -0.19 0.00 -0.00 0.00 0.00 57.45 57.57 1spy n PHE 74 Cb 0.21 -1.04 -0.14 0.00 -0.00 0.00 0.00 39.48 38.51 1spy n PHE 74 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1spy h ASP 75 N 0.00 0.40 0.01 -2.13 5.19 -1.95 -3.30 116.42 114.64 1spy h ASP 75 Ca 0.00 -0.69 -0.21 0.00 -0.62 0.00 0.00 57.03 55.52 1spy h ASP 75 Cb 0.24 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 1spy h ASP 75 CO 0.00 1.60 -1.11 -0.33 -3.12 0.00 0.00 179.24 176.28 1spy h GLU 76 N 0.07 0.03 0.00 3.56 5.08 -1.84 -3.16 114.58 118.32 1spy h GLU 76 Ca -0.33 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1spy h GLU 76 Cb 2.04 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1spy h GLU 76 CO 0.13 1.02 0.08 0.34 -1.00 0.00 0.00 179.01 179.59 1spy n PHE 77 N -4.39 0.65 -0.06 4.33 7.35 0.15 -1.41 117.46 124.10 1spy n PHE 77 Ca -0.28 0.34 -0.15 0.00 -0.76 0.00 0.00 57.45 56.60 1spy n PHE 77 Cb 0.68 -0.99 -0.14 0.00 0.35 0.00 0.00 39.48 39.38 1spy n PHE 77 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1spy n LEU 78 N -2.20 1.69 0.08 -2.13 7.94 -1.24 -4.00 117.00 117.14 1spy n LEU 78 Ca -0.01 0.13 -0.07 0.00 -1.11 0.00 0.00 56.01 54.95 1spy n LEU 78 Cb 0.11 -0.39 0.05 0.00 0.53 0.00 0.00 43.42 43.73 1spy n LEU 78 CO 0.09 0.68 0.35 0.58 -1.11 0.00 0.00 177.39 177.98 1spy h VAL 79 N 0.02 1.44 -0.08 1.96 2.07 -1.19 -2.88 116.25 117.59 1spy h VAL 79 Ca -0.45 -2.33 -0.07 0.00 0.82 0.00 0.00 66.70 64.67 1spy h VAL 79 Cb 2.04 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 34.06 1spy h VAL 79 CO 0.03 0.68 -0.25 0.24 0.02 0.00 0.00 177.57 178.29 1spy h MET 80 N 0.14 0.14 0.08 1.57 2.86 -1.46 -2.82 114.93 115.43 1spy h MET 80 Ca -0.03 -0.04 -0.25 0.00 -2.06 0.00 0.00 59.70 57.32 1spy h MET 80 Cb 1.33 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 1spy h MET 80 CO 0.12 0.39 -1.12 0.52 1.06 0.00 0.00 176.91 177.87 1spy h MET 81 N 0.13 0.20 0.00 1.72 2.07 -1.67 -3.17 114.93 114.21 1spy h MET 81 Ca 0.02 -0.32 0.00 0.00 -2.07 0.00 0.00 59.70 57.33 1spy h MET 81 Cb 0.52 0.12 0.00 0.00 -1.87 0.00 0.00 31.60 30.36 1spy h MET 81 CO 0.04 1.13 0.00 -0.24 1.07 0.00 0.00 176.91 178.91 1spy h VAL 82 N 0.07 0.00 0.00 -2.22 3.04 -1.28 -1.90 116.25 113.96 1spy h VAL 82 Ca -0.09 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1spy h VAL 82 Cb 1.85 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 1spy h VAL 82 CO 0.18 0.00 -1.57 0.54 -1.01 0.00 0.00 177.57 175.71 1spy n ARG 83 N -2.36 0.47 -1.67 4.17 1.74 -1.18 -4.36 116.66 113.47 1spy n ARG 83 Ca 0.00 -0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 56.85 1spy n ARG 83 Cb 0.15 -1.55 0.07 0.00 -1.02 0.00 0.00 32.46 30.11 1spy n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1spy n MET 85 N -0.78 0.02 -3.87 0.00 2.81 -0.93 -4.74 117.12 109.63 1spy n MET 85 Ca 0.34 0.22 -0.11 0.00 -1.81 0.00 0.00 57.70 56.34 1spy n MET 85 Cb 0.89 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.80 1spy n MET 85 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1spy s LYS 86 N -2.96 0.55 0.09 0.03 0.00 -1.26 -5.07 119.74 111.13 1spy s LYS 86 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 55.97 55.54 1spy s LYS 86 Cb 0.10 0.23 0.00 0.00 0.00 0.00 0.00 37.83 38.16 1spy s LYS 86 CO 0.28 -0.14 0.00 -3.47 0.00 0.00 0.00 175.35 172.02 1spy n ASP 87 N 1.15 -0.79 -3.69 0.03 2.03 -1.26 -5.13 116.55 108.89 1spy n ASP 87 Ca -0.21 0.17 -0.14 0.00 0.52 0.00 0.00 54.79 55.13 1spy n ASP 87 Cb 0.57 1.11 -0.07 0.00 -0.72 0.00 0.00 41.12 42.01 1spy n ASP 87 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1spy s ASP 88 N -1.19 -0.30 0.00 1.67 -4.77 -1.26 -5.23 116.67 105.59 1spy s ASP 88 Ca 0.00 0.17 0.14 0.00 -3.30 0.00 0.00 52.55 49.56 1spy s ASP 88 Cb 0.00 0.39 0.82 0.00 -1.09 0.00 0.00 42.92 43.04 1spy s ASP 88 CO 0.00 -0.55 1.25 -0.24 0.70 0.00 0.00 175.17 176.33