#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spy n ASP 2 N 0.00 0.00 -4.85 3.17 9.92 -1.26 -5.16 116.55 118.37 1spy n ASP 2 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 1spy n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1spy n ASP 2 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1spy s ASP 3 N 0.00 6.22 -0.20 -2.24 -1.08 -1.26 -5.00 116.67 113.11 1spy s ASP 3 Ca 0.00 1.51 -0.00 0.00 -0.52 0.00 0.00 52.55 53.54 1spy s ASP 3 Cb 0.00 -2.49 -0.13 0.00 -1.46 0.00 0.00 42.92 38.84 1spy s ASP 3 CO 0.00 -0.87 -0.19 2.30 0.52 0.00 0.00 175.17 176.93 1spy n ILE 4 N -2.40 1.16 0.25 4.11 -5.35 -1.26 -4.39 119.36 111.48 1spy n ILE 4 Ca 0.07 -0.42 0.18 0.00 -0.27 0.00 0.00 62.75 62.30 1spy n ILE 4 Cb 0.54 -1.29 0.90 0.00 -1.74 0.00 0.00 39.64 38.05 1spy n ILE 4 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1spy h TYR 5 N -0.10 0.00 0.00 4.28 0.05 -2.00 0.02 116.97 119.21 1spy h TYR 5 Ca -0.46 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.32 1spy h TYR 5 Cb 1.67 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.41 1spy h TYR 5 CO 0.01 0.00 -0.01 -0.22 -1.05 0.00 0.00 178.16 176.89 1spy h LYS 6 N 0.00 0.00 0.00 4.88 3.64 -2.00 -0.41 116.57 122.69 1spy h LYS 6 Ca 0.06 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1spy h LYS 6 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1spy h LYS 6 CO -0.00 0.01 -0.22 0.00 -2.27 0.00 0.00 179.45 176.97 1spy h ALA 7 N 1.99 0.89 0.49 5.00 0.00 -1.26 -3.30 119.26 123.08 1spy h ALA 7 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1spy h ALA 7 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1spy h ALA 7 CO 0.00 0.27 -0.24 0.00 0.00 0.00 0.00 179.25 179.28 1spy h ALA 8 N 1.78 -0.66 -0.93 0.00 0.00 -1.21 -2.52 119.26 115.72 1spy h ALA 8 Ca -0.00 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.90 1spy h ALA 8 Cb 1.04 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1spy h ALA 8 CO 0.03 -0.79 0.60 0.28 0.00 0.00 0.00 179.25 179.37 1spy h VAL 9 N -0.84 0.76 0.00 0.00 2.07 -1.66 0.51 116.25 117.10 1spy h VAL 9 Ca -0.07 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1spy h VAL 9 Cb 0.58 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1spy h VAL 9 CO 0.11 0.12 0.00 -0.33 0.02 0.00 0.00 177.57 177.49 1spy h GLU 10 N 0.65 0.00 0.01 1.57 4.39 -1.59 -2.81 114.58 116.81 1spy h GLU 10 Ca 0.49 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.99 1spy h GLU 10 Cb 0.89 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1spy h GLU 10 CO -0.25 0.00 -0.92 1.96 -1.16 0.00 0.00 179.01 178.64 1spy h GLN 11 N 0.00 0.21 -6.76 2.33 4.20 0.47 -3.44 115.11 112.12 1spy h GLN 11 Ca 0.00 -0.25 -0.52 0.00 0.06 0.00 0.00 58.65 57.94 1spy h GLN 11 Cb 0.40 0.07 0.04 0.00 0.30 0.00 0.00 27.48 28.29 1spy h GLN 11 CO 0.00 0.99 0.60 -0.51 -0.67 0.00 0.00 178.83 179.25 1spy s LEU 12 N -7.40 4.45 0.54 1.46 1.43 -1.06 -5.02 118.68 113.08 1spy s LEU 12 Ca -0.03 2.44 -0.02 0.00 -1.03 0.00 0.00 54.13 55.49 1spy s LEU 12 Cb 0.10 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.71 1spy s LEU 12 CO 0.84 -0.44 0.80 0.42 0.23 0.00 0.00 176.35 178.20 1spy s THR 13 N -0.51 3.52 0.13 5.49 -4.23 -1.26 -4.70 115.64 114.07 1spy s THR 13 Ca 0.52 -0.31 -0.33 0.00 -1.18 0.00 0.00 61.69 60.38 1spy s THR 13 Cb -0.36 -3.36 -0.11 0.00 1.34 0.00 0.00 72.50 70.01 1spy s THR 13 CO 0.43 -0.31 1.55 -0.08 -0.54 0.00 0.00 174.62 175.67 1spy h GLU 14 N 0.04 -0.45 -0.99 3.99 4.81 -1.97 1.62 114.58 121.62 1spy h GLU 14 Ca -0.45 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 58.92 1spy h GLU 14 Cb 1.27 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.67 1spy h GLU 14 CO 0.58 -0.30 0.63 0.93 -0.73 0.00 0.00 179.01 180.12 1spy h GLU 15 N -0.47 0.98 -0.26 1.92 5.08 -1.98 1.19 114.58 121.05 1spy h GLU 15 Ca 0.06 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1spy h GLU 15 Cb 0.63 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1spy h GLU 15 CO -0.53 0.65 -0.40 0.37 -1.00 0.00 0.00 179.01 178.09 1spy h GLN 16 N 1.01 0.72 -0.09 2.33 4.15 -1.21 -2.71 115.11 119.31 1spy h GLN 16 Ca 0.48 -0.44 -0.21 0.00 0.77 0.00 0.00 58.65 59.25 1spy h GLN 16 Cb 0.44 0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.18 1spy h GLN 16 CO -0.24 1.06 -0.76 0.87 -1.93 0.00 0.00 178.83 177.83 1spy h LYS 17 N 0.46 0.67 -0.21 1.69 1.57 0.32 -3.12 116.57 117.94 1spy h LYS 17 Ca 0.02 -0.60 0.04 0.00 -1.87 0.00 0.00 60.65 58.24 1spy h LYS 17 Cb 1.00 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1spy h LYS 17 CO 0.09 1.21 0.15 -0.97 -0.57 0.00 0.00 179.45 179.36 1spy h ASN 18 N 0.34 0.10 -0.79 0.86 -1.24 0.14 -1.51 115.58 113.48 1spy h ASN 18 Ca -0.07 -0.00 0.03 0.00 0.71 0.00 0.00 56.30 56.97 1spy h ASN 18 Cb 1.41 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 40.39 1spy h ASN 18 CO 0.15 0.07 0.51 -0.08 -1.29 0.00 0.00 177.43 176.79 1spy h GLU 19 N 0.12 0.96 -0.39 6.67 4.81 -1.41 -2.23 114.58 123.09 1spy h GLU 19 Ca 0.09 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 1spy h GLU 19 Cb 0.24 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1spy h GLU 19 CO -0.01 0.63 -0.38 0.74 -0.73 0.00 0.00 179.01 179.26 1spy h PHE 20 N 0.99 1.14 -0.79 0.92 0.04 -1.38 -2.97 116.94 114.89 1spy h PHE 20 Ca 0.32 -0.34 0.12 0.00 2.80 0.00 0.00 57.97 60.87 1spy h PHE 20 Cb 0.01 -0.24 -0.08 0.00 2.20 0.00 0.00 35.95 37.84 1spy h PHE 20 CO -0.03 1.17 0.41 -0.22 -0.60 0.00 0.00 178.31 179.04 1spy h LYS 21 N 0.78 0.62 0.00 1.51 3.64 -1.10 1.77 116.57 123.79 1spy h LYS 21 Ca 0.06 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1spy h LYS 21 Cb 0.97 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1spy h LYS 21 CO 0.09 0.41 -0.08 0.00 -2.27 0.00 0.00 179.45 177.61 1spy h ALA 22 N 1.49 1.01 -0.00 5.00 0.00 -1.37 -1.60 119.26 123.79 1spy h ALA 22 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1spy h ALA 22 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1spy h ALA 22 CO -0.31 0.10 -0.77 0.00 0.00 0.00 0.00 179.25 178.27 1spy n ALA 23 N -2.14 4.13 -0.10 0.00 0.00 0.45 -4.40 120.51 118.46 1spy n ALA 23 Ca 0.01 -0.47 -0.18 0.00 0.00 0.00 0.00 53.44 52.80 1spy n ALA 23 Cb 0.37 -0.60 -0.13 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.35 0.24 0.29 0.00 -0.00 0.57 -4.21 117.46 113.00 1spy n PHE 24 Ca 0.03 0.05 0.16 0.00 -0.00 0.00 0.00 57.45 57.70 1spy n PHE 24 Cb 0.26 -1.03 0.79 0.00 -0.00 0.00 0.00 39.48 39.50 1spy n PHE 24 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1spy h ASP 25 N 0.01 0.00 -0.11 -2.13 3.32 -1.48 -1.49 116.42 114.55 1spy h ASP 25 Ca -0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1spy h ASP 25 Cb 1.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.51 1spy h ASP 25 CO -0.04 0.00 0.00 -0.38 -1.72 0.00 0.00 179.24 177.10 1spy n ILE 26 N -2.71 0.17 -2.21 0.35 5.41 -1.26 -3.56 119.36 115.54 1spy n ILE 26 Ca -0.01 -0.15 0.01 0.00 1.00 0.00 0.00 62.75 63.60 1spy n ILE 26 Cb 0.15 0.03 -0.00 0.00 -0.71 0.00 0.00 39.64 39.11 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 -0.16 0.00 -1.12 1.39 3.72 -0.56 -4.87 117.46 115.86 1spy n PHE 27 Ca 0.04 -0.29 -0.13 0.00 -0.05 0.00 0.00 57.45 57.02 1spy n PHE 27 Cb 0.11 0.03 0.26 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.21 3.05 -1.54 -4.37 0.31 -1.23 -4.34 118.33 110.43 1spy n VAL 28 Ca -0.02 -1.75 -0.33 0.00 -0.01 0.00 0.00 64.34 62.23 1spy n VAL 28 Cb 0.87 -0.40 -0.08 0.00 -0.91 0.00 0.00 33.84 33.31 1spy n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1spy n LEU 29 N -0.53 1.45 0.00 7.52 -0.00 -1.26 -4.33 117.00 119.84 1spy n LEU 29 Ca 0.48 -0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1spy n LEU 29 Cb 1.51 -1.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 1spy n LEU 29 CO 0.51 -1.52 0.00 0.61 -0.00 0.00 0.00 177.39 176.99 1spy n GLY 30 N 6.22 -0.94 2.85 1.47 0.00 -1.26 -5.00 105.19 108.53 1spy n GLY 30 Ca 0.48 -1.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 3.01 -2.98 -1.97 4.61 0.00 -1.26 -2.63 120.51 119.29 1spy n ALA 31 Ca 0.00 1.08 -0.08 0.00 0.00 0.00 0.00 53.44 54.44 1spy n ALA 31 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 19.45 15.85 1spy n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1spy n GLU 32 N -0.42 -1.98 -4.21 0.00 4.07 -1.26 -1.00 120.64 115.83 1spy n GLU 32 Ca 0.11 0.40 -0.34 0.00 -0.06 0.00 0.00 57.16 57.27 1spy n GLU 32 Cb 0.46 -4.79 -0.04 0.00 -0.06 0.00 0.00 31.44 27.01 1spy n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1spy n ASP 33 N -0.96 -2.09 0.00 4.31 -0.08 -1.08 -4.63 116.55 112.02 1spy n ASP 33 Ca -0.08 -1.06 0.00 0.00 -1.51 0.00 0.00 54.79 52.13 1spy n ASP 33 Cb 0.44 -2.58 0.00 0.00 2.34 0.00 0.00 41.12 41.32 1spy n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1spy n GLY 34 N -1.60 0.00 3.28 0.27 0.00 -0.17 -5.01 105.19 101.95 1spy n GLY 34 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.19 2.80 0.57 0.00 -4.36 0.05 -4.36 121.20 112.72 1spy s ILE 36 Ca -0.01 -2.15 -0.15 0.00 -0.26 0.00 0.00 60.65 58.08 1spy s ILE 36 Cb 0.01 -2.59 -0.05 0.00 1.25 0.00 0.00 42.46 41.08 1spy s ILE 36 CO -0.07 -0.34 1.02 -0.55 0.24 0.00 0.00 174.94 175.24 1spy s SER 37 N -3.61 6.16 0.39 4.36 0.15 -1.26 -1.83 113.70 118.05 1spy s SER 37 Ca 0.32 1.66 0.12 0.00 0.70 0.00 0.00 55.95 58.74 1spy s SER 37 Cb -0.04 -2.51 0.91 0.00 -1.71 0.00 0.00 66.02 62.67 1spy s SER 37 CO 0.17 -0.91 1.90 0.71 1.20 0.00 0.00 173.24 176.31 1spy h THR 38 N 0.48 0.83 -0.03 6.45 1.35 -1.83 0.43 112.91 120.60 1spy h THR 38 Ca -0.46 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1spy h THR 38 Cb 1.20 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1spy h THR 38 CO 0.60 0.11 0.00 0.29 -0.25 0.00 0.00 175.52 176.26 1spy n LYS 39 N -4.52 1.26 -0.06 4.72 4.01 -1.26 -3.80 118.16 118.50 1spy n LYS 39 Ca 0.16 -0.38 -0.21 0.00 -0.51 0.00 0.00 58.31 57.37 1spy n LYS 39 Cb 0.48 -1.43 -0.13 0.00 -0.51 0.00 0.00 35.03 33.45 1spy n LYS 39 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1spy n GLU 40 N -0.49 0.69 0.26 1.97 -0.58 0.15 -4.18 120.64 118.47 1spy n GLU 40 Ca 0.19 0.26 0.11 0.00 -0.42 0.00 0.00 57.16 57.30 1spy n GLU 40 Cb 0.19 -1.64 0.72 0.00 -0.57 0.00 0.00 31.44 30.13 1spy n GLU 40 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1spy h LEU 41 N -0.16 0.00 0.25 -4.62 8.10 -1.61 -2.93 115.31 114.33 1spy h LEU 41 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.50 1spy h LEU 41 Cb 1.87 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.07 1spy h LEU 41 CO -0.04 0.07 -0.33 1.23 -4.11 0.00 0.00 178.44 175.25 1spy h GLY 42 N 0.29 -1.11 2.00 0.17 0.00 -1.73 0.10 103.07 102.80 1spy h GLY 42 Ca -0.00 0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.86 1spy h GLY 42 CO 0.01 -0.34 -0.00 0.07 0.00 0.00 0.00 176.54 176.28 1spy h LYS 43 N -0.60 0.00 0.00 4.80 2.10 -1.75 -0.40 116.57 120.72 1spy h LYS 43 Ca -0.03 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 1spy h LYS 43 Cb 0.54 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1spy h LYS 43 CO -0.09 0.00 -0.27 0.28 -2.00 0.00 0.00 179.45 177.38 1spy h VAL 44 N 0.00 0.55 0.01 0.07 2.07 -1.05 -2.95 116.25 114.95 1spy h VAL 44 Ca -0.00 -1.38 -0.19 0.00 0.82 0.00 0.00 66.70 65.94 1spy h VAL 44 Cb 0.00 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1spy h VAL 44 CO 0.00 0.26 -0.90 0.24 0.02 0.00 0.00 177.57 177.19 1spy h MET 45 N 0.00 0.07 0.01 1.57 2.86 0.93 -3.25 114.93 117.12 1spy h MET 45 Ca -0.00 -0.09 -0.20 0.00 -2.06 0.00 0.00 59.70 57.35 1spy h MET 45 Cb 0.94 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1spy h MET 45 CO 0.03 0.92 -0.93 0.00 1.06 0.00 0.00 176.91 178.00 1spy h ARG 46 N 0.03 0.08 -0.93 1.72 3.08 -1.47 -2.88 114.38 114.02 1spy h ARG 46 Ca -0.03 -0.11 0.25 0.00 0.07 0.00 0.00 59.98 60.17 1spy h ARG 46 Cb 1.57 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.61 1spy h ARG 46 CO 0.13 0.95 0.65 0.52 -1.07 0.00 0.00 179.97 181.14 1spy h MET 47 N 0.04 0.13 0.02 0.04 2.86 -1.55 0.88 114.93 117.35 1spy h MET 47 Ca -0.03 -0.01 -0.28 0.00 -2.06 0.00 0.00 59.70 57.33 1spy h MET 47 Cb 1.60 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 33.19 1spy h MET 47 CO 0.13 0.09 -1.52 -0.07 1.06 0.00 0.00 176.91 176.60 1spy h LEU 48 N 0.14 0.06 0.00 1.22 3.38 -1.71 -3.48 115.31 114.91 1spy h LEU 48 Ca 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1spy h LEU 48 Cb 1.60 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1spy h LEU 48 CO -0.08 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.15 1spy n GLY 49 N 1.53 3.32 3.14 0.83 0.00 0.30 -5.13 105.19 109.18 1spy n GLY 49 Ca -0.13 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1spy n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1spy n GLN 50 N 0.00 -0.04 -2.68 1.61 1.13 -1.09 -4.84 117.38 111.46 1spy n GLN 50 Ca 0.00 -0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1spy n GLN 50 Cb 0.00 -1.22 0.04 0.00 0.11 0.00 0.00 30.24 29.16 1spy n GLN 50 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1spy n ASN 51 N 2.20 1.09 -4.76 1.08 5.03 -1.26 -3.85 115.26 114.79 1spy n ASN 51 Ca 0.01 -2.70 -0.40 0.00 0.87 0.00 0.00 54.58 52.36 1spy n ASN 51 Cb 0.54 -0.38 -0.04 0.00 -1.02 0.00 0.00 39.78 38.89 1spy n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1spy s PRO 52 N -2.77 4.59 0.72 3.52 0.04 -1.26 -5.01 135.00 134.83 1spy s PRO 52 Ca 0.27 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 63.00 1spy s PRO 52 Cb 0.45 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.87 1spy s PRO 52 CO 0.02 0.16 1.13 0.95 0.04 0.00 0.00 177.00 179.31 1spy s THR 53 N -1.18 2.96 0.04 1.26 -4.23 -1.26 -4.93 115.64 108.29 1spy s THR 53 Ca 0.45 0.41 -0.18 0.00 -1.18 0.00 0.00 61.69 61.20 1spy s THR 53 Cb -0.32 -2.90 -0.20 0.00 1.34 0.00 0.00 72.50 70.43 1spy s THR 53 CO 0.41 -0.31 1.19 1.55 -0.54 0.00 0.00 174.62 176.93 1spy h PRO 54 N -0.42 0.52 0.00 3.99 0.13 -1.98 -2.56 132.00 131.68 1spy h PRO 54 Ca -0.46 -0.47 -0.06 0.00 -0.87 0.00 0.00 66.00 64.15 1spy h PRO 54 Cb 1.26 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1spy h PRO 54 CO 0.52 1.10 -0.27 1.49 -0.23 0.00 0.00 178.00 180.60 1spy h GLU 55 N 0.10 0.00 -0.01 0.86 4.81 -2.03 -2.43 114.58 115.89 1spy h GLU 55 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1spy h GLU 55 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1spy h GLU 55 CO 0.12 0.27 -0.28 0.39 -0.73 0.00 0.00 179.01 178.79 1spy n GLU 56 N -3.67 0.70 0.05 1.92 1.02 -1.21 -4.05 120.64 115.40 1spy n GLU 56 Ca -0.01 -0.40 -0.22 0.00 -0.02 0.00 0.00 57.16 56.51 1spy n GLU 56 Cb 0.39 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.17 1spy n GLU 56 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1spy h LEU 57 N 0.98 0.52 -2.18 -4.62 3.38 -1.00 -3.30 115.31 109.08 1spy h LEU 57 Ca 0.00 -0.91 0.02 0.00 0.09 0.00 0.00 57.88 57.08 1spy h LEU 57 Cb 0.49 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1spy h LEU 57 CO 0.00 1.56 0.06 1.56 0.09 0.00 0.00 178.44 181.70 1spy h GLN 58 N -0.22 0.00 0.00 1.13 1.08 -1.70 -0.72 115.11 114.68 1spy h GLN 58 Ca -0.23 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.91 1spy h GLN 58 Cb 1.81 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.23 1spy h GLN 58 CO 0.14 0.00 -0.25 1.49 -0.95 0.00 0.00 178.83 179.26 1spy h GLU 59 N 0.00 0.00 0.03 1.46 4.81 -1.74 -2.26 114.58 116.89 1spy h GLU 59 Ca 0.03 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.01 1spy h GLU 59 Cb 0.14 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1spy h GLU 59 CO -0.00 0.25 -1.32 1.98 -0.73 0.00 0.00 179.01 179.20 1spy h MET 60 N 0.00 0.07 -0.05 1.92 4.05 -1.27 -3.35 114.93 116.31 1spy h MET 60 Ca -0.00 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 1spy h MET 60 Cb 0.49 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1spy h MET 60 CO 0.03 0.90 -0.05 0.82 0.23 0.00 0.00 176.91 178.85 1spy h ILE 61 N 0.02 1.38 -0.92 1.77 2.04 -1.24 -2.51 117.51 118.05 1spy h ILE 61 Ca -0.14 -1.20 0.26 0.00 1.00 0.00 0.00 64.86 64.79 1spy h ILE 61 Cb 1.90 2.07 -0.15 0.00 -0.74 0.00 0.00 36.82 39.91 1spy h ILE 61 CO 0.13 0.32 0.31 -0.78 0.00 0.00 0.00 178.15 178.13 1spy h ASP 62 N -0.34 0.10 1.59 1.72 1.82 -1.56 2.22 116.42 121.99 1spy h ASP 62 Ca 0.01 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1spy h ASP 62 Cb 0.55 0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.81 1spy h ASP 62 CO 0.01 -0.17 0.00 -0.33 -1.61 0.00 0.00 179.24 177.14 1spy h GLU 63 N 0.22 0.00 0.04 0.28 5.08 -1.67 -2.71 114.58 115.81 1spy h GLU 63 Ca 0.61 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.60 1spy h GLU 63 Cb 1.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1spy h GLU 63 CO -0.66 0.00 -2.10 0.28 -1.00 0.00 0.00 179.01 175.52 1spy n VAL 64 N -2.80 1.59 -1.39 3.13 0.31 0.52 -4.38 118.33 115.31 1spy n VAL 64 Ca 0.04 -0.44 -0.35 0.00 -0.01 0.00 0.00 64.34 63.58 1spy n VAL 64 Cb 0.44 -1.75 0.08 0.00 -0.91 0.00 0.00 33.84 31.70 1spy n VAL 64 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1spy n ASP 65 N -3.80 7.58 -2.79 4.52 2.03 0.63 -4.81 116.55 119.92 1spy n ASP 65 Ca -0.41 -3.79 -0.17 0.00 0.52 0.00 0.00 54.79 50.93 1spy n ASP 65 Cb 0.92 -0.96 -0.05 0.00 -0.72 0.00 0.00 41.12 40.31 1spy n ASP 65 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1spy n GLU 66 N -0.89 1.87 0.00 -0.67 4.07 -1.02 -2.91 120.64 121.08 1spy n GLU 66 Ca 0.62 -1.17 0.00 0.00 -0.06 0.00 0.00 57.16 56.54 1spy n GLU 66 Cb 0.65 -2.22 0.00 0.00 -0.06 0.00 0.00 31.44 29.81 1spy n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1spy n ASP 67 N 3.54 0.00 0.00 4.31 5.68 -1.26 -5.08 116.55 123.74 1spy n ASP 67 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.69 1spy n ASP 67 Cb 0.31 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1spy n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1spy n GLY 68 N 0.00 -0.54 0.70 6.12 0.00 -1.15 -4.99 105.19 105.34 1spy n GLY 68 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.03 -0.05 1.61 2.88 -1.26 -4.96 113.62 111.81 1spy n SER 69 Ca 0.00 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 1spy n SER 69 Cb 0.00 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.01 0.96 2.89 0.46 0.00 -1.26 -5.03 105.19 103.20 1spy n GLY 70 Ca -0.01 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.10 -0.09 0.24 2.61 -4.23 -1.26 -2.19 115.64 108.62 1spy s THR 71 Ca 0.00 0.22 0.07 0.00 -1.18 0.00 0.00 61.69 60.80 1spy s THR 71 Cb 0.00 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.57 1spy s THR 71 CO 0.00 0.09 0.21 0.68 -0.54 0.00 0.00 174.62 175.06 1spy s VAL 72 N 1.37 4.54 0.43 2.29 -7.23 -0.76 -4.87 120.40 116.17 1spy s VAL 72 Ca -0.07 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1spy s VAL 72 Cb -0.12 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.39 1spy s VAL 72 CO -0.06 -0.32 0.01 -0.90 -0.31 0.00 0.00 175.10 173.52 1spy n ASP 73 N -1.10 3.17 0.28 4.85 5.68 -1.26 -0.77 116.55 127.40 1spy n ASP 73 Ca -0.08 -2.86 0.19 0.00 -0.50 0.00 0.00 54.79 51.54 1spy n ASP 73 Cb 0.57 0.29 1.00 0.00 -1.14 0.00 0.00 41.12 41.85 1spy n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1spy h PHE 74 N 1.20 0.00 0.18 2.11 3.57 -1.99 0.15 116.94 122.16 1spy h PHE 74 Ca -0.35 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 60.84 1spy h PHE 74 Cb 1.07 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.83 1spy h PHE 74 CO 0.00 0.00 -1.48 -0.44 -2.23 0.00 0.00 178.31 174.16 1spy h ASP 75 N 0.00 0.60 0.00 0.41 3.32 -1.94 -3.26 116.42 115.54 1spy h ASP 75 Ca 0.00 -0.92 -0.01 0.00 0.02 0.00 0.00 57.03 56.12 1spy h ASP 75 Cb 0.01 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1spy h ASP 75 CO 0.00 1.68 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.81 1spy h GLU 76 N -0.05 0.00 -0.63 3.56 4.39 -1.73 -3.26 114.58 116.86 1spy h GLU 76 Ca -0.29 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.48 1spy h GLU 76 Cb 1.97 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 30.53 1spy h GLU 76 CO 0.17 0.70 -0.54 0.35 -1.16 0.00 0.00 179.01 178.52 1spy h PHE 77 N -1.00 -1.70 -0.71 4.33 3.57 -0.93 0.72 116.94 121.22 1spy h PHE 77 Ca -0.01 0.10 0.14 0.00 3.53 0.00 0.00 57.97 61.72 1spy h PHE 77 Cb 0.72 0.82 -0.13 0.00 2.79 0.00 0.00 35.95 40.15 1spy h PHE 77 CO 0.18 -0.42 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.54 1spy h LEU 78 N -0.22 -0.84 -1.62 0.59 4.07 -1.72 0.85 115.31 116.42 1spy h LEU 78 Ca 0.10 0.23 0.21 0.00 0.08 0.00 0.00 57.88 58.50 1spy h LEU 78 Cb 0.49 0.50 -0.06 0.00 1.08 0.00 0.00 40.66 42.67 1spy h LEU 78 CO -0.70 -0.26 0.60 0.58 -1.08 0.00 0.00 178.44 177.57 1spy h VAL 79 N -0.04 0.65 0.00 1.22 2.07 -0.93 0.37 116.25 119.59 1spy h VAL 79 Ca 0.32 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.60 1spy h VAL 79 Cb 0.55 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1spy h VAL 79 CO -0.75 0.06 -0.67 0.24 0.02 0.00 0.00 177.57 176.47 1spy h MET 80 N 0.31 0.00 0.24 1.57 2.86 0.14 -3.08 114.93 116.98 1spy h MET 80 Ca 0.45 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.08 1spy h MET 80 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1spy h MET 80 CO -0.14 0.67 -0.12 0.52 1.06 0.00 0.00 176.91 178.90 1spy h MET 81 N 0.00 -0.32 -0.77 1.72 2.07 0.88 -2.74 114.93 115.78 1spy h MET 81 Ca -0.01 0.02 0.22 0.00 -2.07 0.00 0.00 59.70 57.87 1spy h MET 81 Cb 1.35 0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 31.12 1spy h MET 81 CO 0.09 -0.10 0.60 -0.39 1.07 0.00 0.00 176.91 178.18 1spy h VAL 82 N -1.04 0.52 0.00 -2.22 -1.51 -1.40 0.67 116.25 111.26 1spy h VAL 82 Ca -0.03 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.40 1spy h VAL 82 Cb 0.37 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 1spy h VAL 82 CO 0.06 0.00 -0.19 -0.09 -1.23 0.00 0.00 177.57 176.12 1spy h ARG 83 N 0.00 0.00 0.00 5.19 2.43 -1.54 -3.11 114.38 117.36 1spy h ARG 83 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1spy h ARG 83 Cb 1.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 1spy h ARG 83 CO -0.00 0.19 0.00 0.00 -1.51 0.00 0.00 179.97 178.64 1spy s MET 85 N -3.40 0.42 -0.29 0.00 0.23 -1.17 -5.12 119.30 109.97 1spy s MET 85 Ca 0.04 -0.24 -0.17 0.00 -1.03 0.00 0.00 55.69 54.30 1spy s MET 85 Cb 0.09 0.18 0.17 0.00 -1.53 0.00 0.00 34.83 33.74 1spy s MET 85 CO 0.49 -0.10 1.11 0.21 -2.03 0.00 0.00 175.02 174.70 1spy s LYS 86 N -1.02 0.24 -1.17 3.16 2.20 -1.26 -4.80 119.74 117.08 1spy s LYS 86 Ca -0.11 0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.89 1spy s LYS 86 Cb -0.06 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 1spy s LYS 86 CO 0.01 -0.05 0.97 -3.47 -0.36 0.00 0.00 175.35 172.45 1spy n ASP 87 N 3.30 -3.01 -4.20 1.43 2.03 -1.26 -4.95 116.55 109.89 1spy n ASP 87 Ca -0.17 -0.65 -0.41 0.00 0.52 0.00 0.00 54.79 54.08 1spy n ASP 87 Cb 0.57 -5.09 -0.05 0.00 -0.72 0.00 0.00 41.12 35.82 1spy n ASP 87 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1spy s ASP 88 N -4.15 6.15 0.00 1.67 -1.08 -1.26 -5.33 116.67 112.67 1spy s ASP 88 Ca 0.10 -3.08 0.01 0.00 -0.52 0.00 0.00 52.55 49.06 1spy s ASP 88 Cb -0.01 -2.03 0.01 0.00 -1.46 0.00 0.00 42.92 39.43 1spy s ASP 88 CO 0.74 -0.38 0.52 -0.24 0.52 0.00 0.00 175.17 176.32