#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 6.41 -0.08 7.83 -1.08 -1.26 -5.05 116.67 123.45 1spy s ASP 2 Ca 0.00 0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.53 1spy s ASP 2 Cb 0.00 -2.27 0.02 0.00 -1.46 0.00 0.00 42.92 39.22 1spy s ASP 2 CO 0.00 -0.25 -0.06 1.51 0.52 0.00 0.00 175.17 176.90 1spy s ASP 3 N 1.49 1.62 -0.02 -0.34 -4.77 -1.26 -5.00 116.67 108.40 1spy s ASP 3 Ca 0.20 -0.20 0.15 0.00 -3.30 0.00 0.00 52.55 49.40 1spy s ASP 3 Cb -0.16 -0.63 -0.23 0.00 -1.09 0.00 0.00 42.92 40.81 1spy s ASP 3 CO 0.09 -0.09 0.34 2.30 0.70 0.00 0.00 175.17 178.51 1spy n ILE 4 N 4.54 0.00 0.03 2.11 -6.64 -1.26 -4.48 119.36 113.65 1spy n ILE 4 Ca -0.17 -0.34 -0.14 0.00 -1.77 0.00 0.00 62.75 60.33 1spy n ILE 4 Cb 0.51 0.18 -0.03 0.00 -1.44 0.00 0.00 39.64 38.85 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 0.79 -1.32 4.28 0.05 -2.00 -3.13 116.97 115.65 1spy h TYR 5 Ca 0.00 -0.38 0.38 0.00 0.05 0.00 0.00 58.73 58.79 1spy h TYR 5 Cb 0.68 -0.11 -0.07 0.00 1.01 0.00 0.00 36.73 38.24 1spy h TYR 5 CO 0.00 1.18 0.93 -0.22 -1.05 0.00 0.00 178.16 179.00 1spy h LYS 6 N 0.37 0.06 0.00 4.88 1.63 -2.00 1.67 116.57 123.18 1spy h LYS 6 Ca -0.06 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 1spy h LYS 6 Cb 1.44 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.05 1spy h LYS 6 CO 0.15 0.04 -0.14 0.00 -3.45 0.00 0.00 179.45 176.06 1spy h ALA 7 N 1.38 1.06 0.00 5.00 0.00 -1.82 -2.62 119.26 122.26 1spy h ALA 7 Ca 0.66 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.37 1spy h ALA 7 Cb 2.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 1spy h ALA 7 CO -0.08 0.17 -0.37 0.00 0.00 0.00 0.00 179.25 178.96 1spy h ALA 8 N 1.86 1.28 0.00 0.00 0.00 0.23 -2.64 119.26 119.99 1spy h ALA 8 Ca -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1spy h ALA 8 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1spy h ALA 8 CO 0.02 0.46 -0.60 0.28 0.00 0.00 0.00 179.25 179.41 1spy h VAL 9 N 0.00 0.22 -0.00 0.00 2.07 -1.50 -3.30 116.25 113.74 1spy h VAL 9 Ca -0.00 -1.35 -0.17 0.00 0.82 0.00 0.00 66.70 66.00 1spy h VAL 9 Cb 0.70 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1spy h VAL 9 CO 0.05 0.13 -0.77 -0.08 0.02 0.00 0.00 177.57 176.91 1spy h GLU 10 N 0.00 0.06 -0.61 1.57 4.22 -1.39 -3.17 114.58 115.25 1spy h GLU 10 Ca -0.02 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.32 1spy h GLU 10 Cb 1.15 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1spy h GLU 10 CO 0.02 0.80 0.25 1.96 -2.18 0.00 0.00 179.01 179.85 1spy h GLN 11 N 0.04 0.89 -6.23 1.92 4.20 -1.59 -3.41 115.11 110.93 1spy h GLN 11 Ca -0.02 -0.14 -0.56 0.00 0.06 0.00 0.00 58.65 58.00 1spy h GLN 11 Cb 1.36 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 1spy h GLN 11 CO 0.11 0.73 0.94 -0.51 -0.67 0.00 0.00 178.83 179.42 1spy s LEU 12 N -9.51 4.26 1.03 1.46 1.43 -1.20 -5.00 118.68 111.15 1spy s LEU 12 Ca -0.10 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.82 1spy s LEU 12 Cb 0.16 -3.54 0.21 0.00 0.03 0.00 0.00 46.19 43.05 1spy s LEU 12 CO 0.80 -0.80 1.07 0.42 0.23 0.00 0.00 176.35 178.08 1spy s THR 13 N 3.39 2.19 0.05 5.49 -4.23 -1.26 -4.55 115.64 116.72 1spy s THR 13 Ca 0.62 0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 61.01 1spy s THR 13 Cb -0.27 -2.37 -0.08 0.00 1.34 0.00 0.00 72.50 71.11 1spy s THR 13 CO 0.22 -0.08 1.29 -0.33 -0.54 0.00 0.00 174.62 175.18 1spy h GLU 14 N -2.07 -0.45 -0.85 3.99 5.08 -1.94 0.28 114.58 118.62 1spy h GLU 14 Ca -0.55 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.06 1spy h GLU 14 Cb 1.32 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 30.52 1spy h GLU 14 CO 0.53 -0.30 0.10 0.93 -1.00 0.00 0.00 179.01 179.28 1spy h GLU 15 N -0.46 0.12 0.33 2.33 5.08 -2.00 -0.13 114.58 119.86 1spy h GLU 15 Ca -0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1spy h GLU 15 Cb 0.43 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1spy h GLU 15 CO -0.10 0.08 -0.16 1.96 -1.00 0.00 0.00 179.01 179.80 1spy h GLN 16 N 0.13 -0.42 -0.66 2.33 4.20 -1.73 -2.65 115.11 116.30 1spy h GLN 16 Ca 0.51 0.03 0.13 0.00 0.06 0.00 0.00 58.65 59.37 1spy h GLN 16 Cb 0.98 0.10 -0.13 0.00 0.30 0.00 0.00 27.48 28.73 1spy h GLN 16 CO -0.71 -0.21 -0.23 0.87 -0.67 0.00 0.00 178.83 177.88 1spy h LYS 17 N -0.55 -0.05 -0.22 1.46 1.57 0.13 0.91 116.57 119.82 1spy h LYS 17 Ca -0.04 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1spy h LYS 17 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1spy h LYS 17 CO 0.07 -0.03 0.19 -0.91 -0.57 0.00 0.00 179.45 178.20 1spy h ASN 18 N -0.05 0.00 -0.38 0.86 2.35 -1.18 -2.11 115.58 115.07 1spy h ASN 18 Ca 0.30 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.12 1spy h ASN 18 Cb 0.52 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.83 1spy h ASN 18 CO -0.71 0.00 -0.00 -0.08 -1.65 0.00 0.00 177.43 174.99 1spy h GLU 19 N 0.00 0.09 -0.28 0.81 4.57 0.12 -1.76 114.58 118.13 1spy h GLU 19 Ca 0.11 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.11 1spy h GLU 19 Cb 0.48 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1spy h GLU 19 CO -0.00 0.06 -0.49 0.74 -1.18 0.00 0.00 179.01 178.15 1spy h PHE 20 N 0.10 0.95 -0.95 0.92 0.04 -1.38 -3.00 116.94 113.62 1spy h PHE 20 Ca 0.19 -0.32 0.17 0.00 2.80 0.00 0.00 57.97 60.81 1spy h PHE 20 Cb 0.27 -0.19 -0.08 0.00 2.20 0.00 0.00 35.95 38.14 1spy h PHE 20 CO -0.26 1.10 0.60 -0.22 -0.60 0.00 0.00 178.31 178.93 1spy h LYS 21 N 0.61 0.67 -0.17 1.51 1.63 -1.15 1.13 116.57 120.81 1spy h LYS 21 Ca 0.03 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.68 1spy h LYS 21 Cb 1.06 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 1spy h LYS 21 CO 0.10 0.45 -0.37 0.00 -3.45 0.00 0.00 179.45 176.18 1spy h ALA 22 N 1.61 1.06 0.00 5.00 0.00 -1.21 -2.67 119.26 123.04 1spy h ALA 22 Ca 0.50 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1spy h ALA 22 Cb 0.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1spy h ALA 22 CO -0.27 0.59 -0.60 0.00 0.00 0.00 0.00 179.25 178.98 1spy n ALA 23 N -2.48 3.74 -0.06 0.00 0.00 0.56 -4.01 120.51 118.26 1spy n ALA 23 Ca -0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 53.44 52.99 1spy n ALA 23 Cb 0.47 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 1spy n ALA 23 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1spy h PHE 24 N 0.00 0.00 0.00 0.00 3.04 0.15 -3.27 116.94 116.86 1spy h PHE 24 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1spy h PHE 24 Cb 0.51 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1spy h PHE 24 CO 0.00 0.35 0.00 -0.25 -2.02 0.00 0.00 178.31 176.39 1spy n ASP 25 N -4.72 0.19 0.32 0.41 8.00 -1.05 -1.99 116.55 117.71 1spy n ASP 25 Ca -0.04 0.59 0.20 0.00 0.71 0.00 0.00 54.79 56.25 1spy n ASP 25 Cb 0.17 -0.61 1.06 0.00 -0.02 0.00 0.00 41.12 41.72 1spy n ASP 25 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1spy h ILE 26 N 0.00 0.00 -1.21 0.53 1.08 -1.69 -3.19 117.51 113.03 1spy h ILE 26 Ca 0.00 0.00 -0.41 0.00 -0.39 0.00 0.00 64.86 64.06 1spy h ILE 26 Cb 0.01 0.86 -0.30 0.00 -3.07 0.00 0.00 36.82 34.33 1spy h ILE 26 CO 0.00 0.00 -0.88 0.49 -0.69 0.00 0.00 178.15 177.07 1spy n PHE 27 N -2.95 -1.29 -3.64 1.37 3.72 -0.84 -5.06 117.46 108.76 1spy n PHE 27 Ca -0.03 -3.00 -0.39 0.00 -0.05 0.00 0.00 57.45 53.99 1spy n PHE 27 Cb 0.16 0.40 -0.09 0.00 -0.94 0.00 0.00 39.48 39.01 1spy n PHE 27 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1spy s VAL 28 N -0.89 3.98 -0.07 -4.37 -7.23 -1.21 -4.22 120.40 106.39 1spy s VAL 28 Ca 0.33 -2.43 -0.02 0.00 -1.81 0.00 0.00 61.98 58.05 1spy s VAL 28 Cb 0.26 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 1spy s VAL 28 CO -0.12 -0.83 -0.09 -0.11 -0.31 0.00 0.00 175.10 173.64 1spy n LEU 29 N 4.12 1.29 -2.82 1.32 0.00 -1.18 -4.13 117.00 115.61 1spy n LEU 29 Ca 0.03 0.05 -0.15 0.00 0.00 0.00 0.00 56.01 55.94 1spy n LEU 29 Cb 0.40 -0.23 -0.04 0.00 0.00 0.00 0.00 43.42 43.55 1spy n LEU 29 CO 0.36 0.30 1.79 0.61 0.00 0.00 0.00 177.39 180.45 1spy n GLY 30 N 2.72 2.61 0.00 -3.96 0.00 -1.25 -4.69 105.19 100.62 1spy n GLY 30 Ca -0.14 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 3.71 0.00 -2.28 4.61 0.00 -1.26 -4.67 120.51 120.61 1spy n ALA 31 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 1spy n ALA 31 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 0.00 4.74 -3.46 0.00 4.07 -1.26 -4.68 120.64 120.05 1spy n GLU 32 Ca 0.00 -3.89 -0.18 0.00 -0.06 0.00 0.00 57.16 53.03 1spy n GLU 32 Cb 0.00 -2.61 0.09 0.00 -0.06 0.00 0.00 31.44 28.86 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 1.39 -2.62 0.00 4.31 2.03 -1.26 -4.84 116.55 115.57 1spy n ASP 33 Ca 0.53 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1spy n ASP 33 Cb 0.27 -5.08 0.00 0.00 -0.72 0.00 0.00 41.12 35.59 1spy n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1spy n GLY 34 N -1.27 0.14 3.66 0.27 0.00 -1.26 -5.00 105.19 101.72 1spy n GLY 34 Ca -0.25 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.32 2.47 -0.07 0.00 -4.36 -0.12 -3.08 121.20 114.72 1spy s ILE 36 Ca 0.25 -1.74 -0.18 0.00 -0.26 0.00 0.00 60.65 58.71 1spy s ILE 36 Cb -0.11 -2.96 -0.05 0.00 1.25 0.00 0.00 42.46 40.59 1spy s ILE 36 CO 0.17 -0.06 0.50 -0.55 0.24 0.00 0.00 174.94 175.24 1spy s SER 37 N -3.86 6.79 0.33 4.36 0.15 -1.26 -1.53 113.70 118.67 1spy s SER 37 Ca 0.40 0.94 0.12 0.00 0.70 0.00 0.00 55.95 58.10 1spy s SER 37 Cb 0.02 -2.31 0.99 0.00 -1.71 0.00 0.00 66.02 63.02 1spy s SER 37 CO 0.22 0.07 1.67 0.71 1.20 0.00 0.00 173.24 177.12 1spy h THR 38 N 4.42 0.35 0.00 6.45 1.35 -1.90 2.11 112.91 125.68 1spy h THR 38 Ca -0.44 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1spy h THR 38 Cb 1.19 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1spy h THR 38 CO 0.72 0.06 0.00 2.29 -0.25 0.00 0.00 175.52 178.34 1spy n LYS 39 N -5.05 0.14 -0.10 4.72 2.85 -1.26 -2.59 118.16 116.88 1spy n LYS 39 Ca 0.29 0.42 -0.09 0.00 -1.05 0.00 0.00 58.31 57.88 1spy n LYS 39 Cb 0.89 -1.79 -0.16 0.00 -0.65 0.00 0.00 35.03 33.32 1spy n LYS 39 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1spy n GLU 40 N -2.06 0.70 0.21 -1.58 1.02 0.70 -4.21 120.64 115.41 1spy n GLU 40 Ca 0.02 -0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1spy n GLU 40 Cb 0.18 -1.52 0.66 0.00 -0.02 0.00 0.00 31.44 30.74 1spy n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1spy h LEU 41 N 0.00 0.00 0.31 -4.62 6.46 -0.79 -2.91 115.31 113.77 1spy h LEU 41 Ca -0.52 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.23 1spy h LEU 41 Cb 2.18 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 42.11 1spy h LEU 41 CO 0.03 0.00 -0.18 1.23 -0.62 0.00 0.00 178.44 178.89 1spy h GLY 42 N 0.00 -0.66 1.48 3.75 0.00 -1.73 -0.95 103.07 104.96 1spy h GLY 42 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1spy h GLY 42 CO 0.00 -0.23 0.25 0.07 0.00 0.00 0.00 176.54 176.63 1spy h LYS 43 N -0.46 0.00 0.03 4.80 -0.00 -1.81 0.13 116.57 119.26 1spy h LYS 43 Ca -0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 60.65 60.39 1spy h LYS 43 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.59 1spy h LYS 43 CO 0.05 0.00 -0.97 0.28 -0.00 0.00 0.00 179.45 178.80 1spy h VAL 44 N 0.00 1.49 0.06 0.07 2.07 -1.36 -2.66 116.25 115.93 1spy h VAL 44 Ca 0.00 -2.73 -0.00 0.00 0.82 0.00 0.00 66.70 64.78 1spy h VAL 44 Cb 0.51 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1spy h VAL 44 CO 0.00 0.80 -0.03 0.24 0.02 0.00 0.00 177.57 178.60 1spy h MET 45 N 0.12 -0.08 0.00 1.57 2.86 0.55 -3.15 114.93 116.80 1spy h MET 45 Ca -0.07 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1spy h MET 45 Cb 1.64 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.31 1spy h MET 45 CO 0.15 0.50 0.00 2.89 1.06 0.00 0.00 176.91 181.52 1spy n ARG 46 N -4.81 0.11 -0.02 1.72 1.85 -1.05 -2.29 116.66 112.17 1spy n ARG 46 Ca -0.08 0.46 -0.06 0.00 -1.00 0.00 0.00 57.85 57.17 1spy n ARG 46 Cb 0.31 -1.76 0.14 0.00 -1.05 0.00 0.00 32.46 30.10 1spy n ARG 46 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 1spy h MET 47 N 0.00 0.59 0.00 2.89 2.86 -1.42 -2.99 114.93 116.85 1spy h MET 47 Ca 0.00 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1spy h MET 47 Cb 0.18 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1spy h MET 47 CO 0.00 0.82 -0.85 -0.07 1.06 0.00 0.00 176.91 177.87 1spy h LEU 48 N 0.50 0.00 0.00 1.22 4.07 -1.56 -3.48 115.31 116.06 1spy h LEU 48 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1spy h LEU 48 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1spy h LEU 48 CO 0.06 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 178.04 1spy n GLY 49 N 1.17 0.93 3.36 0.83 0.00 -1.13 -5.15 105.19 105.20 1spy n GLY 49 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 0.14 1.32 -0.47 1.61 1.11 -1.10 -5.00 119.66 117.28 1spy s GLN 50 Ca 0.00 -1.32 0.09 0.00 0.01 0.00 0.00 55.36 54.14 1spy s GLN 50 Cb 0.00 -1.71 0.32 0.00 -1.01 0.00 0.00 33.01 30.60 1spy s GLN 50 CO 0.00 0.40 0.76 0.27 0.01 0.00 0.00 175.29 176.73 1spy n ASN 51 N 0.86 2.15 -4.78 5.90 6.94 -1.26 -4.03 115.26 121.04 1spy n ASN 51 Ca -0.18 -3.21 -0.30 0.00 -0.02 0.00 0.00 54.58 50.87 1spy n ASN 51 Cb 0.54 -0.61 0.09 0.00 -2.36 0.00 0.00 39.78 37.44 1spy n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1spy s PRO 52 N -2.52 2.17 0.19 -0.53 0.04 -1.26 -5.00 135.00 128.08 1spy s PRO 52 Ca 0.42 0.92 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 1spy s PRO 52 Cb 0.27 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.83 1spy s PRO 52 CO -0.09 -1.64 0.90 0.99 0.04 0.00 0.00 177.00 177.20 1spy s THR 53 N -3.00 4.25 0.02 1.26 2.01 -1.26 -4.97 115.64 113.95 1spy s THR 53 Ca 0.61 1.98 -0.21 0.00 0.31 0.00 0.00 61.69 64.38 1spy s THR 53 Cb -0.16 -4.28 -0.18 0.00 0.01 0.00 0.00 72.50 67.90 1spy s THR 53 CO 0.56 0.46 1.23 1.55 -0.69 0.00 0.00 174.62 177.73 1spy h PRO 54 N 4.55 0.36 0.00 4.92 0.13 -2.00 -1.55 132.00 138.40 1spy h PRO 54 Ca -0.45 -0.26 -0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1spy h PRO 54 Cb 1.20 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1spy h PRO 54 CO 0.68 0.87 -0.02 0.93 -0.23 0.00 0.00 178.00 180.24 1spy h GLU 55 N -0.09 0.00 0.03 0.86 5.08 -2.03 -2.40 114.58 116.02 1spy h GLU 55 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1spy h GLU 55 Cb 0.89 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 1spy h GLU 55 CO 0.06 0.02 -1.79 0.39 -1.00 0.00 0.00 179.01 176.69 1spy n GLU 56 N -3.24 0.66 -0.27 2.33 1.02 -1.16 -4.08 120.64 115.92 1spy n GLU 56 Ca -0.02 0.29 -0.11 0.00 -0.02 0.00 0.00 57.16 57.30 1spy n GLU 56 Cb 0.16 -1.77 -0.08 0.00 -0.02 0.00 0.00 31.44 29.73 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 0.02 -1.88 -0.50 -4.62 3.38 -0.74 0.13 115.31 111.10 1spy h LEU 57 Ca -0.32 0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1spy h LEU 57 Cb 2.02 0.82 -0.05 0.00 0.09 0.00 0.00 40.66 43.54 1spy h LEU 57 CO 0.08 -0.32 0.22 1.56 0.09 0.00 0.00 178.44 180.07 1spy h GLN 58 N -0.20 0.42 -0.41 1.13 1.08 -1.75 -2.37 115.11 113.01 1spy h GLN 58 Ca 0.14 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.40 1spy h GLN 58 Cb 0.52 -0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.77 1spy h GLN 58 CO -0.76 0.27 -0.29 1.49 -0.95 0.00 0.00 178.83 178.59 1spy h GLU 59 N 0.43 -0.21 0.00 1.46 4.57 -0.95 0.37 114.58 120.25 1spy h GLU 59 Ca 0.23 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.45 1spy h GLU 59 Cb 0.19 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1spy h GLU 59 CO -0.20 -0.14 -0.19 0.52 -1.18 0.00 0.00 179.01 177.83 1spy h MET 60 N -0.22 -0.29 -0.71 1.92 2.86 -0.72 -0.09 114.93 117.68 1spy h MET 60 Ca 0.18 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.91 1spy h MET 60 Cb 0.51 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 1spy h MET 60 CO -0.53 -0.19 0.47 0.82 1.06 0.00 0.00 176.91 178.53 1spy h ILE 61 N -0.30 1.03 0.00 -1.22 2.04 -0.81 0.49 117.51 118.74 1spy h ILE 61 Ca 0.06 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1spy h ILE 61 Cb 0.38 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1spy h ILE 61 CO -0.18 0.14 -0.15 0.44 0.00 0.00 0.00 178.15 178.40 1spy h ASP 62 N 0.75 0.00 0.08 1.72 3.32 0.82 0.58 116.42 123.69 1spy h ASP 62 Ca 0.31 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.98 1spy h ASP 62 Cb 0.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1spy h ASP 62 CO -0.10 0.15 -2.14 -0.62 -1.72 0.00 0.00 179.24 174.81 1spy n GLU 63 N -3.30 0.72 0.04 3.56 1.02 0.18 -4.14 120.64 118.71 1spy n GLU 63 Ca 0.00 0.23 -0.22 0.00 -0.02 0.00 0.00 57.16 57.16 1spy n GLU 63 Cb 0.39 -1.65 -0.14 0.00 -0.02 0.00 0.00 31.44 30.02 1spy n GLU 63 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1spy h VAL 64 N 0.01 1.00 -2.65 2.62 3.04 -0.14 -3.38 116.25 116.74 1spy h VAL 64 Ca -0.47 -2.45 -0.80 0.00 -1.01 0.00 0.00 66.70 61.96 1spy h VAL 64 Cb 1.97 2.75 -0.28 0.00 -2.01 0.00 0.00 31.29 33.72 1spy h VAL 64 CO 0.02 0.78 0.83 0.47 -1.01 0.00 0.00 177.57 178.66 1spy n ASP 65 N -3.78 6.70 0.00 3.17 8.00 0.20 -4.75 116.55 126.10 1spy n ASP 65 Ca -0.25 -3.52 0.12 0.00 0.71 0.00 0.00 54.79 51.85 1spy n ASP 65 Cb 0.98 -1.21 0.70 0.00 -0.02 0.00 0.00 41.12 41.57 1spy n ASP 65 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1spy n GLU 66 N 0.79 0.86 -0.07 -1.24 -0.58 -1.26 -3.56 120.64 115.58 1spy n GLU 66 Ca 0.34 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.95 1spy n GLU 66 Cb 0.31 -1.43 -0.06 0.00 -0.57 0.00 0.00 31.44 29.69 1spy n GLU 66 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1spy h ASP 67 N 0.00 0.52 0.00 1.62 1.82 -1.91 -3.47 116.42 114.99 1spy h ASP 67 Ca 0.00 -0.45 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1spy h ASP 67 Cb 0.00 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.87 1spy h ASP 67 CO 0.00 0.86 0.00 0.61 -1.61 0.00 0.00 179.24 179.10 1spy n GLY 68 N 0.10 1.40 0.21 -0.78 0.00 -1.23 -4.99 105.19 99.90 1spy n GLY 68 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1spy n GLY 68 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1spy h SER 69 N 0.00 0.00 -3.04 1.61 0.02 -1.92 -3.46 113.55 106.76 1spy h SER 69 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 1spy h SER 69 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1spy h SER 69 CO 0.00 0.18 -0.46 0.61 -1.14 0.00 0.00 176.83 176.02 1spy n GLY 70 N 0.61 -0.29 3.15 -3.77 0.00 -1.26 -4.95 105.19 98.67 1spy n GLY 70 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.89 0.00 -0.03 2.61 -4.23 -1.26 -3.04 115.64 106.80 1spy s THR 71 Ca 0.00 -0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1spy s THR 71 Cb 0.00 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.44 1spy s THR 71 CO 0.00 -0.01 -0.11 0.68 -0.54 0.00 0.00 174.62 174.64 1spy s VAL 72 N 0.07 3.36 0.51 2.29 -7.23 -0.58 -4.90 120.40 113.92 1spy s VAL 72 Ca -0.01 -0.74 0.05 0.00 -1.81 0.00 0.00 61.98 59.47 1spy s VAL 72 Cb -0.02 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.58 1spy s VAL 72 CO 0.00 0.50 0.41 -0.90 -0.31 0.00 0.00 175.10 174.80 1spy n ASP 73 N 1.96 2.55 0.17 4.85 5.68 -1.26 -0.95 116.55 129.55 1spy n ASP 73 Ca -0.17 -2.71 0.11 0.00 -0.50 0.00 0.00 54.79 51.52 1spy n ASP 73 Cb 0.52 -0.07 0.57 0.00 -1.14 0.00 0.00 41.12 41.01 1spy n ASP 73 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1spy n PHE 74 N -1.72 0.71 0.06 2.11 7.35 -1.26 -0.83 117.46 123.87 1spy n PHE 74 Ca -0.00 0.37 -0.17 0.00 -0.76 0.00 0.00 57.45 56.88 1spy n PHE 74 Cb 0.57 -1.06 -0.14 0.00 0.35 0.00 0.00 39.48 39.20 1spy n PHE 74 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1spy h ASP 75 N 0.00 0.40 0.00 -2.13 3.58 -1.95 -3.28 116.42 113.04 1spy h ASP 75 Ca 0.00 -0.59 -0.10 0.00 0.42 0.00 0.00 57.03 56.76 1spy h ASP 75 Cb 0.08 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1spy h ASP 75 CO 0.00 1.50 -0.67 -0.33 -2.88 0.00 0.00 179.24 176.86 1spy h GLU 76 N 0.07 0.00 -0.69 0.28 4.39 -1.51 -3.33 114.58 113.79 1spy h GLU 76 Ca -0.27 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.54 1spy h GLU 76 Cb 2.03 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 30.56 1spy h GLU 76 CO 0.15 0.61 -0.39 0.35 -1.16 0.00 0.00 179.01 178.58 1spy h PHE 77 N -1.00 -1.11 -0.63 4.33 3.57 -1.19 0.12 116.94 121.02 1spy h PHE 77 Ca -0.15 0.08 0.12 0.00 3.53 0.00 0.00 57.97 61.55 1spy h PHE 77 Cb 0.87 0.59 -0.12 0.00 2.79 0.00 0.00 35.95 40.08 1spy h PHE 77 CO 0.03 -0.40 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.36 1spy h LEU 78 N -0.14 -0.99 -1.77 0.59 3.38 -1.74 0.80 115.31 115.44 1spy h LEU 78 Ca 0.24 0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.44 1spy h LEU 78 Cb 0.56 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1spy h LEU 78 CO -0.76 -0.28 0.18 0.58 0.09 0.00 0.00 178.44 178.24 1spy h VAL 79 N -0.11 1.04 0.03 1.22 2.07 -0.93 -1.48 116.25 118.10 1spy h VAL 79 Ca 0.27 -0.11 -0.23 0.00 0.82 0.00 0.00 66.70 67.46 1spy h VAL 79 Cb 0.54 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1spy h VAL 79 CO -0.70 0.06 -0.99 0.24 0.02 0.00 0.00 177.57 176.19 1spy h MET 80 N 0.31 0.28 -0.35 1.57 2.86 0.18 -2.79 114.93 117.00 1spy h MET 80 Ca 0.10 -0.34 -0.12 0.00 -2.06 0.00 0.00 59.70 57.28 1spy h MET 80 Cb 0.03 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1spy h MET 80 CO -0.02 1.07 -0.28 0.52 1.06 0.00 0.00 176.91 179.26 1spy h MET 81 N 0.14 0.72 0.00 1.72 2.07 0.10 -2.48 114.93 117.19 1spy h MET 81 Ca -0.08 -0.31 0.00 0.00 -2.07 0.00 0.00 59.70 57.24 1spy h MET 81 Cb 1.66 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 31.36 1spy h MET 81 CO 0.16 0.91 0.00 1.33 1.07 0.00 0.00 176.91 180.39 1spy n VAL 82 N -4.09 0.07 0.49 -2.22 0.24 -0.65 -3.09 118.33 109.09 1spy n VAL 82 Ca -0.01 -0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.42 1spy n VAL 82 Cb 0.46 -0.53 0.34 0.00 -1.47 0.00 0.00 33.84 32.64 1spy n VAL 82 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1spy h ARG 83 N 0.00 0.00 -0.19 7.34 3.08 -1.15 -3.16 114.38 120.30 1spy h ARG 83 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1spy h ARG 83 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1spy h ARG 83 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1spy n MET 85 N 0.96 1.84 0.00 0.00 0.00 -1.20 -4.96 117.12 113.76 1spy n MET 85 Ca 0.12 -3.33 0.00 0.00 0.00 0.00 0.00 57.70 54.50 1spy n MET 85 Cb 0.45 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 32.22 1spy n MET 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1spy n LYS 86 N -0.48 0.00 -3.81 3.17 4.81 -1.23 -5.01 118.16 115.60 1spy n LYS 86 Ca 0.19 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.50 1spy n LYS 86 Cb 0.90 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.81 1spy n LYS 86 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1spy s ASP 87 N 0.00 -0.07 -0.25 3.14 1.47 -1.26 -4.83 116.67 114.88 1spy s ASP 87 Ca 0.00 0.17 -0.22 0.00 1.18 0.00 0.00 52.55 53.68 1spy s ASP 87 Cb 0.00 0.13 -0.01 0.00 -0.34 0.00 0.00 42.92 42.70 1spy s ASP 87 CO 0.00 -0.07 0.71 -1.81 0.68 0.00 0.00 175.17 174.69 1spy s ASP 88 N 0.41 6.69 0.00 2.11 1.11 -1.26 -5.22 116.67 120.51 1spy s ASP 88 Ca -0.03 0.85 0.00 0.00 0.18 0.00 0.00 52.55 53.55 1spy s ASP 88 Cb -0.04 -2.38 0.00 0.00 1.07 0.00 0.00 42.92 41.57 1spy s ASP 88 CO -0.02 -0.43 0.00 -0.24 1.18 0.00 0.00 175.17 175.66