#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 -0.79 -2.01 6.12 2.03 -1.26 -4.97 116.55 115.67 1spy n ASP 2 Ca 0.00 -3.00 -0.05 0.00 0.52 0.00 0.00 54.79 52.26 1spy n ASP 2 Cb 0.00 0.27 -0.01 0.00 -0.72 0.00 0.00 41.12 40.66 1spy n ASP 2 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1spy n ASP 3 N 1.20 1.29 0.14 1.67 -0.08 -1.26 -5.00 116.55 114.51 1spy n ASP 3 Ca 0.17 -1.37 0.01 0.00 -1.51 0.00 0.00 54.79 52.10 1spy n ASP 3 Cb 0.59 0.15 0.33 0.00 2.34 0.00 0.00 41.12 44.53 1spy n ASP 3 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1spy h ILE 4 N 1.10 1.25 0.00 5.18 3.07 -2.03 -2.48 117.51 123.59 1spy h ILE 4 Ca -0.06 -1.20 -0.07 0.00 1.55 0.00 0.00 64.86 65.08 1spy h ILE 4 Cb 0.21 1.56 -0.01 0.00 -0.27 0.00 0.00 36.82 38.30 1spy h ILE 4 CO 0.09 0.35 -0.32 1.88 -1.05 0.00 0.00 178.15 179.10 1spy h TYR 5 N 0.12 0.00 -0.77 0.16 0.05 -2.02 -3.07 116.97 111.45 1spy h TYR 5 Ca 0.02 0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.97 1spy h TYR 5 Cb 0.62 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.24 1spy h TYR 5 CO 0.01 0.32 0.12 -0.22 -1.05 0.00 0.00 178.16 177.34 1spy h LYS 6 N 0.00 0.18 0.00 4.88 3.64 -1.82 0.80 116.57 124.25 1spy h LYS 6 Ca -0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1spy h LYS 6 Cb 0.66 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1spy h LYS 6 CO 0.04 0.12 -0.13 0.00 -2.27 0.00 0.00 179.45 177.21 1spy h ALA 7 N 1.68 1.53 -0.94 5.00 0.00 -1.70 -2.61 119.26 122.23 1spy h ALA 7 Ca 0.44 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.42 1spy h ALA 7 Cb 0.79 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 1spy h ALA 7 CO -0.60 0.16 0.51 0.00 0.00 0.00 0.00 179.25 179.33 1spy h ALA 8 N 1.87 1.53 0.00 0.00 0.00 0.51 0.21 119.26 123.38 1spy h ALA 8 Ca -0.00 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1spy h ALA 8 Cb 0.28 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1spy h ALA 8 CO 0.02 -0.15 -1.00 0.28 0.00 0.00 0.00 179.25 178.39 1spy h VAL 9 N 0.62 1.22 -0.28 0.00 2.07 -1.50 -3.32 116.25 115.06 1spy h VAL 9 Ca 0.55 -2.82 -0.13 0.00 0.82 0.00 0.00 66.70 65.11 1spy h VAL 9 Cb 0.91 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1spy h VAL 9 CO -0.42 0.69 -0.35 -0.08 0.02 0.00 0.00 177.57 177.43 1spy h GLU 10 N 0.00 0.73 -0.92 1.57 4.57 -0.79 -3.10 114.58 116.65 1spy h GLU 10 Ca -0.06 -0.41 0.07 0.00 -1.18 0.00 0.00 59.36 57.77 1spy h GLU 10 Cb 1.67 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 30.23 1spy h GLU 10 CO 0.10 1.04 0.60 1.96 -1.18 0.00 0.00 179.01 181.52 1spy h GLN 11 N 0.48 1.00 -6.74 1.92 4.20 -0.81 -3.41 115.11 111.75 1spy h GLN 11 Ca 0.04 -0.06 -0.54 0.00 0.06 0.00 0.00 58.65 58.14 1spy h GLN 11 Cb 0.93 -0.23 0.08 0.00 0.30 0.00 0.00 27.48 28.57 1spy h GLN 11 CO 0.08 0.66 0.85 1.28 -0.67 0.00 0.00 178.83 181.04 1spy n LEU 12 N -4.50 4.08 -4.83 1.46 4.77 -1.17 -4.96 117.00 111.85 1spy n LEU 12 Ca 0.14 1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 56.92 1spy n LEU 12 Cb 0.21 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 39.68 1spy n LEU 12 CO 0.32 0.04 0.47 0.42 -1.33 0.00 0.00 177.39 177.32 1spy s THR 13 N 0.15 4.57 0.33 -5.08 -4.23 -1.26 -4.76 115.64 105.36 1spy s THR 13 Ca 0.66 1.18 0.10 0.00 -1.18 0.00 0.00 61.69 62.45 1spy s THR 13 Cb -0.53 -3.69 0.34 0.00 1.34 0.00 0.00 72.50 69.96 1spy s THR 13 CO 0.46 -0.09 1.63 -0.08 -0.54 0.00 0.00 174.62 176.00 1spy h GLU 14 N 2.54 0.17 -0.38 3.99 4.81 -1.94 0.48 114.58 124.25 1spy h GLU 14 Ca -0.48 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.81 1spy h GLU 14 Cb 1.18 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.46 1spy h GLU 14 CO 0.65 0.11 -0.01 1.49 -0.73 0.00 0.00 179.01 180.52 1spy h GLU 15 N 0.18 0.09 0.12 1.92 4.81 -2.00 0.11 114.58 119.81 1spy h GLU 15 Ca 0.68 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.63 1spy h GLU 15 Cb 1.55 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.92 1spy h GLU 15 CO -0.70 0.06 -1.22 1.96 -0.73 0.00 0.00 179.01 178.37 1spy h GLN 16 N 0.09 0.41 0.00 1.92 4.20 -0.78 -3.19 115.11 117.75 1spy h GLN 16 Ca 0.19 -0.61 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 1spy h GLN 16 Cb 0.27 0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1spy h GLN 16 CO -0.33 1.26 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.84 1spy h LYS 17 N 0.16 0.00 -0.06 1.46 3.64 0.20 -2.58 116.57 119.38 1spy h LYS 17 Ca -0.15 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.04 1spy h LYS 17 Cb 1.91 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.75 1spy h LYS 17 CO 0.21 0.04 -0.68 -0.91 -2.27 0.00 0.00 179.45 175.84 1spy h ASN 18 N 0.00 0.71 -0.85 4.20 2.35 -0.77 -2.95 115.58 118.26 1spy h ASN 18 Ca -0.00 -0.69 0.19 0.00 -0.55 0.00 0.00 56.30 55.24 1spy h ASN 18 Cb 0.20 -0.21 -0.11 0.00 0.05 0.00 0.00 38.32 38.25 1spy h ASN 18 CO 0.00 1.29 0.37 -0.33 -1.65 0.00 0.00 177.43 177.12 1spy h GLU 19 N 0.18 0.44 -0.29 0.81 5.08 -1.53 0.09 114.58 119.35 1spy h GLU 19 Ca -0.07 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1spy h GLU 19 Cb 1.34 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1spy h GLU 19 CO 0.14 0.29 -0.52 0.74 -1.00 0.00 0.00 179.01 178.66 1spy h PHE 20 N 0.45 1.06 -0.40 4.33 0.04 -1.62 -2.92 116.94 117.87 1spy h PHE 20 Ca 0.50 -0.37 0.08 0.00 2.80 0.00 0.00 57.97 60.99 1spy h PHE 20 Cb 0.87 -0.20 -0.09 0.00 2.20 0.00 0.00 35.95 38.73 1spy h PHE 20 CO -0.14 1.19 -0.19 -0.22 -0.60 0.00 0.00 178.31 178.35 1spy h LYS 21 N 0.66 -0.11 0.00 1.51 3.64 -0.80 0.42 116.57 121.89 1spy h LYS 21 Ca 0.02 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1spy h LYS 21 Cb 1.12 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1spy h LYS 21 CO 0.12 -0.07 -0.10 0.00 -2.27 0.00 0.00 179.45 177.13 1spy h ALA 22 N 1.17 1.08 0.00 5.00 0.00 -1.48 -2.15 119.26 122.89 1spy h ALA 22 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1spy h ALA 22 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1spy h ALA 22 CO -0.47 0.12 -0.49 0.00 0.00 0.00 0.00 179.25 178.41 1spy n ALA 23 N -2.18 3.16 -0.06 0.00 0.00 0.81 -3.88 120.51 118.37 1spy n ALA 23 Ca -0.01 -0.28 -0.19 0.00 0.00 0.00 0.00 53.44 52.96 1spy n ALA 23 Cb 0.30 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 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 0.13 0.00 0.00 3.57 0.33 -3.31 116.94 117.66 1spy h PHE 24 Ca 0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1spy h PHE 24 Cb 0.60 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1spy h PHE 24 CO 0.00 1.35 0.00 -3.47 -2.23 0.00 0.00 178.31 173.96 1spy n ASP 25 N -4.35 0.00 0.30 0.41 -0.08 -1.15 -2.53 116.55 109.15 1spy n ASP 25 Ca -0.23 0.45 0.16 0.00 -1.51 0.00 0.00 54.79 53.66 1spy n ASP 25 Cb 0.68 -0.46 0.94 0.00 2.34 0.00 0.00 41.12 44.62 1spy n ASP 25 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1spy h ILE 26 N 0.00 0.47 -2.01 5.18 1.08 -1.67 -3.23 117.51 117.33 1spy h ILE 26 Ca 0.00 0.00 -0.49 0.00 -0.39 0.00 0.00 64.86 63.98 1spy h ILE 26 Cb 0.11 0.99 -0.40 0.00 -3.07 0.00 0.00 36.82 34.45 1spy h ILE 26 CO 0.00 0.00 -1.18 0.49 -0.69 0.00 0.00 178.15 176.77 1spy n PHE 27 N -3.77 0.23 -0.13 1.37 3.72 -1.05 -4.90 117.46 112.93 1spy n PHE 27 Ca -0.03 -3.80 -0.06 0.00 -0.05 0.00 0.00 57.45 53.51 1spy n PHE 27 Cb 0.10 -0.42 0.14 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.37 1.92 -1.26 -4.37 0.31 -1.22 -3.55 118.33 110.53 1spy n VAL 28 Ca 0.25 -0.92 -0.40 0.00 -0.01 0.00 0.00 64.34 63.25 1spy n VAL 28 Cb 0.64 -0.59 -0.13 0.00 -0.91 0.00 0.00 33.84 32.86 1spy n VAL 28 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1spy n LEU 29 N -0.10 0.36 0.00 7.52 0.00 -1.26 -4.31 117.00 119.20 1spy n LEU 29 Ca 0.26 0.27 0.00 0.00 0.00 0.00 0.00 56.01 56.53 1spy n LEU 29 Cb 0.99 -0.80 0.00 0.00 0.00 0.00 0.00 43.42 43.61 1spy n LEU 29 CO 0.27 -0.64 0.00 0.61 0.00 0.00 0.00 177.39 177.62 1spy n GLY 30 N 5.94 3.62 0.99 -3.96 0.00 -1.26 -4.89 105.19 105.62 1spy n GLY 30 Ca 0.56 0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.82 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 12.03 -1.61 -0.32 4.61 0.00 -1.26 -4.39 120.51 129.57 1spy n ALA 31 Ca 0.00 0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.86 1spy n ALA 31 Cb 0.00 -1.10 0.15 0.00 0.00 0.00 0.00 19.45 18.50 1spy n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1spy h GLU 32 N -0.08 0.01 -0.17 0.00 4.81 -1.92 -3.42 114.58 113.80 1spy h GLU 32 Ca -0.02 -0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.47 1spy h GLU 32 Cb 0.67 -0.00 -0.25 0.00 0.63 0.00 0.00 28.75 29.80 1spy h GLU 32 CO 0.01 0.01 0.41 0.16 -0.73 0.00 0.00 179.01 178.87 1spy s ASP 33 N -5.21 -0.13 -1.03 1.04 -4.77 -1.26 -5.01 116.67 100.30 1spy s ASP 33 Ca -0.14 0.14 -0.14 0.00 -3.30 0.00 0.00 52.55 49.11 1spy s ASP 33 Cb 0.25 1.13 -0.02 0.00 -1.09 0.00 0.00 42.92 43.20 1spy s ASP 33 CO 0.77 -0.02 0.78 0.61 0.70 0.00 0.00 175.17 178.01 1spy n GLY 34 N 4.95 -1.09 3.07 2.12 0.00 -1.26 -5.00 105.19 107.97 1spy n GLY 34 Ca -0.08 0.50 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 0.05 3.47 0.25 0.00 -4.36 -1.01 -4.10 121.20 115.50 1spy s ILE 36 Ca -0.01 -1.26 -0.15 0.00 -0.26 0.00 0.00 60.65 58.97 1spy s ILE 36 Cb -0.01 -3.19 -0.08 0.00 1.25 0.00 0.00 42.46 40.42 1spy s ILE 36 CO 0.00 -0.13 0.67 -0.55 0.24 0.00 0.00 174.94 175.17 1spy s SER 37 N -4.08 6.83 0.31 4.36 0.15 -1.26 -1.85 113.70 118.16 1spy s SER 37 Ca 0.44 1.22 0.07 0.00 0.70 0.00 0.00 55.95 58.38 1spy s SER 37 Cb -0.06 -2.35 0.78 0.00 -1.71 0.00 0.00 66.02 62.68 1spy s SER 37 CO 0.28 -0.07 1.77 0.71 1.20 0.00 0.00 173.24 177.13 1spy h THR 38 N 2.30 0.68 -0.09 6.45 1.35 -1.85 0.36 112.91 122.11 1spy h THR 38 Ca -0.48 -0.25 -0.06 0.00 -0.55 0.00 0.00 66.41 65.07 1spy h THR 38 Cb 1.18 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 1spy h THR 38 CO 0.66 0.13 -0.23 0.11 -0.25 0.00 0.00 175.52 175.94 1spy h LYS 39 N 0.72 0.16 0.07 4.72 1.57 -1.93 -2.79 116.57 119.10 1spy h LYS 39 Ca 0.58 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 59.07 1spy h LYS 39 Cb 0.97 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1spy h LYS 39 CO -0.38 0.39 -1.18 0.93 -0.57 0.00 0.00 179.45 178.64 1spy h GLU 40 N 0.14 0.16 -0.56 3.15 4.39 -0.76 -3.32 114.58 117.79 1spy h GLU 40 Ca 0.02 -0.27 0.11 0.00 0.34 0.00 0.00 59.36 59.56 1spy h GLU 40 Cb 0.49 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.15 1spy h GLU 40 CO 0.03 1.11 0.02 1.25 -1.16 0.00 0.00 179.01 180.26 1spy h LEU 41 N 0.04 -0.21 -0.60 1.33 5.85 -0.70 -1.64 115.31 119.38 1spy h LEU 41 Ca -0.10 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1spy h LEU 41 Cb 1.90 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 43.05 1spy h LEU 41 CO 0.17 -0.08 -0.51 1.23 -0.34 0.00 0.00 178.44 178.91 1spy h GLY 42 N 0.13 -0.72 1.19 3.75 0.00 -1.65 1.30 103.07 107.07 1spy h GLY 42 Ca 0.29 0.67 0.08 0.00 0.00 0.00 0.00 47.33 48.37 1spy h GLY 42 CO -0.46 -0.11 0.35 0.50 0.00 0.00 0.00 176.54 176.82 1spy h LYS 43 N -0.25 0.33 0.00 4.80 1.57 -1.51 0.13 116.57 121.64 1spy h LYS 43 Ca 0.14 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1spy h LYS 43 Cb 0.55 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1spy h LYS 43 CO -0.71 0.22 -0.12 0.28 -0.57 0.00 0.00 179.45 178.55 1spy h VAL 44 N 0.34 0.20 0.00 0.50 2.07 0.13 -3.03 116.25 116.45 1spy h VAL 44 Ca 0.23 -1.28 -0.24 0.00 0.82 0.00 0.00 66.70 66.23 1spy h VAL 44 Cb 0.48 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1spy h VAL 44 CO -0.06 0.11 -1.50 0.24 0.02 0.00 0.00 177.57 176.39 1spy h MET 45 N 0.00 0.00 0.00 1.57 2.86 0.37 -3.33 114.93 116.40 1spy h MET 45 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1spy h MET 45 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1spy h MET 45 CO 0.01 0.50 -0.21 2.89 1.06 0.00 0.00 176.91 181.17 1spy n ARG 46 N -3.05 0.26 -0.03 1.72 1.85 0.15 0.81 116.66 118.38 1spy n ARG 46 Ca -0.12 0.17 -0.15 0.00 -1.00 0.00 0.00 57.85 56.74 1spy n ARG 46 Cb 0.97 -1.76 -0.11 0.00 -1.05 0.00 0.00 32.46 30.51 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 0.19 0.00 2.89 2.86 -1.64 -3.41 114.93 115.83 1spy h MET 47 Ca 0.00 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 1spy h MET 47 Cb 0.73 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 1spy h MET 47 CO 0.00 0.91 -0.49 1.47 1.06 0.00 0.00 176.91 179.86 1spy n LEU 48 N -4.50 0.10 -2.52 1.22 -0.00 -1.25 -4.89 117.00 105.17 1spy n LEU 48 Ca -0.10 -1.15 -0.21 0.00 -0.00 0.00 0.00 56.01 54.56 1spy n LEU 48 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.93 1spy n LEU 48 CO 0.39 0.42 0.09 0.61 -0.00 0.00 0.00 177.39 178.90 1spy n GLY 49 N 0.06 4.57 7.00 1.47 0.00 0.24 -5.04 105.19 113.49 1spy n GLY 49 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.37 0.00 -3.53 1.61 3.00 -1.14 -4.46 117.38 112.49 1spy n GLN 50 Ca 0.29 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 57.01 1spy n GLN 50 Cb 0.73 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.87 1spy n GLN 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1spy n ASN 51 N -3.10 0.71 -3.17 1.08 4.13 -1.26 -3.70 115.26 109.96 1spy n ASN 51 Ca 0.00 -2.67 0.00 0.00 1.68 0.00 0.00 54.58 53.59 1spy n ASN 51 Cb 0.00 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 1spy n ASN 51 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1spy n PRO 52 N 2.42 0.84 -4.29 3.52 -0.04 -1.26 -5.07 135.00 131.12 1spy n PRO 52 Ca 0.27 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.45 1spy n PRO 52 Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 1spy n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1spy s THR 53 N -0.10 3.11 -1.02 0.52 -1.32 -1.26 -5.00 115.64 110.57 1spy s THR 53 Ca 0.00 -1.61 0.19 0.00 -1.21 0.00 0.00 61.69 59.06 1spy s THR 53 Cb 0.00 -2.51 0.16 0.00 -1.51 0.00 0.00 72.50 68.64 1spy s THR 53 CO 0.00 -0.05 1.60 -0.81 -2.21 0.00 0.00 174.62 173.15 1spy n PRO 54 N 0.26 0.01 -0.05 7.08 -0.04 -1.26 -3.00 135.00 138.00 1spy n PRO 54 Ca -0.12 0.18 -0.16 0.00 -0.04 0.00 0.00 63.50 63.35 1spy n PRO 54 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 1spy n PRO 54 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1spy h GLU 55 N 0.00 0.06 -0.44 0.54 4.39 -2.02 -3.33 114.58 113.79 1spy h GLU 55 Ca 0.00 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 1spy h GLU 55 Cb 0.32 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1spy h GLU 55 CO 0.00 1.05 0.02 0.93 -1.16 0.00 0.00 179.01 179.85 1spy h GLU 56 N -0.87 0.76 -0.71 2.33 4.39 -1.98 -3.08 114.58 115.42 1spy h GLU 56 Ca -0.08 -0.23 0.09 0.00 0.34 0.00 0.00 59.36 59.47 1spy h GLU 56 Cb 1.17 -0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.64 1spy h GLU 56 CO 0.00 0.82 -0.51 -0.07 -1.16 0.00 0.00 179.01 178.09 1spy h LEU 57 N 0.60 -1.79 -0.62 1.33 4.07 -1.68 0.24 115.31 117.46 1spy h LEU 57 Ca 0.13 0.28 0.08 0.00 0.08 0.00 0.00 57.88 58.45 1spy h LEU 57 Cb 0.46 0.80 -0.07 0.00 1.08 0.00 0.00 40.66 42.93 1spy h LEU 57 CO 0.02 -0.32 0.27 -0.61 -1.08 0.00 0.00 178.44 176.72 1spy h GLN 58 N -0.18 0.47 -0.69 1.13 5.75 -1.65 -0.28 115.11 119.65 1spy h GLN 58 Ca 0.16 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.70 1spy h GLN 58 Cb 0.53 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.92 1spy h GLN 58 CO -0.77 0.31 0.39 1.49 -2.65 0.00 0.00 178.83 177.60 1spy h GLU 59 N 0.48 0.70 -0.51 1.69 4.22 -0.57 0.25 114.58 120.84 1spy h GLU 59 Ca 0.30 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.59 1spy h GLU 59 Cb 0.32 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1spy h GLU 59 CO -0.26 0.46 -0.11 1.98 -2.18 0.00 0.00 179.01 178.90 1spy h MET 60 N 0.72 0.98 -0.10 1.92 4.05 0.17 -2.91 114.93 119.76 1spy h MET 60 Ca 0.31 -0.37 -0.11 0.00 -0.28 0.00 0.00 59.70 59.25 1spy h MET 60 Cb 0.19 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1spy h MET 60 CO -0.18 1.04 -0.44 0.82 0.23 0.00 0.00 176.91 178.38 1spy h ILE 61 N 0.84 1.32 -0.65 1.77 2.04 -0.38 -1.68 117.51 120.78 1spy h ILE 61 Ca 0.13 -1.59 0.07 0.00 1.00 0.00 0.00 64.86 64.47 1spy h ILE 61 Cb 0.67 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 38.43 1spy h ILE 61 CO 0.05 0.47 0.33 -0.78 0.00 0.00 0.00 178.15 178.22 1spy h ASP 62 N 0.19 0.46 1.55 1.72 3.58 -0.32 1.68 116.42 125.27 1spy h ASP 62 Ca 0.01 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1spy h ASP 62 Cb 0.86 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1spy h ASP 62 CO 0.07 0.29 -0.43 1.05 -2.88 0.00 0.00 179.24 177.33 1spy h GLU 63 N 0.60 0.00 0.12 0.28 4.11 -1.51 -3.26 114.58 114.91 1spy h GLU 63 Ca 0.31 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.41 1spy h GLU 63 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1spy h GLU 63 CO -0.22 0.00 -1.70 0.28 0.07 0.00 0.00 179.01 177.44 1spy h VAL 64 N 0.00 0.83 -0.83 -1.06 2.07 -0.28 -3.36 116.25 113.63 1spy h VAL 64 Ca 0.00 -2.37 -0.53 0.00 0.82 0.00 0.00 66.70 64.62 1spy h VAL 64 Cb 0.99 2.58 -0.22 0.00 -1.52 0.00 0.00 31.29 33.12 1spy h VAL 64 CO 0.00 0.77 0.68 0.47 0.02 0.00 0.00 177.57 179.51 1spy n ASP 65 N -3.74 7.15 0.04 0.57 9.92 0.56 -4.55 116.55 126.49 1spy n ASP 65 Ca -0.29 -3.47 0.05 0.00 -0.53 0.00 0.00 54.79 50.56 1spy n ASP 65 Cb 0.97 -1.03 0.24 0.00 -0.64 0.00 0.00 41.12 40.66 1spy n ASP 65 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1spy n GLU 66 N -0.30 0.04 0.00 -1.24 -0.00 -1.23 -1.48 120.64 116.42 1spy n GLU 66 Ca 0.48 0.43 0.14 0.00 -0.00 0.00 0.00 57.16 58.21 1spy n GLU 66 Cb 0.60 -1.61 0.70 0.00 -0.00 0.00 0.00 31.44 31.14 1spy n GLU 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1spy n ASP 67 N -1.69 0.00 -1.64 -1.84 5.75 -1.26 -4.92 116.55 110.94 1spy n ASP 67 Ca 0.01 -0.16 -0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1spy n ASP 67 Cb 0.08 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1spy n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1spy n GLY 68 N 1.02 -0.24 1.88 6.12 0.00 -0.55 -5.03 105.19 108.39 1spy n GLY 68 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.15 -0.02 0.00 1.61 2.88 -1.26 -5.05 113.62 110.64 1spy n SER 69 Ca -0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1spy n SER 69 Cb 0.50 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 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 1.71 0.83 2.85 0.46 0.00 -1.26 -5.05 105.19 104.73 1spy n GLY 70 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 -0.03 0.08 2.61 -4.23 -1.26 -2.39 115.64 108.42 1spy s THR 71 Ca 0.00 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.63 1spy s THR 71 Cb 0.00 -0.08 -0.04 0.00 1.34 0.00 0.00 72.50 73.72 1spy s THR 71 CO 0.00 0.04 0.18 0.68 -0.54 0.00 0.00 174.62 174.99 1spy s VAL 72 N 0.55 5.16 0.47 2.29 -7.23 -0.77 -4.90 120.40 115.97 1spy s VAL 72 Ca -0.04 -0.53 0.07 0.00 -1.81 0.00 0.00 61.98 59.66 1spy s VAL 72 Cb -0.06 -3.53 -0.00 0.00 0.56 0.00 0.00 36.38 33.35 1spy s VAL 72 CO -0.02 0.11 0.35 -1.81 -0.31 0.00 0.00 175.10 173.42 1spy s ASP 73 N -2.57 4.74 0.23 4.85 1.11 -1.26 -2.41 116.67 121.35 1spy s ASP 73 Ca 0.33 -1.03 0.16 0.00 0.18 0.00 0.00 52.55 52.19 1spy s ASP 73 Cb -0.13 -0.12 0.84 0.00 1.07 0.00 0.00 42.92 44.59 1spy s ASP 73 CO 0.27 -0.83 1.48 0.33 1.18 0.00 0.00 175.17 177.59 1spy n PHE 74 N -1.58 0.53 0.02 4.23 7.35 -1.26 -1.35 117.46 125.39 1spy n PHE 74 Ca 0.01 0.27 -0.15 0.00 -0.76 0.00 0.00 57.45 56.82 1spy n PHE 74 Cb 0.63 -0.94 -0.14 0.00 0.35 0.00 0.00 39.48 39.38 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 0.25 0.00 -2.13 1.82 -1.96 -3.35 116.42 111.05 1spy h ASP 75 Ca 0.00 -0.44 -0.18 0.00 -0.39 0.00 0.00 57.03 56.02 1spy h ASP 75 Cb 0.00 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 1spy h ASP 75 CO 0.00 1.38 -0.97 -0.33 -1.61 0.00 0.00 179.24 177.71 1spy h GLU 76 N 0.04 0.01 -0.84 0.28 5.08 -1.63 -3.30 114.58 114.21 1spy h GLU 76 Ca -0.29 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.23 1spy h GLU 76 Cb 2.01 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 31.10 1spy h GLU 76 CO 0.12 1.01 -0.21 0.35 -1.00 0.00 0.00 179.01 179.27 1spy h PHE 77 N -0.97 -0.45 -0.41 4.33 3.57 -1.43 0.31 116.94 121.88 1spy h PHE 77 Ca -0.27 0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.33 1spy h PHE 77 Cb 1.25 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 40.29 1spy h PHE 77 CO 0.14 -0.36 0.23 -0.07 -2.23 0.00 0.00 178.31 176.02 1spy h LEU 78 N -0.00 0.37 -0.61 0.59 4.07 -1.73 -2.43 115.31 115.57 1spy h LEU 78 Ca 0.40 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.38 1spy h LEU 78 Cb 0.61 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 1spy h LEU 78 CO -0.87 0.27 0.40 0.58 -1.08 0.00 0.00 178.44 177.74 1spy h VAL 79 N 0.47 1.14 -0.81 1.22 2.07 -0.59 -2.16 116.25 117.59 1spy h VAL 79 Ca 0.17 -0.27 0.15 0.00 0.82 0.00 0.00 66.70 67.56 1spy h VAL 79 Cb 0.02 0.26 -0.10 0.00 -1.52 0.00 0.00 31.29 29.96 1spy h VAL 79 CO -0.08 0.15 0.38 0.24 0.02 0.00 0.00 177.57 178.27 1spy h MET 80 N 0.80 0.52 -0.40 1.57 2.86 -0.44 0.58 114.93 120.41 1spy h MET 80 Ca 0.23 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 1spy h MET 80 Cb -0.07 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1spy h MET 80 CO -0.06 0.34 -0.10 0.52 1.06 0.00 0.00 176.91 178.67 1spy h MET 81 N 0.53 0.71 0.00 1.72 2.07 -1.13 -2.07 114.93 116.75 1spy h MET 81 Ca 0.45 -0.22 0.00 0.00 -2.07 0.00 0.00 59.70 57.86 1spy h MET 81 Cb 0.67 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 1spy h MET 81 CO -0.39 0.79 0.17 0.28 1.07 0.00 0.00 176.91 178.83 1spy h VAL 82 N 0.65 0.00 0.00 -2.22 2.07 -0.43 0.79 116.25 117.11 1spy h VAL 82 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1spy h VAL 82 Cb 0.55 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1spy h VAL 82 CO 0.03 0.00 -1.50 -1.14 0.02 0.00 0.00 177.57 174.99 1spy n ARG 83 N -2.62 0.81 0.24 1.57 3.00 -0.81 -4.34 116.66 114.51 1spy n ARG 83 Ca -0.02 -0.11 0.12 0.00 -0.00 0.00 0.00 57.85 57.84 1spy n ARG 83 Cb 0.21 -1.36 0.53 0.00 0.00 0.00 0.00 32.46 31.84 1spy n ARG 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1spy s MET 85 N -3.71 1.97 -0.02 0.00 0.23 -1.17 -5.05 119.30 111.55 1spy s MET 85 Ca 0.00 -1.68 0.03 0.00 -1.03 0.00 0.00 55.69 53.01 1spy s MET 85 Cb 0.10 -1.91 -0.03 0.00 -1.53 0.00 0.00 34.83 31.46 1spy s MET 85 CO 0.61 0.27 -0.09 0.15 -2.03 0.00 0.00 175.02 173.93 1spy s LYS 86 N -3.62 2.56 0.00 3.16 -0.14 -1.26 -4.95 119.74 115.48 1spy s LYS 86 Ca 0.32 -0.69 0.19 0.00 -1.36 0.00 0.00 55.97 54.43 1spy s LYS 86 Cb -0.03 -2.48 0.31 0.00 -1.68 0.00 0.00 37.83 33.95 1spy s LYS 86 CO 0.18 0.62 1.12 -3.47 -0.76 0.00 0.00 175.35 173.03 1spy n ASP 87 N 1.87 0.54 -4.83 2.83 2.03 -1.26 -5.10 116.55 112.63 1spy n ASP 87 Ca -0.16 -1.98 -0.29 0.00 0.52 0.00 0.00 54.79 52.87 1spy n ASP 87 Cb 0.53 -0.17 -0.05 0.00 -0.72 0.00 0.00 41.12 40.70 1spy n ASP 87 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1spy s ASP 88 N -1.72 5.79 0.00 1.67 1.01 -1.26 -5.31 116.67 116.85 1spy s ASP 88 Ca 0.25 0.04 0.21 0.00 0.71 0.00 0.00 52.55 53.76 1spy s ASP 88 Cb 0.29 -1.62 0.16 0.00 1.01 0.00 0.00 42.92 42.76 1spy s ASP 88 CO -0.12 0.14 1.15 -1.54 0.21 0.00 0.00 175.17 175.01