#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 2.09 1.15 6.12 1.47 -1.26 -5.15 116.67 121.10 1spy s ASP 2 Ca 0.00 -0.49 -0.19 0.00 1.18 0.00 0.00 52.55 53.05 1spy s ASP 2 Cb 0.00 -0.13 0.27 0.00 -0.34 0.00 0.00 42.92 42.73 1spy s ASP 2 CO 0.00 -0.34 1.20 1.51 0.68 0.00 0.00 175.17 178.22 1spy s ASP 3 N 2.17 1.41 0.00 2.11 -4.77 -1.26 -5.06 116.67 111.28 1spy s ASP 3 Ca 0.03 0.41 0.00 0.00 -3.30 0.00 0.00 52.55 49.69 1spy s ASP 3 Cb -0.16 -0.50 0.00 0.00 -1.09 0.00 0.00 42.92 41.17 1spy s ASP 3 CO -0.09 -3.80 0.00 2.30 0.70 0.00 0.00 175.17 174.28 1spy n ILE 4 N -4.50 0.00 0.11 2.11 -5.35 -1.26 -4.77 119.36 105.69 1spy n ILE 4 Ca 0.15 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.43 1spy n ILE 4 Cb 0.60 -0.64 -0.13 0.00 -1.74 0.00 0.00 39.64 37.72 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 0.00 0.81 -1.39 4.28 0.05 -2.02 -3.24 116.97 115.46 1spy h TYR 5 Ca 0.00 -0.55 0.41 0.00 0.05 0.00 0.00 58.73 58.64 1spy h TYR 5 Cb 0.00 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 37.61 1spy h TYR 5 CO 0.00 1.40 0.98 -0.22 -1.05 0.00 0.00 178.16 179.27 1spy h LYS 6 N 0.18 0.06 0.00 4.88 3.64 -2.00 1.51 116.57 124.84 1spy h LYS 6 Ca -0.18 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1spy h LYS 6 Cb 1.96 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.76 1spy h LYS 6 CO 0.23 0.04 -0.24 0.00 -2.27 0.00 0.00 179.45 177.21 1spy h ALA 7 N 1.36 1.45 -0.55 5.00 0.00 -1.86 -2.92 119.26 121.74 1spy h ALA 7 Ca 0.71 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.50 1spy h ALA 7 Cb 2.61 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 20.28 1spy h ALA 7 CO -0.11 0.31 0.05 0.00 0.00 0.00 0.00 179.25 179.49 1spy h ALA 8 N 1.76 0.57 -0.39 0.00 0.00 0.20 -1.41 119.26 119.98 1spy h ALA 8 Ca -0.00 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1spy h ALA 8 Cb 0.48 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1spy h ALA 8 CO 0.03 -0.36 -0.00 0.28 0.00 0.00 0.00 179.25 179.20 1spy h VAL 9 N 0.17 1.26 -1.23 0.00 2.07 -1.63 -2.65 116.25 114.24 1spy h VAL 9 Ca 0.28 -1.01 0.35 0.00 0.82 0.00 0.00 66.70 67.15 1spy h VAL 9 Cb 0.43 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1spy h VAL 9 CO -0.42 0.34 0.86 -0.33 0.02 0.00 0.00 177.57 178.04 1spy h GLU 10 N 0.51 0.08 0.00 1.57 5.08 -1.25 1.19 114.58 121.76 1spy h GLU 10 Ca 0.11 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1spy h GLU 10 Cb 0.48 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1spy h GLU 10 CO 0.02 0.05 -0.39 1.96 -1.00 0.00 0.00 179.01 179.65 1spy h GLN 11 N 0.08 0.00 -6.81 2.33 4.20 -1.12 -3.43 115.11 110.37 1spy h GLN 11 Ca 0.62 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.84 1spy h GLN 11 Cb 2.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.03 1spy h GLN 11 CO -0.09 0.39 0.38 -0.51 -0.67 0.00 0.00 178.83 178.33 1spy s LEU 12 N -7.46 4.52 0.39 1.46 1.43 0.41 -5.05 118.68 114.39 1spy s LEU 12 Ca -0.01 1.99 -0.04 0.00 -1.03 0.00 0.00 54.13 55.04 1spy s LEU 12 Cb 0.12 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1spy s LEU 12 CO 0.70 0.01 0.66 0.42 0.23 0.00 0.00 176.35 178.37 1spy s THR 13 N -1.31 4.98 0.18 5.49 -4.23 -1.26 -4.93 115.64 114.57 1spy s THR 13 Ca 0.45 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.76 1spy s THR 13 Cb -0.25 -3.82 0.12 0.00 1.34 0.00 0.00 72.50 69.88 1spy s THR 13 CO 0.31 -0.61 1.59 -0.08 -0.54 0.00 0.00 174.62 175.29 1spy h GLU 14 N 0.81 -0.16 -0.99 3.99 4.81 -1.96 0.30 114.58 121.37 1spy h GLU 14 Ca -0.48 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 58.95 1spy h GLU 14 Cb 1.20 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.51 1spy h GLU 14 CO 0.63 -0.11 0.59 0.93 -0.73 0.00 0.00 179.01 180.32 1spy h GLU 15 N -0.17 0.72 -0.32 1.92 5.08 -2.01 0.27 114.58 120.07 1spy h GLU 15 Ca 0.23 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1spy h GLU 15 Cb 0.55 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1spy h GLU 15 CO -0.66 0.47 0.08 1.96 -1.00 0.00 0.00 179.01 179.86 1spy h GLN 16 N 0.74 0.46 -0.24 2.33 1.08 -0.79 -2.32 115.11 116.37 1spy h GLN 16 Ca 0.57 -0.07 -0.14 0.00 -1.45 0.00 0.00 58.65 57.56 1spy h GLN 16 Cb 0.90 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 1spy h GLN 16 CO -0.39 0.43 -0.43 0.87 -0.95 0.00 0.00 178.83 178.36 1spy h LYS 17 N 0.46 0.59 -0.00 1.46 1.57 0.17 -3.11 116.57 117.70 1spy h LYS 17 Ca 0.11 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1spy h LYS 17 Cb 0.18 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1spy h LYS 17 CO -0.00 0.91 -0.15 -0.91 -0.57 0.00 0.00 179.45 178.73 1spy h ASN 18 N 0.48 -0.43 0.38 0.86 2.35 -0.87 -1.16 115.58 117.18 1spy h ASN 18 Ca 0.03 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1spy h ASN 18 Cb 0.95 0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 1spy h ASN 18 CO 0.08 -0.21 -0.45 -0.08 -1.65 0.00 0.00 177.43 175.13 1spy h GLU 19 N -0.25 -0.81 -0.88 0.81 4.57 -1.54 -0.24 114.58 116.23 1spy h GLU 19 Ca 0.05 0.06 0.24 0.00 -1.18 0.00 0.00 59.36 58.52 1spy h GLU 19 Cb 0.31 0.19 -0.14 0.00 -0.16 0.00 0.00 28.75 28.94 1spy h GLU 19 CO -0.14 -0.54 0.26 0.74 -1.18 0.00 0.00 179.01 178.14 1spy h PHE 20 N -0.85 0.39 -0.52 0.92 0.04 -1.46 0.32 116.94 115.78 1spy h PHE 20 Ca -0.05 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1spy h PHE 20 Cb 0.75 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 1spy h PHE 20 CO -0.27 -0.20 0.28 -0.22 -0.60 0.00 0.00 178.31 177.29 1spy h LYS 21 N 0.22 0.73 0.00 1.51 3.64 -0.43 0.51 116.57 122.76 1spy h LYS 21 Ca 0.56 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1spy h LYS 21 Cb 1.14 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1spy h LYS 21 CO -0.65 0.58 0.00 0.00 -2.27 0.00 0.00 179.45 177.11 1spy n ALA 22 N -2.30 1.43 0.15 5.00 0.00 0.10 -1.73 120.51 123.17 1spy n ALA 22 Ca 0.02 0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.67 1spy n ALA 22 Cb 0.09 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.06 1spy n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1spy n ALA 23 N -1.79 2.87 0.04 0.00 0.00 -0.46 -4.43 120.51 116.74 1spy n ALA 23 Ca 0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 1spy n ALA 23 Cb 0.16 -0.52 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 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 0.61 0.00 0.00 3.04 0.50 -3.32 116.94 117.77 1spy h PHE 24 Ca 0.00 -0.44 0.00 0.00 3.98 0.00 0.00 57.97 61.51 1spy h PHE 24 Cb 0.62 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1spy h PHE 24 CO 0.00 1.72 0.00 0.22 -2.02 0.00 0.00 178.31 178.23 1spy h ASP 25 N 0.09 0.00 -0.01 0.41 3.58 -1.57 -0.06 116.42 118.87 1spy h ASP 25 Ca -0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1spy h ASP 25 Cb 2.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.12 1spy h ASP 25 CO 0.14 0.00 0.00 -0.38 -2.88 0.00 0.00 179.24 176.12 1spy n ILE 26 N -3.01 0.01 -1.52 2.25 5.41 -1.25 -3.44 119.36 117.81 1spy n ILE 26 Ca -0.02 -0.07 0.06 0.00 1.00 0.00 0.00 62.75 63.72 1spy n ILE 26 Cb 0.11 -0.23 0.09 0.00 -0.71 0.00 0.00 39.64 38.90 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 -0.68 0.00 -0.53 1.39 3.01 -0.04 -4.76 117.46 115.86 1spy n PHE 27 Ca 0.22 -0.67 -0.08 0.00 1.01 0.00 0.00 57.45 57.93 1spy n PHE 27 Cb 0.17 -0.12 0.20 0.00 -0.01 0.00 0.00 39.48 39.72 1spy n PHE 27 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1spy n VAL 28 N -0.80 2.37 -1.53 -4.37 0.31 -1.21 -4.30 118.33 108.80 1spy n VAL 28 Ca 0.10 -1.25 -0.30 0.00 -0.01 0.00 0.00 64.34 62.88 1spy n VAL 28 Cb 0.69 -0.50 -0.12 0.00 -0.91 0.00 0.00 33.84 33.01 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 -0.22 0.80 0.00 7.52 -0.00 -1.26 -4.19 117.00 119.66 1spy n LEU 29 Ca 0.34 -0.49 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1spy n LEU 29 Cb 1.19 -1.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1spy n LEU 29 CO 0.36 -1.48 0.00 0.61 -0.00 0.00 0.00 177.39 176.88 1spy n GLY 30 N 6.21 1.46 1.53 1.47 0.00 -1.26 -4.97 105.19 109.63 1spy n GLY 30 Ca 0.54 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 4.96 -2.39 -0.05 4.61 0.00 -1.26 -4.48 120.51 121.90 1spy n ALA 31 Ca 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 53.44 54.00 1spy n ALA 31 Cb 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 17.98 1spy n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1spy h GLU 32 N -0.27 -0.02 0.00 0.00 5.08 -1.95 -3.40 114.58 114.02 1spy h GLU 32 Ca -0.05 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 1spy h GLU 32 Cb 1.03 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.14 1spy h GLU 32 CO 0.02 -0.01 -0.42 -0.40 -1.00 0.00 0.00 179.01 177.20 1spy n ASP 33 N -3.24 -2.51 0.00 1.42 5.75 -1.26 -4.97 116.55 111.73 1spy n ASP 33 Ca -0.00 -3.29 0.00 0.00 -0.01 0.00 0.00 54.79 51.49 1spy n ASP 33 Cb 0.04 1.77 0.00 0.00 -1.03 0.00 0.00 41.12 41.91 1spy n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1spy n GLY 34 N 1.10 0.92 3.18 6.12 0.00 -1.26 -5.14 105.19 110.10 1spy n GLY 34 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.80 1.56 0.19 0.00 -4.36 -0.97 -4.31 121.20 109.51 1spy s ILE 36 Ca 0.19 -2.12 -0.25 0.00 -0.26 0.00 0.00 60.65 58.20 1spy s ILE 36 Cb 0.07 -2.35 -0.08 0.00 1.25 0.00 0.00 42.46 41.34 1spy s ILE 36 CO -0.01 -0.36 0.80 -0.55 0.24 0.00 0.00 174.94 175.06 1spy s SER 37 N -3.40 7.36 0.64 4.36 0.15 -1.26 -1.17 113.70 120.38 1spy s SER 37 Ca 0.28 1.66 0.24 0.00 0.70 0.00 0.00 55.95 58.82 1spy s SER 37 Cb 0.03 -2.50 1.23 0.00 -1.71 0.00 0.00 66.02 63.07 1spy s SER 37 CO 0.10 0.16 1.69 0.71 1.20 0.00 0.00 173.24 177.10 1spy h THR 38 N 3.16 0.09 0.00 6.45 1.35 -1.82 0.90 112.91 123.05 1spy h THR 38 Ca -0.47 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.29 1spy h THR 38 Cb 1.20 0.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1spy h THR 38 CO 0.66 0.00 -0.56 0.50 -0.25 0.00 0.00 175.52 175.87 1spy h LYS 39 N 0.00 0.00 0.04 4.72 3.64 -1.90 -3.29 116.57 119.78 1spy h LYS 39 Ca 0.10 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.22 1spy h LYS 39 Cb 1.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1spy h LYS 39 CO -0.00 0.45 -1.28 0.93 -2.27 0.00 0.00 179.45 177.27 1spy h GLU 40 N 0.00 0.09 -1.02 1.90 4.39 0.47 -3.30 114.58 117.11 1spy h GLU 40 Ca -0.02 -0.16 0.25 0.00 0.34 0.00 0.00 59.36 59.78 1spy h GLU 40 Cb 1.37 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.99 1spy h GLU 40 CO 0.06 0.96 0.66 1.25 -1.16 0.00 0.00 179.01 180.78 1spy h LEU 41 N 0.03 0.47 -0.29 1.33 6.46 -1.53 -2.20 115.31 119.58 1spy h LEU 41 Ca -0.13 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1spy h LEU 41 Cb 1.90 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.78 1spy h LEU 41 CO 0.14 0.11 -0.30 1.23 -0.62 0.00 0.00 178.44 178.99 1spy h GLY 42 N 0.43 -1.51 0.85 3.75 0.00 -1.73 0.36 103.07 105.22 1spy h GLY 42 Ca 0.58 0.82 0.12 0.00 0.00 0.00 0.00 47.33 48.86 1spy h GLY 42 CO -0.30 -0.42 0.46 0.50 0.00 0.00 0.00 176.54 176.79 1spy h LYS 43 N -0.17 0.43 0.00 4.80 1.57 -1.64 0.13 116.57 121.68 1spy h LYS 43 Ca 0.05 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1spy h LYS 43 Cb 0.30 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1spy h LYS 43 CO -0.36 0.28 -0.25 0.28 -0.57 0.00 0.00 179.45 178.83 1spy h VAL 44 N 0.44 1.00 0.09 0.50 2.07 -0.28 -2.68 116.25 117.39 1spy h VAL 44 Ca 0.33 -0.91 -0.26 0.00 0.82 0.00 0.00 66.70 66.68 1spy h VAL 44 Cb 0.69 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1spy h VAL 44 CO -0.10 0.24 -1.20 0.24 0.02 0.00 0.00 177.57 176.77 1spy h MET 45 N 0.00 0.20 0.00 1.57 2.86 0.20 -3.21 114.93 116.55 1spy h MET 45 Ca -0.00 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1spy h MET 45 Cb 0.49 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1spy h MET 45 CO 0.03 1.15 0.00 0.00 1.06 0.00 0.00 176.91 179.15 1spy h ARG 46 N 0.05 0.00 0.00 1.72 2.47 0.12 1.17 114.38 119.91 1spy h ARG 46 Ca -0.11 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.41 1spy h ARG 46 Cb 1.92 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.22 1spy h ARG 46 CO 0.18 0.00 -0.94 0.52 0.56 0.00 0.00 179.97 180.29 1spy h MET 47 N 0.00 0.00 0.00 0.04 2.86 -1.50 -3.29 114.93 113.04 1spy h MET 47 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1spy h MET 47 Cb 0.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1spy h MET 47 CO 0.00 0.94 -1.35 1.28 1.06 0.00 0.00 176.91 178.84 1spy n LEU 48 N -3.34 0.66 0.00 1.22 4.32 -1.08 -4.94 117.00 113.84 1spy n LEU 48 Ca 0.00 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 1spy n LEU 48 Cb 0.91 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 1spy n LEU 48 CO 0.46 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 1spy n GLY 49 N 1.27 1.14 2.85 -0.72 0.00 -0.82 -5.14 105.19 103.78 1spy n GLY 49 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 0.67 -0.41 1.61 -1.52 0.40 -4.96 119.66 115.44 1spy s GLN 50 Ca 0.00 -0.02 0.10 0.00 -1.95 0.00 0.00 55.36 53.48 1spy s GLN 50 Cb 0.00 -0.79 0.31 0.00 -0.22 0.00 0.00 33.01 32.31 1spy s GLN 50 CO 0.00 -0.14 0.68 0.27 -0.25 0.00 0.00 175.29 175.86 1spy n ASN 51 N 4.28 1.14 -4.81 5.90 0.23 -1.26 -0.00 115.26 120.74 1spy n ASN 51 Ca -0.22 -3.00 -0.31 0.00 -0.53 0.00 0.00 54.58 50.53 1spy n ASN 51 Cb 0.51 -0.62 0.06 0.00 -2.08 0.00 0.00 39.78 37.64 1spy n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1spy s PRO 52 N -2.12 2.78 0.65 -0.53 0.04 -1.26 -5.02 135.00 129.54 1spy s PRO 52 Ca 0.39 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 1spy s PRO 52 Cb 0.27 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 1spy s PRO 52 CO -0.09 -1.23 1.07 0.95 0.04 0.00 0.00 177.00 177.74 1spy s THR 53 N -2.99 3.75 -0.56 1.26 -4.23 -1.26 -4.92 115.64 106.68 1spy s THR 53 Ca 0.59 0.71 0.24 0.00 -1.18 0.00 0.00 61.69 62.05 1spy s THR 53 Cb -0.15 -3.30 0.26 0.00 1.34 0.00 0.00 72.50 70.65 1spy s THR 53 CO 0.55 -0.60 1.73 -0.81 -0.54 0.00 0.00 174.62 174.95 1spy n PRO 54 N -2.59 0.21 0.06 3.99 -0.04 -1.26 -2.80 135.00 132.57 1spy n PRO 54 Ca 0.09 0.36 -0.05 0.00 -0.04 0.00 0.00 63.50 63.86 1spy n PRO 54 Cb 0.53 -1.85 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.00 0.00 0.54 5.08 -2.01 -3.23 114.58 114.96 1spy h GLU 55 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1spy h GLU 55 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1spy h GLU 55 CO 0.00 0.75 -0.89 0.93 -1.00 0.00 0.00 179.01 178.80 1spy h GLU 56 N 0.00 0.00 0.31 2.33 5.08 -1.91 -3.33 114.58 117.06 1spy h GLU 56 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1spy h GLU 56 Cb 1.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.98 1spy h GLU 56 CO 0.10 0.17 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.07 1spy h LEU 57 N 0.00 -0.35 -1.81 1.33 3.38 -1.60 -2.99 115.31 113.27 1spy h LEU 57 Ca -0.05 -0.07 0.32 0.00 0.09 0.00 0.00 57.88 58.17 1spy h LEU 57 Cb 1.25 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.02 1spy h LEU 57 CO 0.03 0.12 0.79 1.56 0.09 0.00 0.00 178.44 181.02 1spy h GLN 58 N -1.07 0.11 -0.06 1.13 7.50 -1.73 0.70 115.11 121.68 1spy h GLN 58 Ca -0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 1spy h GLN 58 Cb 0.40 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.90 1spy h GLN 58 CO 0.07 0.07 -0.02 0.93 -1.50 0.00 0.00 178.83 178.38 1spy h GLU 59 N 0.11 0.12 -0.70 1.46 4.39 -1.66 -2.97 114.58 115.33 1spy h GLU 59 Ca 0.57 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.19 1spy h GLU 59 Cb 2.03 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.64 1spy h GLU 59 CO -0.10 0.46 0.30 1.98 -1.16 0.00 0.00 179.01 180.50 1spy h MET 60 N -0.22 1.04 0.00 2.33 4.05 -0.75 -1.34 114.93 120.04 1spy h MET 60 Ca 0.02 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1spy h MET 60 Cb 0.42 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1spy h MET 60 CO 0.01 0.84 0.00 -0.89 0.23 0.00 0.00 176.91 177.10 1spy n ILE 61 N -4.39 1.50 0.35 1.77 5.41 -0.58 -3.03 119.36 120.38 1spy n ILE 61 Ca 0.06 0.52 -0.14 0.00 1.00 0.00 0.00 62.75 64.18 1spy n ILE 61 Cb 0.16 -1.48 -0.07 0.00 -0.71 0.00 0.00 39.64 37.54 1spy n ILE 61 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1spy h ASP 62 N 0.00 -0.77 0.68 4.38 3.58 -1.07 0.47 116.42 123.69 1spy h ASP 62 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1spy h ASP 62 Cb 0.06 0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1spy h ASP 62 CO 0.00 -0.51 0.00 -1.84 -2.88 0.00 0.00 179.24 174.01 1spy n GLU 63 N -4.66 0.10 -0.03 0.28 0.28 -1.17 -3.13 120.64 112.32 1spy n GLU 63 Ca -0.11 0.32 -0.21 0.00 -0.16 0.00 0.00 57.16 57.00 1spy n GLU 63 Cb 0.36 -1.69 -0.13 0.00 1.43 0.00 0.00 31.44 31.41 1spy n GLU 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1spy h VAL 64 N 0.00 0.98 -0.48 3.84 2.07 -1.42 -3.37 116.25 117.86 1spy h VAL 64 Ca 0.00 -2.32 -0.64 0.00 0.82 0.00 0.00 66.70 64.56 1spy h VAL 64 Cb 0.34 2.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 1spy h VAL 64 CO 0.00 0.61 2.74 0.47 0.02 0.00 0.00 177.57 181.41 1spy n ASP 65 N -4.05 8.06 0.12 0.57 8.00 0.16 -4.62 116.55 124.78 1spy n ASP 65 Ca -0.27 -2.81 0.09 0.00 0.71 0.00 0.00 54.79 52.51 1spy n ASP 65 Cb 0.83 -1.45 0.44 0.00 -0.02 0.00 0.00 41.12 40.91 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 2.64 0.11 0.04 -1.24 1.02 -1.26 -1.72 120.64 120.23 1spy n GLU 66 Ca 0.68 0.56 -0.16 0.00 -0.02 0.00 0.00 57.16 58.21 1spy n GLU 66 Cb 0.32 -1.83 -0.14 0.00 -0.02 0.00 0.00 31.44 29.77 1spy n GLU 66 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1spy h ASP 67 N 0.00 0.33 -0.76 1.62 2.03 -1.93 -3.49 116.42 114.22 1spy h ASP 67 Ca 0.00 -0.54 0.00 0.00 -0.73 0.00 0.00 57.03 55.76 1spy h ASP 67 Cb 0.07 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 1spy h ASP 67 CO 0.00 1.46 0.00 0.61 -1.03 0.00 0.00 179.24 180.28 1spy n GLY 68 N 1.72 0.69 0.00 7.15 0.00 -0.70 -5.02 105.19 109.03 1spy n GLY 68 Ca -0.20 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.38 1.10 -3.57 1.61 2.88 -1.26 -5.01 113.62 108.99 1spy n SER 69 Ca 0.00 -0.30 -0.26 0.00 -1.33 0.00 0.00 58.87 56.99 1spy n SER 69 Cb 0.15 0.81 0.05 0.00 -0.75 0.00 0.00 64.21 64.47 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 1.14 -0.52 3.16 0.46 0.00 -1.26 -4.97 105.19 103.19 1spy n GLY 70 Ca 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.26 -0.02 0.24 2.61 -4.23 -1.26 -2.33 115.64 107.40 1spy s THR 71 Ca 0.55 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1spy s THR 71 Cb -0.26 -0.44 0.02 0.00 1.34 0.00 0.00 72.50 73.17 1spy s THR 71 CO 0.67 0.02 0.20 1.33 -0.54 0.00 0.00 174.62 176.30 1spy n VAL 72 N 3.53 0.00 -3.22 2.29 0.24 -0.32 -4.90 118.33 115.95 1spy n VAL 72 Ca -0.18 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 1spy n VAL 72 Cb 0.56 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 1spy n VAL 72 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1spy n ASP 73 N -2.01 0.00 0.24 -1.34 -0.08 -1.26 -2.29 116.55 109.82 1spy n ASP 73 Ca -0.00 -0.69 0.12 0.00 -1.51 0.00 0.00 54.79 52.71 1spy n ASP 73 Cb 0.27 0.00 0.59 0.00 2.34 0.00 0.00 41.12 44.33 1spy n ASP 73 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1spy h PHE 74 N 0.69 0.00 0.13 -0.67 3.57 -1.99 0.26 116.94 118.92 1spy h PHE 74 Ca 0.00 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.25 1spy h PHE 74 Cb 0.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.75 1spy h PHE 74 CO 0.00 0.17 -1.20 -0.44 -2.23 0.00 0.00 178.31 174.61 1spy h ASP 75 N 0.00 0.43 0.00 0.41 5.19 -1.97 -3.13 116.42 117.35 1spy h ASP 75 Ca -0.00 -0.89 -0.07 0.00 -0.62 0.00 0.00 57.03 55.45 1spy h ASP 75 Cb 0.56 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.93 1spy h ASP 75 CO 0.02 1.54 -0.26 -0.33 -3.12 0.00 0.00 179.24 177.09 1spy h GLU 76 N -0.31 0.17 0.15 3.56 4.39 -1.92 -3.20 114.58 117.41 1spy h GLU 76 Ca -0.24 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.28 1spy h GLU 76 Cb 1.73 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.41 1spy h GLU 76 CO 0.10 0.94 -0.21 0.35 -1.16 0.00 0.00 179.01 179.03 1spy h PHE 77 N -0.52 -0.55 -0.66 4.33 3.57 -1.13 -1.55 116.94 120.43 1spy h PHE 77 Ca -0.03 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.60 1spy h PHE 77 Cb 1.03 0.22 -0.12 0.00 2.79 0.00 0.00 35.95 39.87 1spy h PHE 77 CO 0.19 -0.30 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.63 1spy h LEU 78 N -0.41 -0.92 0.04 0.59 3.38 -1.66 -0.74 115.31 115.59 1spy h LEU 78 Ca 0.02 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1spy h LEU 78 Cb 0.42 0.51 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1spy h LEU 78 CO -0.09 -0.27 -0.04 0.58 0.09 0.00 0.00 178.44 178.71 1spy h VAL 79 N -0.08 0.91 0.00 1.22 2.07 -1.46 -1.12 116.25 117.79 1spy h VAL 79 Ca 0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1spy h VAL 79 Cb 0.54 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1spy h VAL 79 CO -0.71 0.00 0.20 0.24 0.02 0.00 0.00 177.57 177.32 1spy h MET 80 N -0.09 0.00 0.03 1.57 2.86 -0.15 -2.73 114.93 116.42 1spy h MET 80 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1spy h MET 80 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1spy h MET 80 CO -0.01 0.00 -0.01 0.52 1.06 0.00 0.00 176.91 178.46 1spy h MET 81 N 0.00 -0.04 -0.10 1.72 2.07 -0.23 -3.30 114.93 115.05 1spy h MET 81 Ca 0.00 0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.66 1spy h MET 81 Cb 0.40 0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1spy h MET 81 CO 0.00 -0.03 0.45 -0.39 1.07 0.00 0.00 176.91 178.02 1spy h VAL 82 N -0.68 0.07 -0.55 -2.22 -1.51 -1.38 -0.24 116.25 109.74 1spy h VAL 82 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1spy h VAL 82 Cb 0.03 0.57 -0.03 0.00 -2.13 0.00 0.00 31.29 29.74 1spy h VAL 82 CO 0.01 0.00 0.31 -0.09 -1.23 0.00 0.00 177.57 176.57 1spy h ARG 83 N 0.00 0.76 0.00 5.19 2.43 -1.57 -3.39 114.38 117.79 1spy h ARG 83 Ca 0.05 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1spy h ARG 83 Cb 0.95 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1spy h ARG 83 CO -0.00 0.57 0.00 0.00 -1.51 0.00 0.00 179.97 179.03 1spy n MET 85 N -0.89 -5.45 -3.12 0.00 2.81 -1.14 -0.94 117.12 108.39 1spy n MET 85 Ca 0.00 0.65 -0.21 0.00 -1.81 0.00 0.00 57.70 56.32 1spy n MET 85 Cb 0.00 -5.37 0.01 0.00 -0.71 0.00 0.00 33.22 27.14 1spy n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1spy n LYS 86 N -4.44 -3.68 0.00 0.03 0.00 -1.26 -4.69 118.16 104.12 1spy n LYS 86 Ca -0.17 0.63 0.00 0.00 0.00 0.00 0.00 58.31 58.77 1spy n LYS 86 Cb 0.62 -5.37 0.00 0.00 0.00 0.00 0.00 35.03 30.28 1spy n LYS 86 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1spy n ASP 87 N -2.29 0.00 -0.89 3.14 5.68 -0.12 -4.70 116.55 117.37 1spy n ASP 87 Ca -0.07 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.18 1spy n ASP 87 Cb 0.58 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.51 1spy n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1spy n ASP 88 N -3.89 -0.68 -0.75 -1.12 -0.08 -1.26 -5.10 116.55 103.68 1spy n ASP 88 Ca 0.00 -1.76 0.13 0.00 -1.51 0.00 0.00 54.79 51.65 1spy n ASP 88 Cb 0.00 0.20 0.29 0.00 2.34 0.00 0.00 41.12 43.95 1spy n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08