#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 -2.77 6.12 9.92 -1.26 -5.17 116.55 123.39 1spy n ASP 2 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 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 -0.67 0.13 0.00 0.00 177.20 176.66 1spy n ASP 3 N -0.39 -1.65 0.19 -2.24 -0.08 -1.26 -4.99 116.55 106.13 1spy n ASP 3 Ca 0.00 -2.64 0.18 0.00 -1.51 0.00 0.00 54.79 50.82 1spy n ASP 3 Cb 0.00 2.89 0.72 0.00 2.34 0.00 0.00 41.12 47.07 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 1.93 0.18 -0.99 5.18 3.07 -2.02 0.14 117.51 125.00 1spy h ILE 4 Ca -0.28 0.00 0.11 0.00 1.55 0.00 0.00 64.86 66.24 1spy h ILE 4 Cb 1.12 0.59 -0.08 0.00 -0.27 0.00 0.00 36.82 38.18 1spy h ILE 4 CO 0.37 0.00 0.63 1.88 -1.05 0.00 0.00 178.15 179.97 1spy h TYR 5 N 0.00 1.12 -0.78 0.16 0.05 -1.95 -1.36 116.97 114.21 1spy h TYR 5 Ca 0.12 0.03 0.16 0.00 0.05 0.00 0.00 58.73 59.09 1spy h TYR 5 Cb 1.05 -0.36 -0.10 0.00 1.01 0.00 0.00 36.73 38.33 1spy h TYR 5 CO 0.00 0.47 0.30 -0.22 -1.05 0.00 0.00 178.16 177.66 1spy h LYS 6 N 1.00 0.40 -0.10 4.88 3.11 -1.36 0.32 116.57 124.82 1spy h LYS 6 Ca 0.48 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 58.24 1spy h LYS 6 Cb 0.44 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 1spy h LYS 6 CO -0.24 0.27 -0.17 0.00 -2.81 0.00 0.00 179.45 176.50 1spy h ALA 7 N 1.59 1.53 -0.57 5.00 0.00 -1.42 -2.76 119.26 122.62 1spy h ALA 7 Ca 0.44 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1spy h ALA 7 Cb 0.72 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1spy h ALA 7 CO -0.44 0.34 0.26 0.00 0.00 0.00 0.00 179.25 179.41 1spy h ALA 8 N 1.68 0.74 -0.18 0.00 0.00 -0.23 0.20 119.26 121.47 1spy h ALA 8 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1spy h ALA 8 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1spy h ALA 8 CO 0.03 -0.11 -0.07 0.28 0.00 0.00 0.00 179.25 179.38 1spy h VAL 9 N 0.49 1.16 0.00 0.00 2.07 -1.36 -2.25 116.25 116.36 1spy h VAL 9 Ca 0.27 -0.67 -0.19 0.00 0.82 0.00 0.00 66.70 66.93 1spy h VAL 9 Cb 0.24 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1spy h VAL 9 CO -0.22 0.22 -0.88 -0.33 0.02 0.00 0.00 177.57 176.37 1spy h GLU 10 N 0.27 0.00 0.00 1.57 4.39 -1.07 -3.15 114.58 116.59 1spy h GLU 10 Ca 0.06 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1spy h GLU 10 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1spy h GLU 10 CO 0.01 0.88 -0.23 1.96 -1.16 0.00 0.00 179.01 180.48 1spy h GLN 11 N 0.00 0.00 -7.30 2.33 4.20 -0.09 -3.44 115.11 110.81 1spy h GLN 11 Ca -0.01 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.26 1spy h GLN 11 Cb 1.56 0.00 0.18 0.00 0.30 0.00 0.00 27.48 29.52 1spy h GLN 11 CO 0.11 0.23 0.12 -0.51 -0.67 0.00 0.00 178.83 178.12 1spy s LEU 12 N -7.11 1.08 0.26 1.46 1.43 -1.07 -5.07 118.68 109.67 1spy s LEU 12 Ca -0.01 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 1spy s LEU 12 Cb 0.12 -3.13 -0.06 0.00 0.03 0.00 0.00 46.19 43.16 1spy s LEU 12 CO 0.64 -3.69 0.02 0.42 0.23 0.00 0.00 176.35 173.96 1spy s THR 13 N -2.83 1.06 0.47 5.49 -4.23 -1.26 -5.02 115.64 109.33 1spy s THR 13 Ca 0.67 -2.03 0.13 0.00 -1.18 0.00 0.00 61.69 59.28 1spy s THR 13 Cb -0.19 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.43 1spy s THR 13 CO 0.59 -0.21 2.11 -0.08 -0.54 0.00 0.00 174.62 176.49 1spy h GLU 14 N 2.36 0.22 -0.07 3.99 4.81 -1.99 -0.77 114.58 123.13 1spy h GLU 14 Ca -0.39 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.73 1spy h GLU 14 Cb 1.23 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1spy h GLU 14 CO 0.65 0.15 -0.38 1.49 -0.73 0.00 0.00 179.01 180.20 1spy h GLU 15 N 0.23 0.15 0.03 1.92 4.81 -2.00 -2.63 114.58 117.09 1spy h GLU 15 Ca 0.07 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1spy h GLU 15 Cb 0.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1spy h GLU 15 CO -0.02 0.51 -0.59 1.96 -0.73 0.00 0.00 179.01 180.15 1spy h GLN 16 N 0.13 0.06 -0.78 1.92 4.20 -1.63 -3.16 115.11 115.85 1spy h GLN 16 Ca 0.01 -0.10 0.15 0.00 0.06 0.00 0.00 58.65 58.77 1spy h GLN 16 Cb 0.73 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.45 1spy h GLN 16 CO 0.05 1.05 0.32 0.87 -0.67 0.00 0.00 178.83 180.45 1spy h LYS 17 N -0.85 0.43 -0.11 1.46 6.56 -1.22 0.32 116.57 123.15 1spy h LYS 17 Ca -0.14 -0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.37 1spy h LYS 17 Cb 1.24 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.79 1spy h LYS 17 CO -0.03 0.28 -0.18 -0.97 -2.06 0.00 0.00 179.45 176.49 1spy h ASN 18 N 0.44 0.17 -0.37 0.86 -1.24 -1.59 0.12 115.58 113.97 1spy h ASN 18 Ca 0.44 -0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.30 1spy h ASN 18 Cb 0.70 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.69 1spy h ASN 18 CO -0.43 0.36 -0.21 -0.08 -1.29 0.00 0.00 177.43 175.79 1spy h GLU 19 N 0.17 0.79 0.05 6.67 4.81 -0.36 -3.16 114.58 123.55 1spy h GLU 19 Ca 0.03 -0.36 -0.24 0.00 -0.13 0.00 0.00 59.36 58.66 1spy h GLU 19 Cb 0.42 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1spy h GLU 19 CO 0.03 0.99 -1.05 0.74 -0.73 0.00 0.00 179.01 178.98 1spy h PHE 20 N 0.58 0.44 -0.67 0.92 0.04 -0.99 -3.06 116.94 114.19 1spy h PHE 20 Ca 0.08 -0.28 0.14 0.00 2.80 0.00 0.00 57.97 60.71 1spy h PHE 20 Cb 0.77 -0.03 -0.11 0.00 2.20 0.00 0.00 35.95 38.78 1spy h PHE 20 CO 0.06 1.15 0.09 -0.22 -0.60 0.00 0.00 178.31 178.78 1spy h LYS 21 N 0.12 0.18 -0.16 1.51 3.64 -0.73 1.03 116.57 122.17 1spy h LYS 21 Ca -0.09 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1spy h LYS 21 Cb 1.73 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 1spy h LYS 21 CO 0.17 0.12 -0.45 0.00 -2.27 0.00 0.00 179.45 177.02 1spy h ALA 22 N 1.59 0.27 0.00 5.00 0.00 -1.61 -2.16 119.26 122.35 1spy h ALA 22 Ca 0.37 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1spy h ALA 22 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1spy h ALA 22 CO -0.52 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1spy n ALA 23 N -2.53 2.18 -0.12 0.00 0.00 -0.49 -3.33 120.51 116.21 1spy n ALA 23 Ca -0.07 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 1spy n ALA 23 Cb 0.57 -1.36 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.22 0.11 0.19 0.00 -0.00 0.35 -4.23 117.46 112.65 1spy n PHE 24 Ca 0.12 0.03 0.04 0.00 -0.00 0.00 0.00 57.45 57.63 1spy n PHE 24 Cb 0.15 -1.01 0.16 0.00 -0.00 0.00 0.00 39.48 38.78 1spy n PHE 24 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1spy n ASP 25 N -3.56 0.07 0.00 -2.13 9.92 -0.83 -1.72 116.55 118.30 1spy n ASP 25 Ca -0.47 0.53 0.11 0.00 -0.53 0.00 0.00 54.79 54.42 1spy n ASP 25 Cb 0.96 -0.54 0.58 0.00 -0.64 0.00 0.00 41.12 41.48 1spy n ASP 25 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1spy n ILE 26 N -1.59 0.23 -2.71 0.53 5.41 -1.23 -3.43 119.36 116.57 1spy n ILE 26 Ca 0.01 0.06 -0.00 0.00 1.00 0.00 0.00 62.75 63.82 1spy n ILE 26 Cb 0.07 -0.70 0.05 0.00 -0.71 0.00 0.00 39.64 38.35 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 -1.20 0.39 -1.22 1.39 3.72 -0.70 -4.88 117.46 114.96 1spy n PHE 27 Ca 0.12 -1.71 -0.02 0.00 -0.05 0.00 0.00 57.45 55.79 1spy n PHE 27 Cb 0.14 0.14 0.23 0.00 -0.94 0.00 0.00 39.48 39.06 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 -0.56 2.59 -1.50 -4.37 0.31 -1.22 -3.71 118.33 109.86 1spy n VAL 28 Ca 0.01 -2.23 -0.43 0.00 -0.01 0.00 0.00 64.34 61.68 1spy n VAL 28 Cb 0.87 -0.32 -0.07 0.00 -0.91 0.00 0.00 33.84 33.40 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 -0.79 1.80 0.00 7.52 -0.00 -1.26 -4.44 117.00 119.82 1spy n LEU 29 Ca 0.33 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.36 1spy n LEU 29 Cb 1.10 -1.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 1spy n LEU 29 CO 0.25 -1.03 0.00 0.61 -0.00 0.00 0.00 177.39 177.23 1spy n GLY 30 N 6.32 1.39 3.09 1.47 0.00 -1.26 -4.89 105.19 111.31 1spy n GLY 30 Ca 0.45 0.43 -0.18 0.00 0.00 0.00 0.00 46.02 46.72 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 9.82 -2.75 -0.26 4.61 0.00 -1.26 -3.33 120.51 127.34 1spy n ALA 31 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.24 1spy n ALA 31 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.49 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 -0.13 0.00 0.00 0.00 1.02 -1.26 -3.37 120.64 116.89 1spy n GLU 32 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1spy n GLU 32 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1spy n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1spy n ASP 33 N 0.82 0.00 -0.09 1.62 8.00 -1.21 -4.99 116.55 120.70 1spy n ASP 33 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1spy n ASP 33 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1spy n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1spy n GLY 34 N 0.00 1.15 3.16 0.44 0.00 -1.22 -5.10 105.19 103.61 1spy n GLY 34 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.92 1.80 0.06 0.00 -4.36 -0.77 -4.15 121.20 109.87 1spy s ILE 36 Ca 0.21 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.45 1spy s ILE 36 Cb 0.07 -2.81 -0.06 0.00 1.25 0.00 0.00 42.46 40.91 1spy s ILE 36 CO 0.00 0.00 0.48 -0.44 0.24 0.00 0.00 174.94 175.23 1spy s SER 37 N -3.74 6.87 0.30 4.36 0.01 -1.26 -1.91 113.70 118.33 1spy s SER 37 Ca 0.29 1.06 0.04 0.00 1.31 0.00 0.00 55.95 58.65 1spy s SER 37 Cb 0.08 -2.28 0.76 0.00 0.21 0.00 0.00 66.02 64.79 1spy s SER 37 CO 0.15 0.25 1.67 0.71 0.41 0.00 0.00 173.24 176.43 1spy h THR 38 N 3.40 0.39 -0.43 1.44 1.35 -1.43 0.84 112.91 118.47 1spy h THR 38 Ca -0.50 -0.11 0.08 0.00 -0.55 0.00 0.00 66.41 65.33 1spy h THR 38 Cb 1.21 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 1spy h THR 38 CO 0.63 0.06 0.29 0.11 -0.25 0.00 0.00 175.52 176.36 1spy h LYS 39 N 0.31 0.23 0.19 4.72 1.79 -1.93 -2.26 116.57 119.62 1spy h LYS 39 Ca 0.58 -0.01 -0.29 0.00 -2.18 0.00 0.00 60.65 58.74 1spy h LYS 39 Cb 1.15 -0.05 0.02 0.00 -1.58 0.00 0.00 32.23 31.78 1spy h LYS 39 CO -0.59 0.15 -1.32 0.93 -1.08 0.00 0.00 179.45 177.54 1spy h GLU 40 N 0.23 0.41 -1.06 3.15 5.08 0.27 -3.30 114.58 119.36 1spy h GLU 40 Ca 0.20 -0.70 0.28 0.00 -1.00 0.00 0.00 59.36 58.13 1spy h GLU 40 Cb 0.47 0.26 -0.10 0.00 0.50 0.00 0.00 28.75 29.88 1spy h GLU 40 CO -0.04 1.34 0.67 1.25 -1.00 0.00 0.00 179.01 181.23 1spy h LEU 41 N -0.07 0.47 0.58 1.33 6.46 -0.58 -0.68 115.31 122.82 1spy h LEU 41 Ca -0.24 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1spy h LEU 41 Cb 1.95 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.90 1spy h LEU 41 CO 0.20 0.06 -0.49 1.23 -0.62 0.00 0.00 178.44 178.81 1spy h GLY 42 N 0.39 -1.24 1.24 3.75 0.00 -1.60 0.39 103.07 106.00 1spy h GLY 42 Ca 0.63 0.56 0.11 0.00 0.00 0.00 0.00 47.33 48.63 1spy h GLY 42 CO -0.35 -0.39 0.28 0.50 0.00 0.00 0.00 176.54 176.58 1spy h LYS 43 N -1.05 0.00 -0.18 4.80 1.79 -1.31 -1.16 116.57 119.46 1spy h LYS 43 Ca -0.07 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 1spy h LYS 43 Cb 0.89 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1spy h LYS 43 CO -0.01 0.00 -0.08 0.28 -1.08 0.00 0.00 179.45 178.56 1spy h VAL 44 N 0.00 1.31 0.00 0.50 2.07 -0.20 -2.51 116.25 117.42 1spy h VAL 44 Ca 0.17 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 1spy h VAL 44 Cb 0.73 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1spy h VAL 44 CO -0.00 0.34 -0.28 0.24 0.02 0.00 0.00 177.57 177.89 1spy h MET 45 N 0.05 0.00 0.00 1.57 2.86 0.18 -2.45 114.93 117.15 1spy h MET 45 Ca 0.04 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1spy h MET 45 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1spy h MET 45 CO 0.03 0.28 -0.28 0.00 1.06 0.00 0.00 176.91 177.99 1spy h ARG 46 N 0.00 0.00 0.00 1.72 2.47 -1.04 -2.24 114.38 115.29 1spy h ARG 46 Ca -0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 1spy h ARG 46 Cb 0.60 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1spy h ARG 46 CO 0.04 0.28 -0.30 0.52 0.56 0.00 0.00 179.97 181.06 1spy h MET 47 N 0.00 0.00 0.04 0.04 2.86 -0.99 -3.27 114.93 113.61 1spy h MET 47 Ca -0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 1spy h MET 47 Cb 0.98 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 1spy h MET 47 CO 0.04 0.30 -1.68 -0.07 1.06 0.00 0.00 176.91 176.56 1spy h LEU 48 N 0.00 0.13 0.00 1.22 3.38 -1.48 -3.49 115.31 115.08 1spy h LEU 48 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1spy h LEU 48 Cb 1.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1spy h LEU 48 CO 0.04 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.40 1spy n GLY 49 N 1.64 2.51 3.68 0.83 0.00 -1.01 -5.12 105.19 107.71 1spy n GLY 49 Ca -0.18 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 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 2.15 -3.17 1.61 1.13 -0.87 -4.85 117.38 113.37 1spy n GLN 50 Ca 0.00 0.77 -0.25 0.00 -1.94 0.00 0.00 57.00 55.57 1spy n GLN 50 Cb 0.00 -2.48 -0.06 0.00 0.11 0.00 0.00 30.24 27.81 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 2.68 3.23 -4.80 1.08 3.02 -1.26 -2.59 115.26 116.62 1spy n ASN 51 Ca 0.13 -3.39 -0.33 0.00 -0.03 0.00 0.00 54.58 50.96 1spy n ASN 51 Cb 0.31 -0.62 0.01 0.00 -0.61 0.00 0.00 39.78 38.87 1spy n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1spy s PRO 52 N -2.71 3.30 0.63 3.52 0.04 -1.26 -5.04 135.00 133.48 1spy s PRO 52 Ca 0.43 1.22 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 1spy s PRO 52 Cb 0.23 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.74 1spy s PRO 52 CO -0.08 -0.83 1.00 0.99 0.04 0.00 0.00 177.00 178.12 1spy s THR 53 N -2.43 3.94 -0.06 1.26 2.01 -1.26 -4.93 115.64 114.17 1spy s THR 53 Ca 0.64 0.40 -0.22 0.00 0.31 0.00 0.00 61.69 62.82 1spy s THR 53 Cb -0.16 -3.60 -0.17 0.00 0.01 0.00 0.00 72.50 68.58 1spy s THR 53 CO 0.37 -0.72 0.87 1.55 -0.69 0.00 0.00 174.62 176.00 1spy h PRO 54 N -0.36 -0.16 0.00 4.92 0.13 -1.99 -1.31 132.00 133.23 1spy h PRO 54 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1spy h PRO 54 Cb 1.24 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1spy h PRO 54 CO 0.62 0.32 0.00 1.49 -0.23 0.00 0.00 178.00 180.21 1spy h GLU 55 N -0.84 0.00 0.11 0.86 4.81 -2.01 -2.50 114.58 115.01 1spy h GLU 55 Ca -0.02 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.87 1spy h GLU 55 Cb 0.55 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1spy h GLU 55 CO 0.03 0.00 -1.89 0.39 -0.73 0.00 0.00 179.01 176.81 1spy n GLU 56 N -2.80 0.73 0.26 1.92 1.02 -1.20 -3.98 120.64 116.60 1spy n GLU 56 Ca -0.02 0.31 -0.13 0.00 -0.02 0.00 0.00 57.16 57.30 1spy n GLU 56 Cb 0.09 -1.72 -0.06 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 -0.08 -0.84 -1.68 -4.62 3.38 -0.78 -1.59 115.31 109.09 1spy h LEU 57 Ca -0.41 0.05 0.32 0.00 0.09 0.00 0.00 57.88 57.93 1spy h LEU 57 Cb 1.93 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.89 1spy h LEU 57 CO 0.05 -0.48 0.98 -0.61 0.09 0.00 0.00 178.44 178.47 1spy h GLN 58 N -0.76 0.00 -0.48 1.13 5.75 -1.74 0.57 115.11 119.58 1spy h GLN 58 Ca -0.06 0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.58 1spy h GLN 58 Cb 0.62 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 1spy h GLN 58 CO 0.04 0.00 0.35 1.49 -2.65 0.00 0.00 178.83 178.07 1spy h GLU 59 N 0.00 0.00 0.00 1.69 4.57 -1.41 -1.75 114.58 117.68 1spy h GLU 59 Ca 0.52 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.59 1spy h GLU 59 Cb 2.49 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 31.06 1spy h GLU 59 CO -0.01 0.00 -1.07 -1.33 -1.18 0.00 0.00 179.01 175.42 1spy n MET 60 N -4.34 0.51 -0.30 1.92 2.81 0.20 -4.42 117.12 113.51 1spy n MET 60 Ca 0.09 0.41 -0.00 0.00 -1.81 0.00 0.00 57.70 56.39 1spy n MET 60 Cb 0.56 -1.60 0.06 0.00 -0.71 0.00 0.00 33.22 31.53 1spy n MET 60 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1spy h ILE 61 N -1.00 0.11 -1.41 2.02 2.04 -1.46 1.14 117.51 118.95 1spy h ILE 61 Ca -0.16 0.00 0.41 0.00 1.00 0.00 0.00 64.86 66.10 1spy h ILE 61 Cb 0.95 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1spy h ILE 61 CO -0.10 0.00 1.19 -0.78 0.00 0.00 0.00 178.15 178.46 1spy h ASP 62 N -0.05 0.00 0.00 1.72 1.82 -1.53 1.09 116.42 119.47 1spy h ASP 62 Ca 0.34 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.85 1spy h ASP 62 Cb 0.60 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.58 1spy h ASP 62 CO -0.85 0.00 -2.03 -0.62 -1.61 0.00 0.00 179.24 174.12 1spy n GLU 63 N -3.72 0.78 -0.04 0.28 -0.58 0.37 -4.08 120.64 113.66 1spy n GLU 63 Ca 0.31 -0.11 -0.20 0.00 -0.42 0.00 0.00 57.16 56.74 1spy n GLU 63 Cb 1.62 -1.46 -0.13 0.00 -0.57 0.00 0.00 31.44 30.90 1spy n GLU 63 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1spy h VAL 64 N 0.00 1.16 -1.20 2.62 2.07 0.30 -3.36 116.25 117.84 1spy h VAL 64 Ca -0.20 -2.33 -0.63 0.00 0.82 0.00 0.00 66.70 64.36 1spy h VAL 64 Cb 1.39 2.71 -0.25 0.00 -1.52 0.00 0.00 31.29 33.62 1spy h VAL 64 CO 0.01 0.57 0.82 0.47 0.02 0.00 0.00 177.57 179.46 1spy n ASP 65 N -4.21 7.37 0.00 0.57 9.92 0.22 -4.53 116.55 125.90 1spy n ASP 65 Ca -0.24 -3.64 0.15 0.00 -0.53 0.00 0.00 54.79 50.53 1spy n ASP 65 Cb 0.75 -1.04 0.86 0.00 -0.64 0.00 0.00 41.12 41.05 1spy n ASP 65 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1spy n GLU 66 N -0.46 0.82 -0.04 -1.24 2.13 -1.26 -3.19 120.64 117.40 1spy n GLU 66 Ca 0.54 0.00 0.01 0.00 0.66 0.00 0.00 57.16 58.38 1spy n GLU 66 Cb 0.52 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.75 1spy n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1spy n ASP 67 N -1.07 1.18 0.00 4.31 8.00 -1.26 -4.96 116.55 122.75 1spy n ASP 67 Ca 0.21 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.96 1spy n ASP 67 Cb 0.13 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.37 0.59 0.00 0.44 0.00 -1.19 -5.09 105.19 99.56 1spy n GLY 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1spy n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1spy n SER 69 N 0.00 0.00 -1.53 1.61 7.64 -1.25 -4.93 113.62 115.16 1spy n SER 69 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1spy n SER 69 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1spy n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1spy n GLY 70 N 0.00 0.13 3.18 0.23 0.00 -1.26 -4.95 105.19 102.53 1spy n GLY 70 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.68 1.77 -0.04 2.61 -4.23 -1.26 -0.99 115.64 110.81 1spy s THR 71 Ca 0.00 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1spy s THR 71 Cb 0.00 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.28 1spy s THR 71 CO 0.00 0.50 -0.07 0.68 -0.54 0.00 0.00 174.62 175.19 1spy s VAL 72 N 0.21 3.71 0.00 2.29 -7.23 -0.80 -4.91 120.40 113.67 1spy s VAL 72 Ca -0.11 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1spy s VAL 72 Cb -0.15 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1spy s VAL 72 CO 0.05 0.53 0.00 -0.67 -0.31 0.00 0.00 175.10 174.70 1spy n ASP 73 N 1.99 0.94 0.24 4.85 -0.08 -1.26 -1.84 116.55 121.38 1spy n ASP 73 Ca -0.17 -0.97 0.16 0.00 -1.51 0.00 0.00 54.79 52.31 1spy n ASP 73 Cb 0.53 0.00 0.79 0.00 2.34 0.00 0.00 41.12 44.78 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 0.45 0.00 0.15 -0.67 3.57 -2.00 -0.86 116.94 117.59 1spy h PHE 74 Ca 0.00 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.15 1spy h PHE 74 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1spy h PHE 74 CO 0.00 0.00 -1.80 0.22 -2.23 0.00 0.00 178.31 174.50 1spy h ASP 75 N 0.00 0.50 0.04 0.41 1.82 -1.97 -3.29 116.42 113.93 1spy h ASP 75 Ca 0.00 -0.85 -0.00 0.00 -0.39 0.00 0.00 57.03 55.79 1spy h ASP 75 Cb 0.19 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1spy h ASP 75 CO 0.00 1.73 -0.02 -0.33 -1.61 0.00 0.00 179.24 179.01 1spy h GLU 76 N 0.09 -0.05 -0.16 0.28 5.08 -1.80 -3.09 114.58 114.92 1spy h GLU 76 Ca -0.36 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1spy h GLU 76 Cb 2.07 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 31.27 1spy h GLU 76 CO 0.14 0.61 -0.45 0.35 -1.00 0.00 0.00 179.01 178.67 1spy h PHE 77 N -0.88 -1.34 -0.70 4.33 3.57 -1.37 -0.09 116.94 120.46 1spy h PHE 77 Ca -0.01 0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.69 1spy h PHE 77 Cb 0.68 0.60 -0.13 0.00 2.79 0.00 0.00 35.95 39.90 1spy h PHE 77 CO 0.17 -0.43 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.63 1spy h LEU 78 N -0.44 -0.54 -1.39 0.59 3.38 -1.71 0.60 115.31 115.80 1spy h LEU 78 Ca 0.03 0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1spy h LEU 78 Cb 0.54 0.39 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1spy h LEU 78 CO -0.39 -0.21 0.49 0.58 0.09 0.00 0.00 178.44 179.00 1spy h VAL 79 N 0.03 0.97 -0.02 1.22 2.07 -1.14 -0.76 116.25 118.62 1spy h VAL 79 Ca 0.35 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 67.44 1spy h VAL 79 Cb 0.56 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1spy h VAL 79 CO -0.68 0.13 -0.79 0.24 0.02 0.00 0.00 177.57 176.48 1spy h MET 80 N 0.70 0.22 0.62 1.57 2.86 0.18 -3.16 114.93 117.94 1spy h MET 80 Ca 0.34 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1spy h MET 80 Cb 0.38 0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.10 1spy h MET 80 CO -0.12 0.90 -0.30 0.52 1.06 0.00 0.00 176.91 178.98 1spy h MET 81 N 0.14 -0.81 -0.34 1.72 2.07 0.69 -2.40 114.93 115.99 1spy h MET 81 Ca -0.03 0.06 0.10 0.00 -2.07 0.00 0.00 59.70 57.75 1spy h MET 81 Cb 1.38 0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 31.28 1spy h MET 81 CO 0.12 -0.54 0.60 -0.39 1.07 0.00 0.00 176.91 177.77 1spy h VAL 82 N -1.08 0.16 0.26 -2.22 -1.51 -1.49 -1.75 116.25 108.61 1spy h VAL 82 Ca -0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 1spy h VAL 82 Cb 0.64 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 1spy h VAL 82 CO 0.14 0.00 -0.12 -0.09 -1.23 0.00 0.00 177.57 176.27 1spy h ARG 83 N 0.00 -0.33 -4.21 5.19 2.43 -1.44 -3.41 114.38 112.61 1spy h ARG 83 Ca 0.16 0.02 -0.73 0.00 -0.81 0.00 0.00 59.98 58.62 1spy h ARG 83 Cb 1.35 0.08 -0.29 0.00 -0.42 0.00 0.00 29.97 30.69 1spy h ARG 83 CO -0.00 -0.20 -0.34 0.00 -1.51 0.00 0.00 179.97 177.92 1spy n MET 85 N 4.87 1.01 0.32 0.00 0.00 -1.24 -4.78 117.12 117.29 1spy n MET 85 Ca -0.07 -2.33 0.15 0.00 0.00 0.00 0.00 57.70 55.45 1spy n MET 85 Cb 0.41 -1.21 0.80 0.00 0.00 0.00 0.00 33.22 33.22 1spy n MET 85 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1spy h LYS 86 N 3.00 0.00 -4.99 3.17 3.64 -1.94 -3.46 116.57 115.99 1spy h LYS 86 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1spy h LYS 86 Cb 1.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1spy h LYS 86 CO 0.23 0.00 -1.01 -0.25 -2.27 0.00 0.00 179.45 176.15 1spy n ASP 87 N -2.82 -6.80 -5.00 4.20 9.92 -1.26 -5.03 116.55 109.76 1spy n ASP 87 Ca -0.02 1.35 -0.17 0.00 -0.53 0.00 0.00 54.79 55.42 1spy n ASP 87 Cb 0.35 -5.09 0.01 0.00 -0.64 0.00 0.00 41.12 35.74 1spy n ASP 87 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1spy s ASP 88 N -1.43 5.57 0.00 -2.24 -1.08 -1.26 -5.20 116.67 111.03 1spy s ASP 88 Ca -0.03 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 1spy s ASP 88 Cb 0.00 -0.57 0.00 0.00 -1.46 0.00 0.00 42.92 40.89 1spy s ASP 88 CO 0.74 -0.80 0.15 -0.24 0.52 0.00 0.00 175.17 175.54