#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 3.87 0.31 7.83 1.11 -1.26 -5.04 116.67 123.48 1spy s ASP 2 Ca 0.00 -1.44 0.00 0.00 0.18 0.00 0.00 52.55 51.29 1spy s ASP 2 Cb 0.00 -0.16 0.00 0.00 1.07 0.00 0.00 42.92 43.83 1spy s ASP 2 CO 0.00 -0.56 0.00 -0.67 1.18 0.00 0.00 175.17 175.12 1spy n ASP 3 N -1.03 -7.15 -0.06 0.27 -0.08 -1.26 -4.92 116.55 102.32 1spy n ASP 3 Ca -0.08 0.95 -0.06 0.00 -1.51 0.00 0.00 54.79 54.09 1spy n ASP 3 Cb 0.67 -3.32 -0.10 0.00 2.34 0.00 0.00 41.12 40.71 1spy n ASP 3 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1spy n ILE 4 N -0.10 0.84 0.07 5.18 -5.35 -1.26 -4.44 119.36 114.30 1spy n ILE 4 Ca 0.00 -0.53 0.18 0.00 -0.27 0.00 0.00 62.75 62.13 1spy n ILE 4 Cb 0.00 -0.63 0.72 0.00 -1.74 0.00 0.00 39.64 37.99 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 0.00 -1.24 4.28 0.05 -2.02 -1.47 116.97 116.57 1spy h TYR 5 Ca -0.33 0.00 0.38 0.00 0.05 0.00 0.00 58.73 58.83 1spy h TYR 5 Cb 1.74 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 39.37 1spy h TYR 5 CO 0.00 0.00 0.81 -0.22 -1.05 0.00 0.00 178.16 177.70 1spy h LYS 6 N 0.00 0.17 0.00 4.88 1.63 -1.91 1.78 116.57 123.12 1spy h LYS 6 Ca 0.19 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1spy h LYS 6 Cb 0.82 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1spy h LYS 6 CO -0.00 0.11 -0.17 0.00 -3.45 0.00 0.00 179.45 175.94 1spy h ALA 7 N 1.58 1.09 -0.20 5.00 0.00 -1.58 -3.15 119.26 121.99 1spy h ALA 7 Ca 0.74 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.54 1spy h ALA 7 Cb 2.25 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.95 1spy h ALA 7 CO -0.35 0.22 -0.17 0.00 0.00 0.00 0.00 179.25 178.95 1spy h ALA 8 N 1.83 -0.04 -0.46 0.00 0.00 0.26 0.99 119.26 121.84 1spy h ALA 8 Ca -0.00 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1spy h ALA 8 Cb 0.60 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1spy h ALA 8 CO 0.02 -0.60 -0.08 0.28 0.00 0.00 0.00 179.25 178.87 1spy h VAL 9 N -0.18 1.27 -0.41 0.00 2.07 -1.64 -2.96 116.25 114.39 1spy h VAL 9 Ca 0.12 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.37 1spy h VAL 9 Cb 0.36 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1spy h VAL 9 CO -0.31 0.41 -0.07 -0.33 0.02 0.00 0.00 177.57 177.29 1spy h GLU 10 N 0.71 0.71 0.00 1.57 4.39 -1.38 -2.09 114.58 118.48 1spy h GLU 10 Ca 0.12 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1spy h GLU 10 Cb 0.62 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1spy h GLU 10 CO 0.04 0.77 0.15 1.96 -1.16 0.00 0.00 179.01 180.76 1spy h GLN 11 N 0.65 0.00 0.00 2.33 4.20 0.12 -3.41 115.11 119.00 1spy h GLN 11 Ca 0.12 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1spy h GLN 11 Cb 0.51 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.30 1spy h GLN 11 CO 0.03 0.00 0.04 1.28 -0.67 0.00 0.00 178.83 179.51 1spy n LEU 12 N -2.81 0.00 -4.36 1.46 4.77 -0.79 -5.09 117.00 110.18 1spy n LEU 12 Ca -0.02 -0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 55.53 1spy n LEU 12 Cb 0.20 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1spy n LEU 12 CO 0.15 -0.61 -0.19 0.42 -1.33 0.00 0.00 177.39 175.84 1spy s THR 13 N -1.00 0.34 -0.01 -5.08 -4.23 -1.26 -5.02 115.64 99.38 1spy s THR 13 Ca 0.10 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.92 1spy s THR 13 Cb -0.00 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 71.71 1spy s THR 13 CO 0.07 0.00 1.94 1.05 -0.54 0.00 0.00 174.62 177.13 1spy h GLU 14 N 2.13 0.00 0.03 3.99 4.11 -1.97 0.48 114.58 123.34 1spy h GLU 14 Ca -0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.10 1spy h GLU 14 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1spy h GLU 14 CO 0.51 0.00 -0.01 1.49 0.07 0.00 0.00 179.01 181.07 1spy h GLU 15 N 0.00 -0.04 0.00 1.06 4.22 -2.01 -2.92 114.58 114.90 1spy h GLU 15 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 1spy h GLU 15 Cb 0.43 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1spy h GLU 15 CO 0.00 0.43 -0.85 -0.56 -2.18 0.00 0.00 179.01 175.84 1spy h GLN 16 N -0.51 0.00 0.00 1.92 3.07 -1.95 -3.28 115.11 114.36 1spy h GLN 16 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1spy h GLN 16 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.03 1spy h GLN 16 CO 0.01 0.30 -0.15 -0.22 0.09 0.00 0.00 178.83 178.86 1spy h LYS 17 N 0.00 0.00 0.00 0.06 1.63 -0.94 -1.94 116.57 115.38 1spy h LYS 17 Ca -0.06 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.62 1spy h LYS 17 Cb 1.36 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.97 1spy h LYS 17 CO 0.04 0.15 -0.65 -0.91 -3.45 0.00 0.00 179.45 174.63 1spy h ASN 18 N 0.00 0.00 0.01 4.20 2.35 -1.57 -3.14 115.58 117.43 1spy h ASN 18 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1spy h ASN 18 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1spy h ASN 18 CO 0.02 0.55 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.26 1spy h GLU 19 N 0.00 -0.01 -0.48 0.81 4.81 -1.45 -2.67 114.58 115.59 1spy h GLU 19 Ca -0.02 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1spy h GLU 19 Cb 1.44 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 1spy h GLU 19 CO 0.07 0.28 0.04 0.74 -0.73 0.00 0.00 179.01 179.40 1spy h PHE 20 N -0.29 0.81 -0.79 0.92 0.04 -1.65 -2.75 116.94 113.23 1spy h PHE 20 Ca -0.00 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 60.72 1spy h PHE 20 Cb 0.29 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 38.16 1spy h PHE 20 CO 0.02 0.73 0.49 -0.22 -0.60 0.00 0.00 178.31 178.73 1spy h LYS 21 N 0.73 0.90 0.00 1.51 3.64 -1.48 0.16 116.57 122.02 1spy h LYS 21 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1spy h LYS 21 Cb 0.39 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1spy h LYS 21 CO 0.01 0.59 0.00 0.00 -2.27 0.00 0.00 179.45 177.79 1spy n ALA 22 N -2.34 2.34 0.20 5.00 0.00 -1.02 -2.77 120.51 121.91 1spy n ALA 22 Ca 0.10 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1spy n ALA 22 Cb 0.13 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.08 2.55 -0.12 0.00 0.00 0.29 -4.61 120.51 117.55 1spy n ALA 23 Ca 0.16 -0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 1spy n ALA 23 Cb 0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.10 0.41 0.23 0.00 -0.00 0.24 -4.19 117.46 113.05 1spy n PHE 24 Ca 0.01 0.18 0.12 0.00 -0.00 0.00 0.00 57.45 57.76 1spy n PHE 24 Cb 0.07 -0.95 0.64 0.00 -0.00 0.00 0.00 39.48 39.24 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 -1.00 0.00 0.00 -2.13 5.19 -1.79 0.23 116.42 116.92 1spy h ASP 25 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1spy h ASP 25 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1spy h ASP 25 CO -0.27 0.00 0.00 -0.38 -3.12 0.00 0.00 179.24 175.47 1spy n ILE 26 N -2.45 0.00 -2.64 0.35 5.41 -1.26 -3.47 119.36 115.30 1spy n ILE 26 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1spy n ILE 26 Cb 0.23 -0.38 0.04 0.00 -0.71 0.00 0.00 39.64 38.83 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 -0.83 0.28 -0.13 1.39 3.01 0.80 -4.89 117.46 117.09 1spy n PHE 27 Ca 0.14 -1.45 -0.11 0.00 1.01 0.00 0.00 57.45 57.05 1spy n PHE 27 Cb 0.07 0.13 0.10 0.00 -0.01 0.00 0.00 39.48 39.77 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 -0.37 2.07 -1.19 -4.37 0.31 -1.23 -4.03 118.33 109.53 1spy n VAL 28 Ca -0.00 -0.96 -0.36 0.00 -0.01 0.00 0.00 64.34 63.01 1spy n VAL 28 Cb 0.90 -0.70 -0.12 0.00 -0.91 0.00 0.00 33.84 33.02 1spy n VAL 28 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1spy n LEU 29 N -0.29 0.29 0.00 7.52 4.32 -1.26 -3.88 117.00 123.70 1spy n LEU 29 Ca 0.29 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 1spy n LEU 29 Cb 1.07 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1spy n LEU 29 CO 0.30 -0.59 0.00 0.61 -1.22 0.00 0.00 177.39 176.49 1spy n GLY 30 N 5.42 1.65 1.49 -0.72 0.00 -1.26 -4.74 105.19 107.03 1spy n GLY 30 Ca 0.52 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.55 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 8.19 -2.62 -0.09 4.61 0.00 -1.25 -4.63 120.51 124.72 1spy n ALA 31 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 53.44 53.97 1spy n ALA 31 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.44 0.50 -0.84 0.00 5.08 -1.93 -3.44 114.58 113.51 1spy h GLU 32 Ca -0.08 -0.20 0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1spy h GLU 32 Cb 1.11 -0.02 -0.21 0.00 0.50 0.00 0.00 28.75 30.13 1spy h GLU 32 CO 0.03 0.74 -0.26 0.34 -1.00 0.00 0.00 179.01 178.86 1spy s ASP 33 N -6.13 -1.30 -1.29 1.42 -1.08 -1.26 -4.96 116.67 102.06 1spy s ASP 33 Ca -0.13 0.36 -0.01 0.00 -0.52 0.00 0.00 52.55 52.24 1spy s ASP 33 Cb 0.07 1.91 0.01 0.00 -1.46 0.00 0.00 42.92 43.45 1spy s ASP 33 CO 0.77 -0.24 0.83 0.61 0.52 0.00 0.00 175.17 177.66 1spy n GLY 34 N 5.38 -0.33 3.22 2.66 0.00 -1.26 -4.99 105.19 109.87 1spy n GLY 34 Ca 0.03 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.05 3.67 0.03 0.00 -4.36 -0.71 -4.21 121.20 114.57 1spy s ILE 36 Ca 0.04 -1.50 -0.27 0.00 -0.26 0.00 0.00 60.65 58.65 1spy s ILE 36 Cb -0.09 -3.17 -0.05 0.00 1.25 0.00 0.00 42.46 40.40 1spy s ILE 36 CO 0.03 -0.25 0.85 -0.55 0.24 0.00 0.00 174.94 175.26 1spy s SER 37 N -3.89 7.28 0.54 4.36 0.15 -1.26 -1.57 113.70 119.31 1spy s SER 37 Ca 0.37 1.53 0.38 0.00 0.70 0.00 0.00 55.95 58.93 1spy s SER 37 Cb -0.06 -2.51 1.57 0.00 -1.71 0.00 0.00 66.02 63.31 1spy s SER 37 CO 0.25 -0.09 1.78 0.71 1.20 0.00 0.00 173.24 177.08 1spy h THR 38 N 4.38 0.37 0.00 6.45 1.35 0.36 2.03 112.91 127.84 1spy h THR 38 Ca -0.42 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1spy h THR 38 Cb 1.21 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1spy h THR 38 CO 0.73 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.29 1spy n LYS 39 N -4.16 0.10 -0.09 4.72 5.02 -1.26 -3.58 118.16 118.90 1spy n LYS 39 Ca 0.27 0.13 -0.18 0.00 -2.02 0.00 0.00 58.31 56.51 1spy n LYS 39 Cb 1.32 -1.63 -0.13 0.00 -0.02 0.00 0.00 35.03 34.58 1spy n LYS 39 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1spy n GLU 40 N -1.80 0.68 -0.54 1.97 -0.58 0.68 -4.24 120.64 116.80 1spy n GLU 40 Ca 0.06 0.17 0.45 0.00 -0.42 0.00 0.00 57.16 57.41 1spy n GLU 40 Cb 0.34 -1.57 0.77 0.00 -0.57 0.00 0.00 31.44 30.41 1spy n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1spy h LEU 41 N 0.02 0.05 -0.16 -4.62 6.46 -1.38 0.41 115.31 116.09 1spy h LEU 41 Ca -0.53 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.30 1spy h LEU 41 Cb 1.96 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 41.87 1spy h LEU 41 CO -0.03 -0.03 -0.14 1.23 -0.62 0.00 0.00 178.44 178.85 1spy h GLY 42 N 0.02 -0.03 2.00 3.75 0.00 -1.74 0.37 103.07 107.45 1spy h GLY 42 Ca 0.81 0.17 -0.04 0.00 0.00 0.00 0.00 47.33 48.26 1spy h GLY 42 CO -0.09 -0.14 -0.19 0.50 0.00 0.00 0.00 176.54 176.61 1spy h LYS 43 N -0.15 0.00 0.01 4.80 1.57 -0.46 -2.42 116.57 119.92 1spy h LYS 43 Ca 0.10 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.67 1spy h LYS 43 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1spy h LYS 43 CO -0.25 0.19 -0.92 0.28 -0.57 0.00 0.00 179.45 178.19 1spy h VAL 44 N 0.00 1.48 -0.56 0.50 2.07 -0.71 -2.43 116.25 116.59 1spy h VAL 44 Ca -0.00 -2.62 -0.10 0.00 0.82 0.00 0.00 66.70 64.80 1spy h VAL 44 Cb 0.44 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1spy h VAL 44 CO 0.03 0.77 -0.03 0.24 0.02 0.00 0.00 177.57 178.59 1spy h MET 45 N 0.13 1.01 0.00 1.57 2.86 0.13 -2.71 114.93 117.92 1spy h MET 45 Ca -0.06 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1spy h MET 45 Cb 1.55 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1spy h MET 45 CO 0.14 1.02 0.00 0.07 1.06 0.00 0.00 176.91 179.21 1spy h ARG 46 N 0.90 0.00 -0.25 1.72 -0.00 -0.47 -1.22 114.38 115.06 1spy h ARG 46 Ca 0.16 0.00 0.07 0.00 -0.00 0.00 0.00 59.98 60.21 1spy h ARG 46 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.54 1spy h ARG 46 CO 0.03 0.00 0.19 0.52 -0.00 0.00 0.00 179.97 180.71 1spy h MET 47 N 0.00 0.00 0.00 0.08 2.86 -1.09 -2.41 114.93 114.37 1spy h MET 47 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1spy h MET 47 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1spy h MET 47 CO 0.00 0.00 -1.29 1.28 1.06 0.00 0.00 176.91 177.96 1spy n LEU 48 N -4.35 0.15 0.00 1.22 4.32 -1.21 -5.02 117.00 112.11 1spy n LEU 48 Ca 0.03 -0.14 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1spy n LEU 48 Cb 0.34 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1spy n LEU 48 CO 0.34 0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.16 1spy n GLY 49 N 1.66 3.03 3.61 -0.72 0.00 -0.91 -5.10 105.19 106.75 1spy n GLY 49 Ca -0.01 -0.44 -0.59 0.00 0.00 0.00 0.00 46.02 44.98 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 0.42 -3.22 1.61 1.13 -0.48 -4.61 117.38 112.23 1spy n GLN 50 Ca 0.00 0.15 -0.24 0.00 -1.94 0.00 0.00 57.00 54.97 1spy n GLN 50 Cb 0.00 -1.71 -0.06 0.00 0.11 0.00 0.00 30.24 28.58 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 2.82 1.59 -2.89 1.08 3.02 -1.26 -0.32 115.26 119.30 1spy n ASN 51 Ca 0.23 -3.04 -0.13 0.00 -0.03 0.00 0.00 54.58 51.62 1spy n ASN 51 Cb 0.08 -0.63 0.10 0.00 -0.61 0.00 0.00 39.78 38.71 1spy n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1spy n PRO 52 N 0.87 -1.38 -4.27 3.52 -0.04 -1.26 -5.06 135.00 127.38 1spy n PRO 52 Ca 0.25 -0.79 -0.28 0.00 -0.04 0.00 0.00 63.50 62.64 1spy n PRO 52 Cb 0.51 -0.65 -0.10 0.00 -0.04 0.00 0.00 33.50 33.23 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 -1.99 3.20 -0.55 0.52 -1.32 -1.26 -5.00 115.64 109.24 1spy s THR 53 Ca 0.31 -1.54 0.25 0.00 -1.21 0.00 0.00 61.69 59.50 1spy s THR 53 Cb -0.02 -2.55 0.26 0.00 -1.51 0.00 0.00 72.50 68.69 1spy s THR 53 CO 0.23 -0.03 1.74 -0.81 -2.21 0.00 0.00 174.62 173.54 1spy n PRO 54 N 0.30 0.22 0.07 7.08 -0.04 -1.26 -2.15 135.00 139.23 1spy n PRO 54 Ca -0.12 0.36 -0.17 0.00 -0.04 0.00 0.00 63.50 63.54 1spy n PRO 54 Cb 0.54 -1.86 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.49 0.12 0.54 4.39 -2.02 -3.28 114.58 114.82 1spy h GLU 55 Ca 0.00 -0.58 -0.33 0.00 0.34 0.00 0.00 59.36 58.79 1spy h GLU 55 Cb 0.49 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1spy h GLU 55 CO 0.00 1.21 -1.73 0.93 -1.16 0.00 0.00 179.01 178.26 1spy h GLU 56 N 0.25 0.25 -0.45 2.33 5.08 -1.97 -3.33 114.58 116.75 1spy h GLU 56 Ca -0.12 -0.43 0.13 0.00 -1.00 0.00 0.00 59.36 57.95 1spy h GLU 56 Cb 1.71 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.10 1spy h GLU 56 CO 0.19 1.10 0.46 -0.07 -1.00 0.00 0.00 179.01 179.69 1spy h LEU 57 N 0.07 0.00 -0.12 1.33 3.38 -1.55 -0.26 115.31 118.16 1spy h LEU 57 Ca -0.32 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.51 1spy h LEU 57 Cb 2.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 1spy h LEU 57 CO 0.13 0.00 -0.46 1.56 0.09 0.00 0.00 178.44 179.77 1spy h GLN 58 N 0.00 0.52 0.00 1.13 1.08 -1.66 -0.99 115.11 115.20 1spy h GLN 58 Ca 0.21 -0.40 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1spy h GLN 58 Cb 1.13 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1spy h GLN 58 CO -0.00 1.03 0.02 1.49 -0.95 0.00 0.00 178.83 180.42 1spy h GLU 59 N 0.13 0.00 0.00 1.46 4.81 -1.20 -2.04 114.58 117.75 1spy h GLU 59 Ca -0.02 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 1spy h GLU 59 Cb 1.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1spy h GLU 59 CO 0.10 0.00 -1.39 -1.33 -0.73 0.00 0.00 179.01 175.65 1spy n MET 60 N -2.89 0.54 -0.25 1.92 2.81 -1.12 -3.96 117.12 114.16 1spy n MET 60 Ca -0.03 0.33 0.06 0.00 -1.81 0.00 0.00 57.70 56.25 1spy n MET 60 Cb 0.08 -1.54 0.19 0.00 -0.71 0.00 0.00 33.22 31.24 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 0.47 0.00 2.02 2.04 -1.08 2.13 117.51 122.09 1spy h ILE 61 Ca -0.25 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1spy h ILE 61 Cb 1.13 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1spy h ILE 61 CO -0.15 0.04 0.00 0.44 0.00 0.00 0.00 178.15 178.48 1spy h ASP 62 N 0.24 0.00 0.00 1.72 5.19 -1.59 0.86 116.42 122.84 1spy h ASP 62 Ca 0.42 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.50 1spy h ASP 62 Cb 0.74 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.19 1spy h ASP 62 CO -0.54 0.00 -2.23 1.21 -3.12 0.00 0.00 179.24 174.56 1spy n GLU 63 N -2.92 0.52 0.05 3.56 2.13 0.32 -4.66 120.64 119.63 1spy n GLU 63 Ca -0.01 0.15 -0.22 0.00 0.66 0.00 0.00 57.16 57.73 1spy n GLU 63 Cb 0.16 -1.40 -0.14 0.00 0.27 0.00 0.00 31.44 30.33 1spy n GLU 63 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1spy h VAL 64 N -0.22 1.07 0.00 6.31 3.04 0.30 -3.37 116.25 123.39 1spy h VAL 64 Ca -0.50 -2.48 -0.55 0.00 -1.01 0.00 0.00 66.70 62.16 1spy h VAL 64 Cb 1.68 2.81 0.02 0.00 -2.01 0.00 0.00 31.29 33.79 1spy h VAL 64 CO -0.15 0.77 3.32 -0.67 -1.01 0.00 0.00 177.57 179.83 1spy n ASP 65 N -3.82 7.06 0.11 3.17 2.03 0.30 -4.55 116.55 120.85 1spy n ASP 65 Ca -0.23 -2.47 0.00 0.00 0.52 0.00 0.00 54.79 52.61 1spy n ASP 65 Cb 0.97 -1.36 0.30 0.00 -0.72 0.00 0.00 41.12 40.30 1spy n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1spy h GLU 66 N 5.59 0.21 0.00 -0.67 5.08 -1.74 -3.29 114.58 119.76 1spy h GLU 66 Ca 0.71 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.89 1spy h GLU 66 Cb 0.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1spy h GLU 66 CO 1.65 0.50 -1.48 -0.25 -1.00 0.00 0.00 179.01 178.42 1spy n ASP 67 N -4.12 3.12 -0.25 1.42 8.00 -1.26 -4.61 116.55 118.85 1spy n ASP 67 Ca -0.01 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.54 1spy n ASP 67 Cb 0.39 0.88 0.18 0.00 -0.02 0.00 0.00 41.12 42.55 1spy n ASP 67 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1spy h GLY 68 N 1.51 0.98 -4.48 0.44 0.00 -1.71 -3.46 103.07 96.35 1spy h GLY 68 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.01 1spy h GLY 68 CO 0.01 -0.23 -0.53 -1.26 0.00 0.00 0.00 176.54 174.53 1spy n SER 69 N -5.21 -4.11 0.00 0.19 2.88 -1.24 -2.99 113.62 103.14 1spy n SER 69 Ca 0.14 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1spy n SER 69 Cb 0.47 -3.47 0.00 0.00 -0.75 0.00 0.00 64.21 60.46 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 -1.26 0.92 2.90 0.46 0.00 -1.26 -5.00 105.19 101.94 1spy n GLY 70 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.65 0.37 0.26 2.61 -4.23 -1.16 0.10 115.64 109.95 1spy s THR 71 Ca 0.00 -0.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.48 1spy s THR 71 Cb 0.00 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 1spy s THR 71 CO 0.00 0.16 0.20 0.68 -0.54 0.00 0.00 174.62 175.12 1spy s VAL 72 N 0.53 4.28 0.45 2.29 -7.23 -0.61 -4.09 120.40 116.02 1spy s VAL 72 Ca -0.06 -1.42 0.06 0.00 -1.81 0.00 0.00 61.98 58.74 1spy s VAL 72 Cb -0.09 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.46 1spy s VAL 72 CO -0.00 -0.33 0.13 -1.81 -0.31 0.00 0.00 175.10 172.77 1spy s ASP 73 N -3.86 4.25 0.47 4.85 1.11 -1.26 -1.74 116.67 120.49 1spy s ASP 73 Ca 0.34 -1.29 0.25 0.00 0.18 0.00 0.00 52.55 52.03 1spy s ASP 73 Cb -0.07 -0.15 1.36 0.00 1.07 0.00 0.00 42.92 45.13 1spy s ASP 73 CO 0.25 -0.65 1.74 0.15 1.18 0.00 0.00 175.17 177.83 1spy h PHE 74 N 1.42 0.00 0.06 4.23 3.57 -1.94 0.18 116.94 124.45 1spy h PHE 74 Ca -0.43 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 1spy h PHE 74 Cb 1.27 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.02 1spy h PHE 74 CO 0.88 0.00 -0.36 -0.44 -2.23 0.00 0.00 178.31 176.16 1spy h ASP 75 N 0.00 0.21 0.06 0.41 5.19 -1.96 -3.19 116.42 117.14 1spy h ASP 75 Ca 0.00 -0.98 -0.00 0.00 -0.62 0.00 0.00 57.03 55.43 1spy h ASP 75 Cb 0.35 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1spy h ASP 75 CO 0.00 1.17 -0.03 -0.33 -3.12 0.00 0.00 179.24 176.93 1spy h GLU 76 N -0.72 -0.08 -0.78 3.56 5.08 -1.63 -3.06 114.58 116.96 1spy h GLU 76 Ca -0.06 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.43 1spy h GLU 76 Cb 1.28 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.41 1spy h GLU 76 CO 0.07 0.50 -0.37 0.35 -1.00 0.00 0.00 179.01 178.56 1spy h PHE 77 N -0.90 -1.03 -0.49 4.33 3.57 -1.20 0.29 116.94 121.51 1spy h PHE 77 Ca -0.01 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1spy h PHE 77 Cb 0.61 0.56 -0.06 0.00 2.79 0.00 0.00 35.95 39.86 1spy h PHE 77 CO 0.15 -0.39 0.16 -0.07 -2.23 0.00 0.00 178.31 175.92 1spy h LEU 78 N -0.09 0.15 -0.48 0.59 3.38 -1.66 -1.76 115.31 115.43 1spy h LEU 78 Ca 0.28 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.38 1spy h LEU 78 Cb 0.57 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1spy h LEU 78 CO -0.83 0.11 0.18 0.58 0.09 0.00 0.00 178.44 178.58 1spy h VAL 79 N 0.33 0.85 -0.28 1.22 2.07 -0.41 -1.52 116.25 118.52 1spy h VAL 79 Ca 0.23 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.69 1spy h VAL 79 Cb 0.26 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1spy h VAL 79 CO -0.25 0.07 -0.09 0.24 0.02 0.00 0.00 177.57 177.55 1spy h MET 80 N 0.36 -0.03 -0.25 1.57 2.86 -0.21 0.13 114.93 119.36 1spy h MET 80 Ca 0.23 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.91 1spy h MET 80 Cb 0.23 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1spy h MET 80 CO -0.23 -0.02 0.01 0.52 1.06 0.00 0.00 176.91 178.25 1spy h MET 81 N -0.04 0.08 -0.41 1.72 2.07 -0.87 0.31 114.93 117.79 1spy h MET 81 Ca 0.14 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 1spy h MET 81 Cb 0.24 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.94 1spy h MET 81 CO -0.31 0.05 0.26 0.28 1.07 0.00 0.00 176.91 178.27 1spy h VAL 82 N 0.08 1.11 0.00 -2.22 2.07 -0.56 0.65 116.25 117.38 1spy h VAL 82 Ca 0.12 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 1spy h VAL 82 Cb 0.15 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1spy h VAL 82 CO -0.20 0.11 -0.49 -0.09 0.02 0.00 0.00 177.57 176.92 1spy h ARG 83 N 0.56 0.00 0.00 1.57 2.43 0.58 -3.18 114.38 116.34 1spy h ARG 83 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1spy h ARG 83 Cb -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1spy h ARG 83 CO -0.03 0.49 -0.97 0.00 -1.51 0.00 0.00 179.97 177.95 1spy s MET 85 N -3.11 2.83 -0.74 0.00 -1.94 0.21 -4.85 119.30 111.72 1spy s MET 85 Ca 0.06 0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 55.02 1spy s MET 85 Cb 0.16 -4.34 0.38 0.00 2.01 0.00 0.00 34.83 33.04 1spy s MET 85 CO 0.81 -2.47 1.86 1.63 -0.01 0.00 0.00 175.02 176.84 1spy n LYS 86 N 8.89 2.88 -3.64 2.03 4.76 -1.26 -4.90 118.16 126.91 1spy n LYS 86 Ca 0.23 -3.66 -0.16 0.00 -2.87 0.00 0.00 58.31 51.85 1spy n LYS 86 Cb 0.50 -2.27 -0.15 0.00 -1.84 0.00 0.00 35.03 31.28 1spy n LYS 86 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1spy s ASP 87 N -1.68 0.73 -1.31 4.39 -4.77 -1.26 -5.07 116.67 107.71 1spy s ASP 87 Ca 0.54 0.33 -0.18 0.00 -3.30 0.00 0.00 52.55 49.94 1spy s ASP 87 Cb 0.44 0.41 0.07 0.00 -1.09 0.00 0.00 42.92 42.75 1spy s ASP 87 CO -0.30 -0.25 1.76 -0.90 0.70 0.00 0.00 175.17 176.18 1spy n ASP 88 N 5.33 4.89 0.00 2.11 5.75 -1.26 -5.25 116.55 128.12 1spy n ASP 88 Ca -0.05 -2.92 0.06 0.00 -0.01 0.00 0.00 54.79 51.87 1spy n ASP 88 Cb 0.50 -1.74 0.35 0.00 -1.03 0.00 0.00 41.12 39.20 1spy n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85