#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 3.34 -4.54 7.83 9.92 -1.26 -4.94 116.55 126.90 1spy n ASP 2 Ca 0.00 -3.49 -0.41 0.00 -0.53 0.00 0.00 54.79 50.36 1spy n ASP 2 Cb 0.00 -0.66 -0.09 0.00 -0.64 0.00 0.00 41.12 39.73 1spy n ASP 2 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1spy s ASP 3 N -2.00 6.19 -0.01 -2.24 1.11 -1.26 -4.89 116.67 113.56 1spy s ASP 3 Ca 0.47 -0.27 0.13 0.00 0.18 0.00 0.00 52.55 53.06 1spy s ASP 3 Cb 0.41 -2.20 -0.19 0.00 1.07 0.00 0.00 42.92 42.01 1spy s ASP 3 CO 0.06 -0.37 0.34 2.30 1.18 0.00 0.00 175.17 178.67 1spy n ILE 4 N 5.26 0.00 0.08 0.77 -5.35 -1.26 -4.46 119.36 114.41 1spy n ILE 4 Ca -0.09 -0.28 0.19 0.00 -0.27 0.00 0.00 62.75 62.30 1spy n ILE 4 Cb 0.49 0.36 0.72 0.00 -1.74 0.00 0.00 39.64 39.48 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 -0.13 4.28 0.05 -1.96 -2.04 116.97 117.17 1spy h TYR 5 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 1spy h TYR 5 Cb 0.54 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 1spy h TYR 5 CO 0.00 0.00 -0.11 -0.22 -1.05 0.00 0.00 178.16 176.78 1spy h LYS 6 N 0.00 -0.12 0.00 4.88 1.63 -2.01 -1.46 116.57 119.50 1spy h LYS 6 Ca 0.19 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.94 1spy h LYS 6 Cb 0.83 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 1spy h LYS 6 CO -0.00 -0.08 -0.29 0.00 -3.45 0.00 0.00 179.45 175.63 1spy h ALA 7 N 0.97 1.39 -0.20 5.00 0.00 -1.68 -3.11 119.26 121.63 1spy h ALA 7 Ca 0.09 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1spy h ALA 7 Cb 0.25 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1spy h ALA 7 CO -0.21 0.37 -0.26 0.00 0.00 0.00 0.00 179.25 179.15 1spy h ALA 8 N 1.71 -0.20 -0.37 0.00 0.00 -1.13 0.26 119.26 119.52 1spy h ALA 8 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1spy h ALA 8 Cb 0.56 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1spy h ALA 8 CO 0.04 -0.70 0.20 0.28 0.00 0.00 0.00 179.25 179.07 1spy h VAL 9 N -0.29 1.15 -0.57 0.00 2.07 -1.47 -2.79 116.25 114.34 1spy h VAL 9 Ca 0.12 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1spy h VAL 9 Cb 0.48 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1spy h VAL 9 CO -0.37 0.15 0.37 -0.33 0.02 0.00 0.00 177.57 177.41 1spy h GLU 10 N 0.48 0.72 -0.16 1.57 4.39 -1.39 -1.53 114.58 118.67 1spy h GLU 10 Ca 0.13 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.83 1spy h GLU 10 Cb 0.06 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1spy h GLU 10 CO -0.02 0.48 0.13 1.96 -1.16 0.00 0.00 179.01 180.40 1spy h GLN 11 N 0.74 0.00 -6.33 2.33 4.20 -0.27 -3.40 115.11 112.39 1spy h GLN 11 Ca 0.22 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.38 1spy h GLN 11 Cb -0.05 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1spy h GLN 11 CO -0.06 0.00 0.36 -0.51 -0.67 0.00 0.00 178.83 177.95 1spy s LEU 12 N -8.35 4.34 0.32 1.46 1.43 -0.58 -5.05 118.68 112.26 1spy s LEU 12 Ca -0.05 1.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.65 1spy s LEU 12 Cb 0.17 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 1spy s LEU 12 CO 0.63 -0.27 0.48 0.42 0.23 0.00 0.00 176.35 177.84 1spy s THR 13 N 1.16 4.76 -0.31 5.49 -4.23 -1.26 -4.89 115.64 116.35 1spy s THR 13 Ca 0.49 -0.77 0.19 0.00 -1.18 0.00 0.00 61.69 60.42 1spy s THR 13 Cb -0.20 -3.70 0.19 0.00 1.34 0.00 0.00 72.50 70.13 1spy s THR 13 CO 0.25 -0.35 1.58 1.21 -0.54 0.00 0.00 174.62 176.77 1spy n GLU 14 N -1.67 0.12 -0.03 3.99 2.13 -1.26 -0.83 120.64 123.10 1spy n GLU 14 Ca -0.04 0.61 -0.15 0.00 0.66 0.00 0.00 57.16 58.24 1spy n GLU 14 Cb 0.57 -1.90 -0.11 0.00 0.27 0.00 0.00 31.44 30.27 1spy n GLU 14 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1spy h GLU 15 N 0.00 0.18 0.10 5.31 4.81 -2.00 -2.82 114.58 120.16 1spy h GLU 15 Ca 0.00 -0.18 -0.30 0.00 -0.13 0.00 0.00 59.36 58.75 1spy h GLU 15 Cb 0.02 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1spy h GLU 15 CO 0.00 0.90 -1.54 -0.56 -0.73 0.00 0.00 179.01 177.08 1spy h GLN 16 N -0.47 0.22 -0.43 1.92 3.07 -1.81 -3.33 115.11 114.29 1spy h GLN 16 Ca -0.03 -0.37 -0.03 0.00 0.09 0.00 0.00 58.65 58.32 1spy h GLN 16 Cb 0.97 0.14 -0.02 0.00 0.08 0.00 0.00 27.48 28.65 1spy h GLN 16 CO 0.05 1.06 0.15 -0.22 0.09 0.00 0.00 178.83 179.95 1spy h LYS 17 N 0.06 0.61 -0.78 0.06 3.64 -1.12 -2.09 116.57 116.95 1spy h LYS 17 Ca -0.24 -0.09 0.21 0.00 -1.27 0.00 0.00 60.65 59.26 1spy h LYS 17 Cb 2.00 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.67 1spy h LYS 17 CO 0.15 0.53 0.55 -0.91 -2.27 0.00 0.00 179.45 177.50 1spy h ASN 18 N 0.61 0.10 0.06 4.20 4.21 -1.60 0.20 115.58 123.36 1spy h ASN 18 Ca 0.15 0.01 -0.13 0.00 1.21 0.00 0.00 56.30 57.54 1spy h ASN 18 Cb 0.16 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 1spy h ASN 18 CO -0.01 0.04 -0.42 -0.33 -1.29 0.00 0.00 177.43 175.42 1spy h GLU 19 N 0.10 0.45 0.02 0.81 5.08 -1.56 -3.01 114.58 116.47 1spy h GLU 19 Ca 0.38 -0.23 -0.26 0.00 -1.00 0.00 0.00 59.36 58.25 1spy h GLU 19 Cb 1.35 0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.63 1spy h GLU 19 CO -0.04 0.80 -1.05 0.74 -1.00 0.00 0.00 179.01 178.45 1spy h PHE 20 N 0.37 0.90 -0.68 4.33 0.04 -0.73 -2.79 116.94 118.37 1spy h PHE 20 Ca 0.03 -0.50 0.07 0.00 2.80 0.00 0.00 57.97 60.37 1spy h PHE 20 Cb 0.90 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.89 1spy h PHE 20 CO 0.03 1.34 0.37 -0.22 -0.60 0.00 0.00 178.31 179.23 1spy h LYS 21 N 0.32 0.65 0.24 1.51 3.64 -1.24 -0.45 116.57 121.24 1spy h LYS 21 Ca -0.12 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1spy h LYS 21 Cb 1.70 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1spy h LYS 21 CO 0.20 0.43 -0.12 0.00 -2.27 0.00 0.00 179.45 177.69 1spy h ALA 22 N 1.37 -0.33 0.00 5.00 0.00 -1.57 -2.79 119.26 120.95 1spy h ALA 22 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1spy h ALA 22 Cb 0.24 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1spy h ALA 22 CO -0.21 -0.47 0.15 0.00 0.00 0.00 0.00 179.25 178.73 1spy h ALA 23 N -0.18 1.12 0.07 0.00 0.00 -1.26 -2.54 119.26 116.46 1spy h ALA 23 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1spy h ALA 23 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1spy h ALA 23 CO 0.05 -0.12 -0.03 0.35 0.00 0.00 0.00 179.25 179.50 1spy h PHE 24 N 0.00 -0.09 -0.19 0.00 3.04 -0.81 -3.32 116.94 115.57 1spy h PHE 24 Ca 0.00 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.00 1spy h PHE 24 Cb 0.30 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1spy h PHE 24 CO 0.00 -0.06 0.18 -0.44 -2.02 0.00 0.00 178.31 175.97 1spy h ASP 25 N -0.93 0.00 0.37 0.41 3.32 -1.35 0.11 116.42 118.34 1spy h ASP 25 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1spy h ASP 25 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1spy h ASP 25 CO 0.02 0.00 -0.01 0.40 -1.72 0.00 0.00 179.24 177.92 1spy h ILE 26 N 0.00 0.09 -1.99 0.35 2.04 -1.56 -3.21 117.51 113.23 1spy h ILE 26 Ca 0.09 -0.23 -0.49 0.00 1.00 0.00 0.00 64.86 65.23 1spy h ILE 26 Cb 0.44 1.20 -0.40 0.00 -0.74 0.00 0.00 36.82 37.32 1spy h ILE 26 CO -0.00 0.01 -1.10 0.49 0.00 0.00 0.00 178.15 177.56 1spy n PHE 27 N -3.18 0.96 0.53 1.37 3.72 0.37 -4.83 117.46 116.40 1spy n PHE 27 Ca -0.02 -3.78 0.06 0.00 -0.05 0.00 0.00 57.45 53.66 1spy n PHE 27 Cb 0.16 -0.43 0.02 0.00 -0.94 0.00 0.00 39.48 38.30 1spy n PHE 27 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1spy n VAL 28 N 0.16 0.00 0.00 -4.37 0.24 -1.19 -4.54 118.33 108.63 1spy n VAL 28 Ca 0.25 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1spy n VAL 28 Cb 0.62 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 1spy n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1spy n LEU 29 N 0.18 0.00 -3.70 1.34 4.77 -1.26 -4.09 117.00 114.24 1spy n LEU 29 Ca 0.06 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 1spy n LEU 29 Cb 0.28 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.25 1spy n LEU 29 CO 0.12 0.00 -0.04 -0.83 -1.33 0.00 0.00 177.39 175.31 1spy s GLY 30 N 0.00 -0.23 0.00 -0.72 0.00 -1.26 -5.12 107.32 99.98 1spy s GLY 30 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 44.72 45.98 1spy s GLY 30 CO 0.00 1.56 0.00 0.00 0.00 0.00 0.00 173.10 174.66 1spy n ALA 31 N 4.38 0.00 -0.19 3.20 0.00 -1.26 -4.97 120.51 121.67 1spy n ALA 31 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 1spy n ALA 31 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 -0.29 0.00 0.00 4.57 -1.96 -3.42 114.58 113.48 1spy h GLU 32 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1spy h GLU 32 Cb 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1spy h GLU 32 CO 0.00 -0.19 0.00 -3.47 -1.18 0.00 0.00 179.01 174.17 1spy n ASP 33 N -5.37 0.00 0.00 1.04 -0.08 -1.26 -5.01 116.55 105.87 1spy n ASP 33 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1spy n ASP 33 Cb 0.33 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.79 1spy n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1spy n GLY 34 N 0.00 0.00 3.25 0.27 0.00 -1.26 -5.12 105.19 102.33 1spy n GLY 34 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.10 2.07 -0.06 0.00 -4.36 -0.44 -4.56 121.20 112.77 1spy s ILE 36 Ca 0.05 -1.70 -0.21 0.00 -0.26 0.00 0.00 60.65 58.53 1spy s ILE 36 Cb -0.10 -2.77 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 1spy s ILE 36 CO 0.03 0.00 0.62 -0.55 0.24 0.00 0.00 174.94 175.28 1spy s SER 37 N -3.96 6.92 0.34 4.36 0.15 -1.26 -2.35 113.70 117.90 1spy s SER 37 Ca 0.36 1.10 0.15 0.00 0.70 0.00 0.00 55.95 58.26 1spy s SER 37 Cb 0.03 -2.37 1.11 0.00 -1.71 0.00 0.00 66.02 63.07 1spy s SER 37 CO 0.20 -0.02 1.64 0.71 1.20 0.00 0.00 173.24 176.97 1spy h THR 38 N 4.54 0.23 0.00 6.45 1.35 -1.88 1.61 112.91 125.21 1spy h THR 38 Ca -0.42 -0.08 -0.08 0.00 -0.55 0.00 0.00 66.41 65.28 1spy h THR 38 Cb 1.19 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 1spy h THR 38 CO 0.74 0.04 -0.37 0.11 -0.25 0.00 0.00 175.52 175.79 1spy h LYS 39 N 0.24 0.00 0.06 4.72 1.57 -1.92 -3.15 116.57 118.09 1spy h LYS 39 Ca 0.74 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 59.28 1spy h LYS 39 Cb 1.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 1spy h LYS 39 CO -0.65 0.37 -1.14 0.93 -0.57 0.00 0.00 179.45 178.38 1spy h GLU 40 N 0.00 0.13 -0.47 3.15 4.39 0.19 -3.24 114.58 118.73 1spy h GLU 40 Ca -0.00 -0.22 0.14 0.00 0.34 0.00 0.00 59.36 59.61 1spy h GLU 40 Cb 1.01 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1spy h GLU 40 CO 0.05 1.09 0.55 1.25 -1.16 0.00 0.00 179.01 180.79 1spy h LEU 41 N 0.04 0.00 0.34 1.33 6.46 -0.82 -2.17 115.31 120.48 1spy h LEU 41 Ca -0.08 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1spy h LEU 41 Cb 1.87 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.80 1spy h LEU 41 CO 0.16 0.00 -0.26 1.23 -0.62 0.00 0.00 178.44 178.96 1spy h GLY 42 N 0.00 -0.90 0.81 3.75 0.00 -1.71 0.11 103.07 105.13 1spy h GLY 42 Ca 0.22 0.39 0.13 0.00 0.00 0.00 0.00 47.33 48.08 1spy h GLY 42 CO -0.00 -0.30 0.47 0.50 0.00 0.00 0.00 176.54 177.20 1spy h LYS 43 N -0.57 0.00 -0.15 4.80 1.57 -1.62 0.84 116.57 121.44 1spy h LYS 43 Ca -0.04 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 1spy h LYS 43 Cb 0.47 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1spy h LYS 43 CO 0.01 0.00 -0.59 0.28 -0.57 0.00 0.00 179.45 178.58 1spy h VAL 44 N 0.00 1.32 -0.11 0.50 2.07 -1.11 -2.68 116.25 116.23 1spy h VAL 44 Ca 0.22 -1.84 -0.13 0.00 0.82 0.00 0.00 66.70 65.77 1spy h VAL 44 Cb 1.15 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1spy h VAL 44 CO -0.00 0.57 -0.50 0.24 0.02 0.00 0.00 177.57 177.90 1spy h MET 45 N 0.34 0.30 -0.08 1.57 2.86 0.16 -3.16 114.93 116.92 1spy h MET 45 Ca -0.03 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1spy h MET 45 Cb 1.22 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 1spy h MET 45 CO 0.12 0.73 -0.01 0.00 1.06 0.00 0.00 176.91 178.82 1spy h ARG 46 N 0.24 0.14 0.00 1.72 3.08 -1.31 -2.44 114.38 115.82 1spy h ARG 46 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1spy h ARG 46 Cb 0.97 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1spy h ARG 46 CO 0.08 0.44 0.06 0.52 -1.07 0.00 0.00 179.97 180.00 1spy h MET 47 N -0.17 0.00 -0.62 0.04 2.86 -1.47 0.22 114.93 115.79 1spy h MET 47 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1spy h MET 47 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1spy h MET 47 CO 0.01 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.26 1spy n LEU 48 N -2.34 3.74 -1.15 1.22 4.77 -0.93 -4.98 117.00 117.33 1spy n LEU 48 Ca -0.02 -1.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 1spy n LEU 48 Cb 0.09 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1spy n LEU 48 CO 0.10 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1spy n GLY 49 N 1.51 -0.56 3.58 -0.72 0.00 0.78 -5.08 105.19 104.70 1spy n GLY 49 Ca 0.22 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.89 0.53 -0.41 1.61 -1.52 -1.17 -4.93 119.66 112.88 1spy s GLN 50 Ca 0.00 -0.22 0.09 0.00 -1.95 0.00 0.00 55.36 53.29 1spy s GLN 50 Cb 0.00 0.23 0.34 0.00 -0.22 0.00 0.00 33.01 33.36 1spy s GLN 50 CO 0.00 -0.24 0.94 0.27 -0.25 0.00 0.00 175.29 176.01 1spy n ASN 51 N -0.20 -0.71 -3.23 5.90 0.23 -1.26 -4.25 115.26 111.74 1spy n ASN 51 Ca -0.04 -3.31 0.00 0.00 -0.53 0.00 0.00 54.58 50.70 1spy n ASN 51 Cb 0.60 0.62 0.00 0.00 -2.08 0.00 0.00 39.78 38.92 1spy n ASN 51 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1spy n PRO 52 N 0.28 0.81 -4.24 -0.53 -0.04 -1.26 -5.09 135.00 124.94 1spy n PRO 52 Ca 0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.47 1spy n PRO 52 Cb 0.69 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 34.05 1spy n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1spy s THR 53 N -0.11 1.08 0.20 0.52 -4.23 -1.26 -5.04 115.64 106.80 1spy s THR 53 Ca 0.00 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 1spy s THR 53 Cb 0.00 -1.82 -0.09 0.00 1.34 0.00 0.00 72.50 71.92 1spy s THR 53 CO 0.00 -0.77 1.47 1.55 -0.54 0.00 0.00 174.62 176.34 1spy h PRO 54 N 2.81 0.23 0.00 3.99 0.13 -2.00 -3.02 132.00 134.14 1spy h PRO 54 Ca -0.36 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 1spy h PRO 54 Cb 1.19 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1spy h PRO 54 CO 0.64 0.86 -0.17 1.49 -0.23 0.00 0.00 178.00 180.59 1spy h GLU 55 N 0.15 0.00 0.14 0.86 4.81 -2.00 -2.81 114.58 115.74 1spy h GLU 55 Ca -0.02 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.92 1spy h GLU 55 Cb 1.30 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.68 1spy h GLU 55 CO 0.11 0.17 -1.29 0.93 -0.73 0.00 0.00 179.01 178.21 1spy h GLU 56 N 0.00 0.31 0.21 1.92 5.08 -1.95 -3.10 114.58 117.04 1spy h GLU 56 Ca -0.00 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1spy h GLU 56 Cb 0.84 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1spy h GLU 56 CO 0.02 1.25 -0.10 -0.07 -1.00 0.00 0.00 179.01 179.11 1spy h LEU 57 N 0.08 -0.23 -0.59 1.33 3.38 -1.49 -2.91 115.31 114.88 1spy h LEU 57 Ca -0.16 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 57.65 1spy h LEU 57 Cb 2.00 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 42.72 1spy h LEU 57 CO 0.21 0.29 0.04 -0.61 0.09 0.00 0.00 178.44 178.47 1spy h GLN 58 N -0.90 0.16 -0.09 1.13 5.75 -1.65 1.26 115.11 120.76 1spy h GLN 58 Ca -0.03 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1spy h GLN 58 Cb 0.50 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.01 1spy h GLN 58 CO 0.05 0.10 0.07 1.49 -2.65 0.00 0.00 178.83 177.89 1spy h GLU 59 N 0.16 0.00 0.03 1.69 4.22 -1.61 -2.13 114.58 116.95 1spy h GLU 59 Ca 0.31 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 59.41 1spy h GLU 59 Cb 0.48 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1spy h GLU 59 CO -0.46 0.00 -1.99 -1.33 -2.18 0.00 0.00 179.01 173.05 1spy n MET 60 N -4.25 0.67 0.27 1.92 2.81 0.12 -4.06 117.12 114.61 1spy n MET 60 Ca -0.01 0.21 0.13 0.00 -1.81 0.00 0.00 57.70 56.23 1spy n MET 60 Cb 0.18 -1.69 0.76 0.00 -0.71 0.00 0.00 33.22 31.76 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 0.02 0.53 -0.66 2.02 2.04 0.19 0.12 117.51 121.76 1spy h ILE 61 Ca -0.40 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.03 1spy h ILE 61 Cb 2.06 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 39.40 1spy h ILE 61 CO 0.06 0.10 0.40 0.44 0.00 0.00 0.00 178.15 179.14 1spy h ASP 62 N 0.00 0.63 0.05 1.72 3.32 -1.54 0.36 116.42 120.96 1spy h ASP 62 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1spy h ASP 62 Cb 0.30 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1spy h ASP 62 CO 0.01 0.43 -1.57 -0.62 -1.72 0.00 0.00 179.24 175.77 1spy n GLU 63 N -4.72 0.41 0.04 3.56 1.02 -1.02 -4.31 120.64 115.62 1spy n GLU 63 Ca 0.07 -0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 1spy n GLU 63 Cb 0.11 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 1spy n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1spy h VAL 64 N 0.00 1.18 0.00 2.62 2.07 -0.54 -3.38 116.25 118.20 1spy h VAL 64 Ca 0.00 -2.88 -0.28 0.00 0.82 0.00 0.00 66.70 64.36 1spy h VAL 64 Cb 0.81 2.70 0.02 0.00 -1.52 0.00 0.00 31.29 33.30 1spy h VAL 64 CO 0.00 0.78 2.12 -0.90 0.02 0.00 0.00 177.57 179.60 1spy n ASP 65 N -3.35 3.38 -0.20 0.57 5.75 0.12 -4.62 116.55 118.19 1spy n ASP 65 Ca -0.14 -2.24 -0.00 0.00 -0.01 0.00 0.00 54.79 52.39 1spy n ASP 65 Cb 1.03 -0.92 0.07 0.00 -1.03 0.00 0.00 41.12 40.27 1spy n ASP 65 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1spy h GLU 66 N 6.91 0.02 -0.36 0.11 4.81 -1.85 -3.17 114.58 121.05 1spy h GLU 66 Ca 0.35 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.32 1spy h GLU 66 Cb 0.14 -0.01 -0.38 0.00 0.63 0.00 0.00 28.75 29.13 1spy h GLU 66 CO 1.34 0.02 -1.02 -0.40 -0.73 0.00 0.00 179.01 178.21 1spy n ASP 67 N -5.39 1.94 -0.11 1.04 5.68 -1.26 -4.86 116.55 113.59 1spy n ASP 67 Ca 0.08 -2.37 -0.23 0.00 -0.50 0.00 0.00 54.79 51.77 1spy n ASP 67 Cb 0.33 -0.42 -0.08 0.00 -1.14 0.00 0.00 41.12 39.81 1spy n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1spy n GLY 68 N -0.40 -0.35 2.47 6.12 0.00 -1.20 -5.01 105.19 106.82 1spy n GLY 68 Ca 0.13 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.95 -4.19 0.00 1.61 2.88 -1.26 -3.70 113.62 105.02 1spy n SER 69 Ca -0.43 -0.16 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 1spy n SER 69 Cb 0.81 -3.07 0.00 0.00 -0.75 0.00 0.00 64.21 61.19 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 -1.19 0.79 3.17 0.46 0.00 -1.26 -5.11 105.19 102.05 1spy n GLY 70 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.76 0.00 0.16 2.61 -4.23 -1.24 -2.70 115.64 108.48 1spy s THR 71 Ca 0.00 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.52 1spy s THR 71 Cb 0.00 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.40 1spy s THR 71 CO 0.00 -0.02 0.19 0.68 -0.54 0.00 0.00 174.62 174.93 1spy s VAL 72 N 0.07 4.79 0.52 2.29 -7.23 -0.99 -4.15 120.40 115.68 1spy s VAL 72 Ca -0.01 -0.93 0.06 0.00 -1.81 0.00 0.00 61.98 59.29 1spy s VAL 72 Cb -0.02 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.49 1spy s VAL 72 CO 0.01 -0.10 0.39 -1.81 -0.31 0.00 0.00 175.10 173.28 1spy s ASP 73 N -3.13 4.68 0.41 4.85 1.11 -1.26 -1.33 116.67 121.99 1spy s ASP 73 Ca 0.32 -1.16 0.23 0.00 0.18 0.00 0.00 52.55 52.13 1spy s ASP 73 Cb -0.10 0.20 1.28 0.00 1.07 0.00 0.00 42.92 45.36 1spy s ASP 73 CO 0.25 -1.00 1.69 0.15 1.18 0.00 0.00 175.17 177.44 1spy h PHE 74 N 0.84 0.00 0.13 4.23 3.57 -2.00 -0.68 116.94 123.03 1spy h PHE 74 Ca -0.38 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 60.78 1spy h PHE 74 Cb 1.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1spy h PHE 74 CO 0.87 0.00 -1.79 -0.44 -2.23 0.00 0.00 178.31 174.73 1spy h ASP 75 N 0.00 0.44 0.09 0.41 3.32 -1.93 -3.26 116.42 115.49 1spy h ASP 75 Ca 0.00 -0.77 -0.00 0.00 0.02 0.00 0.00 57.03 56.28 1spy h ASP 75 Cb 0.24 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1spy h ASP 75 CO 0.00 1.67 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.81 1spy h GLU 76 N 0.08 -0.12 -0.64 3.56 4.39 -1.53 -3.17 114.58 117.16 1spy h GLU 76 Ca -0.35 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.50 1spy h GLU 76 Cb 2.05 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 30.62 1spy h GLU 76 CO 0.13 0.39 -0.01 0.35 -1.16 0.00 0.00 179.01 178.71 1spy h PHE 77 N -0.90 -0.07 -0.34 4.33 3.57 -1.49 -0.54 116.94 121.50 1spy h PHE 77 Ca -0.01 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1spy h PHE 77 Cb 0.56 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.36 1spy h PHE 77 CO 0.12 -0.19 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.80 1spy h LEU 78 N 0.10 -0.48 -0.32 0.59 -0.00 -1.65 0.16 115.31 113.72 1spy h LEU 78 Ca 0.33 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.34 1spy h LEU 78 Cb 0.55 0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.47 1spy h LEU 78 CO -0.56 -0.17 0.21 0.58 -0.00 0.00 0.00 178.44 178.49 1spy h VAL 79 N -0.08 1.08 0.00 1.22 2.07 -1.12 -1.34 116.25 118.08 1spy h VAL 79 Ca 0.17 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1spy h VAL 79 Cb 0.34 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1spy h VAL 79 CO -0.39 0.08 -0.08 0.24 0.02 0.00 0.00 177.57 177.44 1spy h MET 80 N 0.43 0.00 0.10 1.57 2.86 -0.35 -2.52 114.93 117.02 1spy h MET 80 Ca 0.12 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.51 1spy h MET 80 Cb -0.04 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.64 1spy h MET 80 CO -0.02 0.08 -1.02 0.52 1.06 0.00 0.00 176.91 177.53 1spy h MET 81 N 0.00 0.51 0.00 1.72 2.07 0.32 -3.16 114.93 116.39 1spy h MET 81 Ca -0.00 -0.68 0.00 0.00 -2.07 0.00 0.00 59.70 56.94 1spy h MET 81 Cb 0.21 0.23 0.00 0.00 -1.87 0.00 0.00 31.60 30.17 1spy h MET 81 CO 0.01 1.29 0.00 1.33 1.07 0.00 0.00 176.91 180.61 1spy n VAL 82 N -3.96 0.86 1.02 -2.22 0.24 -0.61 -1.81 118.33 111.85 1spy n VAL 82 Ca -0.13 0.29 0.12 0.00 -2.04 0.00 0.00 64.34 62.58 1spy n VAL 82 Cb 0.89 -1.22 0.25 0.00 -1.47 0.00 0.00 33.84 32.28 1spy n VAL 82 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1spy n ARG 83 N -2.23 2.14 -0.29 7.34 0.63 -0.98 -4.09 116.66 119.18 1spy n ARG 83 Ca 0.02 -1.68 0.08 0.00 -0.92 0.00 0.00 57.85 55.35 1spy n ARG 83 Cb 0.21 -1.47 0.17 0.00 0.45 0.00 0.00 32.46 31.82 1spy n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1spy n MET 85 N -1.24 4.40 -3.15 0.00 2.81 -1.24 -4.78 117.12 113.92 1spy n MET 85 Ca 0.18 -3.79 0.05 0.00 -1.81 0.00 0.00 57.70 52.34 1spy n MET 85 Cb 0.70 -2.68 -0.01 0.00 -0.71 0.00 0.00 33.22 30.52 1spy n MET 85 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1spy s LYS 86 N -1.33 0.16 0.11 0.03 2.20 -1.26 -5.08 119.74 114.57 1spy s LYS 86 Ca 0.44 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1spy s LYS 86 Cb 0.14 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1spy s LYS 86 CO -0.04 -0.25 0.00 -0.25 -0.36 0.00 0.00 175.35 174.44 1spy n ASP 87 N 5.26 -0.64 -3.30 1.43 9.92 -1.26 -5.08 116.55 122.88 1spy n ASP 87 Ca 0.03 0.20 -0.10 0.00 -0.53 0.00 0.00 54.79 54.39 1spy n ASP 87 Cb 0.56 0.81 -0.05 0.00 -0.64 0.00 0.00 41.12 41.80 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 -2.77 0.10 0.00 -2.24 -1.08 -1.26 -5.31 116.67 104.12 1spy s ASP 88 Ca 0.00 -1.27 0.00 0.00 -0.52 0.00 0.00 52.55 50.76 1spy s ASP 88 Cb 0.00 1.11 0.00 0.00 -1.46 0.00 0.00 42.92 42.57 1spy s ASP 88 CO 0.00 -0.22 0.00 -0.24 0.52 0.00 0.00 175.17 175.23