#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 1.33 0.00 6.12 9.92 -1.26 -5.10 116.55 127.56 1spy n ASP 2 Ca 0.00 -1.91 0.00 0.00 -0.53 0.00 0.00 54.79 52.35 1spy n ASP 2 Cb 0.00 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 1spy n ASP 2 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1spy n ASP 3 N -2.51 0.00 0.21 -2.24 9.92 -1.26 -4.73 116.55 115.94 1spy n ASP 3 Ca 0.08 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.43 1spy n ASP 3 Cb 0.35 0.00 0.40 0.00 -0.64 0.00 0.00 41.12 41.23 1spy n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1spy h ILE 4 N 0.00 0.53 0.00 0.53 -0.00 -2.04 -2.92 117.51 113.61 1spy h ILE 4 Ca 0.00 -1.21 -0.10 0.00 -0.00 0.00 0.00 64.86 63.55 1spy h ILE 4 Cb 0.00 1.84 -0.01 0.00 -0.00 0.00 0.00 36.82 38.65 1spy h ILE 4 CO 0.00 0.23 -0.47 1.88 -0.00 0.00 0.00 178.15 179.79 1spy h TYR 5 N 0.00 0.00 -0.96 0.16 0.05 -2.01 -3.15 116.97 111.05 1spy h TYR 5 Ca -0.00 0.00 0.26 0.00 0.05 0.00 0.00 58.73 59.04 1spy h TYR 5 Cb 0.83 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.43 1spy h TYR 5 CO 0.00 0.47 0.49 -0.22 -1.05 0.00 0.00 178.16 177.85 1spy h LYS 6 N 0.00 0.40 0.00 4.88 3.64 -1.80 1.66 116.57 125.34 1spy h LYS 6 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1spy h LYS 6 Cb 0.98 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1spy h LYS 6 CO 0.06 0.26 0.00 0.00 -2.27 0.00 0.00 179.45 177.50 1spy h ALA 7 N 1.77 1.00 -0.25 5.00 0.00 -1.75 -2.68 119.26 122.35 1spy h ALA 7 Ca 0.64 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 1spy h ALA 7 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1spy h ALA 7 CO -0.55 0.00 0.16 0.00 0.00 0.00 0.00 179.25 178.85 1spy h ALA 8 N 2.05 0.32 -0.01 0.00 0.00 0.23 -2.68 119.26 119.18 1spy h ALA 8 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1spy h ALA 8 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1spy h ALA 8 CO 0.00 -0.18 -0.80 0.28 0.00 0.00 0.00 179.25 178.55 1spy h VAL 9 N 0.32 1.51 -0.70 0.00 2.07 -1.58 -3.23 116.25 114.65 1spy h VAL 9 Ca 0.09 -2.55 0.09 0.00 0.82 0.00 0.00 66.70 65.15 1spy h VAL 9 Cb 0.00 2.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 1spy h VAL 9 CO -0.02 0.74 0.34 -0.33 0.02 0.00 0.00 177.57 178.32 1spy h GLU 10 N 0.07 0.56 0.00 1.57 5.08 -1.41 0.15 114.58 120.60 1spy h GLU 10 Ca -0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1spy h GLU 10 Cb 1.39 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1spy h GLU 10 CO 0.11 0.37 -0.10 1.96 -1.00 0.00 0.00 179.01 180.36 1spy h GLN 11 N 0.57 0.00 -6.59 2.33 4.20 -1.50 -3.43 115.11 110.70 1spy h GLN 11 Ca 0.35 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.54 1spy h GLN 11 Cb 0.37 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1spy h GLN 11 CO -0.28 0.10 0.06 -0.51 -0.67 0.00 0.00 178.83 177.53 1spy s LEU 12 N -6.62 4.22 0.32 1.46 1.43 0.54 -5.08 118.68 114.94 1spy s LEU 12 Ca -0.01 1.28 0.10 0.00 -1.03 0.00 0.00 54.13 54.47 1spy s LEU 12 Cb 0.11 -3.74 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 1spy s LEU 12 CO 0.57 -0.06 -0.12 0.42 0.23 0.00 0.00 176.35 177.38 1spy s THR 13 N -1.72 2.27 0.17 5.49 -4.23 -1.26 -4.93 115.64 111.44 1spy s THR 13 Ca 0.47 -2.26 -0.26 0.00 -1.18 0.00 0.00 61.69 58.46 1spy s THR 13 Cb -0.13 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.21 1spy s THR 13 CO 0.19 -0.27 1.56 -0.08 -0.54 0.00 0.00 174.62 175.48 1spy h GLU 14 N 2.11 -0.16 -0.91 3.99 4.57 -1.96 0.84 114.58 123.06 1spy h GLU 14 Ca -0.41 0.01 0.25 0.00 -1.18 0.00 0.00 59.36 58.03 1spy h GLU 14 Cb 1.25 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.73 1spy h GLU 14 CO 0.67 -0.11 0.31 1.49 -1.18 0.00 0.00 179.01 180.19 1spy h GLU 15 N -0.17 0.23 0.05 1.92 4.57 -1.99 0.82 114.58 120.01 1spy h GLU 15 Ca 0.19 -0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 58.09 1spy h GLU 15 Cb 0.54 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1spy h GLU 15 CO -0.77 0.15 -1.09 1.96 -1.18 0.00 0.00 179.01 178.08 1spy h GLN 16 N 0.23 0.52 0.00 1.92 7.50 -0.48 -3.18 115.11 121.62 1spy h GLN 16 Ca 0.59 -0.62 -0.05 0.00 0.50 0.00 0.00 58.65 59.07 1spy h GLN 16 Cb 1.24 0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.96 1spy h GLN 16 CO -0.65 1.25 -0.24 0.87 -1.50 0.00 0.00 178.83 178.56 1spy h LYS 17 N 0.26 0.00 -0.23 1.46 1.57 0.39 -2.70 116.57 117.32 1spy h LYS 17 Ca -0.13 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1spy h LYS 17 Cb 1.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 1spy h LYS 17 CO 0.20 0.24 -0.31 -0.97 -0.57 0.00 0.00 179.45 178.04 1spy h ASN 18 N 0.00 0.47 -0.50 0.86 -1.24 0.49 -2.17 115.58 113.49 1spy h ASN 18 Ca -0.00 -0.18 -0.09 0.00 0.71 0.00 0.00 56.30 56.74 1spy h ASN 18 Cb 0.61 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 1spy h ASN 18 CO 0.03 0.76 -0.02 -0.33 -1.29 0.00 0.00 177.43 176.58 1spy h GLU 19 N 0.40 0.94 -0.33 6.67 5.08 -1.52 -2.48 114.58 123.34 1spy h GLU 19 Ca 0.05 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 57.97 1spy h GLU 19 Cb 0.75 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1spy h GLU 19 CO 0.06 0.95 -0.40 0.74 -1.00 0.00 0.00 179.01 179.35 1spy h PHE 20 N 0.86 0.97 -0.28 4.33 0.04 -1.51 -1.05 116.94 120.30 1spy h PHE 20 Ca 0.16 -0.29 0.01 0.00 2.80 0.00 0.00 57.97 60.65 1spy h PHE 20 Cb 0.54 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 1spy h PHE 20 CO 0.03 1.07 0.15 -0.22 -0.60 0.00 0.00 178.31 178.75 1spy h LYS 21 N 0.66 0.31 0.00 1.51 1.63 -1.17 0.52 116.57 120.01 1spy h LYS 21 Ca 0.05 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1spy h LYS 21 Cb 0.97 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1spy h LYS 21 CO 0.09 0.20 0.00 0.00 -3.45 0.00 0.00 179.45 176.30 1spy n ALA 22 N -2.21 2.35 0.61 5.00 0.00 -0.95 -1.86 120.51 123.45 1spy n ALA 22 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.37 1spy n ALA 22 Cb 0.05 -1.44 0.01 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 -1.30 2.98 -0.03 0.00 0.00 -0.21 -4.44 120.51 117.50 1spy n ALA 23 Ca 0.12 -0.51 -0.07 0.00 0.00 0.00 0.00 53.44 52.99 1spy n ALA 23 Cb 0.23 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.06 0.00 0.13 0.00 -0.00 0.16 -4.57 117.46 113.12 1spy n PHE 24 Ca 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.56 1spy n PHE 24 Cb 0.30 -0.24 0.25 0.00 -0.00 0.00 0.00 39.48 39.79 1spy n PHE 24 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1spy n ASP 25 N -3.16 0.22 0.09 -2.13 2.03 -0.77 -1.74 116.55 111.08 1spy n ASP 25 Ca -0.13 0.59 0.09 0.00 0.52 0.00 0.00 54.79 55.86 1spy n ASP 25 Cb 0.60 -0.63 0.39 0.00 -0.72 0.00 0.00 41.12 40.76 1spy n ASP 25 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1spy n ILE 26 N -1.79 1.11 -2.81 5.18 5.41 -1.26 -3.53 119.36 121.66 1spy n ILE 26 Ca 0.00 0.39 -0.11 0.00 1.00 0.00 0.00 62.75 64.04 1spy n ILE 26 Cb 0.04 -1.31 0.06 0.00 -0.71 0.00 0.00 39.64 37.72 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 -1.95 -1.29 0.75 1.39 3.72 -0.71 -4.92 117.46 114.45 1spy n PHE 27 Ca 0.01 -2.59 0.12 0.00 -0.05 0.00 0.00 57.45 54.95 1spy n PHE 27 Cb 0.13 0.77 0.50 0.00 -0.94 0.00 0.00 39.48 39.94 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 0.00 0.42 -2.32 -4.37 0.31 -1.23 -4.43 118.33 106.71 1spy n VAL 28 Ca 0.08 0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.37 1spy n VAL 28 Cb 0.75 -0.69 -0.01 0.00 -0.91 0.00 0.00 33.84 32.98 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 -1.74 -0.11 0.00 7.52 4.32 -1.26 -3.54 117.00 122.19 1spy n LEU 29 Ca 0.05 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1spy n LEU 29 Cb 0.31 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.28 1spy n LEU 29 CO 0.24 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.03 1spy n GLY 30 N -0.47 1.28 3.13 -0.72 0.00 -1.26 -4.89 105.19 102.25 1spy n GLY 30 Ca 0.02 0.32 -0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 3.66 -1.64 -0.41 4.61 0.00 -1.23 -2.62 120.51 122.87 1spy n ALA 31 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1spy n ALA 31 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.80 0.00 0.00 0.00 -0.58 -1.26 -3.45 120.64 117.15 1spy n GLU 32 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1spy n GLU 32 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.15 1spy n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1spy n ASP 33 N 1.39 0.00 0.00 1.62 2.03 -1.10 -5.01 116.55 115.48 1spy n ASP 33 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1spy n ASP 33 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1spy n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1spy n GLY 34 N 0.00 0.92 3.07 0.27 0.00 -1.08 -5.05 105.19 103.32 1spy n GLY 34 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.17 2.77 0.26 0.00 -4.36 -0.68 -4.17 121.20 113.85 1spy s ILE 36 Ca -0.07 -1.61 -0.23 0.00 -0.26 0.00 0.00 60.65 58.47 1spy s ILE 36 Cb -0.09 -3.00 -0.09 0.00 1.25 0.00 0.00 42.46 40.54 1spy s ILE 36 CO 0.01 -0.09 0.83 -0.55 0.24 0.00 0.00 174.94 175.37 1spy s SER 37 N -3.92 7.24 0.55 4.36 0.15 -1.26 -2.23 113.70 118.58 1spy s SER 37 Ca 0.41 1.64 0.26 0.00 0.70 0.00 0.00 55.95 58.96 1spy s SER 37 Cb -0.01 -2.50 1.44 0.00 -1.71 0.00 0.00 66.02 63.24 1spy s SER 37 CO 0.24 0.02 2.01 0.71 1.20 0.00 0.00 173.24 177.42 1spy h THR 38 N 2.79 0.67 0.00 6.45 1.35 -1.25 0.45 112.91 123.36 1spy h THR 38 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1spy h THR 38 Cb 1.19 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1spy h THR 38 CO 0.65 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.21 1spy n LYS 39 N -4.22 0.14 0.01 4.72 2.85 -1.26 -3.38 118.16 117.03 1spy n LYS 39 Ca 0.07 0.20 -0.19 0.00 -1.05 0.00 0.00 58.31 57.34 1spy n LYS 39 Cb 0.53 -1.70 -0.14 0.00 -0.65 0.00 0.00 35.03 33.08 1spy n LYS 39 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1spy h GLU 40 N 0.00 0.23 -0.98 -1.58 4.39 -0.48 -3.36 114.58 112.80 1spy h GLU 40 Ca 0.00 -0.40 0.33 0.00 0.34 0.00 0.00 59.36 59.63 1spy h GLU 40 Cb 0.54 0.15 -0.16 0.00 -0.10 0.00 0.00 28.75 29.18 1spy h GLU 40 CO 0.00 1.10 0.49 1.25 -1.16 0.00 0.00 179.01 180.69 1spy h LEU 41 N 0.06 0.36 -0.29 1.33 6.46 -1.51 0.90 115.31 122.63 1spy h LEU 41 Ca -0.38 0.21 0.05 0.00 -0.12 0.00 0.00 57.88 57.64 1spy h LEU 41 Cb 2.04 0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 42.09 1spy h LEU 41 CO 0.10 -0.21 -0.49 1.23 -0.62 0.00 0.00 178.44 178.45 1spy h GLY 42 N 0.23 -0.84 0.56 3.75 0.00 -1.73 1.16 103.07 106.20 1spy h GLY 42 Ca 0.73 0.62 0.06 0.00 0.00 0.00 0.00 47.33 48.75 1spy h GLY 42 CO -0.66 -0.18 0.20 1.70 0.00 0.00 0.00 176.54 177.60 1spy h LYS 43 N -0.45 0.37 -0.28 4.80 1.63 -1.06 -0.49 116.57 121.09 1spy h LYS 43 Ca 0.08 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1spy h LYS 43 Cb 0.62 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 1spy h LYS 43 CO -0.52 0.25 0.04 0.28 -3.45 0.00 0.00 179.45 176.06 1spy h VAL 44 N 0.38 1.15 0.01 2.00 2.07 -0.62 -1.13 116.25 120.13 1spy h VAL 44 Ca 0.24 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1spy h VAL 44 Cb 0.24 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1spy h VAL 44 CO -0.23 0.19 -0.01 0.24 0.02 0.00 0.00 177.57 177.79 1spy h MET 45 N 0.41 -0.02 0.00 1.57 2.86 0.29 -2.20 114.93 117.85 1spy h MET 45 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1spy h MET 45 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1spy h MET 45 CO 0.00 0.10 0.00 2.89 1.06 0.00 0.00 176.91 180.96 1spy n ARG 46 N -5.04 0.18 0.22 1.72 1.85 -0.89 -2.62 116.66 112.08 1spy n ARG 46 Ca -0.07 0.30 0.12 0.00 -1.00 0.00 0.00 57.85 57.20 1spy n ARG 46 Cb 0.09 -1.77 0.21 0.00 -1.05 0.00 0.00 32.46 29.93 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 0.00 -0.01 2.89 2.86 -0.59 -3.15 114.93 116.93 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 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1spy h MET 47 CO 0.00 0.00 -0.46 1.28 1.06 0.00 0.00 176.91 178.79 1spy n LEU 48 N -3.10 1.71 0.00 1.22 4.77 -1.04 -4.96 117.00 115.60 1spy n LEU 48 Ca 0.04 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1spy n LEU 48 Cb 0.52 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1spy n LEU 48 CO 0.34 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1spy n GLY 49 N 1.41 3.12 3.77 -0.72 0.00 -1.19 -5.07 105.19 106.51 1spy n GLY 49 Ca 0.10 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 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 4.03 -0.40 1.61 1.11 -1.15 -4.88 119.66 119.99 1spy s GLN 50 Ca 0.00 2.37 0.11 0.00 0.01 0.00 0.00 55.36 57.85 1spy s GLN 50 Cb 0.00 -2.87 0.35 0.00 -1.01 0.00 0.00 33.01 29.48 1spy s GLN 50 CO 0.00 -0.52 0.76 0.09 0.01 0.00 0.00 175.29 175.63 1spy n ASN 51 N 0.31 1.35 -3.08 5.90 3.02 -1.26 -2.43 115.26 119.07 1spy n ASN 51 Ca 0.02 -3.10 -0.17 0.00 -0.03 0.00 0.00 54.58 51.30 1spy n ASN 51 Cb 0.41 -0.61 0.13 0.00 -0.61 0.00 0.00 39.78 39.10 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 0.22 -1.66 -3.85 3.52 -0.04 -1.26 -5.05 135.00 126.89 1spy n PRO 52 Ca 0.26 -1.04 -0.29 0.00 -0.04 0.00 0.00 63.50 62.40 1spy n PRO 52 Cb 0.62 -0.86 -0.04 0.00 -0.04 0.00 0.00 33.50 33.19 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 -2.30 5.30 0.25 0.52 -1.32 -1.26 -5.00 115.64 111.84 1spy s THR 53 Ca 0.40 -0.44 0.14 0.00 -1.21 0.00 0.00 61.69 60.59 1spy s THR 53 Cb -0.03 -3.69 0.05 0.00 -1.51 0.00 0.00 72.50 67.32 1spy s THR 53 CO 0.30 -0.03 1.69 1.55 -2.21 0.00 0.00 174.62 175.92 1spy h PRO 54 N 2.47 0.00 0.00 7.08 0.13 -2.01 -2.89 132.00 136.78 1spy h PRO 54 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1spy h PRO 54 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1spy h PRO 54 CO 0.71 0.50 -0.02 0.93 -0.23 0.00 0.00 178.00 179.89 1spy h GLU 55 N 0.00 0.00 0.19 0.86 5.08 -2.01 -1.95 114.58 116.75 1spy h GLU 55 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1spy h GLU 55 Cb 0.96 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.23 1spy h GLU 55 CO 0.06 0.02 -1.43 0.93 -1.00 0.00 0.00 179.01 177.59 1spy h GLU 56 N 0.00 0.39 0.35 2.33 5.08 -1.93 -3.24 114.58 117.57 1spy h GLU 56 Ca -0.00 -0.67 -0.01 0.00 -1.00 0.00 0.00 59.36 57.68 1spy h GLU 56 Cb 0.05 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1spy h GLU 56 CO 0.00 1.31 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.96 1spy h LEU 57 N 0.11 -0.76 -0.51 1.33 4.07 -1.41 -0.64 115.31 117.50 1spy h LEU 57 Ca -0.22 0.06 0.10 0.00 0.08 0.00 0.00 57.88 57.90 1spy h LEU 57 Cb 2.08 0.25 -0.08 0.00 1.08 0.00 0.00 40.66 43.98 1spy h LEU 57 CO 0.23 -0.43 0.01 1.56 -1.08 0.00 0.00 178.44 178.73 1spy h GLN 58 N -0.64 0.13 -0.98 1.13 7.50 -1.66 0.52 115.11 121.11 1spy h GLN 58 Ca -0.03 -0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.14 1spy h GLN 58 Cb 0.57 -0.03 -0.05 0.00 0.05 0.00 0.00 27.48 28.01 1spy h GLN 58 CO -0.02 0.08 0.65 1.49 -1.50 0.00 0.00 178.83 179.53 1spy h GLU 59 N 0.13 1.23 0.29 1.46 4.22 -1.50 -2.13 114.58 118.28 1spy h GLU 59 Ca 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.61 1spy h GLU 59 Cb 0.39 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1spy h GLU 59 CO -0.42 0.82 -0.14 0.52 -2.18 0.00 0.00 179.01 177.61 1spy h MET 60 N 1.27 -0.37 -1.47 1.92 2.86 0.52 -3.20 114.93 116.46 1spy h MET 60 Ca 0.38 0.03 0.44 0.00 -2.06 0.00 0.00 59.70 58.49 1spy h MET 60 Cb -0.05 0.08 -0.09 0.00 0.06 0.00 0.00 31.60 31.60 1spy h MET 60 CO -0.11 -0.15 1.01 0.82 1.06 0.00 0.00 176.91 179.55 1spy h ILE 61 N -1.06 0.18 0.05 -1.22 2.04 0.01 -0.17 117.51 117.34 1spy h ILE 61 Ca -0.04 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1spy h ILE 61 Cb 0.39 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1spy h ILE 61 CO 0.06 0.01 -0.05 0.44 0.00 0.00 0.00 178.15 178.62 1spy h ASP 62 N 0.07 -0.13 0.56 1.72 5.19 -1.37 2.13 116.42 124.59 1spy h ASP 62 Ca 0.78 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 57.20 1spy h ASP 62 Cb 2.79 0.04 0.00 0.00 0.18 0.00 0.00 39.33 42.35 1spy h ASP 62 CO -0.19 -0.06 0.00 1.05 -3.12 0.00 0.00 179.24 176.91 1spy h GLU 63 N -0.09 0.00 0.01 3.56 4.11 -1.40 -2.51 114.58 118.25 1spy h GLU 63 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.32 1spy h GLU 63 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1spy h GLU 63 CO -0.01 0.00 -0.56 0.28 0.07 0.00 0.00 179.01 178.80 1spy h VAL 64 N 0.00 1.43 -2.04 -1.06 2.07 -0.54 -3.37 116.25 112.74 1spy h VAL 64 Ca 0.00 -2.29 -0.74 0.00 0.82 0.00 0.00 66.70 64.49 1spy h VAL 64 Cb 0.28 2.92 -0.30 0.00 -1.52 0.00 0.00 31.29 32.67 1spy h VAL 64 CO 0.00 0.50 0.67 0.47 0.02 0.00 0.00 177.57 179.24 1spy n ASP 65 N -4.50 6.85 -2.89 0.57 9.92 0.72 -4.87 116.55 122.34 1spy n ASP 65 Ca -0.19 -3.77 -0.17 0.00 -0.53 0.00 0.00 54.79 50.13 1spy n ASP 65 Cb 0.58 -0.98 -0.04 0.00 -0.64 0.00 0.00 41.12 40.05 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 -0.36 1.75 -0.54 -1.24 2.13 -0.96 -3.57 120.64 117.87 1spy n GLU 66 Ca 0.48 -1.17 0.00 0.00 0.66 0.00 0.00 57.16 57.13 1spy n GLU 66 Cb 0.31 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.78 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 3.78 0.02 -3.03 4.31 8.00 -1.26 -5.06 116.55 123.31 1spy n ASP 67 Ca 0.37 -1.79 -0.16 0.00 0.71 0.00 0.00 54.79 53.92 1spy n ASP 67 Cb 0.24 -0.16 0.02 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.02 -0.97 1.29 0.44 0.00 -1.23 -4.97 105.19 99.76 1spy n GLY 68 Ca -0.00 1.22 0.00 0.00 0.00 0.00 0.00 46.02 47.24 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 -0.23 0.00 0.00 1.61 2.88 -1.26 -5.06 113.62 111.56 1spy n SER 69 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1spy n SER 69 Cb 0.51 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.10 1.38 2.87 0.46 0.00 -1.26 -5.03 105.19 103.72 1spy n GLY 70 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 0.14 0.10 2.61 -4.23 -1.26 -0.65 115.64 110.35 1spy s THR 71 Ca 0.00 -0.02 0.05 0.00 -1.18 0.00 0.00 61.69 60.54 1spy s THR 71 Cb 0.00 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 1spy s THR 71 CO 0.00 0.07 0.02 0.68 -0.54 0.00 0.00 174.62 174.85 1spy s VAL 72 N 0.27 4.09 0.46 2.29 -7.23 -0.95 -4.91 120.40 114.43 1spy s VAL 72 Ca -0.02 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.22 1spy s VAL 72 Cb -0.05 -2.97 -0.00 0.00 0.56 0.00 0.00 36.38 33.92 1spy s VAL 72 CO -0.01 0.09 0.37 -1.81 -0.31 0.00 0.00 175.10 173.43 1spy s ASP 73 N -2.42 4.80 0.61 4.85 1.11 -1.26 -1.69 116.67 122.67 1spy s ASP 73 Ca 0.27 -0.98 0.27 0.00 0.18 0.00 0.00 52.55 52.29 1spy s ASP 73 Cb -0.11 -0.19 1.47 0.00 1.07 0.00 0.00 42.92 45.16 1spy s ASP 73 CO 0.19 -0.81 1.82 0.15 1.18 0.00 0.00 175.17 177.69 1spy h PHE 74 N 0.97 0.00 0.13 4.23 3.57 -1.97 0.22 116.94 124.09 1spy h PHE 74 Ca -0.40 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 60.82 1spy h PHE 74 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1spy h PHE 74 CO 0.69 0.00 -1.32 0.22 -2.23 0.00 0.00 178.31 175.66 1spy h ASP 75 N 0.00 0.44 0.00 0.41 1.82 -1.93 -3.24 116.42 113.92 1spy h ASP 75 Ca 0.00 -0.49 -0.07 0.00 -0.39 0.00 0.00 57.03 56.07 1spy h ASP 75 Cb 0.66 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 1spy h ASP 75 CO 0.00 1.39 -0.62 -0.33 -1.61 0.00 0.00 179.24 178.07 1spy h GLU 76 N 0.08 0.00 -0.34 0.28 4.39 -1.01 -3.19 114.58 114.78 1spy h GLU 76 Ca -0.16 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.63 1spy h GLU 76 Cb 1.99 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.63 1spy h GLU 76 CO 0.20 0.42 0.69 0.35 -1.16 0.00 0.00 179.01 179.50 1spy h PHE 77 N -1.00 0.00 0.19 4.33 3.57 -1.26 0.47 116.94 123.24 1spy h PHE 77 Ca -0.11 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.07 1spy h PHE 77 Cb 0.74 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.49 1spy h PHE 77 CO -0.04 0.00 -1.55 1.25 -2.23 0.00 0.00 178.31 175.75 1spy h LEU 78 N 0.00 0.63 0.00 0.59 5.85 -1.67 -3.25 115.31 117.46 1spy h LEU 78 Ca 0.16 -0.92 -0.04 0.00 0.84 0.00 0.00 57.88 57.92 1spy h LEU 78 Cb 1.54 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1spy h LEU 78 CO -0.00 1.71 -0.14 0.58 -0.34 0.00 0.00 178.44 180.25 1spy h VAL 79 N 0.01 1.59 -0.18 1.05 2.07 -0.21 -3.15 116.25 117.43 1spy h VAL 79 Ca -0.30 -1.92 0.05 0.00 0.82 0.00 0.00 66.70 65.35 1spy h VAL 79 Cb 2.03 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 34.63 1spy h VAL 79 CO 0.18 0.51 0.35 0.24 0.02 0.00 0.00 177.57 178.88 1spy h MET 80 N -0.64 0.00 -0.10 1.57 2.86 -0.84 0.11 114.93 117.90 1spy h MET 80 Ca -0.02 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.42 1spy h MET 80 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1spy h MET 80 CO 0.03 0.00 -0.77 0.52 1.06 0.00 0.00 176.91 177.75 1spy h MET 81 N 0.00 0.54 0.00 1.72 2.07 -1.58 -2.91 114.93 114.78 1spy h MET 81 Ca 0.08 -0.45 0.00 0.00 -2.07 0.00 0.00 59.70 57.26 1spy h MET 81 Cb 0.79 0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.61 1spy h MET 81 CO -0.00 1.08 0.00 1.33 1.07 0.00 0.00 176.91 180.39 1spy n VAL 82 N -3.86 0.08 -0.07 -2.22 0.24 0.38 -3.76 118.33 109.11 1spy n VAL 82 Ca -0.06 0.02 -0.07 0.00 -2.04 0.00 0.00 64.34 62.20 1spy n VAL 82 Cb 0.73 -0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 32.48 1spy n VAL 82 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1spy h ARG 83 N 0.00 0.00 0.00 7.34 9.65 -1.33 -3.10 114.38 126.94 1spy h ARG 83 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1spy h ARG 83 Cb 0.14 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1spy h ARG 83 CO 0.00 0.29 0.28 0.00 2.80 0.00 0.00 179.97 183.35 1spy n MET 85 N -2.80 2.77 -2.27 0.00 0.00 -1.25 -4.86 117.12 108.72 1spy n MET 85 Ca -0.02 -4.16 -0.31 0.00 0.00 0.00 0.00 57.70 53.21 1spy n MET 85 Cb 0.33 -1.97 0.01 0.00 0.00 0.00 0.00 33.22 31.60 1spy n MET 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1spy n LYS 86 N -0.35 3.23 -2.93 3.17 4.81 -0.64 -4.93 118.16 120.52 1spy n LYS 86 Ca 0.30 -4.18 -0.18 0.00 -0.87 0.00 0.00 58.31 53.38 1spy n LYS 86 Cb 0.70 -2.26 0.02 0.00 0.02 0.00 0.00 35.03 33.51 1spy n LYS 86 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1spy s ASP 87 N -2.80 5.48 0.00 3.14 1.01 -1.26 -5.06 116.67 117.18 1spy s ASP 87 Ca 0.50 -0.39 0.00 0.00 0.71 0.00 0.00 52.55 53.37 1spy s ASP 87 Cb 0.41 -0.57 0.00 0.00 1.01 0.00 0.00 42.92 43.78 1spy s ASP 87 CO -0.24 -0.94 0.40 0.47 0.21 0.00 0.00 175.17 175.07 1spy n ASP 88 N -2.02 0.00 0.00 0.27 8.00 -1.26 -5.25 116.55 116.28 1spy n ASP 88 Ca 0.09 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1spy n ASP 88 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1spy n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61