#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 -0.38 0.00 6.12 -4.77 -1.26 -5.04 116.67 111.33 1spy s ASP 2 Ca 0.00 0.62 0.00 0.00 -3.30 0.00 0.00 52.55 49.87 1spy s ASP 2 Cb 0.00 1.11 0.00 0.00 -1.09 0.00 0.00 42.92 42.94 1spy s ASP 2 CO 0.00 -0.10 0.00 0.47 0.70 0.00 0.00 175.17 176.24 1spy n ASP 3 N 3.40 0.51 0.00 2.11 8.00 -1.26 -4.91 116.55 124.41 1spy n ASP 3 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1spy n ASP 3 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1spy n ASP 3 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1spy n ILE 4 N -2.43 0.00 0.57 0.53 -5.35 -1.26 -4.62 119.36 106.79 1spy n ILE 4 Ca 0.00 -0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.54 1spy n ILE 4 Cb 0.20 0.52 0.44 0.00 -1.74 0.00 0.00 39.64 39.06 1spy n ILE 4 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1spy n TYR 5 N -1.34 0.46 -0.12 4.28 4.01 -1.26 -3.13 117.16 120.07 1spy n TYR 5 Ca 0.00 0.16 -0.12 0.00 -0.16 0.00 0.00 57.90 57.78 1spy n TYR 5 Cb 0.00 -0.77 -0.03 0.00 -0.31 0.00 0.00 39.34 38.24 1spy n TYR 5 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1spy h LYS 6 N 0.00 0.78 0.00 -0.72 1.63 -1.91 -2.86 116.57 113.49 1spy h LYS 6 Ca 0.00 -0.36 -0.05 0.00 -0.85 0.00 0.00 60.65 59.38 1spy h LYS 6 Cb 0.42 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1spy h LYS 6 CO 0.00 0.99 -0.25 0.00 -3.45 0.00 0.00 179.45 176.73 1spy h ALA 7 N 0.78 1.14 -0.65 5.00 0.00 -1.87 -2.97 119.26 120.68 1spy h ALA 7 Ca 0.07 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.89 1spy h ALA 7 Cb 0.78 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1spy h ALA 7 CO 0.06 0.32 0.08 0.00 0.00 0.00 0.00 179.25 179.71 1spy h ALA 8 N 1.75 0.73 0.19 0.00 0.00 -1.59 0.24 119.26 120.58 1spy h ALA 8 Ca -0.00 0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.76 1spy h ALA 8 Cb 0.65 0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.73 1spy h ALA 8 CO 0.03 -0.36 -1.45 0.28 0.00 0.00 0.00 179.25 177.75 1spy h VAL 9 N 0.19 1.28 0.00 0.00 2.07 -1.66 -3.22 116.25 114.92 1spy h VAL 9 Ca 0.35 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1spy h VAL 9 Cb 0.57 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1spy h VAL 9 CO -0.50 0.84 0.00 -0.08 0.02 0.00 0.00 177.57 177.86 1spy h GLU 10 N 0.11 0.00 0.00 1.57 4.57 -1.21 -2.81 114.58 116.81 1spy h GLU 10 Ca -0.23 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.77 1spy h GLU 10 Cb 2.08 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.64 1spy h GLU 10 CO 0.22 0.00 -0.99 1.96 -1.18 0.00 0.00 179.01 179.03 1spy h GLN 11 N 0.00 0.00 -6.48 1.92 4.20 -0.99 -3.46 115.11 110.29 1spy h GLN 11 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 1spy h GLN 11 Cb 0.06 0.00 0.08 0.00 0.30 0.00 0.00 27.48 27.92 1spy h GLN 11 CO 0.00 0.97 0.50 1.28 -0.67 0.00 0.00 178.83 180.90 1spy n LEU 12 N -4.47 2.50 -4.95 1.46 4.77 -1.06 -4.97 117.00 110.27 1spy n LEU 12 Ca -0.27 1.14 -0.27 0.00 -0.03 0.00 0.00 56.01 56.58 1spy n LEU 12 Cb 0.63 -1.34 0.15 0.00 -2.33 0.00 0.00 43.42 40.52 1spy n LEU 12 CO 0.21 -0.78 0.74 0.42 -1.33 0.00 0.00 177.39 176.65 1spy s THR 13 N -0.03 2.07 0.33 -5.08 -4.23 -1.26 -4.87 115.64 102.57 1spy s THR 13 Ca 0.71 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 61.02 1spy s THR 13 Cb -0.73 -2.84 0.14 0.00 1.34 0.00 0.00 72.50 70.42 1spy s THR 13 CO 0.50 0.00 1.85 -0.33 -0.54 0.00 0.00 174.62 176.10 1spy h GLU 14 N -1.14 0.52 -0.09 3.99 5.08 -1.98 -1.84 114.58 119.13 1spy h GLU 14 Ca -0.42 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 57.65 1spy h GLU 14 Cb 1.26 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1spy h GLU 14 CO 0.41 0.58 -0.68 0.93 -1.00 0.00 0.00 179.01 179.25 1spy h GLU 15 N 0.50 0.40 0.00 2.33 5.08 -2.01 -2.80 114.58 118.07 1spy h GLU 15 Ca 0.10 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1spy h GLU 15 Cb 0.38 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1spy h GLU 15 CO 0.02 0.93 0.00 1.04 -1.00 0.00 0.00 179.01 180.00 1spy n GLN 16 N -3.86 0.13 0.07 2.33 6.02 -1.01 -3.09 117.38 117.97 1spy n GLN 16 Ca -0.04 0.15 0.09 0.00 -0.01 0.00 0.00 57.00 57.20 1spy n GLN 16 Cb 0.68 -1.66 -0.05 0.00 1.02 0.00 0.00 30.24 30.22 1spy n GLN 16 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1spy n LYS 17 N -1.89 0.62 0.06 -1.09 4.81 -0.72 -4.05 118.16 115.90 1spy n LYS 17 Ca 0.06 0.06 -0.08 0.00 -0.87 0.00 0.00 58.31 57.48 1spy n LYS 17 Cb 0.35 -1.75 0.05 0.00 0.02 0.00 0.00 35.03 33.70 1spy n LYS 17 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1spy h ASN 18 N 0.00 0.39 0.10 3.14 -0.26 -1.43 -2.17 115.58 115.36 1spy h ASN 18 Ca -0.03 -0.25 -0.01 0.00 -0.56 0.00 0.00 56.30 55.45 1spy h ASN 18 Cb 1.10 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 1spy h ASN 18 CO 0.01 0.97 -0.05 -0.08 -1.06 0.00 0.00 177.43 177.21 1spy h GLU 19 N 0.23 -0.13 -0.61 0.81 4.81 -1.71 -2.36 114.58 115.62 1spy h GLU 19 Ca -0.02 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1spy h GLU 19 Cb 1.25 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1spy h GLU 19 CO 0.11 0.21 0.15 0.74 -0.73 0.00 0.00 179.01 179.50 1spy h PHE 20 N -0.50 0.97 -0.05 0.92 0.04 -1.70 -2.22 116.94 114.40 1spy h PHE 20 Ca -0.01 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 1spy h PHE 20 Cb 0.41 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1spy h PHE 20 CO 0.04 0.80 -0.07 -0.22 -0.60 0.00 0.00 178.31 178.26 1spy h LYS 21 N 0.90 0.08 0.36 1.51 3.64 -1.34 -2.51 116.57 119.20 1spy h LYS 21 Ca 0.20 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1spy h LYS 21 Cb 0.31 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1spy h LYS 21 CO -0.00 0.16 -0.17 0.00 -2.27 0.00 0.00 179.45 177.17 1spy h ALA 22 N 1.85 -0.48 0.00 5.00 0.00 -0.84 -2.42 119.26 122.37 1spy h ALA 22 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1spy h ALA 22 Cb 0.18 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1spy h ALA 22 CO 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 178.67 1spy n ALA 23 N -2.52 1.19 -0.04 0.00 0.00 -1.13 -2.38 120.51 115.64 1spy n ALA 23 Ca -0.10 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 1spy n ALA 23 Cb 0.28 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 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 0.26 0.00 0.00 3.57 -1.14 -3.32 116.94 116.31 1spy h PHE 24 Ca 0.00 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1spy h PHE 24 Cb 0.07 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1spy h PHE 24 CO 0.00 1.51 0.00 -3.47 -2.23 0.00 0.00 178.31 174.12 1spy n ASP 25 N -4.10 0.00 0.19 0.41 2.03 -0.94 -2.16 116.55 111.99 1spy n ASP 25 Ca -0.27 0.31 0.07 0.00 0.52 0.00 0.00 54.79 55.42 1spy n ASP 25 Cb 0.81 -0.37 0.29 0.00 -0.72 0.00 0.00 41.12 41.13 1spy n ASP 25 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1spy h ILE 26 N 0.00 0.71 -1.62 5.18 2.04 -1.65 -3.36 117.51 118.80 1spy h ILE 26 Ca 0.00 -1.55 -0.43 0.00 1.00 0.00 0.00 64.86 63.88 1spy h ILE 26 Cb 0.09 2.01 -0.38 0.00 -0.74 0.00 0.00 36.82 37.81 1spy h ILE 26 CO 0.00 0.33 -1.14 0.49 0.00 0.00 0.00 178.15 177.83 1spy n PHE 27 N -3.36 0.14 -0.31 1.37 3.72 -0.92 -4.88 117.46 113.22 1spy n PHE 27 Ca 0.01 -3.46 0.10 0.00 -0.05 0.00 0.00 57.45 54.05 1spy n PHE 27 Cb 0.55 -0.24 0.27 0.00 -0.94 0.00 0.00 39.48 39.11 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 0.20 1.01 1.74 -4.37 0.31 -1.24 -3.98 118.33 111.99 1spy n VAL 28 Ca 0.20 -1.00 0.09 0.00 -0.01 0.00 0.00 64.34 63.61 1spy n VAL 28 Cb 0.70 0.49 0.44 0.00 -0.91 0.00 0.00 33.84 34.57 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 1.26 0.55 -2.95 7.52 -0.00 -1.26 -4.04 117.00 118.08 1spy n LEU 29 Ca 0.20 -0.24 -0.31 0.00 -0.00 0.00 0.00 56.01 55.66 1spy n LEU 29 Cb 0.56 -0.04 -0.01 0.00 -0.00 0.00 0.00 43.42 43.94 1spy n LEU 29 CO 0.14 0.12 0.60 0.61 -0.00 0.00 0.00 177.39 178.85 1spy n GLY 30 N 0.88 5.82 0.00 1.47 0.00 -1.26 -4.99 105.19 107.11 1spy n GLY 30 Ca 0.13 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.31 0.00 -1.00 4.61 0.00 -1.25 -2.50 120.51 120.06 1spy n ALA 31 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1spy n ALA 31 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1spy n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1spy n GLU 32 N 0.00 0.00 -0.53 0.00 0.28 -1.26 -4.87 120.64 114.26 1spy n GLU 32 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1spy n GLU 32 Cb 0.00 0.00 0.20 0.00 1.43 0.00 0.00 31.44 33.07 1spy n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1spy n ASP 33 N 0.00 2.47 0.00 -1.84 -0.08 -1.26 -4.67 116.55 111.17 1spy n ASP 33 Ca 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 54.79 49.74 1spy n ASP 33 Cb 0.00 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 42.91 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 -1.09 0.00 3.14 0.27 0.00 -1.26 -5.13 105.19 101.12 1spy n GLY 34 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.77 2.82 -0.17 0.00 -4.36 -0.73 -3.85 121.20 111.14 1spy s ILE 36 Ca 0.10 -1.69 -0.25 0.00 -0.26 0.00 0.00 60.65 58.56 1spy s ILE 36 Cb 0.07 -2.97 -0.01 0.00 1.25 0.00 0.00 42.46 40.79 1spy s ILE 36 CO -0.07 -0.13 0.82 -0.55 0.24 0.00 0.00 174.94 175.26 1spy s SER 37 N -3.87 6.94 0.40 4.36 0.15 -1.04 -2.29 113.70 118.35 1spy s SER 37 Ca 0.39 1.15 0.25 0.00 0.70 0.00 0.00 55.95 58.45 1spy s SER 37 Cb -0.01 -2.45 1.36 0.00 -1.71 0.00 0.00 66.02 63.21 1spy s SER 37 CO 0.23 -0.40 1.61 0.71 1.20 0.00 0.00 173.24 176.59 1spy h THR 38 N 5.20 0.10 -0.87 6.45 1.35 -1.37 1.32 112.91 125.09 1spy h THR 38 Ca -0.29 -0.03 0.03 0.00 -0.55 0.00 0.00 66.41 65.57 1spy h THR 38 Cb 1.13 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.51 1spy h THR 38 CO 0.84 0.02 0.58 0.11 -0.25 0.00 0.00 175.52 176.81 1spy h LYS 39 N 0.09 1.09 0.00 4.72 1.57 -1.91 -1.77 116.57 120.35 1spy h LYS 39 Ca 0.82 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 59.40 1spy h LYS 39 Cb 2.37 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 34.41 1spy h LYS 39 CO -0.55 0.72 -0.79 0.93 -0.57 0.00 0.00 179.45 179.19 1spy h GLU 40 N 1.12 0.00 -1.12 3.15 5.08 0.13 -3.29 114.58 119.65 1spy h GLU 40 Ca 0.34 0.00 0.32 0.00 -1.00 0.00 0.00 59.36 59.02 1spy h GLU 40 Cb -0.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1spy h GLU 40 CO -0.09 0.57 1.11 1.25 -1.00 0.00 0.00 179.01 180.84 1spy h LEU 41 N 0.00 0.00 0.00 1.33 5.85 -0.18 -1.82 115.31 120.49 1spy h LEU 41 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1spy h LEU 41 Cb 1.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.54 1spy h LEU 41 CO 0.08 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.79 1spy n GLY 42 N -1.72 -2.29 0.41 3.75 0.00 -1.24 -2.17 105.19 101.93 1spy n GLY 42 Ca 0.25 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.47 1spy n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1spy h LYS 43 N 0.00 0.00 -0.44 1.61 2.10 -1.61 0.39 116.57 118.62 1spy h LYS 43 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 1spy h LYS 43 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1spy h LYS 43 CO 0.00 0.00 -0.17 0.28 -2.00 0.00 0.00 179.45 177.56 1spy h VAL 44 N 0.00 1.27 0.18 0.07 2.07 -1.17 -0.06 116.25 118.61 1spy h VAL 44 Ca 0.23 -1.28 -0.32 0.00 0.82 0.00 0.00 66.70 66.15 1spy h VAL 44 Cb 1.54 1.10 0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1spy h VAL 44 CO -0.00 0.44 -1.50 0.24 0.02 0.00 0.00 177.57 176.76 1spy h MET 45 N 0.75 0.39 -0.18 1.57 2.86 0.27 -2.64 114.93 117.94 1spy h MET 45 Ca 0.11 -0.66 -0.11 0.00 -2.06 0.00 0.00 59.70 56.98 1spy h MET 45 Cb 0.69 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1spy h MET 45 CO 0.05 1.30 -0.36 0.00 1.06 0.00 0.00 176.91 178.96 1spy h ARG 46 N 0.11 0.39 0.00 1.72 3.08 0.15 0.61 114.38 120.44 1spy h ARG 46 Ca -0.25 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1spy h ARG 46 Cb 2.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.12 1spy h ARG 46 CO 0.21 0.70 -0.25 0.52 -1.07 0.00 0.00 179.97 180.09 1spy h MET 47 N 0.34 0.00 0.02 0.04 2.86 -1.09 -3.31 114.93 113.78 1spy h MET 47 Ca 0.04 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.32 1spy h MET 47 Cb 0.79 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.40 1spy h MET 47 CO 0.06 0.00 -2.17 -0.11 1.06 0.00 0.00 176.91 175.75 1spy n LEU 48 N -2.65 1.23 0.00 1.22 -0.00 -1.00 -5.03 117.00 110.77 1spy n LEU 48 Ca 0.04 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1spy n LEU 48 Cb 0.49 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 1spy n LEU 48 CO 0.34 0.61 0.00 0.61 -0.00 0.00 0.00 177.39 178.96 1spy n GLY 49 N 1.84 -0.70 3.64 -3.96 0.00 0.20 -5.07 105.19 101.14 1spy n GLY 49 Ca -0.31 0.37 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 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 1.76 -2.79 1.61 3.00 -0.09 -4.66 117.38 116.20 1spy n GLN 50 Ca 0.00 0.63 -0.19 0.00 -0.01 0.00 0.00 57.00 57.43 1spy n GLN 50 Cb 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 30.24 28.01 1spy n GLN 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1spy n ASN 51 N 2.04 2.67 -3.23 1.08 6.94 -1.26 -0.27 115.26 123.23 1spy n ASN 51 Ca 0.12 -3.21 0.00 0.00 -0.02 0.00 0.00 54.58 51.47 1spy n ASN 51 Cb 0.30 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 1spy n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1spy n PRO 52 N -0.12 0.84 -4.07 -0.53 -0.04 -1.26 -5.02 135.00 124.80 1spy n PRO 52 Ca 0.24 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.48 1spy n PRO 52 Cb 0.66 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.08 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 -0.10 4.67 0.20 0.52 -4.23 -1.26 -5.02 115.64 110.42 1spy s THR 53 Ca 0.00 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.29 1spy s THR 53 Cb 0.00 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.22 1spy s THR 53 CO 0.00 -0.32 1.46 1.55 -0.54 0.00 0.00 174.62 176.77 1spy h PRO 54 N 1.51 0.20 -0.34 3.99 0.13 -2.00 -3.16 132.00 132.33 1spy h PRO 54 Ca -0.49 -0.18 -0.08 0.00 -0.87 0.00 0.00 66.00 64.38 1spy h PRO 54 Cb 1.23 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1spy h PRO 54 CO 0.61 0.87 -0.09 0.93 -0.23 0.00 0.00 178.00 180.09 1spy h GLU 55 N 0.13 0.67 -0.77 0.86 5.08 -2.00 -2.84 114.58 115.71 1spy h GLU 55 Ca -0.03 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1spy h GLU 55 Cb 1.34 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 1spy h GLU 55 CO 0.12 0.84 0.47 0.93 -1.00 0.00 0.00 179.01 180.37 1spy h GLU 56 N 0.45 1.03 0.28 2.33 4.39 -1.98 -2.71 114.58 118.38 1spy h GLU 56 Ca 0.09 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1spy h GLU 56 Cb 0.59 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1spy h GLU 56 CO 0.04 0.71 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.39 1spy h LEU 57 N 1.05 -0.32 -1.73 1.33 4.07 -1.49 -0.68 115.31 117.55 1spy h LEU 57 Ca 0.28 0.01 0.48 0.00 0.08 0.00 0.00 57.88 58.73 1spy h LEU 57 Cb -0.06 0.08 -0.10 0.00 1.08 0.00 0.00 40.66 41.66 1spy h LEU 57 CO -0.05 -0.21 1.09 -0.61 -1.08 0.00 0.00 178.44 177.58 1spy h GLN 58 N -0.42 0.04 0.04 1.13 5.75 -1.50 0.31 115.11 120.46 1spy h GLN 58 Ca -0.04 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1spy h GLN 58 Cb 0.29 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.83 1spy h GLN 58 CO 0.06 0.02 -0.02 0.93 -2.65 0.00 0.00 178.83 177.18 1spy h GLU 59 N 0.04 -0.05 0.24 1.69 4.39 -1.18 -3.20 114.58 116.50 1spy h GLU 59 Ca 0.84 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.55 1spy h GLU 59 Cb 3.04 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 31.68 1spy h GLU 59 CO -0.20 0.57 -0.30 0.52 -1.16 0.00 0.00 179.01 178.44 1spy h MET 60 N -0.76 -0.57 -1.28 2.33 2.86 0.11 -1.19 114.93 116.44 1spy h MET 60 Ca -0.01 0.04 0.40 0.00 -2.06 0.00 0.00 59.70 58.07 1spy h MET 60 Cb 0.65 0.13 -0.11 0.00 0.06 0.00 0.00 31.60 32.33 1spy h MET 60 CO 0.01 -0.38 0.84 0.82 1.06 0.00 0.00 176.91 179.27 1spy h ILE 61 N -0.59 0.23 0.00 -1.22 2.04 -1.36 1.81 117.51 118.42 1spy h ILE 61 Ca 0.00 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 1spy h ILE 61 Cb 0.56 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1spy h ILE 61 CO -0.10 0.03 -0.34 -0.78 0.00 0.00 0.00 178.15 176.96 1spy h ASP 62 N 0.15 0.00 0.08 1.72 3.58 -1.21 1.25 116.42 121.99 1spy h ASP 62 Ca 0.75 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.83 1spy h ASP 62 Cb 2.37 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 43.38 1spy h ASP 62 CO -0.33 0.34 -2.21 -0.62 -2.88 0.00 0.00 179.24 173.54 1spy n GLU 63 N -3.64 0.71 -0.05 0.28 -0.58 0.57 -3.43 120.64 114.51 1spy n GLU 63 Ca -0.01 0.21 -0.18 0.00 -0.42 0.00 0.00 57.16 56.76 1spy n GLU 63 Cb 0.45 -1.62 -0.14 0.00 -0.57 0.00 0.00 31.44 29.56 1spy n GLU 63 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1spy n VAL 64 N -3.35 1.65 -1.57 2.62 3.14 0.13 -4.34 118.33 116.61 1spy n VAL 64 Ca -0.37 -0.66 -0.26 0.00 -2.96 0.00 0.00 64.34 60.08 1spy n VAL 64 Cb 1.03 -1.48 0.08 0.00 -1.06 0.00 0.00 33.84 32.41 1spy n VAL 64 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1spy n ASP 65 N -3.32 5.78 -0.33 6.55 8.00 0.42 -4.73 116.55 128.92 1spy n ASP 65 Ca -0.35 -3.77 0.33 0.00 0.71 0.00 0.00 54.79 51.72 1spy n ASP 65 Cb 1.04 -0.71 0.71 0.00 -0.02 0.00 0.00 41.12 42.13 1spy n ASP 65 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1spy h GLU 66 N 1.85 0.07 -0.14 -1.24 4.11 -1.22 0.42 114.58 118.44 1spy h GLU 66 Ca 0.48 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.88 1spy h GLU 66 Cb 1.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1spy h GLU 66 CO 1.12 0.05 -0.05 -0.25 0.07 0.00 0.00 179.01 179.95 1spy n ASP 67 N -4.27 2.90 -0.04 3.06 8.00 -1.26 -4.59 116.55 120.34 1spy n ASP 67 Ca 0.26 -3.22 0.10 0.00 0.71 0.00 0.00 54.79 52.65 1spy n ASP 67 Cb 1.20 -0.51 0.60 0.00 -0.02 0.00 0.00 41.12 42.39 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 -1.02 -0.90 2.76 0.44 0.00 0.15 -4.84 105.19 101.78 1spy n GLY 68 Ca 0.21 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.73 -5.56 0.00 1.61 2.88 -1.26 -0.40 113.62 110.16 1spy n SER 69 Ca 0.16 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1spy n SER 69 Cb 0.09 -4.02 0.00 0.00 -0.75 0.00 0.00 64.21 59.53 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 0.32 0.54 2.84 0.46 0.00 -1.26 -5.02 105.19 103.07 1spy n GLY 70 Ca -0.10 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 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 0.10 0.17 2.61 -4.23 0.47 -1.01 115.64 111.75 1spy s THR 71 Ca 0.00 0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.61 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 0.08 0.09 0.68 -0.54 0.00 0.00 174.62 174.93 1spy s VAL 72 N 0.54 4.23 0.36 2.29 -7.23 -0.97 -4.75 120.40 114.87 1spy s VAL 72 Ca -0.05 -1.21 0.08 0.00 -1.81 0.00 0.00 61.98 58.99 1spy s VAL 72 Cb -0.08 -3.15 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 1spy s VAL 72 CO -0.01 -0.12 0.07 1.51 -0.31 0.00 0.00 175.10 176.24 1spy s ASP 73 N -3.08 4.29 0.63 4.85 -4.77 -1.26 -1.77 116.67 115.56 1spy s ASP 73 Ca 0.30 -1.00 0.23 0.00 -3.30 0.00 0.00 52.55 48.78 1spy s ASP 73 Cb -0.10 -0.54 1.11 0.00 -1.09 0.00 0.00 42.92 42.30 1spy s ASP 73 CO 0.22 -0.32 1.60 0.15 0.70 0.00 0.00 175.17 177.52 1spy h PHE 74 N 1.69 0.00 0.01 2.11 3.57 -1.99 0.25 116.94 122.58 1spy h PHE 74 Ca -0.43 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 60.93 1spy h PHE 74 Cb 1.25 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.00 1spy h PHE 74 CO 0.68 0.00 -0.56 0.22 -2.23 0.00 0.00 178.31 176.42 1spy h ASP 75 N 0.00 0.47 0.00 0.41 1.82 -1.95 -3.22 116.42 113.95 1spy h ASP 75 Ca 0.16 -0.78 -0.04 0.00 -0.39 0.00 0.00 57.03 55.98 1spy h ASP 75 Cb 1.52 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.38 1spy h ASP 75 CO -0.00 1.20 -0.21 -0.33 -1.61 0.00 0.00 179.24 178.28 1spy h GLU 76 N -0.20 0.00 -1.21 0.28 4.39 -0.98 -2.93 114.58 113.93 1spy h GLU 76 Ca -0.07 0.00 0.35 0.00 0.34 0.00 0.00 59.36 59.98 1spy h GLU 76 Cb 1.29 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.89 1spy h GLU 76 CO 0.11 0.92 0.93 0.35 -1.16 0.00 0.00 179.01 180.16 1spy h PHE 77 N -1.00 0.00 0.14 4.33 3.57 -1.15 0.36 116.94 123.20 1spy h PHE 77 Ca -0.06 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.11 1spy h PHE 77 Cb 0.97 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1spy h PHE 77 CO 0.22 0.00 -1.73 1.25 -2.23 0.00 0.00 178.31 175.82 1spy h LEU 78 N 0.00 0.47 -1.23 0.59 5.85 -1.64 -3.31 115.31 116.04 1spy h LEU 78 Ca 0.57 -0.76 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1spy h LEU 78 Cb 2.43 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 43.29 1spy h LEU 78 CO -0.01 1.65 0.17 0.58 -0.34 0.00 0.00 178.44 180.49 1spy h VAL 79 N 0.08 1.19 0.00 1.05 2.07 -0.17 -1.20 116.25 119.27 1spy h VAL 79 Ca -0.33 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1spy h VAL 79 Cb 2.06 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1spy h VAL 79 CO 0.15 0.24 -0.15 0.24 0.02 0.00 0.00 177.57 178.06 1spy h MET 80 N 0.69 0.00 0.07 1.57 2.86 -1.19 -2.80 114.93 116.12 1spy h MET 80 Ca 0.16 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1spy h MET 80 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1spy h MET 80 CO -0.01 0.15 -0.03 0.52 1.06 0.00 0.00 176.91 178.60 1spy h MET 81 N 0.00 -0.09 -1.12 1.72 2.07 -1.31 -1.48 114.93 114.72 1spy h MET 81 Ca -0.00 0.01 0.33 0.00 -2.07 0.00 0.00 59.70 57.96 1spy h MET 81 Cb 0.39 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.10 1spy h MET 81 CO 0.02 -0.03 0.90 -0.39 1.07 0.00 0.00 176.91 178.48 1spy h VAL 82 N -1.02 0.30 0.05 -2.22 -1.51 -1.45 0.72 116.25 111.10 1spy h VAL 82 Ca -0.01 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 65.17 1spy h VAL 82 Cb 0.10 0.35 -0.03 0.00 -2.13 0.00 0.00 31.29 29.57 1spy h VAL 82 CO 0.02 0.00 -1.56 -0.09 -1.23 0.00 0.00 177.57 174.70 1spy h ARG 83 N 0.00 0.10 -0.00 5.19 2.43 -1.55 -3.29 114.38 117.25 1spy h ARG 83 Ca 0.53 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1spy h ARG 83 Cb 2.33 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.94 1spy h ARG 83 CO -0.01 0.83 -0.02 0.00 -1.51 0.00 0.00 179.97 179.26 1spy n MET 85 N -0.78 1.71 0.00 0.00 2.81 0.28 -4.87 117.12 116.27 1spy n MET 85 Ca 0.20 -1.48 0.00 0.00 -1.81 0.00 0.00 57.70 54.62 1spy n MET 85 Cb 0.21 -2.54 0.00 0.00 -0.71 0.00 0.00 33.22 30.17 1spy n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1spy n LYS 86 N 5.11 0.00 -0.94 0.03 4.76 -1.26 -4.84 118.16 121.02 1spy n LYS 86 Ca 0.42 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.85 1spy n LYS 86 Cb 0.20 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.39 1spy n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1spy n ASP 87 N -3.34 0.10 -0.56 4.39 8.00 -1.26 -4.99 116.55 118.90 1spy n ASP 87 Ca 0.00 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1spy n ASP 87 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1spy n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1spy n ASP 88 N -2.98 0.04 -0.66 -2.24 5.75 -1.26 -5.19 116.55 110.02 1spy n ASP 88 Ca 0.01 -1.85 0.08 0.00 -0.01 0.00 0.00 54.79 53.02 1spy n ASP 88 Cb 0.03 -0.17 0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1spy n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85