#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 1.51 -4.43 6.12 5.68 -1.26 -5.08 116.55 119.09 1spy n ASP 2 Ca 0.00 -3.24 -0.43 0.00 -0.50 0.00 0.00 54.79 50.62 1spy n ASP 2 Cb 0.00 -0.44 -0.00 0.00 -1.14 0.00 0.00 41.12 39.53 1spy n ASP 2 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1spy n ASP 3 N -0.67 -1.08 -0.00 -1.12 5.68 -1.26 -4.90 116.55 113.20 1spy n ASP 3 Ca 0.14 0.95 0.01 0.00 -0.50 0.00 0.00 54.79 55.39 1spy n ASP 3 Cb 0.81 -1.07 -0.01 0.00 -1.14 0.00 0.00 41.12 39.71 1spy n ASP 3 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1spy n ILE 4 N -0.68 0.00 0.30 2.12 -5.35 -1.26 -4.59 119.36 109.90 1spy n ILE 4 Ca 0.12 -0.04 0.19 0.00 -0.27 0.00 0.00 62.75 62.75 1spy n ILE 4 Cb 0.37 0.46 0.91 0.00 -1.74 0.00 0.00 39.64 39.64 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 0.00 4.28 0.05 -2.02 -2.31 116.97 116.96 1spy h TYR 5 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1spy h TYR 5 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1spy h TYR 5 CO 0.00 0.03 0.13 1.57 -1.05 0.00 0.00 178.16 178.84 1spy h LYS 6 N 0.00 0.00 0.00 4.88 5.09 -1.97 0.52 116.57 125.09 1spy h LYS 6 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.57 1spy h LYS 6 Cb 0.27 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.57 1spy h LYS 6 CO 0.00 0.00 -0.81 0.00 -2.09 0.00 0.00 179.45 176.55 1spy h ALA 7 N 1.71 0.66 0.17 0.07 0.00 -1.76 -3.05 119.26 117.07 1spy h ALA 7 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1spy h ALA 7 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1spy h ALA 7 CO 0.00 1.00 -0.08 0.00 0.00 0.00 0.00 179.25 180.17 1spy h ALA 8 N 1.18 -0.23 0.01 0.00 0.00 -1.09 -0.12 119.26 119.02 1spy h ALA 8 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1spy h ALA 8 Cb 1.43 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1spy h ALA 8 CO 0.11 -0.57 -0.01 0.28 0.00 0.00 0.00 179.25 179.05 1spy h VAL 9 N -0.35 0.97 -0.76 0.00 2.07 -1.64 -2.66 116.25 113.88 1spy h VAL 9 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1spy h VAL 9 Cb 0.28 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1spy h VAL 9 CO 0.04 0.00 0.46 -0.33 0.02 0.00 0.00 177.57 177.76 1spy h GLU 10 N -0.03 0.82 -0.44 1.57 5.08 -1.47 -0.20 114.58 119.90 1spy h GLU 10 Ca 0.00 -0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1spy h GLU 10 Cb 0.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1spy h GLU 10 CO -0.00 0.54 0.47 1.96 -1.00 0.00 0.00 179.01 180.98 1spy h GLN 11 N 0.85 0.00 -7.30 2.33 1.08 -0.65 -3.41 115.11 108.01 1spy h GLN 11 Ca 0.33 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 57.03 1spy h GLN 11 Cb 0.15 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 27.66 1spy h GLN 11 CO -0.17 0.00 0.38 -0.51 -0.95 0.00 0.00 178.83 177.59 1spy s LEU 12 N -7.46 3.28 0.30 1.46 1.43 -0.09 -5.07 118.68 112.53 1spy s LEU 12 Ca -0.04 1.61 0.09 0.00 -1.03 0.00 0.00 54.13 54.76 1spy s LEU 12 Cb 0.16 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 1spy s LEU 12 CO 0.56 -1.18 0.09 0.42 0.23 0.00 0.00 176.35 176.47 1spy s THR 13 N -2.90 3.41 0.22 5.49 -4.23 -1.26 -4.93 115.64 111.44 1spy s THR 13 Ca 0.59 -1.74 -0.09 0.00 -1.18 0.00 0.00 61.69 59.27 1spy s THR 13 Cb -0.13 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 70.90 1spy s THR 13 CO 0.48 -0.28 1.70 -0.08 -0.54 0.00 0.00 174.62 175.89 1spy h GLU 14 N 1.67 0.24 -0.11 3.99 4.81 -1.97 0.58 114.58 123.79 1spy h GLU 14 Ca -0.45 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 1spy h GLU 14 Cb 1.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1spy h GLU 14 CO 0.62 0.16 -0.26 0.93 -0.73 0.00 0.00 179.01 179.73 1spy h GLU 15 N 0.25 0.20 0.00 1.92 4.39 -2.00 -0.28 114.58 119.06 1spy h GLU 15 Ca 0.34 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 1spy h GLU 15 Cb 0.53 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1spy h GLU 15 CO -0.44 0.45 -0.53 0.37 -1.16 0.00 0.00 179.01 177.69 1spy h GLN 16 N 0.18 0.00 0.03 2.33 5.75 -1.33 -3.34 115.11 118.73 1spy h GLN 16 Ca 0.03 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.22 1spy h GLN 16 Cb 0.56 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.07 1spy h GLN 16 CO 0.04 0.04 -1.77 1.63 -2.65 0.00 0.00 178.83 176.13 1spy n LYS 17 N -2.91 0.66 0.32 1.69 5.02 0.18 -3.93 118.16 119.19 1spy n LYS 17 Ca 0.01 0.29 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 1spy n LYS 17 Cb 0.57 -1.78 0.67 0.00 -0.02 0.00 0.00 35.03 34.47 1spy n LYS 17 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1spy h ASN 18 N 0.02 0.00 0.10 4.39 7.08 -1.17 0.20 115.58 126.18 1spy h ASN 18 Ca -0.31 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 52.75 1spy h ASN 18 Cb 2.02 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 38.25 1spy h ASN 18 CO 0.08 0.00 -0.58 -0.08 -2.08 0.00 0.00 177.43 174.77 1spy h GLU 19 N 0.00 0.49 0.08 4.14 4.57 -1.76 -3.17 114.58 118.93 1spy h GLU 19 Ca 0.00 -0.32 -0.25 0.00 -1.18 0.00 0.00 59.36 57.60 1spy h GLU 19 Cb 0.82 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1spy h GLU 19 CO 0.00 0.93 -1.16 0.74 -1.18 0.00 0.00 179.01 178.34 1spy h PHE 20 N 0.37 0.30 0.22 0.92 0.04 -0.85 -3.16 116.94 114.79 1spy h PHE 20 Ca 0.00 -0.22 0.01 0.00 2.80 0.00 0.00 57.97 60.56 1spy h PHE 20 Cb 1.12 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 1spy h PHE 20 CO 0.04 1.17 -0.31 -0.22 -0.60 0.00 0.00 178.31 178.39 1spy h LYS 21 N 0.05 -0.58 0.00 1.51 3.64 -1.49 1.14 116.57 120.83 1spy h LYS 21 Ca -0.09 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1spy h LYS 21 Cb 1.90 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 1spy h LYS 21 CO 0.17 -0.39 0.00 0.00 -2.27 0.00 0.00 179.45 176.97 1spy n ALA 22 N -2.65 1.85 0.40 5.00 0.00 -1.20 -1.32 120.51 122.59 1spy n ALA 22 Ca -0.08 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.36 1spy n ALA 22 Cb 0.33 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.32 3.31 -0.10 0.00 0.00 0.04 -4.35 120.51 118.10 1spy n ALA 23 Ca 0.07 -0.37 -0.16 0.00 0.00 0.00 0.00 53.44 52.98 1spy n ALA 23 Cb 0.14 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.57 0.00 0.30 0.00 -0.00 0.37 -4.42 117.46 112.14 1spy n PHE 24 Ca 0.01 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.64 1spy n PHE 24 Cb 0.27 -0.76 0.92 0.00 -0.00 0.00 0.00 39.48 39.91 1spy n PHE 24 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1spy h ASP 25 N -0.16 0.00 0.00 -2.13 3.58 -1.39 -1.34 116.42 114.98 1spy h ASP 25 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1spy h ASP 25 Cb 1.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.69 1spy h ASP 25 CO -0.12 0.03 0.00 -0.38 -2.88 0.00 0.00 179.24 175.89 1spy n ILE 26 N -3.24 0.00 -0.65 2.25 5.41 -1.26 -2.99 119.36 118.87 1spy n ILE 26 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.77 1spy n ILE 26 Cb 0.19 -0.50 0.05 0.00 -0.71 0.00 0.00 39.64 38.67 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 -0.94 0.00 0.08 1.39 3.01 -0.51 -4.69 117.46 115.81 1spy n PHE 27 Ca 0.19 -0.55 0.01 0.00 1.01 0.00 0.00 57.45 58.11 1spy n PHE 27 Cb 0.09 -0.08 0.18 0.00 -0.01 0.00 0.00 39.48 39.66 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 -0.70 1.41 -1.52 -4.37 0.31 -1.16 -4.18 118.33 108.13 1spy n VAL 28 Ca 0.05 -0.69 -0.37 0.00 -0.01 0.00 0.00 64.34 63.31 1spy n VAL 28 Cb 0.45 -0.45 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 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 0.22 0.81 -2.56 7.52 -0.00 -1.26 -2.93 117.00 118.78 1spy n LEU 29 Ca 0.15 -0.13 -0.01 0.00 -0.00 0.00 0.00 56.01 56.01 1spy n LEU 29 Cb 0.75 -1.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1spy n LEU 29 CO 0.17 -1.09 -0.33 0.61 -0.00 0.00 0.00 177.39 176.76 1spy n GLY 30 N 6.30 -3.51 2.71 1.47 0.00 -1.26 -4.99 105.19 105.91 1spy n GLY 30 Ca 0.57 0.51 -0.04 0.00 0.00 0.00 0.00 46.02 47.06 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 0.41 -2.91 0.00 4.61 0.00 -1.15 -4.97 120.51 116.49 1spy n ALA 31 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1spy n ALA 31 Cb 0.08 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.02 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 2.47 0.00 0.00 0.00 4.71 -1.26 -2.94 120.64 123.62 1spy n GLU 32 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1spy n GLU 32 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.06 1spy n GLU 32 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1spy n ASP 33 N 0.22 0.00 -2.52 1.62 8.00 -1.26 -4.99 116.55 117.62 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 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.58 1.63 3.36 0.44 0.00 -1.22 -5.02 105.19 103.81 1spy n GLY 34 Ca 0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.57 2.53 0.20 0.00 -4.36 -0.63 -4.22 121.20 113.16 1spy s ILE 36 Ca 0.15 -2.30 -0.30 0.00 -0.26 0.00 0.00 60.65 57.94 1spy s ILE 36 Cb -0.08 -2.45 -0.08 0.00 1.25 0.00 0.00 42.46 41.10 1spy s ILE 36 CO 0.07 -0.35 0.96 -0.44 0.24 0.00 0.00 174.94 175.43 1spy s SER 37 N -3.56 7.56 0.52 4.36 0.01 -1.26 -1.84 113.70 119.50 1spy s SER 37 Ca 0.31 1.92 0.30 0.00 1.31 0.00 0.00 55.95 59.79 1spy s SER 37 Cb -0.03 -2.60 1.43 0.00 0.21 0.00 0.00 66.02 65.02 1spy s SER 37 CO 0.16 0.05 1.88 0.71 0.41 0.00 0.00 173.24 176.45 1spy h THR 38 N 3.47 0.57 0.00 1.44 1.35 -0.89 0.86 112.91 119.71 1spy h THR 38 Ca -0.44 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1spy h THR 38 Cb 1.20 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1spy h THR 38 CO 0.69 0.01 0.00 0.11 -0.25 0.00 0.00 175.52 176.08 1spy h LYS 39 N 0.05 0.00 0.18 4.72 1.57 -1.91 -3.22 116.57 117.97 1spy h LYS 39 Ca 0.43 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.88 1spy h LYS 39 Cb 1.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.96 1spy h LYS 39 CO -0.03 0.00 -1.59 0.93 -0.57 0.00 0.00 179.45 178.19 1spy h GLU 40 N 0.00 0.39 -0.97 3.15 4.39 0.37 -3.33 114.58 118.58 1spy h GLU 40 Ca 0.00 -0.67 0.32 0.00 0.34 0.00 0.00 59.36 59.35 1spy h GLU 40 Cb 0.77 0.25 -0.16 0.00 -0.10 0.00 0.00 28.75 29.51 1spy h GLU 40 CO 0.00 1.30 0.42 1.25 -1.16 0.00 0.00 179.01 180.82 1spy h LEU 41 N 0.11 0.23 -0.87 1.33 6.46 -1.45 0.49 115.31 121.60 1spy h LEU 41 Ca -0.28 0.22 0.23 0.00 -0.12 0.00 0.00 57.88 57.93 1spy h LEU 41 Cb 2.09 0.25 -0.15 0.00 -0.73 0.00 0.00 40.66 42.12 1spy h LEU 41 CO 0.20 -0.25 0.14 1.23 -0.62 0.00 0.00 178.44 179.14 1spy h GLY 42 N 0.17 1.23 2.00 3.75 0.00 -1.72 1.86 103.07 110.36 1spy h GLY 42 Ca 0.71 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 48.06 1spy h GLY 42 CO -0.70 -0.39 -0.11 0.50 0.00 0.00 0.00 176.54 175.84 1spy h LYS 43 N 0.13 0.00 0.03 4.80 1.79 -0.25 -2.83 116.57 120.26 1spy h LYS 43 Ca 0.53 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.76 1spy h LYS 43 Cb 1.07 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 1spy h LYS 43 CO -0.72 0.11 -1.17 0.28 -1.08 0.00 0.00 179.45 176.87 1spy h VAL 44 N 0.00 1.53 -0.03 0.50 2.07 0.29 -2.89 116.25 117.73 1spy h VAL 44 Ca -0.00 -3.22 -0.23 0.00 0.82 0.00 0.00 66.70 64.07 1spy h VAL 44 Cb 0.76 2.81 0.02 0.00 -1.52 0.00 0.00 31.29 33.36 1spy h VAL 44 CO 0.01 0.89 -0.86 0.24 0.02 0.00 0.00 177.57 177.88 1spy h MET 45 N 0.02 0.63 0.00 1.57 2.86 -0.23 -3.12 114.93 116.66 1spy h MET 45 Ca -0.08 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 56.91 1spy h MET 45 Cb 1.86 0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.69 1spy h MET 45 CO 0.14 1.25 0.00 2.89 1.06 0.00 0.00 176.91 182.25 1spy n ARG 46 N -3.98 0.16 0.14 1.72 -4.01 -1.08 -2.21 116.66 107.39 1spy n ARG 46 Ca -0.10 0.04 0.02 0.00 -1.04 0.00 0.00 57.85 56.78 1spy n ARG 46 Cb 0.79 -1.50 0.02 0.00 -3.04 0.00 0.00 32.46 28.74 1spy n ARG 46 CO 0.00 0.00 0.00 0.52 -3.04 0.00 0.00 177.63 175.11 1spy h MET 47 N 0.00 0.00 0.00 2.89 2.86 -1.44 -3.29 114.93 115.95 1spy h MET 47 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1spy h MET 47 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1spy h MET 47 CO 0.00 0.49 -1.92 1.28 1.06 0.00 0.00 176.91 177.82 1spy n LEU 48 N -3.21 0.10 0.00 1.22 4.32 -1.17 -4.98 117.00 113.27 1spy n LEU 48 Ca 0.02 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 1spy n LEU 48 Cb 0.74 0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.57 1spy n LEU 48 CO 0.41 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 1spy n GLY 49 N 1.29 2.38 3.66 -0.72 0.00 -1.16 -5.10 105.19 105.54 1spy n GLY 49 Ca -0.06 -0.39 -0.48 0.00 0.00 0.00 0.00 46.02 45.09 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 1.90 -3.10 1.61 3.00 -0.94 -4.87 117.38 114.99 1spy n GLN 50 Ca 0.00 0.69 -0.22 0.00 -0.01 0.00 0.00 57.00 57.46 1spy n GLN 50 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 30.24 27.76 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 3.95 2.35 -3.16 1.08 0.23 -1.26 -3.12 115.26 115.33 1spy n ASN 51 Ca 0.19 -3.28 0.00 0.00 -0.53 0.00 0.00 54.58 50.95 1spy n ASN 51 Cb 0.26 -0.60 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 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 0.12 0.72 -4.22 -0.53 -0.04 -1.26 -5.06 135.00 124.73 1spy n PRO 52 Ca 0.27 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.45 1spy n PRO 52 Cb 0.54 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.17 3.51 0.08 0.52 -1.32 -1.26 -5.03 115.64 111.96 1spy s THR 53 Ca 0.00 -1.34 -0.15 0.00 -1.21 0.00 0.00 61.69 58.98 1spy s THR 53 Cb 0.00 -2.69 -0.15 0.00 -1.51 0.00 0.00 72.50 68.15 1spy s THR 53 CO 0.00 0.02 1.30 1.55 -2.21 0.00 0.00 174.62 175.27 1spy h PRO 54 N 3.23 0.67 -0.13 7.08 0.13 -2.00 -3.00 132.00 137.97 1spy h PRO 54 Ca -0.48 -0.50 0.04 0.00 -0.87 0.00 0.00 66.00 64.19 1spy h PRO 54 Cb 1.18 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1spy h PRO 54 CO 0.55 1.12 0.45 0.93 -0.23 0.00 0.00 178.00 180.82 1spy h GLU 55 N 0.35 0.00 0.00 0.86 5.08 -2.02 -1.82 114.58 117.04 1spy h GLU 55 Ca -0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1spy h GLU 55 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1spy h GLU 55 CO 0.12 0.00 -1.16 0.39 -1.00 0.00 0.00 179.01 177.36 1spy n GLU 56 N -3.06 0.55 -0.29 2.33 -0.58 -1.14 -3.94 120.64 114.51 1spy n GLU 56 Ca 0.01 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 1spy n GLU 56 Cb 0.54 -1.74 0.07 0.00 -0.57 0.00 0.00 31.44 29.74 1spy n GLU 56 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1spy h LEU 57 N -1.00 -1.00 -0.51 -4.62 3.38 -1.21 0.29 115.31 110.63 1spy h LEU 57 Ca -0.30 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1spy h LEU 57 Cb 1.19 0.58 -0.08 0.00 0.09 0.00 0.00 40.66 42.43 1spy h LEU 57 CO -0.18 -0.28 0.06 -0.61 0.09 0.00 0.00 178.44 177.51 1spy h GLN 58 N -0.04 0.18 -0.50 1.13 -0.00 -1.69 0.23 115.11 114.41 1spy h GLN 58 Ca 0.35 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 59.00 1spy h GLN 58 Cb 0.59 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.00 1spy h GLN 58 CO -0.84 0.12 0.33 1.49 0.00 0.00 0.00 178.83 179.94 1spy h GLU 59 N 0.18 0.61 -0.02 1.69 4.81 -0.61 -2.43 114.58 118.81 1spy h GLU 59 Ca 0.26 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1spy h GLU 59 Cb 0.38 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.63 1spy h GLU 59 CO -0.38 0.40 -0.35 0.52 -0.73 0.00 0.00 179.01 178.48 1spy h MET 60 N 0.63 0.28 -0.42 1.92 2.86 0.35 -3.15 114.93 117.40 1spy h MET 60 Ca 0.19 -0.27 0.12 0.00 -2.06 0.00 0.00 59.70 57.69 1spy h MET 60 Cb 0.01 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1spy h MET 60 CO -0.05 0.95 0.35 0.82 1.06 0.00 0.00 176.91 180.05 1spy h ILE 61 N -0.29 0.58 0.72 -1.22 2.04 -0.32 0.59 117.51 119.60 1spy h ILE 61 Ca -0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1spy h ILE 61 Cb 1.05 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1spy h ILE 61 CO 0.07 0.00 -0.34 -0.78 0.00 0.00 0.00 178.15 177.10 1spy h ASP 62 N 0.00 -0.82 1.25 1.72 3.58 -1.40 0.34 116.42 121.10 1spy h ASP 62 Ca 0.20 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1spy h ASP 62 Cb 0.90 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1spy h ASP 62 CO -0.00 -0.54 -0.06 -0.62 -2.88 0.00 0.00 179.24 175.14 1spy n GLU 63 N -4.82 0.17 -0.06 0.28 1.02 -0.99 -3.84 120.64 112.41 1spy n GLU 63 Ca -0.12 0.13 -0.20 0.00 -0.02 0.00 0.00 57.16 56.95 1spy n GLU 63 Cb 0.38 -1.69 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 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 1.13 -2.34 2.62 2.07 0.24 -3.40 116.25 116.58 1spy h VAL 64 Ca 0.00 -2.29 -0.76 0.00 0.82 0.00 0.00 66.70 64.47 1spy h VAL 64 Cb 0.66 2.64 -0.20 0.00 -1.52 0.00 0.00 31.29 32.86 1spy h VAL 64 CO 0.00 0.52 1.28 -0.67 0.02 0.00 0.00 177.57 178.71 1spy n ASP 65 N -4.28 5.35 0.17 0.57 -0.08 0.12 -4.80 116.55 113.59 1spy n ASP 65 Ca -0.25 -3.05 0.14 0.00 -1.51 0.00 0.00 54.79 50.11 1spy n ASP 65 Cb 0.72 -1.49 0.69 0.00 2.34 0.00 0.00 41.12 43.38 1spy n ASP 65 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1spy h GLU 66 N 6.62 0.00 -0.59 -0.67 4.39 -1.78 -0.97 114.58 121.58 1spy h GLU 66 Ca 0.30 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.09 1spy h GLU 66 Cb 0.80 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 1spy h GLU 66 CO 1.29 0.00 0.39 -0.44 -1.16 0.00 0.00 179.01 179.09 1spy h ASP 67 N 0.00 0.39 -0.36 1.42 3.32 -1.93 -3.45 116.42 115.80 1spy h ASP 67 Ca 0.10 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1spy h ASP 67 Cb 0.40 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1spy h ASP 67 CO -0.00 0.24 -0.09 0.61 -1.72 0.00 0.00 179.24 178.28 1spy n GLY 68 N -1.51 0.46 1.27 2.75 0.00 -0.37 -4.91 105.19 102.88 1spy n GLY 68 Ca 0.09 -0.81 0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 1.31 3.70 -1.65 1.61 7.64 -1.26 -4.90 113.62 120.06 1spy n SER 69 Ca -0.04 -2.07 -0.17 0.00 1.01 0.00 0.00 58.87 57.60 1spy n SER 69 Cb 0.32 -0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.46 1.19 3.01 0.23 0.00 -1.26 -4.92 105.19 104.90 1spy n GLY 70 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.48 0.57 0.31 2.61 -4.23 -1.26 -0.13 115.64 111.03 1spy s THR 71 Ca 0.00 -0.50 0.09 0.00 -1.18 0.00 0.00 61.69 60.09 1spy s THR 71 Cb 0.00 -0.52 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 1spy s THR 71 CO 0.00 0.02 0.08 0.68 -0.54 0.00 0.00 174.62 174.87 1spy s VAL 72 N -0.46 3.17 0.00 2.29 -7.23 -0.77 -4.91 120.40 112.50 1spy s VAL 72 Ca -0.00 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1spy s VAL 72 Cb -0.04 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1spy s VAL 72 CO 0.00 -0.25 0.00 -0.67 -0.31 0.00 0.00 175.10 173.87 1spy n ASP 73 N -1.05 1.93 0.09 4.85 2.03 -1.26 -1.60 116.55 121.55 1spy n ASP 73 Ca -0.04 -0.97 0.10 0.00 0.52 0.00 0.00 54.79 54.40 1spy n ASP 73 Cb 0.60 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 41.43 1spy n ASP 73 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1spy n PHE 74 N -0.03 0.56 -0.05 -0.67 -0.00 -1.26 -1.42 117.46 114.58 1spy n PHE 74 Ca 0.00 0.23 -0.21 0.00 -0.00 0.00 0.00 57.45 57.47 1spy n PHE 74 Cb 0.00 -0.87 -0.13 0.00 -0.00 0.00 0.00 39.48 38.48 1spy n PHE 74 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1spy h ASP 75 N 0.00 0.17 0.02 -2.13 3.58 -1.96 -3.34 116.42 112.75 1spy h ASP 75 Ca 0.00 -0.73 -0.00 0.00 0.42 0.00 0.00 57.03 56.72 1spy h ASP 75 Cb 0.27 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1spy h ASP 75 CO 0.00 1.50 -0.01 -0.33 -2.88 0.00 0.00 179.24 177.52 1spy h GLU 76 N -0.67 -0.02 -0.62 0.28 5.08 -1.89 -3.19 114.58 113.54 1spy h GLU 76 Ca -0.29 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1spy h GLU 76 Cb 1.48 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.65 1spy h GLU 76 CO -0.06 0.64 -0.46 0.35 -1.00 0.00 0.00 179.01 178.48 1spy h PHE 77 N -0.71 -1.45 -0.62 4.33 3.57 -1.45 0.14 116.94 120.75 1spy h PHE 77 Ca -0.00 0.09 0.13 0.00 3.53 0.00 0.00 57.97 61.72 1spy h PHE 77 Cb 0.67 0.71 -0.11 0.00 2.79 0.00 0.00 35.95 40.01 1spy h PHE 77 CO 0.16 -0.33 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.78 1spy h LEU 78 N -0.11 -0.40 -0.29 0.59 4.07 -1.69 -0.56 115.31 116.92 1spy h LEU 78 Ca 0.10 0.17 0.06 0.00 0.08 0.00 0.00 57.88 58.29 1spy h LEU 78 Cb 0.38 0.32 -0.06 0.00 1.08 0.00 0.00 40.66 42.37 1spy h LEU 78 CO -0.65 -0.16 -0.11 0.58 -1.08 0.00 0.00 178.44 177.03 1spy h VAL 79 N 0.07 0.63 -0.48 1.22 2.07 -0.78 0.94 116.25 119.91 1spy h VAL 79 Ca 0.32 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.93 1spy h VAL 79 Cb 0.51 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1spy h VAL 79 CO -0.58 0.00 0.05 0.24 0.02 0.00 0.00 177.57 177.30 1spy h MET 80 N -0.05 0.17 -0.25 1.57 2.86 0.47 -1.78 114.93 117.92 1spy h MET 80 Ca 0.15 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.60 1spy h MET 80 Cb 0.27 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1spy h MET 80 CO -0.33 0.11 -0.55 0.52 1.06 0.00 0.00 176.91 177.73 1spy h MET 81 N 0.18 0.81 -0.91 1.72 2.07 -0.62 -3.02 114.93 115.15 1spy h MET 81 Ca 0.24 -0.54 0.22 0.00 -2.07 0.00 0.00 59.70 57.56 1spy h MET 81 Cb 0.34 0.07 -0.06 0.00 -1.87 0.00 0.00 31.60 30.09 1spy h MET 81 CO -0.36 1.17 0.61 0.28 1.07 0.00 0.00 176.91 179.69 1spy h VAL 82 N 0.57 0.63 -0.01 -2.22 2.07 0.17 -1.12 116.25 116.34 1spy h VAL 82 Ca 0.00 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1spy h VAL 82 Cb 1.16 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1spy h VAL 82 CO 0.12 0.06 -0.04 -0.09 0.02 0.00 0.00 177.57 177.63 1spy h ARG 83 N 0.31 0.05 -0.29 1.57 2.43 -1.23 -3.11 114.38 114.11 1spy h ARG 83 Ca 0.47 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.69 1spy h ARG 83 Cb 1.33 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1spy h ARG 83 CO -0.15 0.68 0.24 0.00 -1.51 0.00 0.00 179.97 179.22 1spy n MET 85 N -4.18 4.10 -1.95 0.00 0.00 -0.63 -4.83 117.12 109.64 1spy n MET 85 Ca 0.04 -4.63 -0.40 0.00 0.00 0.00 0.00 57.70 52.71 1spy n MET 85 Cb 0.39 -2.34 0.04 0.00 0.00 0.00 0.00 33.22 31.32 1spy n MET 85 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1spy n LYS 86 N -0.22 2.85 -1.56 3.17 2.85 -0.97 -4.91 118.16 119.36 1spy n LYS 86 Ca 0.40 -3.56 -0.48 0.00 -1.05 0.00 0.00 58.31 53.63 1spy n LYS 86 Cb 0.35 -2.28 -0.03 0.00 -0.65 0.00 0.00 35.03 32.42 1spy n LYS 86 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1spy n ASP 87 N -0.51 1.07 -2.73 -5.58 5.75 -1.26 -4.91 116.55 108.38 1spy n ASP 87 Ca 0.54 1.15 -0.08 0.00 -0.01 0.00 0.00 54.79 56.39 1spy n ASP 87 Cb 0.23 -1.21 0.08 0.00 -1.03 0.00 0.00 41.12 39.19 1spy n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1spy n ASP 88 N 1.75 -2.41 0.00 -1.12 -0.08 -1.26 -5.26 116.55 108.17 1spy n ASP 88 Ca 0.14 -3.38 0.00 0.00 -1.51 0.00 0.00 54.79 50.04 1spy n ASP 88 Cb 0.27 1.81 0.00 0.00 2.34 0.00 0.00 41.12 45.53 1spy n ASP 88 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78