#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 0.00 -1.22 7.83 8.00 -1.26 -4.95 116.55 124.95 1spy n ASP 2 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1spy n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1spy n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1spy n ASP 3 N -0.04 0.00 -0.05 -2.24 9.92 -1.26 -5.03 116.55 117.84 1spy n ASP 3 Ca 0.00 -0.08 0.01 0.00 -0.53 0.00 0.00 54.79 54.18 1spy n ASP 3 Cb 0.00 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.32 1spy n ASP 3 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1spy n ILE 4 N -0.11 0.68 -0.02 0.53 -5.35 -1.26 -4.44 119.36 109.38 1spy n ILE 4 Ca 0.00 -0.67 -0.09 0.00 -0.27 0.00 0.00 62.75 61.72 1spy n ILE 4 Cb 0.00 -0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 37.64 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 -0.12 -1.44 4.28 0.05 -1.99 -1.32 116.97 116.43 1spy h TYR 5 Ca -0.27 0.02 0.46 0.00 0.05 0.00 0.00 58.73 58.98 1spy h TYR 5 Cb 1.61 0.08 -0.11 0.00 1.01 0.00 0.00 36.73 39.31 1spy h TYR 5 CO 0.00 -0.09 0.97 -0.22 -1.05 0.00 0.00 178.16 177.77 1spy h LYS 6 N -0.02 0.06 -0.27 4.88 3.64 -1.99 1.53 116.57 124.40 1spy h LYS 6 Ca 0.08 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1spy h LYS 6 Cb 0.14 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1spy h LYS 6 CO -0.17 0.04 0.17 0.00 -2.27 0.00 0.00 179.45 177.22 1spy h ALA 7 N 1.46 1.80 0.06 5.00 0.00 -1.50 -2.58 119.26 123.51 1spy h ALA 7 Ca 0.82 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.73 1spy h ALA 7 Cb 2.79 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 20.42 1spy h ALA 7 CO -0.31 0.18 -0.49 0.00 0.00 0.00 0.00 179.25 178.64 1spy h ALA 8 N 1.83 -0.86 0.00 0.00 0.00 0.21 -0.51 119.26 119.93 1spy h ALA 8 Ca 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1spy h ALA 8 Cb -0.03 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1spy h ALA 8 CO -0.02 -1.06 -0.19 0.28 0.00 0.00 0.00 179.25 178.26 1spy h VAL 9 N -0.68 1.01 -0.16 0.00 2.07 -1.63 -2.03 116.25 114.83 1spy h VAL 9 Ca 0.02 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.89 1spy h VAL 9 Cb 0.72 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1spy h VAL 9 CO -0.31 0.19 0.21 -0.33 0.02 0.00 0.00 177.57 177.35 1spy h GLU 10 N 0.00 0.00 0.10 1.57 5.08 -0.70 -2.16 114.58 118.47 1spy h GLU 10 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1spy h GLU 10 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1spy h GLU 10 CO 0.03 0.00 -1.86 1.04 -1.00 0.00 0.00 179.01 177.21 1spy n GLN 11 N -3.64 0.72 -1.61 2.33 6.02 -0.77 -4.91 117.38 115.52 1spy n GLN 11 Ca 0.01 0.32 -0.40 0.00 -0.01 0.00 0.00 57.00 56.93 1spy n GLN 11 Cb 0.32 -1.72 0.03 0.00 1.02 0.00 0.00 30.24 29.90 1spy n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1spy n LEU 12 N -3.67 2.95 -4.86 1.08 4.77 -0.81 -4.99 117.00 111.46 1spy n LEU 12 Ca -0.32 0.93 -0.21 0.00 -0.03 0.00 0.00 56.01 56.37 1spy n LEU 12 Cb 0.98 -1.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1spy n LEU 12 CO 0.38 -1.71 -0.05 0.42 -1.33 0.00 0.00 177.39 175.10 1spy s THR 13 N -1.40 3.15 0.15 -5.08 -4.23 -1.26 -4.91 115.64 102.05 1spy s THR 13 Ca 0.68 -1.37 -0.17 0.00 -1.18 0.00 0.00 61.69 59.65 1spy s THR 13 Cb -0.49 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1spy s THR 13 CO 0.53 -0.10 1.80 -0.08 -0.54 0.00 0.00 174.62 176.23 1spy h GLU 14 N 1.17 0.46 -0.29 3.99 4.81 -1.96 0.85 114.58 123.60 1spy h GLU 14 Ca -0.43 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1spy h GLU 14 Cb 1.26 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1spy h GLU 14 CO 0.58 0.30 0.05 1.49 -0.73 0.00 0.00 179.01 180.70 1spy h GLU 15 N 0.47 0.43 0.00 1.92 4.81 -2.00 0.22 114.58 120.44 1spy h GLU 15 Ca 0.14 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 1spy h GLU 15 Cb -0.03 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1spy h GLU 15 CO -0.05 0.42 -1.06 0.37 -0.73 0.00 0.00 179.01 177.97 1spy h GLN 16 N 0.42 0.00 0.00 1.92 4.15 -1.77 -3.30 115.11 116.53 1spy h GLN 16 Ca 0.10 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 1spy h GLN 16 Cb 0.21 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1spy h GLN 16 CO 0.00 0.53 -0.57 0.87 -1.93 0.00 0.00 178.83 177.73 1spy h LYS 17 N 0.00 0.00 -0.48 1.69 1.57 0.13 -3.30 116.57 116.18 1spy h LYS 17 Ca -0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1spy h LYS 17 Cb 1.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.90 1spy h LYS 17 CO 0.07 0.20 0.17 -0.91 -0.57 0.00 0.00 179.45 178.41 1spy h ASN 18 N 0.00 0.64 -0.56 0.86 2.35 -0.65 -2.87 115.58 115.35 1spy h ASN 18 Ca -0.03 -0.08 0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1spy h ASN 18 Cb 1.21 -0.16 -0.11 0.00 0.05 0.00 0.00 38.32 39.30 1spy h ASN 18 CO 0.03 0.60 -0.26 -0.08 -1.65 0.00 0.00 177.43 176.07 1spy h GLU 19 N 0.69 -0.11 -0.62 0.81 4.57 -1.71 0.53 114.58 118.74 1spy h GLU 19 Ca 0.16 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1spy h GLU 19 Cb 0.18 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1spy h GLU 19 CO -0.01 -0.08 0.34 0.74 -1.18 0.00 0.00 179.01 178.82 1spy h PHE 20 N -0.12 0.85 -0.93 0.92 0.04 -1.73 -2.38 116.94 113.58 1spy h PHE 20 Ca 0.25 -0.02 0.19 0.00 2.80 0.00 0.00 57.97 61.19 1spy h PHE 20 Cb 0.51 -0.27 -0.11 0.00 2.20 0.00 0.00 35.95 38.28 1spy h PHE 20 CO -0.56 0.61 0.51 -0.22 -0.60 0.00 0.00 178.31 178.05 1spy h LYS 21 N 0.84 0.61 0.00 1.51 3.64 -0.85 2.34 116.57 124.66 1spy h LYS 21 Ca 0.22 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1spy h LYS 21 Cb 0.04 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1spy h LYS 21 CO -0.04 0.40 0.00 0.00 -2.27 0.00 0.00 179.45 177.55 1spy n ALA 22 N -2.39 2.30 0.00 5.00 0.00 -0.69 -2.65 120.51 122.08 1spy n ALA 22 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1spy n ALA 22 Cb 0.57 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.28 1.99 -0.09 0.00 0.00 0.33 -4.64 120.51 116.82 1spy n ALA 23 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 1spy n ALA 23 Cb 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.23 0.85 0.17 0.00 7.35 0.71 -4.03 117.46 121.28 1spy n PHE 24 Ca 0.00 0.31 0.12 0.00 -0.76 0.00 0.00 57.45 57.11 1spy n PHE 24 Cb 0.00 -1.09 0.62 0.00 0.35 0.00 0.00 39.48 39.35 1spy n PHE 24 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1spy h ASP 25 N -0.71 0.00 0.20 -2.13 5.19 -1.69 -0.77 116.42 116.50 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 1.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.06 1spy h ASP 25 CO -0.18 0.00 0.00 -0.38 -3.12 0.00 0.00 179.24 175.56 1spy n ILE 26 N -2.29 0.30 -2.52 0.35 5.41 -1.26 -3.09 119.36 116.25 1spy n ILE 26 Ca -0.02 0.07 0.01 0.00 1.00 0.00 0.00 62.75 63.82 1spy n ILE 26 Cb 0.04 -0.79 0.02 0.00 -0.71 0.00 0.00 39.64 38.21 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 -1.18 0.19 -1.11 1.39 3.72 -0.30 -4.87 117.46 115.30 1spy n PHE 27 Ca 0.10 -0.93 -0.11 0.00 -0.05 0.00 0.00 57.45 56.46 1spy n PHE 27 Cb 0.11 -0.00 0.27 0.00 -0.94 0.00 0.00 39.48 38.91 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 0.09 3.02 -1.51 -4.37 0.31 -1.18 -4.32 118.33 110.36 1spy n VAL 28 Ca 0.01 -1.76 -0.33 0.00 -0.01 0.00 0.00 64.34 62.25 1spy n VAL 28 Cb 1.00 -0.39 -0.16 0.00 -0.91 0.00 0.00 33.84 33.38 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 -0.48 0.02 0.00 7.52 -0.00 -1.26 -4.25 117.00 118.55 1spy n LEU 29 Ca 0.47 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1spy n LEU 29 Cb 1.47 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1spy n LEU 29 CO 0.48 -1.14 0.00 0.61 -0.00 0.00 0.00 177.39 177.35 1spy n GLY 30 N 6.16 1.75 3.12 1.47 0.00 -1.26 -4.90 105.19 111.53 1spy n GLY 30 Ca 0.63 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.75 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 9.44 -2.49 -0.18 4.61 0.00 -1.26 -3.50 120.51 127.13 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 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.45 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 -2.28 0.00 -2.66 0.00 -0.58 -1.26 -3.44 120.64 110.42 1spy n GLU 32 Ca -0.02 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1spy n GLU 32 Cb 0.54 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.43 1spy n GLU 32 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1spy s ASP 33 N -0.85 -0.06 0.00 1.62 2.15 -1.24 -5.00 116.67 113.28 1spy s ASP 33 Ca 0.00 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.93 1spy s ASP 33 Cb 0.00 0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.69 1spy s ASP 33 CO 0.00 -0.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 1spy n GLY 34 N 3.07 0.53 3.30 2.66 0.00 -1.23 -5.10 105.19 108.43 1spy n GLY 34 Ca 0.07 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.94 1.22 0.85 0.00 -4.36 0.44 -4.27 121.20 111.14 1spy s ILE 36 Ca 0.14 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.40 1spy s ILE 36 Cb 0.04 -2.78 0.10 0.00 1.25 0.00 0.00 42.46 41.07 1spy s ILE 36 CO -0.03 0.00 1.18 -0.94 0.24 0.00 0.00 174.94 175.39 1spy s SER 37 N -3.51 4.15 0.18 4.36 1.04 -1.26 -1.15 113.70 117.51 1spy s SER 37 Ca 0.36 0.77 0.03 0.00 0.48 0.00 0.00 55.95 57.58 1spy s SER 37 Cb 0.08 -1.24 0.06 0.00 0.10 0.00 0.00 66.02 65.03 1spy s SER 37 CO 0.16 -2.13 1.43 0.71 0.98 0.00 0.00 173.24 174.38 1spy h THR 38 N -1.21 1.46 -0.00 2.02 1.35 -1.76 -2.97 112.91 111.79 1spy h THR 38 Ca -0.47 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 1spy h THR 38 Cb 1.32 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 1spy h THR 38 CO 0.63 0.71 -0.06 2.29 -0.25 0.00 0.00 175.52 178.84 1spy n LYS 39 N -3.72 0.67 -0.08 4.72 2.85 -1.26 -3.85 118.16 117.49 1spy n LYS 39 Ca -0.03 -0.15 -0.21 0.00 -1.05 0.00 0.00 58.31 56.87 1spy n LYS 39 Cb 0.75 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.51 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 0.36 0.05 -0.04 -1.58 4.39 -1.90 -3.34 114.58 112.53 1spy h GLU 40 Ca 0.00 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1spy h GLU 40 Cb 0.29 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1spy h GLU 40 CO 0.00 1.04 0.24 1.37 -1.16 0.00 0.00 179.01 180.50 1spy h LEU 41 N -0.82 0.00 0.22 1.33 8.10 -1.66 -2.73 115.31 119.75 1spy h LEU 41 Ca -0.31 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.68 1spy h LEU 41 Cb 1.38 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.58 1spy h LEU 41 CO -0.13 0.00 -0.32 1.23 -4.11 0.00 0.00 178.44 175.11 1spy h GLY 42 N 0.00 -1.11 1.65 0.17 0.00 -1.70 0.29 103.07 102.36 1spy h GLY 42 Ca 0.02 0.53 0.03 0.00 0.00 0.00 0.00 47.33 47.92 1spy h GLY 42 CO -0.00 -0.34 0.14 0.50 0.00 0.00 0.00 176.54 176.84 1spy h LYS 43 N -0.57 0.00 0.00 4.80 1.57 -1.71 -0.43 116.57 120.24 1spy h LYS 43 Ca -0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 1spy h LYS 43 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1spy h LYS 43 CO -0.10 0.00 -0.86 0.28 -0.57 0.00 0.00 179.45 178.20 1spy h VAL 44 N 0.00 1.50 -0.31 0.50 2.07 -1.13 -2.05 116.25 116.84 1spy h VAL 44 Ca 0.06 -2.62 -0.05 0.00 0.82 0.00 0.00 66.70 64.91 1spy h VAL 44 Cb 0.34 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1spy h VAL 44 CO -0.00 0.76 -0.02 0.24 0.02 0.00 0.00 177.57 178.57 1spy h MET 45 N 0.10 0.55 0.00 1.57 2.86 0.12 -2.92 114.93 117.22 1spy h MET 45 Ca -0.04 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1spy h MET 45 Cb 1.49 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 1spy h MET 45 CO 0.13 0.70 -0.25 0.07 1.06 0.00 0.00 176.91 178.62 1spy h ARG 46 N 0.34 0.00 -0.95 1.72 0.11 -1.26 -3.21 114.38 111.13 1spy h ARG 46 Ca 0.08 0.00 0.20 0.00 0.10 0.00 0.00 59.98 60.36 1spy h ARG 46 Cb 0.47 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.47 1spy h ARG 46 CO 0.02 0.25 0.61 0.52 0.10 0.00 0.00 179.97 181.47 1spy h MET 47 N 0.00 0.54 0.00 0.08 2.86 -1.16 0.25 114.93 117.50 1spy h MET 47 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1spy h MET 47 Cb 1.02 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1spy h MET 47 CO 0.03 0.36 -0.73 -0.07 1.06 0.00 0.00 176.91 177.56 1spy h LEU 48 N 0.56 0.00 0.00 1.22 4.07 -1.64 -3.49 115.31 116.03 1spy h LEU 48 Ca 0.51 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.31 1spy h LEU 48 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1spy h LEU 48 CO -0.25 0.08 0.00 0.61 -1.08 0.00 0.00 178.44 177.80 1spy n GLY 49 N 1.29 2.64 3.58 0.83 0.00 0.86 -5.09 105.19 109.31 1spy n GLY 49 Ca 0.02 -0.54 -0.55 0.00 0.00 0.00 0.00 46.02 44.95 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 0.84 -3.37 1.61 1.13 -1.24 -4.65 117.38 111.71 1spy n GLN 50 Ca 0.00 0.30 -0.20 0.00 -1.94 0.00 0.00 57.00 55.17 1spy n GLN 50 Cb 0.00 -1.91 -0.08 0.00 0.11 0.00 0.00 30.24 28.35 1spy n GLN 50 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1spy s ASN 51 N 0.72 1.47 1.09 1.08 2.20 -1.26 -2.03 114.94 118.21 1spy s ASN 51 Ca 0.88 -1.82 -0.11 0.00 -0.94 0.00 0.00 52.86 50.86 1spy s ASN 51 Cb -1.06 0.34 0.16 0.00 -2.00 0.00 0.00 41.25 38.70 1spy s ASN 51 CO 0.52 -0.26 0.71 -0.81 -2.94 0.00 0.00 177.10 174.32 1spy n PRO 52 N 4.06 -1.71 -1.96 3.55 -0.04 -1.26 -4.91 135.00 132.73 1spy n PRO 52 Ca 0.13 -1.12 -0.33 0.00 -0.04 0.00 0.00 63.50 62.14 1spy n PRO 52 Cb 0.44 -0.92 0.02 0.00 -0.04 0.00 0.00 33.50 33.00 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 -2.40 3.62 0.20 0.52 -4.23 -1.26 -4.86 115.64 107.22 1spy s THR 53 Ca 0.44 0.77 0.01 0.00 -1.18 0.00 0.00 61.69 61.72 1spy s THR 53 Cb -0.03 -3.29 -0.08 0.00 1.34 0.00 0.00 72.50 70.44 1spy s THR 53 CO 0.32 -0.45 1.49 1.55 -0.54 0.00 0.00 174.62 176.99 1spy h PRO 54 N 0.33 0.36 0.00 3.99 0.13 -1.99 -0.45 132.00 134.36 1spy h PRO 54 Ca -0.47 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1spy h PRO 54 Cb 1.23 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1spy h PRO 54 CO 0.56 0.89 -0.05 0.93 -0.23 0.00 0.00 178.00 180.11 1spy h GLU 55 N 0.25 0.00 0.00 0.86 5.08 -2.01 -3.26 114.58 115.51 1spy h GLU 55 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1spy h GLU 55 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1spy h GLU 55 CO 0.11 0.00 -0.74 0.39 -1.00 0.00 0.00 179.01 177.77 1spy n GLU 56 N -2.91 0.48 -0.41 2.33 -0.58 -1.15 -3.27 120.64 115.13 1spy n GLU 56 Ca 0.04 0.52 0.34 0.00 -0.42 0.00 0.00 57.16 57.64 1spy n GLU 56 Cb 0.51 -1.69 0.61 0.00 -0.57 0.00 0.00 31.44 30.30 1spy n GLU 56 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1spy h LEU 57 N -1.00 0.30 0.09 -4.62 7.12 -1.23 0.15 115.31 116.11 1spy h LEU 57 Ca -0.10 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.07 1spy h LEU 57 Cb 0.73 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 1spy h LEU 57 CO -0.06 -0.20 -0.04 1.56 -0.13 0.00 0.00 178.44 179.57 1spy h GLN 58 N 0.12 -0.11 -0.84 1.25 4.20 -1.72 -3.08 115.11 114.93 1spy h GLN 58 Ca 0.80 0.01 0.21 0.00 0.06 0.00 0.00 58.65 59.73 1spy h GLN 58 Cb 2.38 0.03 -0.14 0.00 0.30 0.00 0.00 27.48 30.04 1spy h GLN 58 CO -0.48 0.42 0.11 0.93 -0.67 0.00 0.00 178.83 179.14 1spy h GLU 59 N -0.77 0.14 -0.50 1.46 5.08 -0.72 0.74 114.58 120.02 1spy h GLU 59 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1spy h GLU 59 Cb 0.58 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1spy h GLU 59 CO 0.02 0.09 0.27 1.98 -1.00 0.00 0.00 179.01 180.37 1spy h MET 60 N 0.15 0.68 -0.07 2.33 4.05 -1.43 -1.71 114.93 118.92 1spy h MET 60 Ca 0.49 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.76 1spy h MET 60 Cb 0.95 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.60 1spy h MET 60 CO -0.69 0.50 -0.34 0.82 0.23 0.00 0.00 176.91 177.43 1spy h ILE 61 N 0.69 1.27 -0.97 1.77 2.04 0.56 -1.73 117.51 121.13 1spy h ILE 61 Ca 0.18 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.78 1spy h ILE 61 Cb 0.03 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1spy h ILE 61 CO -0.03 0.38 0.64 0.44 0.00 0.00 0.00 178.15 179.58 1spy h ASP 62 N 0.11 1.08 1.31 1.72 5.19 -0.43 0.91 116.42 126.31 1spy h ASP 62 Ca 0.01 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1spy h ASP 62 Cb 0.67 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1spy h ASP 62 CO 0.05 0.76 -0.71 -0.08 -3.12 0.00 0.00 179.24 176.14 1spy h GLU 63 N 1.26 0.00 0.18 3.56 4.57 -1.52 -3.35 114.58 119.29 1spy h GLU 63 Ca 0.37 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.21 1spy h GLU 63 Cb -0.06 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1spy h GLU 63 CO -0.10 0.09 -1.69 0.28 -1.18 0.00 0.00 179.01 176.41 1spy h VAL 64 N 0.00 1.00 -2.27 0.32 2.07 -0.45 -3.37 116.25 113.56 1spy h VAL 64 Ca -0.02 -2.58 -0.80 0.00 0.82 0.00 0.00 66.70 64.12 1spy h VAL 64 Cb 1.12 2.79 -0.28 0.00 -1.52 0.00 0.00 31.29 33.40 1spy h VAL 64 CO 0.01 0.85 0.97 0.47 0.02 0.00 0.00 177.57 179.89 1spy n ASP 65 N -3.58 7.23 -0.02 0.57 9.92 0.31 -4.73 116.55 126.25 1spy n ASP 65 Ca -0.23 -3.68 -0.06 0.00 -0.53 0.00 0.00 54.79 50.29 1spy n ASP 65 Cb 1.07 -1.15 0.13 0.00 -0.64 0.00 0.00 41.12 40.54 1spy n ASP 65 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1spy h GLU 66 N 4.20 0.59 0.00 -1.24 4.22 -1.74 -3.32 114.58 117.29 1spy h GLU 66 Ca 0.52 -0.25 -0.01 0.00 0.08 0.00 0.00 59.36 59.69 1spy h GLU 66 Cb 0.33 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1spy h GLU 66 CO 1.17 0.82 -1.31 -0.40 -2.18 0.00 0.00 179.01 177.12 1spy n ASP 67 N -4.08 3.51 0.33 1.04 5.75 -1.26 -4.51 116.55 117.32 1spy n ASP 67 Ca -0.01 0.00 0.17 0.00 -0.01 0.00 0.00 54.79 54.95 1spy n ASP 67 Cb 0.46 1.24 0.92 0.00 -1.03 0.00 0.00 41.12 42.71 1spy n ASP 67 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1spy h GLY 68 N 1.19 0.00 -3.31 6.12 0.00 -1.80 -3.45 103.07 101.82 1spy h GLY 68 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 1spy h GLY 68 CO 0.00 0.00 -0.33 -1.26 0.00 0.00 0.00 176.54 174.95 1spy n SER 69 N -2.90 -4.15 -0.26 0.19 2.88 -1.25 -3.39 113.62 104.74 1spy n SER 69 Ca -0.02 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1spy n SER 69 Cb 0.27 -2.74 0.00 0.00 -0.75 0.00 0.00 64.21 60.99 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 -1.24 0.74 3.27 0.46 0.00 -1.26 -5.01 105.19 102.15 1spy n GLY 70 Ca -0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.51 -0.02 0.40 2.61 -4.23 -1.22 -1.92 115.64 108.74 1spy s THR 71 Ca 0.00 0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.66 1spy s THR 71 Cb 0.00 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.21 1spy s THR 71 CO 0.00 0.03 0.26 0.68 -0.54 0.00 0.00 174.62 175.05 1spy s VAL 72 N 1.11 2.65 0.09 2.29 -7.23 -0.30 -4.56 120.40 114.44 1spy s VAL 72 Ca -0.07 -1.54 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 1spy s VAL 72 Cb -0.07 -3.01 -0.00 0.00 0.56 0.00 0.00 36.38 33.86 1spy s VAL 72 CO -0.09 -0.04 0.03 -0.90 -0.31 0.00 0.00 175.10 173.78 1spy n ASP 73 N -1.35 1.11 0.08 4.85 5.75 -1.26 -0.42 116.55 125.30 1spy n ASP 73 Ca 0.00 -1.47 0.09 0.00 -0.01 0.00 0.00 54.79 53.41 1spy n ASP 73 Cb 0.63 0.21 0.40 0.00 -1.03 0.00 0.00 41.12 41.32 1spy n ASP 73 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1spy n PHE 74 N -0.20 0.46 0.03 2.11 7.35 -1.26 -1.45 117.46 124.49 1spy n PHE 74 Ca -0.02 0.19 -0.22 0.00 -0.76 0.00 0.00 57.45 56.64 1spy n PHE 74 Cb 0.13 -0.80 -0.14 0.00 0.35 0.00 0.00 39.48 39.02 1spy n PHE 74 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1spy h ASP 75 N 0.00 0.48 0.09 -2.13 3.32 -1.94 -3.30 116.42 112.94 1spy h ASP 75 Ca 0.00 -0.90 -0.00 0.00 0.02 0.00 0.00 57.03 56.14 1spy h ASP 75 Cb 0.26 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1spy h ASP 75 CO 0.00 1.74 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.89 1spy h GLU 76 N -0.08 -0.11 -0.60 3.56 5.08 -1.88 -3.20 114.58 117.35 1spy h GLU 76 Ca -0.35 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1spy h GLU 76 Cb 1.94 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 31.13 1spy h GLU 76 CO 0.11 0.25 -0.49 0.35 -1.00 0.00 0.00 179.01 178.23 1spy h PHE 77 N -0.98 -1.53 -0.74 4.33 3.57 -1.46 0.95 116.94 121.08 1spy h PHE 77 Ca -0.01 0.09 0.14 0.00 3.53 0.00 0.00 57.97 61.72 1spy h PHE 77 Cb 0.41 0.75 -0.14 0.00 2.79 0.00 0.00 35.95 39.76 1spy h PHE 77 CO 0.09 -0.36 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.51 1spy h LEU 78 N -0.16 -0.82 -1.66 0.59 4.07 -1.71 0.73 115.31 116.35 1spy h LEU 78 Ca 0.10 0.23 0.03 0.00 0.08 0.00 0.00 57.88 58.32 1spy h LEU 78 Cb 0.42 0.50 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 1spy h LEU 78 CO -0.65 -0.26 0.27 0.58 -1.08 0.00 0.00 178.44 177.29 1spy h VAL 79 N -0.03 1.04 0.00 1.22 2.07 -0.89 -0.59 116.25 119.06 1spy h VAL 79 Ca 0.34 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.60 1spy h VAL 79 Cb 0.56 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1spy h VAL 79 CO -0.77 0.08 -0.50 0.24 0.02 0.00 0.00 177.57 176.64 1spy h MET 80 N 0.44 0.00 0.04 1.57 2.86 0.22 -3.14 114.93 116.92 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 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1spy h MET 80 CO -0.04 0.50 -0.02 0.52 1.06 0.00 0.00 176.91 178.93 1spy h MET 81 N 0.00 -0.05 -0.18 1.72 2.07 0.56 -3.18 114.93 115.86 1spy h MET 81 Ca -0.00 0.00 0.05 0.00 -2.07 0.00 0.00 59.70 57.68 1spy h MET 81 Cb 1.13 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.86 1spy h MET 81 CO 0.06 0.57 0.36 -0.39 1.07 0.00 0.00 176.91 178.59 1spy h VAL 82 N -0.93 0.19 0.23 -2.22 -1.51 -1.40 -1.97 116.25 108.65 1spy h VAL 82 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.45 1spy h VAL 82 Cb 0.65 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1spy h VAL 82 CO 0.01 0.00 -0.11 -0.09 -1.23 0.00 0.00 177.57 176.15 1spy h ARG 83 N 0.00 -0.30 0.00 5.19 2.43 -1.55 -3.40 114.38 116.75 1spy h ARG 83 Ca 0.08 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1spy h ARG 83 Cb 0.81 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1spy h ARG 83 CO -0.00 0.03 0.00 0.00 -1.51 0.00 0.00 179.97 178.49 1spy n MET 85 N -0.41 -1.83 -3.64 0.00 2.81 -1.08 -5.03 117.12 107.95 1spy n MET 85 Ca 0.00 1.72 -0.09 0.00 -1.81 0.00 0.00 57.70 57.52 1spy n MET 85 Cb 0.00 -2.68 -0.07 0.00 -0.71 0.00 0.00 33.22 29.76 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 -1.00 0.73 0.72 0.03 2.36 -1.26 -5.14 119.74 116.19 1spy s LYS 86 Ca -0.03 1.15 -0.11 0.00 -2.55 0.00 0.00 55.97 54.42 1spy s LYS 86 Cb 0.00 0.21 0.03 0.00 -1.05 0.00 0.00 37.83 37.02 1spy s LYS 86 CO 0.31 -0.14 1.09 -0.51 1.55 0.00 0.00 175.35 177.66 1spy s ASP 87 N 1.27 5.24 -0.13 1.43 1.11 -1.26 -4.66 116.67 119.67 1spy s ASP 87 Ca -0.07 1.22 -0.08 0.00 0.18 0.00 0.00 52.55 53.80 1spy s ASP 87 Cb -0.05 -2.02 0.03 0.00 1.07 0.00 0.00 42.92 41.94 1spy s ASP 87 CO -0.14 -1.48 0.16 -0.67 1.18 0.00 0.00 175.17 174.22 1spy n ASP 88 N -3.11 -3.10 0.00 0.27 -0.08 -1.26 -5.14 116.55 104.12 1spy n ASP 88 Ca 0.07 1.21 0.00 0.00 -1.51 0.00 0.00 54.79 54.56 1spy n ASP 88 Cb 0.57 -4.03 0.00 0.00 2.34 0.00 0.00 41.12 39.99 1spy n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12