#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhu s ALA 5 N -0.17 0.21 0.33 0.00 0.00 -1.26 -4.76 121.76 116.11 1yhu s ALA 5 Ca 0.33 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1yhu s ALA 5 Cb 0.04 -3.33 0.58 0.00 0.00 0.00 0.00 23.12 20.41 1yhu s ALA 5 CO -0.19 -3.47 1.87 1.98 0.00 0.00 0.00 175.76 175.94 1yhu h MET 6 N -2.37 0.55 -0.15 0.00 -1.53 -1.99 -0.91 114.93 108.53 1yhu h MET 6 Ca -0.55 -0.12 -0.03 0.00 -3.44 0.00 0.00 59.70 55.56 1yhu h MET 6 Cb 1.31 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 32.27 1yhu h MET 6 CO 0.47 0.58 -0.02 -0.07 0.14 0.00 0.00 176.91 178.00 1yhu h LEU 7 N 0.53 0.28 -1.61 3.39 3.38 -1.99 -1.13 115.31 118.15 1yhu h LEU 7 Ca 0.11 -0.34 0.11 0.00 0.09 0.00 0.00 57.88 57.85 1yhu h LEU 7 Cb 0.33 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1yhu h LEU 7 CO 0.01 0.55 0.43 -0.33 0.09 0.00 0.00 178.44 179.19 1yhu h GLU 8 N -0.01 0.42 0.12 1.13 5.08 -1.73 0.15 114.58 119.74 1yhu h GLU 8 Ca 0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1yhu h GLU 8 Cb 0.42 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1yhu h GLU 8 CO 0.01 0.28 -0.06 0.00 -1.00 0.00 0.00 179.01 178.24 1yhu h ARG 9 N 0.43 -0.16 -0.89 2.33 3.08 -0.84 0.46 114.38 118.79 1yhu h ARG 9 Ca 0.30 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.58 1yhu h ARG 9 Cb 0.58 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.54 1yhu h ARG 9 CO -0.09 0.32 0.38 0.00 -1.07 0.00 0.00 179.97 179.51 1yhu h ALA 10 N -0.07 1.41 -0.07 0.04 0.00 -0.43 0.22 119.26 120.37 1yhu h ALA 10 Ca -0.02 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1yhu h ALA 10 Cb 0.55 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1yhu h ALA 10 CO 0.03 -0.35 -0.02 -0.22 0.00 0.00 0.00 179.25 178.69 1yhu h LYS 11 N 0.38 0.13 -1.00 0.00 3.64 -0.55 -1.38 116.57 117.78 1yhu h LYS 11 Ca 0.56 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.93 1yhu h LYS 11 Cb 1.06 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.81 1yhu h LYS 11 CO -0.54 0.46 0.65 0.28 -2.27 0.00 0.00 179.45 178.04 1yhu h VAL 12 N -0.21 1.14 0.36 2.00 2.07 0.21 -1.53 116.25 120.30 1yhu h VAL 12 Ca 0.02 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1yhu h VAL 12 Cb 0.42 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1yhu h VAL 12 CO 0.01 0.23 -0.17 0.11 0.02 0.00 0.00 177.57 177.76 1yhu h LYS 13 N 1.24 -0.47 -0.81 1.57 1.57 -0.55 -0.34 116.57 118.78 1yhu h LYS 13 Ca 0.41 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.32 1yhu h LYS 13 Cb 0.06 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.36 1yhu h LYS 13 CO -0.14 -0.25 -0.52 -0.44 -0.57 0.00 0.00 179.45 177.53 1yhu h ASP 14 N -0.59 -1.87 -0.41 0.86 3.32 -0.55 0.12 116.42 117.30 1yhu h ASP 14 Ca -0.05 0.30 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1yhu h ASP 14 Cb 0.44 0.84 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 1yhu h ASP 14 CO 0.08 -0.29 0.16 -0.33 -1.72 0.00 0.00 179.24 177.14 1yhu h GLU 15 N -0.12 0.61 -0.48 3.56 5.08 -1.22 -2.13 114.58 119.88 1yhu h GLU 15 Ca 0.18 -0.11 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1yhu h GLU 15 Cb 0.50 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1yhu h GLU 15 CO -0.84 0.57 0.08 2.35 -1.00 0.00 0.00 179.01 180.17 1yhu h TRP 16 N 0.51 0.12 0.01 4.33 2.91 0.12 0.18 115.95 124.13 1yhu h TRP 16 Ca 0.14 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.22 1yhu h TRP 16 Cb 0.19 0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 28.81 1yhu h TRP 16 CO 0.00 -0.02 -0.35 0.00 -1.03 0.00 0.00 178.44 177.04 1yhu h ALA 17 N 1.38 -0.53 -0.49 2.65 0.00 -0.52 0.82 119.26 122.57 1yhu h ALA 17 Ca 0.24 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1yhu h ALA 17 Cb 0.33 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1yhu h ALA 17 CO -0.33 -0.87 0.17 -0.22 0.00 0.00 0.00 179.25 177.99 1yhu h LYS 18 N -0.51 0.33 0.02 0.00 1.63 -0.70 -2.65 116.57 114.68 1yhu h LYS 18 Ca 0.05 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1yhu h LYS 18 Cb 0.59 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1yhu h LYS 18 CO -0.27 0.22 -0.01 0.00 -3.45 0.00 0.00 179.45 175.93 1yhu h ALA 19 N 1.34 -0.02 -0.12 5.00 0.00 0.04 -3.10 119.26 122.40 1yhu h ALA 19 Ca 0.24 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1yhu h ALA 19 Cb 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1yhu h ALA 19 CO -0.25 -0.25 0.24 -0.92 0.00 0.00 0.00 179.25 178.06 1yhu h TYR 20 N -0.54 0.00 -0.77 0.00 3.20 0.69 -3.47 116.97 116.07 1yhu h TYR 20 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1yhu h TYR 20 Cb 0.52 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1yhu h TYR 20 CO 0.10 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.03 1yhu n GLY 21 N -1.29 -1.53 0.20 1.82 0.00 -1.01 -3.46 105.19 99.91 1yhu n GLY 21 Ca 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 46.02 44.71 1yhu n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yhu n ILE 22 N -0.74 1.34 0.00 -0.61 5.41 -1.26 -4.82 119.36 118.69 1yhu n ILE 22 Ca 0.00 0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.95 1yhu n ILE 22 Cb 0.00 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 36.74 1yhu n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1yhu n GLY 23 N 1.71 0.25 0.21 7.39 0.00 -1.26 -4.77 105.19 108.72 1yhu n GLY 23 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1yhu n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhu h ALA 24 N 0.26 0.97 -0.45 4.61 0.00 -1.98 -2.85 119.26 119.83 1yhu h ALA 24 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1yhu h ALA 24 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1yhu h ALA 24 CO 0.00 0.30 0.23 0.00 0.00 0.00 0.00 179.25 179.78 1yhu h ALA 25 N 1.76 1.55 -0.16 0.00 0.00 -1.90 -2.16 119.26 118.35 1yhu h ALA 25 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1yhu h ALA 25 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1yhu h ALA 25 CO 0.03 0.37 0.03 0.00 0.00 0.00 0.00 179.25 179.68 1yhu h ARG 26 N 0.63 0.26 -0.06 0.00 3.08 -1.53 0.40 114.38 117.17 1yhu h ARG 26 Ca 0.16 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.18 1yhu h ARG 26 Cb 0.05 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1yhu h ARG 26 CO -0.02 0.42 -0.14 1.03 -1.07 0.00 0.00 179.97 180.18 1yhu h SER 27 N 0.05 -0.44 -0.28 7.04 0.87 -1.55 0.61 113.55 119.85 1yhu h SER 27 Ca 0.05 0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.75 1yhu h SER 27 Cb 0.29 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.36 1yhu h SER 27 CO 0.00 -0.20 -0.29 0.50 -0.53 0.00 0.00 176.83 176.31 1yhu h LYS 28 N -0.21 -0.27 -0.18 2.24 3.64 -1.20 0.45 116.57 121.03 1yhu h LYS 28 Ca 0.07 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1yhu h LYS 28 Cb 0.31 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.13 1yhu h LYS 28 CO -0.18 -0.18 -0.18 0.35 -2.27 0.00 0.00 179.45 176.98 1yhu h PHE 29 N -0.28 -0.47 -0.30 1.91 3.57 -0.40 0.26 116.94 121.23 1yhu h PHE 29 Ca 0.14 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1yhu h PHE 29 Cb 0.51 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 1yhu h PHE 29 CO -0.46 -0.26 -0.10 0.78 -2.23 0.00 0.00 178.31 176.04 1yhu h GLY 30 N -0.21 0.17 1.19 2.40 0.00 -0.08 0.23 103.07 106.77 1yhu h GLY 30 Ca 0.11 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.61 1yhu h GLY 30 CO -0.30 -0.13 0.47 -0.55 0.00 0.00 0.00 176.54 176.02 1yhu h ASP 31 N -0.04 0.74 0.04 0.19 3.45 -0.21 -1.56 116.42 119.03 1yhu h ASP 31 Ca 0.15 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.60 1yhu h ASP 31 Cb 0.27 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1yhu h ASP 31 CO -0.33 0.51 -0.02 0.00 -1.57 0.00 0.00 179.24 177.84 1yhu h ALA 32 N 1.58 -0.05 0.02 3.45 0.00 0.27 -2.28 119.26 122.25 1yhu h ALA 32 Ca 0.28 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1yhu h ALA 32 Cb 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1yhu h ALA 32 CO -0.08 -0.34 -0.42 1.25 0.00 0.00 0.00 179.25 179.67 1yhu h LEU 33 N -0.44 -1.26 -1.38 0.00 5.85 -0.14 -2.20 115.31 115.74 1yhu h LEU 33 Ca -0.01 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1yhu h LEU 33 Cb 0.40 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1yhu h LEU 33 CO 0.01 -0.46 -0.08 -0.50 -0.34 0.00 0.00 178.44 177.07 1yhu h TRP 34 N -0.59 0.33 -0.66 1.25 4.06 -1.37 -0.66 115.95 118.32 1yhu h TRP 34 Ca 0.04 -0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.99 1yhu h TRP 34 Cb 0.66 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.68 1yhu h TRP 34 CO -0.41 0.40 0.41 -0.09 -3.56 0.00 0.00 178.44 175.19 1yhu h ARG 35 N 0.31 0.79 -0.11 0.49 2.43 -1.03 -1.48 114.38 115.77 1yhu h ARG 35 Ca 0.07 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1yhu h ARG 35 Cb 0.33 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1yhu h ARG 35 CO 0.02 0.52 0.05 -0.91 -1.51 0.00 0.00 179.97 178.14 1yhu h ASN 36 N 0.81 0.14 -0.48 -3.80 -0.26 -0.76 -1.73 115.58 109.50 1yhu h ASN 36 Ca 0.26 -0.13 0.10 0.00 -0.56 0.00 0.00 56.30 55.96 1yhu h ASN 36 Cb 0.00 -0.04 -0.08 0.00 -1.06 0.00 0.00 38.32 37.14 1yhu h ASN 36 CO -0.10 0.24 -0.05 0.58 -1.06 0.00 0.00 177.43 177.05 1yhu h VAL 37 N 0.04 0.58 0.00 2.81 2.07 -0.68 0.13 116.25 121.21 1yhu h VAL 37 Ca 0.04 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1yhu h VAL 37 Cb 0.13 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1yhu h VAL 37 CO -0.00 0.01 0.00 0.49 0.02 0.00 0.00 177.57 178.09 1yhu n PHE 38 N -5.27 0.29 -0.05 1.57 0.99 -0.60 -1.79 117.46 112.60 1yhu n PHE 38 Ca 0.05 0.09 -0.09 0.00 -0.00 0.00 0.00 57.45 57.50 1yhu n PHE 38 Cb 0.26 -0.65 -0.15 0.00 -1.00 0.00 0.00 39.48 37.95 1yhu n PHE 38 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1yhu n ASN 39 N -1.74 0.65 0.04 4.37 5.03 -0.54 -2.29 115.26 120.79 1yhu n ASN 39 Ca 0.05 0.28 -0.09 0.00 0.87 0.00 0.00 54.58 55.69 1yhu n ASN 39 Cb 0.31 0.24 0.05 0.00 -1.02 0.00 0.00 39.78 39.36 1yhu n ASN 39 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1yhu h TYR 40 N 0.00 0.57 -2.02 3.10 -1.99 -0.69 -3.38 116.97 112.56 1yhu h TYR 40 Ca -0.37 -0.23 -0.53 0.00 2.00 0.00 0.00 58.73 59.60 1yhu h TYR 40 Cb 2.09 -0.10 -0.35 0.00 2.00 0.00 0.00 36.73 40.37 1yhu h TYR 40 CO 0.00 0.97 -0.95 0.00 -0.00 0.00 0.00 178.16 178.18 1yhu n ALA 41 N -2.51 2.12 0.24 3.88 0.00 -0.74 -4.99 120.51 118.51 1yhu n ALA 41 Ca -0.04 -2.93 0.17 0.00 0.00 0.00 0.00 53.44 50.64 1yhu n ALA 41 Cb 0.67 -0.86 0.75 0.00 0.00 0.00 0.00 19.45 20.00 1yhu n ALA 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1yhu h PRO 42 N 5.01 0.00 0.00 0.00 0.13 -1.64 0.46 132.00 135.95 1yhu h PRO 42 Ca 0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 1yhu h PRO 42 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1yhu h PRO 42 CO 0.36 0.00 -0.23 -0.91 -0.23 0.00 0.00 178.00 177.00 1yhu h ASN 43 N 0.00 0.00 0.49 1.44 4.21 -1.94 -3.15 115.58 116.62 1yhu h ASN 43 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1yhu h ASN 43 Cb 0.91 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 1yhu h ASN 43 CO -0.00 0.23 0.00 0.00 -1.29 0.00 0.00 177.43 176.37 1yhu n ALA 44 N -2.16 1.74 -0.10 -0.83 0.00 0.15 -3.12 120.51 116.19 1yhu n ALA 44 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1yhu n ALA 44 Cb 0.60 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 1yhu n ALA 44 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1yhu h ARG 45 N 0.00 0.54 -0.13 0.00 2.43 -1.69 -2.62 114.38 112.91 1yhu h ARG 45 Ca 0.00 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1yhu h ARG 45 Cb 0.24 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1yhu h ARG 45 CO 0.00 0.73 0.29 -0.44 -1.51 0.00 0.00 179.97 179.05 1yhu h ASP 46 N 0.30 0.00 -0.36 -3.80 3.32 -1.78 -0.08 116.42 114.03 1yhu h ASP 46 Ca 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1yhu h ASP 46 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1yhu h ASP 46 CO 0.03 0.00 0.10 0.40 -1.72 0.00 0.00 179.24 178.05 1yhu h ILE 47 N 0.00 1.19 -0.89 0.35 2.04 -1.66 -3.08 117.51 115.47 1yhu h ILE 47 Ca 0.06 -0.69 -0.42 0.00 1.00 0.00 0.00 64.86 64.81 1yhu h ILE 47 Cb 0.65 0.76 -0.25 0.00 -0.74 0.00 0.00 36.82 37.23 1yhu h ILE 47 CO -0.00 0.25 0.54 0.49 0.00 0.00 0.00 178.15 179.43 1yhu n PHE 48 N -4.31 2.78 0.29 1.37 3.01 -0.04 -4.43 117.46 116.12 1yhu n PHE 48 Ca 0.03 -1.62 0.17 0.00 1.01 0.00 0.00 57.45 57.03 1yhu n PHE 48 Cb 0.20 -0.85 0.68 0.00 -0.01 0.00 0.00 39.48 39.50 1yhu n PHE 48 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1yhu h GLU 49 N 1.33 0.00 0.00 -1.08 4.11 -1.65 -1.60 114.58 115.70 1yhu h GLU 49 Ca 0.52 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.94 1yhu h GLU 49 Cb 2.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.90 1yhu h GLU 49 CO 0.97 0.00 -0.07 0.77 0.07 0.00 0.00 179.01 180.74 1yhu h SER 50 N 0.00 0.00 -0.54 3.06 0.02 -1.86 -1.48 113.55 112.74 1yhu h SER 50 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 1yhu h SER 50 Cb 0.48 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.79 1yhu h SER 50 CO 0.00 0.07 -0.24 1.33 -1.14 0.00 0.00 176.83 176.86 1yhu n VAL 51 N -3.78 2.67 -3.79 2.27 0.24 -0.64 -4.97 118.33 110.33 1yhu n VAL 51 Ca -0.02 -3.32 -0.34 0.00 -2.04 0.00 0.00 64.34 58.61 1yhu n VAL 51 Cb 0.17 -0.70 0.03 0.00 -1.47 0.00 0.00 33.84 31.88 1yhu n VAL 51 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1yhu n ASN 52 N -0.96 -4.58 0.00 -1.34 4.05 -0.56 -2.90 115.26 108.97 1yhu n ASN 52 Ca 0.40 -1.08 0.10 0.00 0.45 0.00 0.00 54.58 54.45 1yhu n ASN 52 Cb 0.93 -2.99 0.49 0.00 1.23 0.00 0.00 39.78 39.44 1yhu n ASN 52 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1yhu n SER 53 N -2.60 0.00 -0.03 1.20 3.41 -0.97 -2.95 113.62 111.68 1yhu n SER 53 Ca -0.12 0.24 -0.10 0.00 -0.26 0.00 0.00 58.87 58.63 1yhu n SER 53 Cb 0.59 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1yhu n SER 53 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1yhu h LYS 54 N 0.00 0.15 -3.99 4.33 1.79 -1.88 -3.32 116.57 113.65 1yhu h LYS 54 Ca 0.00 -0.01 -0.74 0.00 -2.18 0.00 0.00 60.65 57.72 1yhu h LYS 54 Cb 0.28 -0.03 -0.30 0.00 -1.58 0.00 0.00 32.23 30.60 1yhu h LYS 54 CO 0.00 0.10 -0.25 0.34 -1.08 0.00 0.00 179.45 178.56 1yhu s ASP 55 N -5.29 5.88 0.00 0.86 3.68 -1.15 -4.93 116.67 115.71 1yhu s ASP 55 Ca -0.13 -2.35 0.02 0.00 2.13 0.00 0.00 52.55 52.23 1yhu s ASP 55 Cb 0.09 -2.03 0.11 0.00 -1.45 0.00 0.00 42.92 39.64 1yhu s ASP 55 CO 0.69 -0.59 0.87 0.80 0.13 0.00 0.00 175.17 177.06 1yhu n MET 56 N 4.33 0.03 -0.04 4.34 0.00 -1.25 -0.64 117.12 123.89 1yhu n MET 56 Ca 0.01 0.25 0.02 0.00 -0.00 0.00 0.00 57.70 57.99 1yhu n MET 56 Cb 0.41 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 32.18 1yhu n MET 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1yhu n ALA 57 N -1.27 2.27 -1.77 -5.12 0.00 -1.26 -4.67 120.51 108.69 1yhu n ALA 57 Ca 0.01 -0.81 -0.38 0.00 0.00 0.00 0.00 53.44 52.26 1yhu n ALA 57 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 1yhu n ALA 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1yhu s SER 58 N -0.72 6.38 0.34 0.00 1.04 0.19 -4.83 113.70 116.11 1yhu s SER 58 Ca 0.08 2.33 0.05 0.00 0.48 0.00 0.00 55.95 58.89 1yhu s SER 58 Cb 0.05 -2.61 0.68 0.00 0.10 0.00 0.00 66.02 64.24 1yhu s SER 58 CO 0.06 -0.77 1.93 1.55 0.98 0.00 0.00 173.24 176.99 1yhu h PRO 59 N 2.41 0.81 -0.46 4.02 0.13 -1.95 0.23 132.00 137.19 1yhu h PRO 59 Ca -0.49 -0.05 0.09 0.00 -0.87 0.00 0.00 66.00 64.68 1yhu h PRO 59 Cb 1.24 -0.18 -0.09 0.00 0.13 0.00 0.00 31.00 32.10 1yhu h PRO 59 CO 0.62 0.54 -0.15 0.93 -0.23 0.00 0.00 178.00 179.70 1yhu h GLU 60 N 0.83 -0.05 -0.01 0.86 3.07 -1.90 0.22 114.58 117.60 1yhu h GLU 60 Ca 0.36 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.97 1yhu h GLU 60 Cb 0.31 0.01 0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1yhu h GLU 60 CO -0.13 -0.03 -0.97 0.35 -1.40 0.00 0.00 179.01 176.83 1yhu h PHE 61 N -0.05 1.00 -0.86 4.33 3.57 -1.19 -2.50 116.94 121.24 1yhu h PHE 61 Ca 0.22 -0.54 0.06 0.00 3.53 0.00 0.00 57.97 61.24 1yhu h PHE 61 Cb 0.38 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1yhu h PHE 61 CO -0.43 1.37 0.56 0.87 -2.23 0.00 0.00 178.31 178.46 1yhu h LYS 62 N 0.35 0.95 -0.53 1.11 1.57 -0.60 0.21 116.57 119.63 1yhu h LYS 62 Ca -0.12 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1yhu h LYS 62 Cb 1.63 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.70 1yhu h LYS 62 CO 0.19 0.63 0.35 0.00 -0.57 0.00 0.00 179.45 180.05 1yhu h ALA 63 N 1.53 0.67 0.62 3.86 0.00 -0.49 0.15 119.26 125.60 1yhu h ALA 63 Ca 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1yhu h ALA 63 Cb 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1yhu h ALA 63 CO -0.13 0.11 -0.35 1.25 0.00 0.00 0.00 179.25 180.12 1yhu h HIS 64 N 0.71 -0.93 -0.81 0.00 -0.00 -0.47 -1.03 115.15 112.63 1yhu h HIS 64 Ca 0.20 -0.01 0.19 0.00 -0.00 0.00 0.00 60.37 60.75 1yhu h HIS 64 Cb -0.07 0.32 -0.13 0.00 -0.00 0.00 0.00 27.41 27.53 1yhu h HIS 64 CO -0.04 -0.55 0.18 0.82 -0.00 0.00 0.00 177.93 178.35 1yhu h ILE 65 N -0.91 0.40 -0.39 6.26 2.04 -0.33 0.32 117.51 124.91 1yhu h ILE 65 Ca -0.08 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.77 1yhu h ILE 65 Cb 0.72 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1yhu h ILE 65 CO 0.10 0.04 0.02 0.00 0.00 0.00 0.00 178.15 178.31 1yhu h ALA 66 N 1.70 0.37 -0.03 1.87 0.00 -0.12 0.24 119.26 123.30 1yhu h ALA 66 Ca 0.48 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 1yhu h ALA 66 Cb 0.89 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1yhu h ALA 66 CO -0.60 -0.37 0.01 0.00 0.00 0.00 0.00 179.25 178.29 1yhu h ARG 67 N 0.13 0.05 -0.59 0.00 3.08 0.84 -0.62 114.38 117.27 1yhu h ARG 67 Ca 0.19 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1yhu h ARG 67 Cb 0.25 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1yhu h ARG 67 CO -0.29 0.26 0.36 -0.24 -1.07 0.00 0.00 179.97 178.98 1yhu h VAL 68 N -0.17 1.17 -0.69 2.04 3.04 -0.76 0.89 116.25 121.78 1yhu h VAL 68 Ca 0.01 -0.39 -0.01 0.00 -1.01 0.00 0.00 66.70 65.30 1yhu h VAL 68 Cb 0.23 0.36 -0.03 0.00 -2.01 0.00 0.00 31.29 29.84 1yhu h VAL 68 CO 0.00 0.18 0.40 -0.07 -1.01 0.00 0.00 177.57 177.07 1yhu h LEU 69 N 0.80 0.84 -0.99 3.16 3.38 -0.90 0.23 115.31 121.84 1yhu h LEU 69 Ca 0.21 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1yhu h LEU 69 Cb -0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 1yhu h LEU 69 CO -0.04 0.67 0.65 1.23 0.09 0.00 0.00 178.44 181.03 1yhu h GLY 70 N 0.94 1.47 0.92 0.83 0.00 -0.41 0.35 103.07 107.18 1yhu h GLY 70 Ca 0.25 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1yhu h GLY 70 CO -0.04 0.39 -0.29 -1.33 0.00 0.00 0.00 176.54 175.27 1yhu h GLY 71 N 1.23 -0.85 -0.33 4.60 0.00 0.26 -0.45 103.07 107.53 1yhu h GLY 71 Ca 0.41 0.32 0.18 0.00 0.00 0.00 0.00 47.33 48.23 1yhu h GLY 71 CO -0.14 -0.31 0.06 1.41 0.00 0.00 0.00 176.54 177.56 1yhu h LEU 72 N -0.90 -0.26 0.77 3.11 3.38 0.21 -0.16 115.31 121.45 1yhu h LEU 72 Ca -0.08 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1yhu h LEU 72 Cb 0.66 0.31 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1yhu h LEU 72 CO 0.14 -0.16 -0.37 -0.78 0.09 0.00 0.00 178.44 177.36 1yhu h ASP 73 N 0.14 -0.88 -0.42 -0.43 -0.00 -0.08 -0.82 116.42 113.93 1yhu h ASP 73 Ca 0.43 0.02 0.12 0.00 -0.00 0.00 0.00 57.03 57.60 1yhu h ASP 73 Cb 0.77 0.23 -0.02 0.00 -0.00 0.00 0.00 39.33 40.31 1yhu h ASP 73 CO -0.64 -0.53 0.35 0.08 -0.00 0.00 0.00 179.24 178.49 1yhu h ARG 74 N -1.21 0.00 0.02 0.28 0.11 -0.54 0.74 114.38 113.78 1yhu h ARG 74 Ca -0.11 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 1yhu h ARG 74 Cb 0.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 1yhu h ARG 74 CO 0.17 0.00 -0.01 0.28 0.10 0.00 0.00 179.97 180.51 1yhu h VAL 75 N 0.00 1.25 -0.28 0.08 2.07 -0.94 -3.14 116.25 115.29 1yhu h VAL 75 Ca 0.20 -1.83 0.05 0.00 0.82 0.00 0.00 66.70 65.94 1yhu h VAL 75 Cb 0.89 2.32 -0.05 0.00 -1.52 0.00 0.00 31.29 32.93 1yhu h VAL 75 CO -0.00 0.41 -0.04 0.40 0.02 0.00 0.00 177.57 178.35 1yhu h ILE 76 N -0.96 0.75 -0.06 4.57 2.04 -0.50 -0.35 117.51 123.00 1yhu h ILE 76 Ca -0.00 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1yhu h ILE 76 Cb 0.69 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1yhu h ILE 76 CO 0.00 0.01 0.13 0.77 0.00 0.00 0.00 178.15 179.06 1yhu h SER 77 N 0.03 0.00 -0.30 1.72 4.64 -1.01 0.33 113.55 118.97 1yhu h SER 77 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1yhu h SER 77 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1yhu h SER 77 CO -0.27 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.92 1yhu n MET 78 N -3.38 2.12 0.18 4.77 2.81 -0.16 -4.38 117.12 119.07 1yhu n MET 78 Ca -0.01 -1.69 0.18 0.00 -1.81 0.00 0.00 57.70 54.37 1yhu n MET 78 Cb 0.22 -1.44 0.81 0.00 -0.71 0.00 0.00 33.22 32.09 1yhu n MET 78 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1yhu h LEU 79 N 3.29 0.00 -3.46 4.03 3.38 -0.73 -0.60 115.31 121.21 1yhu h LEU 79 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1yhu h LEU 79 Cb 0.73 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.26 1yhu h LEU 79 CO 0.00 0.00 0.49 -0.90 0.09 0.00 0.00 178.44 178.12 1yhu n ASP 80 N -3.67 4.18 -2.77 -0.43 3.85 -1.26 -4.48 116.55 111.96 1yhu n ASP 80 Ca 0.03 -3.18 -0.06 0.00 -0.71 0.00 0.00 54.79 50.87 1yhu n ASP 80 Cb 0.43 -0.79 0.02 0.00 -1.35 0.00 0.00 41.12 39.43 1yhu n ASP 80 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1yhu n ASN 81 N -0.58 -3.21 -0.36 -1.12 4.05 -0.23 -5.03 115.26 108.79 1yhu n ASN 81 Ca 0.43 -3.02 0.03 0.00 0.45 0.00 0.00 54.58 52.47 1yhu n ASN 81 Cb 1.20 1.71 0.10 0.00 1.23 0.00 0.00 39.78 44.02 1yhu n ASN 81 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 1yhu h GLN 82 N 4.71 -0.00 0.00 1.20 1.08 -1.78 -0.91 115.11 119.41 1yhu h GLN 82 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yhu h GLN 82 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1yhu h GLN 82 CO 0.12 -0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.99 1yhu n ALA 83 N -3.55 0.00 0.13 3.87 0.00 -1.26 -0.51 120.51 119.18 1yhu n ALA 83 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 1yhu n ALA 83 Cb 0.46 0.33 -0.08 0.00 0.00 0.00 0.00 19.45 20.16 1yhu n ALA 83 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1yhu h THR 84 N 0.00 0.83 -0.86 0.00 2.02 -1.77 -3.03 112.91 110.10 1yhu h THR 84 Ca 0.00 -0.06 0.13 0.00 0.77 0.00 0.00 66.41 67.25 1yhu h THR 84 Cb 0.00 0.87 -0.14 0.00 -1.74 0.00 0.00 68.15 67.14 1yhu h THR 84 CO 0.00 0.01 -0.41 0.25 0.37 0.00 0.00 175.52 175.75 1yhu h LEU 85 N -0.28 -1.47 0.03 2.58 5.85 -0.65 0.14 115.31 121.51 1yhu h LEU 85 Ca -0.03 0.29 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1yhu h LEU 85 Cb 0.21 0.73 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1yhu h LEU 85 CO 0.04 -0.29 -0.11 0.44 -0.34 0.00 0.00 178.44 178.18 1yhu h ASP 86 N -0.06 -0.31 -0.28 1.25 3.32 -0.78 0.20 116.42 119.76 1yhu h ASP 86 Ca 0.28 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.42 1yhu h ASP 86 Cb 0.57 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1yhu h ASP 86 CO -0.89 -0.16 0.01 0.00 -1.72 0.00 0.00 179.24 176.49 1yhu h ALA 87 N 0.75 0.26 -0.49 3.45 0.00 -1.03 0.33 119.26 122.52 1yhu h ALA 87 Ca 0.03 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1yhu h ALA 87 Cb 0.24 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1yhu h ALA 87 CO -0.09 -0.40 0.02 0.22 0.00 0.00 0.00 179.25 179.00 1yhu h ASP 88 N 0.10 0.83 -0.64 0.00 3.58 -0.58 0.11 116.42 119.82 1yhu h ASP 88 Ca 0.13 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1yhu h ASP 88 Cb 0.16 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1yhu h ASP 88 CO -0.21 0.92 0.40 -0.07 -2.88 0.00 0.00 179.24 177.40 1yhu h LEU 89 N 0.72 0.75 -0.76 2.28 3.38 -0.27 -0.02 115.31 121.40 1yhu h LEU 89 Ca 0.14 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1yhu h LEU 89 Cb 0.48 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1yhu h LEU 89 CO 0.02 0.58 0.44 0.00 0.09 0.00 0.00 178.44 179.56 1yhu h ALA 90 N 1.21 1.05 0.09 1.53 0.00 0.25 0.31 119.26 123.70 1yhu h ALA 90 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1yhu h ALA 90 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1yhu h ALA 90 CO -0.05 0.11 -0.09 1.25 0.00 0.00 0.00 179.25 180.48 1yhu h HIS 91 N 0.78 -0.22 -0.85 0.00 -0.00 0.26 -1.54 115.15 113.57 1yhu h HIS 91 Ca 0.35 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.81 1yhu h HIS 91 Cb 0.24 0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.68 1yhu h HIS 91 CO -0.06 -0.13 0.55 -0.07 -0.00 0.00 0.00 177.93 178.22 1yhu h LEU 92 N -0.19 0.77 -0.25 0.26 3.38 -0.21 -0.65 115.31 118.42 1yhu h LEU 92 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yhu h LEU 92 Cb 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1yhu h LEU 92 CO -0.02 0.46 0.16 0.50 0.09 0.00 0.00 178.44 179.64 1yhu h LYS 93 N 0.86 0.32 -0.92 1.13 3.64 -0.27 -0.69 116.57 120.64 1yhu h LYS 93 Ca 0.39 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.90 1yhu h LYS 93 Cb 0.37 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 1yhu h LYS 93 CO -0.16 0.21 0.59 0.77 -2.27 0.00 0.00 179.45 178.60 1yhu h SER 94 N 0.33 0.69 0.78 4.20 0.02 -0.17 0.37 113.55 119.77 1yhu h SER 94 Ca 0.09 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 1yhu h SER 94 Cb -0.03 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1yhu h SER 94 CO -0.02 0.33 -0.61 1.56 -1.14 0.00 0.00 176.83 176.96 1yhu h GLN 95 N 0.72 0.00 0.00 3.45 4.20 -0.49 -3.34 115.11 119.65 1yhu h GLN 95 Ca 0.47 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.95 1yhu h GLN 95 Cb 0.74 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 1yhu h GLN 95 CO -0.23 0.61 -2.16 0.72 -0.67 0.00 0.00 178.83 177.10 1yhu n HIS 96 N -3.63 0.12 -0.13 2.96 8.25 -0.27 -4.58 115.22 117.94 1yhu n HIS 96 Ca -0.01 0.04 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 1yhu n HIS 96 Cb 0.64 -0.86 0.01 0.00 1.12 0.00 0.00 29.99 30.91 1yhu n HIS 96 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1yhu h ASP 97 N 0.00 -0.69 0.18 0.41 3.45 -0.47 -0.82 116.42 118.48 1yhu h ASP 97 Ca -0.33 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.29 1yhu h ASP 97 Cb 1.79 0.38 0.00 0.00 -0.56 0.00 0.00 39.33 40.93 1yhu h ASP 97 CO 0.02 -0.23 0.00 -0.81 -1.57 0.00 0.00 179.24 176.65 1yhu n PRO 98 N -5.38 0.13 0.00 3.56 -0.04 -1.26 -1.60 135.00 130.40 1yhu n PRO 98 Ca 0.03 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.19 1yhu n PRO 98 Cb 0.29 -1.87 0.56 0.00 -0.04 0.00 0.00 33.50 32.45 1yhu n PRO 98 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1yhu n ARG 99 N -2.14 0.55 -3.72 0.54 3.00 -0.32 -4.97 116.66 109.60 1yhu n ARG 99 Ca -0.00 -0.20 -0.23 0.00 -0.01 0.00 0.00 57.85 57.42 1yhu n ARG 99 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.04 1yhu n ARG 99 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1yhu n THR 100 N -1.06 -4.08 -3.90 0.55 -2.24 -0.63 -4.93 114.28 98.00 1yhu n THR 100 Ca 0.13 -0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 1yhu n THR 100 Cb 0.29 -3.36 -0.08 0.00 -2.10 0.00 0.00 70.33 65.09 1yhu n THR 100 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1yhu s ILE 101 N -3.01 5.24 -0.14 2.28 1.01 -1.26 -5.04 121.20 120.28 1yhu s ILE 101 Ca 0.02 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.49 1yhu s ILE 101 Cb -0.01 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 1yhu s ILE 101 CO 0.88 0.53 1.85 -0.62 0.00 0.00 0.00 174.94 177.59 1yhu s ASP 102 N -0.33 6.21 0.59 3.58 3.68 -1.26 -4.83 116.67 124.31 1yhu s ASP 102 Ca 0.10 2.01 0.21 0.00 2.13 0.00 0.00 52.55 57.01 1yhu s ASP 102 Cb -0.12 -2.53 1.15 0.00 -1.45 0.00 0.00 42.92 39.98 1yhu s ASP 102 CO 0.01 -1.34 1.62 1.55 0.13 0.00 0.00 175.17 177.15 1yhu h PRO 103 N 11.58 0.00 -0.31 4.34 0.13 -1.96 0.20 132.00 145.98 1yhu h PRO 103 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1yhu h PRO 103 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1yhu h PRO 103 CO 0.97 0.00 0.12 0.28 -0.23 0.00 0.00 178.00 179.14 1yhu h VAL 104 N 0.00 1.13 -0.83 1.56 2.07 -1.92 -1.11 116.25 117.14 1yhu h VAL 104 Ca 0.00 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.19 1yhu h VAL 104 Cb 0.89 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1yhu h VAL 104 CO 0.00 0.15 0.54 0.78 0.02 0.00 0.00 177.57 179.07 1yhu h ASN 105 N 0.44 0.77 0.47 0.57 -0.26 -0.97 0.15 115.58 116.75 1yhu h ASN 105 Ca 0.11 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1yhu h ASN 105 Cb 0.10 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1yhu h ASN 105 CO -0.01 0.48 0.00 -0.26 -1.06 0.00 0.00 177.43 176.58 1yhu h PHE 106 N 0.87 0.00 0.12 1.19 -1.00 -1.36 -0.24 116.94 116.52 1yhu h PHE 106 Ca 0.37 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.97 1yhu h PHE 106 Cb 0.31 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.89 1yhu h PHE 106 CO -0.00 0.00 -0.79 0.28 -1.61 0.00 0.00 178.31 176.19 1yhu h VAL 107 N 0.00 1.49 -0.40 -0.55 2.07 -0.72 -2.09 116.25 116.05 1yhu h VAL 107 Ca 0.00 -2.46 0.07 0.00 0.82 0.00 0.00 66.70 65.13 1yhu h VAL 107 Cb 0.24 3.10 -0.07 0.00 -1.52 0.00 0.00 31.29 33.04 1yhu h VAL 107 CO 0.00 0.70 -0.02 0.58 0.02 0.00 0.00 177.57 178.85 1yhu h VAL 108 N -0.31 0.68 0.12 2.57 2.07 -0.73 -0.86 116.25 119.78 1yhu h VAL 108 Ca -0.13 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1yhu h VAL 108 Cb 1.60 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1yhu h VAL 108 CO 0.15 0.01 -0.48 0.15 0.02 0.00 0.00 177.57 177.42 1yhu h PHE 109 N 0.08 -1.37 -0.80 1.57 3.57 -1.07 0.47 116.94 119.39 1yhu h PHE 109 Ca 0.20 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.92 1yhu h PHE 109 Cb 0.28 0.59 -0.14 0.00 2.79 0.00 0.00 35.95 39.47 1yhu h PHE 109 CO -0.29 -0.56 -0.02 -0.09 -2.23 0.00 0.00 178.31 175.12 1yhu h ARG 110 N -0.71 0.07 0.73 1.11 2.43 -0.61 0.65 114.38 118.06 1yhu h ARG 110 Ca 0.01 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1yhu h ARG 110 Cb 0.73 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1yhu h ARG 110 CO -0.27 0.05 -0.49 0.87 -1.51 0.00 0.00 179.97 178.61 1yhu h LYS 111 N 0.08 -1.12 -0.84 0.20 1.79 -0.09 -0.38 116.57 116.21 1yhu h LYS 111 Ca 0.44 0.08 0.16 0.00 -2.18 0.00 0.00 60.65 59.14 1yhu h LYS 111 Cb 0.78 0.26 -0.10 0.00 -1.58 0.00 0.00 32.23 31.59 1yhu h LYS 111 CO -0.73 -0.75 0.41 0.00 -1.08 0.00 0.00 179.45 177.30 1yhu h ALA 112 N -1.08 1.27 -0.03 3.86 0.00 0.11 -0.30 119.26 123.09 1yhu h ALA 112 Ca -0.10 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1yhu h ALA 112 Cb 0.95 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1yhu h ALA 112 CO 0.07 -0.16 0.02 1.25 0.00 0.00 0.00 179.25 180.43 1yhu h LEU 113 N 0.55 0.04 -0.40 0.00 5.85 0.56 0.04 115.31 121.94 1yhu h LEU 113 Ca 0.47 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.23 1yhu h LEU 113 Cb 0.72 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 1yhu h LEU 113 CO -0.40 0.07 -0.04 0.40 -0.34 0.00 0.00 178.44 178.13 1yhu h ILE 114 N 0.01 0.65 0.24 4.05 2.04 0.27 0.27 117.51 125.04 1yhu h ILE 114 Ca 0.01 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1yhu h ILE 114 Cb 0.04 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1yhu h ILE 114 CO -0.00 0.01 -0.35 0.00 0.00 0.00 0.00 178.15 177.81 1yhu h ALA 115 N 1.38 -0.96 -0.47 1.87 0.00 -0.65 0.37 119.26 120.80 1yhu h ALA 115 Ca 0.20 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1yhu h ALA 115 Cb 0.29 0.65 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1yhu h ALA 115 CO -0.37 -1.01 -0.00 1.15 0.00 0.00 0.00 179.25 179.02 1yhu h THR 116 N -0.61 0.64 -0.10 0.00 2.02 -0.44 0.41 112.91 114.83 1yhu h THR 116 Ca -0.03 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1yhu h THR 116 Cb 0.56 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1yhu h THR 116 CO -0.10 0.02 -0.05 0.58 0.37 0.00 0.00 175.52 176.34 1yhu h VAL 117 N 0.11 1.32 -0.47 3.16 2.07 -0.40 -1.76 116.25 120.28 1yhu h VAL 117 Ca 0.23 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1yhu h VAL 117 Cb 0.34 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1yhu h VAL 117 CO -0.39 0.31 0.21 0.00 0.02 0.00 0.00 177.57 177.72 1yhu h ALA 118 N 0.63 0.61 -0.19 1.67 0.00 -0.78 1.00 119.26 122.20 1yhu h ALA 118 Ca 0.02 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1yhu h ALA 118 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1yhu h ALA 118 CO 0.02 0.18 0.14 0.78 0.00 0.00 0.00 179.25 180.37 1yhu h GLY 119 N 0.61 0.00 0.37 0.00 0.00 -0.15 -0.31 103.07 103.60 1yhu h GLY 119 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.12 1yhu h GLY 119 CO -0.02 0.00 -2.18 2.41 0.00 0.00 0.00 176.54 176.75 1yhu n THR 120 N -4.45 1.63 0.05 4.70 -1.04 -0.67 -4.56 114.28 109.94 1yhu n THR 120 Ca 0.02 -0.66 -0.14 0.00 -2.04 0.00 0.00 64.05 61.23 1yhu n THR 120 Cb 0.28 -1.45 -0.04 0.00 -1.82 0.00 0.00 70.33 67.30 1yhu n THR 120 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1yhu h PHE 121 N 0.03 0.70 0.00 -1.42 3.04 0.13 -3.48 116.94 115.94 1yhu h PHE 121 Ca -0.48 -0.36 0.00 0.00 3.98 0.00 0.00 57.97 61.11 1yhu h PHE 121 Cb 2.00 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 40.43 1yhu h PHE 121 CO 0.05 1.18 0.00 0.41 -2.02 0.00 0.00 178.31 177.92 1yhu n GLY 122 N 0.89 2.41 0.00 2.40 0.00 -0.15 -4.71 105.19 106.03 1yhu n GLY 122 Ca -0.07 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1yhu n GLY 122 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yhu n VAL 123 N -0.41 1.40 0.32 1.61 0.24 -1.26 -1.06 118.33 119.16 1yhu n VAL 123 Ca 0.00 0.49 0.14 0.00 -2.04 0.00 0.00 64.34 62.93 1yhu n VAL 123 Cb 0.00 -1.49 0.39 0.00 -1.47 0.00 0.00 33.84 31.27 1yhu n VAL 123 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yhu n PHE 125 N -2.88 1.33 -3.01 0.00 -0.00 -0.23 -4.86 117.46 107.82 1yhu n PHE 125 Ca 0.03 0.96 -0.44 0.00 -0.00 0.00 0.00 57.45 57.99 1yhu n PHE 125 Cb 0.42 -2.22 -0.02 0.00 -0.00 0.00 0.00 39.48 37.65 1yhu n PHE 125 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1yhu s ASP 126 N 1.54 6.74 0.14 -2.13 -1.08 -1.26 -4.92 116.67 115.70 1yhu s ASP 126 Ca 0.96 -2.34 -0.29 0.00 -0.52 0.00 0.00 52.55 50.36 1yhu s ASP 126 Cb -1.27 -2.36 -0.04 0.00 -1.46 0.00 0.00 42.92 37.79 1yhu s ASP 126 CO 0.65 -0.91 1.57 0.58 0.52 0.00 0.00 175.17 177.58 1yhu h VAL 127 N 5.41 0.11 -0.43 1.11 2.07 -1.97 -1.15 116.25 121.40 1yhu h VAL 127 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1yhu h VAL 127 Cb 1.00 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1yhu h VAL 127 CO 1.06 0.00 0.22 1.55 0.02 0.00 0.00 177.57 180.42 1yhu h PRO 128 N -0.42 0.42 -0.88 1.57 0.13 -1.99 -0.73 132.00 130.10 1yhu h PRO 128 Ca 0.10 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.26 1yhu h PRO 128 Cb 0.61 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.59 1yhu h PRO 128 CO -0.49 0.28 0.55 0.00 -0.23 0.00 0.00 178.00 178.11 1yhu h ALA 129 N 1.23 1.20 -0.11 -0.56 0.00 -1.80 -0.13 119.26 119.09 1yhu h ALA 129 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1yhu h ALA 129 Cb 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1yhu h ALA 129 CO -0.13 0.32 -0.00 -1.49 0.00 0.00 0.00 179.25 177.94 1yhu h TRP 130 N 1.01 0.22 -0.71 0.00 4.06 -0.70 -1.50 115.95 118.33 1yhu h TRP 130 Ca 0.38 -0.04 0.02 0.00 2.06 0.00 0.00 58.89 61.31 1yhu h TRP 130 Cb 0.14 -0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 28.21 1yhu h TRP 130 CO -0.03 0.45 0.45 1.96 -3.56 0.00 0.00 178.44 177.72 1yhu h GLN 131 N -0.07 0.87 1.00 0.49 4.20 -0.80 0.49 115.11 121.28 1yhu h GLN 131 Ca 0.03 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1yhu h GLN 131 Cb 0.36 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 27.96 1yhu h GLN 131 CO 0.01 0.58 -0.48 0.78 -0.67 0.00 0.00 178.83 179.05 1yhu h GLY 132 N 0.90 -1.40 2.00 3.46 0.00 -0.94 -2.25 103.07 104.85 1yhu h GLY 132 Ca 0.28 0.52 -0.05 0.00 0.00 0.00 0.00 47.33 48.07 1yhu h GLY 132 CO -0.09 -0.51 -0.25 0.00 0.00 0.00 0.00 176.54 175.69 1yhu h TYR 134 N 0.00 1.17 -0.85 0.00 3.20 0.08 -2.64 116.97 117.93 1yhu h TYR 134 Ca -0.00 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 1yhu h TYR 134 Cb 0.66 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1yhu h TYR 134 CO 0.00 0.93 0.43 -0.91 -1.64 0.00 0.00 178.16 176.98 1yhu h ASN 135 N 1.07 1.10 -0.93 -2.11 2.35 -0.78 -0.21 115.58 116.06 1yhu h ASN 135 Ca 0.23 -0.12 0.19 0.00 -0.55 0.00 0.00 56.30 56.05 1yhu h ASN 135 Cb 0.32 -0.28 -0.08 0.00 0.05 0.00 0.00 38.32 38.33 1yhu h ASN 135 CO -0.00 0.91 0.60 0.40 -1.65 0.00 0.00 177.43 177.69 1yhu h ILE 136 N 1.21 0.72 0.01 2.81 1.08 -1.14 0.67 117.51 122.86 1yhu h ILE 136 Ca 0.30 -0.19 -0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1yhu h ILE 136 Cb 0.09 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.94 1yhu h ILE 136 CO -0.04 0.10 -0.19 0.40 -0.69 0.00 0.00 178.15 177.73 1yhu h ILE 137 N 0.57 1.60 -0.67 -0.67 2.04 -1.19 -2.36 117.51 116.82 1yhu h ILE 137 Ca 0.50 -2.01 0.05 0.00 1.00 0.00 0.00 64.86 64.40 1yhu h ILE 137 Cb 1.01 2.90 -0.05 0.00 -0.74 0.00 0.00 36.82 39.94 1yhu h ILE 137 CO -0.24 0.54 0.39 0.00 0.00 0.00 0.00 178.15 178.84 1yhu h ALA 138 N 0.20 0.89 0.47 1.87 0.00 0.15 0.03 119.26 122.87 1yhu h ALA 138 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1yhu h ALA 138 Cb 0.99 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1yhu h ALA 138 CO 0.04 0.09 -0.42 -0.22 0.00 0.00 0.00 179.25 178.74 1yhu h LYS 139 N 0.73 -0.86 -0.85 0.00 1.63 0.22 0.89 116.57 118.33 1yhu h LYS 139 Ca 0.29 0.06 0.19 0.00 -0.85 0.00 0.00 60.65 60.34 1yhu h LYS 139 Cb 0.14 0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 31.91 1yhu h LYS 139 CO -0.16 -0.57 0.57 0.78 -3.45 0.00 0.00 179.45 176.62 1yhu h GLY 140 N -0.89 0.74 1.58 5.01 0.00 -0.83 0.34 103.07 109.02 1yhu h GLY 140 Ca -0.05 -0.17 -0.25 0.00 0.00 0.00 0.00 47.33 46.87 1yhu h GLY 140 CO -0.04 0.01 -1.29 -2.22 0.00 0.00 0.00 176.54 173.00 1yhu h ILE 141 N 0.37 1.37 -1.04 2.60 2.04 -0.49 -3.40 117.51 118.96 1yhu h ILE 141 Ca 0.43 -3.12 -0.36 0.00 1.00 0.00 0.00 64.86 62.81 1yhu h ILE 141 Cb 1.11 2.70 -0.38 0.00 -0.74 0.00 0.00 36.82 39.51 1yhu h ILE 141 CO -0.14 0.80 -1.15 0.35 0.00 0.00 0.00 178.15 178.01 1yhu n THR 142 N -3.26 0.80 0.00 -0.27 -2.24 0.26 -4.24 114.28 105.33 1yhu n THR 142 Ca -0.07 -3.12 0.00 0.00 -2.27 0.00 0.00 64.05 58.59 1yhu n THR 142 Cb 0.99 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1yhu n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yhu n GLY 143 N -0.05 0.00 0.00 3.38 0.00 0.11 -4.81 105.19 103.83 1yhu n GLY 143 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1yhu n GLY 143 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yhu n SER 144 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.06 113.62 111.79 1yhu n SER 144 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1yhu n SER 144 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1yhu n SER 144 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1yhu n ASP 145 N 0.00 0.00 0.00 -3.46 5.75 -1.26 -4.76 116.55 112.82 1yhu n ASP 145 Ca 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 54.79 55.54 1yhu n ASP 145 Cb 0.00 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 1yhu n ASP 145 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yhu n ALA 146 N -1.35 0.67 -1.64 2.12 0.00 -1.26 -5.11 120.51 113.93 1yhu n ALA 146 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1yhu n ALA 146 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yhu n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50