#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhu n ALA 2 N 0.00 0.00 -2.41 0.00 0.00 -1.26 -5.07 120.51 111.77 1yhu n ALA 2 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1yhu n ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1yhu n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1yhu s SER 3 N -1.06 3.00 -0.74 0.00 1.04 -1.26 -5.00 113.70 109.68 1yhu s SER 3 Ca 0.00 -0.99 -0.26 0.00 0.48 0.00 0.00 55.95 55.18 1yhu s SER 3 Cb 0.00 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1yhu s SER 3 CO 0.00 -0.06 1.94 0.00 0.98 0.00 0.00 173.24 176.11 1yhu s THR 5 N 9.87 3.84 0.15 0.00 -4.23 -1.26 -4.81 115.64 119.20 1yhu s THR 5 Ca 0.71 0.60 -0.21 0.00 -1.18 0.00 0.00 61.69 61.61 1yhu s THR 5 Cb -0.10 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.31 1yhu s THR 5 CO 0.11 -0.78 1.65 0.74 -0.54 0.00 0.00 174.62 175.80 1yhu h THR 6 N -0.70 0.52 -0.59 3.99 2.02 -1.99 0.20 112.91 116.35 1yhu h THR 6 Ca -0.45 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.85 1yhu h THR 6 Cb 1.23 0.52 -0.09 0.00 -1.74 0.00 0.00 68.15 68.06 1yhu h THR 6 CO 0.60 0.00 0.04 -0.33 0.37 0.00 0.00 175.52 176.20 1yhu h GLU 7 N -0.16 0.15 -0.13 6.66 3.07 -2.00 -0.68 114.58 121.48 1yhu h GLU 7 Ca 0.14 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.02 1yhu h GLU 7 Cb 0.37 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 1yhu h GLU 7 CO -0.34 0.10 -0.08 -0.44 -1.40 0.00 0.00 179.01 176.84 1yhu h ASP 8 N 0.16 -0.26 -0.64 1.42 3.45 -1.29 -1.96 116.42 117.30 1yhu h ASP 8 Ca 0.31 0.06 0.08 0.00 0.43 0.00 0.00 57.03 57.91 1yhu h ASP 8 Cb 0.48 0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 39.33 1yhu h ASP 8 CO -0.47 -0.11 0.31 0.03 -1.57 0.00 0.00 179.24 177.42 1yhu h ARG 9 N -0.08 0.53 -0.33 3.56 -0.00 0.70 0.55 114.38 119.31 1yhu h ARG 9 Ca 0.08 -0.03 0.06 0.00 -0.50 0.00 0.00 59.98 59.59 1yhu h ARG 9 Cb 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 29.97 29.99 1yhu h ARG 9 CO -0.18 0.35 -0.01 -0.09 0.00 0.00 0.00 179.97 180.04 1yhu h ARG 10 N 0.55 0.08 0.49 0.04 9.65 -0.79 0.46 114.38 124.86 1yhu h ARG 10 Ca 0.31 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.16 1yhu h ARG 10 Cb 0.29 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1yhu h ARG 10 CO -0.24 0.06 -0.27 0.93 2.80 0.00 0.00 179.97 183.25 1yhu h GLU 11 N 0.09 -0.68 -0.58 0.20 4.39 -0.41 -1.77 114.58 115.82 1yhu h GLU 11 Ca 0.16 0.05 0.11 0.00 0.34 0.00 0.00 59.36 60.02 1yhu h GLU 11 Cb 0.22 0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 28.91 1yhu h GLU 11 CO -0.27 -0.45 -0.25 1.98 -1.16 0.00 0.00 179.01 178.86 1yhu h MET 12 N -0.70 -0.10 -0.96 2.33 4.05 0.57 0.89 114.93 121.01 1yhu h MET 12 Ca -0.06 0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.50 1yhu h MET 12 Cb 0.56 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.30 1yhu h MET 12 CO 0.08 -0.07 0.61 1.96 0.23 0.00 0.00 176.91 179.73 1yhu h GLN 13 N -0.10 0.82 0.13 0.39 4.20 0.29 -2.29 115.11 118.55 1yhu h GLN 13 Ca 0.26 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1yhu h GLN 13 Cb 0.51 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1yhu h GLN 13 CO -0.64 0.54 -0.06 -0.07 -0.67 0.00 0.00 178.83 177.93 1yhu h LEU 14 N 0.84 -0.15 -0.97 1.46 4.07 -0.00 -0.47 115.31 120.09 1yhu h LEU 14 Ca 0.48 -0.38 0.32 0.00 0.08 0.00 0.00 57.88 58.39 1yhu h LEU 14 Cb 0.63 0.04 -0.16 0.00 1.08 0.00 0.00 40.66 42.25 1yhu h LEU 14 CO -0.25 0.46 0.40 0.24 -1.08 0.00 0.00 178.44 178.21 1yhu h MET 15 N -0.91 0.16 0.10 1.13 2.86 -1.00 -0.04 114.93 117.24 1yhu h MET 15 Ca -0.02 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1yhu h MET 15 Cb 0.52 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1yhu h MET 15 CO 0.03 0.11 -0.05 2.35 1.06 0.00 0.00 176.91 180.41 1yhu h TRP 16 N 0.16 -0.12 -0.90 -0.22 2.91 -1.47 -3.31 115.95 113.00 1yhu h TRP 16 Ca 0.70 -0.00 0.26 0.00 1.13 0.00 0.00 58.89 60.98 1yhu h TRP 16 Cb 1.63 0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 30.29 1yhu h TRP 16 CO -0.14 0.34 0.65 0.78 -1.03 0.00 0.00 178.44 179.03 1yhu h GLY 17 N -0.93 0.07 1.57 2.65 0.00 0.22 -1.63 103.07 105.02 1yhu h GLY 17 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 47.33 47.11 1yhu h GLY 17 CO 0.02 -0.00 -0.79 3.43 0.00 0.00 0.00 176.54 179.20 1yhu h ASN 18 N 0.03 0.50 0.55 0.19 -0.26 -1.14 -3.18 115.58 112.27 1yhu h ASN 18 Ca 0.43 -0.35 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1yhu h ASN 18 Cb 1.68 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.79 1yhu h ASN 18 CO -0.02 1.11 -0.55 1.33 -1.06 0.00 0.00 177.43 178.25 1yhu n VAL 19 N -3.81 0.06 -2.15 2.81 0.24 -0.72 -4.89 118.33 109.87 1yhu n VAL 19 Ca -0.05 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.34 61.79 1yhu n VAL 19 Cb 0.75 0.19 -0.02 0.00 -1.47 0.00 0.00 33.84 33.29 1yhu n VAL 19 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1yhu s TRP 20 N -3.03 3.08 -0.32 6.34 -0.11 -0.69 -4.88 118.94 119.32 1yhu s TRP 20 Ca 0.10 1.44 -0.03 0.00 1.22 0.00 0.00 56.10 58.84 1yhu s TRP 20 Cb 0.17 -3.64 0.06 0.00 -1.50 0.00 0.00 33.47 28.55 1yhu s TRP 20 CO 0.71 -1.75 0.04 0.45 -4.62 0.00 0.00 176.95 171.78 1yhu s SER 21 N -0.55 5.00 0.43 5.86 0.15 -1.26 -4.99 113.70 118.34 1yhu s SER 21 Ca 0.49 -1.35 0.28 0.00 0.70 0.00 0.00 55.95 56.07 1yhu s SER 21 Cb -0.39 -1.75 0.89 0.00 -1.71 0.00 0.00 66.02 63.06 1yhu s SER 21 CO 0.51 -0.31 1.79 0.00 1.20 0.00 0.00 173.24 176.44 1yhu h ALA 22 N 8.04 1.00 0.00 5.45 0.00 -1.96 -3.34 119.26 128.44 1yhu h ALA 22 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1yhu h ALA 22 Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1yhu h ALA 22 CO 0.56 0.00 -1.70 1.04 0.00 0.00 0.00 179.25 179.15 1yhu n GLN 23 N -2.87 0.53 -4.14 0.00 6.02 -1.26 -5.04 117.38 110.61 1yhu n GLN 23 Ca 0.03 -0.13 -0.10 0.00 -0.01 0.00 0.00 57.00 56.79 1yhu n GLN 23 Cb 0.39 -1.36 -0.10 0.00 1.02 0.00 0.00 30.24 30.19 1yhu n GLN 23 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1yhu s PHE 24 N -3.00 0.80 -1.15 1.08 0.40 -1.26 -5.04 117.98 109.81 1yhu s PHE 24 Ca -0.06 -0.90 0.28 0.00 -0.60 0.00 0.00 56.93 55.65 1yhu s PHE 24 Cb 0.09 -0.48 1.02 0.00 0.51 0.00 0.00 43.02 44.16 1yhu s PHE 24 CO 0.62 -0.19 1.76 0.25 0.70 0.00 0.00 175.22 178.36 1yhu n THR 25 N 0.13 0.00 0.00 0.64 -2.24 -1.26 -4.58 114.28 106.97 1yhu n THR 25 Ca -0.14 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1yhu n THR 25 Cb 0.60 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1yhu n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yhu n GLY 26 N 1.45 -3.44 0.34 3.38 0.00 -1.26 -1.37 105.19 104.28 1yhu n GLY 26 Ca 0.08 0.64 0.08 0.00 0.00 0.00 0.00 46.02 46.82 1yhu n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yhu h ARG 27 N 0.00 0.80 0.16 1.61 3.08 -1.94 -1.39 114.38 116.70 1yhu h ARG 27 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1yhu h ARG 27 Cb 0.00 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.83 1yhu h ARG 27 CO 0.00 0.53 -0.48 0.00 -1.07 0.00 0.00 179.97 178.96 1yhu h ARG 28 N 0.83 -0.69 -0.81 0.04 3.08 -1.75 0.22 114.38 115.29 1yhu h ARG 28 Ca 0.49 0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.67 1yhu h ARG 28 Cb 0.60 0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.74 1yhu h ARG 28 CO -0.31 -0.46 0.47 0.82 -1.07 0.00 0.00 179.97 179.42 1yhu h ILE 29 N -0.72 0.96 -0.39 2.04 2.04 -0.77 0.17 117.51 120.83 1yhu h ILE 29 Ca -0.01 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.61 1yhu h ILE 29 Cb 0.70 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1yhu h ILE 29 CO -0.23 0.15 0.13 0.00 0.00 0.00 0.00 178.15 178.20 1yhu h ALA 30 N 1.42 0.46 -0.09 1.87 0.00 -0.38 0.10 119.26 122.64 1yhu h ALA 30 Ca 0.38 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1yhu h ALA 30 Cb 0.28 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1yhu h ALA 30 CO -0.22 -0.26 -0.09 0.82 0.00 0.00 0.00 179.25 179.50 1yhu h ILE 31 N 0.28 1.36 -0.32 0.00 2.04 0.08 -2.31 117.51 118.63 1yhu h ILE 31 Ca 0.18 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.86 1yhu h ILE 31 Cb 0.17 1.99 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 1yhu h ILE 31 CO -0.19 0.35 -0.13 0.00 0.00 0.00 0.00 178.15 178.17 1yhu h ALA 32 N 0.57 0.13 -0.14 1.87 0.00 -0.46 -1.50 119.26 119.74 1yhu h ALA 32 Ca 0.01 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1yhu h ALA 32 Cb 0.61 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1yhu h ALA 32 CO 0.02 -0.52 0.09 1.96 0.00 0.00 0.00 179.25 180.80 1yhu h GLN 33 N -0.08 0.19 -1.00 0.00 4.20 -1.02 -0.93 115.11 116.48 1yhu h GLN 33 Ca 0.16 -0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.06 1yhu h GLN 33 Cb 0.32 -0.04 -0.11 0.00 0.30 0.00 0.00 27.48 27.95 1yhu h GLN 33 CO -0.38 0.15 0.60 0.00 -0.67 0.00 0.00 178.83 178.54 1yhu h ALA 34 N 1.02 1.68 0.64 3.87 0.00 -0.84 0.49 119.26 126.13 1yhu h ALA 34 Ca 0.05 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1yhu h ALA 34 Cb 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1yhu h ALA 34 CO -0.01 -0.09 -0.31 0.28 0.00 0.00 0.00 179.25 179.13 1yhu h VAL 35 N 0.73 0.00 -0.80 0.00 2.07 -0.69 -2.53 116.25 115.03 1yhu h VAL 35 Ca 0.59 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.86 1yhu h VAL 35 Cb 0.95 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 1yhu h VAL 35 CO -0.40 0.00 0.46 -0.26 0.02 0.00 0.00 177.57 177.39 1yhu h PHE 36 N -1.20 0.83 -0.64 1.57 0.04 -0.56 0.24 116.94 117.23 1yhu h PHE 36 Ca -0.09 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.79 1yhu h PHE 36 Cb 0.66 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.49 1yhu h PHE 36 CO 0.01 0.36 0.31 -0.22 -0.60 0.00 0.00 178.31 178.16 1yhu h LYS 37 N 0.79 0.53 -0.31 1.51 3.64 -0.09 0.24 116.57 122.88 1yhu h LYS 37 Ca 0.38 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.59 1yhu h LYS 37 Cb 0.32 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1yhu h LYS 37 CO -0.23 0.35 -0.36 0.22 -2.27 0.00 0.00 179.45 177.16 1yhu h ASP 38 N 0.55 0.74 0.41 4.20 1.82 -0.68 -2.29 116.42 121.17 1yhu h ASP 38 Ca 0.30 -0.32 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1yhu h ASP 38 Cb 0.29 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1yhu h ASP 38 CO -0.24 1.03 -0.20 0.25 -1.61 0.00 0.00 179.24 178.47 1yhu h LEU 39 N 0.58 -0.46 -2.27 2.28 5.85 0.63 -2.49 115.31 119.43 1yhu h LEU 39 Ca 0.06 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1yhu h LEU 39 Cb 0.89 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1yhu h LEU 39 CO 0.08 -0.22 0.20 -0.26 -0.34 0.00 0.00 178.44 177.90 1yhu h PHE 40 N -0.69 0.00 0.11 1.25 0.04 -0.57 -0.12 116.94 116.95 1yhu h PHE 40 Ca -0.06 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.42 1yhu h PHE 40 Cb 0.50 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.68 1yhu h PHE 40 CO -0.01 0.00 -1.21 0.00 -0.60 0.00 0.00 178.31 176.48 1yhu h ALA 41 N 1.74 0.01 -0.00 2.45 0.00 -1.07 -3.31 119.26 119.08 1yhu h ALA 41 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1yhu h ALA 41 Cb 0.47 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1yhu h ALA 41 CO -0.00 0.68 -0.44 0.09 0.00 0.00 0.00 179.25 179.58 1yhu n ASN 42 N -3.81 0.46 -3.50 0.00 4.13 -0.65 -4.55 115.26 107.34 1yhu n ASN 42 Ca -0.13 -0.19 -0.29 0.00 1.68 0.00 0.00 54.58 55.65 1yhu n ASN 42 Cb 0.97 0.16 -0.12 0.00 -1.54 0.00 0.00 39.78 39.25 1yhu n ASN 42 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1yhu s VAL 43 N -2.98 0.36 0.01 2.41 1.01 -0.15 -5.06 120.40 116.00 1yhu s VAL 43 Ca 0.12 -1.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.17 1yhu s VAL 43 Cb 0.18 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1yhu s VAL 43 CO 0.67 -0.99 1.04 1.55 0.00 0.00 0.00 175.10 177.37 1yhu h PRO 44 N 6.89 -0.01 0.00 2.72 0.13 -1.80 -2.04 132.00 137.88 1yhu h PRO 44 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1yhu h PRO 44 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1yhu h PRO 44 CO 0.30 -0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 177.67 1yhu n ASP 45 N -3.03 0.00 -0.05 1.44 5.68 -1.26 -3.22 116.55 116.12 1yhu n ASP 45 Ca -0.00 -0.19 -0.12 0.00 -0.50 0.00 0.00 54.79 53.97 1yhu n ASP 45 Cb 0.02 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.94 1yhu n ASP 45 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yhu h ALA 46 N 2.02 0.19 -1.11 2.12 0.00 -1.71 -2.99 119.26 117.78 1yhu h ALA 46 Ca 0.00 -0.23 0.31 0.00 0.00 0.00 0.00 54.91 54.99 1yhu h ALA 46 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1yhu h ALA 46 CO 0.00 -0.06 0.77 0.28 0.00 0.00 0.00 179.25 180.24 1yhu h VAL 47 N -0.04 0.45 0.00 0.00 2.07 -1.73 0.27 116.25 117.28 1yhu h VAL 47 Ca 0.04 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1yhu h VAL 47 Cb 0.45 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1yhu h VAL 47 CO 0.01 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1yhu n GLY 48 N -1.66 -0.90 0.11 2.17 0.00 -1.13 -2.08 105.19 101.70 1yhu n GLY 48 Ca 0.25 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 1yhu n GLY 48 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yhu h LEU 49 N 0.00 0.00 -3.88 0.99 3.38 -0.62 -3.34 115.31 111.85 1yhu h LEU 49 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1yhu h LEU 49 Cb 0.05 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.52 1yhu h LEU 49 CO 0.00 0.68 0.69 0.49 0.09 0.00 0.00 178.44 180.39 1yhu n PHE 50 N -3.19 2.90 -0.17 1.13 3.01 -0.88 -4.55 117.46 115.70 1yhu n PHE 50 Ca -0.02 -2.22 -0.07 0.00 1.01 0.00 0.00 57.45 56.15 1yhu n PHE 50 Cb 0.83 -1.10 0.02 0.00 -0.01 0.00 0.00 39.48 39.22 1yhu n PHE 50 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1yhu h GLY 51 N 1.59 0.72 1.28 1.37 0.00 -1.72 0.04 103.07 106.35 1yhu h GLY 51 Ca 0.58 -0.27 0.07 0.00 0.00 0.00 0.00 47.33 47.71 1yhu h GLY 51 CO 1.21 0.27 0.29 0.00 0.00 0.00 0.00 176.54 178.31 1yhu h ALA 52 N 1.18 1.91 -0.41 3.60 0.00 -1.92 -2.04 119.26 121.58 1yhu h ALA 52 Ca 0.19 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.79 1yhu h ALA 52 Cb -0.07 0.02 -0.24 0.00 0.00 0.00 0.00 17.79 17.50 1yhu h ALA 52 CO -0.04 -0.42 -0.68 1.33 0.00 0.00 0.00 179.25 179.44 1yhu n VAL 53 N -3.76 2.36 -4.04 0.00 0.24 -0.77 -4.99 118.33 107.37 1yhu n VAL 53 Ca 0.04 -3.75 -0.38 0.00 -2.04 0.00 0.00 64.34 58.20 1yhu n VAL 53 Cb 0.43 -0.70 -0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1yhu n VAL 53 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1yhu n LYS 54 N -0.89 -0.92 0.00 7.34 5.02 -0.77 -2.69 118.16 125.25 1yhu n LYS 54 Ca 0.32 0.19 0.04 0.00 -2.02 0.00 0.00 58.31 56.84 1yhu n LYS 54 Cb 0.84 -3.27 0.23 0.00 -0.02 0.00 0.00 35.03 32.81 1yhu n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yhu n GLY 55 N -2.11 -0.41 0.11 0.72 0.00 -0.07 -1.98 105.19 101.46 1yhu n GLY 55 Ca -0.18 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1yhu n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yhu h ASP 56 N 0.00 0.30 -2.74 1.61 3.32 -1.87 -3.39 116.42 113.65 1yhu h ASP 56 Ca 0.00 -0.84 -0.77 0.00 0.02 0.00 0.00 57.03 55.45 1yhu h ASP 56 Cb 0.04 -0.10 -0.22 0.00 0.22 0.00 0.00 39.33 39.27 1yhu h ASP 56 CO 0.00 1.51 0.99 -0.62 -1.72 0.00 0.00 179.24 179.40 1yhu n GLU 57 N -4.09 3.49 0.30 3.56 1.02 -0.84 -4.85 120.64 119.23 1yhu n GLU 57 Ca -0.23 -4.11 0.15 0.00 -0.02 0.00 0.00 57.16 52.95 1yhu n GLU 57 Cb 0.82 -2.82 0.79 0.00 -0.02 0.00 0.00 31.44 30.21 1yhu n GLU 57 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1yhu h VAL 58 N 4.16 0.00 -0.55 2.62 -1.51 -1.76 0.48 116.25 119.68 1yhu h VAL 58 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 1yhu h VAL 58 Cb 0.85 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1yhu h VAL 58 CO 1.17 0.00 0.00 -3.20 -1.23 0.00 0.00 177.57 174.31 1yhu n ASN 59 N -2.74 3.61 -4.79 4.19 5.15 -1.26 -4.36 115.26 115.06 1yhu n ASN 59 Ca -0.02 -1.99 -0.34 0.00 -0.60 0.00 0.00 54.58 51.63 1yhu n ASN 59 Cb 0.30 -0.36 -0.03 0.00 -0.53 0.00 0.00 39.78 39.15 1yhu n ASN 59 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1yhu s SER 60 N -1.24 6.27 0.19 1.20 1.04 0.17 -4.86 113.70 116.47 1yhu s SER 60 Ca 0.43 1.97 -0.12 0.00 0.48 0.00 0.00 55.95 58.72 1yhu s SER 60 Cb 0.24 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.95 1yhu s SER 60 CO 0.32 -0.83 1.83 0.78 0.98 0.00 0.00 173.24 176.32 1yhu h ASN 61 N 1.55 0.59 -0.62 7.02 -0.26 -1.92 -0.16 115.58 121.77 1yhu h ASN 61 Ca -0.50 0.01 0.13 0.00 -0.56 0.00 0.00 56.30 55.38 1yhu h ASN 61 Cb 1.23 -0.12 -0.11 0.00 -1.06 0.00 0.00 38.32 38.26 1yhu h ASN 61 CO 0.59 0.41 -0.01 -0.33 -1.06 0.00 0.00 177.43 177.03 1yhu h GLU 62 N 0.72 0.10 -0.04 0.81 3.07 -1.92 0.33 114.58 117.65 1yhu h GLU 62 Ca 0.25 -0.01 -0.25 0.00 -0.50 0.00 0.00 59.36 58.85 1yhu h GLU 62 Cb 0.04 -0.02 0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1yhu h GLU 62 CO -0.11 0.07 -0.96 0.35 -1.40 0.00 0.00 179.01 176.96 1yhu h PHE 63 N 0.11 1.05 0.03 4.33 3.57 -1.23 -2.43 116.94 122.37 1yhu h PHE 63 Ca 0.32 -0.54 0.03 0.00 3.53 0.00 0.00 57.97 61.31 1yhu h PHE 63 Cb 0.52 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1yhu h PHE 63 CO -0.38 1.37 -0.24 0.87 -2.23 0.00 0.00 178.31 177.71 1yhu h LYS 64 N 0.42 -0.37 -1.00 1.11 1.57 -0.53 0.41 116.57 118.17 1yhu h LYS 64 Ca -0.11 0.03 0.22 0.00 -1.87 0.00 0.00 60.65 58.92 1yhu h LYS 64 Cb 1.61 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.90 1yhu h LYS 64 CO 0.19 -0.25 0.62 0.00 -0.57 0.00 0.00 179.45 179.44 1yhu h ALA 65 N 0.44 1.89 0.30 3.86 0.00 -0.96 0.13 119.26 124.92 1yhu h ALA 65 Ca 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1yhu h ALA 65 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1yhu h ALA 65 CO -0.19 -0.29 -0.14 1.25 0.00 0.00 0.00 179.25 179.88 1yhu h HIS 66 N 0.60 -0.37 -0.38 0.00 -0.00 -0.24 -0.95 115.15 113.80 1yhu h HIS 66 Ca 0.59 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 61.03 1yhu h HIS 66 Cb 1.15 0.12 -0.09 0.00 -0.00 0.00 0.00 27.41 28.60 1yhu h HIS 66 CO -0.00 -0.12 -0.28 0.00 -0.00 0.00 0.00 177.93 177.53 1yhu h ILE 68 N -0.22 0.37 -0.70 0.00 1.08 -0.69 0.19 117.51 117.53 1yhu h ILE 68 Ca 0.18 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.62 1yhu h ILE 68 Cb 0.51 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1yhu h ILE 68 CO -0.51 0.00 0.34 0.03 -0.69 0.00 0.00 178.15 177.32 1yhu h ARG 69 N 0.01 0.99 0.44 2.37 3.08 0.73 -0.63 114.38 121.37 1yhu h ARG 69 Ca 0.31 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1yhu h ARG 69 Cb 0.48 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1yhu h ARG 69 CO -0.65 0.76 -0.21 0.28 -1.07 0.00 0.00 179.97 179.08 1yhu h VAL 70 N 0.98 0.40 -0.83 2.04 2.07 0.18 -0.78 116.25 120.31 1yhu h VAL 70 Ca 0.24 -0.54 0.15 0.00 0.82 0.00 0.00 66.70 67.37 1yhu h VAL 70 Cb 0.10 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 30.36 1yhu h VAL 70 CO -0.03 0.07 0.41 0.58 0.02 0.00 0.00 177.57 178.62 1yhu h VAL 71 N -0.97 0.70 -0.17 2.57 2.07 -0.75 0.90 116.25 120.61 1yhu h VAL 71 Ca -0.06 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1yhu h VAL 71 Cb 0.57 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1yhu h VAL 71 CO 0.10 0.11 0.08 -1.13 0.02 0.00 0.00 177.57 176.75 1yhu h ASN 72 N 0.58 0.13 -0.36 0.57 -1.24 -1.03 -0.89 115.58 113.34 1yhu h ASN 72 Ca 0.46 0.01 0.07 0.00 0.71 0.00 0.00 56.30 57.54 1yhu h ASN 72 Cb 0.67 -0.02 -0.06 0.00 0.73 0.00 0.00 38.32 39.64 1yhu h ASN 72 CO -0.38 0.10 -0.02 1.23 -1.29 0.00 0.00 177.43 177.08 1yhu h GLY 73 N 0.18 0.34 1.24 1.57 0.00 0.64 0.18 103.07 107.22 1yhu h GLY 73 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1yhu h GLY 73 CO -0.05 -0.09 0.34 -2.00 0.00 0.00 0.00 176.54 174.74 1yhu h LEU 74 N 0.08 0.89 -0.39 3.11 5.85 -0.86 -1.47 115.31 122.53 1yhu h LEU 74 Ca 0.18 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1yhu h LEU 74 Cb 0.25 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1yhu h LEU 74 CO -0.31 0.75 0.25 -0.78 -0.34 0.00 0.00 178.44 178.02 1yhu h ASP 75 N 0.99 0.45 -0.36 1.25 3.58 -0.03 0.05 116.42 122.35 1yhu h ASP 75 Ca 0.24 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.75 1yhu h ASP 75 Cb 0.09 -0.11 -0.08 0.00 1.72 0.00 0.00 39.33 40.94 1yhu h ASP 75 CO -0.03 0.34 -0.25 0.28 -2.88 0.00 0.00 179.24 176.69 1yhu h SER 76 N 0.52 -0.83 0.14 2.28 0.02 0.02 -0.65 113.55 115.06 1yhu h SER 76 Ca 0.14 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1yhu h SER 76 Cb -0.05 0.41 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1yhu h SER 76 CO -0.03 -0.27 -0.07 0.77 -1.14 0.00 0.00 176.83 176.09 1yhu h SER 77 N -0.20 -0.16 -0.30 3.07 4.64 -1.13 -1.42 113.55 118.04 1yhu h SER 77 Ca 0.18 -0.23 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 1yhu h SER 77 Cb 0.48 0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.53 1yhu h SER 77 CO -0.48 0.15 -0.24 0.40 -0.87 0.00 0.00 176.83 175.79 1yhu h ILE 78 N -0.48 0.38 -0.16 0.95 2.04 -0.71 0.12 117.51 119.65 1yhu h ILE 78 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1yhu h ILE 78 Cb 0.38 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1yhu h ILE 78 CO 0.03 0.00 -0.13 1.23 0.00 0.00 0.00 178.15 179.28 1yhu h GLY 79 N -0.22 0.26 1.59 5.37 0.00 -1.15 -2.08 103.07 106.84 1yhu h GLY 79 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yhu h GLY 79 CO -0.43 0.15 0.00 -0.10 0.00 0.00 0.00 176.54 176.16 1yhu n LEU 80 N -4.27 0.00 0.30 3.11 7.94 0.26 -3.13 117.00 121.22 1yhu n LEU 80 Ca -0.01 0.30 0.16 0.00 -1.11 0.00 0.00 56.01 55.35 1yhu n LEU 80 Cb 0.27 -0.30 0.96 0.00 0.53 0.00 0.00 43.42 44.88 1yhu n LEU 80 CO 0.38 -0.06 1.13 -0.07 -1.11 0.00 0.00 177.39 177.66 1yhu h LEU 81 N 0.00 0.00 -0.08 -1.96 3.38 -0.38 0.65 115.31 116.92 1yhu h LEU 81 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yhu h LEU 81 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1yhu h LEU 81 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 1yhu n SER 82 N -3.75 0.21 -3.24 -0.43 7.64 -1.18 -3.94 113.62 108.94 1yhu n SER 82 Ca -0.03 0.53 -0.25 0.00 1.01 0.00 0.00 58.87 60.14 1yhu n SER 82 Cb 0.08 -0.59 -0.08 0.00 -1.01 0.00 0.00 64.21 62.62 1yhu n SER 82 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1yhu n ASP 83 N -1.71 0.20 -0.30 6.43 4.64 0.22 -5.01 116.55 121.01 1yhu n ASP 83 Ca 0.05 -2.66 0.11 0.00 -1.38 0.00 0.00 54.79 50.91 1yhu n ASP 83 Cb 0.29 -0.63 0.25 0.00 -1.04 0.00 0.00 41.12 39.99 1yhu n ASP 83 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1yhu h PRO 84 N 4.31 0.09 -0.65 -0.67 0.11 -1.68 0.12 132.00 133.63 1yhu h PRO 84 Ca 0.11 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.35 1yhu h PRO 84 Cb 0.88 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 31.85 1yhu h PRO 84 CO 0.46 0.06 -0.12 0.00 -0.21 0.00 0.00 178.00 178.19 1yhu h ALA 85 N 1.85 0.49 0.05 -0.75 0.00 -1.95 0.20 119.26 119.14 1yhu h ALA 85 Ca 0.53 0.24 -0.23 0.00 0.00 0.00 0.00 54.91 55.45 1yhu h ALA 85 Cb 1.04 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1yhu h ALA 85 CO -0.77 -0.42 -1.05 1.15 0.00 0.00 0.00 179.25 178.16 1yhu h THR 86 N 0.03 1.58 -0.32 0.00 2.02 -1.52 -3.22 112.91 111.48 1yhu h THR 86 Ca 0.32 -3.07 0.04 0.00 0.77 0.00 0.00 66.41 64.47 1yhu h THR 86 Cb 0.50 2.77 -0.04 0.00 -1.74 0.00 0.00 68.15 69.65 1yhu h THR 86 CO -0.64 0.89 0.08 0.25 0.37 0.00 0.00 175.52 176.46 1yhu h LEU 87 N 0.05 0.04 -0.60 2.58 5.85 0.54 -1.42 115.31 122.36 1yhu h LEU 87 Ca -0.06 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.83 1yhu h LEU 87 Cb 1.76 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 42.74 1yhu h LEU 87 CO 0.16 0.06 -0.07 0.78 -0.34 0.00 0.00 178.44 179.02 1yhu h ASN 88 N 0.20 -0.41 0.01 1.25 -0.26 -0.69 0.47 115.58 116.14 1yhu h ASN 88 Ca 0.15 0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 56.05 1yhu h ASN 88 Cb 0.15 0.32 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1yhu h ASN 88 CO -0.18 -0.16 -0.00 -0.33 -1.06 0.00 0.00 177.43 175.70 1yhu h GLU 89 N 0.06 -0.01 -0.33 0.81 4.39 -1.46 -1.15 114.58 116.89 1yhu h GLU 89 Ca 0.30 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.04 1yhu h GLU 89 Cb 0.48 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1yhu h GLU 89 CO -0.56 0.04 0.12 0.37 -1.16 0.00 0.00 179.01 177.81 1yhu h GLN 90 N -0.05 0.26 -0.55 2.33 5.75 -0.04 -1.33 115.11 121.47 1yhu h GLN 90 Ca -0.00 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1yhu h GLN 90 Cb 0.05 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1yhu h GLN 90 CO 0.00 0.17 0.14 -0.07 -2.65 0.00 0.00 178.83 176.43 1yhu h LEU 91 N 0.27 0.78 -0.97 -2.39 3.38 -0.05 -1.53 115.31 114.80 1yhu h LEU 91 Ca 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1yhu h LEU 91 Cb 0.11 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1yhu h LEU 91 CO -0.14 0.76 0.56 -1.28 0.09 0.00 0.00 178.44 178.43 1yhu h SER 92 N 0.81 1.13 0.14 -0.43 0.87 -0.63 0.43 113.55 115.88 1yhu h SER 92 Ca 0.18 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1yhu h SER 92 Cb 0.28 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1yhu h SER 92 CO -0.00 0.87 -0.07 -0.74 -0.53 0.00 0.00 176.83 176.35 1yhu h HIS 93 N 1.29 -0.18 -0.89 2.24 -0.00 -0.60 -1.19 115.15 115.82 1yhu h HIS 93 Ca 0.34 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.81 1yhu h HIS 93 Cb -0.05 0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 27.34 1yhu h HIS 93 CO 0.01 0.05 0.53 -0.07 -0.00 0.00 0.00 177.93 178.44 1yhu h LEU 94 N -0.39 0.76 -0.12 0.26 3.38 -0.80 -0.99 115.31 117.40 1yhu h LEU 94 Ca -0.02 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1yhu h LEU 94 Cb 0.31 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1yhu h LEU 94 CO 0.03 0.41 -0.17 0.00 0.09 0.00 0.00 178.44 178.81 1yhu h ALA 95 N 1.50 -0.10 -0.73 1.53 0.00 0.31 -1.70 119.26 120.07 1yhu h ALA 95 Ca 0.44 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.45 1yhu h ALA 95 Cb 0.44 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1yhu h ALA 95 CO -0.27 -0.62 0.44 1.15 0.00 0.00 0.00 179.25 179.95 1yhu h THR 96 N -0.21 1.02 0.00 0.00 2.02 -0.11 0.15 112.91 115.78 1yhu h THR 96 Ca 0.09 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1yhu h THR 96 Cb 0.35 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1yhu h THR 96 CO -0.25 0.15 -0.02 1.56 0.37 0.00 0.00 175.52 177.33 1yhu h GLN 97 N 0.82 0.00 0.00 6.66 4.20 -0.54 -2.37 115.11 123.88 1yhu h GLN 97 Ca 0.32 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.78 1yhu h GLN 97 Cb 0.14 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 1yhu h GLN 97 CO -0.16 0.02 -1.97 0.72 -0.67 0.00 0.00 178.83 176.78 1yhu n HIS 98 N -3.62 0.42 0.23 2.96 8.25 -0.21 -4.05 115.22 119.20 1yhu n HIS 98 Ca -0.03 0.14 0.06 0.00 -0.26 0.00 0.00 57.72 57.64 1yhu n HIS 98 Cb 0.12 -0.98 0.52 0.00 1.12 0.00 0.00 29.99 30.77 1yhu n HIS 98 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1yhu h LYS 99 N 0.00 0.00 0.00 -0.41 1.57 -0.28 -2.27 116.57 115.18 1yhu h LYS 99 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1yhu h LYS 99 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1yhu h LYS 99 CO 0.04 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.10 1yhu n ALA 100 N -2.48 2.00 -3.44 3.86 0.00 -1.04 -4.61 120.51 114.81 1yhu n ALA 100 Ca -0.02 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 1yhu n ALA 100 Cb 0.25 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 1yhu n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1yhu s ARG 101 N -2.70 2.80 0.07 0.00 1.81 -0.85 -5.08 118.95 114.99 1yhu s ARG 101 Ca 0.16 -1.03 -0.31 0.00 -1.72 0.00 0.00 55.73 52.83 1yhu s ARG 101 Cb 0.13 -3.24 -0.07 0.00 -0.45 0.00 0.00 34.95 31.32 1yhu s ARG 101 CO 0.32 -0.51 1.40 -1.12 -0.68 0.00 0.00 175.30 174.71 1yhu s SER 102 N 1.38 6.83 0.00 0.23 0.01 -1.26 -2.79 113.70 118.10 1yhu s SER 102 Ca -0.01 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.50 1yhu s SER 102 Cb -0.18 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1yhu s SER 102 CO -0.00 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.58 1yhu n GLY 103 N 3.57 1.89 3.58 3.44 0.00 -1.26 -4.99 105.19 111.42 1yhu n GLY 103 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1yhu n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yhu s VAL 104 N -1.84 3.85 0.16 1.61 1.01 -1.12 -4.99 120.40 119.09 1yhu s VAL 104 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 61.98 62.80 1yhu s VAL 104 Cb 0.00 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1yhu s VAL 104 CO 0.00 -1.09 0.11 0.42 0.00 0.00 0.00 175.10 174.55 1yhu s THR 105 N 5.77 4.36 0.33 3.92 -4.23 -1.26 -4.42 115.64 120.12 1yhu s THR 105 Ca 0.53 -1.12 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1yhu s THR 105 Cb -0.11 -3.22 0.29 0.00 1.34 0.00 0.00 72.50 70.81 1yhu s THR 105 CO 0.27 -0.10 1.92 0.50 -0.54 0.00 0.00 174.62 176.67 1yhu h LYS 106 N 2.50 0.84 0.00 3.99 3.64 -1.77 0.18 116.57 125.94 1yhu h LYS 106 Ca -0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1yhu h LYS 106 Cb 1.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1yhu h LYS 106 CO 0.62 0.55 0.00 0.78 -2.27 0.00 0.00 179.45 179.14 1yhu h GLY 107 N 0.86 0.00 0.92 5.01 0.00 -0.88 -2.34 103.07 106.64 1yhu h GLY 107 Ca 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.62 1yhu h GLY 107 CO -0.15 0.00 -0.14 -1.33 0.00 0.00 0.00 176.54 174.92 1yhu h GLY 108 N 1.95 0.69 0.91 4.60 0.00 -0.87 -2.43 103.07 107.93 1yhu h GLY 108 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1yhu h GLY 108 CO 0.00 0.56 -0.03 0.74 0.00 0.00 0.00 176.54 177.81 1yhu h PHE 109 N 0.40 -0.08 -1.42 5.60 -1.00 -1.35 -0.80 116.94 118.29 1yhu h PHE 109 Ca 0.07 -0.00 0.45 0.00 2.81 0.00 0.00 57.97 61.29 1yhu h PHE 109 Cb 0.66 0.03 -0.11 0.00 3.61 0.00 0.00 35.95 40.13 1yhu h PHE 109 CO 0.06 0.03 0.95 1.03 -1.61 0.00 0.00 178.31 178.77 1yhu h SER 110 N -0.17 0.19 0.03 2.17 0.87 -1.26 0.90 113.55 116.28 1yhu h SER 110 Ca -0.01 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1yhu h SER 110 Cb 0.14 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1yhu h SER 110 CO 0.01 -0.12 -0.01 0.00 -0.53 0.00 0.00 176.83 176.18 1yhu h ALA 111 N 1.47 -0.04 -1.00 6.23 0.00 -0.74 -3.22 119.26 121.96 1yhu h ALA 111 Ca 0.81 -0.10 0.28 0.00 0.00 0.00 0.00 54.91 55.90 1yhu h ALA 111 Cb 2.73 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 20.48 1yhu h ALA 111 CO -0.30 -0.04 0.70 0.97 0.00 0.00 0.00 179.25 180.58 1yhu h ILE 112 N -1.00 0.52 -0.11 0.00 2.10 0.18 0.44 117.51 119.64 1yhu h ILE 112 Ca -0.00 -0.03 -0.00 0.00 1.08 0.00 0.00 64.86 65.90 1yhu h ILE 112 Cb 0.21 0.41 -0.01 0.00 -1.09 0.00 0.00 36.82 36.34 1yhu h ILE 112 CO 0.01 0.02 0.07 0.00 -1.08 0.00 0.00 178.15 177.16 1yhu h ALA 113 N 1.53 0.14 -0.68 0.18 0.00 -0.98 -0.44 119.26 119.01 1yhu h ALA 113 Ca 0.49 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.42 1yhu h ALA 113 Cb 1.78 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 1yhu h ALA 113 CO -0.07 -0.35 0.41 1.96 0.00 0.00 0.00 179.25 181.20 1yhu h GLN 114 N 0.12 0.76 0.37 0.00 4.20 -0.17 -1.78 115.11 118.61 1yhu h GLN 114 Ca 0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1yhu h GLN 114 Cb 0.02 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1yhu h GLN 114 CO -0.01 0.50 -0.51 0.77 -0.67 0.00 0.00 178.83 178.92 1yhu h SER 115 N 0.78 -1.45 -0.82 1.46 0.02 -0.65 -0.90 113.55 112.00 1yhu h SER 115 Ca 0.29 0.13 0.20 0.00 -0.84 0.00 0.00 61.79 61.57 1yhu h SER 115 Cb 0.08 0.50 -0.14 0.00 0.14 0.00 0.00 62.40 62.98 1yhu h SER 115 CO -0.13 -0.63 0.05 -0.26 -1.14 0.00 0.00 176.83 174.72 1yhu h PHE 116 N -0.92 0.03 -0.22 3.45 -1.00 -0.73 0.91 116.94 118.47 1yhu h PHE 116 Ca -0.04 0.06 0.06 0.00 2.81 0.00 0.00 57.97 60.86 1yhu h PHE 116 Cb 0.83 0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.50 1yhu h PHE 116 CO -0.32 -0.26 0.19 -0.07 -1.61 0.00 0.00 178.31 176.23 1yhu h LEU 117 N 0.11 0.00 0.03 1.54 3.38 -0.33 0.92 115.31 120.96 1yhu h LEU 117 Ca 0.47 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.18 1yhu h LEU 117 Cb 0.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1yhu h LEU 117 CO -0.71 0.00 -1.35 0.03 0.09 0.00 0.00 178.44 176.50 1yhu h ARG 118 N 0.00 0.07 0.00 1.13 3.08 0.18 -3.40 114.38 115.44 1yhu h ARG 118 Ca 0.10 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1yhu h ARG 118 Cb 0.48 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1yhu h ARG 118 CO -0.00 0.87 -0.33 0.28 -1.07 0.00 0.00 179.97 179.72 1yhu h VAL 119 N 0.02 0.60 -0.98 2.04 2.07 0.59 -3.40 116.25 117.18 1yhu h VAL 119 Ca -0.15 -1.53 0.14 0.00 0.82 0.00 0.00 66.70 65.97 1yhu h VAL 119 Cb 1.91 1.22 -0.15 0.00 -1.52 0.00 0.00 31.29 32.75 1yhu h VAL 119 CO 0.12 0.20 -0.43 0.23 0.02 0.00 0.00 177.57 177.72 1yhu n MET 120 N -4.64 -0.28 0.07 1.57 2.81 0.14 0.02 117.12 116.81 1yhu n MET 120 Ca -0.10 1.50 0.21 0.00 -1.81 0.00 0.00 57.70 57.51 1yhu n MET 120 Cb 0.30 -2.23 0.70 0.00 -0.71 0.00 0.00 33.22 31.28 1yhu n MET 120 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1yhu h PRO 121 N 0.00 0.00 0.04 0.03 0.13 -1.78 0.70 132.00 131.11 1yhu h PRO 121 Ca 0.30 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.18 1yhu h PRO 121 Cb 0.54 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.68 1yhu h PRO 121 CO -0.96 0.00 -1.03 1.96 -0.23 0.00 0.00 178.00 177.73 1yhu h GLN 122 N 0.00 0.42 0.00 0.86 4.20 -0.63 -3.38 115.11 116.58 1yhu h GLN 122 Ca 0.22 -0.50 -0.33 0.00 0.06 0.00 0.00 58.65 58.10 1yhu h GLN 122 Cb 1.32 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 29.20 1yhu h GLN 122 CO -0.00 1.16 -2.25 1.55 -0.67 0.00 0.00 178.83 178.62 1yhu n VAL 123 N -3.71 1.26 -2.04 -0.54 3.14 -0.19 -4.98 118.33 111.26 1yhu n VAL 123 Ca -0.08 -0.56 -0.34 0.00 -2.96 0.00 0.00 64.34 60.40 1yhu n VAL 123 Cb 0.89 -1.08 0.02 0.00 -1.06 0.00 0.00 33.84 32.61 1yhu n VAL 123 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yhu s ALA 124 N -2.44 2.62 0.00 1.55 0.00 0.23 -4.95 121.76 118.77 1yhu s ALA 124 Ca -0.24 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1yhu s ALA 124 Cb 0.07 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1yhu s ALA 124 CO 0.57 -0.95 0.00 0.43 0.00 0.00 0.00 175.76 175.81 1yhu n SER 125 N -1.85 0.00 -4.57 0.00 7.64 -1.26 -4.58 113.62 109.00 1yhu n SER 125 Ca 0.10 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.70 1yhu n SER 125 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 1yhu n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yhu s PHE 127 N 10.04 3.67 -0.58 0.00 5.36 -1.26 -4.98 117.98 130.23 1yhu s PHE 127 Ca 0.68 1.76 0.01 0.00 -0.96 0.00 0.00 56.93 58.41 1yhu s PHE 127 Cb -0.03 -3.17 0.15 0.00 -0.34 0.00 0.00 43.02 39.62 1yhu s PHE 127 CO 0.06 -0.25 0.35 1.21 -1.46 0.00 0.00 175.22 175.13 1yhu s ASN 128 N -1.06 4.75 0.18 6.13 3.84 -1.26 -4.99 114.94 122.53 1yhu s ASN 128 Ca 0.45 -2.97 -0.17 0.00 0.21 0.00 0.00 52.86 50.38 1yhu s ASN 128 Cb -0.29 -1.74 0.13 0.00 -0.55 0.00 0.00 41.25 38.80 1yhu s ASN 128 CO 0.37 -0.29 1.64 1.55 -2.79 0.00 0.00 177.10 177.58 1yhu h PRO 129 N 6.71 -0.05 0.42 0.43 0.13 -1.97 -1.63 132.00 136.04 1yhu h PRO 129 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1yhu h PRO 129 Cb 0.92 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1yhu h PRO 129 CO 0.70 -0.03 -0.45 -0.44 -0.23 0.00 0.00 178.00 177.55 1yhu h ASP 130 N -0.05 -1.24 -0.14 1.44 3.45 -1.99 0.25 116.42 118.14 1yhu h ASP 130 Ca 0.22 0.10 0.04 0.00 0.43 0.00 0.00 57.03 57.82 1yhu h ASP 130 Cb 0.39 0.41 -0.05 0.00 -0.56 0.00 0.00 39.33 39.52 1yhu h ASP 130 CO -0.49 -0.58 -0.14 0.00 -1.57 0.00 0.00 179.24 176.46 1yhu h ALA 131 N -0.99 -0.05 -0.41 3.45 0.00 -1.95 -0.76 119.26 118.55 1yhu h ALA 131 Ca -0.05 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1yhu h ALA 131 Cb 0.76 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1yhu h ALA 131 CO -0.07 -0.59 -0.16 2.35 0.00 0.00 0.00 179.25 180.78 1yhu h TRP 132 N -0.17 -0.37 0.35 0.00 2.91 -1.12 -2.30 115.95 115.24 1yhu h TRP 132 Ca 0.10 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 1yhu h TRP 132 Cb 0.31 0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 29.16 1yhu h TRP 132 CO -0.27 -0.24 -0.44 1.03 -1.03 0.00 0.00 178.44 177.49 1yhu h SER 133 N -0.07 -1.25 -0.90 2.65 0.87 0.42 0.36 113.55 115.63 1yhu h SER 133 Ca 0.20 0.11 0.12 0.00 -1.23 0.00 0.00 61.79 61.00 1yhu h SER 133 Cb 0.38 0.43 -0.14 0.00 -0.44 0.00 0.00 62.40 62.63 1yhu h SER 133 CO -0.46 -0.57 -0.44 0.03 -0.53 0.00 0.00 176.83 174.85 1yhu h ARG 134 N -0.83 -0.05 -0.01 2.24 3.08 -0.69 0.22 114.38 118.33 1yhu h ARG 134 Ca -0.03 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1yhu h ARG 134 Cb 0.77 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1yhu h ARG 134 CO -0.12 -0.03 -0.66 0.00 -1.07 0.00 0.00 179.97 178.09 1yhu h PHE 136 N 0.04 0.44 0.00 0.00 3.57 0.21 -1.82 116.94 119.38 1yhu h PHE 136 Ca -0.01 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1yhu h PHE 136 Cb 1.17 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1yhu h PHE 136 CO 0.01 0.41 -0.11 -0.91 -2.23 0.00 0.00 178.31 175.47 1yhu h ASN 137 N 0.34 0.00 -0.46 0.41 2.35 -0.60 0.70 115.58 118.32 1yhu h ASN 137 Ca 0.10 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1yhu h ASN 137 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1yhu h ASN 137 CO -0.01 0.11 0.05 -0.09 -1.65 0.00 0.00 177.43 175.84 1yhu h ARG 138 N 0.00 0.79 -0.49 0.81 9.65 -0.91 0.13 114.38 124.35 1yhu h ARG 138 Ca -0.00 -0.22 -0.13 0.00 -1.10 0.00 0.00 59.98 58.52 1yhu h ARG 138 Cb 0.22 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1yhu h ARG 138 CO 0.01 0.81 -0.21 0.82 2.80 0.00 0.00 179.97 184.21 1yhu h ILE 139 N 0.65 1.27 0.80 1.20 2.04 -0.60 -3.10 117.51 119.76 1yhu h ILE 139 Ca 0.14 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 1yhu h ILE 139 Cb 0.42 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1yhu h ILE 139 CO 0.01 0.48 -0.48 0.74 0.00 0.00 0.00 178.15 178.90 1yhu h THR 140 N 0.86 0.00 -0.83 -0.27 2.02 -0.61 -2.08 112.91 112.00 1yhu h THR 140 Ca 0.11 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.47 1yhu h THR 140 Cb 0.79 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.04 1yhu h THR 140 CO 0.07 0.00 -0.18 0.41 0.37 0.00 0.00 175.52 176.18 1yhu n THR 141 N -5.50 -0.35 -0.04 3.16 -1.04 0.42 -0.13 114.28 110.81 1yhu n THR 141 Ca -0.15 1.90 -0.12 0.00 -2.04 0.00 0.00 64.05 63.64 1yhu n THR 141 Cb 0.49 -2.64 -0.08 0.00 -1.82 0.00 0.00 70.33 66.28 1yhu n THR 141 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1yhu h GLY 142 N 0.00 0.21 1.44 3.41 0.00 -1.45 -3.09 103.07 103.59 1yhu h GLY 142 Ca 0.41 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.61 1yhu h GLY 142 CO -0.85 0.17 0.25 -0.33 0.00 0.00 0.00 176.54 175.78 1yhu h MET 143 N -0.15 0.26 -2.65 4.80 2.86 0.19 -3.23 114.93 117.01 1yhu h MET 143 Ca 0.02 -0.02 -0.72 0.00 -2.06 0.00 0.00 59.70 56.93 1yhu h MET 143 Cb 0.46 -0.06 -0.34 0.00 0.06 0.00 0.00 31.60 31.73 1yhu h MET 143 CO 0.01 0.17 0.19 -2.37 1.06 0.00 0.00 176.91 175.97 1yhu n THR 144 N -4.48 4.04 -0.05 2.22 5.66 0.12 -3.67 114.28 118.13 1yhu n THR 144 Ca 0.04 -5.61 -0.01 0.00 -3.05 0.00 0.00 64.05 55.42 1yhu n THR 144 Cb 0.25 -2.11 -0.00 0.00 -1.55 0.00 0.00 70.33 66.92 1yhu n THR 144 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1yhu h GLU 145 N 4.97 0.00 0.00 1.09 4.39 -1.67 -3.41 114.58 119.95 1yhu h GLU 145 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1yhu h GLU 145 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1yhu h GLU 145 CO 1.11 0.00 -0.88 -0.35 -1.16 0.00 0.00 179.01 177.73 1yhu n PRO 146 N -4.45 0.04 -1.50 2.33 -0.04 -1.26 -4.99 135.00 125.13 1yhu n PRO 146 Ca -0.02 -0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 1yhu n PRO 146 Cb 0.07 -1.51 0.01 0.00 -0.04 0.00 0.00 33.50 32.03 1yhu n PRO 146 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yhu n LEU 147 N -1.56 0.73 0.00 1.53 4.77 -1.26 -4.96 117.00 116.25 1yhu n LEU 147 Ca 0.04 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 1yhu n LEU 147 Cb 0.35 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 1yhu n LEU 147 CO 0.41 -2.45 0.00 -2.65 -1.33 0.00 0.00 177.39 171.37 1yhu n PRO 148 N 0.48 0.00 0.00 3.23 -0.02 -1.26 -4.55 135.00 132.88 1yhu n PRO 148 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1yhu n PRO 148 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 1yhu n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48