#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iuk s ASN 2 N 0.00 4.81 0.21 6.12 6.03 -1.26 -4.71 114.94 126.15 1iuk s ASN 2 Ca 0.00 1.80 -0.09 0.00 -1.03 0.00 0.00 52.86 53.54 1iuk s ASN 2 Cb 0.00 -2.52 0.29 0.00 -3.03 0.00 0.00 41.25 35.99 1iuk s ASN 2 CO 0.00 -1.83 1.75 0.44 -2.03 0.00 0.00 177.10 175.43 1iuk h ASP 3 N -0.84 0.25 -0.18 3.54 3.45 -2.04 0.19 116.42 120.80 1iuk h ASP 3 Ca -0.44 0.08 0.04 0.00 0.43 0.00 0.00 57.03 57.14 1iuk h ASP 3 Cb 1.23 0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 40.00 1iuk h ASP 3 CO 0.53 0.15 -0.10 -0.61 -1.57 0.00 0.00 179.24 177.64 1iuk h GLN 4 N 0.43 -0.09 -0.23 3.56 4.15 -1.99 0.38 115.11 121.33 1iuk h GLN 4 Ca 0.32 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.67 1iuk h GLN 4 Cb 0.39 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1iuk h GLN 4 CO -0.31 -0.06 -0.14 1.49 -1.93 0.00 0.00 178.83 177.89 1iuk h GLU 5 N -0.09 0.50 -0.44 1.69 4.81 -1.84 -2.16 114.58 117.05 1iuk h GLU 5 Ca 0.10 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1iuk h GLU 5 Cb 0.24 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1iuk h GLU 5 CO -0.24 0.79 0.19 1.25 -0.73 0.00 0.00 179.01 180.27 1iuk h LEU 6 N 0.21 0.56 -0.11 1.64 5.85 -0.37 0.39 115.31 123.48 1iuk h LEU 6 Ca 0.05 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1iuk h LEU 6 Cb 0.65 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1iuk h LEU 6 CO 0.04 0.51 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.55 1iuk h ARG 7 N 0.63 0.20 -0.89 1.25 2.43 -0.15 -0.47 114.38 117.38 1iuk h ARG 7 Ca 0.15 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1iuk h ARG 7 Cb 0.11 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 1iuk h ARG 7 CO -0.02 0.46 0.58 0.00 -1.51 0.00 0.00 179.97 179.49 1iuk h ALA 8 N 0.73 1.50 0.02 2.80 0.00 -0.86 -0.11 119.26 123.35 1iuk h ALA 8 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iuk h ALA 8 Cb 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iuk h ALA 8 CO 0.01 0.37 -0.01 -0.92 0.00 0.00 0.00 179.25 178.70 1iuk h TYR 9 N 1.03 -0.03 -0.44 0.00 5.03 -0.69 -2.72 116.97 119.15 1iuk h TYR 9 Ca 0.38 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.59 1iuk h TYR 9 Cb 0.16 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 1iuk h TYR 9 CO -0.00 0.31 -0.13 -0.07 -1.32 0.00 0.00 178.16 176.95 1iuk h LEU 10 N -0.37 0.81 -1.06 2.82 3.38 -0.71 -2.23 115.31 117.95 1iuk h LEU 10 Ca -0.00 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 1iuk h LEU 10 Cb 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1iuk h LEU 10 CO 0.01 0.95 -0.47 0.77 0.09 0.00 0.00 178.44 179.79 1iuk h SER 11 N 0.73 0.00 0.96 -0.43 4.64 -1.07 -3.06 113.55 115.33 1iuk h SER 11 Ca 0.12 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.25 1iuk h SER 11 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 1iuk h SER 11 CO 0.04 0.47 -1.10 -0.61 -0.87 0.00 0.00 176.83 174.76 1iuk h GLN 12 N 0.00 0.00 -7.09 4.77 -0.00 -1.39 -3.47 115.11 107.93 1iuk h GLN 12 Ca -0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 58.65 58.09 1iuk h GLN 12 Cb 0.84 0.00 0.15 0.00 0.00 0.00 0.00 27.48 28.46 1iuk h GLN 12 CO 0.06 0.63 0.54 0.00 0.00 0.00 0.00 178.83 180.07 1iuk s ALA 13 N -2.79 2.54 0.07 3.38 0.00 -0.85 -4.98 121.76 119.12 1iuk s ALA 13 Ca -0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1iuk s ALA 13 Cb 0.09 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1iuk s ALA 13 CO 0.80 -1.48 0.00 1.17 0.00 0.00 0.00 175.76 176.25 1iuk n LYS 14 N -1.59 0.00 -3.34 0.00 4.81 -1.26 -4.94 118.16 111.84 1iuk n LYS 14 Ca 0.14 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.19 1iuk n LYS 14 Cb 0.47 -0.45 -0.07 0.00 0.02 0.00 0.00 35.03 35.00 1iuk n LYS 14 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1iuk s THR 15 N -2.00 5.17 -0.21 3.15 -4.23 -1.26 -0.09 115.64 116.16 1iuk s THR 15 Ca 0.00 0.80 0.01 0.00 -1.18 0.00 0.00 61.69 61.32 1iuk s THR 15 Cb 0.00 -3.77 0.04 0.00 1.34 0.00 0.00 72.50 70.12 1iuk s THR 15 CO 0.00 0.23 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.57 1iuk s ILE 16 N 1.37 1.84 -0.05 2.99 1.01 0.57 -1.54 121.20 127.39 1iuk s ILE 16 Ca 0.21 -1.18 -0.20 0.00 0.00 0.00 0.00 60.65 59.49 1iuk s ILE 16 Cb -0.15 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 1iuk s ILE 16 CO 0.09 0.16 0.55 0.00 0.00 0.00 0.00 174.94 175.74 1iuk s ALA 17 N 1.30 3.48 -0.38 9.38 0.00 0.00 -0.74 121.76 134.80 1iuk s ALA 17 Ca -0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 1iuk s ALA 17 Cb -0.17 -2.71 0.05 0.00 0.00 0.00 0.00 23.12 20.29 1iuk s ALA 17 CO -0.08 0.10 0.20 0.08 0.00 0.00 0.00 175.76 176.07 1iuk s VAL 18 N 0.14 4.26 -0.38 0.00 1.01 -0.29 -0.30 120.40 124.84 1iuk s VAL 18 Ca 0.30 -1.13 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 1iuk s VAL 18 Cb -0.17 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1iuk s VAL 18 CO 0.15 -0.33 0.87 -0.22 0.00 0.00 0.00 175.10 175.57 1iuk s LEU 19 N 1.47 4.05 0.00 3.92 2.96 0.14 -1.27 118.68 129.96 1iuk s LEU 19 Ca 0.01 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 1iuk s LEU 19 Cb -0.21 -3.16 0.00 0.00 0.50 0.00 0.00 46.19 43.32 1iuk s LEU 19 CO 0.04 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 174.85 1iuk n GLY 20 N 4.51 1.05 3.60 7.98 0.00 0.25 -0.73 105.19 121.86 1iuk n GLY 20 Ca 0.05 -0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 1iuk n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iuk n ALA 21 N -1.93 -0.19 -2.40 4.61 0.00 -1.15 -4.86 120.51 114.58 1iuk n ALA 21 Ca 0.00 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.59 1iuk n ALA 21 Cb 0.00 -2.09 -0.13 0.00 0.00 0.00 0.00 19.45 17.24 1iuk n ALA 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1iuk s HIS 22 N -0.36 2.33 0.01 0.00 2.46 -0.83 -4.72 115.29 114.18 1iuk s HIS 22 Ca 0.69 -0.37 0.03 0.00 0.47 0.00 0.00 55.06 55.88 1iuk s HIS 22 Cb -0.77 -1.24 -0.25 0.00 -0.13 0.00 0.00 32.58 30.19 1iuk s HIS 22 CO 0.53 0.37 0.88 -0.22 -2.47 0.00 0.00 174.74 173.84 1iuk h LYS 23 N 3.75 0.13 -6.32 2.88 3.11 -1.94 -3.38 116.57 114.79 1iuk h LYS 23 Ca -0.50 -0.23 -0.54 0.00 -2.81 0.00 0.00 60.65 56.57 1iuk h LYS 23 Cb 1.18 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 1iuk h LYS 23 CO 0.41 0.94 1.11 0.34 -2.81 0.00 0.00 179.45 179.44 1iuk s ASP 24 N -6.71 6.60 0.50 4.20 3.68 -1.26 -4.89 116.67 118.79 1iuk s ASP 24 Ca -0.06 2.40 0.21 0.00 2.13 0.00 0.00 52.55 57.23 1iuk s ASP 24 Cb 0.08 -2.54 1.27 0.00 -1.45 0.00 0.00 42.92 40.28 1iuk s ASP 24 CO 0.84 -0.95 2.00 -0.65 0.13 0.00 0.00 175.17 176.54 1iuk h PRO 25 N 9.57 0.13 0.00 4.34 0.11 -1.97 -2.43 132.00 141.75 1iuk h PRO 25 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1iuk h PRO 25 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1iuk h PRO 25 CO 0.95 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.69 1iuk n SER 26 N -4.43 0.79 -4.75 -2.05 3.41 -1.26 -4.18 113.62 101.15 1iuk n SER 26 Ca 0.09 0.62 -0.40 0.00 -0.26 0.00 0.00 58.87 58.92 1iuk n SER 26 Cb 0.49 -0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 63.58 1iuk n SER 26 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1iuk s ARG 27 N -3.20 4.64 0.45 4.33 1.81 -0.91 -4.92 118.95 121.14 1iuk s ARG 27 Ca 0.08 1.28 0.19 0.00 -1.72 0.00 0.00 55.73 55.56 1iuk s ARG 27 Cb 0.11 -3.33 1.15 0.00 -0.45 0.00 0.00 34.95 32.43 1iuk s ARG 27 CO 0.51 0.36 1.89 -1.35 -0.68 0.00 0.00 175.30 176.03 1iuk h PRO 28 N 5.11 0.31 0.00 3.54 0.11 -1.89 0.80 132.00 139.99 1iuk h PRO 28 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1iuk h PRO 28 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1iuk h PRO 28 CO 0.70 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 1iuk n ALA 29 N -2.55 1.93 -0.01 -0.75 0.00 -1.26 -1.04 120.51 116.83 1iuk n ALA 29 Ca 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 1iuk n ALA 29 Cb 0.68 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 1iuk n ALA 29 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1iuk n HIS 30 N -1.09 0.00 0.18 0.00 -0.00 0.26 -1.97 115.22 112.60 1iuk n HIS 30 Ca 0.09 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.85 1iuk n HIS 30 Cb 0.07 -0.07 0.27 0.00 -0.00 0.00 0.00 29.99 30.26 1iuk n HIS 30 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1iuk h TYR 31 N -0.07 0.00 -0.05 1.57 -0.00 -1.06 -2.21 116.97 115.14 1iuk h TYR 31 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.65 1iuk h TYR 31 Cb 1.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.73 1iuk h TYR 31 CO -0.01 0.42 -0.07 0.28 -0.00 0.00 0.00 178.16 178.79 1iuk h VAL 32 N 0.00 1.39 -0.36 -0.90 2.07 -1.33 -1.99 116.25 115.14 1iuk h VAL 32 Ca -0.00 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1iuk h VAL 32 Cb 0.99 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 1iuk h VAL 32 CO 0.06 0.35 0.24 -0.65 0.02 0.00 0.00 177.57 177.58 1iuk h PRO 33 N -0.32 0.37 -0.16 1.57 0.11 -1.71 -1.47 132.00 130.38 1iuk h PRO 33 Ca 0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1iuk h PRO 33 Cb 0.59 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1iuk h PRO 33 CO 0.02 0.25 0.08 -0.09 -0.21 0.00 0.00 178.00 178.04 1iuk h ARG 34 N 0.38 0.23 -0.51 1.05 2.43 -1.20 -1.41 114.38 115.35 1iuk h ARG 34 Ca 0.14 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1iuk h ARG 34 Cb 0.10 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1iuk h ARG 34 CO -0.03 0.25 0.32 -0.92 -1.51 0.00 0.00 179.97 178.07 1iuk h TYR 35 N 0.15 0.59 -0.75 2.20 5.03 -0.62 -2.78 116.97 120.79 1iuk h TYR 35 Ca 0.06 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.40 1iuk h TYR 35 Cb 0.09 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.14 1iuk h TYR 35 CO -0.03 0.35 0.49 -0.07 -1.32 0.00 0.00 178.16 177.58 1iuk h LEU 36 N 0.64 0.84 -1.32 2.82 4.07 -1.03 -1.67 115.31 119.65 1iuk h LEU 36 Ca 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 1iuk h LEU 36 Cb -0.01 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.50 1iuk h LEU 36 CO -0.07 0.60 0.25 -0.09 -1.08 0.00 0.00 178.44 178.04 1iuk h ARG 37 N 0.99 0.71 -0.54 1.13 2.43 -1.06 -1.62 114.38 116.44 1iuk h ARG 37 Ca 0.29 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1iuk h ARG 37 Cb -0.07 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1iuk h ARG 37 CO -0.08 0.55 0.04 0.93 -1.51 0.00 0.00 179.97 179.91 1iuk h GLU 38 N 0.72 0.88 -0.33 0.20 5.08 -1.06 -2.42 114.58 117.64 1iuk h GLU 38 Ca 0.18 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1iuk h GLU 38 Cb 0.07 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1iuk h GLU 38 CO -0.02 0.85 0.00 1.04 -1.00 0.00 0.00 179.01 179.88 1iuk n GLN 39 N -4.22 0.79 -0.67 2.33 1.13 -0.63 -4.83 117.38 111.28 1iuk n GLN 39 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1iuk n GLN 39 Cb 0.29 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.48 1iuk n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1iuk n GLY 40 N 0.21 0.63 3.92 1.08 0.00 -0.91 -5.07 105.19 105.06 1iuk n GLY 40 Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1iuk n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iuk s TYR 41 N -2.00 3.49 -0.40 1.61 1.51 -1.09 -4.97 117.35 115.50 1iuk s TYR 41 Ca 0.00 0.48 -0.16 0.00 -1.01 0.00 0.00 57.07 56.39 1iuk s TYR 41 Cb 0.00 -1.98 0.01 0.00 -0.11 0.00 0.00 41.96 39.88 1iuk s TYR 41 CO 0.00 0.20 0.35 0.50 -1.11 0.00 0.00 175.55 175.49 1iuk s ARG 42 N -3.76 3.13 -0.20 -0.62 3.52 0.87 -4.41 118.95 117.47 1iuk s ARG 42 Ca 0.41 -0.83 -0.12 0.00 -0.13 0.00 0.00 55.73 55.06 1iuk s ARG 42 Cb -0.10 -3.94 -0.05 0.00 -1.56 0.00 0.00 34.95 29.30 1iuk s ARG 42 CO 0.32 -0.73 0.24 0.14 -0.81 0.00 0.00 175.30 174.45 1iuk s VAL 43 N 1.88 5.32 -0.35 7.11 -7.23 -1.26 -0.31 120.40 125.56 1iuk s VAL 43 Ca 0.08 0.39 -0.04 0.00 -1.81 0.00 0.00 61.98 60.61 1iuk s VAL 43 Cb -0.18 -3.58 0.07 0.00 0.56 0.00 0.00 36.38 33.25 1iuk s VAL 43 CO 0.11 0.36 0.11 -0.76 -0.31 0.00 0.00 175.10 174.61 1iuk s LEU 44 N 0.80 4.51 0.09 1.32 1.43 0.08 -4.76 118.68 122.16 1iuk s LEU 44 Ca 0.12 -1.48 -0.31 0.00 -1.03 0.00 0.00 54.13 51.43 1iuk s LEU 44 Cb -0.13 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.22 1iuk s LEU 44 CO 0.04 -0.38 1.23 -2.16 0.23 0.00 0.00 176.35 175.31 1iuk s PRO 45 N 1.27 4.42 -0.14 1.29 0.04 -1.26 -1.14 135.00 139.48 1iuk s PRO 45 Ca 0.00 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 1iuk s PRO 45 Cb -0.21 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.06 1iuk s PRO 45 CO -0.01 -0.26 -0.06 0.08 0.04 0.00 0.00 177.00 176.79 1iuk s VAL 46 N 0.87 1.04 -0.30 -0.36 1.01 -0.40 -2.11 120.40 120.15 1iuk s VAL 46 Ca 0.59 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 1iuk s VAL 46 Cb -0.31 -1.16 0.18 0.00 0.00 0.00 0.00 36.38 35.08 1iuk s VAL 46 CO 0.31 0.22 1.06 0.21 0.00 0.00 0.00 175.10 176.90 1iuk s ASN 47 N 1.68 -0.46 0.53 3.32 3.84 -0.07 -0.59 114.94 123.20 1iuk s ASN 47 Ca 0.03 0.45 0.20 0.00 0.21 0.00 0.00 52.86 53.74 1iuk s ASN 47 Cb -0.14 1.45 1.38 0.00 -0.55 0.00 0.00 41.25 43.39 1iuk s ASN 47 CO -0.08 -0.09 2.15 1.55 -2.79 0.00 0.00 177.10 177.85 1iuk h PRO 48 N 7.67 0.00 0.00 0.43 0.13 -1.72 -1.09 132.00 137.42 1iuk h PRO 48 Ca -0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1iuk h PRO 48 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1iuk h PRO 48 CO -0.00 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 177.76 1iuk h ARG 49 N 0.00 0.00 0.00 0.86 2.47 -1.93 -2.55 114.38 113.23 1iuk h ARG 49 Ca 0.03 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.70 1iuk h ARG 49 Cb 0.11 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.33 1iuk h ARG 49 CO -0.00 0.01 -0.53 1.19 0.56 0.00 0.00 179.97 181.19 1iuk n PHE 50 N -3.27 0.00 -1.64 3.04 3.01 -0.46 -5.08 117.46 113.06 1iuk n PHE 50 Ca -0.03 -0.78 -0.51 0.00 1.01 0.00 0.00 57.45 57.14 1iuk n PHE 50 Cb 0.10 -0.16 -0.06 0.00 -0.01 0.00 0.00 39.48 39.36 1iuk n PHE 50 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1iuk n GLN 51 N -0.50 1.53 0.00 -1.08 0.00 -0.91 -1.08 117.38 115.35 1iuk n GLN 51 Ca 0.11 0.56 0.00 0.00 -0.00 0.00 0.00 57.00 57.66 1iuk n GLN 51 Cb 0.81 -2.26 0.00 0.00 0.00 0.00 0.00 30.24 28.79 1iuk n GLN 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1iuk n GLY 52 N 3.22 3.20 3.75 1.69 0.00 0.06 -4.96 105.19 112.16 1iuk n GLY 52 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1iuk n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iuk s GLU 53 N -0.48 4.77 -0.23 1.61 2.02 -0.24 -4.60 118.70 121.55 1iuk s GLU 53 Ca 0.00 1.62 -0.29 0.00 0.02 0.00 0.00 54.97 56.32 1iuk s GLU 53 Cb 0.00 -3.24 -0.00 0.00 0.10 0.00 0.00 34.13 30.99 1iuk s GLU 53 CO 0.00 0.39 1.24 -2.00 0.02 0.00 0.00 175.26 174.91 1iuk s GLU 54 N -1.30 4.11 -0.06 1.61 2.12 -1.26 -1.01 118.70 122.90 1iuk s GLU 54 Ca 0.42 1.44 0.03 0.00 0.36 0.00 0.00 54.97 57.22 1iuk s GLU 54 Cb -0.28 -3.79 0.01 0.00 0.26 0.00 0.00 34.13 30.32 1iuk s GLU 54 CO 0.36 -0.86 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.56 1iuk s LEU 55 N 3.80 1.72 -1.50 2.70 1.43 0.29 -4.75 118.68 122.37 1iuk s LEU 55 Ca 0.53 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1iuk s LEU 55 Cb -0.18 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.16 1iuk s LEU 55 CO 0.17 0.06 0.55 0.49 0.23 0.00 0.00 176.35 177.85 1iuk n PHE 56 N 3.69 -1.89 -0.88 0.29 3.72 -1.26 -1.18 117.46 119.95 1iuk n PHE 56 Ca -0.22 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1iuk n PHE 56 Cb 0.52 -4.14 0.00 0.00 -0.94 0.00 0.00 39.48 34.92 1iuk n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iuk n GLY 57 N -1.42 1.19 3.30 1.37 0.00 -1.26 -4.84 105.19 103.53 1iuk n GLY 57 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1iuk n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iuk s GLU 58 N -0.02 1.18 -0.03 1.61 0.41 -0.32 -5.10 118.70 116.44 1iuk s GLU 58 Ca 0.00 -1.28 -0.30 0.00 -0.41 0.00 0.00 54.97 52.98 1iuk s GLU 58 Cb 0.00 -1.32 -0.03 0.00 -1.78 0.00 0.00 34.13 31.00 1iuk s GLU 58 CO 0.00 0.29 1.03 -2.00 -0.49 0.00 0.00 175.26 174.09 1iuk s GLU 59 N -2.37 4.49 0.37 1.61 2.12 -1.26 0.11 118.70 123.76 1iuk s GLU 59 Ca 0.11 1.48 -0.26 0.00 0.36 0.00 0.00 54.97 56.65 1iuk s GLU 59 Cb -0.08 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.74 1iuk s GLU 59 CO 0.05 -0.19 1.18 0.00 -0.54 0.00 0.00 175.26 175.76 1iuk s ALA 60 N 1.42 3.25 0.25 6.30 0.00 -0.18 -4.73 121.76 128.07 1iuk s ALA 60 Ca 0.52 1.00 0.10 0.00 0.00 0.00 0.00 51.96 53.58 1iuk s ALA 60 Cb -0.22 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1iuk s ALA 60 CO 0.25 -0.48 -0.07 0.14 0.00 0.00 0.00 175.76 175.60 1iuk s VAL 61 N -1.33 3.20 0.12 0.00 -7.23 -0.90 -0.76 120.40 113.50 1iuk s VAL 61 Ca 0.54 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1iuk s VAL 61 Cb -0.32 -2.67 -0.21 0.00 0.56 0.00 0.00 36.38 33.74 1iuk s VAL 61 CO 0.41 -0.31 1.27 0.00 -0.31 0.00 0.00 175.10 176.16 1iuk h ALA 62 N 2.23 0.33 -3.38 1.32 0.00 -1.90 -0.16 119.26 117.70 1iuk h ALA 62 Ca -0.44 -0.83 -0.42 0.00 0.00 0.00 0.00 54.91 53.22 1iuk h ALA 62 Cb 1.24 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 1iuk h ALA 62 CO 0.59 1.04 -0.78 0.45 0.00 0.00 0.00 179.25 180.54 1iuk s SER 63 N -6.93 1.73 0.43 0.00 0.15 -1.26 -3.70 113.70 104.12 1iuk s SER 63 Ca -0.02 -0.64 0.12 0.00 0.70 0.00 0.00 55.95 56.12 1iuk s SER 63 Cb 0.09 -0.05 0.99 0.00 -1.71 0.00 0.00 66.02 65.34 1iuk s SER 63 CO 0.84 -0.08 2.00 -0.07 1.20 0.00 0.00 173.24 177.13 1iuk h LEU 64 N 4.21 0.39 0.00 3.45 3.38 -1.90 0.10 115.31 124.95 1iuk h LEU 64 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1iuk h LEU 64 Cb 1.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1iuk h LEU 64 CO 0.41 0.25 0.00 0.18 0.09 0.00 0.00 178.44 179.37 1iuk n LEU 65 N -4.47 0.00 0.09 1.67 7.99 -1.26 -1.92 117.00 119.10 1iuk n LEU 65 Ca 0.08 0.44 0.13 0.00 -0.01 0.00 0.00 56.01 56.65 1iuk n LEU 65 Cb 0.31 -0.44 0.30 0.00 -0.11 0.00 0.00 43.42 43.47 1iuk n LEU 65 CO 0.34 -0.20 0.66 0.44 -1.51 0.00 0.00 177.39 177.12 1iuk h ASP 66 N 0.00 0.00 -3.91 -1.43 3.45 -1.20 -3.46 116.42 109.88 1iuk h ASP 66 Ca 0.00 -0.08 -0.53 0.00 0.43 0.00 0.00 57.03 56.85 1iuk h ASP 66 Cb 0.24 0.00 0.08 0.00 -0.56 0.00 0.00 39.33 39.09 1iuk h ASP 66 CO 0.00 0.04 0.70 -0.76 -1.57 0.00 0.00 179.24 177.66 1iuk s LEU 67 N -4.51 4.38 -0.24 1.55 1.43 -0.81 -4.92 118.68 115.56 1iuk s LEU 67 Ca 0.09 2.86 0.14 0.00 -1.03 0.00 0.00 54.13 56.18 1iuk s LEU 67 Cb 0.12 -3.66 0.71 0.00 0.03 0.00 0.00 46.19 43.40 1iuk s LEU 67 CO 0.65 -0.69 1.66 0.29 0.23 0.00 0.00 176.35 178.49 1iuk n LYS 68 N 0.65 3.98 -3.52 1.70 4.76 -1.26 -4.97 118.16 119.50 1iuk n LYS 68 Ca 0.00 -3.06 -0.13 0.00 -2.87 0.00 0.00 58.31 52.25 1iuk n LYS 68 Cb 0.41 -2.12 -0.04 0.00 -1.84 0.00 0.00 35.03 31.43 1iuk n LYS 68 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1iuk s GLU 69 N -2.86 1.13 0.55 1.97 -1.05 -1.26 -5.15 118.70 112.03 1iuk s GLU 69 Ca 0.51 -0.31 -0.21 0.00 -0.15 0.00 0.00 54.97 54.81 1iuk s GLU 69 Cb 0.40 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.56 1iuk s GLU 69 CO 0.13 -0.44 1.27 -2.30 0.95 0.00 0.00 175.26 174.87 1iuk n PRO 70 N 0.11 1.51 -4.05 -4.83 -0.02 -1.26 -5.00 135.00 121.45 1iuk n PRO 70 Ca -0.18 0.56 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 1iuk n PRO 70 Cb 0.62 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 1iuk n PRO 70 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iuk s VAL 71 N -1.33 3.18 0.05 -1.45 1.01 -1.26 -4.79 120.40 115.81 1iuk s VAL 71 Ca 0.72 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1iuk s VAL 71 Cb -0.42 -2.42 -0.33 0.00 0.00 0.00 0.00 36.38 33.21 1iuk s VAL 71 CO 0.49 0.45 1.05 0.44 0.00 0.00 0.00 175.10 177.53 1iuk h ASP 72 N 7.88 0.79 -3.52 3.32 3.45 -1.65 -0.85 116.42 125.84 1iuk h ASP 72 Ca -0.40 -0.81 -0.36 0.00 0.43 0.00 0.00 57.03 55.89 1iuk h ASP 72 Cb 1.16 -0.26 -0.33 0.00 -0.56 0.00 0.00 39.33 39.35 1iuk h ASP 72 CO 0.60 1.63 -0.76 -0.63 -1.57 0.00 0.00 179.24 178.52 1iuk s ILE 73 N -2.71 0.31 -0.42 0.35 1.01 -0.77 -1.85 121.20 117.11 1iuk s ILE 73 Ca -0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 1iuk s ILE 73 Cb 0.05 -0.37 0.08 0.00 0.01 0.00 0.00 42.46 42.23 1iuk s ILE 73 CO 0.93 0.17 0.27 -0.22 0.00 0.00 0.00 174.94 176.09 1iuk s LEU 74 N 0.88 5.18 -0.46 2.97 2.96 0.26 -0.82 118.68 129.65 1iuk s LEU 74 Ca -0.10 -1.51 -0.23 0.00 -0.22 0.00 0.00 54.13 52.08 1iuk s LEU 74 Cb -0.13 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.59 1iuk s LEU 74 CO -0.01 -0.54 0.77 -0.62 -1.32 0.00 0.00 176.35 174.63 1iuk s ASP 75 N 2.14 6.39 -0.27 3.68 2.15 0.59 -0.42 116.67 130.93 1iuk s ASP 75 Ca 0.03 -0.17 -0.13 0.00 0.43 0.00 0.00 52.55 52.71 1iuk s ASP 75 Cb -0.23 -2.38 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 1iuk s ASP 75 CO 0.02 -0.92 0.28 -0.69 -0.17 0.00 0.00 175.17 173.69 1iuk s VAL 76 N 3.26 5.25 -1.19 1.11 1.01 0.72 -0.68 120.40 129.87 1iuk s VAL 76 Ca 0.29 0.36 0.12 0.00 0.00 0.00 0.00 61.98 62.75 1iuk s VAL 76 Cb -0.12 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1iuk s VAL 76 CO 0.22 0.21 0.74 0.49 0.00 0.00 0.00 175.10 176.76 1iuk n PHE 77 N 5.16 0.00 -2.38 5.22 3.72 0.09 -1.15 117.46 128.12 1iuk n PHE 77 Ca -0.11 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.89 1iuk n PHE 77 Cb 0.51 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.02 1iuk n PHE 77 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1iuk s ARG 78 N -1.46 4.53 0.81 -1.08 1.81 -1.21 -4.96 118.95 117.39 1iuk s ARG 78 Ca 0.11 1.90 -0.12 0.00 -1.72 0.00 0.00 55.73 55.89 1iuk s ARG 78 Cb 0.10 -3.12 0.08 0.00 -0.45 0.00 0.00 34.95 31.56 1iuk s ARG 78 CO 0.28 0.08 1.16 -1.25 -0.68 0.00 0.00 175.30 174.89 1iuk s PRO 79 N -1.60 1.75 0.36 3.54 0.04 -1.26 -4.83 135.00 133.00 1iuk s PRO 79 Ca 0.46 1.55 0.10 0.00 0.04 0.00 0.00 61.00 63.15 1iuk s PRO 79 Cb -0.33 -1.81 0.84 0.00 0.04 0.00 0.00 34.50 33.24 1iuk s PRO 79 CO 0.43 -2.09 1.87 -1.35 0.04 0.00 0.00 177.00 175.90 1iuk h PRO 80 N -1.05 0.65 0.00 0.56 0.11 -1.88 -0.99 132.00 129.39 1iuk h PRO 80 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1iuk h PRO 80 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1iuk h PRO 80 CO 0.47 0.43 0.00 -1.13 -0.21 0.00 0.00 178.00 177.56 1iuk n SER 81 N -4.56 0.00 -0.00 -2.05 3.41 -1.26 -2.60 113.62 106.56 1iuk n SER 81 Ca 0.18 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1iuk n SER 81 Cb 0.49 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1iuk n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iuk n ALA 82 N -0.97 2.12 -0.12 7.33 0.00 -0.39 -4.80 120.51 123.67 1iuk n ALA 82 Ca 0.13 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1iuk n ALA 82 Cb 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 1iuk n ALA 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1iuk h LEU 83 N 0.01 0.63 -1.46 0.00 3.38 -1.39 -3.17 115.31 113.32 1iuk h LEU 83 Ca 0.00 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.72 1iuk h LEU 83 Cb 0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1iuk h LEU 83 CO 0.00 0.78 0.43 0.24 0.09 0.00 0.00 178.44 179.98 1iuk h MET 84 N 0.45 0.66 0.00 1.13 2.86 -1.87 0.59 114.93 118.75 1iuk h MET 84 Ca 0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1iuk h MET 84 Cb 0.46 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1iuk h MET 84 CO 0.02 0.43 0.00 -0.25 1.06 0.00 0.00 176.91 178.17 1iuk n ASP 85 N -4.47 0.18 0.00 1.22 8.00 -1.20 -2.28 116.55 118.00 1iuk n ASP 85 Ca 0.09 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.24 1iuk n ASP 85 Cb 0.21 -0.58 -0.15 0.00 -0.02 0.00 0.00 41.12 40.58 1iuk n ASP 85 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1iuk n HIS 86 N -1.69 0.11 -0.31 1.24 8.25 0.13 -4.58 115.22 118.37 1iuk n HIS 86 Ca 0.04 0.03 0.07 0.00 -0.26 0.00 0.00 57.72 57.60 1iuk n HIS 86 Cb 0.23 -0.52 0.17 0.00 1.12 0.00 0.00 29.99 30.99 1iuk n HIS 86 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1iuk h LEU 87 N 0.00 -0.61 -0.34 2.41 6.46 -0.93 -0.85 115.31 121.45 1iuk h LEU 87 Ca 0.00 0.25 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 1iuk h LEU 87 Cb 0.97 0.48 -0.04 0.00 -0.73 0.00 0.00 40.66 41.34 1iuk h LEU 87 CO 0.00 -0.28 0.07 -0.65 -0.62 0.00 0.00 178.44 176.96 1iuk h PRO 88 N 0.03 0.18 0.00 5.25 0.11 -1.81 0.70 132.00 136.47 1iuk h PRO 88 Ca 0.47 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.47 1iuk h PRO 88 Cb 0.83 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1iuk h PRO 88 CO -0.86 0.12 -0.46 1.05 -0.21 0.00 0.00 178.00 177.65 1iuk h GLU 89 N 0.19 0.00 0.14 1.05 4.11 -1.57 -1.65 114.58 116.84 1iuk h GLU 89 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.58 1iuk h GLU 89 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1iuk h GLU 89 CO -0.21 0.46 -0.07 0.28 0.07 0.00 0.00 179.01 179.54 1iuk h VAL 90 N 0.00 1.02 -0.37 -1.06 2.07 -0.66 -1.55 116.25 115.69 1iuk h VAL 90 Ca -0.00 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1iuk h VAL 90 Cb 0.88 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1iuk h VAL 90 CO 0.06 0.20 0.22 -0.07 0.02 0.00 0.00 177.57 178.00 1iuk h LEU 91 N -0.63 0.44 -0.33 2.57 3.38 -0.85 -0.99 115.31 118.90 1iuk h LEU 91 Ca -0.02 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1iuk h LEU 91 Cb 0.48 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1iuk h LEU 91 CO 0.03 0.34 -0.31 0.00 0.09 0.00 0.00 178.44 178.59 1iuk h ALA 92 N 1.73 0.48 -0.17 1.53 0.00 -1.23 -3.08 119.26 118.52 1iuk h ALA 92 Ca 0.14 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1iuk h ALA 92 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1iuk h ALA 92 CO -0.03 0.52 -0.41 1.25 0.00 0.00 0.00 179.25 180.59 1iuk h LEU 93 N 0.57 0.41 -3.16 0.00 5.85 -0.88 -3.48 115.31 114.61 1iuk h LEU 93 Ca 0.05 -0.18 -0.30 0.00 0.84 0.00 0.00 57.88 58.30 1iuk h LEU 93 Cb 0.89 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.82 1iuk h LEU 93 CO 0.08 0.78 -0.66 -1.14 -0.34 0.00 0.00 178.44 177.16 1iuk n ARG 94 N -4.02 -1.40 -1.41 1.25 0.63 -0.41 -4.85 116.66 106.45 1iuk n ARG 94 Ca -0.02 1.00 -0.31 0.00 -0.92 0.00 0.00 57.85 57.60 1iuk n ARG 94 Cb 0.50 -3.85 0.07 0.00 0.45 0.00 0.00 32.46 29.63 1iuk n ARG 94 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1iuk s PRO 95 N -4.35 2.52 0.45 -0.14 0.04 -1.26 -4.84 135.00 127.41 1iuk s PRO 95 Ca 0.06 1.13 0.19 0.00 0.04 0.00 0.00 61.00 62.42 1iuk s PRO 95 Cb -0.02 -1.93 1.06 0.00 0.04 0.00 0.00 34.50 33.64 1iuk s PRO 95 CO 0.84 -1.44 1.95 0.78 0.04 0.00 0.00 177.00 179.17 1iuk h GLY 96 N -0.88 0.00 -5.10 0.56 0.00 -1.04 -3.44 103.07 93.17 1iuk h GLY 96 Ca -0.44 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1iuk h GLY 96 CO 0.53 0.00 -0.02 -2.27 0.00 0.00 0.00 176.54 174.79 1iuk s LEU 97 N -7.86 -0.29 -0.18 3.11 2.96 -0.77 -4.28 118.68 111.36 1iuk s LEU 97 Ca -0.03 1.21 -0.04 0.00 -0.22 0.00 0.00 54.13 55.05 1iuk s LEU 97 Cb 0.14 2.05 -0.02 0.00 0.50 0.00 0.00 46.19 48.86 1iuk s LEU 97 CO 0.66 -0.21 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.76 1iuk s VAL 98 N 0.34 3.73 -0.30 1.68 1.01 -0.06 -0.58 120.40 126.21 1iuk s VAL 98 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1iuk s VAL 98 Cb -0.04 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.74 1iuk s VAL 98 CO 0.00 0.46 0.00 0.86 0.00 0.00 0.00 175.10 176.42 1iuk s TRP 99 N 0.83 3.32 -0.24 5.22 -0.11 0.44 -0.64 118.94 127.76 1iuk s TRP 99 Ca -0.01 -2.04 -0.22 0.00 1.22 0.00 0.00 56.10 55.05 1iuk s TRP 99 Cb -0.14 -2.21 -0.02 0.00 -1.50 0.00 0.00 33.47 29.60 1iuk s TRP 99 CO 0.02 -0.84 0.71 -0.51 -4.62 0.00 0.00 176.95 171.71 1iuk s LEU 100 N 1.20 4.09 1.17 5.86 1.43 0.70 -0.20 118.68 132.93 1iuk s LEU 100 Ca -0.04 0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 53.77 1iuk s LEU 100 Cb -0.20 -2.99 0.27 0.00 0.03 0.00 0.00 46.19 43.30 1iuk s LEU 100 CO -0.02 -0.40 1.04 -1.10 0.23 0.00 0.00 176.35 176.10 1iuk s GLN 101 N 2.50 -0.98 0.19 1.70 -1.52 -0.30 -1.07 119.66 120.18 1iuk s GLN 101 Ca 0.30 0.45 -0.32 0.00 -1.95 0.00 0.00 55.36 53.84 1iuk s GLN 101 Cb -0.16 -1.58 -0.16 0.00 -0.22 0.00 0.00 33.01 30.90 1iuk s GLN 101 CO 0.09 -3.66 1.09 0.43 -0.25 0.00 0.00 175.29 172.98 1iuk n SER 102 N -4.82 1.10 -0.27 5.90 7.64 -1.20 -2.06 113.62 119.93 1iuk n SER 102 Ca 0.07 1.15 -0.03 0.00 1.01 0.00 0.00 58.87 61.06 1iuk n SER 102 Cb 0.57 -1.20 -0.01 0.00 -1.01 0.00 0.00 64.21 62.56 1iuk n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iuk n GLY 103 N 1.87 0.64 2.97 0.23 0.00 -1.26 -4.96 105.19 104.67 1iuk n GLY 103 Ca 0.15 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1iuk n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iuk s ILE 104 N -2.00 1.67 0.04 -0.61 1.01 -0.87 -4.83 121.20 115.61 1iuk s ILE 104 Ca 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 60.65 59.36 1iuk s ILE 104 Cb 0.00 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 1iuk s ILE 104 CO 0.00 -0.08 -0.07 -0.13 0.00 0.00 0.00 174.94 174.66 1iuk s ARG 105 N 1.33 0.51 -0.35 2.79 1.81 -1.26 -3.47 118.95 120.30 1iuk s ARG 105 Ca -0.06 -0.71 0.02 0.00 -1.72 0.00 0.00 55.73 53.25 1iuk s ARG 105 Cb -0.19 -0.27 0.19 0.00 -0.45 0.00 0.00 34.95 34.22 1iuk s ARG 105 CO -0.06 0.05 0.76 -1.58 -0.68 0.00 0.00 175.30 173.79 1iuk s HIS 106 N -1.30 -1.33 0.17 -0.53 2.46 -1.26 -4.67 115.29 108.84 1iuk s HIS 106 Ca -0.10 0.41 -0.23 0.00 0.47 0.00 0.00 55.06 55.61 1iuk s HIS 106 Cb -0.09 0.24 0.05 0.00 -0.13 0.00 0.00 32.58 32.64 1iuk s HIS 106 CO 0.00 -0.85 1.40 -2.30 -2.47 0.00 0.00 174.74 170.52 1iuk n PRO 107 N 4.58 -0.32 -0.05 2.88 -0.02 -1.26 -0.06 135.00 140.74 1iuk n PRO 107 Ca 0.08 1.38 -0.11 0.00 -2.02 0.00 0.00 63.50 62.84 1iuk n PRO 107 Cb 0.58 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 1iuk n PRO 107 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1iuk h GLU 108 N 0.00 0.29 -0.77 -0.52 4.81 -1.98 0.22 114.58 116.63 1iuk h GLU 108 Ca 0.21 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1iuk h GLU 108 Cb 0.44 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1iuk h GLU 108 CO -0.87 0.36 0.49 0.35 -0.73 0.00 0.00 179.01 178.61 1iuk h PHE 109 N 0.16 0.93 -0.40 0.92 3.57 -1.70 0.72 116.94 121.14 1iuk h PHE 109 Ca 0.06 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 1iuk h PHE 109 Cb 0.17 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1iuk h PHE 109 CO -0.01 0.54 -0.33 0.93 -2.23 0.00 0.00 178.31 177.21 1iuk h GLU 110 N 0.97 0.89 -0.62 1.11 5.08 -0.23 -2.61 114.58 119.17 1iuk h GLU 110 Ca 0.30 -0.43 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1iuk h GLU 110 Cb -0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1iuk h GLU 110 CO -0.10 1.08 0.04 -0.22 -1.00 0.00 0.00 179.01 178.81 1iuk h LYS 111 N 0.75 1.05 -0.59 2.33 3.64 -0.04 -1.82 116.57 121.90 1iuk h LYS 111 Ca 0.08 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1iuk h LYS 111 Cb 0.90 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1iuk h LYS 111 CO 0.08 1.01 0.18 0.00 -2.27 0.00 0.00 179.45 178.45 1iuk h ALA 112 N 1.06 1.21 -0.34 5.00 0.00 -0.73 -0.84 119.26 124.61 1iuk h ALA 112 Ca 0.18 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1iuk h ALA 112 Cb 0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1iuk h ALA 112 CO 0.02 0.55 -0.40 -0.07 0.00 0.00 0.00 179.25 179.36 1iuk h LEU 113 N 0.86 0.94 0.10 0.00 3.38 -1.23 -2.24 115.31 117.13 1iuk h LEU 113 Ca 0.19 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1iuk h LEU 113 Cb 0.26 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1iuk h LEU 113 CO -0.01 1.23 -0.06 0.50 0.09 0.00 0.00 178.44 180.20 1iuk h LYS 114 N 0.67 -0.15 -0.63 1.13 3.64 -1.03 0.05 116.57 120.26 1iuk h LYS 114 Ca 0.05 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1iuk h LYS 114 Cb 0.99 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 1iuk h LYS 114 CO 0.10 -0.10 0.42 0.93 -2.27 0.00 0.00 179.45 178.52 1iuk h GLU 115 N -0.16 0.46 0.00 1.90 5.08 -1.12 0.22 114.58 120.96 1iuk h GLU 115 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1iuk h GLU 115 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1iuk h GLU 115 CO 0.01 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.33 1iuk n ALA 116 N -2.50 2.59 -1.59 3.43 0.00 -0.82 -4.87 120.51 116.75 1iuk n ALA 116 Ca 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 1iuk n ALA 116 Cb 0.35 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 1iuk n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iuk n GLY 117 N 0.74 0.52 3.41 0.00 0.00 0.77 -5.03 105.19 105.59 1iuk n GLY 117 Ca 0.12 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1iuk n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iuk s ILE 118 N -2.25 4.22 0.47 -0.61 1.01 -0.06 -5.02 121.20 118.97 1iuk s ILE 118 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 60.65 60.02 1iuk s ILE 118 Cb 0.00 -3.06 -0.08 0.00 0.01 0.00 0.00 42.46 39.33 1iuk s ILE 118 CO 0.00 0.22 1.41 -2.65 0.00 0.00 0.00 174.94 173.92 1iuk n PRO 119 N 4.91 2.13 -4.32 2.79 -0.02 -1.26 -3.95 135.00 135.28 1iuk n PRO 119 Ca -0.15 0.76 -0.19 0.00 -2.02 0.00 0.00 63.50 61.90 1iuk n PRO 119 Cb 0.50 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.22 1iuk n PRO 119 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iuk s VAL 120 N -1.21 0.67 -0.11 -1.45 1.01 -1.26 -0.88 120.40 117.17 1iuk s VAL 120 Ca 0.63 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.32 1iuk s VAL 120 Cb -0.45 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1iuk s VAL 120 CO 0.56 0.21 -0.21 -0.69 0.00 0.00 0.00 175.10 174.97 1iuk s VAL 121 N 0.11 1.91 0.10 2.92 1.01 0.18 -4.77 120.40 121.86 1iuk s VAL 121 Ca -0.01 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.13 1iuk s VAL 121 Cb -0.07 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1iuk s VAL 121 CO 0.00 0.52 -0.19 0.00 0.00 0.00 0.00 175.10 175.44 1iuk s ALA 122 N 0.61 1.66 -1.24 5.51 0.00 -1.26 -0.22 121.76 126.83 1iuk s ALA 122 Ca -0.13 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 50.57 1iuk s ALA 122 Cb -0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1iuk s ALA 122 CO 0.03 0.30 0.75 -3.47 0.00 0.00 0.00 175.76 173.37 1iuk n ASP 123 N 1.05 -2.75 -3.86 0.00 4.64 -0.24 -4.93 116.55 110.48 1iuk n ASP 123 Ca -0.19 -0.84 -0.11 0.00 -1.38 0.00 0.00 54.79 52.26 1iuk n ASP 123 Cb 0.54 -4.10 -0.10 0.00 -1.04 0.00 0.00 41.12 36.42 1iuk n ASP 123 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1iuk s ARG 124 N -5.74 0.47 -0.31 -0.67 0.52 -1.14 -4.74 118.95 107.33 1iuk s ARG 124 Ca 0.16 -0.32 -0.18 0.00 -0.52 0.00 0.00 55.73 54.86 1iuk s ARG 124 Cb -0.04 0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.61 1iuk s ARG 124 CO 0.81 -0.11 0.54 0.00 0.02 0.00 0.00 175.30 176.56 1iuk h LEU 126 N 9.02 0.81 0.11 0.00 5.85 -1.97 0.09 115.31 129.22 1iuk h LEU 126 Ca -0.28 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1iuk h LEU 126 Cb 1.13 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1iuk h LEU 126 CO 0.76 0.45 -0.05 -0.03 -0.34 0.00 0.00 178.44 179.23 1iuk h MET 127 N 0.88 -0.15 -0.19 1.25 4.05 -1.92 0.12 114.93 118.97 1iuk h MET 127 Ca 0.44 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.90 1iuk h MET 127 Cb 0.48 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 1iuk h MET 127 CO -0.20 0.04 -0.01 0.28 0.23 0.00 0.00 176.91 177.24 1iuk h VAL 128 N -0.31 0.85 -0.66 -5.77 2.07 -1.84 -0.56 116.25 110.03 1iuk h VAL 128 Ca -0.02 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1iuk h VAL 128 Cb 0.25 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1iuk h VAL 128 CO 0.03 0.01 0.31 -0.33 0.02 0.00 0.00 177.57 177.60 1iuk h GLU 129 N 0.04 0.94 -0.50 1.57 4.39 -0.89 -0.70 114.58 119.44 1iuk h GLU 129 Ca 0.09 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1iuk h GLU 129 Cb 0.12 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1iuk h GLU 129 CO -0.16 0.73 0.11 1.25 -1.16 0.00 0.00 179.01 179.78 1iuk h HIS 130 N 0.94 0.85 -0.25 4.33 2.76 -0.21 -1.96 115.15 121.61 1iuk h HIS 130 Ca 0.23 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1iuk h HIS 130 Cb 0.11 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 1iuk h HIS 130 CO 0.01 0.77 0.13 0.87 -1.30 0.00 0.00 177.93 178.40 1iuk h LYS 131 N 0.69 0.35 -0.14 5.26 1.57 -0.58 -1.78 116.57 121.95 1iuk h LYS 131 Ca 0.15 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1iuk h LYS 131 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1iuk h LYS 131 CO 0.00 0.34 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.05 1iuk h ARG 132 N 0.28 0.20 0.00 3.15 2.43 -0.99 -1.42 114.38 118.02 1iuk h ARG 132 Ca 0.09 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 58.99 1iuk h ARG 132 Cb 0.10 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1iuk h ARG 132 CO -0.01 0.30 -1.40 -0.07 -1.51 0.00 0.00 179.97 177.28 1iuk h LEU 133 N 0.20 0.00 -2.66 3.80 3.38 -1.23 -3.14 115.31 115.65 1iuk h LEU 133 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1iuk h LEU 133 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1iuk h LEU 133 CO 0.01 0.85 0.00 0.49 0.09 0.00 0.00 178.44 179.89 1iuk n PHE 134 N -3.08 0.36 0.00 1.13 3.01 -0.68 -4.68 117.46 113.52 1iuk n PHE 134 Ca -0.10 -0.42 0.00 0.00 1.01 0.00 0.00 57.45 57.94 1iuk n PHE 134 Cb 0.95 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.40 1iuk n PHE 134 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1iuk n ARG 135 N 0.45 0.50 0.00 -1.08 1.74 -0.54 -5.03 116.66 112.70 1iuk n ARG 135 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1iuk n ARG 135 Cb 0.39 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 1iuk n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52