#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iul s ASN 2 N 0.00 4.79 0.22 6.12 6.03 -1.26 -4.91 114.94 125.93 1iul s ASN 2 Ca 0.00 -1.11 -0.08 0.00 -1.03 0.00 0.00 52.86 50.64 1iul s ASN 2 Cb 0.00 0.40 0.28 0.00 -3.03 0.00 0.00 41.25 38.90 1iul s ASN 2 CO 0.00 -1.21 1.81 0.44 -2.03 0.00 0.00 177.10 176.11 1iul h ASP 3 N 0.53 0.59 -0.38 3.54 3.45 -2.04 0.23 116.42 122.34 1iul h ASP 3 Ca -0.34 0.03 0.04 0.00 0.43 0.00 0.00 57.03 57.19 1iul h ASP 3 Cb 1.30 -0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 39.95 1iul h ASP 3 CO 0.51 0.37 0.15 -0.61 -1.57 0.00 0.00 179.24 178.10 1iul h GLN 4 N 0.73 0.32 -0.24 3.56 4.15 -1.99 0.20 115.11 121.83 1iul h GLN 4 Ca 0.33 -0.02 -0.20 0.00 0.77 0.00 0.00 58.65 59.53 1iul h GLN 4 Cb 0.23 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1iul h GLN 4 CO -0.20 0.21 -0.62 1.49 -1.93 0.00 0.00 178.83 177.79 1iul h GLU 5 N 0.32 0.84 0.00 1.69 4.81 -1.80 -2.84 114.58 117.60 1iul h GLU 5 Ca 0.17 -0.58 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1iul h GLU 5 Cb 0.13 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1iul h GLU 5 CO -0.16 1.21 -0.11 1.25 -0.73 0.00 0.00 179.01 180.47 1iul h LEU 6 N 0.60 0.00 -0.22 1.64 5.85 -0.21 -2.06 115.31 120.92 1iul h LEU 6 Ca -0.01 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 1iul h LEU 6 Cb 1.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.27 1iul h LEU 6 CO 0.13 0.11 -0.76 0.03 -0.34 0.00 0.00 178.44 177.62 1iul h ARG 7 N 0.00 0.73 -0.04 1.25 3.08 -0.42 -2.51 114.38 116.46 1iul h ARG 7 Ca -0.00 -0.59 -0.04 0.00 0.07 0.00 0.00 59.98 59.43 1iul h ARG 7 Cb 0.31 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1iul h ARG 7 CO 0.01 1.20 -0.14 0.00 -1.07 0.00 0.00 179.97 179.97 1iul h ALA 8 N 0.64 1.69 0.08 0.04 0.00 -1.15 0.73 119.26 121.28 1iul h ALA 8 Ca -0.04 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1iul h ALA 8 Cb 1.37 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.14 1iul h ALA 8 CO 0.15 0.23 -0.79 1.88 0.00 0.00 0.00 179.25 180.73 1iul h TYR 9 N 0.06 0.65 0.02 0.00 0.05 -1.46 -2.94 116.97 113.35 1iul h TYR 9 Ca 0.01 -0.41 -0.00 0.00 0.05 0.00 0.00 58.73 58.38 1iul h TYR 9 Cb 0.29 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1iul h TYR 9 CO 0.00 1.26 -0.01 -0.07 -1.05 0.00 0.00 178.16 178.29 1iul h LEU 10 N -0.15 -0.03 -1.93 3.88 3.38 -1.17 -0.94 115.31 118.35 1iul h LEU 10 Ca -0.12 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1iul h LEU 10 Cb 1.54 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 1iul h LEU 10 CO 0.15 0.36 -0.06 0.77 0.09 0.00 0.00 178.44 179.75 1iul h SER 11 N -0.41 0.00 0.63 -0.43 4.64 -1.01 -2.59 113.55 114.39 1iul h SER 11 Ca -0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 1iul h SER 11 Cb 0.39 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 1iul h SER 11 CO 0.01 0.06 -1.51 1.56 -0.87 0.00 0.00 176.83 176.07 1iul h GLN 12 N 0.00 0.00 -6.74 4.77 1.08 -1.46 -3.47 115.11 109.29 1iul h GLN 12 Ca -0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 1iul h GLN 12 Cb 0.36 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.88 1iul h GLN 12 CO 0.01 0.49 0.70 0.00 -0.95 0.00 0.00 178.83 179.07 1iul n ALA 13 N -2.48 1.80 0.01 3.87 0.00 -0.36 -4.92 120.51 118.42 1iul n ALA 13 Ca -0.13 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.66 1iul n ALA 13 Cb 0.97 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 1iul n ALA 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1iul n LYS 14 N 1.49 0.12 -3.70 0.00 4.81 -1.26 -4.92 118.16 114.70 1iul n LYS 14 Ca 0.07 0.05 -0.37 0.00 -0.87 0.00 0.00 58.31 57.20 1iul n LYS 14 Cb 0.35 -0.71 -0.07 0.00 0.02 0.00 0.00 35.03 34.62 1iul n LYS 14 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1iul s THR 15 N -2.18 5.36 -0.22 3.15 -4.23 -1.26 -0.14 115.64 116.13 1iul s THR 15 Ca -0.07 0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1iul s THR 15 Cb 0.02 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.39 1iul s THR 15 CO 0.10 0.51 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.02 1iul s ILE 16 N -0.32 1.30 0.06 2.99 1.01 -0.64 -1.82 121.20 123.78 1iul s ILE 16 Ca 0.15 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.55 1iul s ILE 16 Cb -0.13 -1.59 -0.06 0.00 0.01 0.00 0.00 42.46 40.70 1iul s ILE 16 CO 0.04 -0.08 0.73 0.00 0.00 0.00 0.00 174.94 175.63 1iul s ALA 17 N 1.51 3.42 -0.41 9.38 0.00 0.28 -0.60 121.76 135.34 1iul s ALA 17 Ca -0.04 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 1iul s ALA 17 Cb -0.18 -2.92 0.10 0.00 0.00 0.00 0.00 23.12 20.12 1iul s ALA 17 CO -0.07 0.15 0.22 0.08 0.00 0.00 0.00 175.76 176.14 1iul s VAL 18 N -0.37 3.67 -0.41 0.00 1.01 -0.25 -0.09 120.40 123.96 1iul s VAL 18 Ca 0.36 -1.74 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 1iul s VAL 18 Cb -0.21 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1iul s VAL 18 CO 0.22 -0.58 1.02 -0.22 0.00 0.00 0.00 175.10 175.54 1iul s LEU 19 N 1.27 3.87 0.00 3.92 2.96 -0.18 -1.61 118.68 128.92 1iul s LEU 19 Ca 0.05 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 1iul s LEU 19 Cb -0.23 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1iul s LEU 19 CO -0.01 -1.02 0.00 0.61 -1.32 0.00 0.00 176.35 174.61 1iul n GLY 20 N 4.53 1.12 3.56 7.98 0.00 -0.26 -0.54 105.19 121.57 1iul n GLY 20 Ca 0.09 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.64 1iul n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iul n ALA 21 N -1.69 -0.94 -2.44 4.61 0.00 -1.14 -4.82 120.51 114.09 1iul n ALA 21 Ca 0.00 0.44 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 1iul n ALA 21 Cb 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 19.45 17.38 1iul n ALA 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1iul s HIS 22 N -0.55 2.16 -0.17 0.00 2.46 -0.99 -4.74 115.29 113.46 1iul s HIS 22 Ca 0.68 -0.38 -0.08 0.00 0.47 0.00 0.00 55.06 55.75 1iul s HIS 22 Cb -0.83 -0.95 -0.23 0.00 -0.13 0.00 0.00 32.58 30.44 1iul s HIS 22 CO 0.55 0.63 0.20 1.17 -2.47 0.00 0.00 174.74 174.82 1iul n LYS 23 N -0.53 0.70 -1.60 2.88 3.00 -1.26 -4.27 118.16 117.07 1iul n LYS 23 Ca -0.06 0.29 -0.49 0.00 -0.00 0.00 0.00 58.31 58.05 1iul n LYS 23 Cb 0.60 -1.67 -0.05 0.00 0.00 0.00 0.00 35.03 33.91 1iul n LYS 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1iul n ASP 24 N -3.63 2.93 0.00 3.14 4.64 -1.26 -4.81 116.55 117.55 1iul n ASP 24 Ca -0.36 0.71 0.04 0.00 -1.38 0.00 0.00 54.79 53.81 1iul n ASP 24 Cb 0.97 -1.34 0.23 0.00 -1.04 0.00 0.00 41.12 39.94 1iul n ASP 24 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1iul n PRO 25 N 7.29 0.14 0.13 -0.67 -0.04 -1.26 -2.42 135.00 138.18 1iul n PRO 25 Ca 0.30 0.19 0.07 0.00 -0.04 0.00 0.00 63.50 64.01 1iul n PRO 25 Cb 0.28 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.28 1iul n PRO 25 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1iul h SER 26 N 0.00 0.00 -3.38 3.54 4.64 -1.99 -3.40 113.55 112.96 1iul h SER 26 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1iul h SER 26 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1iul h SER 26 CO 0.00 0.24 -0.12 -0.13 -0.87 0.00 0.00 176.83 175.95 1iul s ARG 27 N -3.13 3.75 0.40 4.77 0.52 -1.01 -4.95 118.95 119.30 1iul s ARG 27 Ca 0.02 0.20 0.08 0.00 -0.52 0.00 0.00 55.73 55.51 1iul s ARG 27 Cb 0.08 -2.65 0.86 0.00 0.52 0.00 0.00 34.95 33.76 1iul s ARG 27 CO 0.75 0.29 2.02 -1.35 0.02 0.00 0.00 175.30 177.03 1iul h PRO 28 N 2.33 0.56 0.00 3.54 0.11 -1.90 -0.51 132.00 136.12 1iul h PRO 28 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1iul h PRO 28 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1iul h PRO 28 CO 0.69 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.84 1iul n ALA 29 N -2.48 1.02 -0.02 -0.75 0.00 -1.26 -1.58 120.51 115.43 1iul n ALA 29 Ca 0.06 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 1iul n ALA 29 Cb 0.16 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1iul n ALA 29 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1iul n HIS 30 N -1.66 0.00 0.24 0.00 -0.00 -0.28 -2.35 115.22 111.17 1iul n HIS 30 Ca -0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 1iul n HIS 30 Cb 0.01 -0.21 0.53 0.00 -0.00 0.00 0.00 29.99 30.32 1iul n HIS 30 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1iul h TYR 31 N -0.24 0.00 0.07 1.57 -0.00 -1.31 -0.84 116.97 116.23 1iul h TYR 31 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.60 1iul h TYR 31 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.65 1iul h TYR 31 CO -0.04 0.15 -0.04 0.28 -0.00 0.00 0.00 178.16 178.52 1iul h VAL 32 N 0.00 1.20 -0.37 -0.90 2.07 -1.54 -1.71 116.25 115.00 1iul h VAL 32 Ca -0.00 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 1iul h VAL 32 Cb 0.66 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1iul h VAL 32 CO 0.02 0.32 0.11 -0.65 0.02 0.00 0.00 177.57 177.39 1iul h PRO 33 N -0.77 0.54 -0.72 1.57 0.11 -1.70 -0.51 132.00 130.52 1iul h PRO 33 Ca -0.01 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1iul h PRO 33 Cb 0.60 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 1iul h PRO 33 CO 0.02 0.48 0.32 -0.09 -0.21 0.00 0.00 178.00 178.51 1iul h ARG 34 N 0.53 1.06 -0.57 1.05 2.43 -1.16 0.11 114.38 117.82 1iul h ARG 34 Ca 0.13 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 1iul h ARG 34 Cb 0.17 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1iul h ARG 34 CO -0.01 0.85 -0.04 -0.92 -1.51 0.00 0.00 179.97 178.34 1iul h TYR 35 N 1.02 1.15 -0.31 2.20 5.03 -0.52 -2.59 116.97 122.95 1iul h TYR 35 Ca 0.24 -0.22 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1iul h TYR 35 Cb 0.16 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 1iul h TYR 35 CO 0.01 1.03 0.16 -0.07 -1.32 0.00 0.00 178.16 177.98 1iul h LEU 36 N 0.93 0.39 -1.15 2.82 4.07 -0.50 -2.72 115.31 119.16 1iul h LEU 36 Ca 0.16 -0.10 0.07 0.00 0.08 0.00 0.00 57.88 58.08 1iul h LEU 36 Cb 0.61 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 42.19 1iul h LEU 36 CO 0.04 0.38 0.59 -0.09 -1.08 0.00 0.00 178.44 178.27 1iul h ARG 37 N 0.37 1.00 0.00 1.13 2.43 -0.67 0.14 114.38 118.79 1iul h ARG 37 Ca 0.11 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1iul h ARG 37 Cb 0.08 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1iul h ARG 37 CO -0.02 0.66 0.00 -0.85 -1.51 0.00 0.00 179.97 178.25 1iul n GLU 38 N -4.49 0.22 -0.56 0.20 0.28 -0.99 -2.73 120.64 112.57 1iul n GLU 38 Ca 0.14 0.12 0.09 0.00 -0.16 0.00 0.00 57.16 57.34 1iul n GLU 38 Cb 0.20 -1.50 0.32 0.00 1.43 0.00 0.00 31.44 31.89 1iul n GLU 38 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1iul n GLN 39 N -1.33 3.63 -0.42 3.44 1.13 0.50 -4.93 117.38 119.40 1iul n GLN 39 Ca 0.08 -2.81 0.00 0.00 -1.94 0.00 0.00 57.00 52.33 1iul n GLN 39 Cb 0.17 -1.85 0.00 0.00 0.11 0.00 0.00 30.24 28.67 1iul n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1iul n GLY 40 N 0.73 0.78 3.90 1.08 0.00 -1.11 -5.08 105.19 105.51 1iul n GLY 40 Ca 0.24 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1iul n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iul s TYR 41 N -2.00 3.56 -0.73 1.61 1.51 -1.18 -4.96 117.35 115.16 1iul s TYR 41 Ca 0.00 0.38 -0.17 0.00 -1.01 0.00 0.00 57.07 56.27 1iul s TYR 41 Cb 0.00 -1.85 0.14 0.00 -0.11 0.00 0.00 41.96 40.15 1iul s TYR 41 CO 0.00 0.65 0.80 0.50 -1.11 0.00 0.00 175.55 176.39 1iul s ARG 42 N -1.87 3.32 -0.12 -0.62 3.52 0.81 -4.28 118.95 119.71 1iul s ARG 42 Ca 0.27 -1.76 -0.24 0.00 -0.13 0.00 0.00 55.73 53.87 1iul s ARG 42 Cb -0.13 -4.46 -0.03 0.00 -1.56 0.00 0.00 34.95 28.78 1iul s ARG 42 CO 0.18 -1.51 0.74 0.14 -0.81 0.00 0.00 175.30 174.03 1iul s VAL 43 N 1.92 4.99 -0.40 7.11 -7.23 -1.26 -1.62 120.40 123.92 1iul s VAL 43 Ca 0.17 1.47 -0.09 0.00 -1.81 0.00 0.00 61.98 61.73 1iul s VAL 43 Cb -0.16 -4.06 0.06 0.00 0.56 0.00 0.00 36.38 32.78 1iul s VAL 43 CO -0.02 0.16 0.22 -0.76 -0.31 0.00 0.00 175.10 174.39 1iul s LEU 44 N 1.41 4.92 0.16 1.32 1.43 0.23 -4.84 118.68 123.32 1iul s LEU 44 Ca 0.37 -1.34 -0.30 0.00 -1.03 0.00 0.00 54.13 51.82 1iul s LEU 44 Cb -0.17 -1.97 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 1iul s LEU 44 CO 0.15 -0.47 1.25 -2.16 0.23 0.00 0.00 176.35 175.36 1iul s PRO 45 N 1.45 4.43 -0.14 1.29 0.04 -1.26 -1.09 135.00 139.72 1iul s PRO 45 Ca 0.02 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1iul s PRO 45 Cb -0.22 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.12 1iul s PRO 45 CO 0.03 -0.20 0.00 0.08 0.04 0.00 0.00 177.00 176.95 1iul s VAL 46 N 0.31 0.59 -0.30 -0.36 1.01 -0.63 -2.47 120.40 118.55 1iul s VAL 46 Ca 0.56 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 1iul s VAL 46 Cb -0.34 -0.89 0.17 0.00 0.00 0.00 0.00 36.38 35.33 1iul s VAL 46 CO 0.35 0.05 1.00 0.21 0.00 0.00 0.00 175.10 176.71 1iul s ASN 47 N 1.86 -0.57 0.42 3.32 3.84 0.46 -1.11 114.94 123.16 1iul s ASN 47 Ca 0.02 0.66 0.12 0.00 0.21 0.00 0.00 52.86 53.86 1iul s ASN 47 Cb -0.15 1.60 0.96 0.00 -0.55 0.00 0.00 41.25 43.11 1iul s ASN 47 CO -0.07 -0.11 1.97 1.55 -2.79 0.00 0.00 177.10 177.66 1iul h PRO 48 N 7.61 0.48 -0.01 0.43 0.13 -1.74 -1.74 132.00 137.16 1iul h PRO 48 Ca -0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1iul h PRO 48 Cb 1.13 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1iul h PRO 48 CO 0.05 0.32 0.02 0.00 -0.23 0.00 0.00 178.00 178.16 1iul h ARG 49 N 0.49 0.00 0.00 0.86 3.08 -1.93 -2.72 114.38 114.16 1iul h ARG 49 Ca 0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 1iul h ARG 49 Cb 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 1iul h ARG 49 CO -0.09 0.00 -0.37 1.19 -1.07 0.00 0.00 179.97 179.63 1iul n PHE 50 N -3.58 0.00 -1.69 3.04 3.01 -0.70 -5.08 117.46 112.46 1iul n PHE 50 Ca -0.03 -0.76 -0.44 0.00 1.01 0.00 0.00 57.45 57.23 1iul n PHE 50 Cb 0.10 -0.14 -0.02 0.00 -0.01 0.00 0.00 39.48 39.41 1iul n PHE 50 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1iul n GLN 51 N -0.73 2.13 0.00 -1.08 0.00 -0.90 -1.50 117.38 115.30 1iul n GLN 51 Ca 0.11 0.76 0.00 0.00 -0.00 0.00 0.00 57.00 57.86 1iul n GLN 51 Cb 0.73 -2.41 0.00 0.00 0.00 0.00 0.00 30.24 28.57 1iul n GLN 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1iul n GLY 52 N 1.81 2.75 3.86 1.69 0.00 0.11 -4.95 105.19 110.45 1iul n GLY 52 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1iul n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iul s GLU 53 N -0.39 3.88 -0.01 1.61 2.02 -0.56 -4.71 118.70 120.52 1iul s GLU 53 Ca 0.00 0.36 -0.26 0.00 0.02 0.00 0.00 54.97 55.09 1iul s GLU 53 Cb 0.00 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 1iul s GLU 53 CO 0.00 0.39 0.82 -2.00 0.02 0.00 0.00 175.26 174.49 1iul s GLU 54 N -2.43 4.50 -0.05 1.61 2.12 -1.26 0.41 118.70 123.60 1iul s GLU 54 Ca 0.43 1.13 -0.02 0.00 0.36 0.00 0.00 54.97 56.87 1iul s GLU 54 Cb -0.13 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.86 1iul s GLU 54 CO 0.20 0.07 0.11 -0.51 -0.54 0.00 0.00 175.26 174.59 1iul s LEU 55 N 0.68 0.91 -1.45 2.70 1.43 0.15 -4.83 118.68 118.27 1iul s LEU 55 Ca 0.43 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1iul s LEU 55 Cb -0.20 0.26 0.02 0.00 0.03 0.00 0.00 46.19 46.29 1iul s LEU 55 CO 0.23 -0.13 0.30 0.49 0.23 0.00 0.00 176.35 177.47 1iul n PHE 56 N 4.07 -1.58 -1.31 0.29 3.72 -1.26 -1.28 117.46 120.11 1iul n PHE 56 Ca -0.25 0.27 -0.06 0.00 -0.05 0.00 0.00 57.45 57.35 1iul n PHE 56 Cb 0.52 -3.68 -0.02 0.00 -0.94 0.00 0.00 39.48 35.36 1iul n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iul n GLY 57 N -1.17 0.75 3.06 1.37 0.00 -1.26 -4.89 105.19 103.05 1iul n GLY 57 Ca -0.13 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 1iul n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iul s GLU 58 N -2.77 0.45 -0.06 1.61 0.41 -0.40 -5.13 118.70 112.81 1iul s GLU 58 Ca 0.00 -0.64 -0.30 0.00 -0.41 0.00 0.00 54.97 53.62 1iul s GLU 58 Cb 0.00 0.17 -0.02 0.00 -1.78 0.00 0.00 34.13 32.50 1iul s GLU 58 CO 0.00 -0.10 1.07 -2.00 -0.49 0.00 0.00 175.26 173.74 1iul s GLU 59 N -1.94 4.43 0.04 1.61 2.12 -1.26 0.34 118.70 124.03 1iul s GLU 59 Ca -0.11 1.50 -0.30 0.00 0.36 0.00 0.00 54.97 56.42 1iul s GLU 59 Cb -0.06 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.76 1iul s GLU 59 CO -0.02 -0.30 1.33 0.00 -0.54 0.00 0.00 175.26 175.73 1iul s ALA 60 N 1.81 3.53 0.21 6.30 0.00 0.17 -4.76 121.76 129.02 1iul s ALA 60 Ca 0.52 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.43 1iul s ALA 60 Cb -0.21 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1iul s ALA 60 CO 0.22 -0.71 0.25 0.14 0.00 0.00 0.00 175.76 175.66 1iul s VAL 61 N 1.74 4.87 0.04 0.00 -7.23 -1.03 0.09 120.40 118.88 1iul s VAL 61 Ca 0.62 -1.08 0.10 0.00 -1.81 0.00 0.00 61.98 59.81 1iul s VAL 61 Cb -0.32 -3.58 -0.14 0.00 0.56 0.00 0.00 36.38 32.90 1iul s VAL 61 CO 0.28 -0.25 1.27 0.00 -0.31 0.00 0.00 175.10 176.09 1iul h ALA 62 N 1.70 0.46 -2.45 1.32 0.00 -1.90 0.13 119.26 118.52 1iul h ALA 62 Ca -0.49 -0.83 -0.35 0.00 0.00 0.00 0.00 54.91 53.23 1iul h ALA 62 Cb 1.22 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 1iul h ALA 62 CO 0.63 1.11 -0.73 0.45 0.00 0.00 0.00 179.25 180.71 1iul s SER 63 N -6.59 1.85 0.41 0.00 0.15 -1.26 -3.73 113.70 104.52 1iul s SER 63 Ca 0.01 -0.94 0.16 0.00 0.70 0.00 0.00 55.95 55.88 1iul s SER 63 Cb 0.09 -0.03 0.87 0.00 -1.71 0.00 0.00 66.02 65.24 1iul s SER 63 CO 0.80 -0.27 1.88 -0.07 1.20 0.00 0.00 173.24 176.79 1iul h LEU 64 N 3.04 0.00 0.00 3.45 3.38 -1.95 -1.62 115.31 121.62 1iul h LEU 64 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1iul h LEU 64 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1iul h LEU 64 CO 0.59 0.30 0.00 0.18 0.09 0.00 0.00 178.44 179.60 1iul n LEU 65 N -4.01 0.00 0.01 1.67 4.32 -1.26 -2.30 117.00 115.43 1iul n LEU 65 Ca -0.02 0.32 0.12 0.00 -0.02 0.00 0.00 56.01 56.42 1iul n LEU 65 Cb 0.36 -0.32 0.25 0.00 -1.62 0.00 0.00 43.42 42.09 1iul n LEU 65 CO 0.37 -0.11 0.45 0.47 -1.22 0.00 0.00 177.39 177.35 1iul n ASP 66 N -1.32 0.50 -4.77 -1.43 10.43 -0.61 -4.92 116.55 114.43 1iul n ASP 66 Ca 0.08 -0.18 -0.37 0.00 2.57 0.00 0.00 54.79 56.89 1iul n ASP 66 Cb 0.17 0.22 -0.01 0.00 1.84 0.00 0.00 41.12 43.34 1iul n ASP 66 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1iul s LEU 67 N -3.14 4.05 -0.13 0.64 1.43 -0.97 -4.99 118.68 115.57 1iul s LEU 67 Ca 0.10 2.32 -0.03 0.00 -1.03 0.00 0.00 54.13 55.50 1iul s LEU 67 Cb 0.17 -4.19 -0.25 0.00 0.03 0.00 0.00 46.19 41.95 1iul s LEU 67 CO 0.70 -0.87 0.31 1.17 0.23 0.00 0.00 176.35 177.89 1iul n LYS 68 N -0.37 0.73 -3.85 1.70 3.00 -1.26 -4.97 118.16 113.14 1iul n LYS 68 Ca 0.07 0.25 -0.21 0.00 -0.00 0.00 0.00 58.31 58.41 1iul n LYS 68 Cb 0.48 -1.69 -0.03 0.00 0.00 0.00 0.00 35.03 33.79 1iul n LYS 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1iul s GLU 69 N -2.56 3.06 0.74 1.64 -1.05 -1.26 -5.09 118.70 114.18 1iul s GLU 69 Ca -0.22 -1.03 -0.14 0.00 -0.15 0.00 0.00 54.97 53.43 1iul s GLU 69 Cb 0.07 -2.69 0.04 0.00 -0.44 0.00 0.00 34.13 31.12 1iul s GLU 69 CO 0.75 0.25 1.16 -2.14 0.95 0.00 0.00 175.26 176.24 1iul s PRO 70 N -4.00 2.17 -0.20 -4.83 0.02 -1.26 -5.01 135.00 121.90 1iul s PRO 70 Ca 0.38 1.58 -0.04 0.00 0.02 0.00 0.00 61.00 62.94 1iul s PRO 70 Cb -0.08 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1iul s PRO 70 CO 0.28 -1.77 -0.02 0.08 -0.33 0.00 0.00 177.00 175.23 1iul s VAL 71 N -2.25 3.75 -0.04 3.83 1.01 -1.26 -4.79 120.40 120.65 1iul s VAL 71 Ca 0.70 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 62.08 1iul s VAL 71 Cb -0.25 -2.69 -0.30 0.00 0.00 0.00 0.00 36.38 33.14 1iul s VAL 71 CO 0.47 0.44 0.92 0.44 0.00 0.00 0.00 175.10 177.37 1iul h ASP 72 N 7.55 0.44 -3.54 3.32 3.45 -1.81 -1.85 116.42 123.98 1iul h ASP 72 Ca -0.36 -0.92 -0.38 0.00 0.43 0.00 0.00 57.03 55.79 1iul h ASP 72 Cb 1.18 -0.14 -0.33 0.00 -0.56 0.00 0.00 39.33 39.47 1iul h ASP 72 CO 0.60 1.33 -0.76 -0.63 -1.57 0.00 0.00 179.24 178.21 1iul s ILE 73 N -2.56 0.44 -0.48 0.35 1.01 -0.76 -1.98 121.20 117.22 1iul s ILE 73 Ca -0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 1iul s ILE 73 Cb 0.01 -0.46 0.11 0.00 0.01 0.00 0.00 42.46 42.13 1iul s ILE 73 CO 0.82 0.19 0.38 -0.22 0.00 0.00 0.00 174.94 176.11 1iul s LEU 74 N 0.77 5.76 -0.53 2.97 2.96 0.42 -0.56 118.68 130.47 1iul s LEU 74 Ca -0.09 -1.79 -0.25 0.00 -0.22 0.00 0.00 54.13 51.78 1iul s LEU 74 Cb -0.13 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.53 1iul s LEU 74 CO -0.00 -0.72 0.95 -0.62 -1.32 0.00 0.00 176.35 174.64 1iul s ASP 75 N 2.85 6.38 -0.18 3.68 2.15 0.87 0.04 116.67 132.47 1iul s ASP 75 Ca 0.05 -0.21 -0.14 0.00 0.43 0.00 0.00 52.55 52.67 1iul s ASP 75 Cb -0.27 -2.45 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 1iul s ASP 75 CO 0.01 -1.20 0.32 -0.69 -0.17 0.00 0.00 175.17 173.45 1iul s VAL 76 N 3.96 5.27 -0.36 1.11 1.01 0.11 -1.01 120.40 130.49 1iul s VAL 76 Ca 0.33 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.93 1iul s VAL 76 Cb -0.12 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1iul s VAL 76 CO 0.21 0.34 0.46 0.49 0.00 0.00 0.00 175.10 176.61 1iul n PHE 77 N 3.93 0.00 -2.39 5.22 3.72 0.30 -1.55 117.46 126.69 1iul n PHE 77 Ca -0.11 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.90 1iul n PHE 77 Cb 0.52 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 1iul n PHE 77 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1iul s ARG 78 N -0.62 4.44 0.74 -1.08 1.81 -1.22 -4.95 118.95 118.07 1iul s ARG 78 Ca 0.03 1.85 -0.14 0.00 -1.72 0.00 0.00 55.73 55.75 1iul s ARG 78 Cb 0.03 -3.01 0.04 0.00 -0.45 0.00 0.00 34.95 31.56 1iul s ARG 78 CO 0.07 0.02 1.17 -1.25 -0.68 0.00 0.00 175.30 174.64 1iul s PRO 79 N -1.76 2.15 0.33 3.54 0.04 -1.26 -4.85 135.00 133.19 1iul s PRO 79 Ca 0.49 1.63 0.12 0.00 0.04 0.00 0.00 61.00 63.28 1iul s PRO 79 Cb -0.32 -1.85 0.96 0.00 0.04 0.00 0.00 34.50 33.34 1iul s PRO 79 CO 0.41 -1.80 1.72 -1.35 0.04 0.00 0.00 177.00 176.02 1iul h PRO 80 N -0.46 0.48 0.00 0.56 0.11 -1.88 0.91 132.00 131.73 1iul h PRO 80 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1iul h PRO 80 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1iul h PRO 80 CO 0.50 0.32 0.00 -1.13 -0.21 0.00 0.00 178.00 177.48 1iul n SER 81 N -4.89 0.00 -0.25 -2.05 3.41 -1.26 -2.54 113.62 106.03 1iul n SER 81 Ca 0.28 -0.14 0.03 0.00 -0.26 0.00 0.00 58.87 58.78 1iul n SER 81 Cb 0.83 -0.20 0.04 0.00 -0.26 0.00 0.00 64.21 64.62 1iul n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iul n ALA 82 N -1.20 2.32 0.12 7.33 0.00 0.31 -4.75 120.51 124.63 1iul n ALA 82 Ca 0.10 -0.77 -0.24 0.00 0.00 0.00 0.00 53.44 52.53 1iul n ALA 82 Cb 0.12 -0.19 -0.16 0.00 0.00 0.00 0.00 19.45 19.22 1iul n ALA 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1iul h LEU 83 N 1.01 0.75 -1.48 0.00 3.38 -1.45 -3.36 115.31 114.15 1iul h LEU 83 Ca 0.00 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.03 1iul h LEU 83 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1iul h LEU 83 CO 0.00 1.69 0.16 -0.03 0.09 0.00 0.00 178.44 180.35 1iul h MET 84 N 0.06 0.51 0.00 1.13 4.05 -1.85 -1.85 114.93 116.98 1iul h MET 84 Ca -0.26 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.05 1iul h MET 84 Cb 2.08 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 32.77 1iul h MET 84 CO 0.24 0.41 -0.24 -0.44 0.23 0.00 0.00 176.91 177.11 1iul h ASP 85 N 0.51 0.00 0.35 1.39 5.19 -1.90 -2.70 116.42 119.26 1iul h ASP 85 Ca 0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1iul h ASP 85 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1iul h ASP 85 CO -0.02 0.24 -0.46 1.41 -3.12 0.00 0.00 179.24 177.30 1iul n HIS 86 N -3.71 0.00 -0.25 4.55 8.25 -0.73 -4.47 115.22 118.85 1iul n HIS 86 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1iul n HIS 86 Cb 0.35 -0.18 0.13 0.00 1.12 0.00 0.00 29.99 31.42 1iul n HIS 86 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1iul h LEU 87 N 0.51 -0.47 -1.61 2.41 6.46 -1.12 -0.13 115.31 121.36 1iul h LEU 87 Ca 0.00 0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1iul h LEU 87 Cb 0.51 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 1iul h LEU 87 CO 0.00 -0.20 0.06 -0.65 -0.62 0.00 0.00 178.44 177.02 1iul h PRO 88 N 0.06 0.31 -0.03 5.25 0.11 -1.80 -0.66 132.00 135.23 1iul h PRO 88 Ca 0.39 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 1iul h PRO 88 Cb 0.67 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1iul h PRO 88 CO -0.70 0.29 -0.02 0.93 -0.21 0.00 0.00 178.00 178.29 1iul h GLU 89 N 0.31 0.07 -0.50 1.05 5.08 -1.35 -1.38 114.58 117.86 1iul h GLU 89 Ca 0.08 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1iul h GLU 89 Cb 0.11 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1iul h GLU 89 CO -0.00 0.46 0.12 0.28 -1.00 0.00 0.00 179.01 178.87 1iul h VAL 90 N -0.32 1.21 -0.33 3.13 2.07 -1.10 0.23 116.25 121.13 1iul h VAL 90 Ca 0.01 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1iul h VAL 90 Cb 0.44 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1iul h VAL 90 CO 0.00 0.28 -0.17 -0.07 0.02 0.00 0.00 177.57 177.64 1iul h LEU 91 N 0.74 0.73 0.15 2.57 3.38 -1.09 0.14 115.31 121.92 1iul h LEU 91 Ca 0.16 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1iul h LEU 91 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1iul h LEU 91 CO -0.00 0.97 -0.07 0.00 0.09 0.00 0.00 178.44 179.43 1iul h ALA 92 N 0.78 -0.21 -0.98 1.53 0.00 -0.92 -2.93 119.26 116.53 1iul h ALA 92 Ca 0.07 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1iul h ALA 92 Cb 0.70 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1iul h ALA 92 CO 0.05 -0.48 0.63 1.25 0.00 0.00 0.00 179.25 180.70 1iul h LEU 93 N -0.48 0.98 -3.23 0.00 5.85 -0.56 -3.47 115.31 114.41 1iul h LEU 93 Ca -0.02 0.01 -0.38 0.00 0.84 0.00 0.00 57.88 58.33 1iul h LEU 93 Cb 0.37 -0.19 0.05 0.00 0.37 0.00 0.00 40.66 41.26 1iul h LEU 93 CO 0.03 0.61 -0.83 -1.14 -0.34 0.00 0.00 178.44 176.78 1iul n ARG 94 N -4.51 -1.24 -1.20 1.25 0.63 0.47 -4.81 116.66 107.25 1iul n ARG 94 Ca 0.16 0.66 -0.31 0.00 -0.92 0.00 0.00 57.85 57.44 1iul n ARG 94 Cb 0.22 -3.93 0.10 0.00 0.45 0.00 0.00 32.46 29.30 1iul n ARG 94 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1iul s PRO 95 N -5.38 2.11 0.52 -0.14 0.04 -1.26 -4.88 135.00 126.01 1iul s PRO 95 Ca 0.31 1.23 0.24 0.00 0.04 0.00 0.00 61.00 62.82 1iul s PRO 95 Cb -0.12 -1.88 1.41 0.00 0.04 0.00 0.00 34.50 33.96 1iul s PRO 95 CO 0.86 -1.76 2.09 0.78 0.04 0.00 0.00 177.00 179.01 1iul h GLY 96 N -1.18 0.00 -5.14 0.56 0.00 -1.20 -3.44 103.07 92.68 1iul h GLY 96 Ca -0.44 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1iul h GLY 96 CO 0.50 0.00 0.11 -2.27 0.00 0.00 0.00 176.54 174.88 1iul s LEU 97 N -7.72 -0.82 -0.22 3.11 2.96 -0.84 -4.26 118.68 110.88 1iul s LEU 97 Ca -0.04 1.38 -0.09 0.00 -0.22 0.00 0.00 54.13 55.16 1iul s LEU 97 Cb 0.14 2.30 -0.05 0.00 0.50 0.00 0.00 46.19 49.08 1iul s LEU 97 CO 0.61 -0.22 0.13 -0.69 -1.32 0.00 0.00 176.35 174.85 1iul s VAL 98 N 1.26 5.16 -0.22 1.68 1.01 -0.45 -0.44 120.40 128.39 1iul s VAL 98 Ca -0.07 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1iul s VAL 98 Cb -0.05 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1iul s VAL 98 CO -0.14 0.39 -0.10 0.86 0.00 0.00 0.00 175.10 176.11 1iul s TRP 99 N 0.82 2.97 -0.28 5.22 -0.11 0.11 -1.25 118.94 126.42 1iul s TRP 99 Ca 0.06 -1.49 -0.15 0.00 1.22 0.00 0.00 56.10 55.74 1iul s TRP 99 Cb -0.13 -2.02 -0.03 0.00 -1.50 0.00 0.00 33.47 29.79 1iul s TRP 99 CO 0.02 -0.72 0.36 -0.51 -4.62 0.00 0.00 176.95 171.49 1iul s LEU 100 N 1.34 4.08 1.16 5.86 1.43 0.22 0.08 118.68 132.84 1iul s LEU 100 Ca 0.02 0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 1iul s LEU 100 Cb -0.15 -2.40 0.27 0.00 0.03 0.00 0.00 46.19 43.94 1iul s LEU 100 CO -0.07 -0.20 1.04 -1.10 0.23 0.00 0.00 176.35 176.25 1iul s GLN 101 N 2.06 -0.87 0.16 1.70 -1.52 -0.60 -1.21 119.66 119.38 1iul s GLN 101 Ca 0.14 0.58 -0.34 0.00 -1.95 0.00 0.00 55.36 53.80 1iul s GLN 101 Cb -0.16 -1.58 -0.16 0.00 -0.22 0.00 0.00 33.01 30.90 1iul s GLN 101 CO 0.10 -3.62 1.24 0.43 -0.25 0.00 0.00 175.29 173.19 1iul n SER 102 N -4.81 1.60 -0.29 5.90 7.64 -1.20 -1.96 113.62 120.50 1iul n SER 102 Ca 0.05 1.13 -0.04 0.00 1.01 0.00 0.00 58.87 61.02 1iul n SER 102 Cb 0.56 -1.24 -0.02 0.00 -1.01 0.00 0.00 64.21 62.51 1iul n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iul n GLY 103 N 2.20 0.67 2.94 0.23 0.00 -1.26 -4.94 105.19 105.03 1iul n GLY 103 Ca 0.16 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1iul n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iul s ILE 104 N -2.08 1.40 0.02 -0.61 1.01 -0.83 -4.85 121.20 115.27 1iul s ILE 104 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 1iul s ILE 104 Cb 0.00 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 1iul s ILE 104 CO 0.00 0.12 0.05 -0.13 0.00 0.00 0.00 174.94 174.98 1iul s ARG 105 N 1.50 0.45 -0.32 2.79 1.81 -1.26 -3.17 118.95 120.75 1iul s ARG 105 Ca -0.01 -0.62 0.05 0.00 -1.72 0.00 0.00 55.73 53.43 1iul s ARG 105 Cb -0.16 0.17 0.19 0.00 -0.45 0.00 0.00 34.95 34.71 1iul s ARG 105 CO -0.08 -0.10 0.65 -1.58 -0.68 0.00 0.00 175.30 173.52 1iul s HIS 106 N -1.86 -1.67 0.21 -0.53 2.46 -1.26 -4.68 115.29 107.95 1iul s HIS 106 Ca -0.12 0.77 -0.18 0.00 0.47 0.00 0.00 55.06 56.01 1iul s HIS 106 Cb -0.06 0.29 0.20 0.00 -0.13 0.00 0.00 32.58 32.89 1iul s HIS 106 CO -0.02 -1.02 1.58 -1.35 -2.47 0.00 0.00 174.74 171.47 1iul h PRO 107 N 7.60 -0.08 0.68 2.88 0.11 -2.00 -0.66 132.00 140.53 1iul h PRO 107 Ca -0.00 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1iul h PRO 107 Cb 1.19 0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.32 1iul h PRO 107 CO 0.11 -0.05 -0.33 1.49 -0.21 0.00 0.00 178.00 179.00 1iul h GLU 108 N -0.08 -0.89 -0.49 1.05 4.81 -1.99 -0.18 114.58 116.80 1iul h GLU 108 Ca 0.30 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.69 1iul h GLU 108 Cb 0.57 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 30.06 1iul h GLU 108 CO -0.79 -0.59 -0.13 0.35 -0.73 0.00 0.00 179.01 177.12 1iul h PHE 109 N -0.92 -0.27 -0.68 0.92 3.57 -1.88 0.20 116.94 117.87 1iul h PHE 109 Ca -0.09 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1iul h PHE 109 Cb 0.71 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1iul h PHE 109 CO -0.03 -0.22 0.34 0.93 -2.23 0.00 0.00 178.31 177.11 1iul h GLU 110 N -0.01 0.97 -0.07 1.11 5.08 -1.03 -1.92 114.58 118.72 1iul h GLU 110 Ca 0.24 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1iul h GLU 110 Cb 0.36 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1iul h GLU 110 CO -0.51 0.76 0.04 -0.22 -1.00 0.00 0.00 179.01 178.08 1iul h LYS 111 N 0.94 0.10 -0.88 2.33 1.63 -0.07 -0.65 116.57 119.97 1iul h LYS 111 Ca 0.24 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.12 1iul h LYS 111 Cb 0.09 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.63 1iul h LYS 111 CO -0.03 0.13 0.52 0.00 -3.45 0.00 0.00 179.45 176.62 1iul h ALA 112 N 0.97 1.27 -0.28 5.00 0.00 -0.81 0.17 119.26 125.57 1iul h ALA 112 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1iul h ALA 112 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1iul h ALA 112 CO -0.00 0.17 0.01 -0.07 0.00 0.00 0.00 179.25 179.35 1iul h LEU 113 N 0.88 0.48 -0.94 0.00 3.38 -1.04 -2.07 115.31 116.00 1iul h LEU 113 Ca 0.42 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1iul h LEU 113 Cb 0.36 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1iul h LEU 113 CO -0.24 0.66 0.27 0.50 0.09 0.00 0.00 178.44 179.72 1iul h LYS 114 N 0.29 1.03 0.00 1.13 1.63 -0.36 -0.44 116.57 119.86 1iul h LYS 114 Ca 0.08 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.63 1iul h LYS 114 Cb 0.40 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1iul h LYS 114 CO 0.01 0.85 -0.33 0.93 -3.45 0.00 0.00 179.45 177.46 1iul h GLU 115 N 1.01 0.00 -0.00 1.90 5.08 -0.58 -1.11 114.58 120.88 1iul h GLU 115 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1iul h GLU 115 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1iul h GLU 115 CO -0.02 0.33 -0.02 0.00 -1.00 0.00 0.00 179.01 178.30 1iul n ALA 116 N -2.41 2.40 -0.57 3.43 0.00 -0.72 -4.91 120.51 117.73 1iul n ALA 116 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1iul n ALA 116 Cb 0.39 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1iul n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iul n GLY 117 N 1.48 0.68 3.66 0.00 0.00 -0.42 -5.05 105.19 105.54 1iul n GLY 117 Ca 0.07 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1iul n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iul s ILE 118 N -2.00 5.23 0.49 -0.61 1.01 -0.25 -4.99 121.20 120.07 1iul s ILE 118 Ca 0.00 0.58 -0.24 0.00 0.00 0.00 0.00 60.65 60.99 1iul s ILE 118 Cb 0.00 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.73 1iul s ILE 118 CO 0.00 0.25 1.37 -2.84 0.00 0.00 0.00 174.94 173.72 1iul s PRO 119 N 1.41 3.46 -0.01 2.79 0.02 -1.26 -3.87 135.00 137.55 1iul s PRO 119 Ca 0.16 2.27 0.02 0.00 0.02 0.00 0.00 61.00 63.47 1iul s PRO 119 Cb -0.15 -2.46 -0.00 0.00 0.02 0.00 0.00 34.50 31.91 1iul s PRO 119 CO 0.08 -0.94 -0.07 0.08 -0.33 0.00 0.00 177.00 175.81 1iul s VAL 120 N -1.28 0.60 -0.09 3.83 1.01 -1.26 -1.34 120.40 121.87 1iul s VAL 120 Ca 0.66 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1iul s VAL 120 Cb -0.41 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1iul s VAL 120 CO 0.50 0.17 -0.06 -0.69 0.00 0.00 0.00 175.10 175.02 1iul s VAL 121 N -0.11 0.84 0.25 2.92 1.01 -0.38 -4.98 120.40 119.94 1iul s VAL 121 Ca 0.02 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1iul s VAL 121 Cb -0.04 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1iul s VAL 121 CO -0.00 0.32 -0.07 0.00 0.00 0.00 0.00 175.10 175.35 1iul s ALA 122 N 1.48 2.15 -1.22 5.51 0.00 -1.26 0.73 121.76 129.14 1iul s ALA 122 Ca -0.00 -1.80 -0.17 0.00 0.00 0.00 0.00 51.96 49.98 1iul s ALA 122 Cb -0.13 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1iul s ALA 122 CO -0.04 -0.06 0.67 -3.47 0.00 0.00 0.00 175.76 172.86 1iul n ASP 123 N -0.49 -3.75 -3.64 0.00 4.64 -0.35 -4.89 116.55 108.07 1iul n ASP 123 Ca -0.06 -1.05 -0.15 0.00 -1.38 0.00 0.00 54.79 52.15 1iul n ASP 123 Cb 0.63 -3.07 -0.08 0.00 -1.04 0.00 0.00 41.12 37.56 1iul n ASP 123 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1iul s ARG 124 N -6.33 0.82 -0.21 -0.67 0.52 -1.05 -4.76 118.95 107.28 1iul s ARG 124 Ca 0.34 0.35 -0.14 0.00 -0.52 0.00 0.00 55.73 55.76 1iul s ARG 124 Cb -0.13 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 1iul s ARG 124 CO 0.88 -0.20 0.31 0.00 0.02 0.00 0.00 175.30 176.31 1iul h LEU 126 N 7.51 0.31 -0.10 0.00 5.85 -1.98 -0.29 115.31 126.61 1iul h LEU 126 Ca -0.37 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1iul h LEU 126 Cb 1.16 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1iul h LEU 126 CO 0.70 0.25 -0.16 -0.03 -0.34 0.00 0.00 178.44 178.86 1iul h MET 127 N 0.36 0.29 -0.47 1.25 4.05 -1.93 -1.01 114.93 117.48 1iul h MET 127 Ca 0.10 -0.18 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1iul h MET 127 Cb 0.00 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1iul h MET 127 CO -0.02 0.75 0.24 0.28 0.23 0.00 0.00 176.91 178.40 1iul h VAL 128 N -0.14 1.18 -0.15 -5.77 2.07 -1.87 -0.93 116.25 110.63 1iul h VAL 128 Ca 0.01 -0.48 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 1iul h VAL 128 Cb 0.73 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1iul h VAL 128 CO 0.04 0.19 -0.49 -0.33 0.02 0.00 0.00 177.57 176.99 1iul h GLU 129 N 0.61 0.40 -0.36 1.57 4.39 -1.11 -1.25 114.58 118.84 1iul h GLU 129 Ca 0.16 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 1iul h GLU 129 Cb 0.09 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1iul h GLU 129 CO -0.02 0.81 -0.07 1.25 -1.16 0.00 0.00 179.01 179.82 1iul h HIS 130 N 0.32 0.76 -0.08 4.33 2.76 -0.99 -1.43 115.15 120.82 1iul h HIS 130 Ca 0.01 -0.16 0.02 0.00 -2.20 0.00 0.00 60.37 58.05 1iul h HIS 130 Cb 0.99 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 1iul h HIS 130 CO 0.03 0.82 -0.05 0.87 -1.30 0.00 0.00 177.93 178.30 1iul h LYS 131 N 0.48 -0.05 0.62 5.26 1.57 -1.03 -1.26 116.57 122.15 1iul h LYS 131 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1iul h LYS 131 Cb 0.57 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1iul h LYS 131 CO 0.03 -0.03 -0.51 -0.09 -0.57 0.00 0.00 179.45 178.28 1iul h ARG 132 N -0.05 -1.06 -0.33 3.15 2.43 -1.09 -3.20 114.38 114.24 1iul h ARG 132 Ca 0.05 0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1iul h ARG 132 Cb 0.12 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1iul h ARG 132 CO -0.11 -0.70 0.08 -0.07 -1.51 0.00 0.00 179.97 177.66 1iul h LEU 133 N -1.10 0.43 -1.22 3.80 3.38 -1.23 -3.51 115.31 115.87 1iul h LEU 133 Ca -0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1iul h LEU 133 Cb 0.92 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1iul h LEU 133 CO 0.00 0.44 0.00 0.49 0.09 0.00 0.00 178.44 179.46