#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhb n GLN 3 N 0.00 -2.90 0.28 0.00 0.00 -1.26 -3.16 117.38 110.34 1jhb n GLN 3 Ca 0.00 2.27 0.18 0.00 -0.00 0.00 0.00 57.00 59.45 1jhb n GLN 3 Cb 0.00 -3.48 0.84 0.00 0.00 0.00 0.00 30.24 27.59 1jhb n GLN 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1jhb h GLU 4 N -1.39 0.00 -0.65 3.69 4.81 -2.03 -2.26 114.58 116.75 1jhb h GLU 4 Ca -0.13 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1jhb h GLU 4 Cb 1.29 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.55 1jhb h GLU 4 CO 0.06 0.00 -0.16 0.35 -0.73 0.00 0.00 179.01 178.53 1jhb h PHE 5 N 0.00 -0.34 0.15 0.92 3.04 -1.99 -0.21 116.94 118.51 1jhb h PHE 5 Ca 0.00 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1jhb h PHE 5 Cb 0.30 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1jhb h PHE 5 CO 0.00 -0.28 -0.07 0.28 -2.02 0.00 0.00 178.31 176.22 1jhb h VAL 6 N 0.00 0.98 0.53 1.41 2.07 -1.37 -3.22 116.25 116.66 1jhb h VAL 6 Ca 0.31 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1jhb h VAL 6 Cb 0.48 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1jhb h VAL 6 CO -0.66 0.22 -0.29 0.78 0.02 0.00 0.00 177.57 177.64 1jhb h ASN 7 N -0.73 -0.69 0.58 0.57 -0.26 -1.09 -2.60 115.58 111.36 1jhb h ASN 7 Ca -0.02 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1jhb h ASN 7 Cb 0.52 0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 1jhb h ASN 7 CO 0.03 -0.47 -0.09 0.00 -1.06 0.00 0.00 177.43 175.85 1jhb h LYS 9 N 0.20 0.00 -6.29 0.00 1.79 -1.47 -3.44 116.57 107.36 1jhb h LYS 9 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1jhb h LYS 9 Cb 0.38 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1jhb h LYS 9 CO 0.00 0.08 -0.29 0.42 -1.08 0.00 0.00 179.45 178.58 1jhb s ILE 10 N -4.04 5.16 0.06 1.86 1.01 -1.09 -5.04 121.20 119.12 1jhb s ILE 10 Ca -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1jhb s ILE 10 Cb 0.12 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1jhb s ILE 10 CO 0.55 -0.22 -0.08 -1.10 0.00 0.00 0.00 174.94 174.09 1jhb s GLN 11 N -3.42 0.62 -1.54 2.79 -0.21 -1.26 -5.03 119.66 111.60 1jhb s GLN 11 Ca 0.40 -0.90 -0.11 0.00 0.02 0.00 0.00 55.36 54.76 1jhb s GLN 11 Cb -0.11 -0.30 -0.02 0.00 1.00 0.00 0.00 33.01 33.57 1jhb s GLN 11 CO 0.29 0.04 2.64 -0.35 -2.12 0.00 0.00 175.29 175.80 1jhb n PRO 12 N 1.10 3.44 0.00 2.91 -0.04 -1.26 -2.93 135.00 138.22 1jhb n PRO 12 Ca -0.20 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 1jhb n PRO 12 Cb 0.56 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 1jhb n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jhb n GLY 13 N 3.65 0.00 3.35 0.55 0.00 -1.26 -4.90 105.19 106.58 1jhb n GLY 13 Ca 0.67 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.51 1jhb n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jhb s LYS 14 N 0.00 1.56 -0.27 1.61 1.02 -1.15 -4.94 119.74 117.57 1jhb s LYS 14 Ca 0.00 -1.88 -0.00 0.00 0.02 0.00 0.00 55.97 54.11 1jhb s LYS 14 Cb 0.00 -0.24 0.05 0.00 -0.52 0.00 0.00 37.83 37.12 1jhb s LYS 14 CO 0.00 -0.38 -0.06 0.08 -0.92 0.00 0.00 175.35 174.07 1jhb s VAL 15 N -3.61 2.66 -0.14 3.17 1.01 0.00 -0.63 120.40 122.87 1jhb s VAL 15 Ca 0.35 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1jhb s VAL 15 Cb 0.06 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.99 1jhb s VAL 15 CO 0.16 0.01 -0.02 -0.69 0.00 0.00 0.00 175.10 174.56 1jhb s VAL 16 N 1.22 0.74 -0.10 2.92 1.01 0.31 -0.38 120.40 126.12 1jhb s VAL 16 Ca -0.05 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1jhb s VAL 16 Cb -0.19 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1jhb s VAL 16 CO -0.04 0.11 -0.23 -0.69 0.00 0.00 0.00 175.10 174.26 1jhb s VAL 17 N 1.80 1.99 -0.22 2.92 1.01 -0.29 -0.53 120.40 127.08 1jhb s VAL 17 Ca 0.02 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 1jhb s VAL 17 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1jhb s VAL 17 CO -0.07 0.54 0.31 -0.36 0.00 0.00 0.00 175.10 175.52 1jhb s PHE 18 N 0.35 3.35 0.18 5.22 0.08 -1.15 -0.41 117.98 125.60 1jhb s PHE 18 Ca -0.18 0.47 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 1jhb s PHE 18 Cb -0.18 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 1jhb s PHE 18 CO 0.08 0.02 0.13 0.96 -0.10 0.00 0.00 175.22 176.31 1jhb s ILE 19 N 1.22 0.03 0.08 0.64 -5.25 -0.25 -3.07 121.20 114.60 1jhb s ILE 19 Ca 0.15 -1.93 0.08 0.00 -0.99 0.00 0.00 60.65 57.96 1jhb s ILE 19 Cb -0.14 -2.33 -0.03 0.00 2.95 0.00 0.00 42.46 42.90 1jhb s ILE 19 CO 0.07 -0.14 -0.20 -1.59 -1.79 0.00 0.00 174.94 171.28 1jhb s LYS 20 N -4.12 1.17 0.15 0.37 -2.85 -1.26 -0.22 119.74 112.98 1jhb s LYS 20 Ca 0.33 -1.07 -0.09 0.00 -1.00 0.00 0.00 55.97 54.14 1jhb s LYS 20 Cb 0.07 -1.36 -0.01 0.00 -2.06 0.00 0.00 37.83 34.47 1jhb s LYS 20 CO 0.09 0.33 1.47 -1.00 0.10 0.00 0.00 175.35 176.34 1jhb h PRO 21 N 4.34 0.84 -1.99 1.78 0.13 -1.99 -3.24 132.00 131.88 1jhb h PRO 21 Ca -0.44 -0.47 -0.22 0.00 -0.87 0.00 0.00 66.00 63.99 1jhb h PRO 21 Cb 1.18 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1jhb h PRO 21 CO 0.41 1.11 -0.20 0.25 -0.23 0.00 0.00 178.00 179.34 1jhb n THR 22 N -4.03 2.92 -3.74 1.56 -2.24 -1.26 -4.72 114.28 102.77 1jhb n THR 22 Ca -0.03 -1.61 -0.16 0.00 -2.27 0.00 0.00 64.05 59.98 1jhb n THR 22 Cb 0.57 -1.86 -0.16 0.00 -2.10 0.00 0.00 70.33 66.78 1jhb n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jhb h PRO 24 N 7.62 0.00 -0.08 0.00 0.13 -1.90 -2.86 132.00 134.92 1jhb h PRO 24 Ca -0.36 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.59 1jhb h PRO 24 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1jhb h PRO 24 CO 0.37 0.00 -0.74 1.88 -0.23 0.00 0.00 178.00 179.28 1jhb h TYR 25 N 0.00 0.57 -0.61 1.56 0.05 -1.96 -1.33 116.97 115.26 1jhb h TYR 25 Ca 0.00 -0.26 -0.10 0.00 0.05 0.00 0.00 58.73 58.42 1jhb h TYR 25 Cb 0.91 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.54 1jhb h TYR 25 CO 0.00 1.02 -0.01 0.00 -1.05 0.00 0.00 178.16 178.12 1jhb h ARG 27 N 0.98 -0.34 0.28 0.00 3.08 -1.38 -1.13 114.38 115.86 1jhb h ARG 27 Ca 0.17 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1jhb h ARG 27 Cb 0.57 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1jhb h ARG 27 CO 0.03 -0.23 -0.49 -0.09 -1.07 0.00 0.00 179.97 178.13 1jhb h ARG 28 N -0.35 -0.80 -0.86 0.04 9.65 -0.86 -2.75 114.38 118.45 1jhb h ARG 28 Ca 0.09 0.05 0.10 0.00 -1.10 0.00 0.00 59.98 59.12 1jhb h ARG 28 Cb 0.48 0.18 -0.08 0.00 -1.39 0.00 0.00 29.97 29.17 1jhb h ARG 28 CO -0.28 -0.53 0.51 0.00 2.80 0.00 0.00 179.97 182.46 1jhb h ALA 29 N -0.56 1.25 -0.28 2.80 0.00 -0.55 0.93 119.26 122.85 1jhb h ALA 29 Ca -0.02 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1jhb h ALA 29 Cb 0.78 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1jhb h ALA 29 CO -0.18 0.13 -0.04 1.96 0.00 0.00 0.00 179.25 181.12 1jhb h GLN 30 N 0.84 0.04 0.00 0.00 7.50 -1.07 0.19 115.11 122.61 1jhb h GLN 30 Ca 0.42 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.57 1jhb h GLN 30 Cb 0.39 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.91 1jhb h GLN 30 CO -0.25 0.02 -0.00 1.49 -1.50 0.00 0.00 178.83 178.59 1jhb h GLU 31 N 0.04 -0.00 -0.44 1.46 4.22 -0.89 0.13 114.58 119.08 1jhb h GLU 31 Ca 0.13 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.65 1jhb h GLU 31 Cb 0.19 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 1jhb h GLU 31 CO -0.26 0.42 -0.42 0.82 -2.18 0.00 0.00 179.01 177.39 1jhb h ILE 32 N -0.43 0.12 -0.19 2.32 2.04 -0.86 -1.17 117.51 119.34 1jhb h ILE 32 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1jhb h ILE 32 Cb 0.42 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1jhb h ILE 32 CO 0.00 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.06 1jhb h LEU 33 N -0.30 0.34 -1.87 1.44 3.38 -0.49 -2.88 115.31 114.94 1jhb h LEU 33 Ca 0.15 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1jhb h LEU 33 Cb 0.58 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1jhb h LEU 33 CO -0.60 0.59 0.00 0.28 0.09 0.00 0.00 178.44 178.81 1jhb h SER 34 N 0.09 0.00 0.86 -0.43 0.02 -0.37 -2.60 113.55 111.12 1jhb h SER 34 Ca 0.05 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 1jhb h SER 34 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1jhb h SER 34 CO 0.01 0.00 -0.49 1.56 -1.14 0.00 0.00 176.83 176.77 1jhb h GLN 35 N 0.00 0.00 -6.68 3.45 4.20 -0.99 -3.42 115.11 111.68 1jhb h GLN 35 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1jhb h GLN 35 Cb 0.26 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.06 1jhb h GLN 35 CO 0.00 0.49 0.56 -0.51 -0.67 0.00 0.00 178.83 178.70 1jhb s LEU 36 N -7.13 4.45 -1.51 1.46 1.43 -0.98 -4.91 118.68 111.49 1jhb s LEU 36 Ca 0.00 2.25 -0.10 0.00 -1.03 0.00 0.00 54.13 55.25 1jhb s LEU 36 Cb 0.11 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 1jhb s LEU 36 CO 0.72 -0.36 2.61 -0.81 0.23 0.00 0.00 176.35 178.74 1jhb n PRO 37 N 2.39 3.62 -1.98 1.29 -0.04 -1.26 -4.96 135.00 134.05 1jhb n PRO 37 Ca 0.04 -2.59 -0.37 0.00 -0.04 0.00 0.00 63.50 60.54 1jhb n PRO 37 Cb 0.45 -2.91 0.03 0.00 -0.04 0.00 0.00 33.50 31.02 1jhb n PRO 37 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jhb s ILE 38 N 1.80 2.53 -0.15 0.52 1.09 -1.26 -3.26 121.20 122.47 1jhb s ILE 38 Ca 0.59 0.37 -0.40 0.00 -1.10 0.00 0.00 60.65 60.12 1jhb s ILE 38 Cb 0.16 -3.17 -0.17 0.00 -1.06 0.00 0.00 42.46 38.22 1jhb s ILE 38 CO -0.07 -0.03 1.52 0.29 -0.10 0.00 0.00 174.94 176.55 1jhb n LYS 39 N -1.11 0.92 -1.70 2.79 4.76 0.62 -4.80 118.16 119.63 1jhb n LYS 39 Ca 0.11 0.33 -0.43 0.00 -2.87 0.00 0.00 58.31 55.45 1jhb n LYS 39 Cb 0.47 -1.97 -0.03 0.00 -1.84 0.00 0.00 35.03 31.66 1jhb n LYS 39 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1jhb n GLN 40 N 3.85 2.60 -0.35 1.97 -0.06 -1.26 -1.48 117.38 122.66 1jhb n GLN 40 Ca 0.23 0.94 0.00 0.00 -2.00 0.00 0.00 57.00 56.17 1jhb n GLN 40 Cb 0.13 -2.77 0.00 0.00 -4.06 0.00 0.00 30.24 23.54 1jhb n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jhb n GLY 41 N 3.85 0.99 0.08 1.69 0.00 -1.26 -4.92 105.19 105.61 1jhb n GLY 41 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 1jhb n GLY 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jhb h LEU 42 N 0.00 0.09 -8.86 0.99 3.38 -1.61 -3.45 115.31 105.85 1jhb h LEU 42 Ca 0.00 -0.09 -0.61 0.00 0.09 0.00 0.00 57.88 57.27 1jhb h LEU 42 Cb 0.00 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.61 1jhb h LEU 42 CO 0.00 1.01 0.31 -0.22 0.09 0.00 0.00 178.44 179.63 1jhb s LEU 43 N -6.95 4.13 -0.06 1.67 1.98 -1.26 -0.82 118.68 117.37 1jhb s LEU 43 Ca -0.00 0.46 0.05 0.00 -2.89 0.00 0.00 54.13 51.74 1jhb s LEU 43 Cb 0.10 -2.97 -0.00 0.00 0.66 0.00 0.00 46.19 43.97 1jhb s LEU 43 CO 0.82 -0.62 -0.20 -0.70 -1.89 0.00 0.00 176.35 173.76 1jhb s GLU 44 N 2.90 2.26 -0.07 1.98 2.12 0.48 -4.98 118.70 123.38 1jhb s GLU 44 Ca 0.30 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.90 1jhb s GLU 44 Cb -0.14 -1.87 -0.03 0.00 0.26 0.00 0.00 34.13 32.35 1jhb s GLU 44 CO 0.14 0.25 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.97 1jhb s PHE 45 N 0.11 2.93 -0.21 5.30 0.08 -1.26 -1.13 117.98 123.80 1jhb s PHE 45 Ca -0.08 -0.02 -0.03 0.00 0.12 0.00 0.00 56.93 56.92 1jhb s PHE 45 Cb -0.14 -1.73 0.07 0.00 -0.57 0.00 0.00 43.02 40.65 1jhb s PHE 45 CO 0.04 0.29 0.05 0.08 -0.10 0.00 0.00 175.22 175.58 1jhb s VAL 46 N -0.70 0.44 0.02 -0.44 1.01 0.45 -4.94 120.40 116.24 1jhb s VAL 46 Ca 0.11 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 1jhb s VAL 46 Cb -0.11 -1.02 -0.07 0.00 0.00 0.00 0.00 36.38 35.17 1jhb s VAL 46 CO 0.02 -0.29 1.68 -0.62 0.00 0.00 0.00 175.10 175.88 1jhb s ASP 47 N 1.89 6.62 0.48 3.32 -1.08 -1.26 -1.09 116.67 125.55 1jhb s ASP 47 Ca 0.01 2.40 0.27 0.00 -0.52 0.00 0.00 52.55 54.72 1jhb s ASP 47 Cb -0.17 -2.55 0.82 0.00 -1.46 0.00 0.00 42.92 39.56 1jhb s ASP 47 CO -0.11 -0.91 1.78 0.16 0.52 0.00 0.00 175.17 176.61 1jhb h ILE 48 N 5.17 0.07 -0.01 4.11 3.07 -0.98 -3.19 117.51 125.76 1jhb h ILE 48 Ca -0.42 -0.84 0.00 0.00 1.55 0.00 0.00 64.86 65.15 1jhb h ILE 48 Cb 1.20 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 39.53 1jhb h ILE 48 CO 0.94 0.03 -0.12 0.35 -1.05 0.00 0.00 178.15 178.30 1jhb n THR 49 N -3.12 0.00 0.06 0.16 -2.24 -1.26 -2.70 114.28 105.18 1jhb n THR 49 Ca 0.02 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 1jhb n THR 49 Cb 0.43 0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.85 1jhb n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jhb h ALA 50 N 3.92 -0.79 -0.03 6.98 0.00 -1.94 -3.45 119.26 123.94 1jhb h ALA 50 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jhb h ALA 50 Cb 0.44 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jhb h ALA 50 CO 0.00 -1.03 0.00 -2.37 0.00 0.00 0.00 179.25 175.85 1jhb n THR 51 N -5.46 0.00 0.00 0.00 5.66 -1.26 -5.10 114.28 108.11 1jhb n THR 51 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1jhb n THR 51 Cb 0.39 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 1jhb n THR 51 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1jhb n ASN 52 N -2.48 0.00 -3.15 1.09 5.15 -1.26 -4.61 115.26 110.00 1jhb n ASN 52 Ca 0.00 0.13 0.04 0.00 -0.60 0.00 0.00 54.58 54.15 1jhb n ASN 52 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1jhb n ASN 52 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1jhb s HIS 53 N -0.37 -1.48 0.07 1.20 3.76 -1.26 -5.06 115.29 112.16 1jhb s HIS 53 Ca 0.00 0.86 -0.26 0.00 -0.15 0.00 0.00 55.06 55.51 1jhb s HIS 53 Cb 0.00 0.25 -0.12 0.00 1.11 0.00 0.00 32.58 33.83 1jhb s HIS 53 CO 0.00 -0.86 1.41 0.00 -0.85 0.00 0.00 174.74 174.44 1jhb h THR 54 N 5.57 0.00 0.00 1.30 1.03 -1.76 -0.81 112.91 118.24 1jhb h THR 54 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1jhb h THR 54 Cb 1.19 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1jhb h THR 54 CO 0.08 0.00 0.00 -3.20 -0.01 0.00 0.00 175.52 172.39 1jhb n ASN 55 N -4.69 0.00 0.01 0.00 5.15 -1.26 -0.08 115.26 114.39 1jhb n ASN 55 Ca -0.07 0.32 -0.16 0.00 -0.60 0.00 0.00 54.58 54.06 1jhb n ASN 55 Cb 0.32 -0.37 -0.14 0.00 -0.53 0.00 0.00 39.78 39.06 1jhb n ASN 55 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1jhb h GLU 56 N 0.00 0.19 0.00 1.20 4.11 -1.80 -3.36 114.58 114.91 1jhb h GLU 56 Ca 0.00 -0.32 -0.00 0.00 0.07 0.00 0.00 59.36 59.11 1jhb h GLU 56 Cb 0.07 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1jhb h GLU 56 CO 0.00 0.98 -0.00 0.82 0.07 0.00 0.00 179.01 180.88 1jhb h ILE 57 N 0.05 1.45 -0.66 -1.06 2.04 0.94 0.59 117.51 120.86 1jhb h ILE 57 Ca -0.34 -1.33 0.08 0.00 1.00 0.00 0.00 64.86 64.27 1jhb h ILE 57 Cb 2.03 2.35 -0.06 0.00 -0.74 0.00 0.00 36.82 40.39 1jhb h ILE 57 CO 0.11 0.34 0.32 0.06 0.00 0.00 0.00 178.15 178.98 1jhb h GLN 58 N -0.57 0.56 0.31 2.37 -0.00 -1.44 -1.39 115.11 114.95 1jhb h GLN 58 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1jhb h GLN 58 Cb 0.57 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.48 27.89 1jhb h GLN 58 CO 0.00 0.37 -0.37 0.22 -0.00 0.00 0.00 178.83 179.05 1jhb h ASP 59 N 0.57 -1.02 -0.31 0.06 1.82 -1.68 -2.64 116.42 113.23 1jhb h ASP 59 Ca 0.31 0.09 0.09 0.00 -0.39 0.00 0.00 57.03 57.14 1jhb h ASP 59 Cb 0.29 0.35 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 1jhb h ASP 59 CO -0.24 -0.50 0.23 0.22 -1.61 0.00 0.00 179.24 177.34 1jhb h TYR 60 N -0.73 0.00 -0.04 0.28 5.03 -0.51 -0.02 116.97 120.99 1jhb h TYR 60 Ca -0.02 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 1jhb h TYR 60 Cb 0.67 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.95 1jhb h TYR 60 CO -0.23 0.00 0.00 -0.07 -1.32 0.00 0.00 178.16 176.54 1jhb h LEU 61 N 0.00 0.05 -1.28 2.82 3.38 -0.87 0.60 115.31 120.01 1jhb h LEU 61 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1jhb h LEU 61 Cb 0.60 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1jhb h LEU 61 CO -0.00 0.06 0.45 -0.61 0.09 0.00 0.00 178.44 178.42 1jhb h GLN 62 N 0.06 0.93 0.00 1.13 4.15 -0.48 0.56 115.11 121.46 1jhb h GLN 62 Ca 0.01 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1jhb h GLN 62 Cb 0.04 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1jhb h GLN 62 CO 0.00 0.63 -0.06 0.37 -1.93 0.00 0.00 178.83 177.84 1jhb h GLN 63 N 0.95 0.04 0.00 1.69 5.75 -1.37 -2.71 115.11 119.47 1jhb h GLN 63 Ca 0.25 -0.04 -0.18 0.00 -0.15 0.00 0.00 58.65 58.53 1jhb h GLN 63 Cb -0.08 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1jhb h GLN 63 CO -0.05 0.84 -0.83 1.25 -2.65 0.00 0.00 178.83 177.38 1jhb h LEU 64 N -0.74 0.04 0.00 -2.39 5.85 -0.65 -3.41 115.31 114.01 1jhb h LEU 64 Ca -0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1jhb h LEU 64 Cb 0.86 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1jhb h LEU 64 CO 0.01 0.85 0.00 0.35 -0.34 0.00 0.00 178.44 179.31 1jhb n THR 65 N -3.58 0.89 0.00 1.05 -2.24 0.11 -5.06 114.28 105.45 1jhb n THR 65 Ca -0.01 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1jhb n THR 65 Cb 0.79 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1jhb n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jhb n GLY 66 N 3.42 0.74 3.42 3.38 0.00 -0.74 -5.00 105.19 110.41 1jhb n GLY 66 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1jhb n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhb s ALA 67 N 0.00 2.49 -1.45 4.61 0.00 -1.24 -4.62 121.76 121.55 1jhb s ALA 67 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1jhb s ALA 67 Cb 0.00 -0.66 0.13 0.00 0.00 0.00 0.00 23.12 22.59 1jhb s ALA 67 CO 0.00 0.56 0.91 2.89 0.00 0.00 0.00 175.76 180.12 1jhb n ARG 68 N 1.62 1.50 -3.88 0.00 1.85 -1.26 -2.17 116.66 114.32 1jhb n ARG 68 Ca -0.16 -0.52 -0.21 0.00 -1.00 0.00 0.00 57.85 55.96 1jhb n ARG 68 Cb 0.52 -1.36 -0.04 0.00 -1.05 0.00 0.00 32.46 30.53 1jhb n ARG 68 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1jhb s THR 69 N -1.58 3.79 0.01 8.89 -4.23 -1.26 -4.21 115.64 117.06 1jhb s THR 69 Ca 0.09 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1jhb s THR 69 Cb 0.06 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 70.64 1jhb s THR 69 CO 0.04 -0.22 -0.05 0.68 -0.54 0.00 0.00 174.62 174.54 1jhb s VAL 70 N -2.26 0.36 0.68 2.29 -7.23 -1.26 -4.25 120.40 108.74 1jhb s VAL 70 Ca 0.39 -0.55 -0.15 0.00 -1.81 0.00 0.00 61.98 59.87 1jhb s VAL 70 Cb -0.06 -0.38 0.01 0.00 0.56 0.00 0.00 36.38 36.51 1jhb s VAL 70 CO 0.26 -0.13 1.12 -2.16 -0.31 0.00 0.00 175.10 173.88 1jhb s PRO 71 N -0.73 2.64 -0.10 4.82 0.04 -1.26 -4.75 135.00 135.65 1jhb s PRO 71 Ca -0.04 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.37 1jhb s PRO 71 Cb -0.05 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1jhb s PRO 71 CO -0.00 -1.38 0.24 0.50 0.04 0.00 0.00 177.00 176.40 1jhb s ARG 72 N -4.14 0.20 -0.18 4.56 3.00 -1.18 -3.56 118.95 117.66 1jhb s ARG 72 Ca 0.67 0.52 -0.05 0.00 -1.00 0.00 0.00 55.73 55.87 1jhb s ARG 72 Cb -0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 34.95 34.59 1jhb s ARG 72 CO 0.43 -0.16 0.01 0.08 0.00 0.00 0.00 175.30 175.66 1jhb s VAL 73 N 1.23 4.20 -0.20 7.11 1.01 -1.08 -2.93 120.40 129.74 1jhb s VAL 73 Ca -0.09 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1jhb s VAL 73 Cb -0.10 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1jhb s VAL 73 CO -0.08 0.46 0.41 -0.36 0.00 0.00 0.00 175.10 175.52 1jhb s PHE 74 N 0.58 3.37 -0.34 5.22 0.08 0.31 -2.31 117.98 124.89 1jhb s PHE 74 Ca -0.00 0.62 -0.10 0.00 0.12 0.00 0.00 56.93 57.56 1jhb s PHE 74 Cb -0.14 -2.54 0.01 0.00 -0.57 0.00 0.00 43.02 39.78 1jhb s PHE 74 CO 0.02 -0.03 0.18 0.42 -0.10 0.00 0.00 175.22 175.71 1jhb s ILE 75 N 1.36 4.60 -1.15 0.64 1.09 0.26 -0.53 121.20 127.48 1jhb s ILE 75 Ca 0.19 -0.61 -0.12 0.00 -1.10 0.00 0.00 60.65 59.01 1jhb s ILE 75 Cb -0.15 -3.45 -0.03 0.00 -1.06 0.00 0.00 42.46 37.78 1jhb s ILE 75 CO 0.08 -0.07 0.81 0.61 -0.10 0.00 0.00 174.94 176.27 1jhb n GLY 76 N 4.99 -0.89 2.55 6.18 0.00 0.20 -1.41 105.19 116.82 1jhb n GLY 76 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1jhb n GLY 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jhb n LYS 77 N -3.92 -0.62 -3.68 1.61 4.81 -1.25 -4.60 118.16 110.51 1jhb n LYS 77 Ca -0.13 0.05 -0.36 0.00 -0.87 0.00 0.00 58.31 56.99 1jhb n LYS 77 Cb 0.62 -2.51 -0.06 0.00 0.02 0.00 0.00 35.03 33.11 1jhb n LYS 77 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jhb s ASP 78 N -0.65 6.59 -0.25 3.14 -1.08 -0.50 -4.99 116.67 118.93 1jhb s ASP 78 Ca 0.00 0.70 -0.10 0.00 -0.52 0.00 0.00 52.55 52.63 1jhb s ASP 78 Cb 0.00 -2.15 -0.05 0.00 -1.46 0.00 0.00 42.92 39.27 1jhb s ASP 78 CO 0.00 0.31 0.15 0.00 0.52 0.00 0.00 175.17 176.14 1jhb h ILE 80 N 5.17 0.44 0.00 0.00 -0.00 -1.83 -3.49 117.51 117.80 1jhb h ILE 80 Ca -0.37 -1.67 0.00 0.00 -0.00 0.00 0.00 64.86 62.82 1jhb h ILE 80 Cb 1.18 2.09 0.00 0.00 -0.00 0.00 0.00 36.82 40.09 1jhb h ILE 80 CO 0.62 0.25 0.00 0.61 -0.00 0.00 0.00 178.15 179.63 1jhb n GLY 81 N 1.22 0.62 0.00 0.16 0.00 -1.26 -4.82 105.19 101.11 1jhb n GLY 81 Ca -0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1jhb n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jhb n GLY 82 N 0.00 1.45 0.25 -0.02 0.00 -1.26 -2.62 105.19 102.99 1jhb n GLY 82 Ca 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 1jhb n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhb h SER 84 N 0.45 0.84 0.31 0.00 0.02 -1.95 -0.38 113.55 112.84 1jhb h SER 84 Ca 0.08 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1jhb h SER 84 Cb 0.50 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1jhb h SER 84 CO 0.03 0.72 -0.15 0.44 -1.14 0.00 0.00 176.83 176.73 1jhb h ASP 85 N 0.90 -0.35 -0.99 3.07 3.32 -1.87 -3.13 116.42 117.37 1jhb h ASP 85 Ca 0.23 -0.17 0.18 0.00 0.02 0.00 0.00 57.03 57.29 1jhb h ASP 85 Cb 0.08 0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.62 1jhb h ASP 85 CO -0.03 0.01 0.61 0.25 -1.72 0.00 0.00 179.24 178.36 1jhb h LEU 86 N -0.75 0.76 0.81 1.55 5.85 -0.76 0.63 115.31 123.40 1jhb h LEU 86 Ca -0.04 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1jhb h LEU 86 Cb 0.50 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1jhb h LEU 86 CO 0.07 0.30 -0.47 0.58 -0.34 0.00 0.00 178.44 178.58 1jhb h VAL 87 N 0.75 0.06 -0.36 1.05 2.07 -1.10 0.87 116.25 119.60 1jhb h VAL 87 Ca 0.55 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.14 1jhb h VAL 87 Cb 0.87 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 1jhb h VAL 87 CO -0.33 0.00 -0.33 0.77 0.02 0.00 0.00 177.57 177.69 1jhb h SER 88 N -1.19 -1.10 -0.30 0.57 4.64 -0.93 0.64 113.55 115.88 1jhb h SER 88 Ca -0.11 0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1jhb h SER 88 Cb 0.94 0.50 -0.02 0.00 -0.31 0.00 0.00 62.40 63.52 1jhb h SER 88 CO 0.13 -0.33 0.20 -0.07 -0.87 0.00 0.00 176.83 175.89 1jhb h LEU 89 N -0.28 0.32 0.08 5.97 4.07 -0.89 0.78 115.31 125.35 1jhb h LEU 89 Ca 0.16 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 1jhb h LEU 89 Cb 0.54 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1jhb h LEU 89 CO -0.51 0.23 -0.04 -0.61 -1.08 0.00 0.00 178.44 176.43 1jhb h GLN 90 N 0.38 -0.10 0.46 1.13 4.15 -0.08 0.21 115.11 121.25 1jhb h GLN 90 Ca 0.11 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1jhb h GLN 90 Cb -0.00 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1jhb h GLN 90 CO -0.03 0.42 -0.22 0.37 -1.93 0.00 0.00 178.83 177.45 1jhb h GLN 91 N -0.70 -0.59 0.00 1.69 -0.00 -0.30 -2.80 115.11 112.41 1jhb h GLN 91 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1jhb h GLN 91 Cb 0.57 0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.18 1jhb h GLN 91 CO 0.02 -0.33 0.00 1.03 0.00 0.00 0.00 178.83 179.55 1jhb h SER 92 N -1.09 0.00 0.00 -0.69 0.87 -1.08 -3.47 113.55 108.09 1jhb h SER 92 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1jhb h SER 92 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1jhb h SER 92 CO 0.10 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.01 1jhb n GLY 93 N -0.28 0.51 0.29 5.77 0.00 -0.83 -4.93 105.19 105.72 1jhb n GLY 93 Ca 0.01 -0.36 0.16 0.00 0.00 0.00 0.00 46.02 45.83 1jhb n GLY 93 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jhb h GLU 94 N 0.83 0.00 0.00 1.61 4.81 -1.25 -1.32 114.58 119.25 1jhb h GLU 94 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1jhb h GLU 94 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1jhb h GLU 94 CO 0.00 0.06 -0.11 1.25 -0.73 0.00 0.00 179.01 179.48 1jhb h LEU 95 N 0.00 0.00 0.19 1.64 5.85 -1.00 -2.13 115.31 119.85 1jhb h LEU 95 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jhb h LEU 95 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1jhb h LEU 95 CO 0.01 0.11 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.06 1jhb h LEU 96 N 0.00 -0.21 -0.07 2.25 -0.00 -1.44 0.13 115.31 115.98 1jhb h LEU 96 Ca -0.00 -0.16 0.02 0.00 -0.00 0.00 0.00 57.88 57.74 1jhb h LEU 96 Cb 0.33 0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.01 1jhb h LEU 96 CO 0.01 0.04 -0.08 0.74 -0.00 0.00 0.00 178.44 179.16 1jhb h THR 97 N -0.47 0.78 -0.56 0.22 2.02 -1.66 0.12 112.91 113.36 1jhb h THR 97 Ca -0.03 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.26 1jhb h THR 97 Cb 0.36 0.78 -0.11 0.00 -1.74 0.00 0.00 68.15 67.43 1jhb h THR 97 CO 0.04 0.00 -0.22 -0.09 0.37 0.00 0.00 175.52 175.62 1jhb h ARG 98 N -0.10 -0.08 0.12 6.66 2.43 -1.20 -1.38 114.38 120.83 1jhb h ARG 98 Ca 0.06 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1jhb h ARG 98 Cb 0.18 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1jhb h ARG 98 CO -0.13 -0.05 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.14 1jhb h LEU 99 N -0.08 -0.14 -2.13 3.80 3.38 -0.49 -3.24 115.31 116.40 1jhb h LEU 99 Ca 0.26 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1jhb h LEU 99 Cb 0.48 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jhb h LEU 99 CO -0.62 0.27 -0.07 0.11 0.09 0.00 0.00 178.44 178.23 1jhb h LYS 100 N -0.58 0.00 -0.50 1.13 1.57 -0.37 -0.02 116.57 117.80 1jhb h LYS 100 Ca -0.02 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1jhb h LYS 100 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1jhb h LYS 100 CO 0.03 0.07 0.34 0.37 -0.57 0.00 0.00 179.45 179.68 1jhb h GLN 101 N 0.00 0.36 0.00 3.15 4.15 -1.29 0.05 115.11 121.53 1jhb h GLN 101 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1jhb h GLN 101 Cb 0.16 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1jhb h GLN 101 CO 0.01 0.24 -0.01 0.44 -1.93 0.00 0.00 178.83 177.58 1jhb n ILE 102 N -4.47 0.61 -1.42 2.39 -5.35 -0.03 -4.97 119.36 106.12 1jhb n ILE 102 Ca 0.07 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1jhb n ILE 102 Cb 0.30 -0.58 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 1jhb n ILE 102 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jhb n GLY 103 N 1.30 -1.42 0.63 3.28 0.00 0.00 -4.86 105.19 104.12 1jhb n GLY 103 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1jhb n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhb n ALA 104 N -0.29 2.36 -1.90 4.61 0.00 -1.23 -4.86 120.51 119.20 1jhb n ALA 104 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1jhb n ALA 104 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1jhb n ALA 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jhb s LEU 105 N -3.08 4.40 0.00 0.00 2.01 -1.26 -0.28 118.68 120.47 1jhb s LEU 105 Ca 0.00 2.61 0.16 0.00 0.01 0.00 0.00 54.13 56.91 1jhb s LEU 105 Cb 0.00 -3.62 0.13 0.00 0.01 0.00 0.00 46.19 42.71 1jhb s LEU 105 CO 0.00 -0.65 1.02 1.67 1.01 0.00 0.00 176.35 179.41