#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t17 n HIS 2 N 0.00 1.86 -4.60 2.03 -0.00 -1.22 -4.74 115.22 108.55 1t17 n HIS 2 Ca 0.00 0.73 -0.26 0.00 -0.00 0.00 0.00 57.72 58.19 1t17 n HIS 2 Cb 0.00 -2.38 -0.14 0.00 -0.00 0.00 0.00 29.99 27.47 1t17 n HIS 2 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1t17 s ARG 3 N 3.80 1.40 -0.03 -0.41 3.00 -1.26 -2.93 118.95 122.52 1t17 s ARG 3 Ca 1.03 -1.03 0.04 0.00 -1.00 0.00 0.00 55.73 54.77 1t17 s ARG 3 Cb -1.23 -1.57 -0.00 0.00 0.00 0.00 0.00 34.95 32.15 1t17 s ARG 3 CO 0.70 0.39 -0.14 -1.01 0.00 0.00 0.00 175.30 175.24 1t17 s HIS 4 N -0.89 1.33 0.03 5.12 3.76 0.01 -4.99 115.29 119.66 1t17 s HIS 4 Ca 0.08 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1t17 s HIS 4 Cb -0.09 -0.89 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 1t17 s HIS 4 CO 0.03 -0.09 0.10 0.08 -0.85 0.00 0.00 174.74 174.00 1t17 s VAL 5 N -0.05 4.76 -0.22 -0.90 1.01 -1.26 -1.27 120.40 122.47 1t17 s VAL 5 Ca -0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1t17 s VAL 5 Cb -0.08 -3.23 0.11 0.00 0.00 0.00 0.00 36.38 33.18 1t17 s VAL 5 CO 0.01 0.26 0.32 -0.69 0.00 0.00 0.00 175.10 175.00 1t17 s VAL 6 N -1.29 -0.51 -0.10 2.92 1.01 -0.69 -5.02 120.40 116.73 1t17 s VAL 6 Ca 0.26 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1t17 s VAL 6 Cb -0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1t17 s VAL 6 CO 0.18 -0.12 -0.21 -0.89 0.00 0.00 0.00 175.10 174.06 1t17 s THR 7 N 2.47 2.38 0.12 3.92 2.01 -1.26 -0.37 115.64 124.91 1t17 s THR 7 Ca 0.09 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 1t17 s THR 7 Cb -0.15 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1t17 s THR 7 CO -0.14 0.55 0.02 -1.59 -0.69 0.00 0.00 174.62 172.77 1t17 s LYS 8 N 0.17 0.88 -0.04 4.92 -2.85 -0.58 -5.02 119.74 117.22 1t17 s LYS 8 Ca -0.12 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.45 1t17 s LYS 8 Cb -0.16 0.10 0.03 0.00 -2.06 0.00 0.00 37.83 35.74 1t17 s LYS 8 CO 0.06 -0.18 -0.01 0.54 0.10 0.00 0.00 175.35 175.87 1t17 s VAL 9 N -3.91 0.30 -0.16 1.79 0.11 -1.26 -0.53 120.40 116.73 1t17 s VAL 9 Ca 0.19 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1t17 s VAL 9 Cb 0.07 -0.40 0.03 0.00 -1.53 0.00 0.00 36.38 34.56 1t17 s VAL 9 CO -0.01 0.19 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.10 1t17 s LEU 10 N 1.28 1.75 -1.11 2.54 1.43 -0.19 -4.95 118.68 119.44 1t17 s LEU 10 Ca -0.06 -0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 1t17 s LEU 10 Cb -0.13 -1.06 -0.06 0.00 0.03 0.00 0.00 46.19 44.96 1t17 s LEU 10 CO -0.02 -0.13 2.05 -0.81 0.23 0.00 0.00 176.35 177.67 1t17 n PRO 11 N 4.80 2.16 -2.97 1.29 -0.04 -1.26 -1.67 135.00 137.31 1t17 n PRO 11 Ca -0.14 -2.26 -0.08 0.00 -0.04 0.00 0.00 63.50 60.98 1t17 n PRO 11 Cb 0.48 -3.13 -0.01 0.00 -0.04 0.00 0.00 33.50 30.80 1t17 n PRO 11 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1t17 n TYR 12 N 7.17 -1.32 -1.81 0.54 4.01 -1.26 -4.94 117.16 119.55 1t17 n TYR 12 Ca 0.50 -1.38 -0.31 0.00 -0.16 0.00 0.00 57.90 56.55 1t17 n TYR 12 Cb 0.40 0.42 0.02 0.00 -0.31 0.00 0.00 39.34 39.88 1t17 n TYR 12 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1t17 s THR 13 N -2.60 4.39 -2.00 -0.72 -4.23 -1.26 -4.46 115.64 104.76 1t17 s THR 13 Ca 0.16 0.78 0.22 0.00 -1.18 0.00 0.00 61.69 61.66 1t17 s THR 13 Cb -0.01 -3.71 0.62 0.00 1.34 0.00 0.00 72.50 70.74 1t17 s THR 13 CO 0.11 -1.01 1.71 -0.81 -0.54 0.00 0.00 174.62 174.08 1t17 n PRO 14 N -2.87 0.75 -0.00 3.99 -0.04 -1.26 -3.38 135.00 132.19 1t17 n PRO 14 Ca 0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1t17 n PRO 14 Cb 0.54 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1t17 n PRO 14 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1t17 h ASP 15 N 0.00 0.10 -0.77 3.54 1.82 -2.01 -1.72 116.42 117.38 1t17 h ASP 15 Ca 0.00 -0.05 0.17 0.00 -0.39 0.00 0.00 57.03 56.76 1t17 h ASP 15 Cb 0.00 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 39.93 1t17 h ASP 15 CO 0.00 0.13 0.52 1.56 -1.61 0.00 0.00 179.24 179.83 1t17 h GLN 16 N 0.07 0.32 -0.78 0.28 1.08 -1.97 0.30 115.11 114.41 1t17 h GLN 16 Ca 0.03 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1t17 h GLN 16 Cb 0.04 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.36 1t17 h GLN 16 CO -0.01 0.21 0.34 -0.07 -0.95 0.00 0.00 178.83 178.35 1t17 h LEU 17 N 0.33 1.05 -1.21 1.46 3.38 -1.54 -2.21 115.31 116.58 1t17 h LEU 17 Ca 0.38 -0.15 0.30 0.00 0.09 0.00 0.00 57.88 58.51 1t17 h LEU 17 Cb 1.00 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.36 1t17 h LEU 17 CO -0.11 0.92 0.66 0.15 0.09 0.00 0.00 178.44 180.15 1t17 h PHE 18 N 1.13 0.78 0.00 1.13 3.04 -0.08 1.46 116.94 124.39 1t17 h PHE 18 Ca 0.27 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.12 1t17 h PHE 18 Cb 0.17 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 1t17 h PHE 18 CO 0.02 -0.03 -0.59 0.93 -2.02 0.00 0.00 178.31 176.61 1t17 h GLU 19 N 0.37 0.00 -0.06 1.11 5.08 -1.44 -2.76 114.58 116.88 1t17 h GLU 19 Ca 0.67 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.95 1t17 h GLU 19 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1t17 h GLU 19 CO -0.43 0.59 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.80 1t17 h LEU 20 N 0.00 0.38 -0.88 1.33 3.38 0.20 0.20 115.31 119.92 1t17 h LEU 20 Ca -0.01 -0.65 0.01 0.00 0.09 0.00 0.00 57.88 57.33 1t17 h LEU 20 Cb 1.38 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1t17 h LEU 20 CO 0.08 0.97 0.58 0.58 0.09 0.00 0.00 178.44 180.73 1t17 h VAL 21 N -0.18 1.21 -0.80 1.22 2.07 -0.13 -1.42 116.25 118.21 1t17 h VAL 21 Ca -0.02 -0.40 -0.34 0.00 0.82 0.00 0.00 66.70 66.76 1t17 h VAL 21 Cb 0.96 -0.07 -0.20 0.00 -1.52 0.00 0.00 31.29 30.46 1t17 h VAL 21 CO 0.06 0.21 0.40 0.61 0.02 0.00 0.00 177.57 178.88 1t17 n GLY 22 N -1.34 4.16 0.00 2.17 0.00 -1.04 -4.43 105.19 104.71 1t17 n GLY 22 Ca 0.10 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 45.12 1t17 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t17 n ASP 23 N -0.69 0.00 -0.42 1.61 -0.08 0.70 0.20 116.55 117.86 1t17 n ASP 23 Ca 0.48 0.34 0.09 0.00 -1.51 0.00 0.00 54.79 54.19 1t17 n ASP 23 Cb 1.47 -0.41 0.38 0.00 2.34 0.00 0.00 41.12 44.89 1t17 n ASP 23 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1t17 n VAL 24 N -1.41 0.18 0.00 5.18 0.24 -1.26 -3.01 118.33 118.25 1t17 n VAL 24 Ca 0.04 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1t17 n VAL 24 Cb 0.13 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 1t17 n VAL 24 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1t17 n ASP 25 N 0.07 0.00 -0.06 -1.34 -0.08 -0.22 -4.10 116.55 110.82 1t17 n ASP 25 Ca 0.15 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.39 1t17 n ASP 25 Cb 0.26 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.69 1t17 n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1t17 h ALA 26 N 0.00 0.01 -7.18 -1.67 0.00 0.20 -3.47 119.26 107.15 1t17 h ALA 26 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1t17 h ALA 26 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1t17 h ALA 26 CO 0.00 0.08 -0.21 2.48 0.00 0.00 0.00 179.25 181.60 1t17 n TYR 27 N -4.72 -0.28 -1.10 0.00 0.18 -1.16 -4.62 117.16 105.45 1t17 n TYR 27 Ca -0.04 0.02 -0.33 0.00 1.88 0.00 0.00 57.90 59.43 1t17 n TYR 27 Cb 0.14 -0.57 -0.02 0.00 -0.38 0.00 0.00 39.34 38.51 1t17 n TYR 27 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 1t17 n PRO 28 N -1.79 2.60 0.00 -3.48 -0.04 -1.26 -4.70 135.00 126.33 1t17 n PRO 28 Ca -0.03 -1.89 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1t17 n PRO 28 Cb 0.12 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 1t17 n PRO 28 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1t17 n LYS 29 N 4.66 0.00 -1.86 0.54 4.76 -1.26 -5.10 118.16 119.91 1t17 n LYS 29 Ca 0.57 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.60 1t17 n LYS 29 Cb 0.23 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.42 1t17 n LYS 29 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1t17 s PHE 30 N -2.00 2.66 -0.42 2.13 -0.71 -1.26 -4.99 117.98 113.38 1t17 s PHE 30 Ca 0.00 1.22 0.02 0.00 -1.04 0.00 0.00 56.93 57.13 1t17 s PHE 30 Cb 0.00 -3.95 0.14 0.00 -1.21 0.00 0.00 43.02 37.99 1t17 s PHE 30 CO 0.00 -2.79 0.24 0.14 -1.34 0.00 0.00 175.22 171.47 1t17 s VAL 31 N -1.13 1.06 0.14 -2.49 -7.23 -1.26 -4.96 120.40 104.53 1t17 s VAL 31 Ca 0.53 -2.36 -0.05 0.00 -1.81 0.00 0.00 61.98 58.29 1t17 s VAL 31 Cb -0.45 -1.75 -0.16 0.00 0.56 0.00 0.00 36.38 34.58 1t17 s VAL 31 CO 0.61 -0.93 1.33 1.55 -0.31 0.00 0.00 175.10 177.35 1t17 h PRO 32 N 6.76 0.46 0.00 4.82 0.13 -1.97 -2.87 132.00 139.33 1t17 h PRO 32 Ca 0.02 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1t17 h PRO 32 Cb 0.94 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1t17 h PRO 32 CO 0.42 1.10 0.18 0.11 -0.23 0.00 0.00 178.00 179.58 1t17 h TRP 33 N 0.28 0.00 -3.06 1.56 0.09 -1.93 -3.39 115.95 109.49 1t17 h TRP 33 Ca -0.07 0.00 -0.57 0.00 0.09 0.00 0.00 58.89 58.35 1t17 h TRP 33 Cb 1.50 0.00 -0.13 0.00 0.08 0.00 0.00 29.16 30.61 1t17 h TRP 33 CO 0.06 0.00 -0.49 -1.50 0.09 0.00 0.00 178.44 176.60 1t17 s ILE 34 N -4.05 0.39 0.00 0.12 2.07 -1.08 -4.83 121.20 113.81 1t17 s ILE 34 Ca -0.04 -2.00 0.00 0.00 -1.41 0.00 0.00 60.65 57.20 1t17 s ILE 34 Cb 0.10 -2.31 0.00 0.00 0.13 0.00 0.00 42.46 40.38 1t17 s ILE 34 CO 0.32 0.00 0.00 1.07 -1.91 0.00 0.00 174.94 174.42 1t17 n THR 35 N -0.91 0.00 -3.56 4.00 5.66 -1.24 -4.65 114.28 113.57 1t17 n THR 35 Ca -0.04 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.67 1t17 n THR 35 Cb 0.64 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.38 1t17 n THR 35 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1t17 s GLY 36 N -0.88 2.00 -0.02 1.09 0.00 -1.26 -4.93 107.32 103.32 1t17 s GLY 36 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 44.72 43.83 1t17 s GLY 36 CO 0.00 -0.54 0.60 -3.16 0.00 0.00 0.00 173.10 170.00 1t17 s MET 37 N -3.12 1.02 -0.28 2.90 0.00 -1.25 -0.83 119.30 117.73 1t17 s MET 37 Ca 0.42 0.08 -0.16 0.00 0.00 0.00 0.00 55.69 56.02 1t17 s MET 37 Cb -0.11 0.47 0.10 0.00 0.00 0.00 0.00 34.83 35.29 1t17 s MET 37 CO 0.27 -0.33 0.77 1.03 0.00 0.00 0.00 175.02 176.76 1t17 s ARG 38 N -1.56 0.62 -0.10 3.16 3.00 -0.75 -4.96 118.95 118.35 1t17 s ARG 38 Ca -0.10 1.08 -0.01 0.00 0.00 0.00 0.00 55.73 56.71 1t17 s ARG 38 Cb -0.01 0.14 0.03 0.00 0.00 0.00 0.00 34.95 35.11 1t17 s ARG 38 CO 0.06 -0.13 -0.06 0.95 0.00 0.00 0.00 175.30 176.12 1t17 s THR 39 N 1.60 0.90 0.00 0.02 -4.23 -1.26 -0.53 115.64 112.15 1t17 s THR 39 Ca -0.10 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1t17 s THR 39 Cb -0.05 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1t17 s THR 39 CO -0.19 0.35 0.00 -2.67 -0.54 0.00 0.00 174.62 171.57 1t17 n TRP 40 N 4.95 0.00 -2.41 3.99 2.14 -0.93 -4.99 117.44 120.19 1t17 n TRP 40 Ca -0.12 0.00 -0.05 0.00 2.07 0.00 0.00 57.50 59.41 1t17 n TRP 40 Cb 0.50 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.96 1t17 n TRP 40 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1t17 n ASN 41 N 0.00 -1.04 0.00 -0.67 2.85 -1.26 -1.84 115.26 113.30 1t17 n ASN 41 Ca 0.00 1.12 0.00 0.00 -0.11 0.00 0.00 54.58 55.59 1t17 n ASN 41 Cb 0.00 -4.55 0.00 0.00 1.24 0.00 0.00 39.78 36.47 1t17 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1t17 n GLY 42 N 1.35 -1.03 3.08 8.20 0.00 -1.26 -1.76 105.19 113.78 1t17 n GLY 42 Ca -0.33 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 1t17 n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t17 s ARG 43 N -0.17 0.59 -0.10 1.61 1.70 0.12 -4.98 118.95 117.73 1t17 s ARG 43 Ca 0.00 -1.11 0.01 0.00 -0.47 0.00 0.00 55.73 54.16 1t17 s ARG 43 Cb 0.00 0.09 0.02 0.00 -0.57 0.00 0.00 34.95 34.49 1t17 s ARG 43 CO 0.00 -0.07 -0.11 0.54 -1.08 0.00 0.00 175.30 174.57 1t17 s VAL 44 N -3.31 1.20 -0.02 4.99 0.11 -1.26 -1.20 120.40 120.90 1t17 s VAL 44 Ca 0.03 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 1t17 s VAL 44 Cb 0.03 -1.14 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 1t17 s VAL 44 CO -0.07 0.39 -0.02 -0.62 -3.33 0.00 0.00 175.10 171.45 1t17 s ASP 45 N 1.22 0.50 0.30 3.54 -1.08 -0.40 -5.03 116.67 115.72 1t17 s ASP 45 Ca -0.03 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.94 1t17 s ASP 45 Cb -0.14 -0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.12 1t17 s ASP 45 CO -0.03 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.22 1t17 n GLY 46 N 3.73 2.51 2.10 2.66 0.00 -1.26 0.40 105.19 115.34 1t17 n GLY 46 Ca -0.22 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1t17 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t17 n ALA 47 N 7.44 5.61 -2.84 4.61 0.00 -1.26 -4.88 120.51 129.19 1t17 n ALA 47 Ca 0.00 -2.61 -0.13 0.00 0.00 0.00 0.00 53.44 50.69 1t17 n ALA 47 Cb 0.00 -1.55 -0.12 0.00 0.00 0.00 0.00 19.45 17.78 1t17 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t17 s VAL 48 N -3.48 0.50 -0.06 0.00 1.01 0.16 -0.31 120.40 118.23 1t17 s VAL 48 Ca 0.49 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1t17 s VAL 48 Cb 0.39 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 36.27 1t17 s VAL 48 CO 0.02 -0.28 0.11 -0.44 0.00 0.00 0.00 175.10 174.50 1t17 s SER 49 N -1.27 0.78 -0.13 3.32 0.01 0.51 -1.28 113.70 115.64 1t17 s SER 49 Ca -0.08 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.40 1t17 s SER 49 Cb -0.08 0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 1t17 s SER 49 CO 0.00 -0.23 -0.19 -0.89 0.41 0.00 0.00 173.24 172.35 1t17 s THR 50 N 2.04 2.46 0.28 1.44 2.01 -0.34 -0.29 115.64 123.24 1t17 s THR 50 Ca 0.02 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 1t17 s THR 50 Cb -0.12 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.39 1t17 s THR 50 CO -0.04 0.54 0.52 0.68 -0.69 0.00 0.00 174.62 175.62 1t17 s VAL 51 N 0.60 0.00 0.22 3.82 -7.23 -0.46 0.16 120.40 117.51 1t17 s VAL 51 Ca -0.10 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1t17 s VAL 51 Cb -0.16 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.34 1t17 s VAL 51 CO 0.03 0.00 0.97 -1.81 -0.31 0.00 0.00 175.10 173.99 1t17 s ASP 52 N -3.06 7.55 -0.27 4.85 -0.00 -0.72 0.42 116.67 125.43 1t17 s ASP 52 Ca 0.23 1.97 0.02 0.00 -0.00 0.00 0.00 52.55 54.77 1t17 s ASP 52 Cb -0.01 -2.61 0.07 0.00 -0.00 0.00 0.00 42.92 40.37 1t17 s ASP 52 CO 0.11 0.05 -0.05 0.00 -0.00 0.00 0.00 175.17 175.29 1t17 s ALA 53 N -0.89 2.31 -0.54 5.23 0.00 0.58 -2.20 121.76 126.26 1t17 s ALA 53 Ca 0.43 -1.71 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 1t17 s ALA 53 Cb -0.26 -1.59 0.12 0.00 0.00 0.00 0.00 23.12 21.39 1t17 s ALA 53 CO 0.33 -1.30 0.51 -2.00 0.00 0.00 0.00 175.76 173.30 1t17 s GLU 54 N 1.22 3.00 0.19 0.00 -6.30 0.32 -0.34 118.70 116.78 1t17 s GLU 54 Ca -0.03 -1.62 0.06 0.00 -2.50 0.00 0.00 54.97 50.87 1t17 s GLU 54 Cb -0.19 -4.28 -0.04 0.00 0.00 0.00 0.00 34.13 29.62 1t17 s GLU 54 CO -0.07 -1.32 0.17 0.00 0.02 0.00 0.00 175.26 174.05 1t17 s ALA 55 N 1.74 3.60 0.39 6.30 0.00 -0.15 -1.81 121.76 131.84 1t17 s ALA 55 Ca 0.04 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.76 1t17 s ALA 55 Cb -0.29 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1t17 s ALA 55 CO 0.04 0.42 0.09 -0.65 0.00 0.00 0.00 175.76 175.66 1t17 s GLN 56 N -3.37 1.87 -0.08 0.00 -0.21 -0.01 -1.39 119.66 116.47 1t17 s GLN 56 Ca 0.32 -2.12 0.00 0.00 0.02 0.00 0.00 55.36 53.58 1t17 s GLN 56 Cb -0.09 -0.80 0.02 0.00 1.00 0.00 0.00 33.01 33.14 1t17 s GLN 56 CO 0.24 -0.37 -0.07 0.14 -2.12 0.00 0.00 175.29 173.11 1t17 s VAL 57 N -3.20 0.84 -0.04 1.09 -7.23 -1.06 -3.64 120.40 107.16 1t17 s VAL 57 Ca 0.26 -0.23 -0.05 0.00 -1.81 0.00 0.00 61.98 60.15 1t17 s VAL 57 Cb 0.04 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 36.11 1t17 s VAL 57 CO 0.14 0.32 -0.10 0.61 -0.31 0.00 0.00 175.10 175.76 1t17 n GLY 58 N 4.51 -0.35 1.76 2.32 0.00 -1.26 -4.13 105.19 108.04 1t17 n GLY 58 Ca -0.17 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 1t17 n GLY 58 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t17 n PHE 59 N -3.14 1.00 0.11 1.61 7.35 -1.26 -3.84 117.46 119.29 1t17 n PHE 59 Ca -0.04 -1.63 0.07 0.00 -0.76 0.00 0.00 57.45 55.10 1t17 n PHE 59 Cb 0.14 -0.80 0.14 0.00 0.35 0.00 0.00 39.48 39.32 1t17 n PHE 59 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1t17 n SER 60 N 0.76 2.82 -0.27 -2.13 2.88 -1.26 -4.94 113.62 111.47 1t17 n SER 60 Ca 0.19 -1.84 -0.04 0.00 -1.33 0.00 0.00 58.87 55.86 1t17 n SER 60 Cb 0.55 -0.18 -0.02 0.00 -0.75 0.00 0.00 64.21 63.81 1t17 n SER 60 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1t17 n PHE 61 N 0.83 0.00 -3.42 0.66 7.35 -1.25 -4.87 117.46 116.77 1t17 n PHE 61 Ca 0.13 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.61 1t17 n PHE 61 Cb 0.44 -2.24 -0.10 0.00 0.35 0.00 0.00 39.48 37.93 1t17 n PHE 61 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1t17 s LEU 62 N -0.81 0.13 -0.79 -2.13 0.20 -1.26 -5.08 118.68 108.94 1t17 s LEU 62 Ca 0.00 -1.33 -0.25 0.00 0.69 0.00 0.00 54.13 53.23 1t17 s LEU 62 Cb 0.00 0.26 -0.07 0.00 -0.43 0.00 0.00 46.19 45.95 1t17 s LEU 62 CO 0.00 -0.34 2.10 -0.13 -0.29 0.00 0.00 176.35 177.69 1t17 s ARG 63 N 1.81 2.27 0.02 1.98 3.00 -1.26 -4.75 118.95 122.02 1t17 s ARG 63 Ca 0.13 0.21 -0.09 0.00 0.00 0.00 0.00 55.73 55.99 1t17 s ARG 63 Cb -0.16 -4.84 0.00 0.00 0.00 0.00 0.00 34.95 29.96 1t17 s ARG 63 CO -0.18 -3.55 0.18 -1.21 0.00 0.00 0.00 175.30 170.53 1t17 s GLU 64 N 7.63 0.60 0.31 3.54 2.02 -1.26 -5.06 118.70 126.48 1t17 s GLU 64 Ca 0.78 -0.50 0.10 0.00 0.02 0.00 0.00 54.97 55.36 1t17 s GLU 64 Cb -0.10 0.25 -0.05 0.00 0.10 0.00 0.00 34.13 34.33 1t17 s GLU 64 CO 0.07 -0.16 -0.03 -1.59 0.02 0.00 0.00 175.26 173.57 1t17 s LYS 65 N -1.97 2.05 0.09 1.61 0.00 -1.26 -2.57 119.74 117.70 1t17 s LYS 65 Ca -0.10 -1.67 -0.22 0.00 0.00 0.00 0.00 55.97 53.98 1t17 s LYS 65 Cb -0.04 -1.95 0.05 0.00 0.00 0.00 0.00 37.83 35.89 1t17 s LYS 65 CO -0.01 0.23 0.53 -0.06 0.00 0.00 0.00 175.35 176.03 1t17 s PHE 66 N -2.47 -0.42 0.01 1.78 0.08 -0.49 -4.96 117.98 111.51 1t17 s PHE 66 Ca 0.33 0.33 0.03 0.00 0.12 0.00 0.00 56.93 57.74 1t17 s PHE 66 Cb -0.02 0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 42.81 1t17 s PHE 66 CO 0.19 -0.72 -0.08 0.00 -0.10 0.00 0.00 175.22 174.51 1t17 s ALA 67 N -3.07 0.67 0.07 5.36 0.00 -1.26 -0.98 121.76 122.55 1t17 s ALA 67 Ca -0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 1t17 s ALA 67 Cb -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1t17 s ALA 67 CO -0.07 0.12 0.32 0.95 0.00 0.00 0.00 175.76 177.09 1t17 s THR 68 N -0.48 0.09 -0.51 0.00 -4.23 0.54 -1.97 115.64 109.07 1t17 s THR 68 Ca 0.00 -0.72 -0.27 0.00 -1.18 0.00 0.00 61.69 59.52 1t17 s THR 68 Cb -0.05 -1.07 0.03 0.00 1.34 0.00 0.00 72.50 72.75 1t17 s THR 68 CO 0.00 -0.40 1.08 -0.13 -0.54 0.00 0.00 174.62 174.63 1t17 s ARG 69 N -3.10 3.57 -0.04 3.99 1.81 0.24 0.22 118.95 125.65 1t17 s ARG 69 Ca -0.01 0.28 -0.22 0.00 -1.72 0.00 0.00 55.73 54.06 1t17 s ARG 69 Cb 0.01 -3.96 -0.04 0.00 -0.45 0.00 0.00 34.95 30.51 1t17 s ARG 69 CO -0.07 -1.44 0.66 0.54 -0.68 0.00 0.00 175.30 174.32 1t17 s VAL 70 N 4.36 4.99 -0.25 3.52 0.11 0.17 -1.42 120.40 131.87 1t17 s VAL 70 Ca 0.42 1.38 0.03 0.00 -2.93 0.00 0.00 61.98 60.87 1t17 s VAL 70 Cb -0.09 -4.00 0.05 0.00 -1.53 0.00 0.00 36.38 30.82 1t17 s VAL 70 CO 0.27 0.31 -0.12 -0.13 -3.33 0.00 0.00 175.10 172.11 1t17 s ARG 71 N 0.43 2.36 0.07 1.54 0.52 0.50 -1.35 118.95 123.03 1t17 s ARG 71 Ca 0.35 -1.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.31 1t17 s ARG 71 Cb -0.18 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 1t17 s ARG 71 CO 0.18 -0.52 0.10 1.03 0.02 0.00 0.00 175.30 176.11 1t17 s ARG 72 N 1.13 2.96 -0.13 3.54 0.52 0.60 -1.16 118.95 126.41 1t17 s ARG 72 Ca -0.07 -0.65 -0.05 0.00 -0.52 0.00 0.00 55.73 54.44 1t17 s ARG 72 Cb -0.19 -2.77 0.06 0.00 0.52 0.00 0.00 34.95 32.57 1t17 s ARG 72 CO -0.06 0.58 0.27 0.34 0.02 0.00 0.00 175.30 176.44 1t17 s ASP 73 N -2.38 0.19 0.00 0.23 -1.08 -1.09 -0.36 116.67 112.17 1t17 s ASP 73 Ca 0.30 0.60 0.24 0.00 -0.52 0.00 0.00 52.55 53.17 1t17 s ASP 73 Cb -0.12 0.67 0.31 0.00 -1.46 0.00 0.00 42.92 42.32 1t17 s ASP 73 CO 0.22 -0.22 1.28 2.29 0.52 0.00 0.00 175.17 179.26 1t17 n LYS 74 N 5.10 0.04 -0.00 4.34 2.85 0.58 -0.98 118.16 130.08 1t17 n LYS 74 Ca -0.10 -0.03 0.04 0.00 -1.05 0.00 0.00 58.31 57.17 1t17 n LYS 74 Cb 0.50 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.26 1t17 n LYS 74 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t17 n ASP 75 N -1.46 0.32 -0.02 -5.58 9.92 -1.22 -4.24 116.55 114.28 1t17 n ASP 75 Ca 0.05 0.13 0.06 0.00 -0.53 0.00 0.00 54.79 54.50 1t17 n ASP 75 Cb 0.34 1.13 -0.13 0.00 -0.64 0.00 0.00 41.12 41.82 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t17 n ALA 76 N -2.39 2.44 -3.22 2.24 0.00 -1.25 -5.00 120.51 113.34 1t17 n ALA 76 Ca -0.11 -0.49 -0.22 0.00 0.00 0.00 0.00 53.44 52.62 1t17 n ALA 76 Cb 0.76 -0.48 0.05 0.00 0.00 0.00 0.00 19.45 19.78 1t17 n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t17 n ARG 77 N -2.15 -5.97 -4.24 0.00 1.74 -0.15 -4.99 116.66 100.89 1t17 n ARG 77 Ca -0.07 0.85 -0.14 0.00 -0.77 0.00 0.00 57.85 57.73 1t17 n ARG 77 Cb 0.52 -5.72 -0.10 0.00 -1.02 0.00 0.00 32.46 26.14 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1t17 s SER 78 N -2.96 1.55 0.02 0.55 1.04 -1.18 -4.39 113.70 108.33 1t17 s SER 78 Ca 0.41 -1.07 0.04 0.00 0.48 0.00 0.00 55.95 55.80 1t17 s SER 78 Cb -0.18 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 1t17 s SER 78 CO 0.50 -0.43 -0.13 -0.51 0.98 0.00 0.00 173.24 173.65 1t17 s ILE 79 N -3.47 1.01 -0.02 -1.02 -1.16 -0.75 -2.69 121.20 113.10 1t17 s ILE 79 Ca 0.19 -0.77 -0.03 0.00 -0.51 0.00 0.00 60.65 59.52 1t17 s ILE 79 Cb 0.04 -0.89 0.00 0.00 0.61 0.00 0.00 42.46 42.23 1t17 s ILE 79 CO 0.01 0.11 0.08 -0.62 -2.81 0.00 0.00 174.94 171.72 1t17 s ASP 80 N -0.76 -0.04 -0.05 4.50 2.15 -0.31 -1.58 116.67 120.59 1t17 s ASP 80 Ca 0.02 0.06 -0.01 0.00 0.43 0.00 0.00 52.55 53.06 1t17 s ASP 80 Cb -0.06 0.18 0.03 0.00 -0.30 0.00 0.00 42.92 42.76 1t17 s ASP 80 CO 0.00 -0.10 0.02 -0.69 -0.17 0.00 0.00 175.17 174.23 1t17 s VAL 81 N -0.30 0.17 0.22 1.11 1.01 0.62 0.19 120.40 123.42 1t17 s VAL 81 Ca -0.04 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1t17 s VAL 81 Cb -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1t17 s VAL 81 CO 0.00 0.20 0.03 -0.44 0.00 0.00 0.00 175.10 174.89 1t17 s SER 82 N 1.66 4.82 0.17 3.32 0.01 -0.51 -1.26 113.70 121.90 1t17 s SER 82 Ca -0.01 -0.46 -0.31 0.00 1.31 0.00 0.00 55.95 56.49 1t17 s SER 82 Cb -0.13 -1.02 -0.09 0.00 0.21 0.00 0.00 66.02 65.00 1t17 s SER 82 CO -0.03 0.04 1.36 -0.22 0.41 0.00 0.00 173.24 174.80 1t17 s LEU 83 N -3.33 4.39 0.08 2.44 1.98 -0.82 -0.59 118.68 122.83 1t17 s LEU 83 Ca 0.30 2.41 0.00 0.00 -2.89 0.00 0.00 54.13 53.95 1t17 s LEU 83 Cb -0.08 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 43.17 1t17 s LEU 83 CO 0.20 -0.60 0.00 -0.11 -1.89 0.00 0.00 176.35 173.95 1t17 n LEU 84 N 3.12 0.61 0.00 -0.68 0.00 -1.18 -4.74 117.00 114.14 1t17 n LEU 84 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 56.01 56.21 1t17 n LEU 84 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 43.42 43.68 1t17 n LEU 84 CO 0.58 -0.50 0.07 -1.22 0.00 0.00 0.00 177.39 176.32 1t17 n TYR 85 N -3.30 0.00 0.00 1.96 4.02 -0.87 -4.85 117.16 114.13 1t17 n TYR 85 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1t17 n TYR 85 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1t17 n GLY 86 N 0.04 -2.00 0.00 2.72 0.00 -0.83 -4.24 105.19 100.88 1t17 n GLY 86 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1t17 n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t17 n PRO 87 N 0.00 0.75 -3.67 1.61 -0.04 -1.26 -4.85 135.00 127.54 1t17 n PRO 87 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1t17 n PRO 87 Cb 0.00 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 1t17 n PRO 87 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1t17 n PHE 88 N -0.82 -0.83 0.14 0.54 -0.00 -1.26 -4.40 117.46 110.83 1t17 n PHE 88 Ca 0.11 0.48 0.00 0.00 -0.00 0.00 0.00 57.45 58.04 1t17 n PHE 88 Cb 0.05 -1.43 0.00 0.00 -0.00 0.00 0.00 39.48 38.10 1t17 n PHE 88 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1t17 n LYS 89 N -3.10 0.00 -3.57 -4.13 0.00 -1.26 -5.13 118.16 100.97 1t17 n LYS 89 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.32 1t17 n LYS 89 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.33 1t17 n LYS 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1t17 s ARG 90 N -2.00 0.46 -0.30 1.64 3.52 -1.26 -5.10 118.95 115.91 1t17 s ARG 90 Ca 0.00 0.99 -0.17 0.00 -0.13 0.00 0.00 55.73 56.42 1t17 s ARG 90 Cb 0.00 0.41 0.18 0.00 -1.56 0.00 0.00 34.95 33.98 1t17 s ARG 90 CO 0.00 -0.13 1.18 -1.17 -0.81 0.00 0.00 175.30 174.37 1t17 s LEU 91 N 2.15 -0.23 0.03 -0.88 0.20 -1.26 -1.52 118.68 117.18 1t17 s LEU 91 Ca -0.06 0.21 0.03 0.00 0.69 0.00 0.00 54.13 55.00 1t17 s LEU 91 Cb -0.07 1.22 -0.02 0.00 -0.43 0.00 0.00 46.19 46.89 1t17 s LEU 91 CO -0.18 -0.04 -0.10 0.20 -0.29 0.00 0.00 176.35 175.94 1t17 s ASN 92 N 2.60 1.17 -0.20 3.68 -0.87 0.11 -1.94 114.94 119.49 1t17 s ASN 92 Ca -0.03 -0.41 -0.04 0.00 -1.57 0.00 0.00 52.86 50.81 1t17 s ASN 92 Cb -0.06 -0.05 0.09 0.00 -0.02 0.00 0.00 41.25 41.21 1t17 s ASN 92 CO -0.12 -0.04 0.21 0.21 -2.57 0.00 0.00 177.10 174.78 1t17 s ASN 93 N -1.07 1.53 0.05 -1.22 3.84 -0.39 -0.37 114.94 117.30 1t17 s ASN 93 Ca -0.02 -0.30 0.09 0.00 0.21 0.00 0.00 52.86 52.84 1t17 s ASN 93 Cb -0.07 0.30 -0.03 0.00 -0.55 0.00 0.00 41.25 40.90 1t17 s ASN 93 CO 0.01 -0.33 -0.24 -0.83 -2.79 0.00 0.00 177.10 172.91 1t17 s GLY 94 N 2.30 1.30 -0.03 1.21 0.00 -1.19 -0.28 107.32 110.63 1t17 s GLY 94 Ca 0.06 -1.19 -0.00 0.00 0.00 0.00 0.00 44.72 43.59 1t17 s GLY 94 CO -0.13 -1.10 0.03 0.86 0.00 0.00 0.00 173.10 172.76 1t17 s TRP 95 N -0.82 0.10 0.00 1.90 -0.11 -0.61 -1.34 118.94 118.06 1t17 s TRP 95 Ca 0.10 0.12 0.01 0.00 1.22 0.00 0.00 56.10 57.56 1t17 s TRP 95 Cb -0.10 -0.32 -0.01 0.00 -1.50 0.00 0.00 33.47 31.54 1t17 s TRP 95 CO 0.02 -0.12 -0.04 1.03 -4.62 0.00 0.00 176.95 173.22 1t17 s ARG 96 N 1.28 0.33 0.01 5.86 0.52 0.00 -1.81 118.95 125.13 1t17 s ARG 96 Ca -0.06 -0.22 -0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1t17 s ARG 96 Cb -0.13 -0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.06 1t17 s ARG 96 CO -0.03 0.07 -0.01 -0.59 0.02 0.00 0.00 175.30 174.77 1t17 s PHE 97 N -0.28 0.09 0.22 -0.53 -0.12 -1.26 0.27 117.98 116.35 1t17 s PHE 97 Ca -0.01 -0.18 -0.10 0.00 -0.05 0.00 0.00 56.93 56.60 1t17 s PHE 97 Cb -0.03 -0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 1t17 s PHE 97 CO -0.00 -0.07 0.36 -1.64 -0.05 0.00 0.00 175.22 173.82 1t17 s MET 98 N -0.52 1.38 0.46 1.99 -1.94 -0.08 -4.93 119.30 115.66 1t17 s MET 98 Ca -0.06 -1.29 -0.21 0.00 -1.71 0.00 0.00 55.69 52.42 1t17 s MET 98 Cb -0.04 0.41 -0.09 0.00 2.01 0.00 0.00 34.83 37.13 1t17 s MET 98 CO -0.00 -0.54 1.04 -1.25 -0.01 0.00 0.00 175.02 174.26 1t17 s PRO 99 N -4.03 3.89 -0.42 2.03 0.04 -1.26 -0.55 135.00 134.70 1t17 s PRO 99 Ca 0.24 1.40 0.08 0.00 0.04 0.00 0.00 61.00 62.76 1t17 s PRO 99 Cb 0.02 -2.20 0.18 0.00 0.04 0.00 0.00 34.50 32.53 1t17 s PRO 99 CO 0.07 -0.36 0.62 -1.21 0.04 0.00 0.00 177.00 176.16 1t17 s GLU 100 N -3.05 0.83 4.80 4.56 2.02 -0.76 -4.73 118.70 122.36 1t17 s GLU 100 Ca 0.65 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.27 1t17 s GLU 100 Cb -0.18 0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.08 1t17 s GLU 100 CO 0.22 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.70 1t17 n GLY 101 N 4.29 0.34 0.14 -1.39 0.00 -1.26 -3.35 105.19 103.97 1t17 n GLY 101 Ca 0.12 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.34 1t17 n GLY 101 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1t17 h ASP 102 N 3.96 0.00 -1.86 1.61 3.04 -2.01 -3.46 116.42 117.71 1t17 h ASP 102 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 1t17 h ASP 102 Cb 0.00 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 38.20 1t17 h ASP 102 CO 0.00 0.35 -0.56 0.00 -2.04 0.00 0.00 179.24 177.00 1t17 s ALA 103 N -3.05 3.42 0.04 4.15 0.00 -1.21 -4.62 121.76 120.48 1t17 s ALA 103 Ca 0.03 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.09 1t17 s ALA 103 Cb 0.08 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1t17 s ALA 103 CO 0.75 0.02 0.09 -0.08 0.00 0.00 0.00 175.76 176.54 1t17 s THR 104 N -2.48 4.72 -0.14 0.00 -1.32 -0.67 -1.83 115.64 113.92 1t17 s THR 104 Ca 0.37 -0.56 -0.03 0.00 -1.21 0.00 0.00 61.69 60.26 1t17 s THR 104 Cb -0.01 -3.22 -0.03 0.00 -1.51 0.00 0.00 72.50 67.73 1t17 s THR 104 CO 0.22 0.23 -0.03 -0.60 -2.21 0.00 0.00 174.62 172.22 1t17 s ARG 105 N -2.10 3.49 -0.01 7.08 3.52 0.29 -1.02 118.95 130.19 1t17 s ARG 105 Ca 0.27 -0.50 0.08 0.00 -0.13 0.00 0.00 55.73 55.45 1t17 s ARG 105 Cb -0.12 -2.87 -0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1t17 s ARG 105 CO 0.19 0.35 -0.25 0.08 -0.81 0.00 0.00 175.30 174.86 1t17 s VAL 106 N 0.06 2.12 -0.10 7.11 1.01 0.31 -0.90 120.40 130.01 1t17 s VAL 106 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.85 1t17 s VAL 106 Cb -0.13 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1t17 s VAL 106 CO 0.03 0.54 -0.12 -1.61 0.00 0.00 0.00 175.10 173.94 1t17 s GLU 107 N -0.73 1.83 -0.21 2.72 2.02 0.14 -1.52 118.70 122.96 1t17 s GLU 107 Ca 0.10 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1t17 s GLU 107 Cb -0.10 -1.64 0.05 0.00 0.10 0.00 0.00 34.13 32.53 1t17 s GLU 107 CO -0.00 -0.11 -0.09 0.12 0.02 0.00 0.00 175.26 175.20 1t17 s PHE 108 N 1.13 2.40 -0.03 1.61 2.19 0.51 -0.82 117.98 124.97 1t17 s PHE 108 Ca -0.05 -1.62 -0.02 0.00 0.33 0.00 0.00 56.93 55.57 1t17 s PHE 108 Cb -0.14 -1.62 -0.04 0.00 -1.31 0.00 0.00 43.02 39.91 1t17 s PHE 108 CO -0.02 -0.75 0.08 0.08 1.83 0.00 0.00 175.22 176.44 1t17 s VAL 109 N 1.40 4.79 -0.09 3.12 1.01 -0.45 -1.71 120.40 128.47 1t17 s VAL 109 Ca -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1t17 s VAL 109 Cb -0.17 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1t17 s VAL 109 CO -0.08 0.43 -0.12 0.27 0.00 0.00 0.00 175.10 175.60 1t17 s ILE 110 N -1.12 1.24 -0.05 2.22 -5.25 -0.40 -3.19 121.20 114.65 1t17 s ILE 110 Ca 0.20 -0.49 -0.00 0.00 -0.99 0.00 0.00 60.65 59.37 1t17 s ILE 110 Cb -0.12 -1.16 0.03 0.00 2.95 0.00 0.00 42.46 44.16 1t17 s ILE 110 CO 0.11 0.39 -0.00 -1.61 -1.79 0.00 0.00 174.94 172.03 1t17 s GLU 111 N 1.05 0.51 0.09 0.37 2.02 0.50 -0.81 118.70 122.43 1t17 s GLU 111 Ca -0.07 0.08 -0.20 0.00 0.02 0.00 0.00 54.97 54.81 1t17 s GLU 111 Cb -0.15 -0.78 0.05 0.00 0.10 0.00 0.00 34.13 33.35 1t17 s GLU 111 CO -0.01 -0.22 0.48 -0.59 0.02 0.00 0.00 175.26 174.94 1t17 s PHE 112 N 1.52 -0.35 -0.21 1.61 -0.12 -1.15 0.09 117.98 119.38 1t17 s PHE 112 Ca -0.02 0.22 -0.03 0.00 -0.05 0.00 0.00 56.93 57.04 1t17 s PHE 112 Cb -0.13 0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 42.58 1t17 s PHE 112 CO -0.03 -0.69 -0.05 0.00 -0.05 0.00 0.00 175.22 174.40 1t17 s ALA 113 N -3.12 2.81 0.51 1.99 0.00 -0.57 -3.44 121.76 119.94 1t17 s ALA 113 Ca -0.01 -1.12 0.08 0.00 0.00 0.00 0.00 51.96 50.90 1t17 s ALA 113 Cb 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 21.52 1t17 s ALA 113 CO -0.07 -0.33 0.71 -0.06 0.00 0.00 0.00 175.76 176.01 1t17 s PHE 114 N 1.30 2.13 -0.20 0.00 0.08 -1.26 -4.91 117.98 115.12 1t17 s PHE 114 Ca 0.04 -0.51 -0.19 0.00 0.12 0.00 0.00 56.93 56.38 1t17 s PHE 114 Cb -0.14 -2.37 -0.16 0.00 -0.57 0.00 0.00 43.02 39.78 1t17 s PHE 114 CO -0.02 -0.85 0.14 1.63 -0.10 0.00 0.00 175.22 176.02 1t17 n LYS 115 N -2.11 0.55 -3.35 0.44 4.01 -1.26 -4.86 118.16 111.57 1t17 n LYS 115 Ca 0.12 0.57 -0.38 0.00 -0.51 0.00 0.00 58.31 58.11 1t17 n LYS 115 Cb 0.60 -1.74 -0.06 0.00 -0.51 0.00 0.00 35.03 33.32 1t17 n LYS 115 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1t17 s SER 116 N -6.68 6.62 0.27 4.39 0.15 -1.26 -4.96 113.70 112.23 1t17 s SER 116 Ca -0.27 0.73 0.01 0.00 0.70 0.00 0.00 55.95 57.12 1t17 s SER 116 Cb 0.05 -2.27 0.39 0.00 -1.71 0.00 0.00 66.02 62.49 1t17 s SER 116 CO 0.53 0.00 1.75 0.00 1.20 0.00 0.00 173.24 176.72 1t17 h ALA 117 N 6.80 1.12 -0.20 5.45 0.00 -1.98 0.26 119.26 130.70 1t17 h ALA 117 Ca -0.40 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 1t17 h ALA 117 Cb 1.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1t17 h ALA 117 CO 0.75 0.55 -0.02 -0.07 0.00 0.00 0.00 179.25 180.47 1t17 h LEU 118 N 0.57 0.37 -1.43 0.00 -0.00 -2.00 -2.41 115.31 110.40 1t17 h LEU 118 Ca 0.10 -0.33 -0.04 0.00 -0.00 0.00 0.00 57.88 57.61 1t17 h LEU 118 Cb 0.55 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 1t17 h LEU 118 CO 0.03 0.61 -0.18 -0.07 -0.00 0.00 0.00 178.44 178.84 1t17 h LEU 119 N 0.12 0.00 0.19 1.67 3.38 -1.91 -0.48 115.31 118.28 1t17 h LEU 119 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1t17 h LEU 119 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1t17 h LEU 119 CO 0.01 0.18 -0.09 -0.78 0.09 0.00 0.00 178.44 177.85 1t17 h ASP 120 N 0.00 -0.21 -0.06 -0.43 1.82 0.01 0.70 116.42 118.25 1t17 h ASP 120 Ca -0.00 -0.02 -0.21 0.00 -0.39 0.00 0.00 57.03 56.41 1t17 h ASP 120 Cb 0.59 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1t17 h ASP 120 CO 0.02 -0.12 -0.73 0.00 -1.61 0.00 0.00 179.24 176.80 1t17 h ALA 121 N 0.53 0.42 -0.41 -0.78 0.00 -1.29 0.26 119.26 117.98 1t17 h ALA 121 Ca -0.03 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.31 1t17 h ALA 121 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1t17 h ALA 121 CO 0.04 0.70 0.25 1.98 0.00 0.00 0.00 179.25 182.22 1t17 h MET 122 N 0.49 0.49 0.02 0.00 4.05 -0.88 0.80 114.93 119.91 1t17 h MET 122 Ca -0.04 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1t17 h MET 122 Cb 1.33 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1t17 h MET 122 CO 0.14 0.33 -0.01 -0.07 0.23 0.00 0.00 176.91 177.53 1t17 h LEU 123 N 0.51 -0.02 -1.15 3.39 3.38 0.42 -2.85 115.31 118.99 1t17 h LEU 123 Ca 0.16 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1t17 h LEU 123 Cb -0.01 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1t17 h LEU 123 CO -0.07 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.19 1t17 n ALA 124 N -2.51 1.09 -0.04 1.53 0.00 0.89 -0.25 120.51 121.23 1t17 n ALA 124 Ca -0.09 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1t17 n ALA 124 Cb 0.36 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 1t17 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t17 h ALA 125 N 2.03 -0.04 0.00 0.00 0.00 0.77 -3.30 119.26 118.71 1t17 h ALA 125 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1t17 h ALA 125 Cb 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1t17 h ALA 125 CO 0.00 -0.06 -0.34 -2.95 0.00 0.00 0.00 179.25 175.90 1t17 h ASN 126 N -0.96 0.00 -0.99 0.00 7.08 -1.09 -2.93 115.58 116.70 1t17 h ASN 126 Ca -0.00 0.00 0.35 0.00 -3.08 0.00 0.00 56.30 53.57 1t17 h ASN 126 Cb 0.61 0.00 -0.17 0.00 -2.08 0.00 0.00 38.32 36.68 1t17 h ASN 126 CO 0.01 0.34 0.42 1.62 -2.08 0.00 0.00 177.43 177.73 1t17 h VAL 127 N 0.00 0.09 -0.19 6.14 3.04 -0.69 1.58 116.25 126.22 1t17 h VAL 127 Ca -0.00 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 1t17 h VAL 127 Cb 0.69 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.96 1t17 h VAL 127 CO 0.04 0.02 0.08 -0.78 -1.01 0.00 0.00 177.57 175.92 1t17 h ASP 128 N 0.09 0.26 0.04 3.17 3.58 -1.66 0.26 116.42 122.16 1t17 h ASP 128 Ca 0.75 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 58.06 1t17 h ASP 128 Cb 1.83 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.80 1t17 h ASP 128 CO -0.76 0.34 -0.06 0.03 -2.88 0.00 0.00 179.24 175.91 1t17 h ARG 129 N 0.17 -0.12 -0.84 0.28 2.47 0.19 0.37 114.38 116.90 1t17 h ARG 129 Ca 0.06 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.83 1t17 h ARG 129 Cb 0.15 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.45 1t17 h ARG 129 CO -0.01 -0.08 0.53 0.00 0.56 0.00 0.00 179.97 180.98 1t17 h ALA 130 N 0.83 1.11 -0.16 0.04 0.00 -0.18 0.57 119.26 121.47 1t17 h ALA 130 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1t17 h ALA 130 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1t17 h ALA 130 CO -0.03 0.34 -0.15 0.00 0.00 0.00 0.00 179.25 179.41 1t17 h ALA 131 N 1.36 1.44 -0.24 0.00 0.00 0.13 0.32 119.26 122.28 1t17 h ALA 131 Ca 0.34 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1t17 h ALA 131 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1t17 h ALA 131 CO -0.13 0.39 -0.03 0.78 0.00 0.00 0.00 179.25 180.26 1t17 h GLY 132 N 0.81 0.48 1.16 0.00 0.00 0.18 0.12 103.07 105.82 1t17 h GLY 132 Ca 0.05 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1t17 h GLY 132 CO 0.03 0.35 -0.14 0.07 0.00 0.00 0.00 176.54 176.85 1t17 h LYS 133 N 0.20 0.98 -0.64 4.80 2.10 -0.78 -0.62 116.57 122.60 1t17 h LYS 133 Ca 0.06 -0.37 -0.04 0.00 -2.00 0.00 0.00 60.65 58.30 1t17 h LYS 133 Cb 0.47 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.72 1t17 h LYS 133 CO 0.02 1.04 0.23 1.37 -2.00 0.00 0.00 179.45 180.12 1t17 h LEU 134 N 0.87 0.91 -0.75 7.07 8.10 -0.82 0.08 115.31 130.76 1t17 h LEU 134 Ca 0.13 -0.19 -0.06 0.00 0.11 0.00 0.00 57.88 57.87 1t17 h LEU 134 Cb 0.69 -0.24 -0.03 0.00 -0.44 0.00 0.00 40.66 40.65 1t17 h LEU 134 CO 0.05 0.85 0.23 0.40 -4.11 0.00 0.00 178.44 175.86 1t17 h ILE 135 N 0.91 1.26 -0.43 0.15 2.04 -0.49 -1.40 117.51 119.55 1t17 h ILE 135 Ca 0.21 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1t17 h ILE 135 Cb 0.24 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1t17 h ILE 135 CO -0.01 0.36 0.05 0.00 0.00 0.00 0.00 178.15 178.55 1t17 h ALA 136 N 1.12 1.28 0.14 1.87 0.00 -0.59 0.18 119.26 123.26 1t17 h ALA 136 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1t17 h ALA 136 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1t17 h ALA 136 CO -0.01 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.67 1t17 h PHE 138 N -0.31 1.14 0.17 0.00 3.57 -0.91 -0.70 116.94 119.90 1t17 h PHE 138 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1t17 h PHE 138 Cb 0.25 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1t17 h PHE 138 CO -0.03 0.65 -0.08 1.49 -2.23 0.00 0.00 178.31 178.11 1t17 h GLU 139 N 1.17 -0.22 -0.89 1.11 4.22 -0.66 -0.83 114.58 118.49 1t17 h GLU 139 Ca 0.38 0.02 0.13 0.00 0.08 0.00 0.00 59.36 59.96 1t17 h GLU 139 Cb 0.01 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1t17 h GLU 139 CO -0.12 -0.04 0.57 0.00 -2.18 0.00 0.00 179.01 177.24 1t17 h ALA 140 N 0.43 1.79 -0.35 2.92 0.00 -0.31 0.24 119.26 123.99 1t17 h ALA 140 Ca -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1t17 h ALA 140 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1t17 h ALA 140 CO 0.04 -0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.37 1t17 h ARG 141 N 0.73 0.55 -0.98 0.00 3.08 -0.69 0.44 114.38 117.51 1t17 h ARG 141 Ca 0.44 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.40 1t17 h ARG 141 Cb 0.65 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 1t17 h ARG 141 CO -0.20 0.58 0.64 0.00 -1.07 0.00 0.00 179.97 179.92 1t17 h ALA 142 N 0.94 1.29 -0.03 0.04 0.00 0.43 0.11 119.26 122.04 1t17 h ALA 142 Ca 0.11 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1t17 h ALA 142 Cb 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1t17 h ALA 142 CO -0.00 0.54 -0.70 0.37 0.00 0.00 0.00 179.25 179.46 1t17 h GLN 143 N 1.25 0.18 -0.51 0.00 4.15 -0.74 -0.66 115.11 118.78 1t17 h GLN 143 Ca 0.39 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.56 1t17 h GLN 143 Cb -0.02 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1t17 h GLN 143 CO -0.12 0.80 -0.09 0.37 -1.93 0.00 0.00 178.83 177.86 1t17 h GLN 144 N 0.12 0.93 0.14 1.69 4.15 0.12 1.47 115.11 123.73 1t17 h GLN 144 Ca -0.02 -0.32 -0.01 0.00 0.77 0.00 0.00 58.65 59.07 1t17 h GLN 144 Cb 1.24 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1t17 h GLN 144 CO 0.10 0.98 -0.07 1.25 -1.93 0.00 0.00 178.83 179.16 1t17 h LEU 145 N 0.84 -0.16 -1.70 -2.39 6.46 -0.76 -3.00 115.31 114.59 1t17 h LEU 145 Ca 0.14 -0.34 -0.03 0.00 -0.12 0.00 0.00 57.88 57.52 1t17 h LEU 145 Cb 0.62 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1t17 h LEU 145 CO 0.04 0.42 -0.17 0.45 -0.62 0.00 0.00 178.44 178.57 1t17 h HIS 146 N -0.92 0.00 0.48 1.25 3.86 -1.14 -2.92 115.15 115.76 1t17 h HIS 146 Ca -0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1t17 h HIS 146 Cb 0.50 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 1t17 h HIS 146 CO 0.09 0.17 -0.39 0.78 0.86 0.00 0.00 177.93 179.43 1t17 h GLY 147 N 0.55 -0.98 0.64 2.45 0.00 0.20 -3.50 103.07 102.44 1t17 h GLY 147 Ca -0.00 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1t17 h GLY 147 CO 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.22