#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t17 s HIS 2 N 0.00 0.13 -0.17 3.17 3.76 -1.23 -5.06 115.29 115.90 1t17 s HIS 2 Ca 0.00 -0.52 0.01 0.00 -0.15 0.00 0.00 55.06 54.40 1t17 s HIS 2 Cb 0.00 -0.06 0.02 0.00 1.11 0.00 0.00 32.58 33.66 1t17 s HIS 2 CO 0.00 -0.52 -0.16 0.50 -0.85 0.00 0.00 174.74 173.72 1t17 s ARG 3 N -3.58 2.50 -0.14 1.40 3.52 -1.26 -3.60 118.95 117.79 1t17 s ARG 3 Ca 0.03 -0.69 -0.13 0.00 -0.13 0.00 0.00 55.73 54.80 1t17 s ARG 3 Cb 0.04 -2.31 -0.05 0.00 -1.56 0.00 0.00 34.95 31.07 1t17 s ARG 3 CO -0.09 -0.25 0.29 -1.01 -0.81 0.00 0.00 175.30 173.42 1t17 s HIS 4 N 1.41 3.49 0.02 5.12 3.76 -0.54 -4.98 115.29 123.58 1t17 s HIS 4 Ca 0.04 0.62 0.04 0.00 -0.15 0.00 0.00 55.06 55.61 1t17 s HIS 4 Cb -0.13 -2.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 1t17 s HIS 4 CO -0.11 0.32 -0.06 0.08 -0.85 0.00 0.00 174.74 174.12 1t17 s VAL 5 N 0.20 3.70 -0.09 -0.90 1.01 -1.26 -1.55 120.40 121.51 1t17 s VAL 5 Ca 0.17 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1t17 s VAL 5 Cb -0.13 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.65 1t17 s VAL 5 CO 0.05 0.33 0.22 -0.69 0.00 0.00 0.00 175.10 175.01 1t17 s VAL 6 N -1.06 -0.03 -0.13 2.92 1.01 -0.27 -5.02 120.40 117.81 1t17 s VAL 6 Ca 0.19 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1t17 s VAL 6 Cb -0.11 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1t17 s VAL 6 CO 0.10 0.05 -0.12 -0.89 0.00 0.00 0.00 175.10 174.23 1t17 s THR 7 N 1.02 1.40 0.22 3.92 2.01 -1.26 -0.04 115.64 122.91 1t17 s THR 7 Ca -0.07 -0.53 0.08 0.00 0.31 0.00 0.00 61.69 61.48 1t17 s THR 7 Cb -0.09 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1t17 s THR 7 CO -0.06 0.43 -0.15 -1.59 -0.69 0.00 0.00 174.62 172.55 1t17 s LYS 8 N 1.49 1.39 -0.04 4.92 -2.85 -0.85 -5.03 119.74 118.76 1t17 s LYS 8 Ca 0.04 -1.62 0.00 0.00 -1.00 0.00 0.00 55.97 53.39 1t17 s LYS 8 Cb -0.13 -1.23 0.03 0.00 -2.06 0.00 0.00 37.83 34.44 1t17 s LYS 8 CO -0.09 0.21 -0.01 0.54 0.10 0.00 0.00 175.35 176.10 1t17 s VAL 9 N -2.90 0.33 -0.18 1.79 0.11 -1.26 -1.37 120.40 116.91 1t17 s VAL 9 Ca 0.24 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.32 1t17 s VAL 9 Cb -0.01 -0.42 0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1t17 s VAL 9 CO 0.08 0.19 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.22 1t17 s LEU 10 N 1.19 1.89 -1.20 2.54 1.43 -0.22 -4.98 118.68 119.33 1t17 s LEU 10 Ca -0.07 -0.79 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 1t17 s LEU 10 Cb -0.14 -1.02 -0.07 0.00 0.03 0.00 0.00 46.19 44.99 1t17 s LEU 10 CO -0.02 -0.18 2.43 -0.81 0.23 0.00 0.00 176.35 178.00 1t17 n PRO 11 N 4.80 2.70 -4.40 1.29 -0.04 -1.26 -1.54 135.00 136.55 1t17 n PRO 11 Ca -0.13 -1.82 -0.22 0.00 -0.04 0.00 0.00 63.50 61.29 1t17 n PRO 11 Cb 0.47 -2.66 -0.08 0.00 -0.04 0.00 0.00 33.50 31.19 1t17 n PRO 11 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1t17 s TYR 12 N 3.03 1.72 0.85 0.54 2.02 -1.26 -4.88 117.35 119.38 1t17 s TYR 12 Ca 0.52 -1.41 -0.10 0.00 -0.37 0.00 0.00 57.07 55.71 1t17 s TYR 12 Cb 0.14 -0.95 0.11 0.00 -0.40 0.00 0.00 41.96 40.85 1t17 s TYR 12 CO -0.04 -0.52 1.11 0.95 -1.57 0.00 0.00 175.55 175.49 1t17 s THR 13 N -3.39 2.71 -0.91 -0.71 -4.23 -1.26 -4.35 115.64 103.50 1t17 s THR 13 Ca 0.32 0.23 0.22 0.00 -1.18 0.00 0.00 61.69 61.28 1t17 s THR 13 Cb 0.03 -2.51 0.20 0.00 1.34 0.00 0.00 72.50 71.56 1t17 s THR 13 CO 0.19 -0.30 1.71 -0.81 -0.54 0.00 0.00 174.62 174.86 1t17 n PRO 14 N -3.89 0.05 -0.22 3.99 -0.04 -1.26 -3.28 135.00 130.35 1t17 n PRO 14 Ca 0.10 0.17 0.01 0.00 -0.04 0.00 0.00 63.50 63.73 1t17 n PRO 14 Cb 0.53 -1.57 0.12 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.31 -0.35 3.54 1.82 -2.02 0.38 116.42 120.09 1t17 h ASP 15 Ca 0.00 0.07 0.10 0.00 -0.39 0.00 0.00 57.03 56.81 1t17 h ASP 15 Cb 0.41 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 1t17 h ASP 15 CO 0.00 0.18 0.54 1.56 -1.61 0.00 0.00 179.24 179.91 1t17 h GLN 16 N 0.47 0.00 -0.13 0.28 1.08 -1.94 0.35 115.11 115.22 1t17 h GLN 16 Ca 0.32 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 1t17 h GLN 16 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1t17 h GLN 16 CO -0.29 0.00 0.03 -0.07 -0.95 0.00 0.00 178.83 177.54 1t17 h LEU 17 N 0.00 0.20 -1.52 1.46 3.38 -0.47 -2.27 115.31 116.08 1t17 h LEU 17 Ca 0.17 -0.24 0.35 0.00 0.09 0.00 0.00 57.88 58.25 1t17 h LEU 17 Cb 1.25 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 1t17 h LEU 17 CO -0.00 0.39 0.80 0.15 0.09 0.00 0.00 178.44 179.86 1t17 h PHE 18 N 0.00 0.47 0.00 1.13 3.04 -0.34 1.76 116.94 123.00 1t17 h PHE 18 Ca 0.04 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.82 1t17 h PHE 18 Cb 0.27 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 1t17 h PHE 18 CO 0.01 -0.04 -0.88 0.93 -2.02 0.00 0.00 178.31 176.31 1t17 h GLU 19 N 0.20 0.00 -0.00 1.11 5.08 -1.49 -2.31 114.58 117.16 1t17 h GLU 19 Ca 0.68 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.96 1t17 h GLU 19 Cb 2.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.37 1t17 h GLU 19 CO -0.27 0.88 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.21 1t17 h LEU 20 N 0.00 0.30 -1.12 1.33 3.38 0.28 0.29 115.31 119.76 1t17 h LEU 20 Ca -0.01 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.18 1t17 h LEU 20 Cb 1.64 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 1t17 h LEU 20 CO 0.11 1.03 0.41 0.58 0.09 0.00 0.00 178.44 180.66 1t17 h VAL 21 N -0.40 1.22 -0.58 1.22 2.07 0.51 -1.48 116.25 118.81 1t17 h VAL 21 Ca -0.04 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 66.82 1t17 h VAL 21 Cb 1.07 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 1t17 h VAL 21 CO 0.07 0.24 0.14 0.61 0.02 0.00 0.00 177.57 178.65 1t17 n GLY 22 N -1.22 3.73 0.05 2.17 0.00 -0.87 -4.44 105.19 104.61 1t17 n GLY 22 Ca 0.07 -1.02 0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.17 0.20 0.02 1.61 4.64 0.10 0.52 116.55 123.47 1t17 n ASP 23 Ca 0.34 0.57 0.13 0.00 -1.38 0.00 0.00 54.79 54.45 1t17 n ASP 23 Cb 1.23 -0.61 0.39 0.00 -1.04 0.00 0.00 41.12 41.10 1t17 n ASP 23 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1t17 n VAL 24 N -1.75 0.11 -2.05 5.18 0.24 -1.26 -3.73 118.33 115.08 1t17 n VAL 24 Ca 0.01 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1t17 n VAL 24 Cb 0.10 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 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 -1.67 0.10 0.00 -1.34 2.03 0.78 -4.19 116.55 112.27 1t17 n ASP 25 Ca 0.06 -1.97 0.00 0.00 0.52 0.00 0.00 54.79 53.40 1t17 n ASP 25 Cb 0.36 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1t17 n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t17 n ALA 26 N 0.05 0.00 -1.84 -1.67 0.00 0.18 -5.07 120.51 112.17 1t17 n ALA 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1t17 n ALA 26 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1t17 n ALA 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1t17 n TYR 27 N 0.00 -4.48 0.00 0.00 4.01 -1.26 -4.96 117.16 110.47 1t17 n TYR 27 Ca 0.00 2.35 0.00 0.00 -0.16 0.00 0.00 57.90 60.09 1t17 n TYR 27 Cb 0.00 -3.46 0.00 0.00 -0.31 0.00 0.00 39.34 35.57 1t17 n TYR 27 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1t17 n PRO 28 N 0.18 0.00 -2.66 -0.72 -0.04 -1.26 -4.98 135.00 125.52 1t17 n PRO 28 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1t17 n PRO 28 Cb 0.00 -0.62 0.07 0.00 -0.04 0.00 0.00 33.50 32.91 1t17 n PRO 28 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1t17 n LYS 29 N -0.50 0.08 0.00 0.54 -0.00 -1.26 -5.09 118.16 111.93 1t17 n LYS 29 Ca 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 58.31 57.67 1t17 n LYS 29 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 35.03 34.91 1t17 n LYS 29 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1t17 n PHE 30 N 1.62 0.00 -1.67 5.58 7.35 -1.26 -5.09 117.46 123.99 1t17 n PHE 30 Ca 0.02 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.64 1t17 n PHE 30 Cb 0.71 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.54 1t17 n PHE 30 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1t17 n VAL 31 N 0.00 -1.02 0.04 -2.13 0.24 -1.26 -4.82 118.33 109.38 1t17 n VAL 31 Ca 0.00 0.11 -0.16 0.00 -2.04 0.00 0.00 64.34 62.25 1t17 n VAL 31 Cb 0.00 -1.16 -0.06 0.00 -1.47 0.00 0.00 33.84 31.16 1t17 n VAL 31 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1t17 h PRO 32 N 1.38 0.57 -0.91 7.34 0.13 -1.98 -3.04 132.00 135.50 1t17 h PRO 32 Ca -0.10 -0.56 0.26 0.00 -0.87 0.00 0.00 66.00 64.74 1t17 h PRO 32 Cb 0.43 0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.67 1t17 h PRO 32 CO 0.04 1.18 0.95 0.11 -0.23 0.00 0.00 178.00 180.05 1t17 h TRP 33 N 0.35 0.00 -1.80 1.56 5.08 -1.91 -3.37 115.95 115.87 1t17 h TRP 33 Ca -0.08 0.00 -0.62 0.00 1.08 0.00 0.00 58.89 59.27 1t17 h TRP 33 Cb 1.54 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.57 1t17 h TRP 33 CO 0.07 0.00 -0.63 0.42 -1.28 0.00 0.00 178.44 177.02 1t17 s ILE 34 N -4.56 2.16 0.00 0.12 1.01 -1.15 -4.57 121.20 114.21 1t17 s ILE 34 Ca -0.04 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.54 1t17 s ILE 34 Cb 0.16 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.80 1t17 s ILE 34 CO 0.55 -0.10 0.00 1.07 0.00 0.00 0.00 174.94 176.46 1t17 n THR 35 N -0.90 0.00 -3.81 2.92 5.66 -1.26 -4.73 114.28 112.15 1t17 n THR 35 Ca -0.05 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.68 1t17 n THR 35 Cb 0.65 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.40 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 -0.89 1.78 -0.02 1.09 0.00 -1.26 -4.95 107.32 103.07 1t17 s GLY 36 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 44.72 43.52 1t17 s GLY 36 CO 0.00 -0.89 0.64 -3.16 0.00 0.00 0.00 173.10 169.70 1t17 s MET 37 N -3.24 1.07 -0.28 2.90 0.00 -1.25 -0.90 119.30 117.61 1t17 s MET 37 Ca 0.37 0.12 -0.21 0.00 0.00 0.00 0.00 55.69 55.96 1t17 s MET 37 Cb -0.11 0.50 0.09 0.00 0.00 0.00 0.00 34.83 35.31 1t17 s MET 37 CO 0.29 -0.35 0.82 0.50 0.00 0.00 0.00 175.02 176.27 1t17 s ARG 38 N -1.58 0.67 -0.07 3.16 6.06 -0.55 -4.96 118.95 121.68 1t17 s ARG 38 Ca -0.09 0.92 -0.01 0.00 -2.50 0.00 0.00 55.73 54.05 1t17 s ARG 38 Cb -0.00 0.26 0.03 0.00 0.06 0.00 0.00 34.95 35.29 1t17 s ARG 38 CO 0.06 -0.10 -0.00 0.95 -2.50 0.00 0.00 175.30 173.71 1t17 s THR 39 N 0.81 0.38 -0.68 4.11 -4.23 -1.26 -0.17 115.64 114.60 1t17 s THR 39 Ca -0.03 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1t17 s THR 39 Cb -0.05 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.26 1t17 s THR 39 CO -0.08 0.25 0.00 -2.67 -0.54 0.00 0.00 174.62 171.58 1t17 n TRP 40 N 5.02 0.00 -2.59 3.99 2.14 -0.78 -4.98 117.44 120.24 1t17 n TRP 40 Ca -0.09 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.45 1t17 n TRP 40 Cb 0.50 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.98 1t17 n TRP 40 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1t17 n ASN 41 N 0.41 -3.65 0.00 -0.67 3.02 -1.26 -0.79 115.26 112.32 1t17 n ASN 41 Ca 0.00 1.32 0.00 0.00 -0.03 0.00 0.00 54.58 55.87 1t17 n ASN 41 Cb 0.00 -5.09 0.00 0.00 -0.61 0.00 0.00 39.78 34.08 1t17 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t17 n GLY 42 N 1.19 -0.95 3.13 7.41 0.00 -1.26 -1.56 105.19 113.15 1t17 n GLY 42 Ca -0.23 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.45 0.66 -0.10 1.61 1.70 0.13 -4.98 118.95 117.52 1t17 s ARG 43 Ca 0.00 -0.95 0.00 0.00 -0.47 0.00 0.00 55.73 54.32 1t17 s ARG 43 Cb 0.00 0.25 0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1t17 s ARG 43 CO 0.00 -0.16 -0.09 0.54 -1.08 0.00 0.00 175.30 174.51 1t17 s VAL 44 N -3.31 1.05 -0.05 4.99 0.11 -1.26 -0.97 120.40 120.97 1t17 s VAL 44 Ca 0.01 -0.34 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1t17 s VAL 44 Cb 0.03 -1.04 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1t17 s VAL 44 CO -0.08 0.36 -0.05 -0.62 -3.33 0.00 0.00 175.10 171.38 1t17 s ASP 45 N 1.42 1.02 0.69 3.54 2.15 -0.21 -5.02 116.67 120.27 1t17 s ASP 45 Ca -0.00 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.83 1t17 s ASP 45 Cb -0.13 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.00 1t17 s ASP 45 CO -0.05 -0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 1t17 n GLY 46 N 4.01 2.69 1.77 2.66 0.00 -1.26 0.32 105.19 115.38 1t17 n GLY 46 Ca -0.25 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 8.33 4.41 -2.58 4.61 0.00 -1.26 -4.86 120.51 129.16 1t17 n ALA 47 Ca 0.00 -1.86 -0.22 0.00 0.00 0.00 0.00 53.44 51.36 1t17 n ALA 47 Cb 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.24 1.47 -0.06 0.00 1.01 0.15 0.19 120.40 120.92 1t17 s VAL 48 Ca 0.39 -1.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1t17 s VAL 48 Cb 0.32 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 35.40 1t17 s VAL 48 CO 0.08 -0.03 0.14 -0.44 0.00 0.00 0.00 175.10 174.86 1t17 s SER 49 N -1.58 -0.11 -0.11 3.32 0.01 0.44 -1.04 113.70 114.64 1t17 s SER 49 Ca 0.04 0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.60 1t17 s SER 49 Cb -0.09 0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.34 1t17 s SER 49 CO 0.03 -0.15 -0.11 -0.89 0.41 0.00 0.00 173.24 172.53 1t17 s THR 50 N 1.16 1.26 0.28 1.44 2.01 -0.14 -0.31 115.64 121.35 1t17 s THR 50 Ca -0.09 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1t17 s THR 50 Cb -0.12 -1.20 0.00 0.00 0.01 0.00 0.00 72.50 71.20 1t17 s THR 50 CO -0.06 0.40 0.52 0.68 -0.69 0.00 0.00 174.62 175.47 1t17 s VAL 51 N 1.33 0.00 0.33 3.82 -7.23 -0.53 0.22 120.40 118.34 1t17 s VAL 51 Ca -0.01 -1.39 -0.26 0.00 -1.81 0.00 0.00 61.98 58.51 1t17 s VAL 51 Cb -0.14 -2.36 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 1t17 s VAL 51 CO -0.05 0.00 0.99 -1.81 -0.31 0.00 0.00 175.10 173.92 1t17 s ASP 52 N -3.07 7.20 -0.25 4.85 1.01 0.03 0.45 116.67 126.90 1t17 s ASP 52 Ca 0.23 1.96 0.01 0.00 0.71 0.00 0.00 52.55 55.45 1t17 s ASP 52 Cb -0.01 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.39 1t17 s ASP 52 CO 0.12 -0.17 -0.02 0.00 0.21 0.00 0.00 175.17 175.31 1t17 s ALA 53 N -1.53 1.93 -0.55 5.23 0.00 0.49 -1.87 121.76 125.47 1t17 s ALA 53 Ca 0.51 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 1t17 s ALA 53 Cb -0.22 -1.48 0.11 0.00 0.00 0.00 0.00 23.12 21.53 1t17 s ALA 53 CO 0.28 -1.28 0.56 -2.00 0.00 0.00 0.00 175.76 173.32 1t17 s GLU 54 N 1.41 3.01 0.16 0.00 2.12 0.76 -0.03 118.70 126.13 1t17 s GLU 54 Ca -0.02 -1.49 0.05 0.00 0.36 0.00 0.00 54.97 53.87 1t17 s GLU 54 Cb -0.19 -4.25 -0.04 0.00 0.26 0.00 0.00 34.13 29.91 1t17 s GLU 54 CO -0.08 -1.35 0.15 0.00 -0.54 0.00 0.00 175.26 173.44 1t17 s ALA 55 N 2.02 3.62 0.46 6.30 0.00 0.09 -1.48 121.76 132.77 1t17 s ALA 55 Ca 0.07 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1t17 s ALA 55 Cb -0.27 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1t17 s ALA 55 CO 0.05 0.52 0.08 -0.65 0.00 0.00 0.00 175.76 175.76 1t17 s GLN 56 N -3.08 2.08 -0.04 0.00 -0.21 -0.08 -1.77 119.66 116.56 1t17 s GLN 56 Ca 0.31 -2.31 -0.01 0.00 0.02 0.00 0.00 55.36 53.37 1t17 s GLN 56 Cb -0.10 -1.02 0.03 0.00 1.00 0.00 0.00 33.01 32.92 1t17 s GLN 56 CO 0.24 -0.45 0.03 0.14 -2.12 0.00 0.00 175.29 173.13 1t17 s VAL 57 N -3.05 0.07 -0.05 1.09 -7.23 -1.20 -4.07 120.40 105.96 1t17 s VAL 57 Ca 0.14 0.27 -0.01 0.00 -1.81 0.00 0.00 61.98 60.58 1t17 s VAL 57 Cb 0.01 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.66 1t17 s VAL 57 CO 0.09 0.19 -0.05 0.61 -0.31 0.00 0.00 175.10 175.62 1t17 n GLY 58 N 4.96 -0.07 0.61 2.32 0.00 -1.26 -4.28 105.19 107.46 1t17 n GLY 58 Ca -0.10 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.82 0.41 0.13 1.61 -0.00 -1.26 -3.29 117.46 112.23 1t17 n PHE 59 Ca -0.09 -0.16 0.11 0.00 -0.00 0.00 0.00 57.45 57.31 1t17 n PHE 59 Cb 0.59 -0.10 0.23 0.00 -0.00 0.00 0.00 39.48 40.20 1t17 n PHE 59 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1t17 n SER 60 N 0.12 3.52 -0.62 -2.13 7.64 -1.26 -4.92 113.62 115.96 1t17 n SER 60 Ca 0.07 -1.98 -0.08 0.00 1.01 0.00 0.00 58.87 57.89 1t17 n SER 60 Cb 0.33 -0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 1t17 n SER 60 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1t17 n PHE 61 N 1.46 -0.03 -3.89 1.43 7.35 -1.21 -4.91 117.46 117.66 1t17 n PHE 61 Ca 0.20 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.69 1t17 n PHE 61 Cb 0.59 -2.46 -0.17 0.00 0.35 0.00 0.00 39.48 37.79 1t17 n PHE 61 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1t17 s LEU 62 N -1.82 0.90 -0.82 -2.13 1.43 -1.26 -5.09 118.68 109.88 1t17 s LEU 62 Ca 0.00 -0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.86 1t17 s LEU 62 Cb 0.00 -0.32 0.13 0.00 0.03 0.00 0.00 46.19 46.02 1t17 s LEU 62 CO 0.00 -0.14 1.00 -0.60 0.23 0.00 0.00 176.35 176.85 1t17 s ARG 63 N 1.43 3.44 -0.06 1.70 3.00 -1.26 -4.49 118.95 122.71 1t17 s ARG 63 Ca -0.04 -1.61 -0.06 0.00 -1.00 0.00 0.00 55.73 53.02 1t17 s ARG 63 Cb -0.13 -4.66 0.01 0.00 0.00 0.00 0.00 34.95 30.18 1t17 s ARG 63 CO -0.03 -1.70 0.16 -1.21 0.00 0.00 0.00 175.30 172.53 1t17 s GLU 64 N 2.67 0.22 0.06 5.12 2.02 -1.26 -5.07 118.70 122.46 1t17 s GLU 64 Ca 0.26 0.17 0.06 0.00 0.02 0.00 0.00 54.97 55.48 1t17 s GLU 64 Cb -0.10 0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.20 1t17 s GLU 64 CO -0.04 -0.03 -0.12 -1.59 0.02 0.00 0.00 175.26 173.50 1t17 s LYS 65 N -0.05 2.20 0.01 1.61 -2.85 -1.26 -3.24 119.74 116.15 1t17 s LYS 65 Ca -0.01 -0.95 -0.10 0.00 -1.00 0.00 0.00 55.97 53.91 1t17 s LYS 65 Cb -0.02 -2.31 0.01 0.00 -2.06 0.00 0.00 37.83 33.45 1t17 s LYS 65 CO 0.00 0.54 0.21 -0.06 0.10 0.00 0.00 175.35 176.14 1t17 s PHE 66 N -1.07 -0.01 0.01 1.78 0.40 -0.73 -4.91 117.98 113.45 1t17 s PHE 66 Ca 0.18 -0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.50 1t17 s PHE 66 Cb -0.11 0.00 -0.02 0.00 0.51 0.00 0.00 43.02 43.40 1t17 s PHE 66 CO 0.09 -0.38 -0.21 0.00 0.70 0.00 0.00 175.22 175.43 1t17 s ALA 67 N -1.87 1.76 0.04 5.36 0.00 -1.26 -0.73 121.76 125.05 1t17 s ALA 67 Ca -0.10 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 1t17 s ALA 67 Cb -0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 1t17 s ALA 67 CO 0.00 0.41 0.15 0.95 0.00 0.00 0.00 175.76 177.27 1t17 s THR 68 N -0.64 0.12 -0.46 0.00 -4.23 0.96 -2.39 115.64 108.99 1t17 s THR 68 Ca 0.08 -0.98 -0.29 0.00 -1.18 0.00 0.00 61.69 59.32 1t17 s THR 68 Cb -0.08 -0.88 0.02 0.00 1.34 0.00 0.00 72.50 72.89 1t17 s THR 68 CO 0.00 -0.54 1.32 -0.60 -0.54 0.00 0.00 174.62 174.27 1t17 s ARG 69 N -2.54 3.57 -0.05 3.99 3.52 0.22 0.19 118.95 127.85 1t17 s ARG 69 Ca -0.05 0.73 -0.19 0.00 -0.13 0.00 0.00 55.73 56.08 1t17 s ARG 69 Cb -0.01 -4.01 -0.05 0.00 -1.56 0.00 0.00 34.95 29.32 1t17 s ARG 69 CO -0.04 -1.58 0.54 0.54 -0.81 0.00 0.00 175.30 173.95 1t17 s VAL 70 N 5.23 5.04 -0.19 7.11 0.11 0.17 -1.39 120.40 136.48 1t17 s VAL 70 Ca 0.55 1.11 0.00 0.00 -2.93 0.00 0.00 61.98 60.71 1t17 s VAL 70 Cb -0.11 -3.87 0.04 0.00 -1.53 0.00 0.00 36.38 30.91 1t17 s VAL 70 CO 0.31 0.39 -0.08 -0.13 -3.33 0.00 0.00 175.10 172.26 1t17 s ARG 71 N 0.09 1.81 0.12 1.54 0.52 0.17 -1.46 118.95 121.74 1t17 s ARG 71 Ca 0.29 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.81 1t17 s ARG 71 Cb -0.17 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 1t17 s ARG 71 CO 0.14 -0.45 -0.08 -0.98 0.02 0.00 0.00 175.30 173.96 1t17 s ARG 72 N 1.47 2.20 -0.15 3.54 1.70 0.58 -1.30 118.95 126.99 1t17 s ARG 72 Ca -0.01 -1.04 -0.05 0.00 -0.47 0.00 0.00 55.73 54.16 1t17 s ARG 72 Cb -0.16 -2.32 0.07 0.00 -0.57 0.00 0.00 34.95 31.97 1t17 s ARG 72 CO -0.08 0.50 0.27 0.34 -1.08 0.00 0.00 175.30 175.25 1t17 s ASP 73 N -2.38 0.41 0.00 -2.89 3.68 -1.04 -0.42 116.67 114.04 1t17 s ASP 73 Ca 0.23 0.52 0.26 0.00 2.13 0.00 0.00 52.55 55.69 1t17 s ASP 73 Cb -0.11 0.73 0.69 0.00 -1.45 0.00 0.00 42.92 42.78 1t17 s ASP 73 CO 0.15 -0.25 1.53 2.29 0.13 0.00 0.00 175.17 179.02 1t17 n LYS 74 N 5.35 0.46 -0.01 4.34 2.85 0.13 -0.28 118.16 131.00 1t17 n LYS 74 Ca -0.06 -0.26 0.02 0.00 -1.05 0.00 0.00 58.31 56.96 1t17 n LYS 74 Cb 0.50 -1.49 -0.13 0.00 -0.65 0.00 0.00 35.03 33.25 1t17 n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1t17 n ASP 75 N -1.04 0.32 -0.03 -5.58 2.03 -1.22 -4.29 116.55 106.74 1t17 n ASP 75 Ca 0.09 0.14 0.03 0.00 0.52 0.00 0.00 54.79 55.57 1t17 n ASP 75 Cb 0.34 1.07 -0.11 0.00 -0.72 0.00 0.00 41.12 41.69 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t17 n ALA 76 N -2.42 2.28 -3.03 -1.67 0.00 -1.23 -5.00 120.51 109.43 1t17 n ALA 76 Ca -0.13 -0.52 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 1t17 n ALA 76 Cb 0.81 -0.36 0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.16 -4.70 -4.24 0.00 1.74 0.62 -5.01 116.66 102.91 1t17 n ARG 77 Ca -0.09 0.70 -0.14 0.00 -0.77 0.00 0.00 57.85 57.55 1t17 n ARG 77 Cb 0.55 -5.17 -0.10 0.00 -1.02 0.00 0.00 32.46 26.72 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 -2.94 1.79 0.02 0.55 1.04 -1.15 -4.30 113.70 108.71 1t17 s SER 78 Ca 0.32 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1t17 s SER 78 Cb -0.14 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.95 1t17 s SER 78 CO 0.39 -0.31 -0.08 -0.63 0.98 0.00 0.00 173.24 173.59 1t17 s ILE 79 N -3.19 0.62 -0.08 -1.02 -1.09 -0.48 -2.50 121.20 113.46 1t17 s ILE 79 Ca 0.15 -0.63 -0.09 0.00 -2.23 0.00 0.00 60.65 57.86 1t17 s ILE 79 Cb 0.02 -0.58 0.02 0.00 -1.58 0.00 0.00 42.46 40.34 1t17 s ILE 79 CO 0.01 -0.03 0.23 -0.62 -1.23 0.00 0.00 174.94 173.30 1t17 s ASP 80 N -0.73 -0.22 -0.02 3.58 -1.08 -0.42 -1.50 116.67 116.28 1t17 s ASP 80 Ca -0.01 0.41 0.03 0.00 -0.52 0.00 0.00 52.55 52.45 1t17 s ASP 80 Cb -0.06 0.46 0.00 0.00 -1.46 0.00 0.00 42.92 41.86 1t17 s ASP 80 CO 0.00 -0.12 -0.09 -0.69 0.52 0.00 0.00 175.17 174.79 1t17 s VAL 81 N -0.06 0.79 0.30 1.11 1.01 0.36 0.44 120.40 124.35 1t17 s VAL 81 Ca -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1t17 s VAL 81 Cb -0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1t17 s VAL 81 CO 0.01 0.24 0.15 -0.44 0.00 0.00 0.00 175.10 175.06 1t17 s SER 82 N 0.07 1.51 0.32 3.32 0.01 -0.48 -1.22 113.70 117.22 1t17 s SER 82 Ca -0.01 -1.54 -0.29 0.00 1.31 0.00 0.00 55.95 55.42 1t17 s SER 82 Cb -0.07 0.36 -0.11 0.00 0.21 0.00 0.00 66.02 66.41 1t17 s SER 82 CO 0.00 -0.87 1.52 -0.22 0.41 0.00 0.00 173.24 174.08 1t17 s LEU 83 N -3.37 4.35 0.14 2.44 0.20 -1.16 0.71 118.68 121.99 1t17 s LEU 83 Ca 0.36 2.93 0.00 0.00 0.69 0.00 0.00 54.13 58.11 1t17 s LEU 83 Cb 0.05 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 42.17 1t17 s LEU 83 CO 0.17 -0.85 0.00 -0.11 -0.29 0.00 0.00 176.35 175.27 1t17 n LEU 84 N 1.53 0.85 0.00 -0.68 0.00 -1.24 -4.33 117.00 113.14 1t17 n LEU 84 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 56.01 56.27 1t17 n LEU 84 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 43.42 43.62 1t17 n LEU 84 CO 0.63 -0.76 -0.09 -1.22 0.00 0.00 0.00 177.39 175.94 1t17 n TYR 85 N -3.50 0.00 -0.56 1.96 4.02 -1.21 -4.97 117.16 112.91 1t17 n TYR 85 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 1t17 n TYR 85 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.31 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 1.32 -0.59 0.00 2.72 0.00 -1.01 -4.75 105.19 102.89 1t17 n GLY 86 Ca 0.00 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 0.42 0.11 -0.79 1.61 -0.04 -1.26 -4.83 135.00 130.22 1t17 n PRO 87 Ca 0.07 0.11 -0.29 0.00 -0.04 0.00 0.00 63.50 63.35 1t17 n PRO 87 Cb 0.09 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.25 1t17 n PRO 87 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t17 s PHE 88 N -2.86 1.70 0.00 0.54 -0.12 -1.26 -5.03 117.98 110.95 1t17 s PHE 88 Ca 0.14 1.30 0.00 0.00 -0.05 0.00 0.00 56.93 58.32 1t17 s PHE 88 Cb 0.15 -3.18 0.00 0.00 -0.63 0.00 0.00 43.02 39.36 1t17 s PHE 88 CO 0.38 -3.24 0.00 1.17 -0.05 0.00 0.00 175.22 173.48 1t17 n LYS 89 N -4.48 0.00 -3.66 1.99 0.00 -1.26 -4.89 118.16 105.86 1t17 n LYS 89 Ca 0.06 0.07 -0.38 0.00 0.00 0.00 0.00 58.31 58.06 1t17 n LYS 89 Cb 0.54 -0.41 -0.12 0.00 0.00 0.00 0.00 35.03 35.04 1t17 n LYS 89 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1t17 s ARG 90 N -0.22 3.63 -0.21 1.64 0.52 -1.26 -4.99 118.95 118.05 1t17 s ARG 90 Ca 0.00 -0.52 -0.04 0.00 -0.52 0.00 0.00 55.73 54.65 1t17 s ARG 90 Cb 0.00 -3.53 0.11 0.00 0.52 0.00 0.00 34.95 32.05 1t17 s ARG 90 CO 0.00 -0.27 0.35 -1.17 0.02 0.00 0.00 175.30 174.22 1t17 s LEU 91 N 1.67 -0.51 -0.00 2.53 2.96 -1.26 -0.91 118.68 123.15 1t17 s LEU 91 Ca 0.06 0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1t17 s LEU 91 Cb -0.16 1.00 -0.00 0.00 0.50 0.00 0.00 46.19 47.53 1t17 s LEU 91 CO 0.07 -0.28 0.02 0.20 -1.32 0.00 0.00 176.35 175.04 1t17 s ASN 92 N 2.51 0.04 -0.19 3.68 0.01 0.24 -2.96 114.94 118.27 1t17 s ASN 92 Ca 0.07 -0.10 -0.03 0.00 -0.71 0.00 0.00 52.86 52.09 1t17 s ASN 92 Cb -0.14 0.07 0.06 0.00 0.41 0.00 0.00 41.25 41.65 1t17 s ASN 92 CO -0.14 -0.10 0.03 0.20 -1.51 0.00 0.00 177.10 175.58 1t17 s ASN 93 N -0.44 2.85 -0.09 -1.22 -0.87 -0.36 -0.34 114.94 114.48 1t17 s ASN 93 Ca -0.05 -0.78 0.01 0.00 -1.57 0.00 0.00 52.86 50.47 1t17 s ASN 93 Cb -0.03 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.25 40.57 1t17 s ASN 93 CO -0.00 -0.29 -0.12 -0.83 -2.57 0.00 0.00 177.10 173.28 1t17 s GLY 94 N 1.85 1.57 -0.25 0.66 0.00 -0.62 0.13 107.32 110.66 1t17 s GLY 94 Ca -0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 1t17 s GLY 94 CO -0.08 -0.51 0.02 -0.98 0.00 0.00 0.00 173.10 171.56 1t17 s TRP 95 N -0.29 1.89 0.15 1.90 0.23 -0.56 -1.86 118.94 120.40 1t17 s TRP 95 Ca 0.03 -1.57 0.05 0.00 -2.03 0.00 0.00 56.10 52.58 1t17 s TRP 95 Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 33.47 31.79 1t17 s TRP 95 CO 0.03 -0.77 0.08 1.03 0.96 0.00 0.00 176.95 178.28 1t17 s ARG 96 N 1.56 2.74 -0.26 4.98 3.00 -0.78 -1.39 118.95 128.81 1t17 s ARG 96 Ca 0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 55.73 54.82 1t17 s ARG 96 Cb -0.18 -2.58 0.11 0.00 0.00 0.00 0.00 34.95 32.31 1t17 s ARG 96 CO -0.12 0.49 0.24 -0.06 0.00 0.00 0.00 175.30 175.85 1t17 s PHE 97 N -1.65 -0.25 -0.10 -0.53 0.40 -1.26 -1.18 117.98 113.40 1t17 s PHE 97 Ca 0.29 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.50 1t17 s PHE 97 Cb -0.10 -0.50 0.01 0.00 0.51 0.00 0.00 43.02 42.93 1t17 s PHE 97 CO 0.22 -0.78 -0.20 1.41 0.70 0.00 0.00 175.22 176.56 1t17 s MET 98 N 2.30 2.66 0.51 0.44 1.75 0.65 -4.96 119.30 122.65 1t17 s MET 98 Ca 0.08 -0.74 -0.19 0.00 -1.25 0.00 0.00 55.69 53.59 1t17 s MET 98 Cb -0.15 -2.07 -0.08 0.00 2.84 0.00 0.00 34.83 35.37 1t17 s MET 98 CO -0.26 0.09 1.04 -1.25 -0.65 0.00 0.00 175.02 174.00 1t17 s PRO 99 N 0.55 3.72 -0.40 4.11 0.04 -1.26 -0.17 135.00 141.58 1t17 s PRO 99 Ca -0.15 1.31 0.09 0.00 0.04 0.00 0.00 61.00 62.29 1t17 s PRO 99 Cb -0.17 -2.08 0.30 0.00 0.04 0.00 0.00 34.50 32.59 1t17 s PRO 99 CO 0.05 -0.50 0.75 0.39 0.04 0.00 0.00 177.00 177.73 1t17 n GLU 100 N -1.19 0.88 0.00 4.56 1.02 -0.66 -4.80 120.64 120.44 1t17 n GLU 100 Ca 0.09 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.32 1t17 n GLU 100 Cb 0.53 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1t17 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t17 n GLY 101 N 0.79 0.69 0.19 0.62 0.00 -1.26 -4.30 105.19 101.92 1t17 n GLY 101 Ca 0.19 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 0.00 -1.68 1.61 2.03 -1.99 -3.45 116.42 112.94 1t17 h ASP 102 Ca 0.00 -0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 1t17 h ASP 102 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 1t17 h ASP 102 CO 0.00 0.00 -0.43 0.00 -1.03 0.00 0.00 179.24 177.78 1t17 s ALA 103 N -3.22 3.86 0.09 4.15 0.00 -1.26 -4.47 121.76 120.91 1t17 s ALA 103 Ca 0.06 -1.83 0.09 0.00 0.00 0.00 0.00 51.96 50.29 1t17 s ALA 103 Cb 0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1t17 s ALA 103 CO 0.68 -0.11 -0.23 -0.08 0.00 0.00 0.00 175.76 176.02 1t17 s THR 104 N -2.42 2.45 -0.10 0.00 -1.32 -0.59 -1.66 115.64 111.99 1t17 s THR 104 Ca 0.44 -1.51 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 1t17 s THR 104 Cb -0.03 -2.05 -0.02 0.00 -1.51 0.00 0.00 72.50 68.88 1t17 s THR 104 CO 0.26 0.20 -0.09 -0.60 -2.21 0.00 0.00 174.62 172.19 1t17 s ARG 105 N -1.76 3.07 -0.10 7.08 6.06 0.77 -1.05 118.95 133.00 1t17 s ARG 105 Ca 0.14 -0.60 0.04 0.00 -2.50 0.00 0.00 55.73 52.81 1t17 s ARG 105 Cb -0.10 -2.64 0.00 0.00 0.06 0.00 0.00 34.95 32.27 1t17 s ARG 105 CO 0.06 0.46 -0.23 0.08 -2.50 0.00 0.00 175.30 173.16 1t17 s VAL 106 N -0.26 2.03 -0.27 7.11 1.01 -0.47 -0.25 120.40 129.30 1t17 s VAL 106 Ca 0.03 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 1t17 s VAL 106 Cb -0.13 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1t17 s VAL 106 CO 0.03 0.55 0.10 -1.61 0.00 0.00 0.00 175.10 174.16 1t17 s GLU 107 N 0.40 3.51 -0.42 2.72 2.02 -0.33 -2.02 118.70 124.58 1t17 s GLU 107 Ca -0.17 -0.59 -0.12 0.00 0.02 0.00 0.00 54.97 54.10 1t17 s GLU 107 Cb -0.18 -3.40 0.06 0.00 0.10 0.00 0.00 34.13 30.71 1t17 s GLU 107 CO 0.08 -0.28 0.30 -0.06 0.02 0.00 0.00 175.26 175.31 1t17 s PHE 108 N 1.60 3.27 -0.30 1.61 0.40 0.94 -1.88 117.98 123.62 1t17 s PHE 108 Ca 0.05 -1.07 -0.07 0.00 -0.60 0.00 0.00 56.93 55.25 1t17 s PHE 108 Cb -0.16 -2.85 0.01 0.00 0.51 0.00 0.00 43.02 40.53 1t17 s PHE 108 CO 0.04 -0.75 0.09 0.14 0.70 0.00 0.00 175.22 175.45 1t17 s VAL 109 N 1.56 4.02 -0.14 -0.44 -7.23 -0.78 -1.12 120.40 116.27 1t17 s VAL 109 Ca 0.03 -0.72 -0.02 0.00 -1.81 0.00 0.00 61.98 59.47 1t17 s VAL 109 Cb -0.22 -3.09 -0.02 0.00 0.56 0.00 0.00 36.38 33.61 1t17 s VAL 109 CO 0.06 0.05 -0.08 0.27 -0.31 0.00 0.00 175.10 175.08 1t17 s ILE 110 N 1.50 3.48 -0.09 -0.62 -5.25 -0.59 -1.58 121.20 118.05 1t17 s ILE 110 Ca 0.02 -0.51 -0.02 0.00 -0.99 0.00 0.00 60.65 59.16 1t17 s ILE 110 Cb -0.17 -2.50 0.03 0.00 2.95 0.00 0.00 42.46 42.77 1t17 s ILE 110 CO 0.03 0.51 0.01 -1.61 -1.79 0.00 0.00 174.94 172.09 1t17 s GLU 111 N 0.36 0.53 0.26 0.37 2.02 0.54 -1.46 118.70 121.32 1t17 s GLU 111 Ca -0.07 0.06 -0.03 0.00 0.02 0.00 0.00 54.97 54.95 1t17 s GLU 111 Cb -0.15 -1.10 -0.02 0.00 0.10 0.00 0.00 34.13 32.96 1t17 s GLU 111 CO 0.04 -0.36 0.31 -0.59 0.02 0.00 0.00 175.26 174.68 1t17 s PHE 112 N 1.98 1.06 -0.06 1.61 -0.12 -1.24 0.79 117.98 122.01 1t17 s PHE 112 Ca 0.04 -1.26 -0.01 0.00 -0.05 0.00 0.00 56.93 55.65 1t17 s PHE 112 Cb -0.13 -0.31 0.03 0.00 -0.63 0.00 0.00 43.02 41.98 1t17 s PHE 112 CO -0.05 -0.87 -0.00 0.00 -0.05 0.00 0.00 175.22 174.25 1t17 s ALA 113 N -3.77 0.61 0.40 1.99 0.00 -0.09 -3.46 121.76 117.44 1t17 s ALA 113 Ca 0.34 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.32 1t17 s ALA 113 Cb 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1t17 s ALA 113 CO 0.16 -0.33 0.52 -0.06 0.00 0.00 0.00 175.76 176.05 1t17 s PHE 114 N 1.68 2.85 -0.19 0.00 0.08 -1.26 -4.73 117.98 116.41 1t17 s PHE 114 Ca 0.00 -0.38 -0.16 0.00 0.12 0.00 0.00 56.93 56.51 1t17 s PHE 114 Cb -0.13 -2.28 -0.12 0.00 -0.57 0.00 0.00 43.02 39.92 1t17 s PHE 114 CO -0.04 -0.30 -0.01 1.63 -0.10 0.00 0.00 175.22 176.40 1t17 n LYS 115 N -1.77 0.53 -2.91 0.44 4.01 -1.26 -4.77 118.16 112.43 1t17 n LYS 115 Ca 0.06 0.51 -0.41 0.00 -0.51 0.00 0.00 58.31 57.95 1t17 n LYS 115 Cb 0.59 -1.68 -0.04 0.00 -0.51 0.00 0.00 35.03 33.39 1t17 n LYS 115 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1t17 s SER 116 N -6.51 7.00 0.41 4.39 0.01 -1.26 -4.92 113.70 112.82 1t17 s SER 116 Ca -0.25 1.22 0.15 0.00 1.31 0.00 0.00 55.95 58.38 1t17 s SER 116 Cb 0.06 -2.45 0.89 0.00 0.21 0.00 0.00 66.02 64.73 1t17 s SER 116 CO 0.45 -0.31 1.91 0.00 0.41 0.00 0.00 173.24 175.70 1t17 h ALA 117 N 7.14 1.48 -0.08 1.44 0.00 -1.99 0.24 119.26 127.49 1t17 h ALA 117 Ca -0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1t17 h ALA 117 Cb 1.16 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1t17 h ALA 117 CO 0.81 0.35 -0.10 -0.07 0.00 0.00 0.00 179.25 180.23 1t17 h LEU 118 N 0.00 0.23 -1.35 0.00 -0.00 -2.00 -2.90 115.31 109.28 1t17 h LEU 118 Ca -0.00 -0.51 -0.05 0.00 -0.00 0.00 0.00 57.88 57.32 1t17 h LEU 118 Cb 0.51 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.10 1t17 h LEU 118 CO 0.04 0.69 -0.23 -0.07 -0.00 0.00 0.00 178.44 178.86 1t17 h LEU 119 N -0.23 0.00 0.07 1.67 3.38 -1.89 -0.68 115.31 117.63 1t17 h LEU 119 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1t17 h LEU 119 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1t17 h LEU 119 CO 0.02 0.23 -0.09 -0.78 0.09 0.00 0.00 178.44 177.91 1t17 h ASP 120 N 0.00 -0.25 0.01 -0.43 -0.00 -0.35 1.09 116.42 116.49 1t17 h ASP 120 Ca -0.00 0.03 -0.22 0.00 -0.00 0.00 0.00 57.03 56.84 1t17 h ASP 120 Cb 0.64 0.09 0.01 0.00 -0.00 0.00 0.00 39.33 40.06 1t17 h ASP 120 CO 0.03 -0.14 -0.79 0.00 -0.00 0.00 0.00 179.24 178.33 1t17 h ALA 121 N 0.71 0.38 -0.20 -0.78 0.00 -1.33 0.31 119.26 118.37 1t17 h ALA 121 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1t17 h ALA 121 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1t17 h ALA 121 CO -0.04 0.71 0.13 1.98 0.00 0.00 0.00 179.25 182.03 1t17 h MET 122 N 0.44 0.26 -0.03 0.00 4.05 -0.80 0.80 114.93 119.64 1t17 h MET 122 Ca -0.05 -0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.19 1t17 h MET 122 Cb 1.41 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 32.16 1t17 h MET 122 CO 0.15 0.17 -0.60 -0.07 0.23 0.00 0.00 176.91 176.80 1t17 h LEU 123 N 0.27 0.59 -0.89 3.39 3.38 0.12 -2.77 115.31 119.39 1t17 h LEU 123 Ca 0.07 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1t17 h LEU 123 Cb -0.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1t17 h LEU 123 CO -0.02 1.22 0.00 0.00 0.09 0.00 0.00 178.44 179.74 1t17 n ALA 124 N -2.58 1.39 -0.06 1.53 0.00 0.11 -0.05 120.51 120.86 1t17 n ALA 124 Ca -0.10 0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 1t17 n ALA 124 Cb 0.66 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 2.17 -0.00 0.00 0.00 0.00 0.83 -3.31 119.26 118.94 1t17 h ALA 125 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1t17 h ALA 125 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1t17 h ALA 125 CO 0.00 -0.01 -0.24 -2.95 0.00 0.00 0.00 179.25 176.05 1t17 h ASN 126 N -1.00 0.00 -1.00 0.00 7.08 -1.19 -2.98 115.58 116.49 1t17 h ASN 126 Ca -0.00 0.00 0.34 0.00 -3.08 0.00 0.00 56.30 53.56 1t17 h ASN 126 Cb 0.60 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 36.68 1t17 h ASN 126 CO 0.00 0.24 0.54 1.62 -2.08 0.00 0.00 177.43 177.75 1t17 h VAL 127 N 0.00 0.21 -0.10 6.14 3.04 -0.55 1.12 116.25 126.10 1t17 h VAL 127 Ca -0.00 -0.08 -0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1t17 h VAL 127 Cb 0.70 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 29.94 1t17 h VAL 127 CO 0.03 0.04 0.05 -0.78 -1.01 0.00 0.00 177.57 175.90 1t17 h ASP 128 N 0.22 0.14 -0.35 3.17 1.82 -1.68 -0.46 116.42 119.29 1t17 h ASP 128 Ca 0.76 -0.14 0.05 0.00 -0.39 0.00 0.00 57.03 57.30 1t17 h ASP 128 Cb 1.80 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 41.73 1t17 h ASP 128 CO -0.66 0.24 0.09 0.03 -1.61 0.00 0.00 179.24 177.33 1t17 h ARG 129 N 0.03 0.21 -0.92 0.28 2.47 0.97 0.10 114.38 117.53 1t17 h ARG 129 Ca 0.04 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.80 1t17 h ARG 129 Cb 0.14 -0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.36 1t17 h ARG 129 CO -0.00 0.14 0.60 0.00 0.56 0.00 0.00 179.97 181.27 1t17 h ALA 130 N 1.25 1.46 -0.14 0.04 0.00 -0.52 0.14 119.26 121.49 1t17 h ALA 130 Ca 0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1t17 h ALA 130 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1t17 h ALA 130 CO -0.20 0.42 -0.23 0.00 0.00 0.00 0.00 179.25 179.24 1t17 h ALA 131 N 1.48 1.36 -0.31 0.00 0.00 0.37 0.33 119.26 122.50 1t17 h ALA 131 Ca 0.39 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1t17 h ALA 131 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1t17 h ALA 131 CO -0.14 0.44 -0.13 0.78 0.00 0.00 0.00 179.25 180.20 1t17 h GLY 132 N 0.92 0.70 0.91 0.00 0.00 0.17 0.21 103.07 105.98 1t17 h GLY 132 Ca 0.04 -0.62 -0.14 0.00 0.00 0.00 0.00 47.33 46.61 1t17 h GLY 132 CO 0.04 0.56 -0.46 0.07 0.00 0.00 0.00 176.54 176.74 1t17 h LYS 133 N 0.40 0.57 -0.69 4.80 2.10 -0.86 -1.29 116.57 121.61 1t17 h LYS 133 Ca 0.07 -0.42 -0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1t17 h LYS 133 Cb 0.65 0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.02 1t17 h LYS 133 CO 0.04 1.04 0.42 1.37 -2.00 0.00 0.00 179.45 180.32 1t17 h LEU 134 N 0.21 0.83 -0.34 7.07 8.10 -0.32 0.44 115.31 131.29 1t17 h LEU 134 Ca -0.02 -0.06 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 1t17 h LEU 134 Cb 1.09 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 41.08 1t17 h LEU 134 CO 0.10 0.64 0.15 0.40 -4.11 0.00 0.00 178.44 175.62 1t17 h ILE 135 N 0.94 1.17 -0.05 0.15 2.04 -0.54 -1.17 117.51 120.06 1t17 h ILE 135 Ca 0.25 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1t17 h ILE 135 Cb -0.04 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1t17 h ILE 135 CO -0.05 0.19 -0.19 0.00 0.00 0.00 0.00 178.15 178.10 1t17 h ALA 136 N 1.00 1.59 0.09 1.87 0.00 -0.68 -0.53 119.26 122.60 1t17 h ALA 136 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1t17 h ALA 136 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1t17 h ALA 136 CO -0.01 0.30 -0.05 0.00 0.00 0.00 0.00 179.25 179.49 1t17 h PHE 138 N -0.28 1.08 -0.57 0.00 3.57 -0.77 -1.10 116.94 118.87 1t17 h PHE 138 Ca -0.01 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1t17 h PHE 138 Cb 0.23 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1t17 h PHE 138 CO -0.02 0.75 0.14 1.49 -2.23 0.00 0.00 178.31 178.43 1t17 h GLU 139 N 1.09 0.92 -0.39 1.11 4.81 -0.88 -0.47 114.58 120.77 1t17 h GLU 139 Ca 0.28 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1t17 h GLU 139 Cb 0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1t17 h GLU 139 CO -0.05 0.86 0.25 0.00 -0.73 0.00 0.00 179.01 179.34 1t17 h ALA 140 N 1.02 0.50 -0.62 2.92 0.00 0.22 0.13 119.26 123.43 1t17 h ALA 140 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1t17 h ALA 140 Cb 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1t17 h ALA 140 CO 0.00 -0.07 0.26 0.00 0.00 0.00 0.00 179.25 179.44 1t17 h ARG 141 N 0.50 0.90 -0.69 0.00 3.08 -0.94 0.45 114.38 117.68 1t17 h ARG 141 Ca 0.15 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1t17 h ARG 141 Cb -0.03 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 1t17 h ARG 141 CO -0.05 0.73 0.27 0.00 -1.07 0.00 0.00 179.97 179.85 1t17 h ALA 142 N 1.40 0.90 -0.03 0.04 0.00 -0.21 0.18 119.26 121.54 1t17 h ALA 142 Ca 0.21 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1t17 h ALA 142 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1t17 h ALA 142 CO -0.02 0.53 -0.76 0.37 0.00 0.00 0.00 179.25 179.37 1t17 h GLN 143 N 0.99 0.21 -0.23 0.00 4.15 -0.30 -1.48 115.11 118.45 1t17 h GLN 143 Ca 0.23 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 1t17 h GLN 143 Cb 0.22 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1t17 h GLN 143 CO -0.02 0.87 -0.37 0.37 -1.93 0.00 0.00 178.83 177.75 1t17 h GLN 144 N 0.13 0.52 0.18 1.69 4.15 0.38 0.92 115.11 123.08 1t17 h GLN 144 Ca -0.03 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.14 1t17 h GLN 144 Cb 1.34 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1t17 h GLN 144 CO 0.12 0.81 -0.09 1.25 -1.93 0.00 0.00 178.83 178.99 1t17 h LEU 145 N 0.43 -0.21 -1.53 -2.39 6.46 -0.59 -2.93 115.31 114.55 1t17 h LEU 145 Ca 0.04 -0.29 -0.05 0.00 -0.12 0.00 0.00 57.88 57.46 1t17 h LEU 145 Cb 0.85 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1t17 h LEU 145 CO 0.07 0.34 -0.18 0.45 -0.62 0.00 0.00 178.44 178.50 1t17 h HIS 146 N -0.92 0.08 0.37 1.25 3.86 -1.29 -2.97 115.15 115.52 1t17 h HIS 146 Ca -0.03 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1t17 h HIS 146 Cb 0.49 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 1t17 h HIS 146 CO 0.07 0.26 -0.40 0.78 0.86 0.00 0.00 177.93 179.50 1t17 h GLY 147 N 0.66 -0.94 0.00 2.45 0.00 0.87 -3.50 103.07 102.61 1t17 h GLY 147 Ca 0.01 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1t17 h GLY 147 CO 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 176.54 176.25