#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 1.37 -4.13 2.03 -0.00 -1.18 -4.80 115.22 108.51 1t17 n HIS 2 Ca 0.00 0.82 -0.17 0.00 -0.00 0.00 0.00 57.72 58.37 1t17 n HIS 2 Cb 0.00 -2.26 -0.15 0.00 -0.00 0.00 0.00 29.99 27.57 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 1.21 0.52 0.01 -0.41 3.52 -1.26 -2.83 118.95 119.71 1t17 s ARG 3 Ca 0.92 -0.12 0.04 0.00 -0.13 0.00 0.00 55.73 56.44 1t17 s ARG 3 Cb -1.15 -0.55 -0.01 0.00 -1.56 0.00 0.00 34.95 31.68 1t17 s ARG 3 CO 0.58 0.02 -0.12 -1.01 -0.81 0.00 0.00 175.30 173.95 1t17 s HIS 4 N 0.37 1.10 0.08 5.12 3.76 -0.87 -5.03 115.29 119.82 1t17 s HIS 4 Ca -0.04 -0.25 0.08 0.00 -0.15 0.00 0.00 55.06 54.69 1t17 s HIS 4 Cb -0.08 -0.69 -0.04 0.00 1.11 0.00 0.00 32.58 32.89 1t17 s HIS 4 CO -0.00 -0.00 -0.16 0.54 -0.85 0.00 0.00 174.74 174.26 1t17 s VAL 5 N -0.47 2.93 -0.10 -0.90 0.11 -1.26 -1.51 120.40 119.21 1t17 s VAL 5 Ca 0.03 -1.31 -0.03 0.00 -2.93 0.00 0.00 61.98 57.74 1t17 s VAL 5 Cb -0.06 -2.30 0.04 0.00 -1.53 0.00 0.00 36.38 32.54 1t17 s VAL 5 CO 0.00 0.21 0.09 -0.69 -3.33 0.00 0.00 175.10 171.38 1t17 s VAL 6 N -1.06 -0.13 -0.15 2.04 1.01 -0.38 -4.99 120.40 116.74 1t17 s VAL 6 Ca 0.17 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1t17 s VAL 6 Cb -0.11 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.96 1t17 s VAL 6 CO 0.09 0.01 -0.18 -0.89 0.00 0.00 0.00 175.10 174.13 1t17 s THR 7 N 2.18 1.80 0.31 3.92 2.01 -1.26 -0.03 115.64 124.58 1t17 s THR 7 Ca 0.04 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1t17 s THR 7 Cb -0.13 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.68 1t17 s THR 7 CO -0.06 0.50 0.04 -1.59 -0.69 0.00 0.00 174.62 172.82 1t17 s LYS 8 N 1.17 1.63 -0.04 4.92 0.00 -0.01 -4.98 119.74 122.42 1t17 s LYS 8 Ca -0.00 -1.89 0.00 0.00 0.00 0.00 0.00 55.97 54.08 1t17 s LYS 8 Cb -0.14 -0.91 0.02 0.00 0.00 0.00 0.00 37.83 36.80 1t17 s LYS 8 CO -0.07 -0.15 -0.02 0.54 0.00 0.00 0.00 175.35 175.66 1t17 s VAL 9 N -3.25 0.33 -0.07 1.79 0.11 -1.26 -0.69 120.40 117.36 1t17 s VAL 9 Ca 0.35 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.42 1t17 s VAL 9 Cb 0.08 -0.40 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1t17 s VAL 9 CO 0.15 0.19 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.28 1t17 s LEU 10 N 1.07 1.26 -1.20 2.54 1.43 -0.26 -4.96 118.68 118.56 1t17 s LEU 10 Ca -0.09 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 1t17 s LEU 10 Cb -0.14 -0.64 -0.07 0.00 0.03 0.00 0.00 46.19 45.38 1t17 s LEU 10 CO -0.01 -0.07 2.40 -0.81 0.23 0.00 0.00 176.35 178.09 1t17 n PRO 11 N 4.39 2.66 -4.39 1.29 -0.04 -1.26 -1.68 135.00 135.97 1t17 n PRO 11 Ca -0.18 -1.85 -0.26 0.00 -0.04 0.00 0.00 63.50 61.17 1t17 n PRO 11 Cb 0.51 -2.69 -0.07 0.00 -0.04 0.00 0.00 33.50 31.21 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 4.45 0.39 -2.05 0.54 4.02 -1.26 -4.92 117.16 118.32 1t17 n TYR 12 Ca 0.58 -2.50 -0.30 0.00 -0.01 0.00 0.00 57.90 55.67 1t17 n TYR 12 Cb 0.21 -0.09 0.02 0.00 -0.02 0.00 0.00 39.34 39.46 1t17 n TYR 12 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1t17 s THR 13 N -2.96 4.39 -2.00 -0.72 -4.23 -1.26 -4.43 115.64 104.43 1t17 s THR 13 Ca 0.15 0.60 0.22 0.00 -1.18 0.00 0.00 61.69 61.47 1t17 s THR 13 Cb 0.01 -3.75 0.62 0.00 1.34 0.00 0.00 72.50 70.72 1t17 s THR 13 CO 0.11 -0.93 1.70 -0.81 -0.54 0.00 0.00 174.62 174.15 1t17 n PRO 14 N -2.70 0.75 -0.04 3.99 -0.04 -1.26 -3.08 135.00 132.62 1t17 n PRO 14 Ca 0.05 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1t17 n PRO 14 Cb 0.55 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.39 -0.22 3.54 1.82 -2.02 -2.86 116.42 117.06 1t17 h ASP 15 Ca 0.00 -0.57 0.06 0.00 -0.39 0.00 0.00 57.03 56.13 1t17 h ASP 15 Cb 0.00 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 1t17 h ASP 15 CO 0.00 0.89 0.52 1.56 -1.61 0.00 0.00 179.24 180.60 1t17 h GLN 16 N -0.10 0.00 -0.11 0.28 1.08 -1.95 0.39 115.11 114.70 1t17 h GLN 16 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1t17 h GLN 16 Cb 0.83 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1t17 h GLN 16 CO 0.05 0.00 -0.01 -0.07 -0.95 0.00 0.00 178.83 177.85 1t17 h LEU 17 N 0.00 0.20 -1.69 1.46 3.38 -1.71 -2.67 115.31 114.28 1t17 h LEU 17 Ca 0.10 -0.33 0.39 0.00 0.09 0.00 0.00 57.88 58.13 1t17 h LEU 17 Cb 1.14 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 1t17 h LEU 17 CO -0.00 0.49 0.91 0.15 0.09 0.00 0.00 178.44 180.08 1t17 h PHE 18 N -0.09 0.29 0.07 1.13 3.57 -0.31 1.39 116.94 122.99 1t17 h PHE 18 Ca 0.03 0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.28 1t17 h PHE 18 Cb 0.39 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.07 1t17 h PHE 18 CO 0.04 -0.04 -1.11 0.93 -2.23 0.00 0.00 178.31 175.89 1t17 h GLU 19 N 0.11 0.46 -0.18 1.11 5.08 -1.52 -2.12 114.58 117.51 1t17 h GLU 19 Ca 0.71 -0.58 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1t17 h GLU 19 Cb 2.45 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 31.89 1t17 h GLU 19 CO -0.19 1.23 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.78 1t17 h LEU 20 N 0.21 0.49 -1.53 1.33 3.38 0.18 1.27 115.31 120.64 1t17 h LEU 20 Ca -0.13 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 1t17 h LEU 20 Cb 1.78 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1t17 h LEU 20 CO 0.20 0.88 -0.04 0.58 0.09 0.00 0.00 178.44 180.15 1t17 h VAL 21 N 0.11 1.14 -0.28 1.22 2.07 0.28 -0.95 116.25 119.83 1t17 h VAL 21 Ca 0.03 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1t17 h VAL 21 Cb 0.75 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1t17 h VAL 21 CO 0.05 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1t17 n GLY 22 N -1.09 1.51 0.38 2.17 0.00 -0.80 -4.35 105.19 103.02 1t17 n GLY 22 Ca -0.00 -0.73 0.16 0.00 0.00 0.00 0.00 46.02 45.45 1t17 n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1t17 h ASP 23 N 4.55 0.50 0.23 1.61 1.82 0.31 2.05 116.42 127.48 1t17 h ASP 23 Ca 0.00 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1t17 h ASP 23 Cb 0.99 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1t17 h ASP 23 CO 0.00 0.23 0.00 1.33 -1.61 0.00 0.00 179.24 179.19 1t17 n VAL 24 N -4.53 1.18 -0.62 2.25 0.24 -1.26 -1.24 118.33 114.35 1t17 n VAL 24 Ca 0.18 0.51 0.00 0.00 -2.04 0.00 0.00 64.34 62.99 1t17 n VAL 24 Cb 0.58 -1.47 0.00 0.00 -1.47 0.00 0.00 33.84 31.48 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 -2.03 0.75 0.00 -1.34 2.03 0.49 -4.04 116.55 112.42 1t17 n ASP 25 Ca 0.00 -1.37 0.00 0.00 0.52 0.00 0.00 54.79 53.94 1t17 n ASP 25 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.19 0.00 -3.85 -1.67 0.00 0.58 -4.95 120.51 110.43 1t17 n ALA 26 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1t17 n ALA 26 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.80 -0.58 0.00 4.02 -1.25 -4.66 117.16 113.88 1t17 n TYR 27 Ca 0.00 0.12 -0.05 0.00 -0.01 0.00 0.00 57.90 57.96 1t17 n TYR 27 Cb 0.00 -1.66 -0.07 0.00 -0.02 0.00 0.00 39.34 37.59 1t17 n TYR 27 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1t17 n PRO 28 N -3.37 1.17 -3.62 -0.72 -0.04 -1.26 -4.69 135.00 122.47 1t17 n PRO 28 Ca -0.10 -0.42 -0.01 0.00 -0.04 0.00 0.00 63.50 62.93 1t17 n PRO 28 Cb 0.36 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1t17 n PRO 28 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1t17 s LYS 29 N 1.05 0.06 6.11 0.54 -2.85 -1.26 -5.13 119.74 118.26 1t17 s LYS 29 Ca 0.28 -0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 1t17 s LYS 29 Cb 0.13 0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 1t17 s LYS 29 CO 0.00 -0.03 0.00 0.34 0.10 0.00 0.00 175.35 175.76 1t17 n PHE 30 N -0.16 0.00 -3.54 1.78 -0.00 -1.26 -4.92 117.46 109.36 1t17 n PHE 30 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.29 1t17 n PHE 30 Cb 0.59 0.02 0.00 0.00 -0.00 0.00 0.00 39.48 40.09 1t17 n PHE 30 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1t17 n VAL 31 N 0.00 -5.83 -0.00 -2.13 0.24 -1.26 -4.90 118.33 104.45 1t17 n VAL 31 Ca 0.00 -0.15 -0.17 0.00 -2.04 0.00 0.00 64.34 61.98 1t17 n VAL 31 Cb 0.00 -4.38 -0.10 0.00 -1.47 0.00 0.00 33.84 27.89 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 -0.15 0.49 -1.36 7.34 0.13 -1.97 -3.08 132.00 133.40 1t17 h PRO 32 Ca -0.42 -0.48 0.40 0.00 -0.87 0.00 0.00 66.00 64.63 1t17 h PRO 32 Cb 1.26 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.46 1t17 h PRO 32 CO 0.35 1.12 1.04 0.11 -0.23 0.00 0.00 178.00 180.39 1t17 h TRP 33 N 0.04 0.00 -1.79 1.56 0.09 -1.90 -3.36 115.95 110.59 1t17 h TRP 33 Ca -0.07 0.00 -0.59 0.00 0.09 0.00 0.00 58.89 58.32 1t17 h TRP 33 Cb 1.31 0.00 -0.11 0.00 0.08 0.00 0.00 29.16 30.44 1t17 h TRP 33 CO 0.13 0.00 -0.59 -1.50 0.09 0.00 0.00 178.44 176.57 1t17 s ILE 34 N -4.85 2.41 0.00 0.12 2.07 -1.16 -4.37 121.20 115.42 1t17 s ILE 34 Ca -0.05 -1.92 0.00 0.00 -1.41 0.00 0.00 60.65 57.28 1t17 s ILE 34 Cb 0.23 -2.88 0.00 0.00 0.13 0.00 0.00 42.46 39.94 1t17 s ILE 34 CO 0.78 -0.11 0.00 1.07 -1.91 0.00 0.00 174.94 174.77 1t17 n THR 35 N -1.02 0.00 -3.53 4.00 5.66 -1.24 -4.70 114.28 113.45 1t17 n THR 35 Ca -0.04 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.69 1t17 n THR 35 Cb 0.64 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.39 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 1.74 -0.01 1.09 0.00 -1.26 -4.93 107.32 103.05 1t17 s GLY 36 Ca 0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 44.72 43.69 1t17 s GLY 36 CO 0.00 -0.68 0.62 -3.16 0.00 0.00 0.00 173.10 169.87 1t17 s MET 37 N -3.56 1.05 -0.28 2.90 0.00 -1.25 -0.75 119.30 117.40 1t17 s MET 37 Ca 0.40 0.08 -0.16 0.00 0.00 0.00 0.00 55.69 56.01 1t17 s MET 37 Cb -0.11 0.49 0.10 0.00 0.00 0.00 0.00 34.83 35.31 1t17 s MET 37 CO 0.30 -0.35 0.77 1.03 0.00 0.00 0.00 175.02 176.77 1t17 s ARG 38 N -1.64 0.62 -0.12 3.16 1.81 -0.43 -4.99 118.95 117.37 1t17 s ARG 38 Ca -0.09 1.07 -0.01 0.00 -1.72 0.00 0.00 55.73 54.99 1t17 s ARG 38 Cb -0.01 0.12 0.03 0.00 -0.45 0.00 0.00 34.95 34.65 1t17 s ARG 38 CO 0.06 -0.13 -0.06 0.95 -0.68 0.00 0.00 175.30 175.44 1t17 s THR 39 N 1.56 0.91 0.00 0.02 -4.23 -1.26 -0.67 115.64 111.97 1t17 s THR 39 Ca -0.10 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1t17 s THR 39 Cb -0.05 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1t17 s THR 39 CO -0.19 0.29 0.00 -2.67 -0.54 0.00 0.00 174.62 171.52 1t17 n TRP 40 N 4.97 0.00 -2.22 3.99 2.14 -1.00 -4.98 117.44 120.35 1t17 n TRP 40 Ca -0.11 0.00 -0.00 0.00 2.07 0.00 0.00 57.50 59.46 1t17 n TRP 40 Cb 0.50 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.99 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 0.00 -5.41 0.00 -0.67 3.02 -1.26 -2.03 115.26 108.90 1t17 n ASN 41 Ca 0.00 0.86 0.00 0.00 -0.03 0.00 0.00 54.58 55.41 1t17 n ASN 41 Cb 0.00 -3.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 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 0.45 1.17 3.12 7.41 0.00 -1.26 -2.35 105.19 113.73 1t17 n GLY 42 Ca -0.01 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 4.82 0.60 -0.10 1.61 1.70 0.12 -4.98 118.95 122.71 1t17 s ARG 43 Ca 0.00 -0.77 -0.01 0.00 -0.47 0.00 0.00 55.73 54.49 1t17 s ARG 43 Cb 0.00 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.64 1t17 s ARG 43 CO 0.00 -0.15 -0.06 0.54 -1.08 0.00 0.00 175.30 174.55 1t17 s VAL 44 N -2.69 0.88 -0.03 4.99 0.11 -1.26 -1.00 120.40 121.40 1t17 s VAL 44 Ca -0.04 -0.20 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1t17 s VAL 44 Cb -0.01 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1t17 s VAL 44 CO -0.05 0.34 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.36 1t17 s ASP 45 N 1.72 1.20 0.27 3.54 -1.08 -0.17 -5.02 116.67 117.14 1t17 s ASP 45 Ca 0.04 -0.18 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 1t17 s ASP 45 Cb -0.13 -0.40 0.00 0.00 -1.46 0.00 0.00 42.92 40.94 1t17 s ASP 45 CO -0.07 0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.27 1t17 n GLY 46 N 3.49 2.24 1.95 2.66 0.00 -1.26 0.39 105.19 114.66 1t17 n GLY 46 Ca -0.20 -0.13 -0.20 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 6.96 5.14 -2.84 4.61 0.00 -1.26 -4.85 120.51 128.26 1t17 n ALA 47 Ca 0.00 -2.13 -0.14 0.00 0.00 0.00 0.00 53.44 51.17 1t17 n ALA 47 Cb 0.00 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 17.90 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 -2.77 0.48 -0.02 0.00 1.01 0.16 -0.28 120.40 118.99 1t17 s VAL 48 Ca 0.41 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1t17 s VAL 48 Cb 0.33 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 36.19 1t17 s VAL 48 CO 0.03 -0.25 0.08 -0.55 0.00 0.00 0.00 175.10 174.40 1t17 s SER 49 N -1.17 -0.00 -0.06 3.32 0.15 0.15 -1.00 113.70 115.08 1t17 s SER 49 Ca -0.07 -0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.52 1t17 s SER 49 Cb -0.08 0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1t17 s SER 49 CO 0.00 -0.16 0.12 -0.89 1.20 0.00 0.00 173.24 173.52 1t17 s THR 50 N -0.55 -0.15 0.28 6.45 2.01 -0.17 0.13 115.64 123.64 1t17 s THR 50 Ca -0.06 0.30 -0.11 0.00 0.31 0.00 0.00 61.69 62.12 1t17 s THR 50 Cb -0.04 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.25 1t17 s THR 50 CO 0.00 0.12 0.52 0.68 -0.69 0.00 0.00 174.62 175.25 1t17 s VAL 51 N 1.78 0.00 0.32 3.82 -7.23 -0.44 0.11 120.40 118.75 1t17 s VAL 51 Ca -0.02 -1.39 -0.27 0.00 -1.81 0.00 0.00 61.98 58.49 1t17 s VAL 51 Cb -0.12 -2.35 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 1t17 s VAL 51 CO -0.05 0.00 1.00 -1.81 -0.31 0.00 0.00 175.10 173.93 1t17 s ASP 52 N -3.06 7.23 -0.26 4.85 -0.00 -0.86 0.53 116.67 125.10 1t17 s ASP 52 Ca 0.23 2.00 0.02 0.00 -0.00 0.00 0.00 52.55 54.80 1t17 s ASP 52 Cb -0.01 -2.60 0.07 0.00 -0.00 0.00 0.00 42.92 40.38 1t17 s ASP 52 CO 0.11 -0.15 -0.05 0.00 -0.00 0.00 0.00 175.17 175.08 1t17 s ALA 53 N -1.45 2.31 -0.46 5.23 0.00 0.57 -2.37 121.76 125.59 1t17 s ALA 53 Ca 0.49 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 1t17 s ALA 53 Cb -0.24 -1.58 0.09 0.00 0.00 0.00 0.00 23.12 21.40 1t17 s ALA 53 CO 0.30 -1.29 0.34 -2.00 0.00 0.00 0.00 175.76 173.11 1t17 s GLU 54 N 1.22 2.73 0.17 0.00 -6.30 0.15 -0.47 118.70 116.21 1t17 s GLU 54 Ca -0.04 -1.52 0.07 0.00 -2.50 0.00 0.00 54.97 50.98 1t17 s GLU 54 Cb -0.19 -3.96 -0.04 0.00 0.00 0.00 0.00 34.13 29.93 1t17 s GLU 54 CO -0.07 -1.06 0.01 0.00 0.02 0.00 0.00 175.26 174.16 1t17 s ALA 55 N 1.49 3.23 0.51 6.30 0.00 -0.07 -1.31 121.76 131.91 1t17 s ALA 55 Ca 0.04 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1t17 s ALA 55 Cb -0.25 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 1t17 s ALA 55 CO 0.03 0.48 0.03 1.04 0.00 0.00 0.00 175.76 177.35 1t17 n GLN 56 N -0.14 0.69 -3.82 0.00 6.02 0.07 -1.35 117.38 118.86 1t17 n GLN 56 Ca -0.10 -3.79 -0.19 0.00 -0.01 0.00 0.00 57.00 52.92 1t17 n GLN 56 Cb 0.55 1.24 -0.17 0.00 1.02 0.00 0.00 30.24 32.88 1t17 n GLN 56 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1t17 s VAL 57 N -2.96 0.12 -0.02 5.09 -7.23 -1.06 -3.68 120.40 110.66 1t17 s VAL 57 Ca 0.05 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1t17 s VAL 57 Cb 0.00 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.65 1t17 s VAL 57 CO 0.03 0.17 -0.02 0.61 -0.31 0.00 0.00 175.10 175.59 1t17 n GLY 58 N 4.63 -0.03 1.47 2.32 0.00 -1.26 -4.07 105.19 108.26 1t17 n GLY 58 Ca -0.17 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1t17 n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t17 n PHE 59 N -2.55 1.46 0.19 1.61 3.01 -1.26 -3.79 117.46 116.13 1t17 n PHE 59 Ca -0.04 -0.51 0.09 0.00 1.01 0.00 0.00 57.45 58.01 1t17 n PHE 59 Cb 0.54 -0.39 0.17 0.00 -0.01 0.00 0.00 39.48 39.79 1t17 n PHE 59 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1t17 n SER 60 N 0.43 3.09 -0.33 4.37 2.88 -1.26 -4.93 113.62 117.87 1t17 n SER 60 Ca 0.19 -1.90 -0.04 0.00 -1.33 0.00 0.00 58.87 55.79 1t17 n SER 60 Cb 0.91 -0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 64.14 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 1.12 -0.00 -3.64 0.66 7.35 -1.25 -4.89 117.46 116.82 1t17 n PHE 61 Ca 0.15 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.55 1t17 n PHE 61 Cb 0.51 -2.28 -0.15 0.00 0.35 0.00 0.00 39.48 37.90 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 -0.99 1.35 -0.85 -2.13 2.96 -1.26 -5.07 118.68 112.68 1t17 s LEU 62 Ca 0.00 -1.42 -0.25 0.00 -0.22 0.00 0.00 54.13 52.24 1t17 s LEU 62 Cb 0.00 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 1t17 s LEU 62 CO 0.00 -0.42 1.85 -0.13 -1.32 0.00 0.00 176.35 176.33 1t17 s ARG 63 N 1.87 2.71 0.11 1.98 3.00 -1.26 -4.62 118.95 122.73 1t17 s ARG 63 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 55.73 55.55 1t17 s ARG 63 Cb -0.17 -4.94 -0.02 0.00 0.00 0.00 0.00 34.95 29.83 1t17 s ARG 63 CO -0.30 -3.08 0.16 -1.21 0.00 0.00 0.00 175.30 170.87 1t17 s GLU 64 N 6.75 0.91 0.21 3.54 2.02 -1.26 -5.05 118.70 125.82 1t17 s GLU 64 Ca 0.66 -1.14 0.08 0.00 0.02 0.00 0.00 54.97 54.59 1t17 s GLU 64 Cb -0.07 0.32 -0.05 0.00 0.10 0.00 0.00 34.13 34.43 1t17 s GLU 64 CO 0.03 -0.29 -0.15 -1.59 0.02 0.00 0.00 175.26 173.28 1t17 s LYS 65 N -3.93 1.34 -0.06 1.61 0.00 -1.26 -2.57 119.74 114.87 1t17 s LYS 65 Ca 0.12 -1.59 -0.18 0.00 0.00 0.00 0.00 55.97 54.31 1t17 s LYS 65 Cb 0.05 -1.15 0.04 0.00 0.00 0.00 0.00 37.83 36.77 1t17 s LYS 65 CO -0.06 0.19 0.42 -0.06 0.00 0.00 0.00 175.35 175.85 1t17 s PHE 66 N -2.94 -0.36 0.03 1.78 0.08 -0.46 -4.75 117.98 111.37 1t17 s PHE 66 Ca 0.23 0.68 0.07 0.00 0.12 0.00 0.00 56.93 58.02 1t17 s PHE 66 Cb -0.01 0.18 -0.02 0.00 -0.57 0.00 0.00 43.02 42.60 1t17 s PHE 66 CO 0.07 -0.40 -0.19 0.00 -0.10 0.00 0.00 175.22 174.60 1t17 s ALA 67 N -0.92 1.60 0.35 5.36 0.00 -1.26 -0.89 121.76 126.01 1t17 s ALA 67 Ca -0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 1t17 s ALA 67 Cb -0.04 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1t17 s ALA 67 CO 0.05 0.36 0.52 0.95 0.00 0.00 0.00 175.76 177.64 1t17 s THR 68 N -0.73 0.00 -0.43 0.00 -4.23 0.38 -2.59 115.64 108.04 1t17 s THR 68 Ca 0.06 -1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 1t17 s THR 68 Cb -0.08 -2.67 0.07 0.00 1.34 0.00 0.00 72.50 71.15 1t17 s THR 68 CO 0.01 0.00 0.30 -0.13 -0.54 0.00 0.00 174.62 174.27 1t17 s ARG 69 N -2.94 2.80 0.12 3.99 1.81 0.73 0.21 118.95 125.67 1t17 s ARG 69 Ca 0.28 -1.34 -0.21 0.00 -1.72 0.00 0.00 55.73 52.74 1t17 s ARG 69 Cb -0.01 -3.92 -0.07 0.00 -0.45 0.00 0.00 34.95 30.50 1t17 s ARG 69 CO 0.19 -0.93 0.66 0.54 -0.68 0.00 0.00 175.30 175.07 1t17 s VAL 70 N 1.54 4.59 -0.09 3.52 0.11 0.19 -1.33 120.40 128.92 1t17 s VAL 70 Ca 0.03 1.39 -0.01 0.00 -2.93 0.00 0.00 61.98 60.46 1t17 s VAL 70 Cb -0.23 -3.98 0.03 0.00 -1.53 0.00 0.00 36.38 30.67 1t17 s VAL 70 CO 0.05 0.50 -0.04 -0.13 -3.33 0.00 0.00 175.10 172.15 1t17 s ARG 71 N -1.23 1.12 0.05 1.54 0.52 0.23 -1.33 118.95 119.85 1t17 s ARG 71 Ca 0.33 -0.10 0.07 0.00 -0.52 0.00 0.00 55.73 55.51 1t17 s ARG 71 Cb -0.20 -1.31 -0.03 0.00 0.52 0.00 0.00 34.95 33.92 1t17 s ARG 71 CO 0.22 -0.28 -0.17 1.03 0.02 0.00 0.00 175.30 176.12 1t17 s ARG 72 N 1.80 2.08 -0.10 3.54 0.52 0.12 -1.48 118.95 125.44 1t17 s ARG 72 Ca 0.05 -0.98 -0.04 0.00 -0.52 0.00 0.00 55.73 54.24 1t17 s ARG 72 Cb -0.12 -2.21 0.05 0.00 0.52 0.00 0.00 34.95 33.18 1t17 s ARG 72 CO -0.07 0.54 0.17 0.34 0.02 0.00 0.00 175.30 176.30 1t17 s ASP 73 N -1.56 0.76 0.00 0.23 -1.08 -1.11 0.31 116.67 114.22 1t17 s ASP 73 Ca 0.16 0.33 0.25 0.00 -0.52 0.00 0.00 52.55 52.77 1t17 s ASP 73 Cb -0.11 0.32 0.59 0.00 -1.46 0.00 0.00 42.92 42.27 1t17 s ASP 73 CO 0.06 -0.25 1.46 2.29 0.52 0.00 0.00 175.17 179.26 1t17 n LYS 74 N 5.33 0.55 -0.02 4.34 2.85 0.62 -0.91 118.16 130.91 1t17 n LYS 74 Ca -0.05 -0.34 0.02 0.00 -1.05 0.00 0.00 58.31 56.89 1t17 n LYS 74 Cb 0.50 -1.49 -0.14 0.00 -0.65 0.00 0.00 35.03 33.25 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 -0.92 0.23 -0.02 -5.58 9.92 -1.21 -4.28 116.55 114.69 1t17 n ASP 75 Ca 0.09 0.10 0.05 0.00 -0.53 0.00 0.00 54.79 54.51 1t17 n ASP 75 Cb 0.35 1.21 -0.13 0.00 -0.64 0.00 0.00 41.12 41.91 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 -2.43 2.43 -3.13 2.24 0.00 -1.24 -5.00 120.51 113.37 1t17 n ALA 76 Ca -0.14 -0.52 -0.20 0.00 0.00 0.00 0.00 53.44 52.58 1t17 n ALA 76 Cb 0.81 -0.48 0.05 0.00 0.00 0.00 0.00 19.45 19.82 1t17 n ALA 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1t17 n ARG 77 N -2.18 -5.34 -4.19 0.00 3.00 -0.09 -5.00 116.66 102.86 1t17 n ARG 77 Ca -0.07 0.76 -0.13 0.00 -0.00 0.00 0.00 57.85 58.41 1t17 n ARG 77 Cb 0.55 -5.41 -0.10 0.00 0.00 0.00 0.00 32.46 27.49 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1t17 s SER 78 N -2.96 1.40 -0.03 6.15 1.04 -1.17 -4.18 113.70 113.95 1t17 s SER 78 Ca 0.36 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.90 1t17 s SER 78 Cb -0.16 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1t17 s SER 78 CO 0.45 -0.35 -0.11 -0.63 0.98 0.00 0.00 173.24 173.58 1t17 s ILE 79 N -3.04 0.92 0.00 -1.02 -1.09 -0.42 -2.75 121.20 113.80 1t17 s ILE 79 Ca 0.10 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1t17 s ILE 79 Cb 0.01 -0.81 -0.00 0.00 -1.58 0.00 0.00 42.46 40.08 1t17 s ILE 79 CO -0.02 0.28 -0.01 -0.62 -1.23 0.00 0.00 174.94 173.34 1t17 s ASP 80 N 0.19 0.14 -0.04 3.58 2.15 -0.55 -1.19 116.67 120.95 1t17 s ASP 80 Ca -0.04 -0.09 -0.01 0.00 0.43 0.00 0.00 52.55 52.84 1t17 s ASP 80 Cb -0.09 0.00 0.03 0.00 -0.30 0.00 0.00 42.92 42.56 1t17 s ASP 80 CO 0.01 -0.03 0.03 -0.69 -0.17 0.00 0.00 175.17 174.32 1t17 s VAL 81 N -0.24 0.01 0.10 1.11 1.01 0.52 0.76 120.40 123.67 1t17 s VAL 81 Ca -0.02 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.29 1t17 s VAL 81 Cb -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1t17 s VAL 81 CO -0.00 0.16 -0.01 -0.44 0.00 0.00 0.00 175.10 174.81 1t17 s SER 82 N 1.63 4.96 0.38 3.32 0.01 -0.44 -1.14 113.70 122.43 1t17 s SER 82 Ca -0.02 -0.21 -0.26 0.00 1.31 0.00 0.00 55.95 56.77 1t17 s SER 82 Cb -0.13 -1.16 -0.09 0.00 0.21 0.00 0.00 66.02 64.86 1t17 s SER 82 CO -0.03 0.16 1.21 -0.22 0.41 0.00 0.00 173.24 174.78 1t17 s LEU 83 N -2.38 4.26 0.05 2.44 1.98 -1.16 -0.20 118.68 123.67 1t17 s LEU 83 Ca 0.26 2.46 -0.01 0.00 -2.89 0.00 0.00 54.13 53.95 1t17 s LEU 83 Cb -0.11 -3.91 -0.00 0.00 0.66 0.00 0.00 46.19 42.83 1t17 s LEU 83 CO 0.18 -0.65 -0.01 -0.11 -1.89 0.00 0.00 176.35 173.87 1t17 n LEU 84 N 0.29 0.69 0.00 -0.68 0.00 -1.22 -4.74 117.00 111.34 1t17 n LEU 84 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 56.01 56.13 1t17 n LEU 84 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 43.65 1t17 n LEU 84 CO 0.53 -0.41 -0.14 0.00 0.00 0.00 0.00 177.39 177.37 1t17 n TYR 85 N -3.33 0.00 0.00 1.96 9.36 -1.15 -5.02 117.16 118.98 1t17 n TYR 85 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1t17 n TYR 85 Cb 0.23 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1t17 n GLY 86 N 1.81 0.38 0.00 2.98 0.00 -1.07 0.73 105.19 110.02 1t17 n GLY 86 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 3.45 0.56 -2.63 1.61 -0.04 -1.26 -4.76 135.00 131.93 1t17 n PRO 87 Ca 0.00 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.42 1t17 n PRO 87 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.12 -0.85 0.07 0.54 -0.00 0.22 -4.91 117.46 111.40 1t17 n PHE 88 Ca 0.15 0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.94 1t17 n PHE 88 Cb 0.13 -2.87 0.00 0.00 -0.00 0.00 0.00 39.48 36.74 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 -2.10 0.00 0.00 -4.13 4.81 -1.26 -5.15 118.16 110.33 1t17 n LYS 89 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1t17 n LYS 89 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1t17 n LYS 89 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1t17 n ARG 90 N -2.85 0.00 -3.57 1.64 0.63 -1.26 -5.05 116.66 106.20 1t17 n ARG 90 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1t17 n ARG 90 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 1t17 n ARG 90 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1t17 s LEU 91 N 0.00 -0.28 0.03 6.15 0.20 -1.26 -2.35 118.68 121.17 1t17 s LEU 91 Ca 0.00 0.19 -0.28 0.00 0.69 0.00 0.00 54.13 54.74 1t17 s LEU 91 Cb 0.00 1.70 0.07 0.00 -0.43 0.00 0.00 46.19 47.53 1t17 s LEU 91 CO 0.00 -0.34 0.66 0.21 -0.29 0.00 0.00 176.35 176.59 1t17 s ASN 92 N -1.58 -0.62 -0.20 3.68 2.47 -1.11 -3.01 114.94 114.57 1t17 s ASN 92 Ca 0.03 0.43 -0.26 0.00 0.42 0.00 0.00 52.86 53.48 1t17 s ASN 92 Cb -0.01 0.56 0.07 0.00 -1.45 0.00 0.00 41.25 40.42 1t17 s ASN 92 CO -0.03 -0.75 0.69 0.20 -3.72 0.00 0.00 177.10 173.50 1t17 s ASN 93 N -1.80 -0.71 -0.15 -4.21 0.01 -0.29 -0.12 114.94 107.67 1t17 s ASN 93 Ca -0.06 1.19 -0.30 0.00 -0.71 0.00 0.00 52.86 52.98 1t17 s ASN 93 Cb -0.00 1.15 0.11 0.00 0.41 0.00 0.00 41.25 42.92 1t17 s ASN 93 CO 0.01 -0.36 0.91 -0.83 -1.51 0.00 0.00 177.10 175.32 1t17 s GLY 94 N -0.13 -0.35 0.06 0.66 0.00 -0.97 0.20 107.32 106.79 1t17 s GLY 94 Ca -0.04 1.90 0.08 0.00 0.00 0.00 0.00 44.72 46.66 1t17 s GLY 94 CO 0.04 1.11 -0.22 -0.98 0.00 0.00 0.00 173.10 173.05 1t17 s TRP 95 N -0.96 1.90 0.05 1.90 0.52 -0.33 -1.53 118.94 120.48 1t17 s TRP 95 Ca -0.04 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.73 1t17 s TRP 95 Cb -0.01 -1.11 -0.02 0.00 -1.15 0.00 0.00 33.47 31.18 1t17 s TRP 95 CO 0.03 0.13 -0.11 1.03 0.02 0.00 0.00 176.95 178.06 1t17 s ARG 96 N -1.38 0.68 -0.29 4.98 1.81 0.20 -1.30 118.95 123.65 1t17 s ARG 96 Ca 0.08 -0.78 -0.03 0.00 -1.72 0.00 0.00 55.73 53.28 1t17 s ARG 96 Cb -0.09 -0.59 0.10 0.00 -0.45 0.00 0.00 34.95 33.92 1t17 s ARG 96 CO 0.03 0.13 0.11 -0.06 -0.68 0.00 0.00 175.30 174.83 1t17 s PHE 97 N -1.16 0.80 -0.18 -0.53 0.08 -1.26 -0.81 117.98 114.92 1t17 s PHE 97 Ca -0.05 -1.15 0.00 0.00 0.12 0.00 0.00 56.93 55.86 1t17 s PHE 97 Cb -0.09 -1.17 0.01 0.00 -0.57 0.00 0.00 43.02 41.20 1t17 s PHE 97 CO 0.01 -0.83 -0.17 1.41 -0.10 0.00 0.00 175.22 175.54 1t17 s MET 98 N 1.93 3.08 0.53 0.44 1.75 0.23 -4.95 119.30 122.30 1t17 s MET 98 Ca 0.09 -0.79 -0.18 0.00 -1.25 0.00 0.00 55.69 53.55 1t17 s MET 98 Cb -0.16 -2.63 -0.07 0.00 2.84 0.00 0.00 34.83 34.81 1t17 s MET 98 CO -0.31 -0.16 1.04 -1.25 -0.65 0.00 0.00 175.02 173.69 1t17 s PRO 99 N 1.21 3.62 -0.46 4.11 0.04 -1.26 0.59 135.00 142.85 1t17 s PRO 99 Ca 0.03 1.27 0.06 0.00 0.04 0.00 0.00 61.00 62.40 1t17 s PRO 99 Cb -0.14 -2.07 0.21 0.00 0.04 0.00 0.00 34.50 32.54 1t17 s PRO 99 CO -0.09 -0.57 0.65 0.39 0.04 0.00 0.00 177.00 177.42 1t17 n GLU 100 N -1.42 0.58 0.00 4.56 1.02 -0.66 -4.78 120.64 119.93 1t17 n GLU 100 Ca 0.09 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.76 1t17 n GLU 100 Cb 0.53 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 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 2.18 0.95 0.15 0.62 0.00 -1.26 -4.06 105.19 103.76 1t17 n GLY 101 Ca 0.19 -1.40 0.04 0.00 0.00 0.00 0.00 46.02 44.84 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 0.51 0.00 -1.71 1.61 3.04 -1.99 -3.45 116.42 114.43 1t17 h ASP 102 Ca 0.00 0.00 -0.46 0.00 -3.24 0.00 0.00 57.03 53.33 1t17 h ASP 102 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1t17 h ASP 102 CO 0.00 0.44 -0.36 0.00 -2.04 0.00 0.00 179.24 177.28 1t17 s ALA 103 N -3.00 4.16 0.10 4.15 0.00 -1.26 -4.55 121.76 121.37 1t17 s ALA 103 Ca 0.04 -1.60 0.10 0.00 0.00 0.00 0.00 51.96 50.50 1t17 s ALA 103 Cb 0.07 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1t17 s ALA 103 CO 0.74 -0.09 -0.25 -0.08 0.00 0.00 0.00 175.76 176.07 1t17 s THR 104 N -2.28 2.33 -0.12 0.00 -1.32 -0.67 -1.66 115.64 111.91 1t17 s THR 104 Ca 0.46 -1.58 -0.02 0.00 -1.21 0.00 0.00 61.69 59.34 1t17 s THR 104 Cb -0.08 -1.99 -0.03 0.00 -1.51 0.00 0.00 72.50 68.89 1t17 s THR 104 CO 0.30 0.19 -0.07 -0.60 -2.21 0.00 0.00 174.62 172.23 1t17 s ARG 105 N -1.78 3.35 -0.03 7.08 3.52 0.20 -1.10 118.95 130.19 1t17 s ARG 105 Ca 0.14 -0.57 0.07 0.00 -0.13 0.00 0.00 55.73 55.24 1t17 s ARG 105 Cb -0.10 -2.76 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 1t17 s ARG 105 CO 0.05 0.35 -0.25 0.08 -0.81 0.00 0.00 175.30 174.73 1t17 s VAL 106 N 0.03 1.98 -0.07 7.11 1.01 0.13 0.75 120.40 131.34 1t17 s VAL 106 Ca -0.01 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1t17 s VAL 106 Cb -0.14 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.60 1t17 s VAL 106 CO 0.03 0.56 -0.13 -1.61 0.00 0.00 0.00 175.10 173.95 1t17 s GLU 107 N -0.46 1.75 -0.15 2.72 2.02 0.01 -0.83 118.70 123.76 1t17 s GLU 107 Ca 0.06 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.62 1t17 s GLU 107 Cb -0.11 -1.44 0.02 0.00 0.10 0.00 0.00 34.13 32.70 1t17 s GLU 107 CO 0.00 0.03 -0.15 0.12 0.02 0.00 0.00 175.26 175.28 1t17 s PHE 108 N 0.67 2.25 -0.29 1.61 5.36 0.96 0.58 117.98 129.12 1t17 s PHE 108 Ca -0.14 -1.26 -0.07 0.00 -0.96 0.00 0.00 56.93 54.49 1t17 s PHE 108 Cb -0.16 -1.63 -0.00 0.00 -0.34 0.00 0.00 43.02 40.89 1t17 s PHE 108 CO 0.04 -0.68 0.09 0.14 -1.46 0.00 0.00 175.22 173.35 1t17 s VAL 109 N 1.41 4.14 -0.11 3.12 -7.23 -0.58 -1.25 120.40 119.90 1t17 s VAL 109 Ca 0.04 -0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.65 1t17 s VAL 109 Cb -0.13 -3.08 -0.03 0.00 0.56 0.00 0.00 36.38 33.69 1t17 s VAL 109 CO -0.10 0.14 0.02 0.27 -0.31 0.00 0.00 175.10 175.12 1t17 s ILE 110 N 1.54 4.50 0.01 -0.62 -0.00 -0.57 -2.30 121.20 123.77 1t17 s ILE 110 Ca 0.04 -0.17 0.02 0.00 -0.00 0.00 0.00 60.65 60.54 1t17 s ILE 110 Cb -0.17 -2.93 -0.01 0.00 -0.00 0.00 0.00 42.46 39.36 1t17 s ILE 110 CO 0.03 0.58 -0.06 -1.61 -0.00 0.00 0.00 174.94 173.89 1t17 s GLU 111 N -0.67 0.45 -0.08 0.37 2.02 0.83 -2.04 118.70 119.57 1t17 s GLU 111 Ca 0.11 -0.38 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 1t17 s GLU 111 Cb -0.12 -0.35 0.12 0.00 0.10 0.00 0.00 34.13 33.88 1t17 s GLU 111 CO 0.02 0.09 0.97 -0.59 0.02 0.00 0.00 175.26 175.77 1t17 s PHE 112 N -0.56 -0.32 -0.14 1.61 -0.12 -1.13 -2.75 117.98 114.57 1t17 s PHE 112 Ca -0.02 0.34 0.02 0.00 -0.05 0.00 0.00 56.93 57.22 1t17 s PHE 112 Cb -0.05 0.50 0.01 0.00 -0.63 0.00 0.00 43.02 42.86 1t17 s PHE 112 CO -0.00 -0.43 -0.21 0.00 -0.05 0.00 0.00 175.22 174.53 1t17 s ALA 113 N -2.34 2.27 0.38 1.99 0.00 -0.99 -3.13 121.76 119.95 1t17 s ALA 113 Ca 0.03 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.98 1t17 s ALA 113 Cb -0.01 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 1t17 s ALA 113 CO -0.05 -0.03 0.49 -0.06 0.00 0.00 0.00 175.76 176.11 1t17 s PHE 114 N 0.81 2.92 -0.21 0.00 0.08 -1.26 -4.89 117.98 115.43 1t17 s PHE 114 Ca -0.07 -0.34 -0.18 0.00 0.12 0.00 0.00 56.93 56.46 1t17 s PHE 114 Cb -0.15 -2.17 -0.15 0.00 -0.57 0.00 0.00 43.02 39.97 1t17 s PHE 114 CO -0.02 -0.19 0.06 1.63 -0.10 0.00 0.00 175.22 176.60 1t17 n LYS 115 N -1.70 0.55 -2.74 0.44 4.01 -1.26 -4.88 118.16 112.57 1t17 n LYS 115 Ca 0.04 0.52 -0.42 0.00 -0.51 0.00 0.00 58.31 57.94 1t17 n LYS 115 Cb 0.59 -1.70 -0.03 0.00 -0.51 0.00 0.00 35.03 33.38 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 -6.73 7.35 0.19 4.39 0.15 -1.26 -4.94 113.70 112.85 1t17 s SER 116 Ca -0.28 1.64 -0.05 0.00 0.70 0.00 0.00 55.95 57.96 1t17 s SER 116 Cb 0.06 -2.56 0.11 0.00 -1.71 0.00 0.00 66.02 61.93 1t17 s SER 116 CO 0.51 -0.22 1.54 0.00 1.20 0.00 0.00 173.24 176.27 1t17 h ALA 117 N 6.63 0.73 -0.08 5.45 0.00 -1.98 0.28 119.26 130.30 1t17 h ALA 117 Ca -0.41 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.02 1t17 h ALA 117 Cb 1.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1t17 h ALA 117 CO 0.75 0.66 -0.02 -0.07 0.00 0.00 0.00 179.25 180.57 1t17 h LEU 118 N 0.56 0.15 -1.52 0.00 -0.00 -2.00 -2.66 115.31 109.84 1t17 h LEU 118 Ca 0.04 -0.37 -0.04 0.00 -0.00 0.00 0.00 57.88 57.51 1t17 h LEU 118 Cb 0.96 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.57 1t17 h LEU 118 CO 0.09 0.49 -0.21 -0.07 -0.00 0.00 0.00 178.44 178.73 1t17 h LEU 119 N -0.18 0.00 -0.04 1.67 3.38 -1.95 -0.02 115.31 118.17 1t17 h LEU 119 Ca 0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1t17 h LEU 119 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1t17 h LEU 119 CO 0.01 0.21 -0.09 -0.78 0.09 0.00 0.00 178.44 177.88 1t17 h ASP 120 N 0.00 -0.26 -0.01 -0.43 -0.00 -0.09 0.87 116.42 116.50 1t17 h ASP 120 Ca -0.00 0.04 -0.23 0.00 -0.00 0.00 0.00 57.03 56.84 1t17 h ASP 120 Cb 0.54 0.12 0.02 0.00 -0.00 0.00 0.00 39.33 40.01 1t17 h ASP 120 CO 0.03 -0.12 -0.91 0.00 -0.00 0.00 0.00 179.24 178.24 1t17 h ALA 121 N 0.88 0.12 -0.72 -0.78 0.00 -1.29 -0.51 119.26 116.98 1t17 h ALA 121 Ca 0.05 -0.66 0.08 0.00 0.00 0.00 0.00 54.91 54.38 1t17 h ALA 121 Cb 0.19 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1t17 h ALA 121 CO -0.12 0.59 0.39 1.98 0.00 0.00 0.00 179.25 182.10 1t17 h MET 122 N 0.27 0.67 -0.03 0.00 4.05 -0.73 0.60 114.93 119.76 1t17 h MET 122 Ca -0.11 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.12 1t17 h MET 122 Cb 1.57 -0.15 0.01 0.00 -0.80 0.00 0.00 31.60 32.23 1t17 h MET 122 CO 0.18 0.44 -0.56 -0.07 0.23 0.00 0.00 176.91 177.13 1t17 h LEU 123 N 0.69 0.55 -1.22 3.39 3.38 0.73 -2.88 115.31 119.94 1t17 h LEU 123 Ca 0.34 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1t17 h LEU 123 Cb 0.27 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1t17 h LEU 123 CO -0.22 1.19 0.00 0.00 0.09 0.00 0.00 178.44 179.50 1t17 n ALA 124 N -2.57 1.25 -0.04 1.53 0.00 -0.20 -0.30 120.51 120.18 1t17 n ALA 124 Ca -0.10 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1t17 n ALA 124 Cb 0.64 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 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 2.09 -0.05 0.00 0.00 0.00 0.40 -3.29 119.26 118.40 1t17 h ALA 125 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1t17 h ALA 125 Cb 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1t17 h ALA 125 CO 0.00 -0.07 -0.24 -2.95 0.00 0.00 0.00 179.25 175.99 1t17 h ASN 126 N -0.96 0.00 -0.99 0.00 7.08 -1.25 -2.89 115.58 116.56 1t17 h ASN 126 Ca -0.00 0.00 0.36 0.00 -3.08 0.00 0.00 56.30 53.57 1t17 h ASN 126 Cb 0.58 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 36.66 1t17 h ASN 126 CO 0.01 0.24 0.50 1.62 -2.08 0.00 0.00 177.43 177.72 1t17 h VAL 127 N 0.00 0.15 -0.16 6.14 3.04 -0.73 1.40 116.25 126.09 1t17 h VAL 127 Ca -0.00 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.63 1t17 h VAL 127 Cb 0.60 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.86 1t17 h VAL 127 CO 0.03 0.03 0.07 -0.78 -1.01 0.00 0.00 177.57 175.91 1t17 h ASP 128 N 0.16 0.22 -0.12 3.17 1.82 -1.66 0.21 116.42 120.21 1t17 h ASP 128 Ca 0.77 -0.15 0.02 0.00 -0.39 0.00 0.00 57.03 57.27 1t17 h ASP 128 Cb 1.87 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.80 1t17 h ASP 128 CO -0.70 0.32 0.02 0.03 -1.61 0.00 0.00 179.24 177.29 1t17 h ARG 129 N 0.12 0.07 -0.34 0.28 2.47 0.15 0.25 114.38 117.37 1t17 h ARG 129 Ca 0.06 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1t17 h ARG 129 Cb 0.16 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1t17 h ARG 129 CO -0.01 0.04 0.17 0.00 0.56 0.00 0.00 179.97 180.74 1t17 h ALA 130 N 1.09 1.66 0.00 0.04 0.00 -0.30 0.70 119.26 122.46 1t17 h ALA 130 Ca 0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1t17 h ALA 130 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1t17 h ALA 130 CO -0.08 0.28 -0.53 0.00 0.00 0.00 0.00 179.25 178.92 1t17 h ALA 131 N 1.72 1.07 -0.06 0.00 0.00 0.57 -0.55 119.26 122.01 1t17 h ALA 131 Ca 0.12 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1t17 h ALA 131 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1t17 h ALA 131 CO -0.02 0.66 -0.26 0.78 0.00 0.00 0.00 179.25 180.41 1t17 h GLY 132 N 1.71 0.32 1.01 0.00 0.00 0.16 -1.43 103.07 104.84 1t17 h GLY 132 Ca -0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1t17 h GLY 132 CO 0.07 0.38 0.05 0.07 0.00 0.00 0.00 176.54 177.12 1t17 h LYS 133 N -0.23 0.90 -0.13 4.80 2.10 -1.03 -0.73 116.57 122.24 1t17 h LYS 133 Ca -0.01 -0.26 0.01 0.00 -2.00 0.00 0.00 60.65 58.38 1t17 h LYS 133 Cb 0.90 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1t17 h LYS 133 CO 0.05 0.89 0.07 1.25 -2.00 0.00 0.00 179.45 179.72 1t17 h LEU 134 N 0.77 0.11 -1.03 7.07 7.12 -1.13 0.11 115.31 128.34 1t17 h LEU 134 Ca 0.16 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.22 1t17 h LEU 134 Cb 0.45 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.50 1t17 h LEU 134 CO 0.02 0.08 0.65 0.40 -0.13 0.00 0.00 178.44 179.46 1t17 h ILE 135 N 0.15 1.14 -0.29 4.05 2.04 -1.06 0.72 117.51 124.26 1t17 h ILE 135 Ca 0.05 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1t17 h ILE 135 Cb 0.00 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.88 1t17 h ILE 135 CO -0.03 0.22 -0.06 0.00 0.00 0.00 0.00 178.15 178.29 1t17 h ALA 136 N 1.44 1.37 0.19 1.87 0.00 -0.30 -0.59 119.26 123.24 1t17 h ALA 136 Ca 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1t17 h ALA 136 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1t17 h ALA 136 CO -0.14 0.43 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 1t17 h PHE 138 N -0.38 1.21 0.12 0.00 3.57 -0.90 0.03 116.94 120.60 1t17 h PHE 138 Ca -0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1t17 h PHE 138 Cb 0.29 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1t17 h PHE 138 CO -0.03 0.68 -0.06 1.49 -2.23 0.00 0.00 178.31 178.17 1t17 h GLU 139 N 1.24 -0.16 -0.99 1.11 4.81 -0.80 -0.27 114.58 119.52 1t17 h GLU 139 Ca 0.40 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.75 1t17 h GLU 139 Cb 0.04 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 1t17 h GLU 139 CO -0.13 0.07 0.63 0.00 -0.73 0.00 0.00 179.01 178.85 1t17 h ALA 140 N 0.48 1.50 -0.70 2.92 0.00 -0.20 0.47 119.26 123.74 1t17 h ALA 140 Ca -0.02 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1t17 h ALA 140 Cb 0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1t17 h ALA 140 CO 0.03 0.28 0.17 0.00 0.00 0.00 0.00 179.25 179.73 1t17 h ARG 141 N 1.04 1.11 -0.75 0.00 3.08 -0.71 0.43 114.38 118.57 1t17 h ARG 141 Ca 0.47 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1t17 h ARG 141 Cb 0.39 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1t17 h ARG 141 CO -0.23 0.98 0.43 0.00 -1.07 0.00 0.00 179.97 180.08 1t17 h ALA 142 N 1.12 0.96 -0.03 0.04 0.00 0.86 0.26 119.26 122.47 1t17 h ALA 142 Ca 0.22 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1t17 h ALA 142 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1t17 h ALA 142 CO 0.00 0.46 -0.75 0.37 0.00 0.00 0.00 179.25 179.33 1t17 h GLN 143 N 1.04 0.22 -0.27 0.00 4.15 -0.72 -0.25 115.11 119.28 1t17 h GLN 143 Ca 0.27 -0.20 -0.12 0.00 0.77 0.00 0.00 58.65 59.37 1t17 h GLN 143 Cb 0.01 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1t17 h GLN 143 CO -0.05 0.87 -0.32 0.37 -1.93 0.00 0.00 178.83 177.77 1t17 h GLN 144 N 0.15 0.58 0.11 1.69 4.15 0.52 1.45 115.11 123.75 1t17 h GLN 144 Ca -0.03 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.13 1t17 h GLN 144 Cb 1.32 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1t17 h GLN 144 CO 0.12 0.83 -0.05 1.25 -1.93 0.00 0.00 178.83 179.04 1t17 h LEU 145 N 0.49 -0.12 -1.49 -2.39 6.46 -0.43 -3.29 115.31 114.54 1t17 h LEU 145 Ca 0.06 -0.28 -0.05 0.00 -0.12 0.00 0.00 57.88 57.49 1t17 h LEU 145 Cb 0.80 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1t17 h LEU 145 CO 0.07 0.48 -0.17 0.45 -0.62 0.00 0.00 178.44 178.64 1t17 h HIS 146 N -0.99 0.12 -6.89 1.25 3.86 -1.08 -3.46 115.15 107.95 1t17 h HIS 146 Ca -0.01 -0.01 -0.56 0.00 -1.16 0.00 0.00 60.37 58.62 1t17 h HIS 146 Cb 0.39 -0.03 -0.19 0.00 1.06 0.00 0.00 27.41 28.64 1t17 h HIS 146 CO 0.08 0.29 -0.88 0.41 0.86 0.00 0.00 177.93 178.68 1t17 n GLY 147 N -0.90 -0.11 0.00 2.45 0.00 0.50 -5.05 105.19 102.08 1t17 n GLY 147 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1t17 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32