#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 2.04 -3.98 1.12 -0.00 -1.25 -4.81 115.22 108.34 1t17 n HIS 2 Ca 0.00 0.44 -0.35 0.00 -0.00 0.00 0.00 57.72 57.82 1t17 n HIS 2 Cb 0.00 -2.49 -0.14 0.00 -0.00 0.00 0.00 29.99 27.35 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 3.95 3.31 -0.13 -0.41 3.52 -1.26 -3.63 118.95 124.30 1t17 s ARG 3 Ca 0.99 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 55.91 1t17 s ARG 3 Cb -1.01 -2.92 -0.02 0.00 -1.56 0.00 0.00 34.95 29.44 1t17 s ARG 3 CO 0.63 -0.18 -0.07 -1.01 -0.81 0.00 0.00 175.30 173.85 1t17 s HIS 4 N 1.40 2.95 -0.13 5.12 3.76 -0.11 -4.99 115.29 123.28 1t17 s HIS 4 Ca 0.05 -0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 54.58 1t17 s HIS 4 Cb -0.14 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 1t17 s HIS 4 CO -0.05 -0.01 0.06 0.08 -0.85 0.00 0.00 174.74 173.97 1t17 s VAL 5 N 0.13 4.82 -0.19 -0.90 1.01 -1.26 -1.42 120.40 122.59 1t17 s VAL 5 Ca -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1t17 s VAL 5 Cb -0.14 -3.10 0.06 0.00 0.00 0.00 0.00 36.38 33.20 1t17 s VAL 5 CO 0.03 0.56 0.07 -0.69 0.00 0.00 0.00 175.10 175.07 1t17 s VAL 6 N -0.48 0.23 -0.16 2.92 1.01 -0.83 -5.03 120.40 118.06 1t17 s VAL 6 Ca 0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1t17 s VAL 6 Cb -0.12 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1t17 s VAL 6 CO 0.02 -0.28 -0.10 -0.89 0.00 0.00 0.00 175.10 173.86 1t17 s THR 7 N 1.99 3.20 0.19 3.92 2.01 -1.26 -0.37 115.64 125.31 1t17 s THR 7 Ca 0.01 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.46 1t17 s THR 7 Cb -0.17 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1t17 s THR 7 CO -0.10 0.49 -0.05 -1.59 -0.69 0.00 0.00 174.62 172.68 1t17 s LYS 8 N 0.75 1.18 -0.05 4.92 0.00 -0.41 -5.02 119.74 121.11 1t17 s LYS 8 Ca -0.04 -1.56 -0.00 0.00 0.00 0.00 0.00 55.97 54.37 1t17 s LYS 8 Cb -0.15 -0.59 0.03 0.00 0.00 0.00 0.00 37.83 37.12 1t17 s LYS 8 CO 0.02 -0.02 -0.01 0.08 0.00 0.00 0.00 175.35 175.42 1t17 s VAL 9 N -3.40 0.31 -0.10 1.79 1.01 -1.26 -0.89 120.40 117.86 1t17 s VAL 9 Ca 0.22 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1t17 s VAL 9 Cb 0.04 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1t17 s VAL 9 CO 0.04 0.21 -0.09 -0.76 0.00 0.00 0.00 175.10 174.50 1t17 s LEU 10 N 1.39 1.28 -0.69 3.92 1.43 -0.39 -4.94 118.68 120.68 1t17 s LEU 10 Ca -0.04 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1t17 s LEU 10 Cb -0.13 -0.84 -0.13 0.00 0.03 0.00 0.00 46.19 45.12 1t17 s LEU 10 CO -0.02 -0.09 2.64 -0.81 0.23 0.00 0.00 176.35 178.29 1t17 n PRO 11 N 4.72 2.22 -4.45 1.29 -0.04 -1.26 -1.65 135.00 135.83 1t17 n PRO 11 Ca -0.15 -1.32 -0.30 0.00 -0.04 0.00 0.00 63.50 61.69 1t17 n PRO 11 Cb 0.50 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 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 3.36 1.04 -2.30 0.54 4.01 -1.26 -4.93 117.16 117.63 1t17 n TYR 12 Ca 0.47 -2.30 -0.28 0.00 -0.16 0.00 0.00 57.90 55.63 1t17 n TYR 12 Cb 0.40 -0.31 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 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 -2.68 4.31 -1.67 -0.72 -4.23 -1.26 -4.53 115.64 104.85 1t17 s THR 13 Ca 0.01 0.32 0.23 0.00 -1.18 0.00 0.00 61.69 61.07 1t17 s THR 13 Cb -0.00 -3.69 0.52 0.00 1.34 0.00 0.00 72.50 70.67 1t17 s THR 13 CO 0.00 -0.77 1.77 -0.81 -0.54 0.00 0.00 174.62 174.27 1t17 n PRO 14 N -2.56 0.51 -0.03 3.99 -0.04 -1.26 -3.02 135.00 132.59 1t17 n PRO 14 Ca 0.04 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 1t17 n PRO 14 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.33 -0.63 3.54 1.82 -2.02 -3.07 116.42 116.39 1t17 h ASP 15 Ca 0.00 -0.68 0.18 0.00 -0.39 0.00 0.00 57.03 56.14 1t17 h ASP 15 Cb 0.12 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 1t17 h ASP 15 CO 0.00 0.95 0.48 1.56 -1.61 0.00 0.00 179.24 180.62 1t17 h GLN 16 N -0.28 0.00 -0.60 0.28 1.08 -1.94 0.38 115.11 114.03 1t17 h GLN 16 Ca -0.02 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 1t17 h GLN 16 Cb 0.96 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 1t17 h GLN 16 CO 0.06 0.00 0.03 -0.07 -0.95 0.00 0.00 178.83 177.90 1t17 h LEU 17 N 0.00 1.01 -1.20 1.46 3.38 -1.69 -2.65 115.31 115.61 1t17 h LEU 17 Ca 0.30 -0.29 0.31 0.00 0.09 0.00 0.00 57.88 58.29 1t17 h LEU 17 Cb 1.25 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.61 1t17 h LEU 17 CO -0.00 1.05 0.66 0.15 0.09 0.00 0.00 178.44 180.39 1t17 h PHE 18 N 0.93 0.77 0.00 1.13 3.04 -0.24 1.70 116.94 124.27 1t17 h PHE 18 Ca 0.17 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 62.02 1t17 h PHE 18 Cb 0.51 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 1t17 h PHE 18 CO 0.04 -0.06 -0.65 0.93 -2.02 0.00 0.00 178.31 176.55 1t17 h GLU 19 N 0.35 0.00 0.08 1.11 5.08 -1.51 -2.76 114.58 116.92 1t17 h GLU 19 Ca 0.69 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.84 1t17 h GLU 19 Cb 1.72 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.99 1t17 h GLU 19 CO -0.44 0.65 -0.87 -0.07 -1.00 0.00 0.00 179.01 177.27 1t17 h LEU 20 N 0.00 0.63 -1.67 1.33 3.38 0.22 1.75 115.31 120.95 1t17 h LEU 20 Ca -0.01 -0.83 0.05 0.00 0.09 0.00 0.00 57.88 57.18 1t17 h LEU 20 Cb 1.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1t17 h LEU 20 CO 0.08 1.40 0.31 0.58 0.09 0.00 0.00 178.44 180.90 1t17 h VAL 21 N -0.05 0.99 -0.22 1.22 2.07 0.86 -1.18 116.25 119.93 1t17 h VAL 21 Ca -0.13 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1t17 h VAL 21 Cb 1.60 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1t17 h VAL 21 CO 0.17 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.44 1t17 n GLY 22 N -1.51 2.45 0.33 2.17 0.00 -1.04 -4.66 105.19 102.94 1t17 n GLY 22 Ca 0.06 -0.26 0.26 0.00 0.00 0.00 0.00 46.02 46.08 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 1.42 0.45 -0.94 1.61 3.58 0.40 2.41 116.42 125.34 1t17 h ASP 23 Ca 0.00 0.21 0.27 0.00 0.42 0.00 0.00 57.03 57.93 1t17 h ASP 23 Cb 0.62 0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.81 1t17 h ASP 23 CO 0.00 -0.22 1.04 -0.37 -2.88 0.00 0.00 179.24 176.81 1t17 h VAL 24 N 0.23 0.10 0.00 2.25 -1.51 -1.81 -2.01 116.25 113.49 1t17 h VAL 24 Ca 0.76 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.23 1t17 h VAL 24 Cb 1.81 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1t17 h VAL 24 CO -0.65 0.00 -0.62 -0.67 -1.23 0.00 0.00 177.57 174.39 1t17 n ASP 25 N -3.42 1.08 -0.03 4.19 -0.08 0.57 -4.36 116.55 114.51 1t17 n ASP 25 Ca 0.21 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.47 1t17 n ASP 25 Cb 1.33 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.78 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 -0.28 -0.88 -1.67 0.00 0.35 -3.40 119.26 113.39 1t17 h ALA 26 Ca 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.15 1t17 h ALA 26 Cb 0.62 0.83 0.01 0.00 0.00 0.00 0.00 17.79 19.26 1t17 h ALA 26 CO 0.00 -0.31 0.53 0.66 0.00 0.00 0.00 179.25 180.13 1t17 n TYR 27 N -3.09 1.41 0.00 0.00 4.02 -0.78 -4.89 117.16 113.82 1t17 n TYR 27 Ca -0.00 1.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.88 1t17 n TYR 27 Cb 0.04 -1.93 0.00 0.00 -0.02 0.00 0.00 39.34 37.42 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 3.21 0.00 0.00 -0.72 -0.04 -1.26 -4.96 135.00 131.23 1t17 n PRO 28 Ca 0.26 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1t17 n PRO 28 Cb -0.04 -0.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1t17 n PRO 28 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1t17 n LYS 29 N -0.52 3.92 0.00 0.54 4.81 -1.26 -5.02 118.16 120.62 1t17 n LYS 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1t17 n LYS 29 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1t17 n LYS 29 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1t17 n PHE 30 N 0.00 0.00 -3.16 5.64 7.35 -1.26 -4.95 117.46 121.08 1t17 n PHE 30 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 1t17 n PHE 30 Cb 0.00 0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.85 1t17 n PHE 30 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1t17 n VAL 31 N 0.00 -9.22 0.01 -2.13 0.31 -1.26 -4.93 118.33 101.10 1t17 n VAL 31 Ca 0.00 -0.19 -0.18 0.00 -0.01 0.00 0.00 64.34 63.96 1t17 n VAL 31 Cb 0.00 -6.37 -0.10 0.00 -0.91 0.00 0.00 33.84 26.46 1t17 n VAL 31 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1t17 h PRO 32 N 0.38 0.64 0.00 5.55 0.13 -1.97 -2.91 132.00 133.82 1t17 h PRO 32 Ca -0.09 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1t17 h PRO 32 Cb 1.06 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1t17 h PRO 32 CO 0.31 1.23 0.20 0.11 -0.23 0.00 0.00 178.00 179.62 1t17 h TRP 33 N 0.29 0.00 -1.62 1.56 5.08 -1.92 -3.39 115.95 115.95 1t17 h TRP 33 Ca -0.09 0.00 -0.62 0.00 1.08 0.00 0.00 58.89 59.26 1t17 h TRP 33 Cb 1.48 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.51 1t17 h TRP 33 CO 0.11 0.00 -0.51 -1.50 -1.28 0.00 0.00 178.44 175.26 1t17 s ILE 34 N -3.88 0.79 0.00 0.12 2.07 -1.10 -4.69 121.20 114.51 1t17 s ILE 34 Ca -0.03 -2.00 0.00 0.00 -1.41 0.00 0.00 60.65 57.21 1t17 s ILE 34 Cb 0.08 -2.22 0.00 0.00 0.13 0.00 0.00 42.46 40.45 1t17 s ILE 34 CO 0.26 0.00 0.00 1.07 -1.91 0.00 0.00 174.94 174.36 1t17 n THR 35 N -1.09 0.00 -3.50 4.00 5.66 -1.25 -4.68 114.28 113.42 1t17 n THR 35 Ca -0.12 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.59 1t17 n THR 35 Cb 0.66 0.00 -0.04 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 -0.86 1.97 -0.03 1.09 0.00 -1.26 -4.93 107.32 103.31 1t17 s GLY 36 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 1t17 s GLY 36 CO 0.00 -0.50 0.67 -3.16 0.00 0.00 0.00 173.10 170.11 1t17 s MET 37 N -3.22 1.08 -0.28 2.90 0.00 -1.24 -0.92 119.30 117.63 1t17 s MET 37 Ca 0.42 0.17 -0.21 0.00 0.00 0.00 0.00 55.69 56.08 1t17 s MET 37 Cb -0.11 0.51 0.10 0.00 0.00 0.00 0.00 34.83 35.33 1t17 s MET 37 CO 0.27 -0.35 0.85 0.50 0.00 0.00 0.00 175.02 176.29 1t17 s ARG 38 N -1.48 0.62 -0.12 3.16 6.06 -0.63 -4.95 118.95 121.61 1t17 s ARG 38 Ca -0.10 0.89 -0.01 0.00 -2.50 0.00 0.00 55.73 54.01 1t17 s ARG 38 Cb -0.00 0.22 0.03 0.00 0.06 0.00 0.00 34.95 35.27 1t17 s ARG 38 CO 0.07 -0.10 -0.04 0.95 -2.50 0.00 0.00 175.30 173.68 1t17 s THR 39 N 0.88 0.83 -0.08 4.11 -4.23 -1.26 -0.70 115.64 115.19 1t17 s THR 39 Ca -0.04 -0.29 -0.31 0.00 -1.18 0.00 0.00 61.69 59.88 1t17 s THR 39 Cb -0.05 -0.97 0.11 0.00 1.34 0.00 0.00 72.50 72.93 1t17 s THR 39 CO -0.10 0.23 1.37 -1.66 -0.54 0.00 0.00 174.62 173.93 1t17 s TRP 40 N 1.77 0.00 -0.14 3.99 -2.14 -0.88 -4.99 118.94 116.56 1t17 s TRP 40 Ca 0.03 -0.02 -0.09 0.00 2.66 0.00 0.00 56.10 58.68 1t17 s TRP 40 Cb -0.13 0.51 0.04 0.00 -3.10 0.00 0.00 33.47 30.78 1t17 s TRP 40 CO -0.07 -0.05 0.19 0.09 -2.66 0.00 0.00 176.95 174.44 1t17 n ASN 41 N -0.92 -0.77 0.00 -2.66 3.02 -1.26 -1.08 115.26 111.59 1t17 n ASN 41 Ca 0.04 0.99 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1t17 n ASN 41 Cb 0.59 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 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 1.26 -0.79 3.11 7.41 0.00 -1.26 -0.76 105.19 114.17 1t17 n GLY 42 Ca -0.32 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.79 0.65 -0.09 1.61 1.70 0.88 -4.98 118.95 117.93 1t17 s ARG 43 Ca 0.00 -1.09 0.00 0.00 -0.47 0.00 0.00 55.73 54.18 1t17 s ARG 43 Cb 0.00 0.24 0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1t17 s ARG 43 CO 0.00 -0.15 -0.07 0.54 -1.08 0.00 0.00 175.30 174.55 1t17 s VAL 44 N -3.67 0.86 -0.02 4.99 0.11 -1.26 -1.31 120.40 120.10 1t17 s VAL 44 Ca 0.04 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1t17 s VAL 44 Cb 0.06 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1t17 s VAL 44 CO -0.09 0.33 -0.02 -0.62 -3.33 0.00 0.00 175.10 171.36 1t17 s ASP 45 N 1.44 0.56 0.45 3.54 -1.08 -0.33 -5.02 116.67 116.22 1t17 s ASP 45 Ca -0.01 -0.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.95 1t17 s ASP 45 Cb -0.13 -0.22 0.00 0.00 -1.46 0.00 0.00 42.92 41.11 1t17 s ASP 45 CO -0.04 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.22 1t17 n GLY 46 N 3.72 2.48 1.94 2.66 0.00 -1.26 0.36 105.19 115.10 1t17 n GLY 46 Ca -0.22 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 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 7.62 5.03 -2.72 4.61 0.00 -1.26 -4.86 120.51 128.93 1t17 n ALA 47 Ca 0.00 -2.19 -0.18 0.00 0.00 0.00 0.00 53.44 51.08 1t17 n ALA 47 Cb 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.70 0.95 -0.11 0.00 1.01 0.16 -0.08 120.40 119.62 1t17 s VAL 48 Ca 0.42 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1t17 s VAL 48 Cb 0.35 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.87 1t17 s VAL 48 CO 0.05 -0.15 0.24 -0.44 0.00 0.00 0.00 175.10 174.80 1t17 s SER 49 N -1.38 -0.10 -0.09 3.32 0.01 -0.09 -1.19 113.70 114.19 1t17 s SER 49 Ca -0.02 0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.78 1t17 s SER 49 Cb -0.09 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.61 1t17 s SER 49 CO 0.01 -0.18 -0.13 -0.89 0.41 0.00 0.00 173.24 172.46 1t17 s THR 50 N 1.53 1.26 0.27 1.44 2.01 -0.43 -0.21 115.64 121.52 1t17 s THR 50 Ca -0.07 -0.51 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 1t17 s THR 50 Cb -0.11 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 1t17 s THR 50 CO -0.08 0.39 0.49 0.68 -0.69 0.00 0.00 174.62 175.41 1t17 s VAL 51 N 0.97 0.00 0.44 3.82 -7.23 -0.49 -0.08 120.40 117.83 1t17 s VAL 51 Ca -0.08 -1.41 -0.22 0.00 -1.81 0.00 0.00 61.98 58.46 1t17 s VAL 51 Cb -0.15 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 1t17 s VAL 51 CO -0.00 0.00 1.04 -1.81 -0.31 0.00 0.00 175.10 174.01 1t17 s ASP 52 N -3.05 6.59 -0.24 4.85 -0.00 0.06 0.33 116.67 125.21 1t17 s ASP 52 Ca 0.23 1.96 -0.01 0.00 -0.00 0.00 0.00 52.55 54.73 1t17 s ASP 52 Cb -0.01 -2.57 0.07 0.00 -0.00 0.00 0.00 42.92 40.41 1t17 s ASP 52 CO 0.11 -0.61 0.03 0.00 -0.00 0.00 0.00 175.17 174.70 1t17 s ALA 53 N -1.84 1.45 -0.55 5.23 0.00 0.50 -2.08 121.76 124.47 1t17 s ALA 53 Ca 0.62 -1.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 1t17 s ALA 53 Cb -0.18 -1.39 0.12 0.00 0.00 0.00 0.00 23.12 21.66 1t17 s ALA 53 CO 0.23 -1.34 0.57 -2.00 0.00 0.00 0.00 175.76 173.22 1t17 s GLU 54 N 1.65 3.01 0.21 0.00 2.12 0.12 0.30 118.70 126.11 1t17 s GLU 54 Ca 0.01 -1.53 0.07 0.00 0.36 0.00 0.00 54.97 53.88 1t17 s GLU 54 Cb -0.18 -4.27 -0.04 0.00 0.26 0.00 0.00 34.13 29.90 1t17 s GLU 54 CO -0.13 -1.39 0.08 0.00 -0.54 0.00 0.00 175.26 173.29 1t17 s ALA 55 N 2.01 3.38 0.45 6.30 0.00 -0.25 -1.60 121.76 132.06 1t17 s ALA 55 Ca 0.06 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.65 1t17 s ALA 55 Cb -0.27 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 1t17 s ALA 55 CO 0.05 0.38 0.11 -0.65 0.00 0.00 0.00 175.76 175.65 1t17 s GLN 56 N -3.36 2.06 -0.06 0.00 -0.21 -0.10 -1.82 119.66 116.16 1t17 s GLN 56 Ca 0.30 -2.29 -0.01 0.00 0.02 0.00 0.00 55.36 53.39 1t17 s GLN 56 Cb -0.09 -0.78 0.03 0.00 1.00 0.00 0.00 33.01 33.17 1t17 s GLN 56 CO 0.22 -0.51 -0.01 0.14 -2.12 0.00 0.00 175.29 173.00 1t17 s VAL 57 N -3.10 0.43 -0.05 1.09 -7.23 -1.10 -3.92 120.40 106.51 1t17 s VAL 57 Ca 0.17 0.04 -0.04 0.00 -1.81 0.00 0.00 61.98 60.34 1t17 s VAL 57 Cb 0.01 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 1t17 s VAL 57 CO 0.12 0.25 -0.09 0.61 -0.31 0.00 0.00 175.10 175.67 1t17 n GLY 58 N 4.81 -0.13 1.40 2.32 0.00 -1.26 -4.12 105.19 108.22 1t17 n GLY 58 Ca -0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.43 1.21 0.04 1.61 7.35 -1.26 -3.64 117.46 119.34 1t17 n PHE 59 Ca -0.12 -0.85 0.08 0.00 -0.76 0.00 0.00 57.45 55.80 1t17 n PHE 59 Cb 0.49 -0.47 0.17 0.00 0.35 0.00 0.00 39.48 40.02 1t17 n PHE 59 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1t17 n SER 60 N -0.07 2.98 -0.71 -2.13 7.64 -1.26 -4.94 113.62 115.13 1t17 n SER 60 Ca 0.22 -1.89 -0.09 0.00 1.01 0.00 0.00 58.87 58.12 1t17 n SER 60 Cb 0.91 -0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.90 -0.02 -3.62 1.43 7.35 -1.24 -4.90 117.46 117.36 1t17 n PHE 61 Ca 0.14 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.56 1t17 n PHE 61 Cb 0.46 -2.60 -0.16 0.00 0.35 0.00 0.00 39.48 37.53 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 -2.09 0.68 -0.96 -2.13 2.96 -1.26 -5.08 118.68 110.80 1t17 s LEU 62 Ca 0.00 -0.90 -0.24 0.00 -0.22 0.00 0.00 54.13 52.77 1t17 s LEU 62 Cb 0.00 -0.38 0.03 0.00 0.50 0.00 0.00 46.19 46.34 1t17 s LEU 62 CO 0.00 -0.37 1.54 -0.60 -1.32 0.00 0.00 176.35 175.60 1t17 s ARG 63 N 2.04 3.32 0.07 1.98 6.06 -1.26 -4.60 118.95 126.56 1t17 s ARG 63 Ca 0.04 -0.82 -0.08 0.00 -2.50 0.00 0.00 55.73 52.37 1t17 s ARG 63 Cb -0.16 -5.15 -0.01 0.00 0.06 0.00 0.00 34.95 29.69 1t17 s ARG 63 CO -0.17 -2.44 0.16 -1.21 -2.50 0.00 0.00 175.30 169.13 1t17 s GLU 64 N 5.50 0.76 0.10 5.12 2.02 -1.26 -5.07 118.70 125.88 1t17 s GLU 64 Ca 0.50 -0.91 0.07 0.00 0.02 0.00 0.00 54.97 54.66 1t17 s GLU 64 Cb -0.02 0.31 -0.03 0.00 0.10 0.00 0.00 34.13 34.48 1t17 s GLU 64 CO -0.05 -0.22 -0.18 -1.59 0.02 0.00 0.00 175.26 173.24 1t17 s LYS 65 N -3.50 1.05 0.09 1.61 -2.85 -1.26 -2.72 119.74 112.16 1t17 s LYS 65 Ca 0.02 -1.14 -0.17 0.00 -1.00 0.00 0.00 55.97 53.68 1t17 s LYS 65 Cb 0.04 -1.20 0.04 0.00 -2.06 0.00 0.00 37.83 34.65 1t17 s LYS 65 CO -0.09 0.27 0.41 -0.06 0.10 0.00 0.00 175.35 175.98 1t17 s PHE 66 N -1.36 -0.23 0.02 1.78 0.08 -0.76 -4.94 117.98 112.57 1t17 s PHE 66 Ca 0.05 0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.19 1t17 s PHE 66 Cb -0.09 0.24 -0.02 0.00 -0.57 0.00 0.00 43.02 42.58 1t17 s PHE 66 CO 0.04 -0.65 -0.15 0.00 -0.10 0.00 0.00 175.22 174.36 1t17 s ALA 67 N -3.24 1.27 0.03 5.36 0.00 -1.26 -1.09 121.76 122.83 1t17 s ALA 67 Ca -0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.11 1t17 s ALA 67 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1t17 s ALA 67 CO -0.08 0.27 0.12 0.95 0.00 0.00 0.00 175.76 177.03 1t17 s THR 68 N -0.65 0.12 -0.47 0.00 -4.23 0.15 -2.37 115.64 108.19 1t17 s THR 68 Ca 0.04 -0.96 -0.29 0.00 -1.18 0.00 0.00 61.69 59.30 1t17 s THR 68 Cb -0.07 -0.78 0.03 0.00 1.34 0.00 0.00 72.50 73.02 1t17 s THR 68 CO 0.01 -0.53 1.13 -0.60 -0.54 0.00 0.00 174.62 174.09 1t17 s ARG 69 N -2.30 3.74 0.01 3.99 3.52 0.11 0.19 118.95 128.21 1t17 s ARG 69 Ca -0.07 0.59 -0.21 0.00 -0.13 0.00 0.00 55.73 55.90 1t17 s ARG 69 Cb -0.03 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.41 1t17 s ARG 69 CO -0.03 -1.35 0.62 0.54 -0.81 0.00 0.00 175.30 174.27 1t17 s VAL 70 N 4.40 4.86 -0.23 7.11 0.11 0.15 -1.49 120.40 135.32 1t17 s VAL 70 Ca 0.48 1.31 0.00 0.00 -2.93 0.00 0.00 61.98 60.84 1t17 s VAL 70 Cb -0.07 -3.96 0.06 0.00 -1.53 0.00 0.00 36.38 30.87 1t17 s VAL 70 CO 0.31 0.42 -0.04 -0.13 -3.33 0.00 0.00 175.10 172.32 1t17 s ARG 71 N -0.22 1.47 0.12 1.54 0.52 0.28 -1.39 118.95 121.27 1t17 s ARG 71 Ca 0.32 -0.89 0.04 0.00 -0.52 0.00 0.00 55.73 54.69 1t17 s ARG 71 Cb -0.19 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 1t17 s ARG 71 CO 0.18 -0.60 0.07 -0.98 0.02 0.00 0.00 175.30 173.99 1t17 s ARG 72 N 1.47 2.76 -0.12 3.54 1.70 0.71 -1.30 118.95 127.71 1t17 s ARG 72 Ca -0.05 -0.82 -0.04 0.00 -0.47 0.00 0.00 55.73 54.35 1t17 s ARG 72 Cb -0.18 -2.62 0.06 0.00 -0.57 0.00 0.00 34.95 31.63 1t17 s ARG 72 CO -0.06 0.53 0.22 0.34 -1.08 0.00 0.00 175.30 175.24 1t17 s ASP 73 N -2.63 0.61 0.00 -2.89 3.68 -1.11 -0.91 116.67 113.42 1t17 s ASP 73 Ca 0.29 0.41 0.25 0.00 2.13 0.00 0.00 52.55 55.62 1t17 s ASP 73 Cb -0.11 0.51 0.46 0.00 -1.45 0.00 0.00 42.92 42.33 1t17 s ASP 73 CO 0.21 -0.25 1.38 2.29 0.13 0.00 0.00 175.17 178.93 1t17 n LYS 74 N 5.34 0.17 -0.02 4.34 2.85 0.89 -0.63 118.16 131.09 1t17 n LYS 74 Ca -0.05 -0.11 0.02 0.00 -1.05 0.00 0.00 58.31 57.12 1t17 n LYS 74 Cb 0.50 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.24 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 -1.32 0.21 -0.04 -5.58 9.92 -1.18 -4.31 116.55 114.24 1t17 n ASP 75 Ca 0.07 0.09 0.01 0.00 -0.53 0.00 0.00 54.79 54.42 1t17 n ASP 75 Cb 0.34 1.26 -0.13 0.00 -0.64 0.00 0.00 41.12 41.95 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 2.15 -3.07 2.24 0.00 -1.24 -5.00 120.51 113.15 1t17 n ALA 76 Ca -0.14 -0.72 -0.18 0.00 0.00 0.00 0.00 53.44 52.40 1t17 n ALA 76 Cb 0.80 -0.35 0.04 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.34 -4.92 -4.32 0.00 3.00 0.20 -5.01 116.66 103.27 1t17 n ARG 77 Ca -0.14 0.70 -0.17 0.00 -0.01 0.00 0.00 57.85 58.23 1t17 n ARG 77 Cb 0.72 -5.20 -0.10 0.00 0.00 0.00 0.00 32.46 27.88 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 -2.97 1.91 -0.01 0.55 1.04 -1.18 -4.22 113.70 108.83 1t17 s SER 78 Ca 0.33 -1.17 0.04 0.00 0.48 0.00 0.00 55.95 55.63 1t17 s SER 78 Cb -0.15 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.95 1t17 s SER 78 CO 0.41 -0.45 -0.12 -0.63 0.98 0.00 0.00 173.24 173.43 1t17 s ILE 79 N -3.36 0.95 -0.09 -1.02 -1.09 0.12 -2.77 121.20 113.95 1t17 s ILE 79 Ca 0.26 -0.51 -0.08 0.00 -2.23 0.00 0.00 60.65 58.09 1t17 s ILE 79 Cb 0.05 -0.79 0.02 0.00 -1.58 0.00 0.00 42.46 40.16 1t17 s ILE 79 CO 0.07 0.27 0.23 -0.62 -1.23 0.00 0.00 174.94 173.66 1t17 s ASP 80 N -0.28 -0.24 -0.00 3.58 2.15 -0.42 -0.85 116.67 120.61 1t17 s ASP 80 Ca 0.05 0.46 0.01 0.00 0.43 0.00 0.00 52.55 53.50 1t17 s ASP 80 Cb -0.05 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 1t17 s ASP 80 CO -0.00 -0.08 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.20 1t17 s VAL 81 N 0.19 0.19 0.29 1.11 1.01 0.12 1.00 120.40 124.31 1t17 s VAL 81 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1t17 s VAL 81 Cb -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1t17 s VAL 81 CO -0.00 0.06 0.13 -0.44 0.00 0.00 0.00 175.10 174.85 1t17 s SER 82 N 0.06 1.45 0.33 3.32 0.01 -0.56 -1.52 113.70 116.80 1t17 s SER 82 Ca -0.00 -1.49 -0.29 0.00 1.31 0.00 0.00 55.95 55.48 1t17 s SER 82 Cb -0.02 0.30 -0.12 0.00 0.21 0.00 0.00 66.02 66.38 1t17 s SER 82 CO -0.00 -0.82 1.47 -0.11 0.41 0.00 0.00 173.24 174.18 1t17 n LEU 83 N -0.55 4.20 0.07 2.44 0.00 -1.19 0.07 117.00 122.04 1t17 n LEU 83 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 56.01 57.20 1t17 n LEU 83 Cb 0.65 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 42.51 1t17 n LEU 83 CO 0.36 -0.06 -0.03 -0.11 0.00 0.00 0.00 177.39 177.56 1t17 n LEU 84 N 1.22 0.76 0.00 -1.96 0.00 -1.25 -4.41 117.00 111.36 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 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 43.42 43.64 1t17 n LEU 84 CO 0.63 -0.72 -0.12 0.00 0.00 0.00 0.00 177.39 177.18 1t17 n TYR 85 N -3.46 0.00 -0.59 1.96 9.36 -1.21 -4.97 117.16 118.26 1t17 n TYR 85 Ca 0.00 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 1t17 n TYR 85 Cb 0.03 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.73 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 1.33 -1.02 0.05 2.98 0.00 -1.00 -4.76 105.19 102.77 1t17 n GLY 86 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 0.53 0.10 -0.90 1.61 -0.04 -1.26 -4.83 135.00 130.21 1t17 n PRO 87 Ca 0.06 0.21 -0.30 0.00 -0.04 0.00 0.00 63.50 63.43 1t17 n PRO 87 Cb 0.15 -1.65 0.16 0.00 -0.04 0.00 0.00 33.50 32.12 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 -3.10 1.91 0.00 0.54 -0.12 -1.26 -5.03 117.98 110.93 1t17 s PHE 88 Ca 0.09 1.50 0.00 0.00 -0.05 0.00 0.00 56.93 58.47 1t17 s PHE 88 Cb 0.13 -3.20 0.00 0.00 -0.63 0.00 0.00 43.02 39.32 1t17 s PHE 88 CO 0.44 -2.73 0.00 1.17 -0.05 0.00 0.00 175.22 174.05 1t17 n LYS 89 N -4.16 0.00 -3.14 1.99 0.00 -1.26 -4.91 118.16 106.69 1t17 n LYS 89 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.99 1t17 n LYS 89 Cb 0.53 -0.17 -0.06 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 0.00 4.19 -0.20 1.64 3.52 -1.26 -4.94 118.95 121.91 1t17 s ARG 90 Ca 0.00 0.57 -0.07 0.00 -0.13 0.00 0.00 55.73 56.11 1t17 s ARG 90 Cb 0.00 -3.59 0.09 0.00 -1.56 0.00 0.00 34.95 29.90 1t17 s ARG 90 CO 0.00 -0.25 0.42 -1.17 -0.81 0.00 0.00 175.30 173.49 1t17 s LEU 91 N 1.96 -0.66 -0.08 -0.88 2.96 -1.26 0.71 118.68 121.42 1t17 s LEU 91 Ca 0.28 0.99 -0.04 0.00 -0.22 0.00 0.00 54.13 55.14 1t17 s LEU 91 Cb -0.16 1.37 0.04 0.00 0.50 0.00 0.00 46.19 47.94 1t17 s LEU 91 CO 0.10 -0.23 0.18 0.20 -1.32 0.00 0.00 176.35 175.28 1t17 s ASN 92 N 2.62 -0.10 -0.20 3.68 0.02 0.46 -3.18 114.94 118.24 1t17 s ASN 92 Ca -0.02 0.38 -0.03 0.00 -1.02 0.00 0.00 52.86 52.17 1t17 s ASN 92 Cb -0.12 0.27 0.06 0.00 0.02 0.00 0.00 41.25 41.48 1t17 s ASN 92 CO -0.13 -0.16 0.05 0.21 0.02 0.00 0.00 177.10 177.09 1t17 s ASN 93 N 1.29 2.93 0.12 -1.22 2.47 -0.58 -0.52 114.94 119.43 1t17 s ASN 93 Ca -0.08 -0.87 0.10 0.00 0.42 0.00 0.00 52.86 52.43 1t17 s ASN 93 Cb -0.11 -0.55 -0.04 0.00 -1.45 0.00 0.00 41.25 39.10 1t17 s ASN 93 CO -0.07 -0.33 -0.25 -0.83 -3.72 0.00 0.00 177.10 171.90 1t17 s GLY 94 N 1.89 1.48 -0.06 1.21 0.00 -0.96 0.15 107.32 111.03 1t17 s GLY 94 Ca 0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.31 1t17 s GLY 94 CO -0.10 -1.37 0.12 0.86 0.00 0.00 0.00 173.10 172.60 1t17 s TRP 95 N -1.06 -0.12 0.07 1.90 -0.11 -0.03 -0.95 118.94 118.64 1t17 s TRP 95 Ca 0.12 0.41 0.02 0.00 1.22 0.00 0.00 56.10 57.87 1t17 s TRP 95 Cb -0.10 -0.13 -0.03 0.00 -1.50 0.00 0.00 33.47 31.71 1t17 s TRP 95 CO 0.05 -0.16 -0.08 1.03 -4.62 0.00 0.00 176.95 173.18 1t17 s ARG 96 N 1.22 0.69 -0.10 5.86 0.52 -0.43 0.15 118.95 126.86 1t17 s ARG 96 Ca -0.08 -1.03 -0.11 0.00 -0.52 0.00 0.00 55.73 53.98 1t17 s ARG 96 Cb -0.12 -0.29 0.03 0.00 0.52 0.00 0.00 34.95 35.09 1t17 s ARG 96 CO -0.05 0.03 0.30 -0.59 0.02 0.00 0.00 175.30 175.01 1t17 s PHE 97 N -2.39 -0.30 0.18 -0.53 -0.71 -1.26 -0.12 117.98 112.85 1t17 s PHE 97 Ca 0.00 0.72 -0.11 0.00 -1.04 0.00 0.00 56.93 56.51 1t17 s PHE 97 Cb -0.03 0.11 -0.00 0.00 -1.21 0.00 0.00 43.02 41.88 1t17 s PHE 97 CO -0.02 -0.19 0.35 -1.64 -1.34 0.00 0.00 175.22 172.38 1t17 s MET 98 N -0.08 1.26 0.42 1.99 -1.94 0.53 -4.94 119.30 116.53 1t17 s MET 98 Ca -0.02 -1.15 -0.23 0.00 -1.71 0.00 0.00 55.69 52.58 1t17 s MET 98 Cb -0.03 0.41 -0.09 0.00 2.01 0.00 0.00 34.83 37.14 1t17 s MET 98 CO 0.01 -0.49 1.05 -1.25 -0.01 0.00 0.00 175.02 174.33 1t17 s PRO 99 N -3.96 4.09 -0.41 2.03 0.04 -1.26 0.16 135.00 135.68 1t17 s PRO 99 Ca 0.17 1.49 0.07 0.00 0.04 0.00 0.00 61.00 62.77 1t17 s PRO 99 Cb 0.02 -2.45 0.18 0.00 0.04 0.00 0.00 34.50 32.29 1t17 s PRO 99 CO 0.01 -0.21 0.60 -1.21 0.04 0.00 0.00 177.00 176.24 1t17 s GLU 100 N -2.65 0.82 5.37 4.56 2.02 -0.63 -4.70 118.70 123.50 1t17 s GLU 100 Ca 0.60 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.18 1t17 s GLU 100 Cb -0.21 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 33.99 1t17 s GLU 100 CO 0.26 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.75 1t17 n GLY 101 N 4.28 0.41 0.16 -1.39 0.00 -1.26 -3.16 105.19 104.23 1t17 n GLY 101 Ca 0.12 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 3.17 0.00 -1.73 1.61 3.04 -2.01 -3.46 116.42 117.04 1t17 h ASP 102 Ca 0.00 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.22 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 0.11 -0.55 0.00 -2.04 0.00 0.00 179.24 176.76 1t17 s ALA 103 N -3.21 3.42 0.03 4.15 0.00 -1.19 -4.77 121.76 120.19 1t17 s ALA 103 Ca 0.03 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 49.94 1t17 s ALA 103 Cb 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1t17 s ALA 103 CO 0.73 -0.07 0.13 -0.08 0.00 0.00 0.00 175.76 176.48 1t17 s THR 104 N -2.56 5.00 -0.16 0.00 -1.32 -0.66 -1.60 115.64 114.33 1t17 s THR 104 Ca 0.38 -0.44 -0.02 0.00 -1.21 0.00 0.00 61.69 60.40 1t17 s THR 104 Cb 0.03 -3.36 -0.02 0.00 -1.51 0.00 0.00 72.50 67.63 1t17 s THR 104 CO 0.21 0.24 -0.07 -0.60 -2.21 0.00 0.00 174.62 172.19 1t17 s ARG 105 N -2.13 3.50 0.00 7.08 3.00 0.12 -1.26 118.95 129.27 1t17 s ARG 105 Ca 0.28 -0.60 0.08 0.00 -1.00 0.00 0.00 55.73 54.49 1t17 s ARG 105 Cb -0.12 -2.84 -0.02 0.00 0.00 0.00 0.00 34.95 31.97 1t17 s ARG 105 CO 0.20 0.13 -0.25 0.08 0.00 0.00 0.00 175.30 175.47 1t17 s VAL 106 N 0.62 1.98 -0.11 7.11 1.01 -0.07 -0.35 120.40 130.59 1t17 s VAL 106 Ca -0.04 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.78 1t17 s VAL 106 Cb -0.15 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1t17 s VAL 106 CO 0.03 0.47 -0.12 -1.61 0.00 0.00 0.00 175.10 173.87 1t17 s GLU 107 N -0.82 1.90 -0.26 2.72 2.02 0.83 -1.29 118.70 123.80 1t17 s GLU 107 Ca 0.10 -0.43 -0.04 0.00 0.02 0.00 0.00 54.97 54.63 1t17 s GLU 107 Cb -0.10 -1.73 0.01 0.00 0.10 0.00 0.00 34.13 32.41 1t17 s GLU 107 CO 0.00 -0.15 -0.01 0.12 0.02 0.00 0.00 175.26 175.24 1t17 s PHE 108 N 1.27 3.07 -0.27 1.61 2.19 0.50 -1.32 117.98 125.04 1t17 s PHE 108 Ca -0.02 -1.21 -0.13 0.00 0.33 0.00 0.00 56.93 55.90 1t17 s PHE 108 Cb -0.14 -2.14 -0.04 0.00 -1.31 0.00 0.00 43.02 39.39 1t17 s PHE 108 CO -0.05 -0.63 0.28 0.14 1.83 0.00 0.00 175.22 176.79 1t17 s VAL 109 N 1.42 5.25 -0.27 3.12 -7.23 -0.12 -1.96 120.40 120.61 1t17 s VAL 109 Ca 0.02 0.37 -0.06 0.00 -1.81 0.00 0.00 61.98 60.51 1t17 s VAL 109 Cb -0.16 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1t17 s VAL 109 CO -0.02 0.22 0.04 0.27 -0.31 0.00 0.00 175.10 175.30 1t17 s ILE 110 N 1.81 3.80 -0.12 -0.62 -5.25 -0.51 -2.28 121.20 118.04 1t17 s ILE 110 Ca 0.11 -0.59 -0.03 0.00 -0.99 0.00 0.00 60.65 59.16 1t17 s ILE 110 Cb -0.16 -2.88 0.04 0.00 2.95 0.00 0.00 42.46 42.42 1t17 s ILE 110 CO 0.10 0.21 0.04 -1.61 -1.79 0.00 0.00 174.94 171.89 1t17 s GLU 111 N 1.50 0.36 0.04 0.37 2.02 0.32 -0.94 118.70 122.38 1t17 s GLU 111 Ca 0.04 -0.03 -0.13 0.00 0.02 0.00 0.00 54.97 54.86 1t17 s GLU 111 Cb -0.16 -1.41 0.02 0.00 0.10 0.00 0.00 34.13 32.68 1t17 s GLU 111 CO 0.01 -0.49 0.29 -0.06 0.02 0.00 0.00 175.26 175.03 1t17 s PHE 112 N 2.02 -0.09 -0.13 1.61 0.08 -1.24 0.18 117.98 120.40 1t17 s PHE 112 Ca 0.03 -0.03 -0.06 0.00 0.12 0.00 0.00 56.93 56.98 1t17 s PHE 112 Cb -0.14 0.08 -0.04 0.00 -0.57 0.00 0.00 43.02 42.35 1t17 s PHE 112 CO -0.06 -0.48 0.08 0.00 -0.10 0.00 0.00 175.22 174.65 1t17 s ALA 113 N -2.42 3.57 0.36 5.36 0.00 0.22 -3.88 121.76 124.95 1t17 s ALA 113 Ca -0.06 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.26 1t17 s ALA 113 Cb -0.01 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1t17 s ALA 113 CO -0.03 0.45 0.10 -0.06 0.00 0.00 0.00 175.76 176.22 1t17 s PHE 114 N -0.48 2.62 -0.16 0.00 0.08 -1.26 -4.80 117.98 113.98 1t17 s PHE 114 Ca 0.10 -0.46 -0.16 0.00 0.12 0.00 0.00 56.93 56.53 1t17 s PHE 114 Cb -0.12 -1.66 -0.13 0.00 -0.57 0.00 0.00 43.02 40.54 1t17 s PHE 114 CO 0.02 0.36 0.18 0.87 -0.10 0.00 0.00 175.22 176.55 1t17 h LYS 115 N 1.62 0.00 -5.99 0.44 6.56 -1.99 -3.46 116.57 113.76 1t17 h LYS 115 Ca -0.43 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 58.59 1t17 h LYS 115 Cb 1.25 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.85 1t17 h LYS 115 CO 0.67 0.57 0.12 -1.12 -2.06 0.00 0.00 179.45 177.62 1t17 s SER 116 N -6.21 6.96 0.15 0.86 0.01 -1.26 -4.95 113.70 109.26 1t17 s SER 116 Ca -0.18 1.16 -0.09 0.00 1.31 0.00 0.00 55.95 58.14 1t17 s SER 116 Cb 0.02 -2.41 -0.00 0.00 0.21 0.00 0.00 66.02 63.84 1t17 s SER 116 CO 0.41 -0.16 1.47 0.00 0.41 0.00 0.00 173.24 175.38 1t17 h ALA 117 N 6.88 0.59 -0.22 1.44 0.00 -1.98 0.19 119.26 126.15 1t17 h ALA 117 Ca -0.39 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.02 1t17 h ALA 117 Cb 1.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1t17 h ALA 117 CO 0.76 0.68 0.05 -0.07 0.00 0.00 0.00 179.25 180.67 1t17 h LEU 118 N 0.66 0.34 -1.35 0.00 -0.00 -2.01 -2.20 115.31 110.75 1t17 h LEU 118 Ca 0.04 -0.24 -0.05 0.00 -0.00 0.00 0.00 57.88 57.63 1t17 h LEU 118 Cb 1.05 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 1t17 h LEU 118 CO 0.10 0.49 -0.24 -0.07 -0.00 0.00 0.00 178.44 178.72 1t17 h LEU 119 N 0.17 0.00 -0.05 1.67 3.38 -1.95 -1.56 115.31 116.97 1t17 h LEU 119 Ca 0.07 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1t17 h LEU 119 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1t17 h LEU 119 CO 0.00 0.24 -0.09 -0.78 0.09 0.00 0.00 178.44 177.90 1t17 h ASP 120 N 0.00 -0.28 -0.18 -0.43 1.82 0.01 1.43 116.42 118.78 1t17 h ASP 120 Ca -0.00 0.05 -0.20 0.00 -0.39 0.00 0.00 57.03 56.48 1t17 h ASP 120 Cb 0.64 0.13 0.01 0.00 0.68 0.00 0.00 39.33 40.78 1t17 h ASP 120 CO 0.03 -0.13 -0.67 0.00 -1.61 0.00 0.00 179.24 176.86 1t17 h ALA 121 N 0.89 0.40 -0.36 -0.78 0.00 -1.31 0.37 119.26 118.47 1t17 h ALA 121 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1t17 h ALA 121 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1t17 h ALA 121 CO -0.13 0.69 0.23 1.98 0.00 0.00 0.00 179.25 182.02 1t17 h MET 122 N 0.58 0.48 0.11 0.00 4.05 -0.82 0.60 114.93 119.94 1t17 h MET 122 Ca -0.02 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1t17 h MET 122 Cb 1.29 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1t17 h MET 122 CO 0.14 0.33 -0.05 -0.07 0.23 0.00 0.00 176.91 177.49 1t17 h LEU 123 N 0.48 -0.13 -1.87 3.39 3.38 0.20 -2.75 115.31 118.01 1t17 h LEU 123 Ca 0.13 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1t17 h LEU 123 Cb -0.03 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1t17 h LEU 123 CO -0.03 0.49 0.13 0.00 0.09 0.00 0.00 178.44 179.13 1t17 h ALA 124 N -0.28 1.11 0.06 1.53 0.00 -0.24 0.21 119.26 121.65 1t17 h ALA 124 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1t17 h ALA 124 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1t17 h ALA 124 CO 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 179.25 179.14 1t17 h ALA 125 N 1.70 -0.08 0.00 0.00 0.00 0.33 -3.23 119.26 117.98 1t17 h ALA 125 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1t17 h ALA 125 Cb 0.26 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1t17 h ALA 125 CO 0.00 -0.14 -0.10 -2.95 0.00 0.00 0.00 179.25 176.06 1t17 h ASN 126 N -0.89 0.00 -1.02 0.00 7.08 -0.81 -2.91 115.58 117.03 1t17 h ASN 126 Ca -0.01 0.00 0.38 0.00 -3.08 0.00 0.00 56.30 53.59 1t17 h ASN 126 Cb 0.63 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 36.71 1t17 h ASN 126 CO 0.01 0.10 0.57 1.62 -2.08 0.00 0.00 177.43 177.66 1t17 h VAL 127 N 0.00 0.13 -0.22 6.14 3.04 -0.67 1.61 116.25 126.28 1t17 h VAL 127 Ca -0.00 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1t17 h VAL 127 Cb 0.48 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 1t17 h VAL 127 CO 0.01 0.03 0.12 -0.78 -1.01 0.00 0.00 177.57 175.94 1t17 h ASP 128 N 0.14 0.27 -0.08 3.17 1.82 -1.68 0.11 116.42 120.18 1t17 h ASP 128 Ca 0.80 -0.09 0.01 0.00 -0.39 0.00 0.00 57.03 57.37 1t17 h ASP 128 Cb 2.04 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.97 1t17 h ASP 128 CO -0.68 0.28 0.01 0.03 -1.61 0.00 0.00 179.24 177.27 1t17 h ARG 129 N 0.24 0.04 -0.75 0.28 2.47 0.20 0.14 114.38 117.00 1t17 h ARG 129 Ca 0.08 -0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.86 1t17 h ARG 129 Cb 0.07 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.32 1t17 h ARG 129 CO -0.01 0.02 0.44 0.00 0.56 0.00 0.00 179.97 180.98 1t17 h ALA 130 N 1.06 1.03 -0.01 0.04 0.00 -0.61 0.20 119.26 120.97 1t17 h ALA 130 Ca 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1t17 h ALA 130 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1t17 h ALA 130 CO -0.05 0.12 -0.21 0.00 0.00 0.00 0.00 179.25 179.11 1t17 h ALA 131 N 1.38 1.64 -0.34 0.00 0.00 -0.14 0.84 119.26 122.64 1t17 h ALA 131 Ca 0.34 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1t17 h ALA 131 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1t17 h ALA 131 CO -0.19 0.27 -0.06 0.78 0.00 0.00 0.00 179.25 180.05 1t17 h GLY 132 N 0.65 0.70 0.72 0.00 0.00 0.22 0.20 103.07 105.55 1t17 h GLY 132 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1t17 h GLY 132 CO 0.03 0.51 -0.19 0.07 0.00 0.00 0.00 176.54 176.96 1t17 h LYS 133 N 0.44 0.35 -0.69 4.80 2.10 -0.73 -1.54 116.57 121.30 1t17 h LYS 133 Ca 0.09 -0.21 0.04 0.00 -2.00 0.00 0.00 60.65 58.56 1t17 h LYS 133 Cb 0.55 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.85 1t17 h LYS 133 CO 0.03 0.79 0.42 1.37 -2.00 0.00 0.00 179.45 180.06 1t17 h LEU 134 N -0.06 0.67 -0.48 7.07 8.10 -0.82 0.46 115.31 130.25 1t17 h LEU 134 Ca 0.01 0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.01 1t17 h LEU 134 Cb 0.76 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.82 1t17 h LEU 134 CO 0.04 0.46 0.30 0.40 -4.11 0.00 0.00 178.44 175.54 1t17 h ILE 135 N 0.81 1.14 -0.01 0.15 2.04 -0.55 -0.87 117.51 120.22 1t17 h ILE 135 Ca 0.28 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1t17 h ILE 135 Cb 0.06 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1t17 h ILE 135 CO -0.12 0.14 -0.28 0.00 0.00 0.00 0.00 178.15 177.88 1t17 h ALA 136 N 1.15 1.51 0.14 1.87 0.00 -0.32 -0.67 119.26 122.95 1t17 h ALA 136 Ca 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1t17 h ALA 136 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1t17 h ALA 136 CO -0.03 0.37 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 1t17 h PHE 138 N -0.26 1.04 0.12 0.00 3.57 -0.90 -0.75 116.94 119.77 1t17 h PHE 138 Ca -0.02 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1t17 h PHE 138 Cb 0.20 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1t17 h PHE 138 CO -0.05 0.82 -0.06 1.49 -2.23 0.00 0.00 178.31 178.28 1t17 h GLU 139 N 0.97 -0.16 -0.88 1.11 4.81 -0.86 0.11 114.58 119.69 1t17 h GLU 139 Ca 0.22 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.53 1t17 h GLU 139 Cb 0.23 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 1t17 h GLU 139 CO -0.02 -0.05 0.57 0.00 -0.73 0.00 0.00 179.01 178.79 1t17 h ALA 140 N 0.64 1.54 -0.36 2.92 0.00 -0.03 0.29 119.26 124.25 1t17 h ALA 140 Ca -0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1t17 h ALA 140 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1t17 h ALA 140 CO 0.03 0.33 -0.14 0.00 0.00 0.00 0.00 179.25 179.48 1t17 h ARG 141 N 0.99 0.64 -0.45 0.00 2.47 -0.62 0.48 114.38 117.89 1t17 h ARG 141 Ca 0.38 -0.21 -0.06 0.00 -1.26 0.00 0.00 59.98 58.83 1t17 h ARG 141 Cb 0.20 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 1t17 h ARG 141 CO -0.14 0.76 0.07 0.00 0.56 0.00 0.00 179.97 181.22 1t17 h ALA 142 N 1.27 0.60 -0.03 0.04 0.00 0.12 0.13 119.26 121.39 1t17 h ALA 142 Ca 0.10 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1t17 h ALA 142 Cb 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1t17 h ALA 142 CO 0.04 0.33 -0.73 0.37 0.00 0.00 0.00 179.25 179.26 1t17 h GLN 143 N 0.62 0.20 -0.16 0.00 4.15 -0.83 -0.77 115.11 118.31 1t17 h GLN 143 Ca 0.14 -0.17 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 1t17 h GLN 143 Cb 0.40 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1t17 h GLN 143 CO 0.01 0.84 -0.42 0.37 -1.93 0.00 0.00 178.83 177.71 1t17 h GLN 144 N 0.13 0.36 0.12 1.69 4.15 0.25 1.44 115.11 123.25 1t17 h GLN 144 Ca -0.02 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 1t17 h GLN 144 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1t17 h GLN 144 CO 0.11 0.72 -0.06 1.25 -1.93 0.00 0.00 178.83 178.92 1t17 h LEU 145 N 0.30 -0.13 -1.20 -2.39 6.46 -0.63 -3.31 115.31 114.40 1t17 h LEU 145 Ca 0.03 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.51 1t17 h LEU 145 Cb 0.86 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 1t17 h LEU 145 CO 0.07 0.44 -0.09 0.45 -0.62 0.00 0.00 178.44 178.69 1t17 h HIS 146 N -1.00 0.47 -6.83 1.25 3.86 -1.19 -3.46 115.15 108.25 1t17 h HIS 146 Ca -0.02 -0.06 -0.56 0.00 -1.16 0.00 0.00 60.37 58.58 1t17 h HIS 146 Cb 0.34 -0.13 -0.24 0.00 1.06 0.00 0.00 27.41 28.44 1t17 h HIS 146 CO 0.06 0.53 -0.85 0.41 0.86 0.00 0.00 177.93 178.94 1t17 n GLY 147 N -0.77 -0.18 0.00 2.45 0.00 0.49 -5.06 105.19 102.13 1t17 n GLY 147 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1t17 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32