#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 1.75 -3.99 2.03 -0.00 -1.20 -4.73 115.22 109.07 1t17 n HIS 2 Ca 0.00 1.01 -0.30 0.00 -0.00 0.00 0.00 57.72 58.44 1t17 n HIS 2 Cb 0.00 -2.27 -0.16 0.00 -0.00 0.00 0.00 29.99 27.55 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 3.41 2.06 -0.03 -0.41 3.52 -1.26 -2.59 118.95 123.65 1t17 s ARG 3 Ca 1.06 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 56.05 1t17 s ARG 3 Cb -1.43 -2.15 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1t17 s ARG 3 CO 0.78 -0.32 -0.06 -1.01 -0.81 0.00 0.00 175.30 173.88 1t17 s HIS 4 N 1.49 2.95 0.00 5.12 3.76 0.46 -4.98 115.29 124.09 1t17 s HIS 4 Ca 0.03 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 1t17 s HIS 4 Cb -0.14 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.85 1t17 s HIS 4 CO -0.09 0.37 0.07 0.08 -0.85 0.00 0.00 174.74 174.32 1t17 s VAL 5 N -0.93 4.61 -0.27 -0.90 1.01 -1.26 -1.44 120.40 121.21 1t17 s VAL 5 Ca 0.15 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1t17 s VAL 5 Cb -0.11 -3.11 0.14 0.00 0.00 0.00 0.00 36.38 33.31 1t17 s VAL 5 CO 0.05 0.34 0.37 -0.69 0.00 0.00 0.00 175.10 175.17 1t17 s VAL 6 N -1.19 -0.56 -0.14 2.92 1.01 -0.57 -5.01 120.40 116.87 1t17 s VAL 6 Ca 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1t17 s VAL 6 Cb -0.12 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1t17 s VAL 6 CO 0.14 -0.27 -0.20 -0.89 0.00 0.00 0.00 175.10 173.88 1t17 s THR 7 N 2.50 1.91 0.16 3.92 2.01 -1.26 0.18 115.64 125.05 1t17 s THR 7 Ca 0.10 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.28 1t17 s THR 7 Cb -0.14 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1t17 s THR 7 CO -0.26 0.52 -0.13 -1.59 -0.69 0.00 0.00 174.62 172.48 1t17 s LYS 8 N 0.93 1.13 -0.03 4.92 0.00 -0.22 -5.00 119.74 121.47 1t17 s LYS 8 Ca -0.05 -1.44 0.01 0.00 0.00 0.00 0.00 55.97 54.49 1t17 s LYS 8 Cb -0.15 -0.86 0.02 0.00 0.00 0.00 0.00 37.83 36.85 1t17 s LYS 8 CO -0.03 0.14 -0.02 0.08 0.00 0.00 0.00 175.35 175.52 1t17 s VAL 9 N -2.89 0.29 -0.02 1.79 1.01 -1.26 -0.38 120.40 118.95 1t17 s VAL 9 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1t17 s VAL 9 Cb -0.01 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 36.04 1t17 s VAL 9 CO 0.03 0.17 0.02 -0.76 0.00 0.00 0.00 175.10 174.56 1t17 s LEU 10 N 0.93 1.13 -0.76 3.92 1.43 -0.84 -4.96 118.68 119.53 1t17 s LEU 10 Ca -0.10 0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 52.96 1t17 s LEU 10 Cb -0.14 -0.09 -0.12 0.00 0.03 0.00 0.00 46.19 45.88 1t17 s LEU 10 CO -0.01 -0.12 2.61 -0.81 0.23 0.00 0.00 176.35 178.25 1t17 n PRO 11 N 4.13 2.30 -4.33 1.29 -0.04 -1.26 -1.66 135.00 135.42 1t17 n PRO 11 Ca -0.27 -1.39 -0.24 0.00 -0.04 0.00 0.00 63.50 61.56 1t17 n PRO 11 Cb 0.51 -2.33 -0.08 0.00 -0.04 0.00 0.00 33.50 31.56 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 2.37 2.57 0.90 0.54 2.02 -1.26 -4.93 117.35 119.56 1t17 s TYR 12 Ca 0.52 -0.30 -0.11 0.00 -0.37 0.00 0.00 57.07 56.80 1t17 s TYR 12 Cb 0.17 -1.24 0.13 0.00 -0.40 0.00 0.00 41.96 40.63 1t17 s TYR 12 CO -0.03 0.60 1.10 0.95 -1.57 0.00 0.00 175.55 176.60 1t17 s THR 13 N -2.41 2.59 -1.85 -0.71 -4.23 -1.26 -4.51 115.64 103.25 1t17 s THR 13 Ca 0.32 0.19 0.24 0.00 -1.18 0.00 0.00 61.69 61.26 1t17 s THR 13 Cb -0.04 -2.49 0.61 0.00 1.34 0.00 0.00 72.50 71.91 1t17 s THR 13 CO 0.19 -0.25 1.78 -0.81 -0.54 0.00 0.00 174.62 174.99 1t17 n PRO 14 N -4.02 0.64 -0.03 3.99 -0.04 -1.26 -3.06 135.00 131.21 1t17 n PRO 14 Ca 0.08 0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 1t17 n PRO 14 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.18 -0.26 3.54 3.58 -2.02 -3.06 116.42 118.39 1t17 h ASP 15 Ca 0.00 -0.72 0.07 0.00 0.42 0.00 0.00 57.03 56.81 1t17 h ASP 15 Cb 0.05 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1t17 h ASP 15 CO 0.00 0.88 0.48 1.56 -2.88 0.00 0.00 179.24 179.28 1t17 h GLN 16 N -0.49 0.00 -0.22 0.28 7.50 -1.92 0.46 115.11 120.73 1t17 h GLN 16 Ca -0.02 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.06 1t17 h GLN 16 Cb 0.89 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.41 1t17 h GLN 16 CO 0.04 0.00 -0.16 -0.07 -1.50 0.00 0.00 178.83 177.14 1t17 h LEU 17 N 0.00 0.51 -1.71 1.46 3.38 -1.70 -2.86 115.31 114.39 1t17 h LEU 17 Ca 0.12 -0.45 0.40 0.00 0.09 0.00 0.00 57.88 58.04 1t17 h LEU 17 Cb 1.08 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 1t17 h LEU 17 CO -0.00 0.85 0.93 0.15 0.09 0.00 0.00 178.44 180.45 1t17 h PHE 18 N 0.18 0.27 0.09 1.13 3.04 -0.12 1.81 116.94 123.34 1t17 h PHE 18 Ca 0.04 0.01 -0.26 0.00 3.98 0.00 0.00 57.97 61.74 1t17 h PHE 18 Cb 0.68 -0.07 0.01 0.00 2.56 0.00 0.00 35.95 39.13 1t17 h PHE 18 CO 0.07 -0.04 -1.15 0.93 -2.02 0.00 0.00 178.31 176.09 1t17 h GLU 19 N 0.10 0.33 -0.00 1.11 5.08 -1.55 -2.73 114.58 116.92 1t17 h GLU 19 Ca 0.71 -0.48 -0.25 0.00 -1.00 0.00 0.00 59.36 58.35 1t17 h GLU 19 Cb 2.49 0.17 0.01 0.00 0.50 0.00 0.00 28.75 31.92 1t17 h GLU 19 CO -0.18 1.19 -1.00 -0.07 -1.00 0.00 0.00 179.01 177.95 1t17 h LEU 20 N 0.13 0.76 -1.31 1.33 3.38 0.20 -1.05 115.31 118.74 1t17 h LEU 20 Ca -0.12 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.22 1t17 h LEU 20 Cb 1.85 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 1t17 h LEU 20 CO 0.19 1.41 0.23 0.58 0.09 0.00 0.00 178.44 180.94 1t17 h VAL 21 N 0.33 1.17 -0.55 1.22 2.07 0.20 -1.39 116.25 119.30 1t17 h VAL 21 Ca -0.11 -0.50 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 1t17 h VAL 21 Cb 1.65 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 1t17 h VAL 21 CO 0.19 0.20 0.13 0.61 0.02 0.00 0.00 177.57 178.72 1t17 n GLY 22 N -1.19 3.84 0.21 2.17 0.00 -1.03 -4.52 105.19 104.67 1t17 n GLY 22 Ca 0.04 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 2.40 0.00 0.98 1.61 3.58 -0.01 2.76 116.42 127.73 1t17 h ASP 23 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1t17 h ASP 23 Cb 1.98 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.03 1t17 h ASP 23 CO 0.53 0.00 -0.24 1.33 -2.88 0.00 0.00 179.24 177.98 1t17 n VAL 24 N -2.40 0.22 -1.40 2.25 0.24 -1.26 -3.70 118.33 112.28 1t17 n VAL 24 Ca -0.02 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1t17 n VAL 24 Cb 0.17 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 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 -1.81 0.04 0.00 -1.34 2.03 0.50 -4.25 116.55 111.72 1t17 n ASP 25 Ca 0.06 -1.44 0.00 0.00 0.52 0.00 0.00 54.79 53.92 1t17 n ASP 25 Cb 0.38 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 -0.02 0.50 -3.07 -1.67 0.00 0.81 -5.05 120.51 112.01 1t17 n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t17 n ALA 26 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1t17 n ALA 26 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1t17 n TYR 27 N 0.00 0.00 0.03 0.00 4.11 -1.25 -4.87 117.16 115.18 1t17 n TYR 27 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.73 1t17 n TYR 27 Cb 0.00 -0.99 -0.07 0.00 -0.00 0.00 0.00 39.34 38.28 1t17 n TYR 27 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1t17 h PRO 28 N 4.92 0.64 0.00 -3.48 0.13 -1.96 -3.49 132.00 128.75 1t17 h PRO 28 Ca 0.00 -0.61 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1t17 h PRO 28 Cb 0.09 0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1t17 h PRO 28 CO 0.00 1.22 0.00 1.17 -0.23 0.00 0.00 178.00 180.16 1t17 n LYS 29 N -3.85 -2.85 -3.37 0.86 4.81 -1.26 -5.06 118.16 107.43 1t17 n LYS 29 Ca -0.08 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.17 1t17 n LYS 29 Cb 0.81 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.92 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 0.59 -2.35 -3.16 5.64 7.35 -1.26 -4.98 117.46 119.29 1t17 n PHE 30 Ca 0.00 0.76 -0.22 0.00 -0.76 0.00 0.00 57.45 57.23 1t17 n PHE 30 Cb 0.00 -3.90 -0.06 0.00 0.35 0.00 0.00 39.48 35.87 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 -3.36 -0.61 0.04 -2.13 0.24 -1.26 -4.89 118.33 106.36 1t17 n VAL 31 Ca -0.07 -3.86 -0.15 0.00 -2.04 0.00 0.00 64.34 58.22 1t17 n VAL 31 Cb 0.60 -1.58 -0.05 0.00 -1.47 0.00 0.00 33.84 31.34 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 3.93 0.55 -0.44 7.34 0.13 -1.98 -2.98 132.00 138.54 1t17 h PRO 32 Ca 0.06 -0.54 0.13 0.00 -0.87 0.00 0.00 66.00 64.78 1t17 h PRO 32 Cb 0.90 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1t17 h PRO 32 CO 0.45 1.16 0.67 0.11 -0.23 0.00 0.00 178.00 180.16 1t17 h TRP 33 N 0.34 0.00 -1.41 1.56 0.09 -1.92 -3.35 115.95 111.26 1t17 h TRP 33 Ca -0.08 0.00 -0.62 0.00 0.09 0.00 0.00 58.89 58.28 1t17 h TRP 33 Cb 1.52 0.00 -0.13 0.00 0.08 0.00 0.00 29.16 30.63 1t17 h TRP 33 CO 0.07 0.00 -0.54 -1.50 0.09 0.00 0.00 178.44 176.56 1t17 s ILE 34 N -4.40 1.15 0.00 0.12 2.07 -1.13 -4.70 121.20 114.31 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 0.12 -2.41 0.00 0.00 0.13 0.00 0.00 42.46 40.30 1t17 s ILE 34 CO 0.42 0.00 0.00 1.07 -1.91 0.00 0.00 174.94 174.52 1t17 n THR 35 N -1.07 0.00 -3.84 4.00 5.66 -1.25 -4.58 114.28 113.20 1t17 n THR 35 Ca -0.12 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.62 1t17 n THR 35 Cb 0.66 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.41 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 -0.98 1.74 -0.02 1.09 0.00 -1.26 -4.95 107.32 102.93 1t17 s GLY 36 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 1t17 s GLY 36 CO 0.00 -0.93 0.69 -3.16 0.00 0.00 0.00 173.10 169.70 1t17 s MET 37 N -3.28 1.06 -0.28 2.90 0.00 -1.25 -0.85 119.30 117.61 1t17 s MET 37 Ca 0.36 0.13 -0.18 0.00 0.00 0.00 0.00 55.69 56.00 1t17 s MET 37 Cb -0.11 0.50 0.08 0.00 0.00 0.00 0.00 34.83 35.30 1t17 s MET 37 CO 0.29 -0.36 0.72 0.50 0.00 0.00 0.00 175.02 176.17 1t17 s ARG 38 N -1.61 0.71 -0.11 3.16 6.06 -0.87 -4.97 118.95 121.32 1t17 s ARG 38 Ca -0.08 1.13 -0.01 0.00 -2.50 0.00 0.00 55.73 54.27 1t17 s ARG 38 Cb -0.00 0.19 0.03 0.00 0.06 0.00 0.00 34.95 35.23 1t17 s ARG 38 CO 0.06 -0.13 -0.04 0.95 -2.50 0.00 0.00 175.30 173.63 1t17 s THR 39 N 1.35 0.80 -0.08 4.11 -4.23 -1.26 -0.80 115.64 115.53 1t17 s THR 39 Ca -0.08 -0.23 -0.31 0.00 -1.18 0.00 0.00 61.69 59.89 1t17 s THR 39 Cb -0.05 -0.92 0.10 0.00 1.34 0.00 0.00 72.50 72.97 1t17 s THR 39 CO -0.15 0.26 1.36 -1.66 -0.54 0.00 0.00 174.62 173.89 1t17 s TRP 40 N 1.79 0.00 -0.18 3.99 -2.14 -0.87 -4.98 118.94 116.54 1t17 s TRP 40 Ca 0.04 -0.03 -0.09 0.00 2.66 0.00 0.00 56.10 58.68 1t17 s TRP 40 Cb -0.13 0.51 0.03 0.00 -3.10 0.00 0.00 33.47 30.78 1t17 s TRP 40 CO -0.07 -0.05 0.17 -1.71 -2.66 0.00 0.00 176.95 172.63 1t17 n ASN 41 N -1.01 -1.91 0.00 -2.66 2.85 -1.26 -1.37 115.26 109.91 1t17 n ASN 41 Ca 0.06 1.18 0.00 0.00 -0.11 0.00 0.00 54.58 55.71 1t17 n ASN 41 Cb 0.58 -4.70 0.00 0.00 1.24 0.00 0.00 39.78 36.90 1t17 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1t17 n GLY 42 N 1.29 -0.76 3.18 8.20 0.00 -1.26 -1.56 105.19 114.27 1t17 n GLY 42 Ca -0.29 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.47 0.86 -0.09 1.61 1.70 0.13 -4.97 118.95 117.72 1t17 s ARG 43 Ca 0.00 -1.35 0.02 0.00 -0.47 0.00 0.00 55.73 53.94 1t17 s ARG 43 Cb 0.00 -0.25 0.01 0.00 -0.57 0.00 0.00 34.95 34.14 1t17 s ARG 43 CO 0.00 -0.01 -0.16 0.54 -1.08 0.00 0.00 175.30 174.59 1t17 s VAL 44 N -3.60 1.49 -0.04 4.99 0.11 -1.26 -0.96 120.40 121.14 1t17 s VAL 44 Ca 0.12 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.52 1t17 s VAL 44 Cb 0.05 -1.35 0.02 0.00 -1.53 0.00 0.00 36.38 33.57 1t17 s VAL 44 CO -0.04 0.44 -0.05 -0.62 -3.33 0.00 0.00 175.10 171.50 1t17 s ASP 45 N 0.75 0.93 0.36 3.54 2.15 -0.33 -5.03 116.67 119.05 1t17 s ASP 45 Ca -0.12 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.73 1t17 s ASP 45 Cb -0.16 -0.42 0.00 0.00 -0.30 0.00 0.00 42.92 42.04 1t17 s ASP 45 CO 0.02 -0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 1t17 n GLY 46 N 3.89 2.56 2.08 2.66 0.00 -1.26 0.42 105.19 115.55 1t17 n GLY 46 Ca -0.24 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 7.61 5.53 -2.87 4.61 0.00 -1.26 -4.87 120.51 129.26 1t17 n ALA 47 Ca 0.00 -2.55 -0.13 0.00 0.00 0.00 0.00 53.44 50.77 1t17 n ALA 47 Cb 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 19.45 17.81 1t17 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t17 s VAL 48 N -3.36 0.47 -0.03 0.00 1.01 0.17 -0.63 120.40 118.04 1t17 s VAL 48 Ca 0.48 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1t17 s VAL 48 Cb 0.39 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 36.24 1t17 s VAL 48 CO 0.02 -0.35 -0.04 -0.55 0.00 0.00 0.00 175.10 174.18 1t17 s SER 49 N -1.43 0.71 -0.11 3.32 0.15 0.55 -1.19 113.70 115.70 1t17 s SER 49 Ca -0.10 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1t17 s SER 49 Cb -0.09 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 63.97 1t17 s SER 49 CO 0.00 -0.02 -0.11 -0.89 1.20 0.00 0.00 173.24 173.42 1t17 s THR 50 N 0.56 1.23 0.28 6.45 2.01 -0.14 -0.11 115.64 125.91 1t17 s THR 50 Ca -0.07 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 1t17 s THR 50 Cb -0.10 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1t17 s THR 50 CO -0.00 0.40 0.52 0.68 -0.69 0.00 0.00 174.62 175.52 1t17 s VAL 51 N 1.39 0.00 0.24 3.82 -7.23 -0.48 0.21 120.40 118.35 1t17 s VAL 51 Ca 0.00 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1t17 s VAL 51 Cb -0.13 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 1t17 s VAL 51 CO -0.06 0.00 0.99 -1.81 -0.31 0.00 0.00 175.10 173.91 1t17 s ASP 52 N -3.06 7.53 -0.22 4.85 1.01 -0.47 0.73 116.67 127.04 1t17 s ASP 52 Ca 0.23 2.03 0.01 0.00 0.71 0.00 0.00 52.55 55.53 1t17 s ASP 52 Cb -0.01 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.36 1t17 s ASP 52 CO 0.11 0.06 -0.07 0.00 0.21 0.00 0.00 175.17 175.48 1t17 s ALA 53 N -1.09 1.93 -0.50 5.23 0.00 0.49 -2.06 121.76 125.77 1t17 s ALA 53 Ca 0.42 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1t17 s ALA 53 Cb -0.28 -1.35 0.12 0.00 0.00 0.00 0.00 23.12 21.61 1t17 s ALA 53 CO 0.34 -1.04 0.40 -2.00 0.00 0.00 0.00 175.76 173.47 1t17 s GLU 54 N 1.42 2.68 0.15 0.00 2.12 0.02 -0.04 118.70 125.06 1t17 s GLU 54 Ca -0.04 -1.73 0.04 0.00 0.36 0.00 0.00 54.97 53.60 1t17 s GLU 54 Cb -0.18 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.11 1t17 s GLU 54 CO -0.07 -1.24 0.21 0.00 -0.54 0.00 0.00 175.26 173.62 1t17 s ALA 55 N 1.46 3.78 0.46 6.30 0.00 0.00 -2.05 121.76 131.72 1t17 s ALA 55 Ca 0.05 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1t17 s ALA 55 Cb -0.28 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1t17 s ALA 55 CO 0.01 0.53 0.07 -0.65 0.00 0.00 0.00 175.76 175.72 1t17 s GLN 56 N -3.14 2.08 -0.05 0.00 -0.21 -0.03 -1.62 119.66 116.69 1t17 s GLN 56 Ca 0.33 -2.31 0.00 0.00 0.02 0.00 0.00 55.36 53.40 1t17 s GLN 56 Cb -0.11 -1.04 0.02 0.00 1.00 0.00 0.00 33.01 32.89 1t17 s GLN 56 CO 0.26 -0.44 -0.02 0.14 -2.12 0.00 0.00 175.29 173.11 1t17 s VAL 57 N -3.04 0.43 -0.03 1.09 -7.23 -1.16 -3.85 120.40 106.61 1t17 s VAL 57 Ca 0.14 -0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.26 1t17 s VAL 57 Cb 0.02 -0.51 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 1t17 s VAL 57 CO 0.09 0.23 -0.09 0.61 -0.31 0.00 0.00 175.10 175.62 1t17 n GLY 58 N 4.47 -0.28 1.58 2.32 0.00 -1.26 -4.22 105.19 107.80 1t17 n GLY 58 Ca -0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.21 0.95 0.14 1.61 7.35 -1.26 -3.69 117.46 119.35 1t17 n PHE 59 Ca -0.04 -1.30 0.07 0.00 -0.76 0.00 0.00 57.45 55.42 1t17 n PHE 59 Cb 0.14 -0.64 0.14 0.00 0.35 0.00 0.00 39.48 39.46 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 0.44 2.75 -0.26 -2.13 7.64 -1.26 -4.94 113.62 115.85 1t17 n SER 60 Ca 0.18 -1.82 -0.03 0.00 1.01 0.00 0.00 58.87 58.21 1t17 n SER 60 Cb 0.68 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.81 -0.00 -3.52 1.43 7.35 -1.24 -4.87 117.46 117.41 1t17 n PHE 61 Ca 0.12 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.52 1t17 n PHE 61 Cb 0.42 -2.23 -0.13 0.00 0.35 0.00 0.00 39.48 37.89 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 -0.77 0.93 -0.89 -2.13 2.96 -1.26 -5.07 118.68 112.45 1t17 s LEU 62 Ca 0.00 -1.81 -0.25 0.00 -0.22 0.00 0.00 54.13 51.86 1t17 s LEU 62 Cb 0.00 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 1t17 s LEU 62 CO 0.00 -0.37 1.83 -0.13 -1.32 0.00 0.00 176.35 176.36 1t17 s ARG 63 N 1.49 2.77 0.10 1.98 3.00 -1.26 -4.64 118.95 122.38 1t17 s ARG 63 Ca 0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 55.73 55.45 1t17 s ARG 63 Cb -0.20 -5.02 -0.01 0.00 0.00 0.00 0.00 34.95 29.72 1t17 s ARG 63 CO -0.16 -3.07 0.16 -1.21 0.00 0.00 0.00 175.30 171.03 1t17 s GLU 64 N 6.61 0.86 0.14 3.54 2.02 -1.26 -5.06 118.70 125.55 1t17 s GLU 64 Ca 0.64 -1.07 0.11 0.00 0.02 0.00 0.00 54.97 54.67 1t17 s GLU 64 Cb -0.06 0.32 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 1t17 s GLU 64 CO 0.00 -0.27 -0.25 -1.59 0.02 0.00 0.00 175.26 173.17 1t17 s LYS 65 N -3.90 1.37 -0.03 1.61 -2.85 -1.26 -3.00 119.74 111.68 1t17 s LYS 65 Ca 0.08 -1.35 -0.10 0.00 -1.00 0.00 0.00 55.97 53.60 1t17 s LYS 65 Cb 0.05 -1.78 0.01 0.00 -2.06 0.00 0.00 37.83 34.05 1t17 s LYS 65 CO -0.08 0.41 0.23 -0.06 0.10 0.00 0.00 175.35 175.95 1t17 s PHE 66 N -1.23 -0.12 0.00 1.78 0.08 -0.64 -5.02 117.98 112.84 1t17 s PHE 66 Ca 0.14 0.22 0.06 0.00 0.12 0.00 0.00 56.93 57.47 1t17 s PHE 66 Cb -0.09 0.04 -0.02 0.00 -0.57 0.00 0.00 43.02 42.38 1t17 s PHE 66 CO 0.06 -0.28 -0.19 0.00 -0.10 0.00 0.00 175.22 174.72 1t17 s ALA 67 N -0.95 1.57 0.07 5.36 0.00 -1.26 -0.82 121.76 125.73 1t17 s ALA 67 Ca -0.10 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 50.84 1t17 s ALA 67 Cb -0.05 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.73 1t17 s ALA 67 CO 0.02 0.37 0.36 0.95 0.00 0.00 0.00 175.76 177.46 1t17 s THR 68 N -0.55 0.07 -0.46 0.00 -4.23 0.94 -1.94 115.64 109.48 1t17 s THR 68 Ca 0.07 -0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.68 1t17 s THR 68 Cb -0.08 -1.03 0.02 0.00 1.34 0.00 0.00 72.50 72.76 1t17 s THR 68 CO 0.00 -0.34 1.24 -0.60 -0.54 0.00 0.00 174.62 174.38 1t17 s ARG 69 N -2.92 3.66 0.09 3.99 3.52 0.52 0.19 118.95 128.00 1t17 s ARG 69 Ca -0.02 0.70 -0.20 0.00 -0.13 0.00 0.00 55.73 56.07 1t17 s ARG 69 Cb 0.00 -3.95 -0.07 0.00 -1.56 0.00 0.00 34.95 29.37 1t17 s ARG 69 CO -0.06 -1.46 0.61 0.54 -0.81 0.00 0.00 175.30 174.13 1t17 s VAL 70 N 4.83 4.67 -0.16 7.11 0.11 0.22 -1.46 120.40 135.73 1t17 s VAL 70 Ca 0.53 1.30 -0.01 0.00 -2.93 0.00 0.00 61.98 60.87 1t17 s VAL 70 Cb -0.09 -3.94 0.04 0.00 -1.53 0.00 0.00 36.38 30.86 1t17 s VAL 70 CO 0.32 0.54 -0.02 -0.13 -3.33 0.00 0.00 175.10 172.48 1t17 s ARG 71 N -1.14 1.12 0.18 1.54 0.52 0.36 -1.39 118.95 120.15 1t17 s ARG 71 Ca 0.30 -0.40 0.07 0.00 -0.52 0.00 0.00 55.73 55.19 1t17 s ARG 71 Cb -0.20 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 1t17 s ARG 71 CO 0.20 -0.46 0.04 -0.98 0.02 0.00 0.00 175.30 174.12 1t17 s ARG 72 N 1.74 2.53 -0.12 3.54 1.70 0.84 -1.14 118.95 128.04 1t17 s ARG 72 Ca 0.01 -1.08 -0.06 0.00 -0.47 0.00 0.00 55.73 54.13 1t17 s ARG 72 Cb -0.15 -2.41 0.06 0.00 -0.57 0.00 0.00 34.95 31.87 1t17 s ARG 72 CO -0.07 0.45 0.27 0.34 -1.08 0.00 0.00 175.30 175.21 1t17 s ASP 73 N -3.09 -0.08 0.01 -2.89 3.68 -1.14 -0.33 116.67 112.83 1t17 s ASP 73 Ca 0.29 0.60 0.24 0.00 2.13 0.00 0.00 52.55 55.81 1t17 s ASP 73 Cb -0.09 0.57 0.33 0.00 -1.45 0.00 0.00 42.92 42.28 1t17 s ASP 73 CO 0.20 -0.20 1.28 2.29 0.13 0.00 0.00 175.17 178.88 1t17 n LYS 74 N 4.65 0.05 -0.02 4.34 2.85 0.20 -0.61 118.16 129.61 1t17 n LYS 74 Ca -0.18 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.13 1t17 n LYS 74 Cb 0.52 -1.52 -0.15 0.00 -0.65 0.00 0.00 35.03 33.23 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 -1.58 0.13 -0.06 -5.58 9.92 -1.23 -4.34 116.55 113.81 1t17 n ASP 75 Ca 0.05 0.05 -0.02 0.00 -0.53 0.00 0.00 54.79 54.34 1t17 n ASP 75 Cb 0.35 1.48 -0.13 0.00 -0.64 0.00 0.00 41.12 42.19 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t17 n ALA 76 N -2.39 1.95 -3.10 2.24 0.00 -1.25 -5.00 120.51 112.96 1t17 n ALA 76 Ca -0.12 -0.85 -0.21 0.00 0.00 0.00 0.00 53.44 52.27 1t17 n ALA 76 Cb 0.75 -0.26 0.04 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.43 -5.25 -4.18 0.00 5.12 0.22 -4.63 116.66 105.51 1t17 n ARG 77 Ca -0.19 0.81 -0.16 0.00 -1.93 0.00 0.00 57.85 56.38 1t17 n ARG 77 Cb 0.83 -5.53 -0.11 0.00 -1.16 0.00 0.00 32.46 26.49 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1t17 s SER 78 N -2.89 1.62 0.02 0.55 1.04 -1.22 -1.10 113.70 111.71 1t17 s SER 78 Ca 0.35 -0.74 0.09 0.00 0.48 0.00 0.00 55.95 56.12 1t17 s SER 78 Cb -0.15 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 1t17 s SER 78 CO 0.43 -0.18 -0.26 -0.63 0.98 0.00 0.00 173.24 173.58 1t17 s ILE 79 N -1.98 2.12 -0.07 -1.02 -1.09 0.32 -2.90 121.20 116.57 1t17 s ILE 79 Ca 0.03 -1.27 -0.05 0.00 -2.23 0.00 0.00 60.65 57.13 1t17 s ILE 79 Cb -0.06 -1.78 0.02 0.00 -1.58 0.00 0.00 42.46 39.06 1t17 s ILE 79 CO 0.01 0.45 0.17 -0.62 -1.23 0.00 0.00 174.94 173.73 1t17 s ASP 80 N -0.98 -0.17 -0.04 3.58 -1.08 -0.29 0.18 116.67 117.87 1t17 s ASP 80 Ca 0.11 0.34 0.01 0.00 -0.52 0.00 0.00 52.55 52.49 1t17 s ASP 80 Cb -0.10 0.31 0.02 0.00 -1.46 0.00 0.00 42.92 41.70 1t17 s ASP 80 CO 0.01 -0.08 -0.03 -0.69 0.52 0.00 0.00 175.17 174.89 1t17 s VAL 81 N 0.39 0.44 0.29 1.11 1.01 0.54 0.14 120.40 124.32 1t17 s VAL 81 Ca -0.03 -0.08 0.11 0.00 0.00 0.00 0.00 61.98 61.98 1t17 s VAL 81 Cb -0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1t17 s VAL 81 CO -0.02 0.20 -0.16 -0.44 0.00 0.00 0.00 175.10 174.68 1t17 s SER 82 N 0.85 3.52 0.19 3.32 0.01 -0.53 -0.89 113.70 120.17 1t17 s SER 82 Ca -0.11 -1.09 -0.31 0.00 1.31 0.00 0.00 55.95 55.75 1t17 s SER 82 Cb -0.13 -0.30 -0.10 0.00 0.21 0.00 0.00 66.02 65.70 1t17 s SER 82 CO -0.00 -0.07 1.56 -0.22 0.41 0.00 0.00 173.24 174.92 1t17 s LEU 83 N -3.52 4.37 0.09 2.44 2.96 -0.91 -0.36 118.68 123.75 1t17 s LEU 83 Ca 0.30 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.89 1t17 s LEU 83 Cb -0.02 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1t17 s LEU 83 CO 0.15 -0.82 0.00 -0.11 -1.32 0.00 0.00 176.35 174.25 1t17 n LEU 84 N 3.52 0.57 0.00 -0.68 0.00 -1.22 -4.66 117.00 114.53 1t17 n LEU 84 Ca 0.12 0.13 0.00 0.00 0.00 0.00 0.00 56.01 56.26 1t17 n LEU 84 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 43.42 43.67 1t17 n LEU 84 CO 0.62 -0.52 0.08 0.00 0.00 0.00 0.00 177.39 177.56 1t17 n TYR 85 N -3.29 0.00 0.00 1.96 4.19 -1.07 -5.01 117.16 113.95 1t17 n TYR 85 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1t17 n TYR 85 Cb 0.15 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.98 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1t17 n GLY 86 N 0.22 -2.73 3.58 2.98 0.00 -0.82 -4.77 105.19 103.66 1t17 n GLY 86 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1t17 n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t17 s PRO 87 N 0.00 3.35 -0.86 1.61 0.04 -1.26 -4.91 135.00 132.97 1t17 s PRO 87 Ca 0.00 0.68 -0.26 0.00 0.04 0.00 0.00 61.00 61.47 1t17 s PRO 87 Cb 0.00 -4.11 -0.14 0.00 0.04 0.00 0.00 34.50 30.29 1t17 s PRO 87 CO 0.00 -1.86 2.30 -0.06 0.04 0.00 0.00 177.00 177.43 1t17 s PHE 88 N 6.08 1.23 0.00 0.56 0.08 -1.26 -3.25 117.98 121.42 1t17 s PHE 88 Ca 0.58 1.89 0.00 0.00 0.12 0.00 0.00 56.93 59.52 1t17 s PHE 88 Cb -0.12 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 38.84 1t17 s PHE 88 CO 0.28 -1.42 0.00 1.17 -0.10 0.00 0.00 175.22 175.15 1t17 n LYS 89 N 8.70 0.00 0.00 0.44 0.00 -1.26 -5.14 118.16 120.90 1t17 n LYS 89 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.76 1t17 n LYS 89 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.47 1t17 n LYS 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1t17 n ARG 90 N -2.27 0.00 -3.26 1.64 0.63 -1.20 -5.02 116.66 107.18 1t17 n ARG 90 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 1t17 n ARG 90 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 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 -0.42 -0.00 6.15 2.96 -1.26 -1.66 118.68 124.44 1t17 s LEU 91 Ca 0.00 0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1t17 s LEU 91 Cb 0.00 1.43 0.00 0.00 0.50 0.00 0.00 46.19 48.12 1t17 s LEU 91 CO 0.00 -0.08 0.01 0.20 -1.32 0.00 0.00 176.35 175.16 1t17 s ASN 92 N 2.52 0.00 -0.17 3.68 0.01 0.41 -2.14 114.94 119.26 1t17 s ASN 92 Ca -0.01 0.02 -0.07 0.00 -0.71 0.00 0.00 52.86 52.08 1t17 s ASN 92 Cb -0.06 0.00 0.07 0.00 0.41 0.00 0.00 41.25 41.67 1t17 s ASN 92 CO -0.15 -0.02 0.38 0.21 -1.51 0.00 0.00 177.10 176.01 1t17 s ASN 93 N 0.15 -0.26 -0.10 -1.22 2.47 -0.06 -1.33 114.94 114.58 1t17 s ASN 93 Ca -0.01 0.86 -0.32 0.00 0.42 0.00 0.00 52.86 53.81 1t17 s ASN 93 Cb -0.02 0.97 0.12 0.00 -1.45 0.00 0.00 41.25 40.88 1t17 s ASN 93 CO -0.00 -0.21 1.13 -0.83 -3.72 0.00 0.00 177.10 173.46 1t17 s GLY 94 N 2.04 -0.35 0.18 1.21 0.00 -1.18 0.20 107.32 109.43 1t17 s GLY 94 Ca -0.05 1.27 -0.08 0.00 0.00 0.00 0.00 44.72 45.86 1t17 s GLY 94 CO -0.12 0.41 0.27 0.66 0.00 0.00 0.00 173.10 174.32 1t17 s TRP 95 N -2.64 0.54 0.05 1.90 -2.14 0.13 -1.46 118.94 115.31 1t17 s TRP 95 Ca 0.09 -0.88 0.04 0.00 2.66 0.00 0.00 56.10 58.01 1t17 s TRP 95 Cb -0.00 -0.13 -0.02 0.00 -3.10 0.00 0.00 33.47 30.22 1t17 s TRP 95 CO -0.05 -0.73 -0.12 1.03 -2.66 0.00 0.00 176.95 174.41 1t17 s ARG 96 N -4.01 0.79 -0.27 3.25 0.52 0.12 0.12 118.95 119.47 1t17 s ARG 96 Ca 0.22 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 1t17 s ARG 96 Cb 0.04 -0.76 0.07 0.00 0.52 0.00 0.00 34.95 34.82 1t17 s ARG 96 CO 0.03 0.18 -0.03 -0.06 0.02 0.00 0.00 175.30 175.44 1t17 s PHE 97 N -1.00 2.90 0.06 -0.53 0.08 -0.26 -1.38 117.98 117.84 1t17 s PHE 97 Ca -0.01 -2.20 0.04 0.00 0.12 0.00 0.00 56.93 54.88 1t17 s PHE 97 Cb -0.08 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1t17 s PHE 97 CO 0.01 -0.85 -0.13 -1.64 -0.10 0.00 0.00 175.22 172.51 1t17 s MET 98 N 1.22 0.77 0.51 0.44 -1.94 -0.44 -4.74 119.30 115.11 1t17 s MET 98 Ca -0.02 -0.84 -0.19 0.00 -1.71 0.00 0.00 55.69 52.93 1t17 s MET 98 Cb -0.19 -0.73 -0.08 0.00 2.01 0.00 0.00 34.83 35.85 1t17 s MET 98 CO -0.08 0.16 1.04 -1.25 -0.01 0.00 0.00 175.02 174.88 1t17 s PRO 99 N -1.52 3.72 -0.39 2.03 0.04 -1.26 0.56 135.00 138.18 1t17 s PRO 99 Ca -0.03 1.32 0.07 0.00 0.04 0.00 0.00 61.00 62.40 1t17 s PRO 99 Cb -0.09 -2.08 0.18 0.00 0.04 0.00 0.00 34.50 32.54 1t17 s PRO 99 CO 0.02 -0.49 0.60 -1.21 0.04 0.00 0.00 177.00 175.95 1t17 s GLU 100 N -3.42 0.76 3.72 4.56 2.02 -0.66 -4.69 118.70 120.99 1t17 s GLU 100 Ca 0.66 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 55.45 1t17 s GLU 100 Cb -0.16 0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.10 1t17 s GLU 100 CO 0.23 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1t17 n GLY 101 N 4.56 0.54 0.12 -1.39 0.00 -1.26 -3.59 105.19 104.16 1t17 n GLY 101 Ca 0.10 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 1.16 0.00 -1.72 1.61 3.04 -2.00 -3.47 116.42 115.04 1t17 h ASP 102 Ca 0.00 -0.01 -0.57 0.00 -3.24 0.00 0.00 57.03 53.21 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 0.00 -0.54 0.00 -2.04 0.00 0.00 179.24 176.66 1t17 s ALA 103 N -3.35 3.45 0.04 4.15 0.00 -1.24 -4.79 121.76 120.03 1t17 s ALA 103 Ca 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 51.96 49.89 1t17 s ALA 103 Cb 0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1t17 s ALA 103 CO 0.78 -0.08 0.24 -0.08 0.00 0.00 0.00 175.76 176.62 1t17 s THR 104 N -2.56 5.35 -0.15 0.00 -1.32 -0.67 -1.65 115.64 114.64 1t17 s THR 104 Ca 0.39 -0.15 -0.04 0.00 -1.21 0.00 0.00 61.69 60.68 1t17 s THR 104 Cb 0.02 -3.59 -0.03 0.00 -1.51 0.00 0.00 72.50 67.39 1t17 s THR 104 CO 0.21 0.22 -0.03 -0.60 -2.21 0.00 0.00 174.62 172.22 1t17 s ARG 105 N -2.23 3.66 -0.08 7.08 3.52 0.19 -1.98 118.95 129.10 1t17 s ARG 105 Ca 0.32 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 55.47 1t17 s ARG 105 Cb -0.13 -2.93 -0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1t17 s ARG 105 CO 0.23 0.28 -0.23 0.08 -0.81 0.00 0.00 175.30 174.85 1t17 s VAL 106 N 0.27 1.95 -0.12 7.11 1.01 0.49 -1.33 120.40 129.78 1t17 s VAL 106 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1t17 s VAL 106 Cb -0.14 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1t17 s VAL 106 CO 0.03 0.54 -0.15 -1.61 0.00 0.00 0.00 175.10 173.90 1t17 s GLU 107 N 0.24 2.27 -0.15 2.72 2.02 -0.48 -1.06 118.70 124.26 1t17 s GLU 107 Ca -0.14 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.28 1t17 s GLU 107 Cb -0.17 -1.96 0.02 0.00 0.10 0.00 0.00 34.13 32.13 1t17 s GLU 107 CO 0.07 -0.10 -0.15 0.12 0.02 0.00 0.00 175.26 175.22 1t17 s PHE 108 N 1.09 2.25 -0.19 1.61 5.36 0.13 0.14 117.98 128.37 1t17 s PHE 108 Ca -0.04 -1.27 -0.06 0.00 -0.96 0.00 0.00 56.93 54.61 1t17 s PHE 108 Cb -0.14 -1.64 -0.03 0.00 -0.34 0.00 0.00 43.02 40.87 1t17 s PHE 108 CO -0.04 -0.68 0.02 0.14 -1.46 0.00 0.00 175.22 173.21 1t17 s VAL 109 N 1.42 4.24 -0.23 3.12 -7.23 -0.54 -1.51 120.40 119.67 1t17 s VAL 109 Ca 0.04 -0.22 -0.03 0.00 -1.81 0.00 0.00 61.98 59.96 1t17 s VAL 109 Cb -0.13 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.90 1t17 s VAL 109 CO -0.10 0.43 -0.05 0.27 -0.31 0.00 0.00 175.10 175.34 1t17 s ILE 110 N 0.79 3.16 -0.07 -0.62 -5.25 -0.52 -3.11 121.20 115.58 1t17 s ILE 110 Ca 0.01 -0.70 -0.02 0.00 -0.99 0.00 0.00 60.65 58.95 1t17 s ILE 110 Cb -0.14 -2.49 0.03 0.00 2.95 0.00 0.00 42.46 42.81 1t17 s ILE 110 CO 0.02 0.34 0.03 -1.61 -1.79 0.00 0.00 174.94 171.93 1t17 s GLU 111 N 1.42 0.35 0.04 0.37 2.02 -0.44 -0.41 118.70 122.06 1t17 s GLU 111 Ca 0.04 0.19 -0.16 0.00 0.02 0.00 0.00 54.97 55.05 1t17 s GLU 111 Cb -0.15 -0.86 0.03 0.00 0.10 0.00 0.00 34.13 33.25 1t17 s GLU 111 CO -0.04 -0.33 0.36 -0.06 0.02 0.00 0.00 175.26 175.21 1t17 s PHE 112 N 2.04 -0.20 -0.20 1.61 0.08 -1.07 0.16 117.98 120.40 1t17 s PHE 112 Ca 0.05 0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.19 1t17 s PHE 112 Cb -0.12 0.16 -0.00 0.00 -0.57 0.00 0.00 43.02 42.49 1t17 s PHE 112 CO -0.05 -0.54 -0.09 0.00 -0.10 0.00 0.00 175.22 174.44 1t17 s ALA 113 N -2.49 2.68 0.45 5.36 0.00 -0.67 -3.26 121.76 123.83 1t17 s ALA 113 Ca -0.05 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1t17 s ALA 113 Cb -0.01 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.59 1t17 s ALA 113 CO -0.03 -0.35 0.63 -0.06 0.00 0.00 0.00 175.76 175.95 1t17 s PHE 114 N 1.33 2.92 -0.17 0.00 0.08 -1.26 -4.83 117.98 116.05 1t17 s PHE 114 Ca 0.04 -0.19 -0.25 0.00 0.12 0.00 0.00 56.93 56.65 1t17 s PHE 114 Cb -0.14 -2.43 -0.23 0.00 -0.57 0.00 0.00 43.02 39.66 1t17 s PHE 114 CO -0.05 -0.49 0.49 0.87 -0.10 0.00 0.00 175.22 175.95 1t17 h LYS 115 N 0.48 0.00 -5.70 0.44 6.56 -1.99 -3.44 116.57 112.91 1t17 h LYS 115 Ca -0.42 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.56 1t17 h LYS 115 Cb 1.28 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.83 1t17 h LYS 115 CO 0.50 1.00 0.35 -1.12 -2.06 0.00 0.00 179.45 178.11 1t17 s SER 116 N -6.54 6.66 0.49 0.86 0.01 -1.26 -4.91 113.70 109.01 1t17 s SER 116 Ca -0.24 0.71 0.19 0.00 1.31 0.00 0.00 55.95 57.92 1t17 s SER 116 Cb 0.01 -2.39 1.22 0.00 0.21 0.00 0.00 66.02 65.07 1t17 s SER 116 CO 0.64 -0.54 2.02 0.00 0.41 0.00 0.00 173.24 175.77 1t17 h ALA 117 N 8.01 2.20 0.20 1.44 0.00 -1.99 0.65 119.26 129.77 1t17 h ALA 117 Ca -0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1t17 h ALA 117 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1t17 h ALA 117 CO 0.85 -0.31 -0.10 -0.07 0.00 0.00 0.00 179.25 179.63 1t17 h LEU 118 N 0.17 -0.23 -2.00 0.00 -0.00 -1.99 -3.03 115.31 108.23 1t17 h LEU 118 Ca 0.21 -0.30 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1t17 h LEU 118 Cb 0.61 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1t17 h LEU 118 CO -0.03 0.25 -0.04 -0.07 -0.00 0.00 0.00 178.44 178.55 1t17 h LEU 119 N -0.79 0.00 -0.15 1.67 3.38 -1.72 0.27 115.31 117.98 1t17 h LEU 119 Ca -0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1t17 h LEU 119 Cb 0.51 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1t17 h LEU 119 CO 0.05 0.04 -0.18 -0.78 0.09 0.00 0.00 178.44 177.65 1t17 h ASP 120 N 0.00 -0.57 0.09 -0.43 -0.00 0.39 1.14 116.42 117.04 1t17 h ASP 120 Ca -0.00 0.10 -0.26 0.00 -0.00 0.00 0.00 57.03 56.87 1t17 h ASP 120 Cb 0.08 0.27 0.03 0.00 -0.00 0.00 0.00 39.33 39.70 1t17 h ASP 120 CO 0.01 -0.23 -1.08 0.00 -0.00 0.00 0.00 179.24 177.94 1t17 h ALA 121 N 0.81 0.00 -0.54 -0.78 0.00 -1.29 -1.02 119.26 116.44 1t17 h ALA 121 Ca 0.10 -0.72 0.09 0.00 0.00 0.00 0.00 54.91 54.37 1t17 h ALA 121 Cb 0.38 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1t17 h ALA 121 CO -0.28 0.59 0.17 1.98 0.00 0.00 0.00 179.25 181.71 1t17 h MET 122 N 0.15 0.32 -0.06 0.00 4.05 -0.10 0.54 114.93 119.83 1t17 h MET 122 Ca -0.16 -0.02 -0.14 0.00 -0.28 0.00 0.00 59.70 59.10 1t17 h MET 122 Cb 1.77 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 32.51 1t17 h MET 122 CO 0.21 0.21 -0.49 -0.07 0.23 0.00 0.00 176.91 177.00 1t17 h LEU 123 N 0.33 0.54 -1.92 3.39 3.38 0.13 -2.83 115.31 118.34 1t17 h LEU 123 Ca 0.27 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1t17 h LEU 123 Cb 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1t17 h LEU 123 CO -0.30 1.14 0.00 0.00 0.09 0.00 0.00 178.44 179.37 1t17 h ALA 124 N 0.42 1.00 0.06 1.53 0.00 -0.55 0.15 119.26 121.88 1t17 h ALA 124 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1t17 h ALA 124 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1t17 h ALA 124 CO 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.32 1t17 h ALA 125 N 2.00 -0.09 0.00 0.00 0.00 0.32 -3.26 119.26 118.24 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 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1t17 h ALA 125 CO 0.00 -0.14 -0.22 -2.95 0.00 0.00 0.00 179.25 175.94 1t17 h ASN 126 N -0.91 0.00 -0.96 0.00 7.08 -1.21 -2.76 115.58 116.81 1t17 h ASN 126 Ca -0.01 0.00 0.30 0.00 -3.08 0.00 0.00 56.30 53.51 1t17 h ASN 126 Cb 0.59 0.00 -0.15 0.00 -2.08 0.00 0.00 38.32 36.68 1t17 h ASN 126 CO 0.01 0.22 0.44 1.62 -2.08 0.00 0.00 177.43 177.65 1t17 h VAL 127 N 0.00 0.28 -0.70 6.14 3.04 -0.77 1.63 116.25 125.87 1t17 h VAL 127 Ca -0.00 -0.09 -0.06 0.00 -1.01 0.00 0.00 66.70 65.54 1t17 h VAL 127 Cb 0.53 -0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 29.78 1t17 h VAL 127 CO 0.03 0.05 0.22 -0.78 -1.01 0.00 0.00 177.57 176.07 1t17 h ASP 128 N 0.27 1.03 0.04 3.17 1.82 -1.61 0.25 116.42 121.38 1t17 h ASP 128 Ca 0.68 -0.21 -0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1t17 h ASP 128 Cb 1.50 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1t17 h ASP 128 CO -0.64 0.97 -0.02 0.03 -1.61 0.00 0.00 179.24 177.97 1t17 h ARG 129 N 1.04 -0.05 -0.07 0.28 2.47 0.20 0.38 114.38 118.64 1t17 h ARG 129 Ca 0.23 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1t17 h ARG 129 Cb 0.31 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1t17 h ARG 129 CO -0.01 0.19 -0.00 0.00 0.56 0.00 0.00 179.97 180.71 1t17 h ALA 130 N 0.67 0.06 0.00 0.04 0.00 -0.07 0.27 119.26 120.23 1t17 h ALA 130 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1t17 h ALA 130 Cb 0.26 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1t17 h ALA 130 CO 0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 179.25 178.69 1t17 h ALA 131 N 1.06 1.77 0.01 0.00 0.00 -0.43 0.24 119.26 121.91 1t17 h ALA 131 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1t17 h ALA 131 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1t17 h ALA 131 CO -0.06 0.11 -0.01 0.78 0.00 0.00 0.00 179.25 180.08 1t17 h GLY 132 N 0.31 -0.02 1.36 0.00 0.00 0.13 -0.91 103.07 103.94 1t17 h GLY 132 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1t17 h GLY 132 CO 0.01 -0.01 -0.02 0.07 0.00 0.00 0.00 176.54 176.59 1t17 h LYS 133 N -0.55 0.78 -0.60 4.80 5.09 -0.10 -1.23 116.57 124.76 1t17 h LYS 133 Ca -0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 60.65 60.49 1t17 h LYS 133 Cb 0.53 -0.09 -0.03 0.00 0.10 0.00 0.00 32.23 32.75 1t17 h LYS 133 CO 0.00 0.80 0.25 1.25 -2.09 0.00 0.00 179.45 179.67 1t17 h LEU 134 N 0.72 0.82 -0.35 7.07 5.85 -0.52 0.15 115.31 129.04 1t17 h LEU 134 Ca 0.14 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1t17 h LEU 134 Cb 0.47 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1t17 h LEU 134 CO 0.02 0.75 0.18 0.40 -0.34 0.00 0.00 178.44 179.46 1t17 h ILE 135 N 0.83 1.15 -0.25 4.05 2.04 -0.71 -1.11 117.51 123.51 1t17 h ILE 135 Ca 0.20 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1t17 h ILE 135 Cb 0.18 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1t17 h ILE 135 CO -0.02 0.16 0.03 0.00 0.00 0.00 0.00 178.15 178.32 1t17 h ALA 136 N 1.04 1.60 0.16 1.87 0.00 -0.86 -1.10 119.26 121.97 1t17 h ALA 136 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1t17 h ALA 136 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1t17 h ALA 136 CO -0.02 0.30 -0.08 0.00 0.00 0.00 0.00 179.25 179.46 1t17 h PHE 138 N -0.31 1.14 0.16 0.00 3.57 -0.65 0.17 116.94 121.01 1t17 h PHE 138 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1t17 h PHE 138 Cb 0.24 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1t17 h PHE 138 CO -0.04 0.62 -0.08 1.49 -2.23 0.00 0.00 178.31 178.07 1t17 h GLU 139 N 1.14 -0.20 -0.92 1.11 4.81 -0.83 -0.09 114.58 119.60 1t17 h GLU 139 Ca 0.40 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.71 1t17 h GLU 139 Cb 0.12 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 1t17 h GLU 139 CO -0.14 0.06 0.58 0.00 -0.73 0.00 0.00 179.01 178.78 1t17 h ALA 140 N 0.33 1.28 -0.72 2.92 0.00 -0.15 -0.21 119.26 122.71 1t17 h ALA 140 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1t17 h ALA 140 Cb 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1t17 h ALA 140 CO 0.04 0.34 0.29 0.00 0.00 0.00 0.00 179.25 179.91 1t17 h ARG 141 N 1.05 1.05 -0.55 0.00 2.47 -0.50 0.50 114.38 118.41 1t17 h ARG 141 Ca 0.40 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 1t17 h ARG 141 Cb 0.19 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1t17 h ARG 141 CO -0.18 0.85 0.25 0.00 0.56 0.00 0.00 179.97 181.45 1t17 h ALA 142 N 1.28 0.71 -0.07 0.04 0.00 0.66 0.13 119.26 122.01 1t17 h ALA 142 Ca 0.24 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1t17 h ALA 142 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1t17 h ALA 142 CO -0.02 0.30 -0.62 0.37 0.00 0.00 0.00 179.25 179.27 1t17 h GLN 143 N 0.75 0.24 -0.39 0.00 4.15 -0.64 -1.00 115.11 118.21 1t17 h GLN 143 Ca 0.19 -0.17 -0.11 0.00 0.77 0.00 0.00 58.65 59.33 1t17 h GLN 143 Cb 0.16 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1t17 h GLN 143 CO -0.02 0.78 -0.21 0.37 -1.93 0.00 0.00 178.83 177.83 1t17 h GLN 144 N 0.17 0.76 0.02 1.69 4.15 0.50 1.35 115.11 123.77 1t17 h GLN 144 Ca -0.01 -0.30 -0.00 0.00 0.77 0.00 0.00 58.65 59.11 1t17 h GLN 144 Cb 1.14 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1t17 h GLN 144 CO 0.10 0.91 -0.01 1.25 -1.93 0.00 0.00 178.83 179.14 1t17 h LEU 145 N 0.67 -0.03 -1.21 -2.39 6.46 -0.63 -2.86 115.31 115.32 1t17 h LEU 145 Ca 0.10 -0.61 -0.08 0.00 -0.12 0.00 0.00 57.88 57.17 1t17 h LEU 145 Cb 0.71 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1t17 h LEU 145 CO 0.05 0.61 -0.35 0.45 -0.62 0.00 0.00 178.44 178.58 1t17 h HIS 146 N -0.68 0.08 0.44 1.25 3.86 -1.15 -3.11 115.15 115.84 1t17 h HIS 146 Ca -0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1t17 h HIS 146 Cb 0.63 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1t17 h HIS 146 CO 0.14 0.42 -0.38 0.78 0.86 0.00 0.00 177.93 179.76 1t17 h GLY 147 N 1.10 -0.93 0.23 2.45 0.00 0.18 -3.50 103.07 102.60 1t17 h GLY 147 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1t17 h GLY 147 CO 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 176.54 176.27