#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 1.80 -4.18 2.03 -0.00 -1.18 -4.75 115.22 108.94 1t17 n HIS 2 Ca 0.00 0.83 -0.17 0.00 -0.00 0.00 0.00 57.72 58.39 1t17 n HIS 2 Cb 0.00 -2.34 -0.11 0.00 -0.00 0.00 0.00 29.99 27.54 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 3.73 0.86 -0.02 -0.41 3.52 -1.26 -2.34 118.95 123.02 1t17 s ARG 3 Ca 1.05 -1.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 1t17 s ARG 3 Cb -1.31 -0.73 0.02 0.00 -1.56 0.00 0.00 34.95 31.37 1t17 s ARG 3 CO 0.73 0.15 -0.00 -1.01 -0.81 0.00 0.00 175.30 174.35 1t17 s HIS 4 N -1.79 0.18 -0.09 5.12 3.76 0.01 -5.00 115.29 117.48 1t17 s HIS 4 Ca 0.02 0.02 -0.02 0.00 -0.15 0.00 0.00 55.06 54.93 1t17 s HIS 4 Cb -0.07 -0.24 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 1t17 s HIS 4 CO 0.02 -0.07 -0.00 0.54 -0.85 0.00 0.00 174.74 174.38 1t17 s VAL 5 N 0.57 4.25 -0.18 -0.90 0.11 -1.26 -1.32 120.40 121.67 1t17 s VAL 5 Ca -0.05 -0.27 -0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1t17 s VAL 5 Cb -0.08 -2.79 0.06 0.00 -1.53 0.00 0.00 36.38 32.04 1t17 s VAL 5 CO -0.01 0.59 0.06 -0.69 -3.33 0.00 0.00 175.10 171.72 1t17 s VAL 6 N -0.73 0.24 -0.10 2.04 1.01 -0.29 -5.01 120.40 117.56 1t17 s VAL 6 Ca 0.11 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1t17 s VAL 6 Cb -0.12 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1t17 s VAL 6 CO 0.02 -0.21 -0.18 -0.89 0.00 0.00 0.00 175.10 173.84 1t17 s THR 7 N 1.99 1.65 0.29 3.92 2.01 -1.26 0.06 115.64 124.30 1t17 s THR 7 Ca 0.01 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1t17 s THR 7 Cb -0.16 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 1t17 s THR 7 CO -0.08 0.47 0.11 -1.59 -0.69 0.00 0.00 174.62 172.84 1t17 s LYS 8 N 0.75 1.54 -0.08 4.92 0.00 -0.53 -5.01 119.74 121.33 1t17 s LYS 8 Ca -0.11 -1.86 -0.01 0.00 0.00 0.00 0.00 55.97 53.98 1t17 s LYS 8 Cb -0.16 -0.33 0.03 0.00 0.00 0.00 0.00 37.83 37.37 1t17 s LYS 8 CO 0.02 -0.34 -0.00 0.08 0.00 0.00 0.00 175.35 175.10 1t17 s VAL 9 N -3.60 0.42 -0.26 1.79 1.01 -1.26 -1.45 120.40 117.04 1t17 s VAL 9 Ca 0.36 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 1t17 s VAL 9 Cb 0.07 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.89 1t17 s VAL 9 CO 0.15 0.25 -0.04 -0.76 0.00 0.00 0.00 175.10 174.69 1t17 s LEU 10 N 1.95 3.39 -1.20 3.92 1.43 -0.31 -4.94 118.68 122.92 1t17 s LEU 10 Ca 0.05 -0.97 -0.20 0.00 -1.03 0.00 0.00 54.13 51.98 1t17 s LEU 10 Cb -0.12 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1t17 s LEU 10 CO -0.06 -0.16 1.90 -0.81 0.23 0.00 0.00 176.35 177.46 1t17 n PRO 11 N 4.66 2.34 -2.63 1.29 -0.04 -1.26 -1.58 135.00 137.78 1t17 n PRO 11 Ca -0.16 -2.69 0.00 0.00 -0.04 0.00 0.00 63.50 60.62 1t17 n PRO 11 Cb 0.46 -3.46 0.01 0.00 -0.04 0.00 0.00 33.50 30.47 1t17 n PRO 11 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1t17 n TYR 12 N 10.01 -0.53 -2.46 0.54 4.11 -1.26 -4.93 117.16 122.64 1t17 n TYR 12 Ca 0.48 -0.40 -0.37 0.00 -0.00 0.00 0.00 57.90 57.61 1t17 n TYR 12 Cb 0.44 0.19 -0.03 0.00 -0.00 0.00 0.00 39.34 39.94 1t17 n TYR 12 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1t17 s THR 13 N -2.21 3.54 -2.00 -3.48 -4.23 -1.26 -4.36 115.64 101.64 1t17 s THR 13 Ca 0.11 1.22 0.17 0.00 -1.18 0.00 0.00 61.69 62.02 1t17 s THR 13 Cb -0.01 -3.65 0.49 0.00 1.34 0.00 0.00 72.50 70.67 1t17 s THR 13 CO 0.01 0.05 1.50 -0.81 -0.54 0.00 0.00 174.62 174.83 1t17 n PRO 14 N 0.01 0.75 -0.25 3.99 -0.04 -1.26 -3.59 135.00 134.61 1t17 n PRO 14 Ca 0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.55 1t17 n PRO 14 Cb 0.48 -1.36 0.17 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.24 -0.48 3.54 1.82 -2.01 0.55 116.42 120.08 1t17 h ASP 15 Ca 0.00 0.11 0.11 0.00 -0.39 0.00 0.00 57.03 56.86 1t17 h ASP 15 Cb 0.00 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 1t17 h ASP 15 CO 0.00 0.09 0.33 1.56 -1.61 0.00 0.00 179.24 179.62 1t17 h GLN 16 N 0.42 0.16 -0.54 0.28 1.08 -1.97 0.17 115.11 114.71 1t17 h GLN 16 Ca 0.40 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.52 1t17 h GLN 16 Cb 0.60 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1t17 h GLN 16 CO -0.40 0.11 0.07 -0.07 -0.95 0.00 0.00 178.83 177.58 1t17 h LEU 17 N 0.16 0.84 -1.24 1.46 3.38 -0.17 -2.44 115.31 117.30 1t17 h LEU 17 Ca 0.22 -0.19 0.28 0.00 0.09 0.00 0.00 57.88 58.29 1t17 h LEU 17 Cb 0.67 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.09 1t17 h LEU 17 CO -0.03 0.86 0.66 0.15 0.09 0.00 0.00 178.44 180.17 1t17 h PHE 18 N 0.83 0.76 0.00 1.13 3.04 -0.32 1.33 116.94 123.71 1t17 h PHE 18 Ca 0.17 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 61.97 1t17 h PHE 18 Cb 0.40 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 1t17 h PHE 18 CO 0.02 0.01 -0.85 0.93 -2.02 0.00 0.00 178.31 176.41 1t17 h GLU 19 N 0.40 0.00 -0.04 1.11 5.08 -1.49 -2.98 114.58 116.66 1t17 h GLU 19 Ca 0.65 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.76 1t17 h GLU 19 Cb 1.57 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.83 1t17 h GLU 19 CO -0.39 0.85 -0.93 -0.07 -1.00 0.00 0.00 179.01 177.47 1t17 h LEU 20 N 0.00 0.88 -2.09 1.33 3.38 0.11 0.84 115.31 119.76 1t17 h LEU 20 Ca -0.01 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.23 1t17 h LEU 20 Cb 1.56 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1t17 h LEU 20 CO 0.11 1.47 -0.07 0.58 0.09 0.00 0.00 178.44 180.63 1t17 h VAL 21 N 0.37 0.74 -0.18 1.22 2.07 0.12 -1.05 116.25 119.54 1t17 h VAL 21 Ca -0.11 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1t17 h VAL 21 Cb 1.59 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1t17 h VAL 21 CO 0.19 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1t17 n GLY 22 N -1.15 1.41 0.30 2.17 0.00 -1.13 -4.63 105.19 102.17 1t17 n GLY 22 Ca -0.03 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 1.83 0.06 -0.59 1.61 3.58 0.21 2.24 116.42 125.35 1t17 h ASP 23 Ca 0.00 0.18 0.17 0.00 0.42 0.00 0.00 57.03 57.80 1t17 h ASP 23 Cb 0.58 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 1t17 h ASP 23 CO 0.00 -0.11 0.85 -0.37 -2.88 0.00 0.00 179.24 176.73 1t17 h VAL 24 N 0.25 0.12 0.00 2.25 -1.51 -1.82 -2.80 116.25 112.74 1t17 h VAL 24 Ca 0.53 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.00 1t17 h VAL 24 Cb 1.03 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1t17 h VAL 24 CO -0.61 0.00 -0.01 -0.67 -1.23 0.00 0.00 177.57 175.06 1t17 n ASP 25 N -3.25 0.56 0.00 4.19 2.03 0.52 -4.11 116.55 116.49 1t17 n ASP 25 Ca 0.12 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1t17 n ASP 25 Cb 1.05 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 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 -3.00 0.00 -0.86 -1.67 0.00 0.63 -4.16 120.51 111.45 1t17 n ALA 26 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1t17 n ALA 26 Cb 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.51 0.23 0.00 0.00 4.02 -1.06 -4.80 117.16 115.03 1t17 n TYR 27 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 1t17 n TYR 27 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 39.34 38.27 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 4.38 0.00 -3.31 -0.72 -0.04 -1.26 -4.63 135.00 129.41 1t17 n PRO 28 Ca 0.38 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.39 1t17 n PRO 28 Cb 0.04 -0.24 -0.01 0.00 -0.04 0.00 0.00 33.50 33.25 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 -0.06 4.05 0.12 0.54 -2.85 -1.26 -4.95 119.74 115.33 1t17 s LYS 29 Ca 0.00 -3.00 -0.25 0.00 -1.00 0.00 0.00 55.97 51.73 1t17 s LYS 29 Cb 0.00 -4.55 0.08 0.00 -2.06 0.00 0.00 37.83 31.30 1t17 s LYS 29 CO 0.00 -1.28 1.10 0.12 0.10 0.00 0.00 175.35 175.38 1t17 s PHE 30 N -0.75 0.00 0.00 1.78 5.36 -1.26 -5.11 117.98 118.00 1t17 s PHE 30 Ca 0.28 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 1t17 s PHE 30 Cb -0.10 0.64 0.00 0.00 -0.34 0.00 0.00 43.02 43.23 1t17 s PHE 30 CO -0.08 -0.71 0.00 0.28 -1.46 0.00 0.00 175.22 173.25 1t17 n VAL 31 N -0.65 -1.41 -0.01 3.12 0.31 -1.26 -4.91 118.33 113.52 1t17 n VAL 31 Ca -0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.13 1t17 n VAL 31 Cb 0.60 -2.74 -0.10 0.00 -0.91 0.00 0.00 33.84 30.69 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 0.00 0.39 -0.56 5.55 0.13 -1.98 -3.03 132.00 132.49 1t17 h PRO 32 Ca 0.00 -0.37 0.16 0.00 -0.87 0.00 0.00 66.00 64.92 1t17 h PRO 32 Cb 0.00 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.20 1t17 h PRO 32 CO 0.00 1.04 0.71 0.11 -0.23 0.00 0.00 178.00 179.63 1t17 h TRP 33 N -0.13 0.00 -4.61 1.56 0.09 -1.95 -3.40 115.95 107.51 1t17 h TRP 33 Ca -0.05 0.00 -0.29 0.00 0.09 0.00 0.00 58.89 58.64 1t17 h TRP 33 Cb 1.18 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 30.38 1t17 h TRP 33 CO 0.14 0.00 -0.18 1.51 0.09 0.00 0.00 178.44 180.00 1t17 n ILE 34 N -3.43 0.00 0.00 0.12 3.06 -1.14 -4.73 119.36 113.24 1t17 n ILE 34 Ca 0.11 -1.05 0.00 0.00 -2.50 0.00 0.00 62.75 59.31 1t17 n ILE 34 Cb 0.91 0.03 0.00 0.00 0.54 0.00 0.00 39.64 41.12 1t17 n ILE 34 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 1t17 n THR 35 N -0.76 0.00 -3.34 9.51 5.66 -1.24 -4.66 114.28 119.45 1t17 n THR 35 Ca -0.06 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.63 1t17 n THR 35 Cb 0.29 -0.04 -0.05 0.00 -1.55 0.00 0.00 70.33 68.98 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 -1.33 2.13 -0.04 1.09 0.00 -1.26 -4.91 107.32 102.99 1t17 s GLY 36 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.17 1t17 s GLY 36 CO 0.00 -0.22 0.43 -0.29 0.00 0.00 0.00 173.10 173.03 1t17 s MET 37 N -3.13 0.76 -0.28 2.90 1.75 -1.26 -1.16 119.30 118.88 1t17 s MET 37 Ca 0.47 0.04 -0.20 0.00 -1.25 0.00 0.00 55.69 54.74 1t17 s MET 37 Cb -0.11 0.35 0.11 0.00 2.84 0.00 0.00 34.83 38.02 1t17 s MET 37 CO 0.25 -0.21 0.86 0.50 -0.65 0.00 0.00 175.02 175.77 1t17 s ARG 38 N -1.09 0.60 -0.09 4.11 6.06 -0.12 -4.95 118.95 123.47 1t17 s ARG 38 Ca -0.11 0.87 -0.02 0.00 -2.50 0.00 0.00 55.73 53.97 1t17 s ARG 38 Cb -0.04 0.21 0.03 0.00 0.06 0.00 0.00 34.95 35.21 1t17 s ARG 38 CO 0.05 -0.10 0.01 0.95 -2.50 0.00 0.00 175.30 173.71 1t17 s THR 39 N 0.94 0.38 0.00 4.11 -4.23 -1.26 -1.19 115.64 114.39 1t17 s THR 39 Ca -0.04 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1t17 s THR 39 Cb -0.05 -0.59 0.00 0.00 1.34 0.00 0.00 72.50 73.20 1t17 s THR 39 CO -0.11 0.19 0.00 -2.67 -0.54 0.00 0.00 174.62 171.49 1t17 n TRP 40 N 5.14 0.00 -2.23 3.99 2.14 -1.10 -5.00 117.44 120.37 1t17 n TRP 40 Ca -0.07 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.48 1t17 n TRP 40 Cb 0.50 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.98 1t17 n TRP 40 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1t17 n ASN 41 N 0.00 -3.37 0.00 -0.67 3.02 -1.26 -1.74 115.26 111.24 1t17 n ASN 41 Ca 0.00 0.89 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 1t17 n ASN 41 Cb 0.00 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 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 0.77 -0.72 3.43 7.41 0.00 -1.26 -1.28 105.19 113.54 1t17 n GLY 42 Ca -0.14 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.30 1.26 -0.08 1.61 1.70 0.13 -4.98 118.95 118.29 1t17 s ARG 43 Ca 0.00 -0.70 0.01 0.00 -0.47 0.00 0.00 55.73 54.57 1t17 s ARG 43 Cb 0.00 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 1t17 s ARG 43 CO 0.00 -0.53 -0.08 0.54 -1.08 0.00 0.00 175.30 174.15 1t17 s VAL 44 N -3.82 0.96 -0.02 4.99 0.11 -1.26 -1.09 120.40 120.27 1t17 s VAL 44 Ca 0.05 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1t17 s VAL 44 Cb -0.00 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1t17 s VAL 44 CO -0.09 0.34 -0.06 -0.62 -3.33 0.00 0.00 175.10 171.34 1t17 s ASP 45 N 1.20 0.90 0.38 3.54 -1.08 -0.27 -5.02 116.67 116.32 1t17 s ASP 45 Ca -0.05 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.85 1t17 s ASP 45 Cb -0.14 -0.28 0.00 0.00 -1.46 0.00 0.00 42.92 41.04 1t17 s ASP 45 CO -0.02 0.02 0.00 0.61 0.52 0.00 0.00 175.17 176.30 1t17 n GLY 46 N 3.47 2.72 2.32 2.66 0.00 -1.26 0.40 105.19 115.49 1t17 n GLY 46 Ca -0.19 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1t17 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t17 n ALA 47 N 8.45 6.28 -2.95 4.61 0.00 -1.26 -4.91 120.51 130.73 1t17 n ALA 47 Ca 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 53.44 49.91 1t17 n ALA 47 Cb 0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 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 -4.69 0.19 -0.04 0.00 1.01 0.16 -0.59 120.40 116.43 1t17 s VAL 48 Ca 0.64 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1t17 s VAL 48 Cb 0.51 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 36.60 1t17 s VAL 48 CO 0.00 -0.45 0.09 -0.44 0.00 0.00 0.00 175.10 174.30 1t17 s SER 49 N -1.41 0.07 -0.12 3.32 0.01 0.50 -1.11 113.70 114.95 1t17 s SER 49 Ca -0.14 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.30 1t17 s SER 49 Cb -0.10 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.21 1t17 s SER 49 CO -0.01 -0.15 -0.14 -0.89 0.41 0.00 0.00 173.24 172.47 1t17 s THR 50 N 1.23 1.44 0.29 1.44 2.01 -0.25 -0.48 115.64 121.31 1t17 s THR 50 Ca -0.08 -0.58 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 1t17 s THR 50 Cb -0.12 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.05 1t17 s THR 50 CO -0.04 0.43 0.53 0.68 -0.69 0.00 0.00 174.62 175.53 1t17 s VAL 51 N 1.21 0.00 0.26 3.82 -7.23 -0.55 0.20 120.40 118.11 1t17 s VAL 51 Ca -0.02 -1.38 -0.26 0.00 -1.81 0.00 0.00 61.98 58.51 1t17 s VAL 51 Cb -0.14 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.35 1t17 s VAL 51 CO -0.05 0.00 0.88 -1.81 -0.31 0.00 0.00 175.10 173.81 1t17 s ASP 52 N -3.06 7.40 -0.29 4.85 1.01 -0.41 0.45 116.67 126.62 1t17 s ASP 52 Ca 0.23 1.78 0.02 0.00 0.71 0.00 0.00 52.55 55.28 1t17 s ASP 52 Cb -0.01 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.43 1t17 s ASP 52 CO 0.12 0.07 -0.04 0.00 0.21 0.00 0.00 175.17 175.52 1t17 s ALA 53 N -1.39 2.71 -0.36 5.23 0.00 0.61 -2.71 121.76 125.85 1t17 s ALA 53 Ca 0.44 -1.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.42 1t17 s ALA 53 Cb -0.21 -1.77 0.05 0.00 0.00 0.00 0.00 23.12 21.18 1t17 s ALA 53 CO 0.26 -1.31 0.15 -2.00 0.00 0.00 0.00 175.76 172.86 1t17 s GLU 54 N 1.12 2.61 0.34 0.00 2.12 -0.33 -0.85 118.70 123.71 1t17 s GLU 54 Ca -0.05 -1.25 0.06 0.00 0.36 0.00 0.00 54.97 54.10 1t17 s GLU 54 Cb -0.20 -3.55 -0.07 0.00 0.26 0.00 0.00 34.13 30.57 1t17 s GLU 54 CO -0.04 -0.74 -0.01 0.00 -0.54 0.00 0.00 175.26 173.93 1t17 s ALA 55 N 1.41 2.68 0.42 6.30 0.00 -0.69 -0.94 121.76 130.94 1t17 s ALA 55 Ca -0.00 -2.10 0.03 0.00 0.00 0.00 0.00 51.96 49.89 1t17 s ALA 55 Cb -0.20 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1t17 s ALA 55 CO 0.03 -0.13 0.08 -0.65 0.00 0.00 0.00 175.76 175.09 1t17 s GLN 56 N -3.75 1.95 -0.09 0.00 -0.21 -0.31 -1.74 119.66 115.50 1t17 s GLN 56 Ca 0.34 -2.19 0.00 0.00 0.02 0.00 0.00 55.36 53.53 1t17 s GLN 56 Cb 0.07 -0.91 0.02 0.00 1.00 0.00 0.00 33.01 33.19 1t17 s GLN 56 CO 0.15 -0.39 -0.07 0.14 -2.12 0.00 0.00 175.29 173.01 1t17 s VAL 57 N -3.12 0.87 0.00 1.09 -7.23 -1.16 -3.64 120.40 107.21 1t17 s VAL 57 Ca 0.22 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 1t17 s VAL 57 Cb 0.04 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 36.08 1t17 s VAL 57 CO 0.12 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 1t17 n GLY 58 N 4.69 0.43 1.96 2.32 0.00 -1.26 -4.17 105.19 109.15 1t17 n GLY 58 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.57 0.17 0.29 1.61 -0.00 -1.26 -3.87 117.46 113.82 1t17 n PHE 59 Ca 0.00 -1.46 0.07 0.00 -0.00 0.00 0.00 57.45 56.05 1t17 n PHE 59 Cb 0.00 -1.38 0.10 0.00 -0.00 0.00 0.00 39.48 38.20 1t17 n PHE 59 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1t17 n SER 60 N 2.14 2.49 0.00 -2.13 3.41 -1.26 -4.94 113.62 113.33 1t17 n SER 60 Ca 0.36 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1t17 n SER 60 Cb 0.81 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1t17 n SER 60 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1t17 n PHE 61 N 0.75 0.00 -3.54 7.33 7.35 -1.25 -4.91 117.46 123.19 1t17 n PHE 61 Ca 0.10 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.53 1t17 n PHE 61 Cb 0.38 -0.40 -0.15 0.00 0.35 0.00 0.00 39.48 39.67 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 0.00 0.33 -0.91 -2.13 0.20 -1.26 -5.08 118.68 109.84 1t17 s LEU 62 Ca 0.00 -0.96 -0.23 0.00 0.69 0.00 0.00 54.13 53.64 1t17 s LEU 62 Cb 0.00 -0.15 0.07 0.00 -0.43 0.00 0.00 46.19 45.68 1t17 s LEU 62 CO 0.00 -0.40 1.29 -0.60 -0.29 0.00 0.00 176.35 176.35 1t17 s ARG 63 N 2.16 3.46 0.13 1.98 6.06 -1.26 -4.60 118.95 126.88 1t17 s ARG 63 Ca 0.07 -1.06 -0.07 0.00 -2.50 0.00 0.00 55.73 52.17 1t17 s ARG 63 Cb -0.16 -4.91 -0.02 0.00 0.06 0.00 0.00 34.95 29.93 1t17 s ARG 63 CO -0.27 -2.06 0.19 -1.21 -2.50 0.00 0.00 175.30 169.45 1t17 s GLU 64 N 4.51 0.98 0.10 5.12 2.02 -1.26 -5.03 118.70 125.14 1t17 s GLU 64 Ca 0.38 -1.17 0.07 0.00 0.02 0.00 0.00 54.97 54.27 1t17 s GLU 64 Cb -0.05 0.33 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1t17 s GLU 64 CO -0.03 -0.32 -0.11 -1.59 0.02 0.00 0.00 175.26 173.23 1t17 s LYS 65 N -3.95 2.08 0.06 1.61 -2.85 -1.26 -2.98 119.74 112.44 1t17 s LYS 65 Ca 0.14 -1.04 -0.05 0.00 -1.00 0.00 0.00 55.97 54.02 1t17 s LYS 65 Cb 0.05 -2.28 -0.02 0.00 -2.06 0.00 0.00 37.83 33.52 1t17 s LYS 65 CO -0.04 0.50 0.07 -0.06 0.10 0.00 0.00 175.35 175.93 1t17 s PHE 66 N -1.20 0.31 0.00 1.78 0.40 -0.71 -4.99 117.98 113.57 1t17 s PHE 66 Ca 0.21 -0.75 -0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1t17 s PHE 66 Cb -0.11 -0.21 -0.00 0.00 0.51 0.00 0.00 43.02 43.20 1t17 s PHE 66 CO 0.13 -0.43 -0.00 0.00 0.70 0.00 0.00 175.22 175.62 1t17 s ALA 67 N -3.51 0.02 0.31 5.36 0.00 -1.26 -1.70 121.76 120.98 1t17 s ALA 67 Ca 0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 1t17 s ALA 67 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1t17 s ALA 67 CO -0.09 -0.04 0.48 0.95 0.00 0.00 0.00 175.76 177.06 1t17 s THR 68 N -0.39 0.00 -0.44 0.00 -4.23 -0.03 -0.07 115.64 110.48 1t17 s THR 68 Ca -0.04 -1.51 -0.17 0.00 -1.18 0.00 0.00 61.69 58.78 1t17 s THR 68 Cb -0.03 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.33 1t17 s THR 68 CO -0.00 0.00 0.46 -0.60 -0.54 0.00 0.00 174.62 173.94 1t17 s ARG 69 N -3.36 3.08 -0.03 3.99 3.52 0.79 0.23 118.95 127.16 1t17 s ARG 69 Ca 0.27 -0.86 -0.16 0.00 -0.13 0.00 0.00 55.73 54.85 1t17 s ARG 69 Cb -0.00 -4.01 -0.05 0.00 -1.56 0.00 0.00 34.95 29.32 1t17 s ARG 69 CO 0.15 -0.93 0.44 0.54 -0.81 0.00 0.00 175.30 174.69 1t17 s VAL 70 N 2.14 5.05 -0.13 7.11 0.11 0.17 -1.31 120.40 133.55 1t17 s VAL 70 Ca 0.11 0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 60.05 1t17 s VAL 70 Cb -0.18 -3.76 0.03 0.00 -1.53 0.00 0.00 36.38 30.94 1t17 s VAL 70 CO 0.12 0.50 -0.08 -0.13 -3.33 0.00 0.00 175.10 172.18 1t17 s ARG 71 N -0.55 1.63 0.12 1.54 0.52 0.14 -1.48 118.95 120.87 1t17 s ARG 71 Ca 0.24 -0.37 0.09 0.00 -0.52 0.00 0.00 55.73 55.17 1t17 s ARG 71 Cb -0.16 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 1t17 s ARG 71 CO 0.13 -0.31 -0.18 -0.98 0.02 0.00 0.00 175.30 173.98 1t17 s ARG 72 N 1.65 1.76 -0.11 3.54 1.70 0.37 -1.50 118.95 126.36 1t17 s ARG 72 Ca 0.04 -1.20 -0.06 0.00 -0.47 0.00 0.00 55.73 54.04 1t17 s ARG 72 Cb -0.13 -2.10 0.05 0.00 -0.57 0.00 0.00 34.95 32.20 1t17 s ARG 72 CO -0.08 0.47 0.26 0.34 -1.08 0.00 0.00 175.30 175.21 1t17 s ASP 73 N -2.18 -0.23 0.01 -2.89 -1.08 -1.11 -0.37 116.67 108.82 1t17 s ASP 73 Ca 0.18 0.57 0.23 0.00 -0.52 0.00 0.00 52.55 53.01 1t17 s ASP 73 Cb -0.10 0.48 0.02 0.00 -1.46 0.00 0.00 42.92 41.85 1t17 s ASP 73 CO 0.10 -0.18 1.04 2.29 0.52 0.00 0.00 175.17 178.94 1t17 n LYS 74 N 4.35 0.11 -0.00 4.34 2.85 0.24 -1.62 118.16 128.42 1t17 n LYS 74 Ca -0.23 -0.01 -0.01 0.00 -1.05 0.00 0.00 58.31 57.01 1t17 n LYS 74 Cb 0.53 -1.52 -0.11 0.00 -0.65 0.00 0.00 35.03 33.27 1t17 n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1t17 n ASP 75 N -1.66 0.58 -0.03 -5.58 -0.08 -1.22 -4.16 116.55 104.40 1t17 n ASP 75 Ca 0.03 0.26 0.06 0.00 -1.51 0.00 0.00 54.79 53.63 1t17 n ASP 75 Cb 0.37 0.55 -0.15 0.00 2.34 0.00 0.00 41.12 44.22 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1t17 n ALA 76 N -2.46 2.47 -3.13 -1.67 0.00 -1.25 -4.99 120.51 109.47 1t17 n ALA 76 Ca -0.14 -0.64 -0.22 0.00 0.00 0.00 0.00 53.44 52.44 1t17 n ALA 76 Cb 0.88 -0.56 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 0.54 0.00 0.00 0.00 177.50 178.04 1t17 n ARG 77 N -2.30 -5.50 -4.22 0.00 1.74 -0.64 -4.99 116.66 100.75 1t17 n ARG 77 Ca -0.10 0.86 -0.13 0.00 -0.77 0.00 0.00 57.85 57.72 1t17 n ARG 77 Cb 0.65 -5.70 -0.10 0.00 -1.02 0.00 0.00 32.46 26.29 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1t17 s SER 78 N -2.87 1.55 -0.02 0.55 1.04 -1.20 -4.16 113.70 108.60 1t17 s SER 78 Ca 0.36 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.82 1t17 s SER 78 Cb -0.16 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1t17 s SER 78 CO 0.45 -0.37 -0.07 -0.63 0.98 0.00 0.00 173.24 173.59 1t17 s ILE 79 N -3.36 0.62 -0.05 -1.02 -1.09 -0.82 -2.75 121.20 112.73 1t17 s ILE 79 Ca 0.14 -0.29 -0.05 0.00 -2.23 0.00 0.00 60.65 58.22 1t17 s ILE 79 Cb 0.03 -0.54 0.01 0.00 -1.58 0.00 0.00 42.46 40.38 1t17 s ILE 79 CO -0.01 0.19 0.14 -0.62 -1.23 0.00 0.00 174.94 173.41 1t17 s ASP 80 N 0.08 -0.13 0.02 3.58 -1.08 -0.56 -0.68 116.67 117.90 1t17 s ASP 80 Ca -0.01 0.23 0.02 0.00 -0.52 0.00 0.00 52.55 52.28 1t17 s ASP 80 Cb -0.06 0.28 -0.02 0.00 -1.46 0.00 0.00 42.92 41.67 1t17 s ASP 80 CO -0.00 -0.08 -0.07 -0.69 0.52 0.00 0.00 175.17 174.85 1t17 s VAL 81 N -0.07 0.50 0.11 1.11 1.01 0.47 0.24 120.40 123.77 1t17 s VAL 81 Ca -0.01 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1t17 s VAL 81 Cb -0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1t17 s VAL 81 CO 0.00 -0.15 -0.10 -0.44 0.00 0.00 0.00 175.10 174.42 1t17 s SER 82 N -0.92 1.48 0.22 3.32 0.01 -0.43 -1.33 113.70 116.05 1t17 s SER 82 Ca -0.04 -0.89 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 1t17 s SER 82 Cb -0.06 0.02 -0.10 0.00 0.21 0.00 0.00 66.02 66.08 1t17 s SER 82 CO 0.00 -0.31 1.45 -0.22 0.41 0.00 0.00 173.24 174.57 1t17 s LEU 83 N -2.70 4.38 0.11 2.44 1.98 -1.21 -0.15 118.68 123.54 1t17 s LEU 83 Ca 0.09 2.61 0.00 0.00 -2.89 0.00 0.00 54.13 53.94 1t17 s LEU 83 Cb -0.00 -3.61 0.00 0.00 0.66 0.00 0.00 46.19 43.23 1t17 s LEU 83 CO -0.01 -0.71 0.00 -0.11 -1.89 0.00 0.00 176.35 173.64 1t17 n LEU 84 N 2.78 0.74 0.00 -0.68 0.00 -1.23 -4.71 117.00 113.90 1t17 n LEU 84 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 56.01 56.26 1t17 n LEU 84 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 43.42 43.65 1t17 n LEU 84 CO 0.60 -0.64 0.06 -1.22 0.00 0.00 0.00 177.39 176.19 1t17 n TYR 85 N -3.40 0.00 0.00 1.96 4.02 -0.83 -5.00 117.16 113.91 1t17 n TYR 85 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1t17 n TYR 85 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1t17 n GLY 86 N 0.24 -2.79 3.56 2.72 0.00 0.89 -4.65 105.19 105.16 1t17 n GLY 86 Ca 0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 3.00 -1.03 1.61 0.04 -1.26 -4.90 135.00 132.46 1t17 s PRO 87 Ca 0.00 -0.28 -0.25 0.00 0.04 0.00 0.00 61.00 60.51 1t17 s PRO 87 Cb 0.00 -4.75 -0.13 0.00 0.04 0.00 0.00 34.50 29.65 1t17 s PRO 87 CO 0.00 -2.60 2.08 -0.06 0.04 0.00 0.00 177.00 176.46 1t17 s PHE 88 N 7.40 1.54 0.00 0.56 0.08 -1.26 -2.97 117.98 123.32 1t17 s PHE 88 Ca 0.54 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.97 1t17 s PHE 88 Cb -0.07 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 38.70 1t17 s PHE 88 CO 0.06 -1.20 0.00 1.17 -0.10 0.00 0.00 175.22 175.15 1t17 n LYS 89 N 8.45 0.00 0.00 0.44 0.00 -1.26 -5.14 118.16 120.65 1t17 n LYS 89 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.74 1t17 n LYS 89 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 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 -1.66 0.00 -3.65 1.64 0.63 -1.16 -5.03 116.66 107.43 1t17 n ARG 90 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1t17 n ARG 90 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 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 -0.14 -0.08 6.15 2.96 -1.26 -1.18 118.68 125.14 1t17 s LEU 91 Ca 0.00 0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 54.00 1t17 s LEU 91 Cb 0.00 1.26 0.04 0.00 0.50 0.00 0.00 46.19 47.98 1t17 s LEU 91 CO 0.00 -0.04 0.40 0.20 -1.32 0.00 0.00 176.35 175.59 1t17 s ASN 92 N 0.21 -0.35 0.04 3.68 -0.87 -0.42 -3.30 114.94 113.93 1t17 s ASN 92 Ca 0.05 0.49 -0.10 0.00 -1.57 0.00 0.00 52.86 51.72 1t17 s ASN 92 Cb -0.05 0.57 0.01 0.00 -0.02 0.00 0.00 41.25 41.76 1t17 s ASN 92 CO -0.13 -0.34 0.21 0.20 -2.57 0.00 0.00 177.10 174.46 1t17 s ASN 93 N -0.66 0.02 0.00 -1.22 -0.87 -0.44 0.26 114.94 112.03 1t17 s ASN 93 Ca -0.08 -0.36 0.00 0.00 -1.57 0.00 0.00 52.86 50.85 1t17 s ASN 93 Cb -0.04 0.30 0.00 0.00 -0.02 0.00 0.00 41.25 41.49 1t17 s ASN 93 CO 0.03 -0.57 0.00 0.61 -2.57 0.00 0.00 177.10 174.60 1t17 n GLY 94 N 0.64 1.34 3.32 0.66 0.00 -1.12 0.18 105.19 110.20 1t17 n GLY 94 Ca -0.19 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 1t17 n GLY 94 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t17 s TRP 95 N -2.00 1.84 0.02 1.61 0.52 0.14 -1.50 118.94 119.57 1t17 s TRP 95 Ca 0.00 -0.44 0.02 0.00 0.02 0.00 0.00 56.10 55.70 1t17 s TRP 95 Cb 0.00 -0.96 -0.01 0.00 -1.15 0.00 0.00 33.47 31.35 1t17 s TRP 95 CO 0.00 0.29 -0.06 1.03 0.02 0.00 0.00 176.95 178.23 1t17 s ARG 96 N -2.41 0.42 -0.14 4.98 1.81 0.30 -1.95 118.95 121.97 1t17 s ARG 96 Ca 0.12 -0.44 -0.04 0.00 -1.72 0.00 0.00 55.73 53.65 1t17 s ARG 96 Cb -0.08 -0.29 0.05 0.00 -0.45 0.00 0.00 34.95 34.19 1t17 s ARG 96 CO 0.06 0.06 0.07 -0.06 -0.68 0.00 0.00 175.30 174.75 1t17 s PHE 97 N -0.74 0.27 -0.03 -0.53 0.08 -1.26 -0.11 117.98 115.65 1t17 s PHE 97 Ca -0.05 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.81 1t17 s PHE 97 Cb -0.06 -0.68 0.00 0.00 -0.57 0.00 0.00 43.02 41.71 1t17 s PHE 97 CO 0.00 -0.44 -0.12 -1.64 -0.10 0.00 0.00 175.22 172.92 1t17 s MET 98 N 2.11 1.31 0.48 0.44 -1.94 0.69 -4.97 119.30 117.42 1t17 s MET 98 Ca 0.03 -0.42 -0.21 0.00 -1.71 0.00 0.00 55.69 53.38 1t17 s MET 98 Cb -0.15 -1.17 -0.09 0.00 2.01 0.00 0.00 34.83 35.43 1t17 s MET 98 CO -0.07 0.16 1.04 -1.25 -0.01 0.00 0.00 175.02 174.88 1t17 s PRO 99 N 0.17 3.83 -0.42 2.03 0.04 -1.26 0.16 135.00 139.56 1t17 s PRO 99 Ca -0.04 1.37 0.09 0.00 0.04 0.00 0.00 61.00 62.46 1t17 s PRO 99 Cb -0.10 -2.13 0.30 0.00 0.04 0.00 0.00 34.50 32.61 1t17 s PRO 99 CO 0.01 -0.40 0.81 0.39 0.04 0.00 0.00 177.00 177.84 1t17 n GLU 100 N -0.89 0.90 0.00 4.56 1.02 -0.63 -4.78 120.64 120.81 1t17 n GLU 100 Ca 0.09 -2.73 0.00 0.00 -0.02 0.00 0.00 57.16 54.50 1t17 n GLU 100 Cb 0.52 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1t17 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t17 n GLY 101 N 0.76 0.88 0.15 0.62 0.00 -1.26 -4.01 105.19 102.32 1t17 n GLY 101 Ca 0.17 -1.35 0.02 0.00 0.00 0.00 0.00 46.02 44.86 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 1.08 0.00 -2.07 1.61 2.03 -1.99 -3.44 116.42 113.63 1t17 h ASP 102 Ca 0.00 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.82 1t17 h ASP 102 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1t17 h ASP 102 CO 0.00 0.54 -0.46 0.00 -1.03 0.00 0.00 179.24 178.29 1t17 s ALA 103 N -3.41 3.80 0.07 4.15 0.00 -1.26 -4.13 121.76 120.99 1t17 s ALA 103 Ca 0.00 -1.43 0.08 0.00 0.00 0.00 0.00 51.96 50.61 1t17 s ALA 103 Cb 0.11 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1t17 s ALA 103 CO 0.73 0.16 -0.17 -0.08 0.00 0.00 0.00 175.76 176.41 1t17 s THR 104 N -2.14 2.90 -0.14 0.00 -1.32 -0.62 -1.61 115.64 112.71 1t17 s THR 104 Ca 0.36 -1.29 -0.03 0.00 -1.21 0.00 0.00 61.69 59.52 1t17 s THR 104 Cb -0.08 -2.28 -0.03 0.00 -1.51 0.00 0.00 72.50 68.61 1t17 s THR 104 CO 0.27 0.23 -0.05 -0.60 -2.21 0.00 0.00 174.62 172.26 1t17 s ARG 105 N -1.77 3.57 -0.03 7.08 3.00 0.12 -1.16 118.95 129.76 1t17 s ARG 105 Ca 0.17 -0.54 0.07 0.00 -1.00 0.00 0.00 55.73 54.43 1t17 s ARG 105 Cb -0.11 -2.86 -0.02 0.00 0.00 0.00 0.00 34.95 31.97 1t17 s ARG 105 CO 0.08 0.28 -0.25 0.08 0.00 0.00 0.00 175.30 175.49 1t17 s VAL 106 N 0.24 1.99 -0.06 7.11 1.01 -0.53 -0.22 120.40 129.94 1t17 s VAL 106 Ca -0.03 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1t17 s VAL 106 Cb -0.14 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1t17 s VAL 106 CO 0.03 0.56 -0.11 -1.61 0.00 0.00 0.00 175.10 173.97 1t17 s GLU 107 N -0.45 1.49 -0.12 2.72 2.02 0.84 -1.46 118.70 123.74 1t17 s GLU 107 Ca 0.05 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1t17 s GLU 107 Cb -0.11 -1.27 0.02 0.00 0.10 0.00 0.00 34.13 32.87 1t17 s GLU 107 CO 0.00 0.03 -0.14 0.12 0.02 0.00 0.00 175.26 175.29 1t17 s PHE 108 N 0.62 1.98 -0.14 1.61 5.36 0.11 0.11 117.98 127.63 1t17 s PHE 108 Ca -0.12 -1.00 -0.04 0.00 -0.96 0.00 0.00 56.93 54.81 1t17 s PHE 108 Cb -0.15 -1.45 -0.03 0.00 -0.34 0.00 0.00 43.02 41.05 1t17 s PHE 108 CO 0.03 -0.54 -0.01 0.14 -1.46 0.00 0.00 175.22 173.38 1t17 s VAL 109 N 1.21 4.21 -0.10 3.12 -7.23 -0.56 -1.13 120.40 119.90 1t17 s VAL 109 Ca -0.02 -0.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.91 1t17 s VAL 109 Cb -0.14 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 33.98 1t17 s VAL 109 CO -0.05 0.52 -0.17 0.27 -0.31 0.00 0.00 175.10 175.36 1t17 s ILE 110 N -0.03 1.61 -0.01 -0.62 -5.25 -0.43 -2.79 121.20 113.68 1t17 s ILE 110 Ca 0.03 -0.73 0.01 0.00 -0.99 0.00 0.00 60.65 58.97 1t17 s ILE 110 Cb -0.13 -1.45 -0.00 0.00 2.95 0.00 0.00 42.46 43.83 1t17 s ILE 110 CO 0.02 0.46 -0.04 -1.61 -1.79 0.00 0.00 174.94 171.98 1t17 s GLU 111 N 0.80 0.39 -0.03 0.37 2.02 0.14 -0.81 118.70 121.59 1t17 s GLU 111 Ca -0.10 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.45 1t17 s GLU 111 Cb -0.16 -0.39 0.11 0.00 0.10 0.00 0.00 34.13 33.79 1t17 s GLU 111 CO 0.01 0.07 0.96 -0.59 0.02 0.00 0.00 175.26 175.73 1t17 s PHE 112 N 0.02 -0.29 -0.14 1.61 -0.12 -0.99 -1.30 117.98 116.78 1t17 s PHE 112 Ca 0.00 0.16 0.00 0.00 -0.05 0.00 0.00 56.93 57.04 1t17 s PHE 112 Cb -0.03 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1t17 s PHE 112 CO -0.00 -0.50 -0.14 0.00 -0.05 0.00 0.00 175.22 174.53 1t17 s ALA 113 N -2.99 2.55 0.33 1.99 0.00 -0.32 -3.11 121.76 120.21 1t17 s ALA 113 Ca 0.06 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1t17 s ALA 113 Cb -0.01 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1t17 s ALA 113 CO -0.07 0.15 0.27 -0.06 0.00 0.00 0.00 175.76 176.04 1t17 s PHE 114 N 0.52 2.90 -0.19 0.00 0.08 -1.26 -4.92 117.98 115.10 1t17 s PHE 114 Ca -0.09 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 56.50 1t17 s PHE 114 Cb -0.16 -1.74 -0.12 0.00 -0.57 0.00 0.00 43.02 40.43 1t17 s PHE 114 CO 0.04 0.24 -0.03 1.63 -0.10 0.00 0.00 175.22 176.99 1t17 n LYS 115 N -1.33 0.53 -2.66 0.44 4.01 -1.26 -4.88 118.16 113.01 1t17 n LYS 115 Ca -0.03 0.49 -0.42 0.00 -0.51 0.00 0.00 58.31 57.84 1t17 n LYS 115 Cb 0.60 -1.67 -0.03 0.00 -0.51 0.00 0.00 35.03 33.42 1t17 n LYS 115 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1t17 s SER 116 N -6.51 7.30 0.18 4.39 0.01 -1.26 -4.93 113.70 112.87 1t17 s SER 116 Ca -0.26 1.70 -0.06 0.00 1.31 0.00 0.00 55.95 58.64 1t17 s SER 116 Cb 0.06 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.79 1t17 s SER 116 CO 0.45 -0.32 1.51 0.00 0.41 0.00 0.00 173.24 175.28 1t17 h ALA 117 N 6.86 0.67 0.02 1.44 0.00 -1.98 0.27 119.26 126.54 1t17 h ALA 117 Ca -0.40 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 1t17 h ALA 117 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1t17 h ALA 117 CO 0.78 0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 180.62 1t17 h LEU 118 N 0.58 -0.02 -1.60 0.00 -0.00 -2.00 -2.63 115.31 109.63 1t17 h LEU 118 Ca 0.03 -0.32 -0.04 0.00 -0.00 0.00 0.00 57.88 57.55 1t17 h LEU 118 Cb 1.02 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1t17 h LEU 118 CO 0.10 0.31 -0.20 -0.07 -0.00 0.00 0.00 178.44 178.58 1t17 h LEU 119 N -0.35 0.00 -0.22 1.67 3.38 -1.96 0.37 115.31 118.19 1t17 h LEU 119 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1t17 h LEU 119 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1t17 h LEU 119 CO 0.00 0.20 0.02 -0.78 0.09 0.00 0.00 178.44 177.97 1t17 h ASP 120 N 0.00 -0.05 0.28 -0.43 -0.00 -0.09 1.35 116.42 117.49 1t17 h ASP 120 Ca -0.00 0.04 -0.29 0.00 -0.00 0.00 0.00 57.03 56.78 1t17 h ASP 120 Cb 0.49 0.07 0.02 0.00 -0.00 0.00 0.00 39.33 39.91 1t17 h ASP 120 CO 0.03 0.01 -1.24 0.00 -0.00 0.00 0.00 179.24 178.03 1t17 h ALA 121 N 1.18 0.04 -0.07 -0.78 0.00 -1.23 0.04 119.26 118.44 1t17 h ALA 121 Ca 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1t17 h ALA 121 Cb 0.12 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1t17 h ALA 121 CO -0.16 0.77 0.04 1.98 0.00 0.00 0.00 179.25 181.87 1t17 h MET 122 N 0.21 0.08 -0.06 0.00 4.05 -0.54 0.95 114.93 119.62 1t17 h MET 122 Ca -0.17 -0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.18 1t17 h MET 122 Cb 1.92 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.70 1t17 h MET 122 CO 0.23 0.05 -0.20 -0.07 0.23 0.00 0.00 176.91 177.15 1t17 h LEU 123 N 0.08 0.28 -0.58 3.39 3.38 0.17 -2.26 115.31 119.76 1t17 h LEU 123 Ca 0.03 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1t17 h LEU 123 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1t17 h LEU 123 CO -0.02 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.37 1t17 n ALA 124 N -2.47 1.34 -0.07 1.53 0.00 -0.00 0.05 120.51 120.89 1t17 n ALA 124 Ca -0.08 0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 1t17 n ALA 124 Cb 0.43 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 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 2.18 0.05 0.00 0.00 0.00 0.12 -3.33 119.26 118.29 1t17 h ALA 125 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1t17 h ALA 125 Cb 0.15 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1t17 h ALA 125 CO 0.00 0.18 -0.06 -2.95 0.00 0.00 0.00 179.25 176.43 1t17 h ASN 126 N -1.00 0.00 -0.86 0.00 7.08 -0.96 -3.04 115.58 116.80 1t17 h ASN 126 Ca -0.06 0.00 0.23 0.00 -3.08 0.00 0.00 56.30 53.38 1t17 h ASN 126 Cb 0.73 0.00 -0.14 0.00 -2.08 0.00 0.00 38.32 36.83 1t17 h ASN 126 CO -0.04 0.06 0.21 1.62 -2.08 0.00 0.00 177.43 177.20 1t17 h VAL 127 N 0.00 0.32 -0.75 6.14 3.04 -0.49 1.14 116.25 125.65 1t17 h VAL 127 Ca -0.00 -0.07 -0.03 0.00 -1.01 0.00 0.00 66.70 65.59 1t17 h VAL 127 Cb 0.58 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 29.93 1t17 h VAL 127 CO 0.01 0.04 0.34 -0.78 -1.01 0.00 0.00 177.57 176.16 1t17 h ASP 128 N 0.20 1.01 -0.32 3.17 -0.00 -1.70 -0.53 116.42 118.26 1t17 h ASP 128 Ca 0.53 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.03 57.41 1t17 h ASP 128 Cb 1.06 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 40.12 1t17 h ASP 128 CO -0.66 0.88 0.19 0.03 -0.00 0.00 0.00 179.24 179.68 1t17 h ARG 129 N 1.07 0.43 -0.09 0.28 2.47 0.98 0.42 114.38 119.95 1t17 h ARG 129 Ca 0.26 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.95 1t17 h ARG 129 Cb 0.16 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1t17 h ARG 129 CO -0.03 0.34 0.02 0.00 0.56 0.00 0.00 179.97 180.86 1t17 h ALA 130 N 1.07 0.08 -0.45 0.04 0.00 -0.06 -0.08 119.26 119.86 1t17 h ALA 130 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1t17 h ALA 130 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1t17 h ALA 130 CO -0.02 -0.45 0.23 0.00 0.00 0.00 0.00 179.25 179.01 1t17 h ALA 131 N 1.06 1.55 -0.52 0.00 0.00 -0.82 -0.72 119.26 119.82 1t17 h ALA 131 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1t17 h ALA 131 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1t17 h ALA 131 CO -0.05 0.37 0.25 0.78 0.00 0.00 0.00 179.25 180.59 1t17 h GLY 132 N 0.72 0.80 1.41 0.00 0.00 0.93 -0.40 103.07 106.53 1t17 h GLY 132 Ca 0.16 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 1t17 h GLY 132 CO -0.02 0.38 -0.21 0.07 0.00 0.00 0.00 176.54 176.76 1t17 h LYS 133 N 0.69 0.68 -0.46 4.80 5.09 -0.35 0.12 116.57 127.14 1t17 h LYS 133 Ca 0.18 -0.26 -0.04 0.00 0.09 0.00 0.00 60.65 60.62 1t17 h LYS 133 Cb 0.12 -0.04 -0.02 0.00 0.10 0.00 0.00 32.23 32.39 1t17 h LYS 133 CO -0.02 0.84 0.11 1.25 -2.09 0.00 0.00 179.45 179.53 1t17 h LEU 134 N 0.60 0.63 -0.03 7.07 5.85 -0.66 0.58 115.31 129.35 1t17 h LEU 134 Ca 0.09 -0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1t17 h LEU 134 Cb 0.68 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1t17 h LEU 134 CO 0.05 0.63 -0.64 0.40 -0.34 0.00 0.00 178.44 178.54 1t17 h ILE 135 N 0.66 1.39 -0.34 4.05 2.04 -0.57 0.29 117.51 125.03 1t17 h ILE 135 Ca 0.15 -2.03 -0.05 0.00 1.00 0.00 0.00 64.86 63.93 1t17 h ILE 135 Cb 0.26 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1t17 h ILE 135 CO -0.00 0.60 -0.00 0.00 0.00 0.00 0.00 178.15 178.75 1t17 h ALA 136 N 0.38 1.37 -0.00 1.87 0.00 -0.37 0.46 119.26 122.96 1t17 h ALA 136 Ca -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1t17 h ALA 136 Cb 1.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1t17 h ALA 136 CO 0.13 0.44 -0.02 0.00 0.00 0.00 0.00 179.25 179.79 1t17 h PHE 138 N -0.75 0.45 0.06 0.00 3.57 -0.16 0.39 116.94 120.49 1t17 h PHE 138 Ca -0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1t17 h PHE 138 Cb 0.80 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1t17 h PHE 138 CO 0.20 0.25 -0.03 1.49 -2.23 0.00 0.00 178.31 178.00 1t17 h GLU 139 N 0.46 -0.07 0.06 1.11 4.81 -0.10 0.13 114.58 120.98 1t17 h GLU 139 Ca 0.20 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1t17 h GLU 139 Cb 0.21 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1t17 h GLU 139 CO -0.05 0.50 -0.10 0.00 -0.73 0.00 0.00 179.01 178.63 1t17 h ALA 140 N 0.12 -0.16 -0.40 2.92 0.00 -0.80 0.33 119.26 121.27 1t17 h ALA 140 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1t17 h ALA 140 Cb 0.61 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1t17 h ALA 140 CO 0.01 -0.61 0.11 0.00 0.00 0.00 0.00 179.25 178.76 1t17 h ARG 141 N -0.21 0.58 -0.52 0.00 3.08 -0.33 0.49 114.38 117.47 1t17 h ARG 141 Ca 0.02 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1t17 h ARG 141 Cb 0.22 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1t17 h ARG 141 CO -0.06 0.52 0.07 0.00 -1.07 0.00 0.00 179.97 179.43 1t17 h ALA 142 N 1.55 0.70 -0.03 0.04 0.00 0.14 0.15 119.26 121.81 1t17 h ALA 142 Ca 0.13 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1t17 h ALA 142 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1t17 h ALA 142 CO -0.01 0.45 -0.76 0.37 0.00 0.00 0.00 179.25 179.31 1t17 h GLN 143 N 0.76 0.20 -0.28 0.00 4.15 0.33 0.24 115.11 120.51 1t17 h GLN 143 Ca 0.16 -0.18 -0.13 0.00 0.77 0.00 0.00 58.65 59.26 1t17 h GLN 143 Cb 0.43 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1t17 h GLN 143 CO 0.01 0.87 -0.36 0.37 -1.93 0.00 0.00 178.83 177.79 1t17 h GLN 144 N 0.13 0.64 0.00 1.69 4.15 0.26 1.44 115.11 123.42 1t17 h GLN 144 Ca -0.03 -0.31 -0.00 0.00 0.77 0.00 0.00 58.65 59.09 1t17 h GLN 144 Cb 1.34 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1t17 h GLN 144 CO 0.12 0.90 -0.00 1.25 -1.93 0.00 0.00 178.83 179.17 1t17 h LEU 145 N 0.53 -0.00 -0.75 -2.39 6.46 -0.65 -0.42 115.31 118.09 1t17 h LEU 145 Ca 0.05 -0.85 0.00 0.00 -0.12 0.00 0.00 57.88 56.97 1t17 h LEU 145 Cb 0.87 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1t17 h LEU 145 CO 0.07 0.85 0.00 0.45 -0.62 0.00 0.00 178.44 179.19 1t17 h HIS 146 N -0.85 0.00 -1.00 1.25 3.86 -0.95 -3.07 115.15 114.38 1t17 h HIS 146 Ca -0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 1t17 h HIS 146 Cb 0.85 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 28.90 1t17 h HIS 146 CO 0.23 0.00 -0.88 0.41 0.86 0.00 0.00 177.93 178.55 1t17 n GLY 147 N 0.33 5.03 0.00 2.45 0.00 0.49 -5.03 105.19 108.47 1t17 n GLY 147 Ca 0.02 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1t17 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32