#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t17 s HIS 2 N 0.00 2.62 -0.21 2.03 4.02 -1.25 -4.93 115.29 117.57 1t17 s HIS 2 Ca 0.00 0.82 -0.03 0.00 1.02 0.00 0.00 55.06 56.87 1t17 s HIS 2 Cb 0.00 -3.69 -0.01 0.00 -1.02 0.00 0.00 32.58 27.86 1t17 s HIS 2 CO 0.00 -2.11 -0.05 0.50 1.02 0.00 0.00 174.74 174.09 1t17 s ARG 3 N 3.82 3.39 -0.15 1.40 3.52 -1.26 -3.69 118.95 125.99 1t17 s ARG 3 Ca 0.59 -0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 55.52 1t17 s ARG 3 Cb -0.23 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.17 1t17 s ARG 3 CO 0.20 -0.13 0.01 -1.01 -0.81 0.00 0.00 175.30 173.56 1t17 s HIS 4 N 1.29 3.16 -0.04 5.12 3.76 0.06 -4.93 115.29 123.70 1t17 s HIS 4 Ca 0.03 -0.02 -0.03 0.00 -0.15 0.00 0.00 55.06 54.89 1t17 s HIS 4 Cb -0.14 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 1t17 s HIS 4 CO -0.02 0.17 0.14 0.08 -0.85 0.00 0.00 174.74 174.26 1t17 s VAL 5 N 0.06 5.24 -0.15 -0.90 1.01 -1.26 -1.13 120.40 123.27 1t17 s VAL 5 Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1t17 s VAL 5 Cb -0.13 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 32.93 1t17 s VAL 5 CO 0.02 0.42 0.11 -0.69 0.00 0.00 0.00 175.10 174.95 1t17 s VAL 6 N -1.20 -0.14 -0.13 2.92 1.01 -0.29 -5.00 120.40 117.58 1t17 s VAL 6 Ca 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1t17 s VAL 6 Cb -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1t17 s VAL 6 CO 0.13 -0.18 -0.15 -0.89 0.00 0.00 0.00 175.10 174.01 1t17 s THR 7 N 2.18 2.80 0.14 3.92 2.01 -1.26 -0.19 115.64 125.24 1t17 s THR 7 Ca 0.03 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1t17 s THR 7 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1t17 s THR 7 CO -0.08 0.53 -0.03 -1.59 -0.69 0.00 0.00 174.62 172.75 1t17 s LYS 8 N 0.45 0.99 -0.04 4.92 0.00 -0.50 -5.00 119.74 120.56 1t17 s LYS 8 Ca -0.11 -1.44 0.01 0.00 0.00 0.00 0.00 55.97 54.42 1t17 s LYS 8 Cb -0.16 -0.26 0.02 0.00 0.00 0.00 0.00 37.83 37.43 1t17 s LYS 8 CO 0.05 -0.07 -0.04 0.54 0.00 0.00 0.00 175.35 175.83 1t17 s VAL 9 N -3.62 0.46 -0.07 1.79 0.11 -1.26 -0.94 120.40 116.87 1t17 s VAL 9 Ca 0.18 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.13 1t17 s VAL 9 Cb 0.05 -0.50 0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1t17 s VAL 9 CO 0.00 0.20 0.01 -0.76 -3.33 0.00 0.00 175.10 171.22 1t17 s LEU 10 N 0.88 0.54 -1.17 2.54 1.43 -0.38 -4.95 118.68 117.58 1t17 s LEU 10 Ca -0.11 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 1t17 s LEU 10 Cb -0.14 -0.40 -0.07 0.00 0.03 0.00 0.00 46.19 45.62 1t17 s LEU 10 CO -0.00 -0.20 2.30 -0.81 0.23 0.00 0.00 176.35 177.87 1t17 n PRO 11 N 5.14 2.50 -4.22 1.29 -0.04 -1.26 -1.62 135.00 136.79 1t17 n PRO 11 Ca -0.07 -1.97 -0.13 0.00 -0.04 0.00 0.00 63.50 61.29 1t17 n PRO 11 Cb 0.50 -2.82 -0.10 0.00 -0.04 0.00 0.00 33.50 31.04 1t17 n PRO 11 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1t17 s TYR 12 N 3.44 1.26 0.76 0.54 2.02 -1.26 -4.96 117.35 119.14 1t17 s TYR 12 Ca 0.53 -1.42 -0.11 0.00 -0.37 0.00 0.00 57.07 55.70 1t17 s TYR 12 Cb 0.14 -0.59 0.05 0.00 -0.40 0.00 0.00 41.96 41.15 1t17 s TYR 12 CO -0.02 -0.67 1.08 0.95 -1.57 0.00 0.00 175.55 175.33 1t17 s THR 13 N -4.05 3.51 -2.00 -0.71 -4.23 -1.26 -4.52 115.64 102.38 1t17 s THR 13 Ca 0.39 0.49 0.23 0.00 -1.18 0.00 0.00 61.69 61.62 1t17 s THR 13 Cb 0.06 -3.11 0.66 0.00 1.34 0.00 0.00 72.50 71.46 1t17 s THR 13 CO 0.14 -0.64 1.77 -0.81 -0.54 0.00 0.00 174.62 174.54 1t17 n PRO 14 N -3.39 0.75 -0.07 3.99 -0.04 -1.26 -3.13 135.00 131.84 1t17 n PRO 14 Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1t17 n PRO 14 Cb 0.54 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.42 -0.81 3.54 -0.00 -2.01 -2.77 116.42 114.79 1t17 h ASP 15 Ca 0.00 -0.41 0.19 0.00 -0.00 0.00 0.00 57.03 56.81 1t17 h ASP 15 Cb 0.00 -0.12 -0.05 0.00 -0.00 0.00 0.00 39.33 39.16 1t17 h ASP 15 CO 0.00 0.74 0.55 1.56 -0.00 0.00 0.00 179.24 182.09 1t17 h GLN 16 N 0.10 0.27 -0.75 0.28 1.08 -1.94 0.39 115.11 114.54 1t17 h GLN 16 Ca 0.04 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1t17 h GLN 16 Cb 0.58 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1t17 h GLN 16 CO 0.03 0.18 0.28 -0.07 -0.95 0.00 0.00 178.83 178.30 1t17 h LEU 17 N 0.28 1.04 -0.97 1.46 3.38 -1.69 -2.42 115.31 116.38 1t17 h LEU 17 Ca 0.40 -0.16 0.28 0.00 0.09 0.00 0.00 57.88 58.49 1t17 h LEU 17 Cb 1.15 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 1t17 h LEU 17 CO -0.11 0.93 0.51 0.15 0.09 0.00 0.00 178.44 180.01 1t17 h PHE 18 N 1.09 0.84 0.00 1.13 3.57 -0.16 1.50 116.94 124.91 1t17 h PHE 18 Ca 0.25 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.67 1t17 h PHE 18 Cb 0.23 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1t17 h PHE 18 CO 0.02 -0.11 -0.55 0.93 -2.23 0.00 0.00 178.31 176.37 1t17 h GLU 19 N 0.38 0.00 -0.07 1.11 5.08 -1.47 -3.10 114.58 116.50 1t17 h GLU 19 Ca 0.67 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.83 1t17 h GLU 19 Cb 1.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.68 1t17 h GLU 19 CO -0.57 0.55 -0.74 -0.07 -1.00 0.00 0.00 179.01 177.17 1t17 h LEU 20 N 0.00 0.78 -1.97 1.33 3.38 0.19 -1.23 115.31 117.79 1t17 h LEU 20 Ca -0.01 -0.69 0.07 0.00 0.09 0.00 0.00 57.88 57.35 1t17 h LEU 20 Cb 1.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1t17 h LEU 20 CO 0.07 1.35 0.19 0.58 0.09 0.00 0.00 178.44 180.72 1t17 h VAL 21 N 0.27 0.88 -0.36 1.22 2.07 0.54 0.79 116.25 121.66 1t17 h VAL 21 Ca -0.07 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 1t17 h VAL 21 Cb 1.40 0.85 -0.09 0.00 -1.52 0.00 0.00 31.29 31.93 1t17 h VAL 21 CO 0.15 0.01 -0.01 0.61 0.02 0.00 0.00 177.57 178.35 1t17 n GLY 22 N -1.58 4.62 0.00 2.17 0.00 -1.14 -4.56 105.19 104.69 1t17 n GLY 22 Ca 0.03 -1.16 0.07 0.00 0.00 0.00 0.00 46.02 44.96 1t17 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t17 n ASP 23 N -0.95 0.00 0.18 1.61 -0.08 0.27 0.25 116.55 117.83 1t17 n ASP 23 Ca 0.31 0.24 0.09 0.00 -1.51 0.00 0.00 54.79 53.91 1t17 n ASP 23 Cb 1.03 -0.37 0.10 0.00 2.34 0.00 0.00 41.12 44.22 1t17 n ASP 23 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1t17 h VAL 24 N 0.00 0.28 0.00 5.18 -1.51 -1.80 -3.35 116.25 115.05 1t17 h VAL 24 Ca 0.00 -1.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.07 1t17 h VAL 24 Cb 0.18 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1t17 h VAL 24 CO 0.00 0.16 -0.90 -0.67 -1.23 0.00 0.00 177.57 174.92 1t17 n ASP 25 N -3.08 3.45 0.00 4.19 -0.08 -0.45 -4.20 116.55 116.37 1t17 n ASP 25 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1t17 n ASP 25 Cb 0.61 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.07 1t17 n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1t17 n ALA 26 N -2.43 0.00 -0.89 -1.67 0.00 0.70 -5.02 120.51 111.21 1t17 n ALA 26 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1t17 n ALA 26 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.55 0.00 0.00 0.18 -1.25 -4.86 117.16 109.68 1t17 n TYR 27 Ca 0.00 0.84 0.00 0.00 1.88 0.00 0.00 57.90 60.62 1t17 n TYR 27 Cb 0.00 -1.41 0.00 0.00 -0.38 0.00 0.00 39.34 37.55 1t17 n TYR 27 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 1t17 n PRO 28 N -3.28 0.00 0.00 -3.48 -0.04 -1.26 -5.01 135.00 121.93 1t17 n PRO 28 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1t17 n PRO 28 Cb 0.41 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 1t17 n PRO 28 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1t17 n LYS 29 N 0.00 0.00 0.00 0.54 0.00 -1.26 -5.06 118.16 112.38 1t17 n LYS 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1t17 n LYS 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1t17 n LYS 29 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1t17 n PHE 30 N 0.00 0.00 -2.62 5.58 7.35 -1.26 -5.08 117.46 121.43 1t17 n PHE 30 Ca 0.00 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.51 1t17 n PHE 30 Cb 0.00 0.26 0.02 0.00 0.35 0.00 0.00 39.48 40.11 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 -2.06 -2.22 0.03 -2.13 0.24 -1.26 -4.85 118.33 106.08 1t17 n VAL 31 Ca 0.00 0.16 -0.18 0.00 -2.04 0.00 0.00 64.34 62.27 1t17 n VAL 31 Cb 0.00 -2.32 -0.08 0.00 -1.47 0.00 0.00 33.84 29.97 1t17 n VAL 31 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1t17 h PRO 32 N 1.94 0.69 0.00 7.34 0.13 -1.98 -2.90 132.00 137.22 1t17 h PRO 32 Ca -0.26 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1t17 h PRO 32 Cb 0.89 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1t17 h PRO 32 CO 0.10 1.27 0.17 0.11 -0.23 0.00 0.00 178.00 179.42 1t17 h TRP 33 N 0.42 0.00 -3.69 1.56 0.09 -1.88 -3.42 115.95 109.02 1t17 h TRP 33 Ca -0.10 0.00 -0.18 0.00 0.09 0.00 0.00 58.89 58.70 1t17 h TRP 33 Cb 1.58 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 30.78 1t17 h TRP 33 CO 0.09 0.00 -0.15 1.51 0.09 0.00 0.00 178.44 179.99 1t17 n ILE 34 N -2.98 0.00 0.00 0.12 3.06 -1.09 -4.75 119.36 113.72 1t17 n ILE 34 Ca -0.02 -0.74 0.00 0.00 -2.50 0.00 0.00 62.75 59.49 1t17 n ILE 34 Cb 0.23 0.24 0.00 0.00 0.54 0.00 0.00 39.64 40.65 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 -0.30 0.00 -3.60 9.51 5.66 -1.25 -4.50 114.28 119.80 1t17 n THR 35 Ca -0.03 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.70 1t17 n THR 35 Cb 0.19 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.94 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 -0.93 1.77 -0.04 1.09 0.00 -1.26 -4.93 107.32 103.02 1t17 s GLY 36 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 1t17 s GLY 36 CO 0.00 -0.72 0.73 -3.16 0.00 0.00 0.00 173.10 169.95 1t17 s MET 37 N -3.45 1.00 -0.28 2.90 0.00 -1.25 -0.78 119.30 117.44 1t17 s MET 37 Ca 0.40 0.11 -0.18 0.00 0.00 0.00 0.00 55.69 56.02 1t17 s MET 37 Cb -0.11 0.47 0.09 0.00 0.00 0.00 0.00 34.83 35.29 1t17 s MET 37 CO 0.30 -0.34 0.77 0.50 0.00 0.00 0.00 175.02 176.25 1t17 s ARG 38 N -1.63 0.64 -0.10 3.16 3.00 -0.80 -4.97 118.95 118.26 1t17 s ARG 38 Ca -0.07 1.04 -0.00 0.00 -1.00 0.00 0.00 55.73 55.70 1t17 s ARG 38 Cb -0.00 0.17 0.02 0.00 0.00 0.00 0.00 34.95 35.14 1t17 s ARG 38 CO 0.04 -0.12 -0.06 0.95 0.00 0.00 0.00 175.30 176.11 1t17 s THR 39 N 1.34 0.89 0.00 4.11 -4.23 -1.26 -1.08 115.64 115.41 1t17 s THR 39 Ca -0.08 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1t17 s THR 39 Cb -0.05 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.87 1t17 s THR 39 CO -0.15 0.34 0.00 -2.67 -0.54 0.00 0.00 174.62 171.60 1t17 n TRP 40 N 4.88 0.00 -2.41 3.99 2.14 -0.96 -4.99 117.44 120.09 1t17 n TRP 40 Ca -0.12 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.40 1t17 n TRP 40 Cb 0.50 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.97 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 -1.27 0.00 -0.67 3.02 -1.26 -1.53 115.26 113.55 1t17 n ASN 41 Ca 0.00 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 1t17 n ASN 41 Cb 0.00 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 34.64 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 1.31 -0.93 3.10 7.41 0.00 -1.26 -1.55 105.19 113.28 1t17 n GLY 42 Ca -0.32 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.34 0.53 -0.13 1.61 1.70 0.13 -4.97 118.95 117.47 1t17 s ARG 43 Ca 0.00 -0.60 0.03 0.00 -0.47 0.00 0.00 55.73 54.69 1t17 s ARG 43 Cb 0.00 0.21 0.01 0.00 -0.57 0.00 0.00 34.95 34.60 1t17 s ARG 43 CO 0.00 -0.13 -0.22 0.54 -1.08 0.00 0.00 175.30 174.41 1t17 s VAL 44 N -2.03 2.09 -0.04 4.99 0.11 -1.26 -1.00 120.40 123.27 1t17 s VAL 44 Ca -0.10 -0.98 0.02 0.00 -2.93 0.00 0.00 61.98 57.99 1t17 s VAL 44 Cb -0.04 -1.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.00 1t17 s VAL 44 CO -0.02 0.55 -0.07 -0.62 -3.33 0.00 0.00 175.10 171.61 1t17 s ASP 45 N 0.67 1.13 0.41 3.54 2.15 -0.26 -5.02 116.67 119.29 1t17 s ASP 45 Ca -0.11 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 52.70 1t17 s ASP 45 Cb -0.16 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 41.97 1t17 s ASP 45 CO 0.01 -0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 1t17 n GLY 46 N 3.80 2.73 2.13 2.66 0.00 -1.26 0.47 105.19 115.73 1t17 n GLY 46 Ca -0.23 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 7.96 5.67 -2.87 4.61 0.00 -1.26 -4.88 120.51 129.73 1t17 n ALA 47 Ca 0.00 -2.72 -0.13 0.00 0.00 0.00 0.00 53.44 50.59 1t17 n ALA 47 Cb 0.00 -1.56 -0.12 0.00 0.00 0.00 0.00 19.45 17.77 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 -3.59 0.47 -0.03 0.00 1.01 0.18 -0.05 120.40 118.39 1t17 s VAL 48 Ca 0.51 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1t17 s VAL 48 Cb 0.41 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 36.28 1t17 s VAL 48 CO 0.02 -0.35 -0.01 -0.44 0.00 0.00 0.00 175.10 174.32 1t17 s SER 49 N -1.43 0.41 -0.10 3.32 0.01 0.53 -1.10 113.70 115.34 1t17 s SER 49 Ca -0.10 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.14 1t17 s SER 49 Cb -0.09 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1t17 s SER 49 CO 0.00 -0.08 -0.12 -0.89 0.41 0.00 0.00 173.24 172.57 1t17 s THR 50 N 0.85 1.25 0.28 1.44 2.01 -0.17 -0.89 115.64 120.40 1t17 s THR 50 Ca -0.09 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 1t17 s THR 50 Cb -0.12 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1t17 s THR 50 CO -0.01 0.39 0.52 0.68 -0.69 0.00 0.00 174.62 175.51 1t17 s VAL 51 N 1.17 0.00 0.40 3.82 -7.23 -0.53 0.20 120.40 118.23 1t17 s VAL 51 Ca -0.04 -1.38 -0.23 0.00 -1.81 0.00 0.00 61.98 58.51 1t17 s VAL 51 Cb -0.14 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 1t17 s VAL 51 CO -0.03 0.00 1.02 -1.81 -0.31 0.00 0.00 175.10 173.97 1t17 s ASP 52 N -3.06 6.79 -0.23 4.85 -0.00 -0.58 0.68 116.67 125.12 1t17 s ASP 52 Ca 0.23 1.96 -0.01 0.00 -0.00 0.00 0.00 52.55 54.72 1t17 s ASP 52 Cb -0.01 -2.58 0.07 0.00 -0.00 0.00 0.00 42.92 40.40 1t17 s ASP 52 CO 0.11 -0.46 0.03 0.00 -0.00 0.00 0.00 175.17 174.85 1t17 s ALA 53 N -1.75 1.36 -0.48 5.23 0.00 0.50 -2.28 121.76 124.34 1t17 s ALA 53 Ca 0.59 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 1t17 s ALA 53 Cb -0.19 -1.34 0.11 0.00 0.00 0.00 0.00 23.12 21.70 1t17 s ALA 53 CO 0.24 -1.29 0.39 -1.21 0.00 0.00 0.00 175.76 173.89 1t17 s GLU 54 N 1.69 2.70 0.22 0.00 2.02 -0.24 0.09 118.70 125.17 1t17 s GLU 54 Ca 0.00 -1.67 0.07 0.00 0.02 0.00 0.00 54.97 53.39 1t17 s GLU 54 Cb -0.18 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 29.98 1t17 s GLU 54 CO -0.11 -1.19 0.13 0.00 0.02 0.00 0.00 175.26 174.11 1t17 s ALA 55 N 1.47 3.48 0.46 5.21 0.00 -0.02 -1.90 121.76 130.46 1t17 s ALA 55 Ca 0.04 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.65 1t17 s ALA 55 Cb -0.27 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 1t17 s ALA 55 CO 0.01 0.36 0.09 1.04 0.00 0.00 0.00 175.76 177.26 1t17 n GLN 56 N -0.76 0.65 -4.01 0.00 6.02 0.04 -1.45 117.38 117.87 1t17 n GLN 56 Ca -0.08 -3.61 -0.22 0.00 -0.01 0.00 0.00 57.00 53.09 1t17 n GLN 56 Cb 0.57 1.53 -0.17 0.00 1.02 0.00 0.00 30.24 33.19 1t17 n GLN 56 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1t17 s VAL 57 N -3.00 0.53 0.17 5.09 -7.23 -1.10 -3.77 120.40 111.09 1t17 s VAL 57 Ca 0.12 -0.06 0.06 0.00 -1.81 0.00 0.00 61.98 60.29 1t17 s VAL 57 Cb 0.01 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 1t17 s VAL 57 CO 0.09 0.25 -0.12 -0.83 -0.31 0.00 0.00 175.10 174.18 1t17 s GLY 58 N 1.34 1.22 -1.15 2.32 0.00 -1.26 -4.26 107.32 105.53 1t17 s GLY 58 Ca -0.04 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.13 1t17 s GLY 58 CO -0.02 -1.64 0.00 0.33 0.00 0.00 0.00 173.10 171.76 1t17 n PHE 59 N -0.21 -0.11 -0.11 1.90 7.35 -1.26 -4.74 117.46 120.28 1t17 n PHE 59 Ca -0.10 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.67 1t17 n PHE 59 Cb 0.60 -2.55 0.19 0.00 0.35 0.00 0.00 39.48 38.07 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 -0.70 3.12 -0.02 -2.13 7.64 -1.26 -4.93 113.62 115.34 1t17 n SER 60 Ca -0.11 -1.94 -0.00 0.00 1.01 0.00 0.00 58.87 57.83 1t17 n SER 60 Cb 0.51 -0.27 -0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.89 0.00 -3.67 1.43 7.35 -1.26 -4.89 117.46 117.30 1t17 n PHE 61 Ca 0.15 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.54 1t17 n PHE 61 Cb 0.47 -1.80 -0.14 0.00 0.35 0.00 0.00 39.48 38.37 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 -0.05 2.11 -0.93 -2.13 2.96 -1.26 -5.07 118.68 114.31 1t17 s LEU 62 Ca 0.00 -2.05 -0.24 0.00 -0.22 0.00 0.00 54.13 51.61 1t17 s LEU 62 Cb 0.00 -0.82 0.04 0.00 0.50 0.00 0.00 46.19 45.90 1t17 s LEU 62 CO 0.00 -0.35 1.45 -0.60 -1.32 0.00 0.00 176.35 175.53 1t17 s ARG 63 N 1.11 3.40 0.01 1.98 3.00 -1.26 -4.67 118.95 122.52 1t17 s ARG 63 Ca 0.14 -0.81 -0.08 0.00 -1.00 0.00 0.00 55.73 53.99 1t17 s ARG 63 Cb -0.21 -5.02 0.00 0.00 0.00 0.00 0.00 34.95 29.72 1t17 s ARG 63 CO -0.13 -2.28 0.14 -1.21 0.00 0.00 0.00 175.30 171.83 1t17 s GLU 64 N 5.34 0.53 0.26 5.12 2.02 -1.26 -5.07 118.70 125.64 1t17 s GLU 64 Ca 0.45 -0.46 0.12 0.00 0.02 0.00 0.00 54.97 55.10 1t17 s GLU 64 Cb -0.03 0.22 -0.05 0.00 0.10 0.00 0.00 34.13 34.37 1t17 s GLU 64 CO -0.02 -0.13 -0.20 -1.59 0.02 0.00 0.00 175.26 173.34 1t17 s LYS 65 N -1.65 1.67 0.01 1.61 0.00 -1.26 -2.71 119.74 117.41 1t17 s LYS 65 Ca -0.13 -1.70 -0.20 0.00 0.00 0.00 0.00 55.97 53.95 1t17 s LYS 65 Cb -0.06 -1.81 0.04 0.00 0.00 0.00 0.00 37.83 36.00 1t17 s LYS 65 CO 0.00 0.35 0.44 -0.06 0.00 0.00 0.00 175.35 176.08 1t17 s PHE 66 N -2.31 -0.32 0.00 1.78 0.08 -0.53 -5.00 117.98 111.68 1t17 s PHE 66 Ca 0.28 0.42 0.04 0.00 0.12 0.00 0.00 56.93 57.79 1t17 s PHE 66 Cb -0.06 0.23 -0.01 0.00 -0.57 0.00 0.00 43.02 42.61 1t17 s PHE 66 CO 0.14 -0.53 -0.12 0.00 -0.10 0.00 0.00 175.22 174.61 1t17 s ALA 67 N -1.90 0.96 0.10 5.36 0.00 -1.26 -0.84 121.76 124.18 1t17 s ALA 67 Ca -0.09 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.17 1t17 s ALA 67 Cb -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1t17 s ALA 67 CO 0.02 0.21 0.31 0.95 0.00 0.00 0.00 175.76 177.26 1t17 s THR 68 N -0.44 0.10 -0.45 0.00 -4.23 0.11 -1.56 115.64 109.17 1t17 s THR 68 Ca 0.03 -0.80 -0.29 0.00 -1.18 0.00 0.00 61.69 59.45 1t17 s THR 68 Cb -0.05 -1.19 0.03 0.00 1.34 0.00 0.00 72.50 72.62 1t17 s THR 68 CO -0.00 -0.44 1.14 -0.60 -0.54 0.00 0.00 174.62 174.18 1t17 s ARG 69 N -3.63 3.77 -0.01 3.99 6.06 0.13 0.19 118.95 129.45 1t17 s ARG 69 Ca 0.02 0.66 -0.22 0.00 -2.50 0.00 0.00 55.73 53.69 1t17 s ARG 69 Cb 0.03 -3.89 -0.05 0.00 0.06 0.00 0.00 34.95 31.10 1t17 s ARG 69 CO -0.10 -1.32 0.66 0.54 -2.50 0.00 0.00 175.30 172.57 1t17 s VAL 70 N 4.39 4.91 -0.10 7.11 0.11 0.21 -1.34 120.40 135.69 1t17 s VAL 70 Ca 0.48 1.38 0.01 0.00 -2.93 0.00 0.00 61.98 60.92 1t17 s VAL 70 Cb -0.08 -4.00 0.02 0.00 -1.53 0.00 0.00 36.38 30.79 1t17 s VAL 70 CO 0.29 0.36 -0.11 -0.13 -3.33 0.00 0.00 175.10 172.19 1t17 s ARG 71 N 0.11 1.77 0.12 1.54 0.52 0.25 -1.45 118.95 121.80 1t17 s ARG 71 Ca 0.34 -0.39 0.07 0.00 -0.52 0.00 0.00 55.73 55.23 1t17 s ARG 71 Cb -0.19 -1.61 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 1t17 s ARG 71 CO 0.19 -0.12 -0.16 -0.98 0.02 0.00 0.00 175.30 174.24 1t17 s ARG 72 N 1.17 1.07 -0.07 3.54 3.03 -0.07 -1.38 118.95 126.24 1t17 s ARG 72 Ca -0.05 -1.22 -0.03 0.00 2.03 0.00 0.00 55.73 56.46 1t17 s ARG 72 Cb -0.14 -1.09 0.03 0.00 -1.03 0.00 0.00 34.95 32.72 1t17 s ARG 72 CO -0.03 0.23 0.15 0.34 -1.13 0.00 0.00 175.30 174.86 1t17 s ASP 73 N -2.29 -0.13 0.00 -2.89 -1.08 -1.18 -0.35 116.67 108.76 1t17 s ASP 73 Ca 0.08 0.31 0.22 0.00 -0.52 0.00 0.00 52.55 52.65 1t17 s ASP 73 Cb -0.07 0.22 0.02 0.00 -1.46 0.00 0.00 42.92 41.63 1t17 s ASP 73 CO 0.04 -0.13 1.08 2.29 0.52 0.00 0.00 175.17 178.96 1t17 n LYS 74 N 3.99 0.02 -0.01 4.34 2.85 0.93 -1.25 118.16 129.03 1t17 n LYS 74 Ca -0.24 -0.01 0.04 0.00 -1.05 0.00 0.00 58.31 57.05 1t17 n LYS 74 Cb 0.53 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.28 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 -1.48 0.26 -0.05 -5.58 8.00 -1.22 -4.33 116.55 112.15 1t17 n ASP 75 Ca 0.05 0.11 -0.03 0.00 0.71 0.00 0.00 54.79 55.63 1t17 n ASP 75 Cb 0.33 1.24 -0.11 0.00 -0.02 0.00 0.00 41.12 42.56 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t17 n ALA 76 N -2.39 1.90 -3.41 2.24 0.00 -1.25 -5.01 120.51 112.58 1t17 n ALA 76 Ca -0.11 -0.79 -0.19 0.00 0.00 0.00 0.00 53.44 52.35 1t17 n ALA 76 Cb 0.75 -0.18 0.07 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.40 -6.74 -4.30 0.00 3.00 -0.38 -5.01 116.66 100.83 1t17 n ARG 77 Ca -0.18 0.74 -0.16 0.00 -0.01 0.00 0.00 57.85 58.24 1t17 n ARG 77 Cb 0.81 -5.50 -0.10 0.00 0.00 0.00 0.00 32.46 27.67 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1t17 s SER 78 N -3.55 2.02 -0.01 0.55 0.01 -1.22 -4.36 113.70 107.13 1t17 s SER 78 Ca 0.37 -1.07 0.07 0.00 1.31 0.00 0.00 55.95 56.63 1t17 s SER 78 Cb -0.16 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 1t17 s SER 78 CO 0.65 -0.34 -0.21 -0.63 0.41 0.00 0.00 173.24 173.12 1t17 s ILE 79 N -3.26 1.66 -0.15 1.44 -1.09 0.15 -3.10 121.20 116.85 1t17 s ILE 79 Ca 0.21 -0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 57.58 1t17 s ILE 79 Cb 0.03 -1.38 0.04 0.00 -1.58 0.00 0.00 42.46 39.56 1t17 s ILE 79 CO 0.04 0.44 0.38 -0.62 -1.23 0.00 0.00 174.94 173.94 1t17 s ASP 80 N -0.58 -0.41 -0.02 3.58 2.15 -0.48 -1.44 116.67 119.48 1t17 s ASP 80 Ca 0.08 0.78 0.00 0.00 0.43 0.00 0.00 52.55 53.84 1t17 s ASP 80 Cb -0.08 0.75 0.03 0.00 -0.30 0.00 0.00 42.92 43.31 1t17 s ASP 80 CO -0.00 -0.15 0.02 -0.69 -0.17 0.00 0.00 175.17 174.18 1t17 s VAL 81 N 0.53 -0.03 0.27 1.11 1.01 0.37 0.84 120.40 124.49 1t17 s VAL 81 Ca -0.03 0.17 0.12 0.00 0.00 0.00 0.00 61.98 62.24 1t17 s VAL 81 Cb -0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 1t17 s VAL 81 CO -0.03 0.08 -0.18 -0.44 0.00 0.00 0.00 175.10 174.53 1t17 s SER 82 N 0.91 3.67 0.27 3.32 0.01 -0.45 -1.23 113.70 120.21 1t17 s SER 82 Ca -0.08 -0.96 -0.30 0.00 1.31 0.00 0.00 55.95 55.92 1t17 s SER 82 Cb -0.11 -0.35 -0.10 0.00 0.21 0.00 0.00 66.02 65.66 1t17 s SER 82 CO -0.02 0.05 1.45 -0.22 0.41 0.00 0.00 173.24 174.91 1t17 s LEU 83 N -3.41 4.38 0.09 2.44 2.96 -1.19 0.22 118.68 124.17 1t17 s LEU 83 Ca 0.29 2.73 0.00 0.00 -0.22 0.00 0.00 54.13 56.93 1t17 s LEU 83 Cb -0.06 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1t17 s LEU 83 CO 0.15 -0.73 0.00 -0.11 -1.32 0.00 0.00 176.35 174.34 1t17 n LEU 84 N 2.07 0.65 0.00 -0.68 0.00 -1.19 -4.60 117.00 113.25 1t17 n LEU 84 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 56.01 56.21 1t17 n LEU 84 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 43.42 43.66 1t17 n LEU 84 CO 0.61 -0.56 0.07 -1.22 0.00 0.00 0.00 177.39 176.29 1t17 n TYR 85 N -3.33 0.00 0.00 1.96 4.02 -0.83 -4.99 117.16 113.99 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 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 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 0.19 -3.02 3.60 2.72 0.00 -0.60 -4.72 105.19 103.36 1t17 n GLY 86 Ca 0.00 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 3.54 -0.85 1.61 0.04 -1.26 -4.93 135.00 133.16 1t17 s PRO 87 Ca 0.00 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 1t17 s PRO 87 Cb 0.00 -4.04 -0.06 0.00 0.04 0.00 0.00 34.50 30.45 1t17 s PRO 87 CO 0.00 -1.61 2.00 -0.06 0.04 0.00 0.00 177.00 177.37 1t17 s PHE 88 N 5.53 1.70 0.01 0.56 0.40 -1.26 -3.57 117.98 121.34 1t17 s PHE 88 Ca 0.61 0.83 0.00 0.00 -0.60 0.00 0.00 56.93 57.77 1t17 s PHE 88 Cb -0.13 -3.97 0.00 0.00 0.51 0.00 0.00 43.02 39.43 1t17 s PHE 88 CO 0.32 -1.80 0.00 1.17 0.70 0.00 0.00 175.22 175.61 1t17 n LYS 89 N 8.89 0.00 0.00 0.44 0.00 -1.26 -5.13 118.16 121.10 1t17 n LYS 89 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.70 1t17 n LYS 89 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.50 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 -2.30 0.00 -3.31 1.64 0.63 -1.23 -5.05 116.66 107.03 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 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 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 -0.93 0.08 6.15 0.20 -1.26 -0.82 118.68 122.10 1t17 s LEU 91 Ca 0.00 0.86 0.07 0.00 0.69 0.00 0.00 54.13 55.75 1t17 s LEU 91 Cb 0.00 1.89 -0.03 0.00 -0.43 0.00 0.00 46.19 47.62 1t17 s LEU 91 CO 0.00 -0.18 -0.19 0.21 -0.29 0.00 0.00 176.35 175.90 1t17 s ASN 92 N 2.79 2.30 -0.19 3.68 3.84 0.81 -3.16 114.94 125.02 1t17 s ASN 92 Ca 0.05 -0.61 -0.05 0.00 0.21 0.00 0.00 52.86 52.46 1t17 s ASN 92 Cb -0.11 -0.14 0.07 0.00 -0.55 0.00 0.00 41.25 40.52 1t17 s ASN 92 CO -0.17 0.06 0.13 0.20 -2.79 0.00 0.00 177.10 174.53 1t17 s ASN 93 N -1.61 2.09 0.07 -4.21 -0.87 -0.36 -0.74 114.94 109.30 1t17 s ASN 93 Ca 0.05 -0.52 0.07 0.00 -1.57 0.00 0.00 52.86 50.88 1t17 s ASN 93 Cb -0.09 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.25 41.05 1t17 s ASN 93 CO 0.03 -0.35 -0.18 -0.83 -2.57 0.00 0.00 177.10 173.20 1t17 s GLY 94 N 2.20 1.03 -0.09 0.66 0.00 -1.15 0.14 107.32 110.10 1t17 s GLY 94 Ca 0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.66 1t17 s GLY 94 CO -0.11 -1.04 0.21 0.86 0.00 0.00 0.00 173.10 173.03 1t17 s TRP 95 N -1.02 -0.28 0.10 1.90 -0.11 -0.52 -1.10 118.94 117.91 1t17 s TRP 95 Ca 0.04 0.70 0.02 0.00 1.22 0.00 0.00 56.10 58.09 1t17 s TRP 95 Cb -0.09 -0.01 -0.04 0.00 -1.50 0.00 0.00 33.47 31.83 1t17 s TRP 95 CO 0.03 -0.23 -0.08 1.03 -4.62 0.00 0.00 176.95 173.08 1t17 s ARG 96 N 1.37 0.86 -0.15 5.86 1.81 -0.01 0.30 118.95 128.99 1t17 s ARG 96 Ca -0.08 -1.31 -0.11 0.00 -1.72 0.00 0.00 55.73 52.51 1t17 s ARG 96 Cb -0.11 -0.31 0.05 0.00 -0.45 0.00 0.00 34.95 34.12 1t17 s ARG 96 CO -0.08 0.01 0.38 -0.59 -0.68 0.00 0.00 175.30 174.34 1t17 s PHE 97 N -3.33 -0.47 0.06 -0.53 -0.71 -1.26 -0.20 117.98 111.53 1t17 s PHE 97 Ca 0.11 1.08 -0.07 0.00 -1.04 0.00 0.00 56.93 57.01 1t17 s PHE 97 Cb 0.03 0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 42.01 1t17 s PHE 97 CO -0.03 -0.25 0.13 -1.64 -1.34 0.00 0.00 175.22 172.09 1t17 s MET 98 N 0.71 0.70 0.49 1.99 -1.94 0.58 -4.98 119.30 116.86 1t17 s MET 98 Ca -0.04 -0.86 -0.20 0.00 -1.71 0.00 0.00 55.69 52.88 1t17 s MET 98 Cb -0.05 0.28 -0.08 0.00 2.01 0.00 0.00 34.83 36.98 1t17 s MET 98 CO -0.05 -0.19 1.04 -1.25 -0.01 0.00 0.00 175.02 174.56 1t17 s PRO 99 N -3.18 3.80 -0.34 2.03 0.04 -1.26 0.14 135.00 136.22 1t17 s PRO 99 Ca -0.00 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.43 1t17 s PRO 99 Cb 0.02 -2.09 0.19 0.00 0.04 0.00 0.00 34.50 32.66 1t17 s PRO 99 CO -0.07 -0.43 0.69 -1.21 0.04 0.00 0.00 177.00 176.02 1t17 s GLU 100 N -3.25 0.58 3.99 4.56 2.02 -0.85 -4.73 118.70 121.01 1t17 s GLU 100 Ca 0.67 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.82 1t17 s GLU 100 Cb -0.16 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.22 1t17 s GLU 100 CO 0.20 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 174.94 1t17 n GLY 101 N 4.87 0.46 0.11 -1.39 0.00 -1.26 -3.60 105.19 104.38 1t17 n GLY 101 Ca 0.08 -0.96 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 3.21 0.00 -1.74 1.61 2.03 -2.00 -3.46 116.42 116.06 1t17 h ASP 102 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 1t17 h ASP 102 Cb 0.00 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.42 1t17 h ASP 102 CO 0.00 0.62 -0.52 0.00 -1.03 0.00 0.00 179.24 178.31 1t17 s ALA 103 N -2.90 3.54 0.03 4.15 0.00 -1.24 -4.71 121.76 120.64 1t17 s ALA 103 Ca -0.00 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.00 1t17 s ALA 103 Cb 0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1t17 s ALA 103 CO 0.79 -0.06 0.12 -0.08 0.00 0.00 0.00 175.76 176.53 1t17 s THR 104 N -2.51 4.93 -0.13 0.00 -1.32 -0.64 -2.00 115.64 113.97 1t17 s THR 104 Ca 0.39 -0.47 -0.01 0.00 -1.21 0.00 0.00 61.69 60.39 1t17 s THR 104 Cb 0.00 -3.33 -0.02 0.00 -1.51 0.00 0.00 72.50 67.64 1t17 s THR 104 CO 0.23 0.23 -0.09 -0.60 -2.21 0.00 0.00 174.62 172.18 1t17 s ARG 105 N -2.13 3.36 0.00 7.08 3.52 0.12 -1.24 118.95 129.65 1t17 s ARG 105 Ca 0.28 -0.60 0.08 0.00 -0.13 0.00 0.00 55.73 55.36 1t17 s ARG 105 Cb -0.12 -2.72 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 1t17 s ARG 105 CO 0.20 0.31 -0.24 0.08 -0.81 0.00 0.00 175.30 174.85 1t17 s VAL 106 N 0.12 1.92 -0.10 7.11 1.01 -0.12 -0.30 120.40 130.03 1t17 s VAL 106 Ca -0.04 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.83 1t17 s VAL 106 Cb -0.14 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1t17 s VAL 106 CO 0.04 0.46 -0.12 -1.61 0.00 0.00 0.00 175.10 173.87 1t17 s GLU 107 N -0.77 1.86 -0.16 2.72 2.02 0.72 -1.41 118.70 123.67 1t17 s GLU 107 Ca 0.10 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1t17 s GLU 107 Cb -0.09 -1.68 0.02 0.00 0.10 0.00 0.00 34.13 32.47 1t17 s GLU 107 CO 0.00 -0.13 -0.20 0.12 0.02 0.00 0.00 175.26 175.07 1t17 s PHE 108 N 1.20 2.67 -0.10 1.61 5.36 0.73 -0.83 117.98 128.62 1t17 s PHE 108 Ca -0.04 -1.51 -0.03 0.00 -0.96 0.00 0.00 56.93 54.39 1t17 s PHE 108 Cb -0.14 -1.85 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 1t17 s PHE 108 CO -0.03 -0.73 0.04 0.14 -1.46 0.00 0.00 175.22 173.17 1t17 s VAL 109 N 1.17 4.67 -0.12 3.12 -7.23 -0.26 -1.14 120.40 120.61 1t17 s VAL 109 Ca 0.01 -0.11 0.01 0.00 -1.81 0.00 0.00 61.98 60.08 1t17 s VAL 109 Cb -0.14 -2.99 0.02 0.00 0.56 0.00 0.00 36.38 33.83 1t17 s VAL 109 CO -0.09 0.61 -0.13 0.27 -0.31 0.00 0.00 175.10 175.45 1t17 s ILE 110 N -0.92 1.37 -0.04 -0.62 -5.25 -0.29 -2.93 121.20 112.52 1t17 s ILE 110 Ca 0.14 -0.53 0.00 0.00 -0.99 0.00 0.00 60.65 59.27 1t17 s ILE 110 Cb -0.12 -1.29 0.02 0.00 2.95 0.00 0.00 42.46 44.03 1t17 s ILE 110 CO 0.03 0.42 -0.02 -1.61 -1.79 0.00 0.00 174.94 171.97 1t17 s GLU 111 N 1.32 0.57 0.15 0.37 2.02 0.09 -0.76 118.70 122.45 1t17 s GLU 111 Ca -0.00 0.01 -0.19 0.00 0.02 0.00 0.00 54.97 54.81 1t17 s GLU 111 Cb -0.14 -0.71 0.05 0.00 0.10 0.00 0.00 34.13 33.43 1t17 s GLU 111 CO -0.06 -0.14 0.50 -0.59 0.02 0.00 0.00 175.26 174.99 1t17 s PHE 112 N 1.16 -0.32 -0.23 1.61 -0.12 -1.24 -0.13 117.98 118.71 1t17 s PHE 112 Ca -0.08 0.03 -0.06 0.00 -0.05 0.00 0.00 56.93 56.78 1t17 s PHE 112 Cb -0.14 0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 42.63 1t17 s PHE 112 CO -0.02 -0.80 0.03 0.00 -0.05 0.00 0.00 175.22 174.39 1t17 s ALA 113 N -3.80 3.08 0.45 1.99 0.00 -0.00 -3.92 121.76 119.57 1t17 s ALA 113 Ca 0.03 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.99 1t17 s ALA 113 Cb 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.20 1t17 s ALA 113 CO -0.11 -0.37 0.55 -0.06 0.00 0.00 0.00 175.76 175.78 1t17 s PHE 114 N 1.39 2.49 -0.19 0.00 0.08 -1.26 -4.95 117.98 115.54 1t17 s PHE 114 Ca 0.05 -0.50 -0.20 0.00 0.12 0.00 0.00 56.93 56.40 1t17 s PHE 114 Cb -0.15 -2.28 -0.17 0.00 -0.57 0.00 0.00 43.02 39.86 1t17 s PHE 114 CO 0.02 -0.47 0.21 0.87 -0.10 0.00 0.00 175.22 175.74 1t17 h LYS 115 N 0.66 0.00 -4.94 0.44 6.56 -1.98 -3.45 116.57 113.87 1t17 h LYS 115 Ca -0.38 0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.53 1t17 h LYS 115 Cb 1.28 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 32.76 1t17 h LYS 115 CO 0.48 0.82 -0.24 -1.12 -2.06 0.00 0.00 179.45 177.33 1t17 s SER 116 N -6.57 6.20 0.55 0.86 0.01 -1.26 -4.92 113.70 108.56 1t17 s SER 116 Ca -0.25 -0.39 0.30 0.00 1.31 0.00 0.00 55.95 56.92 1t17 s SER 116 Cb 0.04 -2.21 1.47 0.00 0.21 0.00 0.00 66.02 65.53 1t17 s SER 116 CO 0.53 -0.45 1.89 0.00 0.41 0.00 0.00 173.24 175.62 1t17 h ALA 117 N 8.57 2.64 0.24 1.44 0.00 -1.99 0.31 119.26 130.46 1t17 h ALA 117 Ca -0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1t17 h ALA 117 Cb 1.13 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t17 h ALA 117 CO 0.74 -0.98 -0.11 -0.07 0.00 0.00 0.00 179.25 178.82 1t17 h LEU 118 N 0.00 -0.27 -2.35 0.00 -0.00 -2.00 -2.82 115.31 107.87 1t17 h LEU 118 Ca 0.36 -0.25 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1t17 h LEU 118 Cb 1.54 0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 42.27 1t17 h LEU 118 CO -0.00 0.15 -0.04 -0.07 -0.00 0.00 0.00 178.44 178.48 1t17 h LEU 119 N -0.75 0.00 0.17 1.67 3.38 -1.21 0.24 115.31 118.80 1t17 h LEU 119 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1t17 h LEU 119 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1t17 h LEU 119 CO 0.05 0.04 -0.11 -0.78 0.09 0.00 0.00 178.44 177.73 1t17 h ASP 120 N 0.00 -0.28 0.48 -0.43 1.82 -0.28 0.75 116.42 118.48 1t17 h ASP 120 Ca -0.00 0.02 -0.25 0.00 -0.39 0.00 0.00 57.03 56.41 1t17 h ASP 120 Cb 0.13 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.23 1t17 h ASP 120 CO 0.00 -0.18 -1.09 0.00 -1.61 0.00 0.00 179.24 176.37 1t17 h ALA 121 N 0.55 0.24 0.04 -0.78 0.00 -1.21 0.57 119.26 118.67 1t17 h ALA 121 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1t17 h ALA 121 Cb 0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1t17 h ALA 121 CO 0.01 0.89 -0.04 1.98 0.00 0.00 0.00 179.25 182.08 1t17 h MET 122 N 0.15 -0.09 -0.03 0.00 4.05 -0.32 0.60 114.93 119.29 1t17 h MET 122 Ca -0.11 0.01 -0.24 0.00 -0.28 0.00 0.00 59.70 59.08 1t17 h MET 122 Cb 1.77 0.02 0.02 0.00 -0.80 0.00 0.00 31.60 32.60 1t17 h MET 122 CO 0.18 -0.06 -0.91 -0.07 0.23 0.00 0.00 176.91 176.28 1t17 h LEU 123 N -0.09 0.85 -1.54 3.39 3.38 0.45 -2.88 115.31 118.87 1t17 h LEU 123 Ca 0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1t17 h LEU 123 Cb 0.09 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1t17 h LEU 123 CO -0.01 1.46 0.00 0.00 0.09 0.00 0.00 178.44 179.98 1t17 h ALA 124 N 0.42 1.00 0.08 1.53 0.00 -0.73 0.15 119.26 121.70 1t17 h ALA 124 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1t17 h ALA 124 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1t17 h ALA 124 CO 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.39 1t17 h ALA 125 N 2.08 -0.10 0.00 0.00 0.00 0.43 -3.26 119.26 118.40 1t17 h ALA 125 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1t17 h ALA 125 Cb 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1t17 h ALA 125 CO 0.00 -0.15 -0.21 -2.95 0.00 0.00 0.00 179.25 175.95 1t17 h ASN 126 N -0.92 0.00 -0.99 0.00 7.08 -1.34 -2.90 115.58 116.51 1t17 h ASN 126 Ca -0.01 0.00 0.35 0.00 -3.08 0.00 0.00 56.30 53.56 1t17 h ASN 126 Cb 0.56 0.00 -0.17 0.00 -2.08 0.00 0.00 38.32 36.63 1t17 h ASN 126 CO 0.02 0.21 0.47 1.62 -2.08 0.00 0.00 177.43 177.67 1t17 h VAL 127 N 0.00 0.14 -0.27 6.14 3.04 -0.76 1.60 116.25 126.13 1t17 h VAL 127 Ca -0.00 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.63 1t17 h VAL 127 Cb 0.57 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 1t17 h VAL 127 CO 0.03 0.02 0.14 -0.78 -1.01 0.00 0.00 177.57 175.97 1t17 h ASP 128 N 0.14 0.35 0.41 3.17 1.82 -1.66 0.25 116.42 120.89 1t17 h ASP 128 Ca 0.76 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 57.26 1t17 h ASP 128 Cb 1.84 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.77 1t17 h ASP 128 CO -0.72 0.37 -0.19 0.03 -1.61 0.00 0.00 179.24 177.12 1t17 h ARG 129 N 0.31 -0.52 -0.72 0.28 2.47 0.19 0.32 114.38 116.71 1t17 h ARG 129 Ca 0.09 0.04 0.11 0.00 -1.26 0.00 0.00 59.98 58.96 1t17 h ARG 129 Cb 0.10 0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.50 1t17 h ARG 129 CO -0.01 -0.32 0.48 0.00 0.56 0.00 0.00 179.97 180.67 1t17 h ALA 130 N -0.01 1.90 -0.14 0.04 0.00 -0.30 0.29 119.26 121.05 1t17 h ALA 130 Ca -0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1t17 h ALA 130 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1t17 h ALA 130 CO 0.09 -0.06 -0.52 0.00 0.00 0.00 0.00 179.25 178.76 1t17 h ALA 131 N 1.64 0.86 -0.51 0.00 0.00 0.09 -0.78 119.26 120.56 1t17 h ALA 131 Ca 0.34 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1t17 h ALA 131 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1t17 h ALA 131 CO -0.12 0.68 0.04 0.78 0.00 0.00 0.00 179.25 180.63 1t17 h GLY 132 N 1.24 0.93 1.03 0.00 0.00 0.32 0.79 103.07 107.38 1t17 h GLY 132 Ca 0.01 -0.65 -0.14 0.00 0.00 0.00 0.00 47.33 46.54 1t17 h GLY 132 CO 0.09 0.60 -0.37 0.07 0.00 0.00 0.00 176.54 176.94 1t17 h LYS 133 N 0.74 0.77 -0.73 4.80 2.10 -1.00 -1.22 116.57 122.02 1t17 h LYS 133 Ca 0.15 -0.43 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1t17 h LYS 133 Cb 0.46 0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.78 1t17 h LYS 133 CO 0.02 1.06 0.46 1.37 -2.00 0.00 0.00 179.45 180.36 1t17 h LEU 134 N 0.53 0.86 -0.31 7.07 8.10 -0.98 0.41 115.31 131.00 1t17 h LEU 134 Ca 0.04 -0.05 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1t17 h LEU 134 Cb 0.95 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.94 1t17 h LEU 134 CO 0.09 0.65 0.12 0.40 -4.11 0.00 0.00 178.44 175.59 1t17 h ILE 135 N 1.00 1.18 -0.26 0.15 2.04 -0.72 -1.26 117.51 119.64 1t17 h ILE 135 Ca 0.27 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1t17 h ILE 135 Cb -0.07 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1t17 h ILE 135 CO -0.05 0.19 -0.00 0.00 0.00 0.00 0.00 178.15 178.29 1t17 h ALA 136 N 0.97 1.53 0.14 1.87 0.00 -0.65 0.51 119.26 123.62 1t17 h ALA 136 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1t17 h ALA 136 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1t17 h ALA 136 CO -0.01 0.35 -0.07 0.00 0.00 0.00 0.00 179.25 179.52 1t17 h PHE 138 N -0.24 1.15 0.11 0.00 3.57 -0.71 -0.97 116.94 119.85 1t17 h PHE 138 Ca -0.02 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1t17 h PHE 138 Cb 0.19 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1t17 h PHE 138 CO -0.05 0.84 -0.05 1.49 -2.23 0.00 0.00 178.31 178.31 1t17 h GLU 139 N 1.13 -0.14 -0.68 1.11 4.22 -0.59 0.17 114.58 119.79 1t17 h GLU 139 Ca 0.27 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.78 1t17 h GLU 139 Cb 0.12 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1t17 h GLU 139 CO -0.03 -0.09 0.39 0.00 -2.18 0.00 0.00 179.01 177.10 1t17 h ALA 140 N 0.73 0.91 -0.58 2.92 0.00 -0.44 -0.18 119.26 122.63 1t17 h ALA 140 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1t17 h ALA 140 Cb 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1t17 h ALA 140 CO 0.03 0.09 0.28 0.00 0.00 0.00 0.00 179.25 179.64 1t17 h ARG 141 N 0.73 0.82 -0.39 0.00 3.08 -0.74 0.50 114.38 118.38 1t17 h ARG 141 Ca 0.30 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1t17 h ARG 141 Cb 0.16 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1t17 h ARG 141 CO -0.17 0.64 0.14 0.00 -1.07 0.00 0.00 179.97 179.51 1t17 h ALA 142 N 1.49 0.51 -0.06 0.04 0.00 0.99 0.37 119.26 122.59 1t17 h ALA 142 Ca 0.20 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1t17 h ALA 142 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1t17 h ALA 142 CO -0.03 0.14 -0.58 0.37 0.00 0.00 0.00 179.25 179.15 1t17 h GLN 143 N 0.49 0.21 0.00 0.00 4.15 -0.51 0.45 115.11 119.90 1t17 h GLN 143 Ca 0.13 -0.14 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1t17 h GLN 143 Cb 0.23 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1t17 h GLN 143 CO -0.01 0.73 -0.53 0.37 -1.93 0.00 0.00 178.83 177.46 1t17 h GLN 144 N 0.16 0.00 0.00 1.69 -0.00 0.39 0.96 115.11 118.31 1t17 h GLN 144 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1t17 h GLN 144 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.55 1t17 h GLN 144 CO 0.09 0.53 -0.07 1.25 0.00 0.00 0.00 178.83 180.63 1t17 h LEU 145 N 0.00 0.00 0.00 -2.39 6.46 -0.02 -3.41 115.31 115.94 1t17 h LEU 145 Ca -0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1t17 h LEU 145 Cb 1.07 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.00 1t17 h LEU 145 CO 0.07 0.54 -0.01 1.12 -0.62 0.00 0.00 178.44 179.53 1t17 h HIS 146 N -1.00 0.00 -5.85 1.25 2.07 -1.00 -3.46 115.15 107.15 1t17 h HIS 146 Ca 0.00 0.00 -0.42 0.00 -2.85 0.00 0.00 60.37 57.10 1t17 h HIS 146 Cb 0.07 0.00 -0.26 0.00 2.57 0.00 0.00 27.41 29.79 1t17 h HIS 146 CO -0.03 0.09 -0.61 0.41 -3.07 0.00 0.00 177.93 174.72 1t17 n GLY 147 N 1.76 -0.28 0.00 6.13 0.00 0.33 -5.02 105.19 108.11 1t17 n GLY 147 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1t17 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32