#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 3.50 -0.10 1.12 0.00 -1.26 -4.99 115.29 113.57 1t17 s HIS 2 Ca 0.00 0.56 0.02 0.00 -3.00 0.00 0.00 55.06 52.64 1t17 s HIS 2 Cb 0.00 -2.06 0.01 0.00 -4.00 0.00 0.00 32.58 26.53 1t17 s HIS 2 CO 0.00 0.05 -0.16 0.50 -1.00 0.00 0.00 174.74 174.13 1t17 s ARG 3 N -4.12 2.24 -0.15 -0.38 3.52 -1.26 -3.57 118.95 115.22 1t17 s ARG 3 Ca 0.43 -0.58 -0.18 0.00 -0.13 0.00 0.00 55.73 55.28 1t17 s ARG 3 Cb -0.10 -1.85 -0.04 0.00 -1.56 0.00 0.00 34.95 31.40 1t17 s ARG 3 CO 0.36 -0.01 0.46 -1.01 -0.81 0.00 0.00 175.30 174.29 1t17 s HIS 4 N 0.82 3.45 -0.07 5.12 3.76 0.33 -4.93 115.29 123.78 1t17 s HIS 4 Ca -0.10 0.80 0.02 0.00 -0.15 0.00 0.00 55.06 55.63 1t17 s HIS 4 Cb -0.16 -2.56 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 1t17 s HIS 4 CO 0.01 0.08 -0.12 0.54 -0.85 0.00 0.00 174.74 174.40 1t17 s VAL 5 N 0.97 3.20 -0.10 -0.90 0.11 -1.26 -0.67 120.40 121.76 1t17 s VAL 5 Ca 0.24 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 58.61 1t17 s VAL 5 Cb -0.15 -2.28 0.04 0.00 -1.53 0.00 0.00 36.38 32.46 1t17 s VAL 5 CO 0.09 0.58 0.04 -0.69 -3.33 0.00 0.00 175.10 171.79 1t17 s VAL 6 N -0.55 0.17 -0.31 2.04 1.01 0.14 -4.99 120.40 117.91 1t17 s VAL 6 Ca 0.08 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1t17 s VAL 6 Cb -0.12 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.81 1t17 s VAL 6 CO 0.02 0.08 0.06 -0.89 0.00 0.00 0.00 175.10 174.36 1t17 s THR 7 N 2.05 3.56 0.26 3.92 2.01 -1.26 -0.05 115.64 126.13 1t17 s THR 7 Ca 0.04 -1.08 0.11 0.00 0.31 0.00 0.00 61.69 61.07 1t17 s THR 7 Cb -0.13 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 1t17 s THR 7 CO -0.06 -0.07 -0.13 -1.59 -0.69 0.00 0.00 174.62 172.08 1t17 s LYS 8 N 1.38 1.89 -0.05 4.92 -2.85 -0.70 -4.98 119.74 119.35 1t17 s LYS 8 Ca -0.01 -1.60 0.01 0.00 -1.00 0.00 0.00 55.97 53.37 1t17 s LYS 8 Cb -0.19 -1.93 0.02 0.00 -2.06 0.00 0.00 37.83 33.67 1t17 s LYS 8 CO 0.01 0.36 -0.06 0.54 0.10 0.00 0.00 175.35 176.30 1t17 s VAL 9 N -2.32 0.67 -0.09 1.79 0.11 -1.26 -0.38 120.40 118.92 1t17 s VAL 9 Ca 0.29 -0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1t17 s VAL 9 Cb -0.06 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1t17 s VAL 9 CO 0.16 0.26 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.38 1t17 s LEU 10 N 0.92 1.00 -1.22 2.54 1.43 0.52 -4.97 118.68 118.89 1t17 s LEU 10 Ca -0.11 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1t17 s LEU 10 Cb -0.15 -0.66 -0.07 0.00 0.03 0.00 0.00 46.19 45.34 1t17 s LEU 10 CO 0.00 -0.13 2.47 -0.81 0.23 0.00 0.00 176.35 178.12 1t17 n PRO 11 N 4.88 2.78 -4.47 1.29 -0.04 -1.26 -1.51 135.00 136.67 1t17 n PRO 11 Ca -0.12 -1.79 -0.24 0.00 -0.04 0.00 0.00 63.50 61.31 1t17 n PRO 11 Cb 0.50 -2.61 -0.08 0.00 -0.04 0.00 0.00 33.50 31.27 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 2.90 1.77 0.67 0.54 2.02 -1.26 -4.92 117.35 119.06 1t17 s TYR 12 Ca 0.53 -1.36 -0.11 0.00 -0.37 0.00 0.00 57.07 55.76 1t17 s TYR 12 Cb 0.14 -1.07 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 1t17 s TYR 12 CO -0.04 -0.41 1.05 0.95 -1.57 0.00 0.00 175.55 175.52 1t17 s THR 13 N -3.26 4.27 -1.87 -0.71 -4.23 -1.26 -4.38 115.64 104.19 1t17 s THR 13 Ca 0.27 0.74 0.24 0.00 -1.18 0.00 0.00 61.69 61.75 1t17 s THR 13 Cb 0.02 -3.58 0.62 0.00 1.34 0.00 0.00 72.50 70.90 1t17 s THR 13 CO 0.17 -0.96 1.78 -0.81 -0.54 0.00 0.00 174.62 174.26 1t17 n PRO 14 N -2.98 0.65 -0.08 3.99 -0.04 -1.26 -3.01 135.00 132.27 1t17 n PRO 14 Ca 0.07 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 1t17 n PRO 14 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.69 -0.26 3.54 1.82 -2.02 -2.68 116.42 117.52 1t17 h ASP 15 Ca 0.00 -0.49 0.08 0.00 -0.39 0.00 0.00 57.03 56.23 1t17 h ASP 15 Cb 0.05 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.85 1t17 h ASP 15 CO 0.00 1.04 0.37 1.56 -1.61 0.00 0.00 179.24 180.61 1t17 h GLN 16 N 0.36 0.00 -0.28 0.28 4.20 -1.94 0.42 115.11 118.16 1t17 h GLN 16 Ca 0.03 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.56 1t17 h GLN 16 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1t17 h GLN 16 CO 0.07 0.00 -0.54 -0.07 -0.67 0.00 0.00 178.83 177.63 1t17 h LEU 17 N 0.00 0.95 -1.33 1.46 3.38 -1.68 -3.01 115.31 115.09 1t17 h LEU 17 Ca 0.12 -0.54 0.33 0.00 0.09 0.00 0.00 57.88 57.89 1t17 h LEU 17 Cb 0.87 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 1t17 h LEU 17 CO -0.00 1.31 0.72 0.15 0.09 0.00 0.00 178.44 180.71 1t17 h PHE 18 N 0.63 0.65 0.00 1.13 3.04 -0.16 1.45 116.94 123.68 1t17 h PHE 18 Ca 0.01 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.79 1t17 h PHE 18 Cb 1.15 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.45 1t17 h PHE 18 CO 0.08 -0.06 -0.94 0.93 -2.02 0.00 0.00 178.31 176.29 1t17 h GLU 19 N 0.28 0.01 -0.15 1.11 5.08 -1.57 -3.16 114.58 116.18 1t17 h GLU 19 Ca 0.69 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.84 1t17 h GLU 19 Cb 1.88 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1t17 h GLU 19 CO -0.38 0.94 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.82 1t17 h LEU 20 N 0.00 0.73 -2.11 1.33 3.38 0.18 0.24 115.31 119.06 1t17 h LEU 20 Ca -0.01 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1t17 h LEU 20 Cb 1.66 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1t17 h LEU 20 CO 0.12 1.21 -0.05 0.58 0.09 0.00 0.00 178.44 180.39 1t17 h VAL 21 N 0.45 0.76 -0.22 1.22 2.07 0.32 -0.80 116.25 120.04 1t17 h VAL 21 Ca -0.02 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1t17 h VAL 21 Cb 1.27 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1t17 h VAL 21 CO 0.13 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1t17 n GLY 22 N -1.21 3.53 0.42 2.17 0.00 -1.05 -4.62 105.19 104.44 1t17 n GLY 22 Ca -0.03 -0.65 0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 1.37 0.09 0.27 1.61 -0.00 0.10 2.26 116.42 122.12 1t17 h ASP 23 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 1t17 h ASP 23 Cb 0.98 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.30 1t17 h ASP 23 CO 0.08 0.04 0.00 1.33 -0.00 0.00 0.00 179.24 180.69 1t17 n VAL 24 N -4.36 1.31 -1.92 2.25 0.24 -1.26 -2.10 118.33 112.49 1t17 n VAL 24 Ca 0.15 0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.88 1t17 n VAL 24 Cb 0.77 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 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 -1.79 0.00 0.00 -1.34 2.03 0.54 -4.05 116.55 111.94 1t17 n ASP 25 Ca 0.01 -1.64 0.00 0.00 0.52 0.00 0.00 54.79 53.68 1t17 n ASP 25 Cb 0.10 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.00 0.00 -1.03 -1.67 0.00 0.64 -5.04 120.51 113.41 1t17 n ALA 26 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1t17 n ALA 26 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 1t17 n ALA 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1t17 n TYR 27 N 0.00 -2.19 0.09 0.00 4.02 -1.26 -4.69 117.16 113.13 1t17 n TYR 27 Ca 0.00 1.14 -0.05 0.00 -0.01 0.00 0.00 57.90 58.98 1t17 n TYR 27 Cb 0.00 -1.99 -0.02 0.00 -0.02 0.00 0.00 39.34 37.31 1t17 n TYR 27 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1t17 h PRO 28 N -1.17 -0.29 0.00 -0.72 0.13 -2.00 -3.49 132.00 124.46 1t17 h PRO 28 Ca -0.04 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1t17 h PRO 28 Cb 1.22 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1t17 h PRO 28 CO 0.03 -0.20 0.00 1.63 -0.23 0.00 0.00 178.00 179.23 1t17 n LYS 29 N -4.71 0.00 0.00 0.86 4.76 -1.26 -5.05 118.16 112.76 1t17 n LYS 29 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1t17 n LYS 29 Cb 0.12 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 1t17 n LYS 29 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1t17 n PHE 30 N 0.00 0.00 -1.77 2.13 7.35 -1.26 -4.80 117.46 119.11 1t17 n PHE 30 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 1t17 n PHE 30 Cb 0.00 -0.05 0.01 0.00 0.35 0.00 0.00 39.48 39.79 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 -1.20 -1.17 0.02 -2.13 0.24 -1.26 -4.82 118.33 108.00 1t17 n VAL 31 Ca 0.00 0.08 -0.19 0.00 -2.04 0.00 0.00 64.34 62.19 1t17 n VAL 31 Cb 0.00 -1.22 -0.09 0.00 -1.47 0.00 0.00 33.84 31.06 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 1.18 0.72 -0.06 7.34 0.13 -1.96 -2.94 132.00 136.40 1t17 h PRO 32 Ca -0.14 -0.70 0.02 0.00 -0.87 0.00 0.00 66.00 64.31 1t17 h PRO 32 Cb 0.47 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 1t17 h PRO 32 CO 0.06 1.29 0.37 0.11 -0.23 0.00 0.00 178.00 179.59 1t17 h TRP 33 N 0.42 0.00 -4.64 1.56 0.09 -1.89 -3.42 115.95 108.08 1t17 h TRP 33 Ca -0.10 0.00 -0.48 0.00 0.09 0.00 0.00 58.89 58.40 1t17 h TRP 33 Cb 1.57 0.00 -0.10 0.00 0.08 0.00 0.00 29.16 30.71 1t17 h TRP 33 CO 0.10 0.00 -0.39 1.51 0.09 0.00 0.00 178.44 179.75 1t17 n ILE 34 N -3.01 0.00 0.00 0.12 3.06 -1.11 -4.87 119.36 113.55 1t17 n ILE 34 Ca -0.00 -2.00 0.00 0.00 -2.50 0.00 0.00 62.75 58.24 1t17 n ILE 34 Cb 0.43 0.68 0.00 0.00 0.54 0.00 0.00 39.64 41.30 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 -0.81 0.00 -3.95 9.51 5.66 -1.24 -4.72 114.28 118.73 1t17 n THR 35 Ca -0.06 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.67 1t17 n THR 35 Cb 0.52 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 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 -0.80 1.73 -0.03 1.09 0.00 -1.26 -4.96 107.32 103.09 1t17 s GLY 36 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 1t17 s GLY 36 CO 0.00 -1.03 0.68 -3.16 0.00 0.00 0.00 173.10 169.59 1t17 s MET 37 N -3.19 1.08 -0.27 2.90 0.00 -1.25 -0.95 119.30 117.62 1t17 s MET 37 Ca 0.34 0.16 -0.25 0.00 0.00 0.00 0.00 55.69 55.95 1t17 s MET 37 Cb -0.11 0.51 0.07 0.00 0.00 0.00 0.00 34.83 35.29 1t17 s MET 37 CO 0.28 -0.36 0.71 0.50 0.00 0.00 0.00 175.02 176.16 1t17 s ARG 38 N -1.53 0.83 -0.09 3.16 6.06 -0.80 -4.98 118.95 121.61 1t17 s ARG 38 Ca -0.09 1.00 -0.01 0.00 -2.50 0.00 0.00 55.73 54.13 1t17 s ARG 38 Cb -0.00 0.40 0.03 0.00 0.06 0.00 0.00 34.95 35.44 1t17 s ARG 38 CO 0.07 -0.10 -0.02 0.95 -2.50 0.00 0.00 175.30 173.70 1t17 s THR 39 N 0.42 0.56 -0.03 4.11 -4.23 -1.26 -0.71 115.64 114.50 1t17 s THR 39 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1t17 s THR 39 Cb -0.05 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.10 1t17 s THR 39 CO 0.00 0.27 0.00 -2.67 -0.54 0.00 0.00 174.62 171.69 1t17 n TRP 40 N 5.09 0.00 -2.55 3.99 2.14 -0.87 -4.98 117.44 120.25 1t17 n TRP 40 Ca -0.09 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.45 1t17 n TRP 40 Cb 0.50 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.97 1t17 n TRP 40 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1t17 n ASN 41 N 0.02 -2.48 0.00 -0.67 2.85 -1.26 -1.20 115.26 112.52 1t17 n ASN 41 Ca 0.00 1.28 0.00 0.00 -0.11 0.00 0.00 54.58 55.75 1t17 n ASN 41 Cb 0.00 -5.01 0.00 0.00 1.24 0.00 0.00 39.78 36.01 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 1.32 -0.70 3.34 8.20 0.00 -1.26 -1.64 105.19 114.46 1t17 n GLY 42 Ca -0.29 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.65 1.32 -0.08 1.61 1.04 0.18 -4.96 118.95 117.41 1t17 s ARG 43 Ca 0.00 -1.59 0.05 0.00 -1.04 0.00 0.00 55.73 53.14 1t17 s ARG 43 Cb 0.00 -1.09 -0.01 0.00 -2.04 0.00 0.00 34.95 31.81 1t17 s ARG 43 CO 0.00 0.17 -0.23 0.54 -0.04 0.00 0.00 175.30 175.74 1t17 s VAL 44 N -3.00 2.22 0.14 4.99 0.11 -1.26 -1.05 120.40 122.55 1t17 s VAL 44 Ca 0.23 -0.99 0.06 0.00 -2.93 0.00 0.00 61.98 58.35 1t17 s VAL 44 Cb -0.00 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 1t17 s VAL 44 CO 0.07 0.56 -0.14 -0.62 -3.33 0.00 0.00 175.10 171.64 1t17 s ASP 45 N 0.05 2.09 -0.23 3.54 -1.08 -0.43 -4.99 116.67 115.62 1t17 s ASP 45 Ca -0.09 -0.86 -0.42 0.00 -0.52 0.00 0.00 52.55 50.65 1t17 s ASP 45 Cb -0.15 -0.07 -0.19 0.00 -1.46 0.00 0.00 42.92 41.04 1t17 s ASP 45 CO 0.06 -0.16 1.29 0.61 0.52 0.00 0.00 175.17 177.48 1t17 n GLY 46 N 0.31 -0.05 3.42 2.66 0.00 -1.26 0.21 105.19 110.48 1t17 n GLY 46 Ca -0.14 0.86 -0.21 0.00 0.00 0.00 0.00 46.02 46.53 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 2.62 -1.05 -2.87 4.61 0.00 -1.26 -4.83 120.51 117.74 1t17 n ALA 47 Ca 0.25 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1t17 n ALA 47 Cb 0.01 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 17.92 1t17 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t17 s VAL 48 N -2.53 0.10 -0.16 0.00 1.01 0.56 -0.56 120.40 118.82 1t17 s VAL 48 Ca 0.41 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1t17 s VAL 48 Cb -0.24 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.19 1t17 s VAL 48 CO 0.51 -0.47 0.41 -0.55 0.00 0.00 0.00 175.10 174.99 1t17 s SER 49 N -2.24 -0.49 -0.09 3.32 0.15 0.13 -1.31 113.70 113.17 1t17 s SER 49 Ca -0.03 0.87 -0.01 0.00 0.70 0.00 0.00 55.95 57.48 1t17 s SER 49 Cb 0.00 0.78 0.03 0.00 -1.71 0.00 0.00 66.02 65.12 1t17 s SER 49 CO -0.05 -0.18 -0.03 -0.89 1.20 0.00 0.00 173.24 173.29 1t17 s THR 50 N 1.10 0.63 0.29 6.45 2.01 -0.21 0.12 115.64 126.02 1t17 s THR 50 Ca -0.07 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 1t17 s THR 50 Cb -0.07 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.71 1t17 s THR 50 CO -0.09 0.29 0.54 0.68 -0.69 0.00 0.00 174.62 175.34 1t17 s VAL 51 N 1.87 0.00 0.39 3.82 -7.23 -0.56 0.49 120.40 119.18 1t17 s VAL 51 Ca 0.05 -1.37 -0.20 0.00 -1.81 0.00 0.00 61.98 58.65 1t17 s VAL 51 Cb -0.12 -2.37 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 1t17 s VAL 51 CO -0.06 0.00 0.89 -1.81 -0.31 0.00 0.00 175.10 173.80 1t17 s ASP 52 N -3.06 6.93 -0.24 4.85 1.11 -0.34 0.41 116.67 126.32 1t17 s ASP 52 Ca 0.22 1.59 -0.00 0.00 0.18 0.00 0.00 52.55 54.54 1t17 s ASP 52 Cb -0.02 -2.50 0.07 0.00 1.07 0.00 0.00 42.92 41.54 1t17 s ASP 52 CO 0.12 -0.29 -0.00 0.00 1.18 0.00 0.00 175.17 176.17 1t17 s ALA 53 N -2.07 1.75 -0.56 5.23 0.00 0.53 -2.06 121.76 124.58 1t17 s ALA 53 Ca 0.59 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 1t17 s ALA 53 Cb -0.10 -1.44 0.10 0.00 0.00 0.00 0.00 23.12 21.68 1t17 s ALA 53 CO 0.15 -1.29 0.64 -2.00 0.00 0.00 0.00 175.76 173.26 1t17 s GLU 54 N 1.50 3.04 0.09 0.00 2.12 0.11 -0.62 118.70 124.95 1t17 s GLU 54 Ca -0.01 -1.30 0.02 0.00 0.36 0.00 0.00 54.97 54.03 1t17 s GLU 54 Cb -0.18 -4.23 -0.04 0.00 0.26 0.00 0.00 34.13 29.94 1t17 s GLU 54 CO -0.09 -1.41 0.16 0.00 -0.54 0.00 0.00 175.26 173.37 1t17 s ALA 55 N 2.43 3.77 0.33 6.30 0.00 0.24 -1.90 121.76 132.94 1t17 s ALA 55 Ca 0.10 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.13 1t17 s ALA 55 Cb -0.24 -1.61 -0.07 0.00 0.00 0.00 0.00 23.12 21.21 1t17 s ALA 55 CO 0.07 0.71 0.02 -0.65 0.00 0.00 0.00 175.76 175.91 1t17 s GLN 56 N -2.65 1.70 -0.09 0.00 -0.21 -0.12 -1.41 119.66 116.87 1t17 s GLN 56 Ca 0.32 -1.93 0.02 0.00 0.02 0.00 0.00 55.36 53.79 1t17 s GLN 56 Cb -0.12 -1.11 0.02 0.00 1.00 0.00 0.00 33.01 32.80 1t17 s GLN 56 CO 0.25 -0.10 -0.13 0.14 -2.12 0.00 0.00 175.29 173.33 1t17 s VAL 57 N -3.10 1.27 0.00 1.09 -7.23 -1.18 -3.67 120.40 107.57 1t17 s VAL 57 Ca 0.35 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 1t17 s VAL 57 Cb 0.08 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.84 1t17 s VAL 57 CO 0.15 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 1t17 n GLY 58 N 4.19 -0.23 1.76 2.32 0.00 -1.26 -4.24 105.19 107.73 1t17 n GLY 58 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 1t17 n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t17 n PHE 59 N -1.13 0.27 0.01 1.61 3.72 -1.26 -3.79 117.46 116.89 1t17 n PHE 59 Ca 0.00 -1.32 0.07 0.00 -0.05 0.00 0.00 57.45 56.15 1t17 n PHE 59 Cb 0.00 -0.94 0.15 0.00 -0.94 0.00 0.00 39.48 37.75 1t17 n PHE 59 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1t17 n SER 60 N 1.63 2.85 0.00 4.37 7.64 -1.26 -4.94 113.62 123.91 1t17 n SER 60 Ca 0.19 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.20 1t17 n SER 60 Cb 0.64 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.74 0.00 -3.46 1.43 7.35 -1.25 -4.87 117.46 117.41 1t17 n PHE 61 Ca 0.12 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.56 1t17 n PHE 61 Cb 0.43 -1.70 -0.12 0.00 0.35 0.00 0.00 39.48 38.44 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 0.46 -0.88 -2.13 0.20 -1.26 -5.08 118.68 109.99 1t17 s LEU 62 Ca 0.00 -1.58 -0.25 0.00 0.69 0.00 0.00 54.13 52.99 1t17 s LEU 62 Cb 0.00 -0.06 0.01 0.00 -0.43 0.00 0.00 46.19 45.71 1t17 s LEU 62 CO 0.00 -0.35 1.60 -0.60 -0.29 0.00 0.00 176.35 176.71 1t17 s ARG 63 N 1.65 3.11 0.03 1.98 3.00 -1.26 -4.66 118.95 122.80 1t17 s ARG 63 Ca 0.14 -0.50 -0.08 0.00 -1.00 0.00 0.00 55.73 54.29 1t17 s ARG 63 Cb -0.18 -4.92 -0.00 0.00 0.00 0.00 0.00 34.95 29.85 1t17 s ARG 63 CO -0.16 -2.58 0.15 -1.21 0.00 0.00 0.00 175.30 171.49 1t17 s GLU 64 N 5.94 0.61 0.04 5.12 2.02 -1.26 -5.05 118.70 126.12 1t17 s GLU 64 Ca 0.53 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.92 1t17 s GLU 64 Cb -0.05 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.39 1t17 s GLU 64 CO 0.01 -0.16 0.03 0.15 0.02 0.00 0.00 175.26 175.31 1t17 s LYS 65 N -2.34 2.79 0.04 1.61 1.02 -1.26 -3.11 119.74 118.48 1t17 s LYS 65 Ca -0.07 -0.67 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 1t17 s LYS 65 Cb -0.02 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1t17 s LYS 65 CO -0.03 0.59 0.10 -0.06 -0.92 0.00 0.00 175.35 175.03 1t17 s PHE 66 N -1.24 0.20 -0.01 3.18 0.08 -0.50 -4.97 117.98 114.72 1t17 s PHE 66 Ca 0.24 -0.51 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 1t17 s PHE 66 Cb -0.12 -0.14 0.00 0.00 -0.57 0.00 0.00 43.02 42.19 1t17 s PHE 66 CO 0.16 -0.37 0.05 0.00 -0.10 0.00 0.00 175.22 174.96 1t17 s ALA 67 N -2.69 -0.13 0.06 5.36 0.00 -1.26 -0.59 121.76 122.52 1t17 s ALA 67 Ca -0.04 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 1t17 s ALA 67 Cb -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1t17 s ALA 67 CO -0.05 -0.06 0.30 0.95 0.00 0.00 0.00 175.76 176.89 1t17 s THR 68 N -0.30 0.09 -0.35 0.00 -4.23 0.21 -1.73 115.64 109.32 1t17 s THR 68 Ca -0.04 -0.76 -0.28 0.00 -1.18 0.00 0.00 61.69 59.44 1t17 s THR 68 Cb -0.02 -1.04 0.02 0.00 1.34 0.00 0.00 72.50 72.79 1t17 s THR 68 CO 0.00 -0.42 1.02 -0.60 -0.54 0.00 0.00 174.62 174.09 1t17 s ARG 69 N -2.96 3.95 -0.08 3.99 3.52 0.01 0.20 118.95 127.57 1t17 s ARG 69 Ca -0.02 0.83 -0.09 0.00 -0.13 0.00 0.00 55.73 56.32 1t17 s ARG 69 Cb 0.01 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 1t17 s ARG 69 CO -0.06 -0.97 0.21 0.54 -0.81 0.00 0.00 175.30 174.21 1t17 s VAL 70 N 3.67 5.38 -0.08 7.11 0.11 0.17 -1.29 120.40 135.46 1t17 s VAL 70 Ca 0.43 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 1t17 s VAL 70 Cb -0.11 -3.49 0.02 0.00 -1.53 0.00 0.00 36.38 31.27 1t17 s VAL 70 CO 0.18 0.59 -0.07 -0.13 -3.33 0.00 0.00 175.10 172.35 1t17 s ARG 71 N -1.10 1.27 0.11 1.54 0.52 0.14 -1.49 118.95 119.94 1t17 s ARG 71 Ca 0.18 -0.19 0.11 0.00 -0.52 0.00 0.00 55.73 55.30 1t17 s ARG 71 Cb -0.13 -1.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.99 1t17 s ARG 71 CO 0.07 -0.18 -0.27 -0.98 0.02 0.00 0.00 175.30 173.96 1t17 s ARG 72 N 1.42 1.50 -0.08 3.54 1.70 0.12 -1.44 118.95 125.71 1t17 s ARG 72 Ca -0.02 -1.29 -0.03 0.00 -0.47 0.00 0.00 55.73 53.92 1t17 s ARG 72 Cb -0.13 -1.92 0.05 0.00 -0.57 0.00 0.00 34.95 32.37 1t17 s ARG 72 CO -0.04 0.46 0.15 0.34 -1.08 0.00 0.00 175.30 175.13 1t17 s ASP 73 N -1.88 0.82 0.00 -2.89 -1.08 -1.09 0.22 116.67 110.77 1t17 s ASP 73 Ca 0.14 0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.73 1t17 s ASP 73 Cb -0.10 0.22 0.91 0.00 -1.46 0.00 0.00 42.92 42.49 1t17 s ASP 73 CO 0.05 -0.25 1.67 2.29 0.52 0.00 0.00 175.17 179.45 1t17 n LYS 74 N 5.32 0.57 -0.01 4.34 2.85 0.27 -0.06 118.16 131.45 1t17 n LYS 74 Ca -0.04 -0.27 0.04 0.00 -1.05 0.00 0.00 58.31 56.99 1t17 n LYS 74 Cb 0.50 -1.49 -0.13 0.00 -0.65 0.00 0.00 35.03 33.26 1t17 n LYS 74 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t17 n ASP 75 N -0.98 0.28 -0.02 -5.58 9.92 -1.17 -4.29 116.55 114.71 1t17 n ASP 75 Ca 0.11 0.12 0.03 0.00 -0.53 0.00 0.00 54.79 54.53 1t17 n ASP 75 Cb 0.32 1.21 -0.10 0.00 -0.64 0.00 0.00 41.12 41.90 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 -2.38 2.29 -3.17 2.24 0.00 -1.22 -5.00 120.51 113.27 1t17 n ALA 76 Ca -0.11 -0.46 -0.20 0.00 0.00 0.00 0.00 53.44 52.68 1t17 n ALA 76 Cb 0.75 -0.35 0.05 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.10 -5.48 -4.27 0.00 3.00 0.92 -5.00 116.66 103.72 1t17 n ARG 77 Ca -0.07 0.75 -0.15 0.00 -0.01 0.00 0.00 57.85 58.37 1t17 n ARG 77 Cb 0.50 -5.38 -0.10 0.00 0.00 0.00 0.00 32.46 27.48 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1t17 s SER 78 N -3.01 1.75 -0.01 0.55 1.04 -1.16 -4.33 113.70 108.52 1t17 s SER 78 Ca 0.38 -1.08 0.02 0.00 0.48 0.00 0.00 55.95 55.75 1t17 s SER 78 Cb -0.17 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1t17 s SER 78 CO 0.47 -0.40 -0.06 -0.63 0.98 0.00 0.00 173.24 173.60 1t17 s ILE 79 N -3.38 0.53 -0.03 -1.02 -1.09 -0.78 -2.66 121.20 112.77 1t17 s ILE 79 Ca 0.20 -0.24 -0.02 0.00 -2.23 0.00 0.00 60.65 58.36 1t17 s ILE 79 Cb 0.04 -0.47 0.01 0.00 -1.58 0.00 0.00 42.46 40.45 1t17 s ILE 79 CO 0.03 0.17 0.07 -0.62 -1.23 0.00 0.00 174.94 173.35 1t17 s ASP 80 N 0.12 -0.07 0.02 3.58 2.15 -0.52 -1.37 116.67 120.59 1t17 s ASP 80 Ca -0.01 0.14 0.02 0.00 0.43 0.00 0.00 52.55 53.12 1t17 s ASP 80 Cb -0.06 0.13 -0.01 0.00 -0.30 0.00 0.00 42.92 42.68 1t17 s ASP 80 CO -0.00 -0.03 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.21 1t17 s VAL 81 N 0.10 0.51 0.17 1.11 1.01 0.30 0.24 120.40 123.85 1t17 s VAL 81 Ca -0.01 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1t17 s VAL 81 Cb -0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1t17 s VAL 81 CO -0.00 -0.14 -0.03 -0.44 0.00 0.00 0.00 175.10 174.49 1t17 s SER 82 N -0.90 1.46 0.20 3.32 0.01 -0.41 -1.42 113.70 115.96 1t17 s SER 82 Ca -0.04 -1.12 -0.30 0.00 1.31 0.00 0.00 55.95 55.80 1t17 s SER 82 Cb -0.06 0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.14 1t17 s SER 82 CO 0.00 -0.49 1.33 -0.22 0.41 0.00 0.00 173.24 174.27 1t17 s LEU 83 N -3.18 4.41 0.09 2.44 2.96 0.34 -0.81 118.68 124.93 1t17 s LEU 83 Ca 0.21 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.56 1t17 s LEU 83 Cb 0.05 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1t17 s LEU 83 CO 0.03 -0.55 0.00 -0.11 -1.32 0.00 0.00 176.35 174.39 1t17 n LEU 84 N 2.64 0.59 0.00 -0.68 0.00 -1.22 -4.71 117.00 113.63 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 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 43.42 43.71 1t17 n LEU 84 CO 0.58 -0.54 0.08 0.00 0.00 0.00 0.00 177.39 177.52 1t17 n TYR 85 N -3.30 0.00 0.00 1.96 4.19 -0.94 -5.02 117.16 114.06 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 0.14 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.97 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 0.28 -3.45 3.60 2.98 0.00 -0.71 -4.71 105.19 103.18 1t17 n GLY 86 Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 3.61 -0.62 1.61 0.04 -1.26 -4.89 135.00 133.49 1t17 s PRO 87 Ca 0.00 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 61.76 1t17 s PRO 87 Cb 0.00 -4.01 -0.24 0.00 0.04 0.00 0.00 34.50 30.29 1t17 s PRO 87 CO 0.00 -1.52 1.84 1.19 0.04 0.00 0.00 177.00 178.55 1t17 n PHE 88 N 8.69 1.20 0.00 0.56 3.01 -1.26 -2.67 117.46 126.99 1t17 n PHE 88 Ca 0.16 -1.04 0.00 0.00 1.01 0.00 0.00 57.45 57.59 1t17 n PHE 88 Cb 0.48 -1.66 0.00 0.00 -0.01 0.00 0.00 39.48 38.29 1t17 n PHE 88 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1t17 n LYS 89 N 7.74 0.00 0.00 -1.08 4.81 -1.26 -5.14 118.16 123.23 1t17 n LYS 89 Ca 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1t17 n LYS 89 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 1t17 n LYS 89 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1t17 n ARG 90 N -2.24 0.00 -3.18 1.64 0.63 -1.09 -4.95 116.66 107.47 1t17 n ARG 90 Ca 0.00 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 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 -0.30 0.13 6.15 0.20 -1.26 -1.00 118.68 122.60 1t17 s LEU 91 Ca 0.00 0.23 -0.05 0.00 0.69 0.00 0.00 54.13 55.00 1t17 s LEU 91 Cb 0.00 1.27 -0.02 0.00 -0.43 0.00 0.00 46.19 47.01 1t17 s LEU 91 CO 0.00 -0.06 0.16 0.20 -0.29 0.00 0.00 176.35 176.36 1t17 s ASN 92 N 2.79 0.19 -0.01 3.68 0.01 0.62 -0.50 114.94 121.72 1t17 s ASN 92 Ca -0.04 -0.96 -0.19 0.00 -0.71 0.00 0.00 52.86 50.96 1t17 s ASN 92 Cb -0.08 0.35 0.04 0.00 0.41 0.00 0.00 41.25 41.96 1t17 s ASN 92 CO -0.11 -0.78 0.41 0.20 -1.51 0.00 0.00 177.10 175.31 1t17 s ASN 93 N -2.97 -0.31 -0.09 -1.22 -0.87 -0.51 -1.10 114.94 107.87 1t17 s ASN 93 Ca 0.16 0.19 -0.14 0.00 -1.57 0.00 0.00 52.86 51.50 1t17 s ASN 93 Cb 0.05 0.39 0.03 0.00 -0.02 0.00 0.00 41.25 41.71 1t17 s ASN 93 CO -0.02 -0.54 0.36 -0.83 -2.57 0.00 0.00 177.10 173.49 1t17 s GLY 94 N -1.49 -0.24 -0.26 0.66 0.00 0.02 0.11 107.32 106.13 1t17 s GLY 94 Ca -0.11 0.81 0.01 0.00 0.00 0.00 0.00 44.72 45.43 1t17 s GLY 94 CO 0.04 0.64 -0.01 -0.98 0.00 0.00 0.00 173.10 172.78 1t17 s TRP 95 N -0.35 2.36 0.03 1.90 0.52 -0.47 -1.78 118.94 121.14 1t17 s TRP 95 Ca -0.05 -1.84 0.02 0.00 0.02 0.00 0.00 56.10 54.26 1t17 s TRP 95 Cb -0.03 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 1t17 s TRP 95 CO 0.02 -0.80 0.01 1.03 0.02 0.00 0.00 176.95 177.23 1t17 s ARG 96 N 1.40 2.75 -0.07 4.98 1.81 -0.49 -1.87 118.95 127.45 1t17 s ARG 96 Ca -0.01 -0.67 -0.02 0.00 -1.72 0.00 0.00 55.73 53.31 1t17 s ARG 96 Cb -0.19 -2.65 0.04 0.00 -0.45 0.00 0.00 34.95 31.70 1t17 s ARG 96 CO -0.09 0.60 0.05 -0.06 -0.68 0.00 0.00 175.30 175.12 1t17 s PHE 97 N -1.17 0.21 -0.01 -0.53 0.08 -1.26 -0.44 117.98 114.86 1t17 s PHE 97 Ca 0.22 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.35 1t17 s PHE 97 Cb -0.12 -0.58 0.00 0.00 -0.57 0.00 0.00 43.02 41.76 1t17 s PHE 97 CO 0.13 -0.27 -0.05 1.41 -0.10 0.00 0.00 175.22 176.34 1t17 s MET 98 N 2.12 0.51 0.52 0.44 1.75 -0.52 -4.99 119.30 119.14 1t17 s MET 98 Ca 0.04 -0.15 -0.19 0.00 -1.25 0.00 0.00 55.69 54.14 1t17 s MET 98 Cb -0.13 -0.52 -0.07 0.00 2.84 0.00 0.00 34.83 36.95 1t17 s MET 98 CO -0.04 0.06 1.04 -1.25 -0.65 0.00 0.00 175.02 174.17 1t17 s PRO 99 N 0.19 3.66 -0.43 4.11 0.04 -1.26 -0.98 135.00 140.32 1t17 s PRO 99 Ca -0.02 1.29 0.08 0.00 0.04 0.00 0.00 61.00 62.39 1t17 s PRO 99 Cb -0.06 -2.08 0.28 0.00 0.04 0.00 0.00 34.50 32.69 1t17 s PRO 99 CO -0.00 -0.54 0.81 0.39 0.04 0.00 0.00 177.00 177.69 1t17 n GLU 100 N -1.34 0.85 0.00 4.56 1.02 -0.62 -4.82 120.64 120.30 1t17 n GLU 100 Ca 0.09 -2.51 0.00 0.00 -0.02 0.00 0.00 57.16 54.71 1t17 n GLU 100 Cb 0.53 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 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 1.02 0.95 0.21 0.62 0.00 -1.26 -4.18 105.19 102.55 1t17 n GLY 101 Ca 0.15 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.78 1t17 n GLY 101 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1t17 h ASP 102 N 0.00 0.00 -1.89 1.61 3.04 -2.00 -3.45 116.42 113.73 1t17 h ASP 102 Ca 0.00 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.24 1t17 h ASP 102 Cb 0.00 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.21 1t17 h ASP 102 CO 0.00 0.01 -0.55 0.00 -2.04 0.00 0.00 179.24 176.66 1t17 s ALA 103 N -3.21 3.44 0.09 4.15 0.00 -1.26 -4.56 121.76 120.40 1t17 s ALA 103 Ca 0.07 -1.85 0.09 0.00 0.00 0.00 0.00 51.96 50.27 1t17 s ALA 103 Cb 0.05 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1t17 s ALA 103 CO 0.68 0.04 -0.23 -0.08 0.00 0.00 0.00 175.76 176.17 1t17 s THR 104 N -2.44 2.46 -0.08 0.00 -1.32 -0.57 -1.58 115.64 112.11 1t17 s THR 104 Ca 0.37 -1.50 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 1t17 s THR 104 Cb -0.02 -2.06 -0.03 0.00 -1.51 0.00 0.00 72.50 68.88 1t17 s THR 104 CO 0.22 0.21 -0.10 -0.60 -2.21 0.00 0.00 174.62 172.14 1t17 s ARG 105 N -1.76 2.91 -0.14 7.08 3.52 -0.15 -0.36 118.95 130.05 1t17 s ARG 105 Ca 0.14 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 1t17 s ARG 105 Cb -0.10 -2.58 -0.00 0.00 -1.56 0.00 0.00 34.95 30.71 1t17 s ARG 105 CO 0.06 0.52 -0.17 0.08 -0.81 0.00 0.00 175.30 174.98 1t17 s VAL 106 N -0.43 2.64 -0.30 7.11 1.01 0.49 -1.44 120.40 129.48 1t17 s VAL 106 Ca 0.06 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1t17 s VAL 106 Cb -0.12 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1t17 s VAL 106 CO 0.02 0.53 0.15 -1.61 0.00 0.00 0.00 175.10 174.19 1t17 s GLU 107 N 0.58 3.49 -0.39 2.72 2.02 0.42 -1.72 118.70 125.81 1t17 s GLU 107 Ca -0.10 -0.62 -0.10 0.00 0.02 0.00 0.00 54.97 54.18 1t17 s GLU 107 Cb -0.16 -3.55 0.05 0.00 0.10 0.00 0.00 34.13 30.57 1t17 s GLU 107 CO 0.03 -0.35 0.22 -0.06 0.02 0.00 0.00 175.26 175.12 1t17 s PHE 108 N 1.64 3.29 -0.29 1.61 0.40 0.93 -1.40 117.98 124.16 1t17 s PHE 108 Ca 0.05 -1.28 -0.07 0.00 -0.60 0.00 0.00 56.93 55.03 1t17 s PHE 108 Cb -0.17 -2.64 0.00 0.00 0.51 0.00 0.00 43.02 40.72 1t17 s PHE 108 CO 0.07 -0.75 0.08 0.14 0.70 0.00 0.00 175.22 175.46 1t17 s VAL 109 N 1.48 4.05 -0.10 -0.44 -7.23 -0.73 -0.68 120.40 116.75 1t17 s VAL 109 Ca 0.02 -0.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.61 1t17 s VAL 109 Cb -0.21 -3.05 0.01 0.00 0.56 0.00 0.00 36.38 33.69 1t17 s VAL 109 CO 0.04 0.12 -0.14 0.27 -0.31 0.00 0.00 175.10 175.08 1t17 s ILE 110 N 1.52 1.39 -0.03 -0.62 -5.25 0.16 -0.80 121.20 117.58 1t17 s ILE 110 Ca 0.03 -0.59 0.01 0.00 -0.99 0.00 0.00 60.65 59.12 1t17 s ILE 110 Cb -0.17 -1.27 0.02 0.00 2.95 0.00 0.00 42.46 43.99 1t17 s ILE 110 CO 0.03 0.42 -0.03 -1.83 -1.79 0.00 0.00 174.94 171.73 1t17 s GLU 111 N 0.91 0.52 0.18 0.37 -1.05 -0.26 0.12 118.70 119.49 1t17 s GLU 111 Ca -0.09 -0.06 -0.10 0.00 -0.15 0.00 0.00 54.97 54.57 1t17 s GLU 111 Cb -0.15 -0.58 -0.00 0.00 -0.44 0.00 0.00 34.13 32.96 1t17 s GLU 111 CO 0.00 -0.05 0.34 -0.59 0.95 0.00 0.00 175.26 175.92 1t17 s PHE 112 N 0.66 0.35 -0.14 4.83 -0.12 -1.23 -0.28 117.98 122.05 1t17 s PHE 112 Ca -0.08 -0.70 0.00 0.00 -0.05 0.00 0.00 56.93 56.10 1t17 s PHE 112 Cb -0.11 0.03 0.02 0.00 -0.63 0.00 0.00 43.02 42.33 1t17 s PHE 112 CO -0.01 -0.79 -0.12 0.00 -0.05 0.00 0.00 175.22 174.26 1t17 s ALA 113 N -3.97 1.67 0.51 1.99 0.00 -0.17 -4.16 121.76 117.63 1t17 s ALA 113 Ca 0.18 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1t17 s ALA 113 Cb 0.02 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 22.17 1t17 s ALA 113 CO 0.02 -0.41 0.70 -0.06 0.00 0.00 0.00 175.76 176.00 1t17 s PHE 114 N 1.57 2.39 -0.17 0.00 0.08 -1.26 -4.85 117.98 115.73 1t17 s PHE 114 Ca 0.05 -0.39 -0.20 0.00 0.12 0.00 0.00 56.93 56.51 1t17 s PHE 114 Cb -0.13 -2.46 -0.17 0.00 -0.57 0.00 0.00 43.02 39.69 1t17 s PHE 114 CO -0.10 -0.79 0.28 0.87 -0.10 0.00 0.00 175.22 175.38 1t17 h LYS 115 N 0.32 0.00 -5.67 0.44 6.56 -2.00 -3.45 116.57 112.78 1t17 h LYS 115 Ca -0.38 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 58.60 1t17 h LYS 115 Cb 1.28 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.83 1t17 h LYS 115 CO 0.45 0.78 0.30 -1.12 -2.06 0.00 0.00 179.45 177.80 1t17 s SER 116 N -6.44 6.57 0.54 0.86 0.01 -1.26 -4.91 113.70 109.08 1t17 s SER 116 Ca -0.22 0.50 0.26 0.00 1.31 0.00 0.00 55.95 57.80 1t17 s SER 116 Cb 0.03 -2.38 1.43 0.00 0.21 0.00 0.00 66.02 65.31 1t17 s SER 116 CO 0.52 -0.59 1.99 0.00 0.41 0.00 0.00 173.24 175.56 1t17 h ALA 117 N 8.23 2.45 0.16 1.44 0.00 -1.99 0.45 119.26 130.00 1t17 h ALA 117 Ca -0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1t17 h ALA 117 Cb 1.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1t17 h ALA 117 CO 0.86 -0.65 -0.08 -0.07 0.00 0.00 0.00 179.25 179.31 1t17 h LEU 118 N 0.00 -0.18 -1.90 0.00 -0.00 -1.99 -2.88 115.31 108.35 1t17 h LEU 118 Ca 0.25 -0.31 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 1t17 h LEU 118 Cb 1.02 0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1t17 h LEU 118 CO -0.00 0.25 -0.12 -0.07 -0.00 0.00 0.00 178.44 178.50 1t17 h LEU 119 N -0.65 0.00 -0.09 1.67 3.38 -1.48 0.14 115.31 118.28 1t17 h LEU 119 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1t17 h LEU 119 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1t17 h LEU 119 CO 0.04 0.12 -0.08 -0.78 0.09 0.00 0.00 178.44 177.83 1t17 h ASP 120 N 0.00 -0.23 0.34 -0.43 -0.00 0.02 1.13 116.42 117.25 1t17 h ASP 120 Ca -0.00 0.05 -0.26 0.00 -0.00 0.00 0.00 57.03 56.82 1t17 h ASP 120 Cb 0.29 0.12 0.01 0.00 -0.00 0.00 0.00 39.33 39.75 1t17 h ASP 120 CO 0.02 -0.10 -1.11 0.00 -0.00 0.00 0.00 179.24 178.04 1t17 h ALA 121 N 0.98 0.18 -0.23 -0.78 0.00 -1.24 0.25 119.26 118.42 1t17 h ALA 121 Ca 0.06 -0.77 0.01 0.00 0.00 0.00 0.00 54.91 54.21 1t17 h ALA 121 Cb 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1t17 h ALA 121 CO -0.14 0.81 0.14 1.98 0.00 0.00 0.00 179.25 182.04 1t17 h MET 122 N 0.21 0.27 -0.04 0.00 4.05 -0.35 0.65 114.93 119.73 1t17 h MET 122 Ca -0.13 -0.02 -0.20 0.00 -0.28 0.00 0.00 59.70 59.08 1t17 h MET 122 Cb 1.78 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 32.53 1t17 h MET 122 CO 0.20 0.18 -0.75 -0.07 0.23 0.00 0.00 176.91 176.70 1t17 h LEU 123 N 0.28 0.72 -1.49 3.39 3.38 0.12 -2.88 115.31 118.83 1t17 h LEU 123 Ca 0.09 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1t17 h LEU 123 Cb -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1t17 h LEU 123 CO -0.04 1.34 0.00 0.00 0.09 0.00 0.00 178.44 179.83 1t17 h ALA 124 N 0.40 1.00 0.07 1.53 0.00 -0.75 0.18 119.26 121.69 1t17 h ALA 124 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1t17 h ALA 124 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1t17 h ALA 124 CO 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 1t17 h ALA 125 N 2.08 -0.09 0.00 0.00 0.00 0.53 -3.28 119.26 118.50 1t17 h ALA 125 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 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 -0.40 -2.95 0.00 0.00 0.00 179.25 175.75 1t17 h ASN 126 N -0.90 0.00 -0.98 0.00 7.08 -1.30 -2.94 115.58 116.54 1t17 h ASN 126 Ca -0.01 0.00 0.34 0.00 -3.08 0.00 0.00 56.30 53.55 1t17 h ASN 126 Cb 0.60 0.00 -0.17 0.00 -2.08 0.00 0.00 38.32 36.67 1t17 h ASN 126 CO 0.02 0.40 0.37 1.62 -2.08 0.00 0.00 177.43 177.75 1t17 h VAL 127 N 0.00 0.09 -0.29 6.14 3.04 -0.71 1.68 116.25 126.21 1t17 h VAL 127 Ca -0.00 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.64 1t17 h VAL 127 Cb 0.75 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.02 1t17 h VAL 127 CO 0.05 0.01 0.11 -0.78 -1.01 0.00 0.00 177.57 175.96 1t17 h ASP 128 N 0.08 0.40 -0.17 3.17 3.58 -1.64 0.63 116.42 122.48 1t17 h ASP 128 Ca 0.72 -0.17 0.01 0.00 0.42 0.00 0.00 57.03 58.02 1t17 h ASP 128 Cb 1.73 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.66 1t17 h ASP 128 CO -0.77 0.46 0.08 0.03 -2.88 0.00 0.00 179.24 176.16 1t17 h ARG 129 N 0.32 0.17 -0.41 0.28 2.47 0.21 0.43 114.38 117.85 1t17 h ARG 129 Ca 0.10 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1t17 h ARG 129 Cb 0.18 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.43 1t17 h ARG 129 CO -0.01 0.11 0.20 0.00 0.56 0.00 0.00 179.97 180.83 1t17 h ALA 130 N 1.09 0.50 0.00 0.04 0.00 -0.12 0.35 119.26 121.13 1t17 h ALA 130 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1t17 h ALA 130 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1t17 h ALA 130 CO -0.06 -0.17 -0.19 0.00 0.00 0.00 0.00 179.25 178.84 1t17 h ALA 131 N 1.22 1.64 -0.10 0.00 0.00 -0.38 0.24 119.26 121.88 1t17 h ALA 131 Ca 0.18 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1t17 h ALA 131 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1t17 h ALA 131 CO -0.13 0.23 -0.26 0.78 0.00 0.00 0.00 179.25 179.88 1t17 h GLY 132 N 0.61 0.38 1.53 0.00 0.00 0.19 -0.80 103.07 104.99 1t17 h GLY 132 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 1t17 h GLY 132 CO 0.02 0.43 -0.36 0.07 0.00 0.00 0.00 176.54 176.71 1t17 h LYS 133 N -0.10 0.53 -0.52 4.80 5.09 -0.02 -1.42 116.57 124.93 1t17 h LYS 133 Ca -0.00 -0.24 -0.08 0.00 0.09 0.00 0.00 60.65 60.41 1t17 h LYS 133 Cb 0.87 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 33.17 1t17 h LYS 133 CO 0.06 0.81 0.03 1.25 -2.09 0.00 0.00 179.45 179.50 1t17 h LEU 134 N 0.44 0.88 -0.39 7.07 5.85 -0.52 0.21 115.31 128.85 1t17 h LEU 134 Ca 0.05 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1t17 h LEU 134 Cb 0.83 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1t17 h LEU 134 CO 0.07 0.95 0.17 0.40 -0.34 0.00 0.00 178.44 179.70 1t17 h ILE 135 N 0.77 1.18 -0.28 4.05 2.04 -0.89 -0.56 117.51 123.83 1t17 h ILE 135 Ca 0.15 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1t17 h ILE 135 Cb 0.49 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1t17 h ILE 135 CO 0.02 0.20 -0.10 0.00 0.00 0.00 0.00 178.15 178.27 1t17 h ALA 136 N 1.02 1.31 0.05 1.87 0.00 -1.03 -0.51 119.26 121.97 1t17 h ALA 136 Ca 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1t17 h ALA 136 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1t17 h ALA 136 CO -0.01 0.46 -0.03 0.00 0.00 0.00 0.00 179.25 179.67 1t17 h PHE 138 N -0.14 1.07 0.17 0.00 3.57 -0.74 -0.65 116.94 120.22 1t17 h PHE 138 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1t17 h PHE 138 Cb 0.12 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1t17 h PHE 138 CO -0.05 0.73 -0.08 1.49 -2.23 0.00 0.00 178.31 178.17 1t17 h GLU 139 N 1.11 -0.22 -0.92 1.11 4.22 -0.67 0.57 114.58 119.78 1t17 h GLU 139 Ca 0.28 0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.81 1t17 h GLU 139 Cb 0.00 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1t17 h GLU 139 CO -0.05 -0.03 0.60 0.00 -2.18 0.00 0.00 179.01 177.35 1t17 h ALA 140 N 0.43 1.52 -0.44 2.92 0.00 -0.45 0.34 119.26 123.57 1t17 h ALA 140 Ca -0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1t17 h ALA 140 Cb 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1t17 h ALA 140 CO 0.04 0.33 -0.04 0.00 0.00 0.00 0.00 179.25 179.58 1t17 h ARG 141 N 1.02 0.74 -0.48 0.00 3.08 -0.76 0.39 114.38 118.38 1t17 h ARG 141 Ca 0.40 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1t17 h ARG 141 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1t17 h ARG 141 CO -0.16 0.78 0.14 0.00 -1.07 0.00 0.00 179.97 179.66 1t17 h ALA 142 N 1.26 0.63 -0.05 0.04 0.00 0.11 0.21 119.26 121.46 1t17 h ALA 142 Ca 0.13 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1t17 h ALA 142 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1t17 h ALA 142 CO 0.02 0.29 -0.65 0.37 0.00 0.00 0.00 179.25 179.28 1t17 h GLN 143 N 0.64 0.22 -0.35 0.00 4.15 -0.83 -1.41 115.11 117.54 1t17 h GLN 143 Ca 0.15 -0.17 -0.14 0.00 0.77 0.00 0.00 58.65 59.27 1t17 h GLN 143 Cb 0.29 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1t17 h GLN 143 CO -0.00 0.80 -0.33 0.37 -1.93 0.00 0.00 178.83 177.74 1t17 h GLN 144 N 0.16 0.78 0.11 1.69 4.15 0.15 1.16 115.11 123.30 1t17 h GLN 144 Ca -0.01 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.03 1t17 h GLN 144 Cb 1.18 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1t17 h GLN 144 CO 0.10 0.99 -0.05 1.25 -1.93 0.00 0.00 178.83 179.19 1t17 h LEU 145 N 0.65 -0.12 -1.15 -2.39 6.46 -0.51 -2.98 115.31 115.28 1t17 h LEU 145 Ca 0.07 -0.40 -0.08 0.00 -0.12 0.00 0.00 57.88 57.34 1t17 h LEU 145 Cb 0.87 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1t17 h LEU 145 CO 0.08 0.38 -0.33 0.45 -0.62 0.00 0.00 178.44 178.39 1t17 h HIS 146 N -0.66 0.18 -0.02 1.25 3.86 -1.26 -3.12 115.15 115.39 1t17 h HIS 146 Ca -0.01 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1t17 h HIS 146 Cb 0.52 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 1t17 h HIS 146 CO 0.08 0.48 -0.42 0.78 0.86 0.00 0.00 177.93 179.72 1t17 h GLY 147 N 1.08 -0.76 0.63 2.45 0.00 0.14 -3.50 103.07 103.11 1t17 h GLY 147 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1t17 h GLY 147 CO 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.35