#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 0.18 -0.14 2.03 0.00 -1.26 -5.13 115.29 110.97 1t17 s HIS 2 Ca 0.00 -0.58 -0.01 0.00 -3.00 0.00 0.00 55.06 51.47 1t17 s HIS 2 Cb 0.00 -0.09 0.03 0.00 -4.00 0.00 0.00 32.58 28.52 1t17 s HIS 2 CO 0.00 -0.50 -0.06 0.50 -1.00 0.00 0.00 174.74 173.68 1t17 s ARG 3 N -3.60 1.44 -0.12 -0.38 3.52 -1.26 -3.86 118.95 114.68 1t17 s ARG 3 Ca 0.03 -0.37 -0.16 0.00 -0.13 0.00 0.00 55.73 55.10 1t17 s ARG 3 Cb 0.04 -1.78 -0.05 0.00 -1.56 0.00 0.00 34.95 31.60 1t17 s ARG 3 CO -0.09 -0.36 0.38 -1.01 -0.81 0.00 0.00 175.30 173.41 1t17 s HIS 4 N 1.68 3.53 0.02 5.12 3.76 0.76 -4.95 115.29 125.21 1t17 s HIS 4 Ca 0.03 0.78 0.02 0.00 -0.15 0.00 0.00 55.06 55.74 1t17 s HIS 4 Cb -0.14 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.10 1t17 s HIS 4 CO -0.08 0.28 -0.00 0.08 -0.85 0.00 0.00 174.74 174.17 1t17 s VAL 5 N 0.25 4.09 -0.07 -0.90 1.01 -1.26 -0.83 120.40 122.69 1t17 s VAL 5 Ca 0.21 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1t17 s VAL 5 Cb -0.14 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.42 1t17 s VAL 5 CO 0.08 0.32 0.09 -0.69 0.00 0.00 0.00 175.10 174.90 1t17 s VAL 6 N -1.13 -0.15 -0.15 2.92 1.01 -0.82 -5.00 120.40 117.07 1t17 s VAL 6 Ca 0.21 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1t17 s VAL 6 Cb -0.12 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1t17 s VAL 6 CO 0.12 0.09 -0.15 -0.89 0.00 0.00 0.00 175.10 174.27 1t17 s THR 7 N 2.20 1.61 0.29 3.92 2.01 -1.26 0.01 115.64 124.42 1t17 s THR 7 Ca 0.04 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.45 1t17 s THR 7 Cb -0.13 -1.50 -0.06 0.00 0.01 0.00 0.00 72.50 70.82 1t17 s THR 7 CO -0.05 0.46 -0.05 -1.59 -0.69 0.00 0.00 174.62 172.70 1t17 s LYS 8 N 1.47 1.58 -0.08 4.92 0.00 -0.26 -5.00 119.74 122.36 1t17 s LYS 8 Ca 0.05 -1.80 -0.01 0.00 0.00 0.00 0.00 55.97 54.21 1t17 s LYS 8 Cb -0.13 -1.18 0.03 0.00 0.00 0.00 0.00 37.83 36.55 1t17 s LYS 8 CO -0.11 0.03 -0.03 0.54 0.00 0.00 0.00 175.35 175.79 1t17 s VAL 9 N -3.00 0.58 -0.20 1.79 0.11 -1.26 -1.29 120.40 117.12 1t17 s VAL 9 Ca 0.30 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.35 1t17 s VAL 9 Cb 0.04 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1t17 s VAL 9 CO 0.12 0.29 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.26 1t17 s LEU 10 N 1.78 2.51 -1.20 2.54 1.43 -0.29 -4.96 118.68 120.48 1t17 s LEU 10 Ca 0.03 -0.88 -0.09 0.00 -1.03 0.00 0.00 54.13 52.16 1t17 s LEU 10 Cb -0.13 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.56 1t17 s LEU 10 CO -0.05 -0.07 2.41 -0.81 0.23 0.00 0.00 176.35 178.06 1t17 n PRO 11 N 4.58 2.68 -4.42 1.29 -0.04 -1.26 -1.53 135.00 136.30 1t17 n PRO 11 Ca -0.18 -1.85 -0.22 0.00 -0.04 0.00 0.00 63.50 61.21 1t17 n PRO 11 Cb 0.47 -2.68 -0.09 0.00 -0.04 0.00 0.00 33.50 31.16 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 3.08 1.72 0.85 0.54 2.02 -1.26 -4.86 117.35 119.44 1t17 s TYR 12 Ca 0.53 -1.29 -0.11 0.00 -0.37 0.00 0.00 57.07 55.82 1t17 s TYR 12 Cb 0.14 -1.02 0.11 0.00 -0.40 0.00 0.00 41.96 40.78 1t17 s TYR 12 CO -0.03 -0.38 1.15 0.95 -1.57 0.00 0.00 175.55 175.67 1t17 s THR 13 N -3.41 2.34 -0.35 -0.71 -4.23 -1.26 -4.34 115.64 103.67 1t17 s THR 13 Ca 0.31 0.12 0.27 0.00 -1.18 0.00 0.00 61.69 61.21 1t17 s THR 13 Cb 0.04 -2.33 0.33 0.00 1.34 0.00 0.00 72.50 71.88 1t17 s THR 13 CO 0.16 -0.13 1.78 1.55 -0.54 0.00 0.00 174.62 177.44 1t17 h PRO 14 N -1.43 0.00 -0.98 3.99 0.13 -1.97 -3.12 132.00 128.63 1t17 h PRO 14 Ca -0.44 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.81 1t17 h PRO 14 Cb 1.27 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 1t17 h PRO 14 CO 0.45 0.00 0.62 0.22 -0.23 0.00 0.00 178.00 179.06 1t17 h ASP 15 N 0.00 0.87 -0.42 1.44 -0.00 -2.03 0.33 116.42 116.62 1t17 h ASP 15 Ca 0.00 0.04 0.12 0.00 -0.00 0.00 0.00 57.03 57.19 1t17 h ASP 15 Cb 0.67 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.85 1t17 h ASP 15 CO 0.00 0.47 0.57 1.56 -0.00 0.00 0.00 179.24 181.84 1t17 h GLN 16 N 0.94 0.00 -0.14 0.28 7.50 -1.92 0.36 115.11 122.13 1t17 h GLN 16 Ca 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.62 1t17 h GLN 16 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 1t17 h GLN 16 CO -0.25 0.00 0.04 -0.07 -1.50 0.00 0.00 178.83 177.06 1t17 h LEU 17 N 0.00 0.20 -1.06 1.46 3.38 -0.57 -1.41 115.31 117.31 1t17 h LEU 17 Ca 0.20 -0.21 0.31 0.00 0.09 0.00 0.00 57.88 58.27 1t17 h LEU 17 Cb 1.33 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.89 1t17 h LEU 17 CO -0.00 0.36 0.60 0.15 0.09 0.00 0.00 178.44 179.64 1t17 h PHE 18 N 0.04 0.90 0.00 1.13 3.04 -0.37 1.45 116.94 123.14 1t17 h PHE 18 Ca 0.04 0.04 -0.18 0.00 3.98 0.00 0.00 57.97 61.85 1t17 h PHE 18 Cb 0.22 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 1t17 h PHE 18 CO -0.00 -0.11 -0.84 0.93 -2.02 0.00 0.00 178.31 176.27 1t17 h GLU 19 N 0.37 0.00 -0.14 1.11 5.08 -1.50 -2.89 114.58 116.60 1t17 h GLU 19 Ca 0.71 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.88 1t17 h GLU 19 Cb 1.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.88 1t17 h GLU 19 CO -0.54 0.84 -0.65 -0.07 -1.00 0.00 0.00 179.01 177.59 1t17 h LEU 20 N 0.00 0.82 -0.97 1.33 3.38 0.26 0.25 115.31 120.37 1t17 h LEU 20 Ca -0.01 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1t17 h LEU 20 Cb 1.58 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 1t17 h LEU 20 CO 0.11 1.31 0.60 0.58 0.09 0.00 0.00 178.44 181.14 1t17 h VAL 21 N 0.38 1.26 -0.58 1.22 2.07 0.11 -1.48 116.25 119.24 1t17 h VAL 21 Ca -0.04 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 1t17 h VAL 21 Cb 1.29 -0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1t17 h VAL 21 CO 0.14 0.26 0.10 0.61 0.02 0.00 0.00 177.57 178.70 1t17 n GLY 22 N -1.29 3.52 0.13 2.17 0.00 -1.09 -4.47 105.19 104.15 1t17 n GLY 22 Ca 0.11 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 0.06 0.40 0.15 1.61 2.03 0.85 0.22 116.55 121.86 1t17 n ASP 23 Ca 0.32 0.66 0.12 0.00 0.52 0.00 0.00 54.79 56.41 1t17 n ASP 23 Cb 1.22 -0.70 0.21 0.00 -0.72 0.00 0.00 41.12 41.13 1t17 n ASP 23 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1t17 h VAL 24 N 0.00 0.00 0.00 5.18 -1.51 -1.80 -3.05 116.25 115.07 1t17 h VAL 24 Ca 0.00 -0.79 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1t17 h VAL 24 Cb 0.11 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1t17 h VAL 24 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 177.57 175.67 1t17 n ASP 25 N -2.66 0.73 0.00 4.19 2.03 0.34 -4.33 116.55 116.85 1t17 n ASP 25 Ca 0.04 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.30 1t17 n ASP 25 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1t17 n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t17 n ALA 26 N -0.02 1.07 -0.77 -1.67 0.00 0.58 -5.07 120.51 114.62 1t17 n ALA 26 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1t17 n ALA 26 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.32 -0.98 -0.15 0.00 4.11 -1.15 -4.91 117.16 113.75 1t17 n TYR 27 Ca 0.00 0.54 0.00 0.00 -0.00 0.00 0.00 57.90 58.44 1t17 n TYR 27 Cb 0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 39.34 38.45 1t17 n TYR 27 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1t17 n PRO 28 N -3.26 0.70 -0.38 -3.48 -0.04 -1.26 -4.95 135.00 122.33 1t17 n PRO 28 Ca -0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1t17 n PRO 28 Cb 0.17 0.00 0.32 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.25 2.77 -3.62 0.54 2.85 -1.26 -4.78 118.16 114.41 1t17 n LYS 29 Ca 0.00 -2.67 -0.27 0.00 -1.05 0.00 0.00 58.31 54.31 1t17 n LYS 29 Cb 0.00 -1.58 -0.16 0.00 -0.65 0.00 0.00 35.03 32.64 1t17 n LYS 29 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1t17 s PHE 30 N -1.03 0.48 -0.39 5.58 5.36 -1.26 -5.06 117.98 121.66 1t17 s PHE 30 Ca 0.49 -0.68 0.03 0.00 -0.96 0.00 0.00 56.93 55.81 1t17 s PHE 30 Cb 0.26 -0.88 0.16 0.00 -0.34 0.00 0.00 43.02 42.21 1t17 s PHE 30 CO 0.33 -0.65 0.33 0.14 -1.46 0.00 0.00 175.22 173.91 1t17 s VAL 31 N 2.04 0.08 0.08 3.12 -7.23 -1.26 -4.98 120.40 112.26 1t17 s VAL 31 Ca 0.04 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 1t17 s VAL 31 Cb -0.16 -1.03 -0.21 0.00 0.56 0.00 0.00 36.38 35.54 1t17 s VAL 31 CO -0.18 -0.98 1.23 1.55 -0.31 0.00 0.00 175.10 176.41 1t17 h PRO 32 N 6.26 0.74 -0.09 4.82 0.13 -1.97 -2.94 132.00 138.95 1t17 h PRO 32 Ca 0.15 -0.72 0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1t17 h PRO 32 Cb 0.96 0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1t17 h PRO 32 CO 0.28 1.31 0.38 0.11 -0.23 0.00 0.00 178.00 179.85 1t17 h TRP 33 N 0.45 0.00 -4.09 1.56 0.09 -1.93 -3.39 115.95 108.64 1t17 h TRP 33 Ca -0.10 0.00 -0.32 0.00 0.09 0.00 0.00 58.89 58.56 1t17 h TRP 33 Cb 1.60 0.00 -0.07 0.00 0.08 0.00 0.00 29.16 30.77 1t17 h TRP 33 CO 0.10 0.00 -0.26 1.51 0.09 0.00 0.00 178.44 179.88 1t17 n ILE 34 N -3.06 0.00 0.00 0.12 3.06 -1.11 -4.78 119.36 113.59 1t17 n ILE 34 Ca 0.00 -1.33 0.00 0.00 -2.50 0.00 0.00 62.75 58.92 1t17 n ILE 34 Cb 0.45 0.46 0.00 0.00 0.54 0.00 0.00 39.64 41.09 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 -0.53 0.00 -3.76 9.51 5.66 -1.25 -4.54 114.28 119.37 1t17 n THR 35 Ca -0.04 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.65 1t17 n THR 35 Cb 0.34 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.08 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 -0.94 2.22 -0.02 1.09 0.00 -1.26 -4.95 107.32 103.45 1t17 s GLY 36 Ca 0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 44.72 43.90 1t17 s GLY 36 CO 0.00 -0.59 0.35 -0.29 0.00 0.00 0.00 173.10 172.57 1t17 s MET 37 N -2.56 0.72 -0.28 2.90 0.00 -1.25 -0.93 119.30 117.89 1t17 s MET 37 Ca 0.38 -0.15 -0.22 0.00 0.00 0.00 0.00 55.69 55.70 1t17 s MET 37 Cb -0.12 0.32 0.09 0.00 0.00 0.00 0.00 34.83 35.12 1t17 s MET 37 CO 0.25 -0.20 0.80 0.50 0.00 0.00 0.00 175.02 176.37 1t17 s ARG 38 N -1.35 0.70 -0.12 4.11 6.06 -0.63 -4.98 118.95 122.74 1t17 s ARG 38 Ca -0.13 0.95 -0.02 0.00 -2.50 0.00 0.00 55.73 54.03 1t17 s ARG 38 Cb -0.05 0.28 0.04 0.00 0.06 0.00 0.00 34.95 35.29 1t17 s ARG 38 CO 0.05 -0.10 0.02 0.95 -2.50 0.00 0.00 175.30 173.72 1t17 s THR 39 N 0.75 0.37 -0.33 4.11 -4.23 -1.26 -0.33 115.64 114.72 1t17 s THR 39 Ca -0.03 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1t17 s THR 39 Cb -0.05 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.10 1t17 s THR 39 CO -0.07 0.05 0.00 -2.67 -0.54 0.00 0.00 174.62 171.39 1t17 n TRP 40 N 5.13 0.00 -2.24 3.99 2.14 -0.96 -4.99 117.44 120.50 1t17 n TRP 40 Ca -0.08 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.48 1t17 n TRP 40 Cb 0.49 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.99 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 0.20 -5.55 0.00 -0.67 3.02 -1.26 -1.69 115.26 109.31 1t17 n ASN 41 Ca 0.00 0.67 0.00 0.00 -0.03 0.00 0.00 54.58 55.22 1t17 n ASN 41 Cb 0.00 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 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 0.15 1.16 3.19 7.41 0.00 -1.26 -2.14 105.19 113.70 1t17 n GLY 42 Ca 0.02 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 4.98 0.79 -0.11 1.61 1.70 0.95 -4.98 118.95 123.89 1t17 s ARG 43 Ca 0.00 -0.85 0.00 0.00 -0.47 0.00 0.00 55.73 54.41 1t17 s ARG 43 Cb 0.00 0.32 0.02 0.00 -0.57 0.00 0.00 34.95 34.72 1t17 s ARG 43 CO 0.00 -0.24 -0.09 0.54 -1.08 0.00 0.00 175.30 174.43 1t17 s VAL 44 N -3.42 1.06 -0.05 4.99 0.11 -1.26 -1.02 120.40 120.80 1t17 s VAL 44 Ca 0.02 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1t17 s VAL 44 Cb 0.03 -1.06 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1t17 s VAL 44 CO -0.09 0.37 -0.09 -0.62 -3.33 0.00 0.00 175.10 171.34 1t17 s ASP 45 N 1.54 1.42 0.51 3.54 3.68 -0.08 -5.01 116.67 122.26 1t17 s ASP 45 Ca 0.02 -0.23 0.00 0.00 2.13 0.00 0.00 52.55 54.47 1t17 s ASP 45 Cb -0.13 -0.61 0.00 0.00 -1.45 0.00 0.00 42.92 40.73 1t17 s ASP 45 CO -0.06 0.02 0.00 0.61 0.13 0.00 0.00 175.17 175.86 1t17 n GLY 46 N 3.77 2.72 2.04 2.66 0.00 -1.26 0.43 105.19 115.55 1t17 n GLY 46 Ca -0.23 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 8.10 5.41 -2.85 4.61 0.00 -1.26 -4.87 120.51 129.64 1t17 n ALA 47 Ca 0.00 -2.44 -0.13 0.00 0.00 0.00 0.00 53.44 50.87 1t17 n ALA 47 Cb 0.00 -1.49 -0.12 0.00 0.00 0.00 0.00 19.45 17.84 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 -3.18 0.50 -0.09 0.00 1.01 0.17 0.22 120.40 119.02 1t17 s VAL 48 Ca 0.46 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1t17 s VAL 48 Cb 0.37 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 36.25 1t17 s VAL 48 CO 0.03 -0.32 0.21 -0.44 0.00 0.00 0.00 175.10 174.58 1t17 s SER 49 N -1.37 -0.09 -0.10 3.32 0.01 0.49 -0.91 113.70 115.04 1t17 s SER 49 Ca -0.09 0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.64 1t17 s SER 49 Cb -0.09 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.51 1t17 s SER 49 CO 0.00 -0.17 -0.14 -0.89 0.41 0.00 0.00 173.24 172.45 1t17 s THR 50 N 1.41 1.40 0.28 1.44 2.01 -0.19 -0.16 115.64 121.83 1t17 s THR 50 Ca -0.08 -0.58 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 1t17 s THR 50 Cb -0.11 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.11 1t17 s THR 50 CO -0.08 0.42 0.52 0.68 -0.69 0.00 0.00 174.62 175.47 1t17 s VAL 51 N 1.04 0.00 0.11 3.82 -7.23 -0.58 -0.03 120.40 117.53 1t17 s VAL 51 Ca -0.06 -1.40 -0.26 0.00 -1.81 0.00 0.00 61.98 58.46 1t17 s VAL 51 Cb -0.15 -2.36 -0.07 0.00 0.56 0.00 0.00 36.38 34.36 1t17 s VAL 51 CO -0.02 0.00 0.79 -1.81 -0.31 0.00 0.00 175.10 173.75 1t17 s ASP 52 N -3.07 7.33 -0.31 4.85 1.01 -0.68 0.69 116.67 126.49 1t17 s ASP 52 Ca 0.23 1.58 -0.01 0.00 0.71 0.00 0.00 52.55 55.06 1t17 s ASP 52 Cb -0.01 -2.50 0.06 0.00 1.01 0.00 0.00 42.92 41.48 1t17 s ASP 52 CO 0.12 0.10 0.01 0.00 0.21 0.00 0.00 175.17 175.61 1t17 s ALA 53 N -0.58 2.83 -0.56 5.23 0.00 0.47 -2.27 121.76 126.87 1t17 s ALA 53 Ca 0.38 -1.87 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 1t17 s ALA 53 Cb -0.22 -1.95 0.09 0.00 0.00 0.00 0.00 23.12 21.04 1t17 s ALA 53 CO 0.25 -1.33 0.65 -2.00 0.00 0.00 0.00 175.76 173.33 1t17 s GLU 54 N 1.21 3.06 0.06 0.00 2.12 0.55 -0.92 118.70 124.79 1t17 s GLU 54 Ca -0.04 -1.22 0.03 0.00 0.36 0.00 0.00 54.97 54.10 1t17 s GLU 54 Cb -0.20 -4.21 -0.04 0.00 0.26 0.00 0.00 34.13 29.94 1t17 s GLU 54 CO -0.02 -1.41 0.07 0.00 -0.54 0.00 0.00 175.26 173.36 1t17 s ALA 55 N 2.55 3.54 0.50 6.30 0.00 -0.29 -1.61 121.76 132.75 1t17 s ALA 55 Ca 0.12 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1t17 s ALA 55 Cb -0.23 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 1t17 s ALA 55 CO 0.08 0.73 0.03 -0.65 0.00 0.00 0.00 175.76 175.95 1t17 s GLN 56 N -2.25 2.17 -0.04 0.00 -0.21 -0.10 -1.64 119.66 117.58 1t17 s GLN 56 Ca 0.28 -2.39 -0.00 0.00 0.02 0.00 0.00 55.36 53.27 1t17 s GLN 56 Cb -0.12 -1.34 0.03 0.00 1.00 0.00 0.00 33.01 32.57 1t17 s GLN 56 CO 0.20 -0.41 0.01 0.14 -2.12 0.00 0.00 175.29 173.11 1t17 s VAL 57 N -2.95 0.17 0.00 1.09 -7.23 -1.16 -3.97 120.40 106.36 1t17 s VAL 57 Ca 0.07 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 1t17 s VAL 57 Cb 0.01 -0.29 0.00 0.00 0.56 0.00 0.00 36.38 36.66 1t17 s VAL 57 CO 0.04 0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 1t17 n GLY 58 N 4.38 -0.28 1.75 2.32 0.00 -1.26 -4.23 105.19 107.87 1t17 n GLY 58 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.13 0.68 0.06 1.61 7.35 -1.26 -3.80 117.46 119.97 1t17 n PHE 59 Ca 0.00 -1.47 0.07 0.00 -0.76 0.00 0.00 57.45 55.29 1t17 n PHE 59 Cb 0.00 -0.82 0.14 0.00 0.35 0.00 0.00 39.48 39.15 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 1.11 2.79 -0.05 -2.13 7.64 -1.26 -4.94 113.62 116.78 1t17 n SER 60 Ca 0.18 -1.85 -0.01 0.00 1.01 0.00 0.00 58.87 58.20 1t17 n SER 60 Cb 0.57 -0.18 -0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.75 0.00 -3.45 1.43 7.35 -1.25 -4.87 117.46 117.42 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 0.42 -1.96 -0.12 0.00 0.35 0.00 0.00 39.48 38.18 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 -0.15 0.43 -0.84 -2.13 2.96 -1.26 -5.08 118.68 112.61 1t17 s LEU 62 Ca 0.00 -1.54 -0.25 0.00 -0.22 0.00 0.00 54.13 52.12 1t17 s LEU 62 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.64 1t17 s LEU 62 CO 0.00 -0.35 1.78 -0.60 -1.32 0.00 0.00 176.35 175.85 1t17 s ARG 63 N 1.68 2.82 0.09 1.98 3.00 -1.26 -4.69 118.95 122.58 1t17 s ARG 63 Ca 0.14 -0.21 -0.07 0.00 -1.00 0.00 0.00 55.73 54.59 1t17 s ARG 63 Cb -0.18 -4.87 -0.01 0.00 0.00 0.00 0.00 34.95 29.89 1t17 s ARG 63 CO -0.17 -2.90 0.15 -1.21 0.00 0.00 0.00 175.30 171.17 1t17 s GLU 64 N 6.54 0.85 0.09 5.12 2.02 -1.26 -5.06 118.70 126.99 1t17 s GLU 64 Ca 0.62 -1.07 0.08 0.00 0.02 0.00 0.00 54.97 54.62 1t17 s GLU 64 Cb -0.07 0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.44 1t17 s GLU 64 CO 0.04 -0.26 -0.21 -1.59 0.02 0.00 0.00 175.26 173.27 1t17 s LYS 65 N -3.90 1.20 0.14 1.61 -2.85 -1.26 -2.97 119.74 111.71 1t17 s LYS 65 Ca 0.08 -1.10 -0.07 0.00 -1.00 0.00 0.00 55.97 53.89 1t17 s LYS 65 Cb 0.05 -1.42 -0.02 0.00 -2.06 0.00 0.00 37.83 34.39 1t17 s LYS 65 CO -0.08 0.34 0.21 -0.06 0.10 0.00 0.00 175.35 175.86 1t17 s PHE 66 N -1.06 0.48 -0.01 1.78 0.08 -0.65 -4.98 117.98 113.62 1t17 s PHE 66 Ca 0.07 -0.86 -0.02 0.00 0.12 0.00 0.00 56.93 56.24 1t17 s PHE 66 Cb -0.10 -0.16 0.00 0.00 -0.57 0.00 0.00 43.02 42.19 1t17 s PHE 66 CO 0.04 -0.64 0.05 0.00 -0.10 0.00 0.00 175.22 174.56 1t17 s ALA 67 N -3.97 -0.11 0.02 5.36 0.00 -1.26 -1.13 121.76 120.67 1t17 s ALA 67 Ca 0.17 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 1t17 s ALA 67 Cb 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1t17 s ALA 67 CO -0.01 -0.07 0.22 0.95 0.00 0.00 0.00 175.76 176.85 1t17 s THR 68 N -0.41 0.09 -0.47 0.00 -4.23 -0.10 -3.21 115.64 107.31 1t17 s THR 68 Ca -0.05 -0.73 -0.28 0.00 -1.18 0.00 0.00 61.69 59.45 1t17 s THR 68 Cb -0.03 -0.74 0.01 0.00 1.34 0.00 0.00 72.50 73.08 1t17 s THR 68 CO 0.00 -0.40 1.42 -0.13 -0.54 0.00 0.00 174.62 174.97 1t17 s ARG 69 N -2.02 3.46 -0.14 3.99 0.52 0.10 0.18 118.95 125.04 1t17 s ARG 69 Ca -0.09 0.77 -0.17 0.00 -0.52 0.00 0.00 55.73 55.72 1t17 s ARG 69 Cb -0.03 -4.07 -0.04 0.00 0.52 0.00 0.00 34.95 31.33 1t17 s ARG 69 CO -0.01 -1.72 0.44 0.54 0.02 0.00 0.00 175.30 174.57 1t17 s VAL 70 N 5.74 5.21 -0.15 3.52 0.11 0.22 -1.36 120.40 133.68 1t17 s VAL 70 Ca 0.59 0.86 0.00 0.00 -2.93 0.00 0.00 61.98 60.50 1t17 s VAL 70 Cb -0.13 -3.78 -0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1t17 s VAL 70 CO 0.30 0.32 -0.15 -0.13 -3.33 0.00 0.00 175.10 172.11 1t17 s ARG 71 N 0.70 3.23 0.11 1.54 0.52 0.51 -1.53 118.95 124.03 1t17 s ARG 71 Ca 0.24 -0.74 0.09 0.00 -0.52 0.00 0.00 55.73 54.79 1t17 s ARG 71 Cb -0.15 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1t17 s ARG 71 CO 0.09 0.05 -0.23 -0.98 0.02 0.00 0.00 175.30 174.25 1t17 s ARG 72 N 0.74 1.24 -0.13 3.54 1.70 0.77 -0.66 118.95 126.14 1t17 s ARG 72 Ca -0.07 -1.23 -0.05 0.00 -0.47 0.00 0.00 55.73 53.92 1t17 s ARG 72 Cb -0.15 -1.58 0.06 0.00 -0.57 0.00 0.00 34.95 32.70 1t17 s ARG 72 CO 0.01 0.37 0.26 0.34 -1.08 0.00 0.00 175.30 175.20 1t17 s ASP 73 N -1.94 0.29 0.00 -2.89 3.68 -1.01 -0.38 116.67 114.42 1t17 s ASP 73 Ca 0.09 0.59 0.27 0.00 2.13 0.00 0.00 52.55 55.63 1t17 s ASP 73 Cb -0.10 0.67 0.89 0.00 -1.45 0.00 0.00 42.92 42.93 1t17 s ASP 73 CO 0.05 -0.23 1.66 2.29 0.13 0.00 0.00 175.17 179.07 1t17 n LYS 74 N 5.24 0.46 0.01 4.34 2.85 0.13 0.34 118.16 131.52 1t17 n LYS 74 Ca -0.08 -0.22 0.04 0.00 -1.05 0.00 0.00 58.31 57.00 1t17 n LYS 74 Cb 0.50 -1.50 -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 -1.08 0.41 -0.02 -5.58 4.64 -1.22 -4.29 116.55 109.41 1t17 n ASP 75 Ca 0.10 0.17 0.02 0.00 -1.38 0.00 0.00 54.79 53.71 1t17 n ASP 75 Cb 0.32 0.97 -0.09 0.00 -1.04 0.00 0.00 41.12 41.28 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1t17 n ALA 76 N -2.38 2.18 -3.34 -1.67 0.00 -1.22 -5.01 120.51 109.07 1t17 n ALA 76 Ca -0.11 -0.46 -0.19 0.00 0.00 0.00 0.00 53.44 52.69 1t17 n ALA 76 Cb 0.76 -0.26 0.06 0.00 0.00 0.00 0.00 19.45 20.02 1t17 n ALA 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1t17 n ARG 77 N -2.11 -6.19 -4.21 0.00 0.63 0.15 -5.01 116.66 99.93 1t17 n ARG 77 Ca -0.08 0.65 -0.13 0.00 -0.92 0.00 0.00 57.85 57.37 1t17 n ARG 77 Cb 0.52 -5.15 -0.10 0.00 0.45 0.00 0.00 32.46 28.17 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1t17 s SER 78 N -3.23 1.54 0.00 6.15 1.04 -1.15 -4.25 113.70 113.80 1t17 s SER 78 Ca 0.45 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 55.96 1t17 s SER 78 Cb -0.20 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 1t17 s SER 78 CO 0.56 -0.34 -0.07 -0.63 0.98 0.00 0.00 173.24 173.74 1t17 s ILE 79 N -3.10 0.55 -0.00 -1.02 -1.09 -0.70 -2.40 121.20 113.44 1t17 s ILE 79 Ca 0.12 -0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 58.08 1t17 s ILE 79 Cb 0.01 -0.49 -0.00 0.00 -1.58 0.00 0.00 42.46 40.40 1t17 s ILE 79 CO -0.01 0.06 0.04 -0.62 -1.23 0.00 0.00 174.94 173.18 1t17 s ASP 80 N -0.42 0.06 -0.02 3.58 2.15 0.16 -0.88 116.67 121.30 1t17 s ASP 80 Ca 0.01 -0.16 0.01 0.00 0.43 0.00 0.00 52.55 52.84 1t17 s ASP 80 Cb -0.04 0.13 0.01 0.00 -0.30 0.00 0.00 42.92 42.72 1t17 s ASP 80 CO -0.00 -0.18 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.08 1t17 s VAL 81 N -0.75 0.45 0.23 1.11 1.01 0.37 0.19 120.40 123.02 1t17 s VAL 81 Ca -0.08 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1t17 s VAL 81 Cb -0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1t17 s VAL 81 CO -0.00 0.17 -0.03 -0.44 0.00 0.00 0.00 175.10 174.81 1t17 s SER 82 N 0.47 2.05 0.46 3.32 0.01 -0.47 -1.28 113.70 118.26 1t17 s SER 82 Ca -0.06 -1.19 -0.25 0.00 1.31 0.00 0.00 55.95 55.76 1t17 s SER 82 Cb -0.09 -0.04 -0.08 0.00 0.21 0.00 0.00 66.02 66.02 1t17 s SER 82 CO -0.00 -0.45 1.43 -0.76 0.41 0.00 0.00 173.24 173.86 1t17 s LEU 83 N -3.33 4.09 0.12 2.44 1.02 -1.22 0.02 118.68 121.83 1t17 s LEU 83 Ca 0.27 2.92 0.00 0.00 0.02 0.00 0.00 54.13 57.35 1t17 s LEU 83 Cb 0.05 -3.96 0.00 0.00 0.02 0.00 0.00 46.19 42.30 1t17 s LEU 83 CO 0.09 -1.22 0.00 -0.11 0.02 0.00 0.00 176.35 175.13 1t17 n LEU 84 N -0.26 0.95 0.00 1.79 -0.00 -1.20 -4.44 117.00 113.84 1t17 n LEU 84 Ca 0.05 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 1t17 n LEU 84 Cb 0.42 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1t17 n LEU 84 CO 0.59 -0.75 -0.15 0.00 -0.00 0.00 0.00 177.39 177.07 1t17 n TYR 85 N -3.49 0.00 -0.59 1.96 9.36 -1.23 -5.03 117.16 118.14 1t17 n TYR 85 Ca 0.00 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.98 1t17 n TYR 85 Cb 0.01 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.68 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1t17 n GLY 86 N 1.46 0.04 2.72 2.98 0.00 -1.24 -4.64 105.19 106.51 1t17 n GLY 86 Ca 0.00 0.37 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 1t17 n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t17 n PRO 87 N 1.69 2.44 -2.87 1.61 -0.04 -1.26 -4.81 135.00 131.75 1t17 n PRO 87 Ca 0.13 -2.00 -0.09 0.00 -0.04 0.00 0.00 63.50 61.49 1t17 n PRO 87 Cb -0.02 -2.86 -0.03 0.00 -0.04 0.00 0.00 33.50 30.55 1t17 n PRO 87 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1t17 n PHE 88 N 5.48 0.08 0.00 0.54 3.72 -1.26 -5.11 117.46 120.90 1t17 n PHE 88 Ca 0.55 -0.94 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 1t17 n PHE 88 Cb 0.29 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1t17 n PHE 88 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1t17 n LYS 89 N -0.34 0.00 -4.14 -1.08 0.00 -1.26 -5.01 118.16 106.33 1t17 n LYS 89 Ca -0.03 0.22 -0.15 0.00 0.00 0.00 0.00 58.31 58.35 1t17 n LYS 89 Cb 0.22 -0.66 -0.13 0.00 0.00 0.00 0.00 35.03 34.46 1t17 n LYS 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1t17 s ARG 90 N -0.66 0.48 -0.30 1.64 3.52 -1.26 -5.05 118.95 117.31 1t17 s ARG 90 Ca 0.00 -0.38 -0.07 0.00 -0.13 0.00 0.00 55.73 55.14 1t17 s ARG 90 Cb 0.00 -0.40 0.18 0.00 -1.56 0.00 0.00 34.95 33.17 1t17 s ARG 90 CO 0.00 0.10 0.79 -1.17 -0.81 0.00 0.00 175.30 174.21 1t17 s LEU 91 N -0.60 -0.99 0.08 -0.88 0.20 -1.26 -0.64 118.68 114.59 1t17 s LEU 91 Ca -0.02 0.78 0.06 0.00 0.69 0.00 0.00 54.13 55.64 1t17 s LEU 91 Cb -0.05 1.89 -0.03 0.00 -0.43 0.00 0.00 46.19 47.58 1t17 s LEU 91 CO 0.00 -0.19 -0.15 0.20 -0.29 0.00 0.00 176.35 175.92 1t17 s ASN 92 N 2.84 1.83 0.08 3.68 0.01 0.17 -3.37 114.94 120.18 1t17 s ASN 92 Ca 0.08 -0.63 -0.12 0.00 -0.71 0.00 0.00 52.86 51.48 1t17 s ASN 92 Cb -0.12 -0.06 0.01 0.00 0.41 0.00 0.00 41.25 41.49 1t17 s ASN 92 CO -0.17 -0.06 0.27 0.20 -1.51 0.00 0.00 177.10 175.84 1t17 s ASN 93 N -1.79 -0.04 -0.21 -1.22 0.01 -0.40 0.07 114.94 111.36 1t17 s ASN 93 Ca -0.00 -0.42 -0.29 0.00 -0.71 0.00 0.00 52.86 51.44 1t17 s ASN 93 Cb -0.10 0.38 0.14 0.00 0.41 0.00 0.00 41.25 42.08 1t17 s ASN 93 CO 0.03 -0.72 1.08 -0.83 -1.51 0.00 0.00 177.10 175.15 1t17 s GLY 94 N -2.58 -0.16 -0.27 0.66 0.00 -1.03 0.14 107.32 104.08 1t17 s GLY 94 Ca 0.01 2.36 0.02 0.00 0.00 0.00 0.00 44.72 47.11 1t17 s GLY 94 CO -0.09 1.26 -0.08 -0.98 0.00 0.00 0.00 173.10 173.22 1t17 s TRP 95 N -0.75 3.26 0.01 1.90 0.52 -0.06 -1.35 118.94 122.47 1t17 s TRP 95 Ca 0.01 -2.18 0.00 0.00 0.02 0.00 0.00 56.10 53.95 1t17 s TRP 95 Cb -0.02 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 1t17 s TRP 95 CO -0.02 -0.86 0.09 1.03 0.02 0.00 0.00 176.95 177.21 1t17 s ARG 96 N 1.15 3.05 -0.06 4.98 1.81 0.11 -1.71 118.95 128.29 1t17 s ARG 96 Ca -0.08 -0.51 -0.00 0.00 -1.72 0.00 0.00 55.73 53.42 1t17 s ARG 96 Cb -0.20 -2.85 0.03 0.00 -0.45 0.00 0.00 34.95 31.48 1t17 s ARG 96 CO -0.04 0.63 -0.01 -0.06 -0.68 0.00 0.00 175.30 175.14 1t17 s PHE 97 N -1.23 0.64 -0.10 -0.53 0.08 -1.26 -0.13 117.98 115.44 1t17 s PHE 97 Ca 0.24 -0.15 -0.03 0.00 0.12 0.00 0.00 56.93 57.11 1t17 s PHE 97 Cb -0.12 -0.69 0.04 0.00 -0.57 0.00 0.00 43.02 41.68 1t17 s PHE 97 CO 0.16 -0.25 0.05 1.41 -0.10 0.00 0.00 175.22 176.49 1t17 s MET 98 N 1.45 0.22 0.56 0.44 1.75 0.40 -4.99 119.30 119.13 1t17 s MET 98 Ca -0.03 0.10 -0.17 0.00 -1.25 0.00 0.00 55.69 54.35 1t17 s MET 98 Cb -0.13 -1.14 -0.05 0.00 2.84 0.00 0.00 34.83 36.35 1t17 s MET 98 CO -0.03 -0.44 1.05 -1.25 -0.65 0.00 0.00 175.02 173.70 1t17 s PRO 99 N 2.08 3.51 -0.46 4.11 0.04 -1.26 0.57 135.00 143.58 1t17 s PRO 99 Ca 0.04 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.36 1t17 s PRO 99 Cb -0.14 -2.06 0.24 0.00 0.04 0.00 0.00 34.50 32.58 1t17 s PRO 99 CO -0.06 -0.66 0.75 0.39 0.04 0.00 0.00 177.00 177.47 1t17 n GLU 100 N -1.71 0.73 0.00 4.56 1.02 -0.84 -4.77 120.64 119.64 1t17 n GLU 100 Ca 0.09 -2.25 0.00 0.00 -0.02 0.00 0.00 57.16 54.98 1t17 n GLU 100 Cb 0.53 -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 1.67 0.70 0.19 0.62 0.00 -1.26 -4.22 105.19 102.89 1t17 n GLY 101 Ca 0.14 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 0.04 0.00 -1.65 1.61 3.04 -1.99 -3.43 116.42 114.03 1t17 h ASP 102 Ca 0.00 0.00 -0.43 0.00 -3.24 0.00 0.00 57.03 53.36 1t17 h ASP 102 Cb 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.30 1t17 h ASP 102 CO 0.00 0.37 -0.29 0.00 -2.04 0.00 0.00 179.24 177.28 1t17 s ALA 103 N -4.04 4.37 0.07 4.15 0.00 -1.26 -4.35 121.76 120.70 1t17 s ALA 103 Ca -0.02 -1.55 0.08 0.00 0.00 0.00 0.00 51.96 50.46 1t17 s ALA 103 Cb 0.14 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1t17 s ALA 103 CO 0.71 -0.18 -0.21 -0.08 0.00 0.00 0.00 175.76 176.00 1t17 s THR 104 N -2.28 1.74 -0.15 0.00 -1.32 -0.58 -1.98 115.64 111.07 1t17 s THR 104 Ca 0.50 -1.39 -0.03 0.00 -1.21 0.00 0.00 61.69 59.56 1t17 s THR 104 Cb -0.10 -1.54 -0.02 0.00 -1.51 0.00 0.00 72.50 69.33 1t17 s THR 104 CO 0.32 0.09 -0.06 -0.60 -2.21 0.00 0.00 174.62 172.16 1t17 s ARG 105 N -1.55 3.61 -0.04 7.08 3.52 0.19 -1.14 118.95 130.61 1t17 s ARG 105 Ca 0.08 -0.55 0.07 0.00 -0.13 0.00 0.00 55.73 55.19 1t17 s ARG 105 Cb -0.09 -2.86 -0.02 0.00 -1.56 0.00 0.00 34.95 30.42 1t17 s ARG 105 CO 0.03 0.23 -0.25 0.08 -0.81 0.00 0.00 175.30 174.58 1t17 s VAL 106 N 0.39 2.12 -0.11 7.11 1.01 -0.41 0.15 120.40 130.65 1t17 s VAL 106 Ca -0.05 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1t17 s VAL 106 Cb -0.15 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1t17 s VAL 106 CO 0.03 0.58 -0.13 -1.61 0.00 0.00 0.00 175.10 173.97 1t17 s GLU 107 N -0.40 2.02 -0.24 2.72 2.02 0.81 -1.10 118.70 124.52 1t17 s GLU 107 Ca 0.04 -0.47 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 1t17 s GLU 107 Cb -0.12 -1.81 -0.00 0.00 0.10 0.00 0.00 34.13 32.30 1t17 s GLU 107 CO 0.01 -0.14 -0.02 0.12 0.02 0.00 0.00 175.26 175.26 1t17 s PHE 108 N 1.22 3.01 -0.21 1.61 5.36 0.10 0.07 117.98 129.15 1t17 s PHE 108 Ca -0.02 -1.01 -0.15 0.00 -0.96 0.00 0.00 56.93 54.78 1t17 s PHE 108 Cb -0.14 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.37 1t17 s PHE 108 CO -0.04 -0.57 0.38 0.14 -1.46 0.00 0.00 175.22 173.66 1t17 s VAL 109 N 1.47 5.21 -0.18 3.12 -7.23 -0.46 -1.95 120.40 120.39 1t17 s VAL 109 Ca 0.04 0.66 0.01 0.00 -1.81 0.00 0.00 61.98 60.88 1t17 s VAL 109 Cb -0.15 -3.71 0.01 0.00 0.56 0.00 0.00 36.38 33.09 1t17 s VAL 109 CO -0.02 0.26 -0.18 0.27 -0.31 0.00 0.00 175.10 175.11 1t17 s ILE 110 N 1.30 2.25 -0.06 -0.62 -5.25 -0.01 -2.47 121.20 116.34 1t17 s ILE 110 Ca 0.18 -0.88 -0.01 0.00 -0.99 0.00 0.00 60.65 58.95 1t17 s ILE 110 Cb -0.15 -1.95 0.03 0.00 2.95 0.00 0.00 42.46 43.34 1t17 s ILE 110 CO 0.08 0.53 0.01 -1.61 -1.79 0.00 0.00 174.94 172.15 1t17 s GLU 111 N 1.23 0.45 0.16 0.37 2.02 0.11 -0.17 118.70 122.86 1t17 s GLU 111 Ca 0.03 0.14 -0.14 0.00 0.02 0.00 0.00 54.97 55.02 1t17 s GLU 111 Cb -0.14 -0.80 0.02 0.00 0.10 0.00 0.00 34.13 33.31 1t17 s GLU 111 CO -0.10 -0.26 0.39 -0.59 0.02 0.00 0.00 175.26 174.72 1t17 s PHE 112 N 1.77 0.05 -0.13 1.61 -0.12 -1.25 0.45 117.98 120.36 1t17 s PHE 112 Ca 0.01 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 1t17 s PHE 112 Cb -0.13 0.18 0.02 0.00 -0.63 0.00 0.00 43.02 42.47 1t17 s PHE 112 CO -0.04 -0.77 -0.12 0.00 -0.05 0.00 0.00 175.22 174.25 1t17 s ALA 113 N -3.88 1.60 0.54 1.99 0.00 0.19 -4.20 121.76 118.00 1t17 s ALA 113 Ca 0.10 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.38 1t17 s ALA 113 Cb 0.02 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.24 1t17 s ALA 113 CO -0.05 -0.34 0.74 -0.06 0.00 0.00 0.00 175.76 176.06 1t17 s PHE 114 N 1.48 2.39 -0.16 0.00 0.08 -1.26 -4.66 117.98 115.84 1t17 s PHE 114 Ca 0.03 -0.31 -0.19 0.00 0.12 0.00 0.00 56.93 56.58 1t17 s PHE 114 Cb -0.13 -2.57 -0.23 0.00 -0.57 0.00 0.00 43.02 39.52 1t17 s PHE 114 CO -0.08 -0.90 0.38 0.87 -0.10 0.00 0.00 175.22 175.39 1t17 h LYS 115 N 0.19 0.09 -5.36 0.44 6.56 -2.00 -3.45 116.57 113.03 1t17 h LYS 115 Ca -0.38 -0.16 -0.62 0.00 -1.06 0.00 0.00 60.65 58.43 1t17 h LYS 115 Cb 1.29 0.06 -0.13 0.00 -0.57 0.00 0.00 32.23 32.87 1t17 h LYS 115 CO 0.46 1.07 0.02 -1.12 -2.06 0.00 0.00 179.45 177.82 1t17 s SER 116 N -6.85 6.42 0.55 0.86 0.01 -1.26 -4.92 113.70 108.52 1t17 s SER 116 Ca -0.25 0.38 0.24 0.00 1.31 0.00 0.00 55.95 57.63 1t17 s SER 116 Cb 0.05 -2.29 1.47 0.00 0.21 0.00 0.00 66.02 65.45 1t17 s SER 116 CO 0.67 -0.37 2.09 0.00 0.41 0.00 0.00 173.24 176.03 1t17 h ALA 117 N 8.15 2.07 0.08 1.44 0.00 -1.99 0.44 119.26 129.46 1t17 h ALA 117 Ca -0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1t17 h ALA 117 Cb 1.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1t17 h ALA 117 CO 0.75 -0.31 -0.04 -0.07 0.00 0.00 0.00 179.25 179.58 1t17 h LEU 118 N 0.00 -0.09 -1.77 0.00 -0.00 -2.00 -2.90 115.31 108.56 1t17 h LEU 118 Ca 0.11 -0.42 -0.03 0.00 -0.00 0.00 0.00 57.88 57.54 1t17 h LEU 118 Cb 0.49 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1t17 h LEU 118 CO -0.00 0.40 -0.15 -0.07 -0.00 0.00 0.00 178.44 178.62 1t17 h LEU 119 N -0.61 0.00 0.09 1.67 3.38 -1.63 0.52 115.31 118.73 1t17 h LEU 119 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1t17 h LEU 119 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1t17 h LEU 119 CO 0.02 0.15 -0.10 -0.78 0.09 0.00 0.00 178.44 177.82 1t17 h ASP 120 N 0.00 -0.26 0.24 -0.43 -0.00 -0.00 1.20 116.42 117.18 1t17 h ASP 120 Ca -0.00 0.03 -0.23 0.00 -0.00 0.00 0.00 57.03 56.83 1t17 h ASP 120 Cb 0.40 0.10 0.01 0.00 -0.00 0.00 0.00 39.33 39.83 1t17 h ASP 120 CO 0.02 -0.15 -0.93 0.00 -0.00 0.00 0.00 179.24 178.18 1t17 h ALA 121 N 0.69 0.35 -0.13 -0.78 0.00 -1.28 0.21 119.26 118.31 1t17 h ALA 121 Ca 0.01 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1t17 h ALA 121 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1t17 h ALA 121 CO -0.04 0.78 0.07 1.98 0.00 0.00 0.00 179.25 182.05 1t17 h MET 122 N 0.28 0.17 -0.04 0.00 4.05 -0.58 0.88 114.93 119.70 1t17 h MET 122 Ca -0.08 -0.02 -0.14 0.00 -0.28 0.00 0.00 59.70 59.18 1t17 h MET 122 Cb 1.56 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 32.33 1t17 h MET 122 CO 0.17 0.17 -0.54 -0.07 0.23 0.00 0.00 176.91 176.87 1t17 h LEU 123 N 0.13 0.54 -0.45 3.39 3.38 0.14 -2.56 115.31 119.88 1t17 h LEU 123 Ca 0.05 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1t17 h LEU 123 Cb 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1t17 h LEU 123 CO -0.01 1.17 0.00 0.00 0.09 0.00 0.00 178.44 179.70 1t17 n ALA 124 N -2.57 1.49 -0.07 1.53 0.00 0.72 -0.05 120.51 121.57 1t17 n ALA 124 Ca -0.09 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1t17 n ALA 124 Cb 0.63 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 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 2.28 0.04 0.00 0.00 0.00 0.10 -3.33 119.26 118.35 1t17 h ALA 125 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1t17 h ALA 125 Cb 0.22 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1t17 h ALA 125 CO 0.00 0.16 -0.04 -2.95 0.00 0.00 0.00 179.25 176.41 1t17 h ASN 126 N -1.00 0.00 -0.94 0.00 7.08 -1.16 -3.11 115.58 116.45 1t17 h ASN 126 Ca -0.06 0.00 0.28 0.00 -3.08 0.00 0.00 56.30 53.45 1t17 h ASN 126 Cb 0.72 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 36.80 1t17 h ASN 126 CO -0.03 0.04 0.26 1.62 -2.08 0.00 0.00 177.43 177.24 1t17 h VAL 127 N 0.00 0.18 -0.56 6.14 3.04 -0.57 1.59 116.25 126.07 1t17 h VAL 127 Ca -0.00 -0.04 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 1t17 h VAL 127 Cb 0.63 0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.92 1t17 h VAL 127 CO 0.01 0.02 0.28 -0.78 -1.01 0.00 0.00 177.57 176.09 1t17 h ASP 128 N 0.13 0.73 0.24 3.17 1.82 -1.73 0.88 116.42 121.66 1t17 h ASP 128 Ca 0.63 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 57.14 1t17 h ASP 128 Cb 1.38 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1t17 h ASP 128 CO -0.74 0.64 -0.11 0.03 -1.61 0.00 0.00 179.24 177.44 1t17 h ARG 129 N 0.76 -0.31 -0.93 0.28 2.47 0.19 0.27 114.38 117.10 1t17 h ARG 129 Ca 0.19 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 59.03 1t17 h ARG 129 Cb 0.10 0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 28.42 1t17 h ARG 129 CO -0.03 -0.14 0.57 0.00 0.56 0.00 0.00 179.97 180.93 1t17 h ALA 130 N 0.34 1.36 -0.17 0.04 0.00 0.00 0.26 119.26 121.09 1t17 h ALA 130 Ca -0.03 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1t17 h ALA 130 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1t17 h ALA 130 CO 0.05 0.23 -0.27 0.00 0.00 0.00 0.00 179.25 179.26 1t17 h ALA 131 N 1.49 1.23 -0.30 0.00 0.00 -0.43 0.44 119.26 121.68 1t17 h ALA 131 Ca 0.44 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1t17 h ALA 131 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1t17 h ALA 131 CO -0.24 0.51 -0.03 0.78 0.00 0.00 0.00 179.25 180.27 1t17 h GLY 132 N 1.01 0.60 1.18 0.00 0.00 0.28 0.13 103.07 106.28 1t17 h GLY 132 Ca 0.04 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 1t17 h GLY 132 CO 0.05 0.43 -0.30 0.07 0.00 0.00 0.00 176.54 176.78 1t17 h LYS 133 N 0.34 0.91 -0.66 4.80 2.10 -0.69 0.04 116.57 123.41 1t17 h LYS 133 Ca 0.08 -0.43 -0.04 0.00 -2.00 0.00 0.00 60.65 58.26 1t17 h LYS 133 Cb 0.50 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.79 1t17 h LYS 133 CO 0.02 1.09 0.25 1.37 -2.00 0.00 0.00 179.45 180.18 1t17 h LEU 134 N 0.77 0.93 -0.65 7.07 8.10 -0.79 0.27 115.31 131.01 1t17 h LEU 134 Ca 0.08 -0.18 -0.11 0.00 0.11 0.00 0.00 57.88 57.78 1t17 h LEU 134 Cb 0.87 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 40.83 1t17 h LEU 134 CO 0.08 0.86 -0.11 0.40 -4.11 0.00 0.00 178.44 175.56 1t17 h ILE 135 N 0.94 1.27 -0.21 0.15 2.04 -0.54 -1.27 117.51 119.89 1t17 h ILE 135 Ca 0.22 -1.24 -0.09 0.00 1.00 0.00 0.00 64.86 64.75 1t17 h ILE 135 Cb 0.23 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1t17 h ILE 135 CO -0.02 0.43 -0.25 0.00 0.00 0.00 0.00 178.15 178.31 1t17 h ALA 136 N 1.02 1.18 0.09 1.87 0.00 -0.45 0.24 119.26 123.21 1t17 h ALA 136 Ca 0.13 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1t17 h ALA 136 Cb 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1t17 h ALA 136 CO 0.05 0.53 -0.05 0.00 0.00 0.00 0.00 179.25 179.78 1t17 h PHE 138 N -0.37 0.97 -0.14 0.00 3.57 -1.02 -0.91 116.94 119.03 1t17 h PHE 138 Ca -0.01 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1t17 h PHE 138 Cb 0.31 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1t17 h PHE 138 CO 0.01 0.76 0.08 1.49 -2.23 0.00 0.00 178.31 178.41 1t17 h GLU 139 N 0.91 0.20 -0.81 1.11 4.22 -0.42 0.81 114.58 120.60 1t17 h GLU 139 Ca 0.22 -0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.68 1t17 h GLU 139 Cb 0.18 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 1t17 h GLU 139 CO -0.02 0.23 0.50 0.00 -2.18 0.00 0.00 179.01 177.54 1t17 h ALA 140 N 0.96 1.10 -0.37 2.92 0.00 -0.32 -0.09 119.26 123.46 1t17 h ALA 140 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1t17 h ALA 140 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1t17 h ALA 140 CO -0.01 0.26 -0.02 0.00 0.00 0.00 0.00 179.25 179.48 1t17 h ARG 141 N 0.93 0.60 -0.50 0.00 2.47 -0.73 0.42 114.38 117.56 1t17 h ARG 141 Ca 0.35 -0.15 -0.06 0.00 -1.26 0.00 0.00 59.98 58.86 1t17 h ARG 141 Cb 0.12 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1t17 h ARG 141 CO -0.16 0.64 0.10 0.00 0.56 0.00 0.00 179.97 181.11 1t17 h ALA 142 N 1.41 0.67 -0.04 0.04 0.00 0.84 0.12 119.26 122.30 1t17 h ALA 142 Ca 0.12 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1t17 h ALA 142 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1t17 h ALA 142 CO 0.02 0.39 -0.73 0.37 0.00 0.00 0.00 179.25 179.30 1t17 h GLN 143 N 0.71 0.23 -0.20 0.00 4.15 -0.62 -0.73 115.11 118.65 1t17 h GLN 143 Ca 0.15 -0.20 -0.11 0.00 0.77 0.00 0.00 58.65 59.26 1t17 h GLN 143 Cb 0.38 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1t17 h GLN 143 CO 0.01 0.86 -0.37 0.37 -1.93 0.00 0.00 178.83 177.77 1t17 h GLN 144 N 0.15 0.43 0.10 1.69 4.15 0.14 0.96 115.11 122.75 1t17 h GLN 144 Ca -0.02 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1t17 h GLN 144 Cb 1.29 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1t17 h GLN 144 CO 0.11 0.74 -0.05 1.25 -1.93 0.00 0.00 178.83 178.95 1t17 h LEU 145 N 0.36 -0.12 -1.73 -2.39 5.85 -0.66 -3.11 115.31 113.51 1t17 h LEU 145 Ca 0.04 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1t17 h LEU 145 Cb 0.82 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1t17 h LEU 145 CO 0.07 0.50 -0.16 0.45 -0.34 0.00 0.00 178.44 178.96 1t17 h HIS 146 N -0.97 0.00 0.37 1.25 3.86 -1.16 -2.91 115.15 115.60 1t17 h HIS 146 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1t17 h HIS 146 Cb 0.45 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1t17 h HIS 146 CO 0.09 0.16 -0.37 0.78 0.86 0.00 0.00 177.93 179.45 1t17 h GLY 147 N 0.56 -0.88 0.00 2.45 0.00 0.92 -3.50 103.07 102.62 1t17 h GLY 147 Ca -0.00 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1t17 h GLY 147 CO 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 176.54 176.25