#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aaj s LEU 2 N 0.00 2.28 -0.28 0.00 0.20 0.25 -4.08 118.68 117.05 2aaj s LEU 2 Ca 0.00 -0.72 -0.08 0.00 0.69 0.00 0.00 54.13 54.02 2aaj s LEU 2 Cb 0.00 -1.49 -0.01 0.00 -0.43 0.00 0.00 46.19 44.26 2aaj s LEU 2 CO 0.00 -0.02 0.09 -0.76 -0.29 0.00 0.00 176.35 175.37 2aaj s LEU 3 N 1.27 3.70 -0.29 -0.68 1.43 -0.14 -0.47 118.68 123.50 2aaj s LEU 3 Ca 0.04 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 2aaj s LEU 3 Cb -0.14 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 2aaj s LEU 3 CO -0.12 -0.12 0.11 -0.54 0.23 0.00 0.00 176.35 175.90 2aaj s LYS 4 N 1.57 3.26 -0.20 1.70 1.02 -0.00 -1.48 119.74 125.61 2aaj s LYS 4 Ca 0.05 -0.75 -0.12 0.00 0.02 0.00 0.00 55.97 55.16 2aaj s LYS 4 Cb -0.16 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 2aaj s LYS 4 CO 0.03 -0.40 0.23 -0.06 -0.92 0.00 0.00 175.35 174.23 2aaj s PHE 5 N 1.56 3.40 -0.16 3.18 0.40 0.14 -0.47 117.98 126.02 2aaj s PHE 5 Ca 0.04 0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 56.79 2aaj s PHE 5 Cb -0.17 -2.30 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 2aaj s PHE 5 CO 0.04 0.17 -0.11 -0.51 0.70 0.00 0.00 175.22 175.52 2aaj s ASP 6 N 0.67 4.09 0.11 1.36 1.01 0.16 -0.69 116.67 123.37 2aaj s ASP 6 Ca 0.12 -0.35 -0.06 0.00 0.71 0.00 0.00 52.55 52.97 2aaj s ASP 6 Cb -0.13 -1.65 -0.02 0.00 1.01 0.00 0.00 42.92 42.14 2aaj s ASP 6 CO 0.03 0.11 0.16 -1.48 0.21 0.00 0.00 175.17 174.20 2aaj s LEU 7 N 0.70 1.52 0.27 1.23 2.34 -0.61 -0.83 118.68 123.29 2aaj s LEU 7 Ca -0.05 -0.86 -0.08 0.00 0.06 0.00 0.00 54.13 53.20 2aaj s LEU 7 Cb -0.15 0.83 -0.06 0.00 -0.56 0.00 0.00 46.19 46.24 2aaj s LEU 7 CO 0.02 -0.76 0.56 -0.36 -1.06 0.00 0.00 176.35 174.76 2aaj s PHE 8 N -3.93 3.45 0.47 3.48 0.08 -1.26 -0.85 117.98 119.41 2aaj s PHE 8 Ca 0.12 0.78 -0.25 0.00 0.12 0.00 0.00 56.93 57.70 2aaj s PHE 8 Cb 0.05 -2.20 -0.08 0.00 -0.57 0.00 0.00 43.02 40.22 2aaj s PHE 8 CO -0.06 0.20 1.43 0.71 -0.10 0.00 0.00 175.22 177.40 2aaj s TYR 9 N -1.97 2.41 0.00 0.36 2.02 0.29 -4.47 117.35 115.99 2aaj s TYR 9 Ca 0.46 1.27 0.00 0.00 -0.37 0.00 0.00 57.07 58.43 2aaj s TYR 9 Cb -0.11 -3.92 0.00 0.00 -0.40 0.00 0.00 41.96 37.53 2aaj s TYR 9 CO 0.26 -3.00 0.00 0.41 -1.57 0.00 0.00 175.55 171.65 2aaj n GLY 10 N 0.60 1.73 3.79 0.71 0.00 -1.26 -5.02 105.19 105.74 2aaj n GLY 10 Ca 0.06 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2aaj n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aaj s ARG 11 N 0.00 3.63 0.82 1.61 0.52 -1.26 -5.06 118.95 119.21 2aaj s ARG 11 Ca 0.00 1.49 -0.12 0.00 -0.52 0.00 0.00 55.73 56.58 2aaj s ARG 11 Cb 0.00 -2.09 0.08 0.00 0.52 0.00 0.00 34.95 33.46 2aaj s ARG 11 CO 0.00 -0.59 1.18 0.95 0.02 0.00 0.00 175.30 176.86 2aaj s THR 12 N -1.86 2.00 0.33 0.02 -4.23 -1.26 -4.91 115.64 105.74 2aaj s THR 12 Ca 0.69 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.29 2aaj s THR 12 Cb -0.20 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.71 2aaj s THR 12 CO 0.24 0.00 1.77 0.44 -0.54 0.00 0.00 174.62 176.53 2aaj h ASP 13 N -1.09 0.13 -0.55 3.99 5.19 -1.99 -2.13 116.42 119.98 2aaj h ASP 13 Ca -0.46 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 55.89 2aaj h ASP 13 Cb 1.33 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 2aaj h ASP 13 CO 0.65 0.50 0.29 0.00 -3.12 0.00 0.00 179.24 177.57 2aaj h ALA 14 N 1.51 0.71 -1.00 3.45 0.00 -1.99 -0.51 119.26 121.43 2aaj h ALA 14 Ca 0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2aaj h ALA 14 Cb 0.72 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2aaj h ALA 14 CO 0.05 0.24 0.66 1.96 0.00 0.00 0.00 179.25 182.16 2aaj h GLN 15 N 0.74 1.23 -0.63 0.00 4.20 -1.84 -1.41 115.11 117.41 2aaj h GLN 15 Ca 0.19 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2aaj h GLN 15 Cb 0.06 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 2aaj h GLN 15 CO -0.03 0.82 0.40 0.82 -0.67 0.00 0.00 178.83 180.16 2aaj h ILE 16 N 1.27 1.17 -0.52 2.54 2.04 -0.87 -2.32 117.51 120.82 2aaj h ILE 16 Ca 0.40 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 2aaj h ILE 16 Cb -0.01 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 2aaj h ILE 16 CO -0.12 0.17 0.10 0.50 0.00 0.00 0.00 178.15 178.80 2aaj h LYS 17 N 0.85 0.85 -0.22 2.37 3.64 -0.49 -0.54 116.57 123.04 2aaj h LYS 17 Ca 0.23 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2aaj h LYS 17 Cb -0.06 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2aaj h LYS 17 CO -0.05 0.83 0.04 0.77 -2.27 0.00 0.00 179.45 178.78 2aaj h SER 18 N 0.74 0.00 -0.31 4.20 0.02 -1.15 0.11 113.55 117.16 2aaj h SER 18 Ca 0.16 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 2aaj h SER 18 Cb 0.38 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.91 2aaj h SER 18 CO 0.01 0.03 -0.06 0.25 -1.14 0.00 0.00 176.83 175.92 2aaj h LEU 19 N 0.13 -0.26 -0.65 5.07 6.46 -1.16 0.20 115.31 125.10 2aaj h LEU 19 Ca 0.10 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 2aaj h LEU 19 Cb 0.10 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 2aaj h LEU 19 CO -0.14 -0.09 0.18 -0.07 -0.62 0.00 0.00 178.44 177.70 2aaj h LEU 20 N 0.02 0.97 0.04 2.25 3.38 -0.60 -1.77 115.31 119.60 2aaj h LEU 20 Ca 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2aaj h LEU 20 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2aaj h LEU 20 CO -0.31 0.93 -0.02 0.44 0.09 0.00 0.00 178.44 179.57 2aaj h ASP 21 N 0.95 -0.05 -0.45 -0.43 3.32 -0.50 -0.24 116.42 119.02 2aaj h ASP 21 Ca 0.21 -0.24 0.09 0.00 0.02 0.00 0.00 57.03 57.10 2aaj h ASP 21 Cb 0.33 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.82 2aaj h ASP 21 CO -0.00 0.21 -0.03 0.00 -1.72 0.00 0.00 179.24 177.70 2aaj h ALA 22 N 0.62 0.39 -0.55 3.45 0.00 -0.52 -0.78 119.26 121.87 2aaj h ALA 22 Ca -0.01 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2aaj h ALA 22 Cb 0.29 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2aaj h ALA 22 CO 0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 179.25 178.76 2aaj h ALA 23 N 1.42 0.76 -0.29 0.00 0.00 -1.28 -2.31 119.26 117.56 2aaj h ALA 23 Ca 0.23 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2aaj h ALA 23 Cb 0.34 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2aaj h ALA 23 CO -0.41 0.67 -0.12 1.25 0.00 0.00 0.00 179.25 180.64 2aaj h HIS 24 N 0.92 -0.29 -0.49 0.00 6.17 -0.51 -1.49 115.15 119.46 2aaj h HIS 24 Ca 0.15 0.03 0.09 0.00 0.71 0.00 0.00 60.37 61.35 2aaj h HIS 24 Cb 0.66 0.17 -0.07 0.00 2.52 0.00 0.00 27.41 30.69 2aaj h HIS 24 CO 0.05 -0.19 0.05 0.78 0.71 0.00 0.00 177.93 179.33 2aaj h GLY 25 N -0.08 0.56 1.44 5.26 0.00 -0.83 0.35 103.07 109.77 2aaj h GLY 25 Ca 0.15 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 2aaj h GLY 25 CO -0.34 -0.10 -0.17 0.00 0.00 0.00 0.00 176.54 175.93 2aaj h ALA 26 N 1.41 1.04 0.14 3.60 0.00 -1.10 -1.20 119.26 123.16 2aaj h ALA 26 Ca 0.25 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2aaj h ALA 26 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2aaj h ALA 26 CO -0.37 0.58 -0.07 1.98 0.00 0.00 0.00 179.25 181.38 2aaj h MET 27 N 0.59 -0.18 -0.40 0.00 -1.53 -0.76 -0.71 114.93 111.94 2aaj h MET 27 Ca 0.09 0.01 0.08 0.00 -3.44 0.00 0.00 59.70 56.45 2aaj h MET 27 Cb 0.62 0.04 -0.08 0.00 -0.55 0.00 0.00 31.60 31.63 2aaj h MET 27 CO 0.04 0.22 -0.12 0.28 0.14 0.00 0.00 176.91 177.48 2aaj h VAL 28 N -0.65 0.57 -0.34 -5.77 2.07 -0.71 -1.03 116.25 110.40 2aaj h VAL 28 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2aaj h VAL 28 Cb 0.49 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2aaj h VAL 28 CO 0.03 0.00 0.04 0.44 0.02 0.00 0.00 177.57 178.10 2aaj h ASP 29 N -0.02 0.55 -0.04 0.57 3.32 -1.28 0.62 116.42 120.13 2aaj h ASP 29 Ca 0.19 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 2aaj h ASP 29 Cb 0.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2aaj h ASP 29 CO -0.42 0.68 -0.28 0.00 -1.72 0.00 0.00 179.24 177.50 2aaj h ALA 30 N 0.89 1.07 -0.01 3.45 0.00 -0.75 -3.30 119.26 120.62 2aaj h ALA 30 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2aaj h ALA 30 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2aaj h ALA 30 CO 0.01 0.57 -0.31 1.19 0.00 0.00 0.00 179.25 180.70 2aaj n PHE 31 N -4.11 0.00 -3.60 0.00 3.72 -0.42 -4.81 117.46 108.24 2aaj n PHE 31 Ca -0.01 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 2aaj n PHE 31 Cb 0.42 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.02 2aaj n PHE 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aaj n GLY 32 N 1.06 -0.33 3.83 1.37 0.00 0.20 -5.01 105.19 106.31 2aaj n GLY 32 Ca 0.05 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2aaj n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aaj s VAL 33 N -3.53 4.22 0.51 1.61 -7.23 -1.18 -5.08 120.40 109.71 2aaj s VAL 33 Ca 0.03 -1.40 -0.22 0.00 -1.81 0.00 0.00 61.98 58.58 2aaj s VAL 33 Cb -0.02 -3.35 -0.06 0.00 0.56 0.00 0.00 36.38 33.52 2aaj s VAL 33 CO 0.78 -0.31 1.28 -2.84 -0.31 0.00 0.00 175.10 173.70 2aaj s PRO 34 N -3.88 3.42 0.64 4.82 0.02 -1.26 -4.83 135.00 133.94 2aaj s PRO 34 Ca 0.35 2.05 0.37 0.00 0.02 0.00 0.00 61.00 63.78 2aaj s PRO 34 Cb -0.07 -2.34 2.03 0.00 0.02 0.00 0.00 34.50 34.14 2aaj s PRO 34 CO 0.25 -0.91 2.21 0.00 -0.33 0.00 0.00 177.00 178.22 2aaj h ALA 35 N 1.74 1.30 -0.57 -1.55 0.00 -1.99 -0.77 119.26 117.43 2aaj h ALA 35 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2aaj h ALA 35 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2aaj h ALA 35 CO 0.59 -0.13 0.00 0.27 0.00 0.00 0.00 179.25 179.97 2aaj n ASN 36 N -3.28 3.67 -3.80 0.00 0.23 -1.26 -4.50 115.26 106.31 2aaj n ASN 36 Ca -0.02 -2.21 -0.42 0.00 -0.53 0.00 0.00 54.58 51.40 2aaj n ASN 36 Cb 0.19 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 2aaj n ASN 36 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2aaj n ASP 37 N 1.05 4.88 -3.98 0.53 2.03 -0.30 -4.91 116.55 115.85 2aaj n ASP 37 Ca 0.21 -3.03 -0.31 0.00 0.52 0.00 0.00 54.79 52.18 2aaj n ASP 37 Cb 0.65 -1.53 -0.15 0.00 -0.72 0.00 0.00 41.12 39.37 2aaj n ASP 37 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2aaj s ARG 38 N 1.14 1.76 -0.22 -0.67 3.52 -1.26 -4.65 118.95 118.57 2aaj s ARG 38 Ca 0.42 -1.25 -0.03 0.00 -0.13 0.00 0.00 55.73 54.75 2aaj s ARG 38 Cb 0.11 -2.75 0.07 0.00 -1.56 0.00 0.00 34.95 30.83 2aaj s ARG 38 CO -0.03 -0.66 0.07 0.71 -0.81 0.00 0.00 175.30 174.59 2aaj s TYR 39 N 1.24 0.80 -0.00 5.12 2.02 -1.26 -5.12 117.35 120.14 2aaj s TYR 39 Ca -0.04 -0.84 -0.01 0.00 -0.37 0.00 0.00 57.07 55.82 2aaj s TYR 39 Cb -0.19 -1.01 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 2aaj s TYR 39 CO -0.07 -0.65 0.02 -0.65 -1.57 0.00 0.00 175.55 172.62 2aaj s GLN 40 N 1.93 0.05 0.13 -0.62 -0.21 -1.26 -0.96 119.66 118.72 2aaj s GLN 40 Ca 0.03 -0.03 0.05 0.00 0.02 0.00 0.00 55.36 55.42 2aaj s GLN 40 Cb -0.17 0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.82 2aaj s GLN 40 CO -0.15 -0.01 -0.12 0.95 -2.12 0.00 0.00 175.29 173.85 2aaj s THR 41 N -0.13 1.18 -0.03 -0.19 -4.23 -0.55 -4.99 115.64 106.70 2aaj s THR 41 Ca -0.01 -1.83 -0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2aaj s THR 41 Cb -0.01 -1.61 0.03 0.00 1.34 0.00 0.00 72.50 72.25 2aaj s THR 41 CO -0.00 -0.58 0.02 -0.69 -0.54 0.00 0.00 174.62 172.83 2aaj s VAL 42 N -2.67 0.06 -0.11 2.29 1.01 -1.26 -0.69 120.40 119.04 2aaj s VAL 42 Ca 0.11 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.31 2aaj s VAL 42 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 2aaj s VAL 42 CO 0.01 0.14 -0.19 -0.44 0.00 0.00 0.00 175.10 174.62 2aaj s SER 43 N 1.34 3.49 -0.15 3.32 0.01 0.13 -4.98 113.70 116.85 2aaj s SER 43 Ca -0.06 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.67 2aaj s SER 43 Cb -0.13 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 2aaj s SER 43 CO -0.03 0.17 0.15 -1.10 0.41 0.00 0.00 173.24 172.84 2aaj s GLN 44 N 0.28 3.77 0.13 12.44 -0.21 -1.26 -1.57 119.66 133.24 2aaj s GLN 44 Ca -0.14 -0.15 0.10 0.00 0.02 0.00 0.00 55.36 55.19 2aaj s GLN 44 Cb -0.17 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.51 2aaj s GLN 44 CO 0.07 0.57 -0.21 -1.01 -2.12 0.00 0.00 175.29 172.59 2aaj s HIS 45 N -0.43 2.44 0.75 0.91 3.76 -0.03 -4.83 115.29 117.86 2aaj s HIS 45 Ca 0.12 -0.31 -0.10 0.00 -0.15 0.00 0.00 55.06 54.62 2aaj s HIS 45 Cb -0.12 -1.30 0.06 0.00 1.11 0.00 0.00 32.58 32.33 2aaj s HIS 45 CO 0.02 0.38 1.11 1.03 -0.85 0.00 0.00 174.74 176.42 2aaj s ARG 46 N -2.14 2.28 0.36 1.40 0.52 -1.26 -0.55 118.95 119.56 2aaj s ARG 46 Ca 0.17 0.10 0.09 0.00 -0.52 0.00 0.00 55.73 55.57 2aaj s ARG 46 Cb -0.10 -2.03 0.83 0.00 0.52 0.00 0.00 34.95 34.17 2aaj s ARG 46 CO 0.09 -1.34 1.89 -1.35 0.02 0.00 0.00 175.30 174.61 2aaj h PRO 47 N -0.81 0.65 -1.00 3.54 0.11 -1.96 0.25 132.00 132.78 2aaj h PRO 47 Ca -0.45 -0.04 0.38 0.00 0.11 0.00 0.00 66.00 66.00 2aaj h PRO 47 Cb 1.31 -0.15 -0.17 0.00 0.11 0.00 0.00 31.00 32.10 2aaj h PRO 47 CO 0.64 0.43 0.52 0.78 -0.21 0.00 0.00 178.00 180.16 2aaj h GLY 48 N 0.67 2.15 -2.09 -0.55 0.00 -2.06 -3.35 103.07 97.85 2aaj h GLY 48 Ca 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2aaj h GLY 48 CO -0.18 -0.69 0.00 1.18 0.00 0.00 0.00 176.54 176.85 2aaj n GLU 49 N -5.20 2.69 -3.83 4.80 1.02 0.88 -4.76 120.64 116.23 2aaj n GLU 49 Ca 0.35 -2.36 -0.12 0.00 -0.02 0.00 0.00 57.16 55.01 2aaj n GLU 49 Cb 1.16 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 31.01 2aaj n GLU 49 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2aaj s MET 50 N -1.05 0.22 -0.12 3.49 -1.94 -1.26 -4.94 119.30 113.70 2aaj s MET 50 Ca 0.38 0.10 -0.00 0.00 -1.71 0.00 0.00 55.69 54.45 2aaj s MET 50 Cb 0.20 0.10 0.02 0.00 2.01 0.00 0.00 34.83 37.16 2aaj s MET 50 CO 0.26 -0.03 -0.09 0.08 -0.01 0.00 0.00 175.02 175.23 2aaj s VAL 51 N -0.16 1.14 -0.24 -6.03 1.01 -1.26 -4.98 120.40 109.88 2aaj s VAL 51 Ca -0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2aaj s VAL 51 Cb -0.02 -1.14 0.08 0.00 0.00 0.00 0.00 36.38 35.30 2aaj s VAL 51 CO 0.00 0.38 0.05 -0.76 0.00 0.00 0.00 175.10 174.78 2aaj s LEU 52 N 1.66 1.56 0.00 3.92 1.43 -1.26 -5.13 118.68 120.86 2aaj s LEU 52 Ca 0.05 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 2aaj s LEU 52 Cb -0.13 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.39 2aaj s LEU 52 CO -0.09 -0.34 0.00 -0.62 0.23 0.00 0.00 176.35 175.53 2aaj n GLU 53 N 4.98 3.63 -0.07 1.70 1.02 -1.26 -5.01 120.64 125.63 2aaj n GLU 53 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2aaj n GLU 53 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 2aaj n GLU 53 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2aaj n ASP 54 N 0.00 0.09 -3.97 1.62 5.75 -1.26 -5.00 116.55 113.77 2aaj n ASP 54 Ca 0.00 -1.19 -0.32 0.00 -0.01 0.00 0.00 54.79 53.27 2aaj n ASP 54 Cb 0.00 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.04 2aaj n ASP 54 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2aaj n THR 55 N -0.03 -0.97 -1.00 2.12 -1.04 -1.26 -2.02 114.28 110.08 2aaj n THR 55 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2aaj n THR 55 Cb 0.52 -1.66 -0.00 0.00 -1.82 0.00 0.00 70.33 67.37 2aaj n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2aaj n GLY 56 N -1.31 0.38 0.00 3.41 0.00 -1.26 -4.90 105.19 101.53 2aaj n GLY 56 Ca 0.06 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.20 2aaj n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aaj n LEU 57 N -0.02 0.01 -1.00 0.99 4.32 -0.86 -4.96 117.00 115.49 2aaj n LEU 57 Ca -0.00 0.39 -0.07 0.00 -0.02 0.00 0.00 56.01 56.31 2aaj n LEU 57 Cb 0.13 -0.40 0.01 0.00 -1.62 0.00 0.00 43.42 41.54 2aaj n LEU 57 CO 0.00 0.00 -0.03 0.61 -1.22 0.00 0.00 177.39 176.76 2aaj n GLY 58 N 1.40 0.23 3.77 -0.72 0.00 -1.26 -5.05 105.19 103.55 2aaj n GLY 58 Ca 0.10 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 2aaj n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aaj s TYR 59 N -2.60 3.59 0.00 1.61 2.02 -1.26 -5.04 117.35 115.67 2aaj s TYR 59 Ca 0.06 0.87 0.00 0.00 -0.37 0.00 0.00 57.07 57.64 2aaj s TYR 59 Cb -0.03 -2.41 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 2aaj s TYR 59 CO 0.08 0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.83 2aaj n GLY 60 N 2.74 0.60 3.75 0.71 0.00 -1.26 -4.79 105.19 106.93 2aaj n GLY 60 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2aaj n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aaj s ARG 61 N -0.72 4.39 0.33 1.61 0.52 -1.26 -4.56 118.95 119.26 2aaj s ARG 61 Ca 0.00 0.85 0.01 0.00 -0.52 0.00 0.00 55.73 56.07 2aaj s ARG 61 Cb 0.00 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 32.11 2aaj s ARG 61 CO 0.00 0.30 0.06 -1.13 0.02 0.00 0.00 175.30 174.55 2aaj n SER 62 N 2.89 2.72 0.00 0.23 3.41 -1.26 -5.01 113.62 116.60 2aaj n SER 62 Ca -0.05 -2.38 0.09 0.00 -0.26 0.00 0.00 58.87 56.28 2aaj n SER 62 Cb 0.51 0.17 0.43 0.00 -0.26 0.00 0.00 64.21 65.06 2aaj n SER 62 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2aaj n SER 63 N -1.36 0.00 0.00 4.04 3.41 -1.26 -1.91 113.62 116.54 2aaj n SER 63 Ca -0.11 0.34 0.15 0.00 -0.26 0.00 0.00 58.87 58.99 2aaj n SER 63 Cb 0.41 -0.43 0.86 0.00 -0.26 0.00 0.00 64.21 64.79 2aaj n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aaj n ALA 64 N -1.43 2.58 -1.57 7.33 0.00 -1.26 -4.39 120.51 121.77 2aaj n ALA 64 Ca 0.06 -0.18 -0.50 0.00 0.00 0.00 0.00 53.44 52.82 2aaj n ALA 64 Cb 0.20 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 2aaj n ALA 64 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2aaj n VAL 65 N -1.02 0.64 -4.08 0.00 3.14 -0.80 -4.94 118.33 111.26 2aaj n VAL 65 Ca 0.21 -0.16 -0.33 0.00 -2.96 0.00 0.00 64.34 61.10 2aaj n VAL 65 Cb 0.11 -0.77 -0.16 0.00 -1.06 0.00 0.00 33.84 31.97 2aaj n VAL 65 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2aaj s VAL 66 N -0.02 2.29 -0.22 1.55 1.01 0.12 -4.31 120.40 120.81 2aaj s VAL 66 Ca 0.77 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 2aaj s VAL 66 Cb -0.90 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 2aaj s VAL 66 CO 0.51 0.44 0.13 -0.22 0.00 0.00 0.00 175.10 175.96 2aaj s LEU 67 N 1.29 4.03 -0.14 3.92 2.96 -0.01 -1.27 118.68 129.46 2aaj s LEU 67 Ca 0.03 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2aaj s LEU 67 Cb -0.14 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.49 2aaj s LEU 67 CO -0.10 0.10 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.61 2aaj s LEU 68 N 0.82 2.25 -0.15 -0.68 2.96 0.14 -0.67 118.68 123.35 2aaj s LEU 68 Ca 0.07 -0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2aaj s LEU 68 Cb -0.13 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2aaj s LEU 68 CO 0.02 0.10 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.23 2aaj s THR 69 N 0.73 3.97 -0.14 3.68 2.01 0.37 -1.32 115.64 124.95 2aaj s THR 69 Ca -0.08 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.61 2aaj s THR 69 Cb -0.16 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.62 2aaj s THR 69 CO 0.00 0.50 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.53 2aaj s VAL 70 N 0.30 2.20 -0.20 3.82 1.01 -0.57 -0.82 120.40 126.13 2aaj s VAL 70 Ca -0.03 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2aaj s VAL 70 Cb -0.14 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2aaj s VAL 70 CO 0.03 0.54 0.06 -0.63 0.00 0.00 0.00 175.10 175.10 2aaj s ILE 71 N 0.73 4.58 -0.05 2.22 1.01 0.37 -0.03 121.20 130.04 2aaj s ILE 71 Ca -0.09 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 2aaj s ILE 71 Cb -0.16 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.24 2aaj s ILE 71 CO 0.00 0.42 0.26 -0.55 0.00 0.00 0.00 174.94 175.06 2aaj s SER 72 N 0.81 -0.18 1.04 3.58 0.15 -0.19 -0.58 113.70 118.32 2aaj s SER 72 Ca 0.03 0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.79 2aaj s SER 72 Cb -0.14 0.40 0.21 0.00 -1.71 0.00 0.00 66.02 64.78 2aaj s SER 72 CO 0.02 -0.28 1.08 -1.14 1.20 0.00 0.00 173.24 174.12 2aaj n ARG 73 N 2.03 -1.36 -1.92 5.44 0.63 -1.26 -0.82 116.66 119.39 2aaj n ARG 73 Ca -0.18 -0.35 -0.38 0.00 -0.92 0.00 0.00 57.85 56.03 2aaj n ARG 73 Cb 0.57 -2.28 0.03 0.00 0.45 0.00 0.00 32.46 31.23 2aaj n ARG 73 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2aaj s PRO 74 N -4.52 3.19 0.02 -0.14 0.02 -1.24 -4.75 135.00 127.59 2aaj s PRO 74 Ca 0.68 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.75 2aaj s PRO 74 Cb -0.24 -2.20 -0.02 0.00 0.02 0.00 0.00 34.50 32.06 2aaj s PRO 74 CO 0.61 -1.09 -0.03 1.03 -0.33 0.00 0.00 177.00 177.19 2aaj s ARG 75 N -2.97 0.25 0.70 5.54 1.81 -1.26 -5.13 118.95 117.90 2aaj s ARG 75 Ca 0.72 -0.47 -0.15 0.00 -1.72 0.00 0.00 55.73 54.11 2aaj s ARG 75 Cb -0.36 0.05 0.02 0.00 -0.45 0.00 0.00 34.95 34.21 2aaj s ARG 75 CO 0.42 -0.03 1.16 -1.54 -0.68 0.00 0.00 175.30 174.63 2aaj s SER 76 N -1.09 4.56 0.45 0.23 1.04 -1.26 -4.88 113.70 112.75 2aaj s SER 76 Ca -0.11 2.20 0.12 0.00 0.48 0.00 0.00 55.95 58.64 2aaj s SER 76 Cb -0.07 -2.57 1.04 0.00 0.10 0.00 0.00 66.02 64.51 2aaj s SER 76 CO -0.01 -2.01 2.07 -0.08 0.98 0.00 0.00 173.24 174.20 2aaj h GLU 77 N -0.17 0.33 -0.80 4.02 4.81 -2.01 -1.50 114.58 119.25 2aaj h GLU 77 Ca -0.47 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2aaj h GLU 77 Cb 1.27 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 2aaj h GLU 77 CO 0.51 0.22 0.53 0.77 -0.73 0.00 0.00 179.01 180.31 2aaj h SER 78 N 0.34 0.92 -0.52 1.04 0.02 -2.00 -2.26 113.55 111.10 2aaj h SER 78 Ca 0.13 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2aaj h SER 78 Cb 0.09 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2aaj h SER 78 CO -0.03 0.67 0.06 1.56 -1.14 0.00 0.00 176.83 177.95 2aaj h GLN 79 N 1.09 0.93 0.13 3.45 4.20 -1.60 -1.81 115.11 121.51 2aaj h GLN 79 Ca 0.29 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2aaj h GLN 79 Cb -0.12 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.55 2aaj h GLN 79 CO -0.06 0.89 -0.06 0.87 -0.67 0.00 0.00 178.83 179.79 2aaj h LYS 80 N 0.87 -0.17 -0.69 1.46 1.57 -1.39 0.44 116.57 118.66 2aaj h LYS 80 Ca 0.17 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.10 2aaj h LYS 80 Cb 0.44 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 32.65 2aaj h LYS 80 CO 0.02 0.23 -0.21 0.28 -0.57 0.00 0.00 179.45 179.20 2aaj h VAL 81 N -0.63 0.26 -0.19 0.50 2.07 -1.43 -0.52 116.25 116.30 2aaj h VAL 81 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2aaj h VAL 81 Cb 0.48 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2aaj h VAL 81 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2aaj h PHE 83 N 0.06 -0.35 -0.72 0.00 3.57 0.62 -0.13 116.94 120.00 2aaj h PHE 83 Ca 0.09 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2aaj h PHE 83 Cb 0.11 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 2aaj h PHE 83 CO -0.17 -0.22 0.46 1.88 -2.23 0.00 0.00 178.31 178.03 2aaj h TYR 84 N -0.08 0.91 -0.26 0.41 0.05 -1.16 0.39 116.97 117.24 2aaj h TYR 84 Ca 0.18 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.80 2aaj h TYR 84 Cb 0.35 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.79 2aaj h TYR 84 CO -0.38 0.58 -0.55 0.87 -1.05 0.00 0.00 178.16 177.64 2aaj h LYS 85 N 0.97 0.79 -0.63 4.88 1.79 -1.34 -1.96 116.57 121.07 2aaj h LYS 85 Ca 0.26 -0.50 -0.05 0.00 -2.18 0.00 0.00 60.65 58.18 2aaj h LYS 85 Cb -0.09 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 2aaj h LYS 85 CO -0.05 1.13 0.20 -0.07 -1.08 0.00 0.00 179.45 179.58 2aaj h LEU 86 N 0.60 0.89 0.44 2.94 4.07 -0.73 -0.35 115.31 123.17 2aaj h LEU 86 Ca 0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 2aaj h LEU 86 Cb 1.14 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.65 2aaj h LEU 86 CO 0.12 0.83 -0.21 0.25 -1.08 0.00 0.00 178.44 178.34 2aaj h LEU 87 N 0.93 -0.50 -1.71 1.67 5.85 -0.01 -1.24 115.31 120.30 2aaj h LEU 87 Ca 0.21 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2aaj h LEU 87 Cb 0.26 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2aaj h LEU 87 CO -0.01 -0.14 0.05 0.71 -0.34 0.00 0.00 178.44 178.70 2aaj h THR 88 N -0.91 1.08 0.13 1.05 1.35 -1.40 -0.70 112.91 113.51 2aaj h THR 88 Ca -0.06 -0.28 0.01 0.00 -0.55 0.00 0.00 66.41 65.53 2aaj h THR 88 Cb 0.57 0.91 -0.03 0.00 -1.73 0.00 0.00 68.15 67.87 2aaj h THR 88 CO 0.10 0.10 -0.21 1.23 -0.25 0.00 0.00 175.52 176.49 2aaj h GLY 89 N 0.38 -0.39 1.14 5.82 0.00 -0.94 -1.74 103.07 107.34 2aaj h GLY 89 Ca 0.06 0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.53 2aaj h GLY 89 CO -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 176.54 176.29 2aaj h ALA 90 N 0.38 0.84 -0.13 3.60 0.00 -0.89 -1.59 119.26 121.49 2aaj h ALA 90 Ca 0.02 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2aaj h ALA 90 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2aaj h ALA 90 CO -0.11 0.66 -0.46 -0.07 0.00 0.00 0.00 179.25 179.27 2aaj h LEU 91 N 0.92 0.34 -0.07 0.00 3.38 -1.07 0.38 115.31 119.18 2aaj h LEU 91 Ca 0.16 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2aaj h LEU 91 Cb 0.60 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2aaj h LEU 91 CO 0.04 0.76 -0.18 -0.08 0.09 0.00 0.00 178.44 179.06 2aaj h GLU 92 N 0.26 0.26 -0.04 1.13 4.81 -1.17 -1.37 114.58 118.47 2aaj h GLU 92 Ca 0.02 -0.18 -0.19 0.00 -0.13 0.00 0.00 59.36 58.88 2aaj h GLU 92 Cb 0.92 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.34 2aaj h GLU 92 CO 0.08 0.78 -0.74 -0.09 -0.73 0.00 0.00 179.01 178.31 2aaj h ARG 93 N -0.23 0.56 0.00 1.92 2.43 -1.23 -1.75 114.38 116.08 2aaj h ARG 93 Ca -0.00 -0.56 -0.03 0.00 -0.81 0.00 0.00 59.98 58.58 2aaj h ARG 93 Cb 0.79 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2aaj h ARG 93 CO 0.04 1.18 -0.98 -0.44 -1.51 0.00 0.00 179.97 178.26 2aaj h ASP 94 N 0.16 0.00 0.00 -3.80 3.32 -0.38 -3.40 116.42 112.31 2aaj h ASP 94 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2aaj h ASP 94 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2aaj h ASP 94 CO 0.15 0.11 -0.08 0.00 -1.72 0.00 0.00 179.24 177.70 2aaj n GLY 96 N 0.82 -0.05 3.57 0.00 0.00 -0.66 -4.97 105.19 103.90 2aaj n GLY 96 Ca 0.00 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 2aaj n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aaj s ILE 97 N -2.65 5.17 0.25 -0.61 1.01 -0.76 -4.95 121.20 118.65 2aaj s ILE 97 Ca 0.05 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 2aaj s ILE 97 Cb -0.02 -3.76 -0.14 0.00 0.01 0.00 0.00 42.46 38.54 2aaj s ILE 97 CO 0.06 0.01 1.22 -0.24 0.00 0.00 0.00 174.94 175.99 2aaj n SER 98 N 5.36 1.97 0.14 3.58 2.88 -1.26 -3.40 113.62 122.89 2aaj n SER 98 Ca -0.09 1.16 0.10 0.00 -1.33 0.00 0.00 58.87 58.71 2aaj n SER 98 Cb 0.50 -1.34 0.52 0.00 -0.75 0.00 0.00 64.21 63.14 2aaj n SER 98 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2aaj n PRO 99 N 1.43 0.12 0.16 -1.46 -0.02 -1.26 -1.04 135.00 132.92 2aaj n PRO 99 Ca 0.11 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.34 2aaj n PRO 99 Cb 0.30 -1.90 0.54 0.00 -0.02 0.00 0.00 33.50 32.42 2aaj n PRO 99 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2aaj h ASP 100 N 0.00 0.00 -0.40 2.55 5.19 -1.88 -3.25 116.42 118.64 2aaj h ASP 100 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2aaj h ASP 100 Cb 0.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 2aaj h ASP 100 CO 0.00 0.00 0.02 0.47 -3.12 0.00 0.00 179.24 176.61 2aaj n ASP 101 N -2.39 4.42 -3.97 6.45 8.00 -0.21 -4.38 116.55 124.46 2aaj n ASP 101 Ca 0.02 -3.06 -0.29 0.00 0.71 0.00 0.00 54.79 52.16 2aaj n ASP 101 Cb 0.23 -0.61 -0.16 0.00 -0.02 0.00 0.00 41.12 40.56 2aaj n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2aaj s VAL 102 N -2.86 1.43 -0.08 2.53 1.01 -1.23 0.12 120.40 121.33 2aaj s VAL 102 Ca 0.47 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2aaj s VAL 102 Cb 0.38 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 2aaj s VAL 102 CO 0.11 0.31 -0.22 -0.63 0.00 0.00 0.00 175.10 174.67 2aaj s ILE 103 N 1.52 1.88 -0.05 2.22 1.01 -0.40 -5.01 121.20 122.37 2aaj s ILE 103 Ca 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2aaj s ILE 103 Cb -0.14 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.72 2aaj s ILE 103 CO -0.09 0.52 -0.11 -0.69 0.00 0.00 0.00 174.94 174.57 2aaj s VAL 104 N 0.21 0.99 -0.03 2.92 1.01 -1.26 0.28 120.40 124.52 2aaj s VAL 104 Ca -0.13 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2aaj s VAL 104 Cb -0.16 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 2aaj s VAL 104 CO 0.06 0.31 -0.16 0.00 0.00 0.00 0.00 175.10 175.32 2aaj s ALA 105 N 0.48 1.39 0.01 5.51 0.00 -0.43 -4.99 121.76 123.73 2aaj s ALA 105 Ca -0.10 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.28 2aaj s ALA 105 Cb -0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2aaj s ALA 105 CO 0.02 0.27 -0.16 -1.17 0.00 0.00 0.00 175.76 174.72 2aaj s LEU 106 N -0.05 2.09 -0.05 0.00 2.96 -1.26 -1.51 118.68 120.85 2aaj s LEU 106 Ca -0.01 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2aaj s LEU 106 Cb -0.10 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.81 2aaj s LEU 106 CO 0.01 0.15 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.34 2aaj s VAL 107 N -0.56 1.34 -0.05 1.68 1.01 0.95 -4.93 120.40 119.85 2aaj s VAL 107 Ca 0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2aaj s VAL 107 Cb -0.07 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2aaj s VAL 107 CO 0.00 0.40 0.08 -1.61 0.00 0.00 0.00 175.10 173.97 2aaj s GLU 108 N 0.28 3.14 0.00 2.72 2.02 -1.26 -1.03 118.70 124.57 2aaj s GLU 108 Ca -0.09 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.51 2aaj s GLU 108 Cb -0.13 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.18 2aaj s GLU 108 CO 0.03 0.69 0.00 0.27 0.02 0.00 0.00 175.26 176.27 2aaj n ASN 109 N 1.55 0.93 -4.43 -0.19 6.94 -0.00 -4.92 115.26 115.15 2aaj n ASN 109 Ca -0.16 -0.33 -0.29 0.00 -0.02 0.00 0.00 54.58 53.78 2aaj n ASN 109 Cb 0.53 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.87 2aaj n ASN 109 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2aaj s SER 110 N 0.33 3.39 0.53 0.53 1.04 -1.26 -3.62 113.70 114.64 2aaj s SER 110 Ca 0.00 -1.64 0.19 0.00 0.48 0.00 0.00 55.95 54.98 2aaj s SER 110 Cb 0.00 0.44 1.33 0.00 0.10 0.00 0.00 66.02 67.89 2aaj s SER 110 CO 0.00 -0.86 2.12 0.44 0.98 0.00 0.00 173.24 175.92 2aaj h ASP 111 N 1.62 0.00 0.94 7.02 3.32 -1.99 -1.48 116.42 125.86 2aaj h ASP 111 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2aaj h ASP 111 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2aaj h ASP 111 CO 0.66 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.18 2aaj n ALA 112 N -2.55 2.02 -0.32 3.45 0.00 -1.26 -3.85 120.51 118.00 2aaj n ALA 112 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.49 2aaj n ALA 112 Cb 0.22 -1.40 0.31 0.00 0.00 0.00 0.00 19.45 18.58 2aaj n ALA 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aaj n ASP 113 N -1.85 4.24 -4.00 0.00 8.00 -0.56 -4.87 116.55 117.51 2aaj n ASP 113 Ca 0.05 -2.42 -0.19 0.00 0.71 0.00 0.00 54.79 52.94 2aaj n ASP 113 Cb 0.30 -0.55 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 2aaj n ASP 113 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2aaj s TRP 114 N -1.87 0.78 -0.15 1.24 0.52 -1.25 -4.94 118.94 113.26 2aaj s TRP 114 Ca 0.44 -0.16 -0.04 0.00 0.02 0.00 0.00 56.10 56.36 2aaj s TRP 114 Cb 0.29 -0.52 0.07 0.00 -1.15 0.00 0.00 33.47 32.16 2aaj s TRP 114 CO 0.20 -0.04 0.19 0.45 0.02 0.00 0.00 176.95 177.78 2aaj s SER 115 N -0.05 1.15 0.06 2.95 0.15 -1.26 -4.11 113.70 112.59 2aaj s SER 115 Ca 0.01 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.92 2aaj s SER 115 Cb -0.05 0.32 0.41 0.00 -1.71 0.00 0.00 66.02 64.99 2aaj s SER 115 CO -0.00 -0.29 1.35 0.49 1.20 0.00 0.00 173.24 175.99 2aaj n PHE 116 N 5.32 0.29 0.00 3.44 3.72 -1.25 -4.95 117.46 124.02 2aaj n PHE 116 Ca -0.05 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2aaj n PHE 116 Cb 0.50 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 2aaj n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aaj n GLY 117 N 1.41 1.35 2.51 1.37 0.00 -1.26 -5.03 105.19 105.54 2aaj n GLY 117 Ca 0.04 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 2aaj n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aaj n ARG 118 N -0.19 -1.26 -1.51 1.61 1.74 -1.26 -1.79 116.66 114.00 2aaj n ARG 118 Ca 0.00 1.12 -0.16 0.00 -0.77 0.00 0.00 57.85 58.04 2aaj n ARG 118 Cb 0.00 -5.39 -0.06 0.00 -1.02 0.00 0.00 32.46 25.98 2aaj n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aaj n GLY 119 N -0.78 1.46 3.83 -0.13 0.00 -1.26 -4.97 105.19 103.33 2aaj n GLY 119 Ca -0.18 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 2aaj n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aaj s ARG 120 N -3.42 3.91 -1.05 1.61 0.52 -0.74 -5.05 118.95 114.73 2aaj s ARG 120 Ca 0.00 0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.42 2aaj s ARG 120 Cb 0.00 -3.24 0.20 0.00 0.52 0.00 0.00 34.95 32.44 2aaj s ARG 120 CO 0.00 0.65 1.14 0.00 0.02 0.00 0.00 175.30 177.11 2aaj s ALA 121 N -0.92 4.11 0.47 2.13 0.00 -1.26 -3.91 121.76 122.37 2aaj s ALA 121 Ca 0.23 -3.38 0.31 0.00 0.00 0.00 0.00 51.96 49.12 2aaj s ALA 121 Cb -0.16 -3.82 1.67 0.00 0.00 0.00 0.00 23.12 20.81 2aaj s ALA 121 CO 0.12 -2.55 2.15 0.93 0.00 0.00 0.00 175.76 176.41 2aaj h GLU 122 N 7.48 0.00 -0.00 0.00 3.07 -1.89 -0.64 114.58 122.60 2aaj h GLU 122 Ca 0.20 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.86 2aaj h GLU 122 Cb 0.94 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 2aaj h GLU 122 CO 1.05 0.07 -0.87 0.74 -1.40 0.00 0.00 179.01 178.59 2aaj h PHE 123 N 0.00 0.36 0.01 4.33 0.04 -1.77 -1.29 116.94 118.62 2aaj h PHE 123 Ca -0.00 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.49 2aaj h PHE 123 Cb 0.22 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.34 2aaj h PHE 123 CO 0.00 1.00 -0.33 -0.07 -0.60 0.00 0.00 178.31 178.31 2aaj h LEU 124 N 0.14 0.27 -1.24 1.54 4.07 -1.38 -3.29 115.31 115.43 2aaj h LEU 124 Ca -0.05 -0.80 -0.05 0.00 0.08 0.00 0.00 57.88 57.07 2aaj h LEU 124 Cb 1.50 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.14 2aaj h LEU 124 CO 0.14 1.04 -0.22 0.71 -1.08 0.00 0.00 178.44 179.03 2aaj h THR 125 N -0.46 0.58 0.00 0.22 1.35 -1.31 -3.47 112.91 109.82 2aaj h THR 125 Ca -0.04 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 2aaj h THR 125 Cb 1.09 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2aaj h THR 125 CO 0.06 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 2aaj n GLY 126 N 0.02 0.75 0.36 5.82 0.00 -0.77 -4.94 105.19 106.42 2aaj n GLY 126 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.20 2aaj n GLY 126 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2aaj h ASP 127 N 0.00 0.00 -4.45 1.61 3.32 -1.76 -3.42 116.42 111.73 2aaj h ASP 127 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 2aaj h ASP 127 Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 2aaj h ASP 127 CO 0.00 0.00 -0.76 -0.76 -1.72 0.00 0.00 179.24 176.00 2aaj s LEU 128 N -7.35 2.32 0.00 1.55 1.43 -0.56 -5.02 118.68 111.05 2aaj s LEU 128 Ca -0.04 -0.68 0.27 0.00 -1.03 0.00 0.00 54.13 52.65 2aaj s LEU 128 Cb 0.15 -0.41 0.87 0.00 0.03 0.00 0.00 46.19 46.82 2aaj s LEU 128 CO 0.52 -0.15 1.64 0.52 0.23 0.00 0.00 176.35 179.11