#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 2.40 -0.25 0.00 0.20 -0.07 -4.06 118.68 116.91 2aaj s LEU 2 Ca 0.00 -0.54 -0.07 0.00 0.69 0.00 0.00 54.13 54.21 2aaj s LEU 2 Cb 0.00 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 44.17 2aaj s LEU 2 CO 0.00 0.02 0.06 -0.76 -0.29 0.00 0.00 176.35 175.38 2aaj s LEU 3 N 1.21 3.38 -0.25 -0.68 1.43 -0.20 -1.14 118.68 122.42 2aaj s LEU 3 Ca 0.02 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2aaj s LEU 3 Cb -0.14 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2aaj s LEU 3 CO -0.07 -0.03 0.05 -0.54 0.23 0.00 0.00 176.35 175.98 2aaj s LYS 4 N 1.60 3.49 -0.20 1.70 1.02 0.53 -1.25 119.74 126.63 2aaj s LYS 4 Ca 0.06 -0.58 -0.09 0.00 0.02 0.00 0.00 55.97 55.38 2aaj s LYS 4 Cb -0.15 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 2aaj s LYS 4 CO 0.03 -0.24 0.12 -0.06 -0.92 0.00 0.00 175.35 174.28 2aaj s PHE 5 N 1.56 3.37 -0.16 3.18 0.40 0.51 -0.27 117.98 126.57 2aaj s PHE 5 Ca 0.06 0.26 -0.00 0.00 -0.60 0.00 0.00 56.93 56.64 2aaj s PHE 5 Cb -0.15 -2.15 -0.00 0.00 0.51 0.00 0.00 43.02 41.23 2aaj s PHE 5 CO 0.02 0.24 -0.14 -0.51 0.70 0.00 0.00 175.22 175.53 2aaj s ASP 6 N 0.41 3.76 0.09 1.36 1.01 0.53 -0.74 116.67 123.09 2aaj s ASP 6 Ca 0.07 -0.45 -0.06 0.00 0.71 0.00 0.00 52.55 52.82 2aaj s ASP 6 Cb -0.11 -1.59 -0.02 0.00 1.01 0.00 0.00 42.92 42.21 2aaj s ASP 6 CO -0.01 0.07 0.12 -1.48 0.21 0.00 0.00 175.17 174.09 2aaj s LEU 7 N 0.88 1.72 0.39 1.23 2.34 -0.69 -1.07 118.68 123.48 2aaj s LEU 7 Ca -0.04 -0.85 -0.13 0.00 0.06 0.00 0.00 54.13 53.17 2aaj s LEU 7 Cb -0.15 0.73 -0.08 0.00 -0.56 0.00 0.00 46.19 46.13 2aaj s LEU 7 CO -0.01 -0.71 0.79 -0.36 -1.06 0.00 0.00 176.35 175.00 2aaj s PHE 8 N -3.91 3.42 0.45 3.48 0.08 -1.26 -0.73 117.98 119.51 2aaj s PHE 8 Ca 0.09 1.18 -0.25 0.00 0.12 0.00 0.00 56.93 58.07 2aaj s PHE 8 Cb 0.06 -2.53 -0.08 0.00 -0.57 0.00 0.00 43.02 39.89 2aaj s PHE 8 CO -0.08 -0.06 1.44 0.71 -0.10 0.00 0.00 175.22 177.13 2aaj s TYR 9 N -2.25 2.44 0.00 0.36 2.02 0.52 -4.48 117.35 115.96 2aaj s TYR 9 Ca 0.54 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 58.48 2aaj s TYR 9 Cb -0.10 -3.94 0.00 0.00 -0.40 0.00 0.00 41.96 37.51 2aaj s TYR 9 CO 0.25 -3.00 0.00 0.41 -1.57 0.00 0.00 175.55 171.64 2aaj n GLY 10 N 0.56 2.14 3.78 0.71 0.00 -1.26 -5.01 105.19 106.11 2aaj n GLY 10 Ca 0.05 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 3.62 0.76 1.61 0.52 -1.26 -5.05 118.95 119.15 2aaj s ARG 11 Ca 0.00 1.52 -0.12 0.00 -0.52 0.00 0.00 55.73 56.61 2aaj s ARG 11 Cb 0.00 -2.11 0.05 0.00 0.52 0.00 0.00 34.95 33.41 2aaj s ARG 11 CO 0.00 -0.61 1.11 0.95 0.02 0.00 0.00 175.30 176.77 2aaj s THR 12 N -1.83 3.07 0.35 0.02 -4.23 -1.26 -4.90 115.64 106.85 2aaj s THR 12 Ca 0.69 0.35 0.03 0.00 -1.18 0.00 0.00 61.69 61.57 2aaj s THR 12 Cb -0.21 -3.24 0.24 0.00 1.34 0.00 0.00 72.50 70.63 2aaj s THR 12 CO 0.25 -0.45 1.98 0.44 -0.54 0.00 0.00 174.62 176.29 2aaj h ASP 13 N -0.91 0.67 -0.73 3.99 5.19 -1.99 -2.11 116.42 120.53 2aaj h ASP 13 Ca -0.46 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 55.90 2aaj h ASP 13 Cb 1.27 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.58 2aaj h ASP 13 CO 0.62 0.53 0.43 0.00 -3.12 0.00 0.00 179.24 177.70 2aaj h ALA 14 N 1.58 0.94 -0.57 3.45 0.00 -1.99 0.12 119.26 122.78 2aaj h ALA 14 Ca 0.20 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2aaj h ALA 14 Cb -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 2aaj h ALA 14 CO -0.04 0.42 0.35 1.96 0.00 0.00 0.00 179.25 181.95 2aaj h GLN 15 N 1.01 0.67 -0.71 0.00 4.20 -1.78 -0.38 115.11 118.12 2aaj h GLN 15 Ca 0.26 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.96 2aaj h GLN 15 Cb -0.01 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 2aaj h GLN 15 CO -0.05 0.44 0.45 0.82 -0.67 0.00 0.00 178.83 179.82 2aaj h ILE 16 N 0.69 1.11 -0.37 2.54 2.04 -0.84 -1.82 117.51 120.86 2aaj h ILE 16 Ca 0.23 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2aaj h ILE 16 Cb 0.02 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 2aaj h ILE 16 CO -0.10 0.16 0.13 0.50 0.00 0.00 0.00 178.15 178.84 2aaj h LYS 17 N 0.88 0.56 -0.44 2.37 3.64 -0.08 0.46 116.57 123.96 2aaj h LYS 17 Ca 0.28 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 2aaj h LYS 17 Cb 0.00 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.68 2aaj h LYS 17 CO -0.10 0.57 0.10 0.77 -2.27 0.00 0.00 179.45 178.51 2aaj h SER 18 N 0.45 0.02 -0.04 4.20 0.02 -0.62 0.18 113.55 117.76 2aaj h SER 18 Ca 0.12 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2aaj h SER 18 Cb 0.23 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 2aaj h SER 18 CO -0.01 0.05 -0.18 0.25 -1.14 0.00 0.00 176.83 175.80 2aaj h LEU 19 N 0.23 -0.53 -0.73 5.07 6.46 -1.00 0.22 115.31 125.02 2aaj h LEU 19 Ca 0.22 0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 58.01 2aaj h LEU 19 Cb 0.27 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 2aaj h LEU 19 CO -0.28 -0.24 0.26 -0.07 -0.62 0.00 0.00 178.44 177.49 2aaj h LEU 20 N -0.27 1.05 0.05 2.25 3.38 -0.28 -1.13 115.31 120.36 2aaj h LEU 20 Ca 0.07 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2aaj h LEU 20 Cb 0.36 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2aaj h LEU 20 CO -0.20 0.96 -0.03 0.44 0.09 0.00 0.00 178.44 179.70 2aaj h ASP 21 N 1.07 -0.06 -0.17 -0.43 3.32 -0.54 0.36 116.42 119.97 2aaj h ASP 21 Ca 0.24 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.26 2aaj h ASP 21 Cb 0.27 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 2aaj h ASP 21 CO -0.01 0.05 -0.21 0.00 -1.72 0.00 0.00 179.24 177.34 2aaj h ALA 22 N 0.78 -0.13 -0.84 3.45 0.00 -0.44 -1.06 119.26 121.02 2aaj h ALA 22 Ca -0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2aaj h ALA 22 Cb 0.14 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2aaj h ALA 22 CO 0.01 -0.65 0.39 0.00 0.00 0.00 0.00 179.25 179.00 2aaj h ALA 23 N 0.78 1.11 -0.56 0.00 0.00 -1.20 -2.39 119.26 117.00 2aaj h ALA 23 Ca 0.11 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2aaj h ALA 23 Cb 0.42 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2aaj h ALA 23 CO -0.32 0.67 0.22 1.25 0.00 0.00 0.00 179.25 181.07 2aaj h HIS 24 N 1.20 0.38 -0.99 0.00 6.17 -0.35 -2.21 115.15 119.35 2aaj h HIS 24 Ca 0.29 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.40 2aaj h HIS 24 Cb 0.13 -0.09 -0.05 0.00 2.52 0.00 0.00 27.41 29.93 2aaj h HIS 24 CO 0.02 0.12 0.65 0.78 0.71 0.00 0.00 177.93 180.21 2aaj h GLY 25 N 0.41 1.39 1.04 5.26 0.00 -0.72 -0.76 103.07 109.69 2aaj h GLY 25 Ca 0.27 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 2aaj h GLY 25 CO -0.26 0.51 -0.04 0.00 0.00 0.00 0.00 176.54 176.75 2aaj h ALA 26 N 1.36 0.71 0.24 3.60 0.00 -1.26 -0.57 119.26 123.34 2aaj h ALA 26 Ca 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2aaj h ALA 26 Cb -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2aaj h ALA 26 CO -0.08 0.56 -0.12 1.98 0.00 0.00 0.00 179.25 181.59 2aaj h MET 27 N 0.82 -0.32 -0.52 0.00 -1.53 -1.19 0.36 114.93 112.55 2aaj h MET 27 Ca 0.14 0.02 0.10 0.00 -3.44 0.00 0.00 59.70 56.53 2aaj h MET 27 Cb 0.58 0.07 -0.09 0.00 -0.55 0.00 0.00 31.60 31.61 2aaj h MET 27 CO 0.03 -0.09 -0.00 0.28 0.14 0.00 0.00 176.91 177.28 2aaj h VAL 28 N -0.50 0.59 -0.33 -5.77 2.07 -1.06 -1.20 116.25 110.05 2aaj h VAL 28 Ca -0.03 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2aaj h VAL 28 Cb 0.37 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2aaj h VAL 28 CO 0.06 0.02 -0.05 0.44 0.02 0.00 0.00 177.57 178.05 2aaj h ASP 29 N 0.12 0.62 -0.30 0.57 3.32 -1.00 -0.81 116.42 118.93 2aaj h ASP 29 Ca 0.26 -0.35 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 2aaj h ASP 29 Cb 0.40 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2aaj h ASP 29 CO -0.43 0.82 -0.20 0.00 -1.72 0.00 0.00 179.24 177.71 2aaj h ALA 30 N 0.82 0.90 -0.01 3.45 0.00 -0.05 -3.34 119.26 121.04 2aaj h ALA 30 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2aaj h ALA 30 Cb 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2aaj h ALA 30 CO 0.03 0.62 -0.27 1.19 0.00 0.00 0.00 179.25 180.82 2aaj n PHE 31 N -4.12 0.00 -3.76 0.00 3.72 -0.47 -4.81 117.46 108.01 2aaj n PHE 31 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 2aaj n PHE 31 Cb 0.42 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.99 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 0.98 -0.36 3.97 1.37 0.00 -0.31 -5.01 105.19 105.83 2aaj n GLY 32 Ca 0.04 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.55 4.20 0.55 1.61 -7.23 -1.23 -5.09 120.40 109.66 2aaj s VAL 33 Ca 0.21 -0.82 -0.19 0.00 -1.81 0.00 0.00 61.98 59.37 2aaj s VAL 33 Cb -0.11 -3.49 -0.06 0.00 0.56 0.00 0.00 36.38 33.29 2aaj s VAL 33 CO 0.81 -0.24 1.13 -2.84 -0.31 0.00 0.00 175.10 173.66 2aaj s PRO 34 N -4.28 3.32 0.52 4.82 0.02 -1.26 -4.81 135.00 133.33 2aaj s PRO 34 Ca 0.45 1.62 0.35 0.00 0.02 0.00 0.00 61.00 63.44 2aaj s PRO 34 Cb -0.10 -2.00 1.90 0.00 0.02 0.00 0.00 34.50 34.32 2aaj s PRO 34 CO 0.33 -0.88 2.08 0.00 -0.33 0.00 0.00 177.00 178.20 2aaj h ALA 35 N 1.15 1.00 -0.69 -1.55 0.00 -1.99 0.04 119.26 117.22 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 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2aaj h ALA 35 CO 0.57 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.09 2aaj n ASN 36 N -2.75 4.50 -3.49 0.00 0.23 -1.26 -4.55 115.26 107.93 2aaj n ASN 36 Ca -0.02 -2.27 -0.40 0.00 -0.53 0.00 0.00 54.58 51.35 2aaj n ASN 36 Cb 0.07 -0.55 -0.01 0.00 -2.08 0.00 0.00 39.78 37.21 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 1.36 7.66 -4.14 0.53 2.03 -0.00 -4.93 116.55 119.05 2aaj n ASP 37 Ca 0.26 -2.95 -0.34 0.00 0.52 0.00 0.00 54.79 52.28 2aaj n ASP 37 Cb 0.79 -1.45 -0.14 0.00 -0.72 0.00 0.00 41.12 39.60 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 0.28 2.42 -0.23 -0.67 3.52 -1.26 -4.65 118.95 118.36 2aaj s ARG 38 Ca 0.57 -1.25 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 2aaj s ARG 38 Cb 0.17 -3.05 0.08 0.00 -1.56 0.00 0.00 34.95 30.59 2aaj s ARG 38 CO -0.07 -0.57 0.08 0.71 -0.81 0.00 0.00 175.30 174.64 2aaj s TYR 39 N 1.21 0.81 0.01 5.12 2.02 -1.26 -5.12 117.35 120.14 2aaj s TYR 39 Ca -0.06 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 55.74 2aaj s TYR 39 Cb -0.19 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.31 2aaj s TYR 39 CO -0.03 -0.69 -0.02 -0.65 -1.57 0.00 0.00 175.55 172.60 2aaj s GLN 40 N 1.93 0.16 0.07 -0.62 -0.21 -1.26 -1.04 119.66 118.68 2aaj s GLN 40 Ca 0.04 -0.23 0.03 0.00 0.02 0.00 0.00 55.36 55.22 2aaj s GLN 40 Cb -0.17 -0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.79 2aaj s GLN 40 CO -0.18 -0.00 -0.10 0.95 -2.12 0.00 0.00 175.29 173.84 2aaj s THR 41 N -0.51 0.81 -0.04 -0.19 -4.23 -0.38 -4.97 115.64 106.14 2aaj s THR 41 Ca -0.05 -1.34 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 2aaj s THR 41 Cb -0.04 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.81 2aaj s THR 41 CO -0.00 -0.42 -0.11 0.68 -0.54 0.00 0.00 174.62 174.23 2aaj s VAL 42 N -1.77 0.97 -0.14 2.29 -7.23 -1.26 -0.36 120.40 112.90 2aaj s VAL 42 Ca -0.02 -0.45 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 2aaj s VAL 42 Cb -0.07 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 2aaj s VAL 42 CO 0.01 0.30 -0.16 -0.44 -0.31 0.00 0.00 175.10 174.50 2aaj s SER 43 N 0.28 3.71 -0.12 4.85 0.01 0.08 -4.97 113.70 117.53 2aaj s SER 43 Ca -0.06 -0.43 -0.11 0.00 1.31 0.00 0.00 55.95 56.67 2aaj s SER 43 Cb -0.11 -1.56 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 2aaj s SER 43 CO 0.01 0.12 0.22 -1.10 0.41 0.00 0.00 173.24 172.91 2aaj s GLN 44 N 0.60 3.86 0.13 12.44 -0.21 -1.26 -1.71 119.66 133.51 2aaj s GLN 44 Ca -0.09 0.01 0.10 0.00 0.02 0.00 0.00 55.36 55.40 2aaj s GLN 44 Cb -0.16 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.52 2aaj s GLN 44 CO 0.03 0.55 -0.25 -1.01 -2.12 0.00 0.00 175.29 172.49 2aaj s HIS 45 N -0.43 2.19 0.64 0.91 3.76 0.09 -4.82 115.29 117.63 2aaj s HIS 45 Ca 0.16 -0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 54.60 2aaj s HIS 45 Cb -0.13 -1.18 0.01 0.00 1.11 0.00 0.00 32.58 32.40 2aaj s HIS 45 CO 0.05 0.33 0.98 1.03 -0.85 0.00 0.00 174.74 176.28 2aaj s ARG 46 N -2.10 2.85 0.36 1.40 0.52 -1.26 -0.36 118.95 120.37 2aaj s ARG 46 Ca 0.13 0.17 0.13 0.00 -0.52 0.00 0.00 55.73 55.64 2aaj s ARG 46 Cb -0.10 -2.17 0.95 0.00 0.52 0.00 0.00 34.95 34.16 2aaj s ARG 46 CO 0.06 -0.86 1.78 -1.35 0.02 0.00 0.00 175.30 174.94 2aaj h PRO 47 N -0.39 0.52 -1.22 3.54 0.11 -1.96 0.28 132.00 132.89 2aaj h PRO 47 Ca -0.45 -0.03 0.35 0.00 0.11 0.00 0.00 66.00 65.98 2aaj h PRO 47 Cb 1.26 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 2aaj h PRO 47 CO 0.62 0.35 0.87 0.78 -0.21 0.00 0.00 178.00 180.41 2aaj h GLY 48 N 0.54 0.09 -1.76 -0.55 0.00 -2.06 -3.34 103.07 96.00 2aaj h GLY 48 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2aaj h GLY 48 CO -0.34 -0.01 0.00 1.18 0.00 0.00 0.00 176.54 177.37 2aaj n GLU 49 N -4.20 2.26 -3.76 4.80 1.02 0.99 -4.85 120.64 116.90 2aaj n GLU 49 Ca 0.27 -2.04 -0.13 0.00 -0.02 0.00 0.00 57.16 55.24 2aaj n GLU 49 Cb 1.26 -1.39 -0.12 0.00 -0.02 0.00 0.00 31.44 31.18 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 -1.18 0.25 -0.20 3.49 -1.94 -1.25 -4.94 119.30 113.53 2aaj s MET 50 Ca 0.30 0.42 0.01 0.00 -1.71 0.00 0.00 55.69 54.71 2aaj s MET 50 Cb 0.17 0.03 0.04 0.00 2.01 0.00 0.00 34.83 37.09 2aaj s MET 50 CO 0.24 -0.09 -0.09 0.08 -0.01 0.00 0.00 175.02 175.14 2aaj s VAL 51 N 0.60 1.59 -0.31 -6.03 1.01 -1.26 -4.98 120.40 111.03 2aaj s VAL 51 Ca -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2aaj s VAL 51 Cb -0.05 -1.70 0.09 0.00 0.00 0.00 0.00 36.38 34.72 2aaj s VAL 51 CO -0.03 0.13 0.06 -0.76 0.00 0.00 0.00 175.10 174.49 2aaj s LEU 52 N 1.41 3.20 0.00 3.92 1.43 -1.26 -5.12 118.68 122.26 2aaj s LEU 52 Ca -0.02 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.33 2aaj s LEU 52 Cb -0.16 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.87 2aaj s LEU 52 CO -0.08 -0.38 0.00 -0.62 0.23 0.00 0.00 176.35 175.51 2aaj n GLU 53 N 4.61 3.58 0.00 1.70 1.02 -1.26 -5.00 120.64 125.29 2aaj n GLU 53 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2aaj n GLU 53 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 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 0.00 -3.65 1.62 5.75 -1.26 -5.01 116.55 114.00 2aaj n ASP 54 Ca 0.00 -1.00 -0.27 0.00 -0.01 0.00 0.00 54.79 53.51 2aaj n ASP 54 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 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 0.00 -1.59 -1.07 2.12 -1.04 -1.26 -2.07 114.28 109.37 2aaj n THR 55 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2aaj n THR 55 Cb 0.48 -2.48 -0.01 0.00 -1.82 0.00 0.00 70.33 66.49 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 -1.48 0.48 0.01 3.41 0.00 -1.26 -4.88 105.19 101.48 2aaj n GLY 56 Ca 0.01 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.29 0.05 -1.64 0.99 4.32 -0.88 -4.94 117.00 114.61 2aaj n LEU 57 Ca -0.03 0.26 -0.10 0.00 -0.02 0.00 0.00 56.01 56.13 2aaj n LEU 57 Cb 0.27 -0.28 0.02 0.00 -1.62 0.00 0.00 43.42 41.81 2aaj n LEU 57 CO 0.04 0.01 0.05 0.61 -1.22 0.00 0.00 177.39 176.88 2aaj n GLY 58 N 1.30 0.21 3.80 -0.72 0.00 -1.26 -5.06 105.19 103.46 2aaj n GLY 58 Ca 0.14 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.95 3.59 0.00 1.61 2.02 -1.26 -5.03 117.35 115.32 2aaj s TYR 59 Ca 0.19 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 57.61 2aaj s TYR 59 Cb -0.08 -2.22 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 2aaj s TYR 59 CO 0.23 0.51 0.00 0.41 -1.57 0.00 0.00 175.55 175.13 2aaj n GLY 60 N 2.48 0.67 3.76 0.71 0.00 -1.26 -4.79 105.19 106.76 2aaj n GLY 60 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.58 4.58 0.37 1.61 0.52 -1.26 -4.62 118.95 119.58 2aaj s ARG 61 Ca 0.00 1.19 0.01 0.00 -0.52 0.00 0.00 55.73 56.41 2aaj s ARG 61 Cb 0.00 -3.31 0.01 0.00 0.52 0.00 0.00 34.95 32.17 2aaj s ARG 61 CO 0.00 0.43 0.06 -1.13 0.02 0.00 0.00 175.30 174.68 2aaj n SER 62 N 2.13 2.85 0.00 0.23 3.41 -1.26 -5.01 113.62 115.98 2aaj n SER 62 Ca -0.03 -2.55 0.08 0.00 -0.26 0.00 0.00 58.87 56.11 2aaj n SER 62 Cb 0.49 0.20 0.41 0.00 -0.26 0.00 0.00 64.21 65.04 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 -1.99 113.62 116.46 2aaj n SER 63 Ca -0.12 0.03 0.13 0.00 -0.26 0.00 0.00 58.87 58.66 2aaj n SER 63 Cb 0.46 -0.27 0.80 0.00 -0.26 0.00 0.00 64.21 64.93 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 -1.27 2.66 -1.64 7.33 0.00 -1.26 -4.39 120.51 121.92 2aaj n ALA 64 Ca 0.08 -0.17 -0.47 0.00 0.00 0.00 0.00 53.44 52.89 2aaj n ALA 64 Cb 0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.92 0.65 -4.17 0.00 3.14 -0.84 -4.94 118.33 111.25 2aaj n VAL 65 Ca 0.20 -0.16 -0.34 0.00 -2.96 0.00 0.00 64.34 61.08 2aaj n VAL 65 Cb 0.09 -1.30 -0.15 0.00 -1.06 0.00 0.00 33.84 31.43 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 0.17 2.81 -0.21 1.55 1.01 0.89 -4.28 120.40 122.34 2aaj s VAL 66 Ca 0.73 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 2aaj s VAL 66 Cb -0.73 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2aaj s VAL 66 CO 0.47 0.48 0.10 -0.22 0.00 0.00 0.00 175.10 175.94 2aaj s LEU 67 N 1.19 3.87 -0.17 3.92 2.96 -0.23 -1.78 118.68 128.45 2aaj s LEU 67 Ca 0.02 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2aaj s LEU 67 Cb -0.14 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.55 2aaj s LEU 67 CO -0.05 0.10 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.67 2aaj s LEU 68 N 0.80 2.16 -0.14 -0.68 2.96 0.11 -0.35 118.68 123.54 2aaj s LEU 68 Ca 0.05 -0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 2aaj s LEU 68 Cb -0.13 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2aaj s LEU 68 CO 0.02 0.02 0.01 -0.89 -1.32 0.00 0.00 176.35 174.19 2aaj s THR 69 N 1.17 4.36 -0.12 3.68 2.01 0.63 -1.53 115.64 125.84 2aaj s THR 69 Ca 0.02 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2aaj s THR 69 Cb -0.14 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.48 2aaj s THR 69 CO -0.10 0.52 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.49 2aaj s VAL 70 N -0.05 1.69 -0.20 3.82 1.01 -0.05 -0.35 120.40 126.28 2aaj s VAL 70 Ca 0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2aaj s VAL 70 Cb -0.13 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2aaj s VAL 70 CO 0.02 0.48 0.01 -0.63 0.00 0.00 0.00 175.10 174.98 2aaj s ILE 71 N 0.99 4.08 -0.03 2.22 1.01 -0.29 0.18 121.20 129.34 2aaj s ILE 71 Ca -0.05 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 2aaj s ILE 71 Cb -0.15 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.50 2aaj s ILE 71 CO -0.03 0.43 0.26 -0.55 0.00 0.00 0.00 174.94 175.05 2aaj s SER 72 N 0.90 -0.16 0.97 3.58 0.15 -0.17 -0.89 113.70 118.08 2aaj s SER 72 Ca 0.01 0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.67 2aaj s SER 72 Cb -0.14 0.35 0.12 0.00 -1.71 0.00 0.00 66.02 64.63 2aaj s SER 72 CO 0.02 -0.34 0.79 -1.14 1.20 0.00 0.00 173.24 173.77 2aaj n ARG 73 N 1.73 -0.64 -1.94 5.44 0.63 -1.26 -0.53 116.66 120.10 2aaj n ARG 73 Ca -0.20 -0.14 -0.40 0.00 -0.92 0.00 0.00 57.85 56.20 2aaj n ARG 73 Cb 0.56 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.35 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 -4.17 3.95 0.11 -0.14 0.02 -1.24 -4.75 135.00 128.79 2aaj s PRO 74 Ca 0.63 2.32 0.04 0.00 0.02 0.00 0.00 61.00 64.01 2aaj s PRO 74 Cb -0.22 -2.80 -0.04 0.00 0.02 0.00 0.00 34.50 31.46 2aaj s PRO 74 CO 0.63 -0.56 -0.11 1.03 -0.33 0.00 0.00 177.00 177.66 2aaj s ARG 75 N -2.22 0.92 0.63 5.54 1.81 -1.26 -5.13 118.95 119.24 2aaj s ARG 75 Ca 0.56 -1.23 -0.15 0.00 -1.72 0.00 0.00 55.73 53.19 2aaj s ARG 75 Cb -0.42 -0.62 -0.02 0.00 -0.45 0.00 0.00 34.95 33.45 2aaj s ARG 75 CO 0.54 0.10 1.10 -1.54 -0.68 0.00 0.00 175.30 174.82 2aaj s SER 76 N -2.58 5.36 0.40 0.23 1.04 -1.26 -4.90 113.70 111.99 2aaj s SER 76 Ca 0.08 1.96 0.12 0.00 0.48 0.00 0.00 55.95 58.59 2aaj s SER 76 Cb -0.02 -2.55 0.95 0.00 0.10 0.00 0.00 66.02 64.50 2aaj s SER 76 CO 0.01 -1.46 1.93 -0.08 0.98 0.00 0.00 173.24 174.62 2aaj h GLU 77 N 0.23 0.51 -0.69 4.02 4.81 -2.01 -2.47 114.58 118.99 2aaj h GLU 77 Ca -0.47 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2aaj h GLU 77 Cb 1.24 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2aaj h GLU 77 CO 0.55 0.34 0.32 0.77 -0.73 0.00 0.00 179.01 180.26 2aaj h SER 78 N 0.53 0.92 -0.60 1.04 0.02 -2.00 -1.75 113.55 111.70 2aaj h SER 78 Ca 0.35 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2aaj h SER 78 Cb 0.64 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2aaj h SER 78 CO -0.12 0.81 0.15 1.56 -1.14 0.00 0.00 176.83 178.09 2aaj h GLN 79 N 0.97 0.99 0.04 3.45 4.20 -1.77 -2.02 115.11 120.98 2aaj h GLN 79 Ca 0.24 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2aaj h GLN 79 Cb 0.14 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2aaj h GLN 79 CO -0.03 0.88 -0.02 0.87 -0.67 0.00 0.00 178.83 179.87 2aaj h LYS 80 N 0.95 -0.05 -0.73 1.46 1.57 -1.21 -0.84 116.57 117.71 2aaj h LYS 80 Ca 0.20 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.10 2aaj h LYS 80 Cb 0.34 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.58 2aaj h LYS 80 CO 0.00 0.25 0.35 0.28 -0.57 0.00 0.00 179.45 179.76 2aaj h VAL 81 N -0.36 0.78 -0.22 0.50 2.07 -1.30 -0.63 116.25 117.09 2aaj h VAL 81 Ca -0.01 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2aaj h VAL 81 Cb 0.33 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2aaj h VAL 81 CO 0.01 0.10 0.14 0.00 0.02 0.00 0.00 177.57 177.84 2aaj h PHE 83 N 0.29 0.28 -0.79 0.00 3.57 0.17 0.22 116.94 120.68 2aaj h PHE 83 Ca 0.08 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2aaj h PHE 83 Cb -0.02 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 2aaj h PHE 83 CO -0.07 0.11 0.43 1.88 -2.23 0.00 0.00 178.31 178.42 2aaj h TYR 84 N 0.33 1.09 -0.04 0.41 0.05 -1.10 0.15 116.97 117.86 2aaj h TYR 84 Ca 0.21 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.94 2aaj h TYR 84 Cb 0.19 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 2aaj h TYR 84 CO -0.15 0.77 -0.04 0.87 -1.05 0.00 0.00 178.16 178.55 2aaj h LYS 85 N 1.10 0.11 -0.90 4.88 1.79 -1.26 -2.33 116.57 119.96 2aaj h LYS 85 Ca 0.28 -0.06 0.11 0.00 -2.18 0.00 0.00 60.65 58.80 2aaj h LYS 85 Cb 0.04 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.62 2aaj h LYS 85 CO -0.04 0.57 0.53 -0.07 -1.08 0.00 0.00 179.45 179.36 2aaj h LEU 86 N -0.35 0.77 0.37 2.94 4.07 -0.91 -1.39 115.31 120.80 2aaj h LEU 86 Ca 0.01 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 2aaj h LEU 86 Cb 0.55 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2aaj h LEU 86 CO 0.01 0.42 -0.18 0.25 -1.08 0.00 0.00 178.44 177.86 2aaj h LEU 87 N 0.86 -0.42 -1.57 1.67 5.85 -0.49 -0.88 115.31 120.34 2aaj h LEU 87 Ca 0.44 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 2aaj h LEU 87 Cb 0.44 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2aaj h LEU 87 CO -0.26 -0.10 -0.20 0.71 -0.34 0.00 0.00 178.44 178.24 2aaj h THR 88 N -0.76 0.69 0.28 1.05 1.35 -1.42 -0.61 112.91 113.48 2aaj h THR 88 Ca -0.05 -0.84 -0.01 0.00 -0.55 0.00 0.00 66.41 64.96 2aaj h THR 88 Cb 0.51 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2aaj h THR 88 CO 0.08 0.19 -0.13 1.23 -0.25 0.00 0.00 175.52 176.64 2aaj h GLY 89 N 1.25 -0.39 0.92 5.82 0.00 -1.10 -1.51 103.07 108.06 2aaj h GLY 89 Ca -0.00 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.49 2aaj h GLY 89 CO 0.03 -0.14 0.33 0.00 0.00 0.00 0.00 176.54 176.75 2aaj h ALA 90 N 0.12 0.68 -0.06 3.60 0.00 -0.84 -1.20 119.26 121.56 2aaj h ALA 90 Ca -0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2aaj h ALA 90 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2aaj h ALA 90 CO 0.06 0.06 -0.43 -0.07 0.00 0.00 0.00 179.25 178.87 2aaj h LEU 91 N 0.66 0.13 0.21 0.00 3.38 -1.08 0.46 115.31 119.07 2aaj h LEU 91 Ca 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2aaj h LEU 91 Cb -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2aaj h LEU 91 CO -0.08 0.55 -0.10 -0.08 0.09 0.00 0.00 178.44 178.82 2aaj h GLU 92 N 0.11 -0.27 -0.26 1.13 4.81 -1.19 -0.79 114.58 118.12 2aaj h GLU 92 Ca 0.01 0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 2aaj h GLU 92 Cb 0.81 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2aaj h GLU 92 CO 0.06 0.12 -0.48 -0.09 -0.73 0.00 0.00 179.01 177.89 2aaj h ARG 93 N -0.82 0.70 0.00 1.92 2.43 -1.10 -0.69 114.38 116.82 2aaj h ARG 93 Ca -0.03 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2aaj h ARG 93 Cb 0.51 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2aaj h ARG 93 CO 0.05 1.03 -1.30 -0.25 -1.51 0.00 0.00 179.97 177.98 2aaj n ASP 94 N -4.00 0.57 0.00 -3.80 8.00 0.16 -4.58 116.55 112.90 2aaj n ASP 94 Ca -0.03 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2aaj n ASP 94 Cb 0.58 0.94 0.00 0.00 -0.02 0.00 0.00 41.12 42.62 2aaj n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aaj n GLY 96 N 0.44 -0.36 3.63 0.00 0.00 -0.26 -4.96 105.19 103.68 2aaj n GLY 96 Ca 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.92 5.10 0.36 -0.61 1.01 -0.35 -4.95 121.20 118.83 2aaj s ILE 97 Ca 0.05 0.85 -0.28 0.00 0.00 0.00 0.00 60.65 61.27 2aaj s ILE 97 Cb -0.02 -3.81 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 2aaj s ILE 97 CO 0.07 0.12 1.46 -0.24 0.00 0.00 0.00 174.94 176.35 2aaj n SER 98 N 5.28 3.55 0.25 3.58 2.88 -1.26 -3.40 113.62 124.50 2aaj n SER 98 Ca -0.05 1.21 0.17 0.00 -1.33 0.00 0.00 58.87 58.87 2aaj n SER 98 Cb 0.50 -1.58 0.88 0.00 -0.75 0.00 0.00 64.21 63.25 2aaj n SER 98 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2aaj h PRO 99 N 3.13 0.00 0.00 -1.46 0.11 -1.96 -0.09 132.00 131.73 2aaj h PRO 99 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2aaj h PRO 99 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2aaj h PRO 99 CO 0.66 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.01 2aaj h ASP 100 N 0.00 0.00 -0.51 -2.05 5.19 -1.88 -3.16 116.42 114.02 2aaj h ASP 100 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2aaj h ASP 100 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2aaj h ASP 100 CO 0.00 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.59 2aaj n ASP 101 N -2.85 4.98 -4.00 6.45 8.00 -0.04 -4.43 116.55 124.67 2aaj n ASP 101 Ca -0.00 -2.82 -0.29 0.00 0.71 0.00 0.00 54.79 52.39 2aaj n ASP 101 Cb 0.22 -0.61 -0.17 0.00 -0.02 0.00 0.00 41.12 40.54 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 -2.52 1.45 -0.07 2.53 1.01 -1.20 -0.08 120.40 121.53 2aaj s VAL 102 Ca 0.50 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2aaj s VAL 102 Cb 0.37 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 35.37 2aaj s VAL 102 CO 0.16 0.44 -0.19 -0.63 0.00 0.00 0.00 175.10 174.88 2aaj s ILE 103 N 1.51 1.61 -0.04 2.22 1.01 -0.73 -5.01 121.20 121.77 2aaj s ILE 103 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.94 2aaj s ILE 103 Cb -0.13 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 40.94 2aaj s ILE 103 CO -0.10 0.46 -0.09 -0.69 0.00 0.00 0.00 174.94 174.53 2aaj s VAL 104 N 0.34 0.80 -0.01 2.92 1.01 -1.26 0.06 120.40 124.26 2aaj s VAL 104 Ca -0.13 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2aaj s VAL 104 Cb -0.15 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 2aaj s VAL 104 CO 0.05 0.26 -0.18 0.00 0.00 0.00 0.00 175.10 175.24 2aaj s ALA 105 N 0.44 1.49 -0.04 5.51 0.00 -0.58 -4.97 121.76 123.61 2aaj s ALA 105 Ca -0.07 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2aaj s ALA 105 Cb -0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 2aaj s ALA 105 CO 0.01 0.36 -0.15 -1.17 0.00 0.00 0.00 175.76 174.81 2aaj s LEU 106 N -0.49 1.89 -0.06 0.00 2.96 -1.26 -0.87 118.68 120.86 2aaj s LEU 106 Ca 0.07 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2aaj s LEU 106 Cb -0.07 -0.87 -0.00 0.00 0.50 0.00 0.00 46.19 45.75 2aaj s LEU 106 CO -0.00 0.14 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.28 2aaj s VAL 107 N 0.05 1.65 -0.05 1.68 1.01 0.13 -4.94 120.40 119.92 2aaj s VAL 107 Ca -0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 2aaj s VAL 107 Cb -0.11 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2aaj s VAL 107 CO 0.02 0.47 0.18 -1.61 0.00 0.00 0.00 175.10 174.15 2aaj s GLU 108 N 0.17 3.47 0.00 2.72 2.02 -1.26 -0.99 118.70 124.83 2aaj s GLU 108 Ca -0.09 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.70 2aaj s GLU 108 Cb -0.14 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.95 2aaj s GLU 108 CO 0.04 0.72 0.00 0.27 0.02 0.00 0.00 175.26 176.31 2aaj n ASN 109 N 1.42 0.95 -4.24 -0.19 0.23 0.32 -4.91 115.26 108.84 2aaj n ASN 109 Ca -0.15 -0.09 -0.28 0.00 -0.53 0.00 0.00 54.58 53.53 2aaj n ASN 109 Cb 0.54 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.16 2aaj n ASN 109 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2aaj s SER 110 N 0.82 3.17 0.48 0.53 1.04 -1.26 -3.62 113.70 114.85 2aaj s SER 110 Ca 0.00 -1.70 0.18 0.00 0.48 0.00 0.00 55.95 54.91 2aaj s SER 110 Cb 0.00 0.57 1.18 0.00 0.10 0.00 0.00 66.02 67.87 2aaj s SER 110 CO 0.00 -0.95 2.04 0.44 0.98 0.00 0.00 173.24 175.76 2aaj h ASP 111 N 1.65 0.00 0.94 7.02 3.32 -1.99 -2.17 116.42 125.19 2aaj h ASP 111 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 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 0.60 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 178.26 2aaj n ALA 112 N -2.45 2.07 -0.62 3.45 0.00 -1.26 -3.91 120.51 117.78 2aaj n ALA 112 Ca -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.43 2aaj n ALA 112 Cb 0.22 -1.40 0.35 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.75 5.06 -3.86 0.00 8.00 -0.81 -4.87 116.55 118.31 2aaj n ASP 113 Ca 0.05 -2.77 -0.18 0.00 0.71 0.00 0.00 54.79 52.61 2aaj n ASP 113 Cb 0.30 -0.65 -0.16 0.00 -0.02 0.00 0.00 41.12 40.59 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 -2.46 0.50 -0.14 1.24 0.52 -1.25 -4.94 118.94 112.40 2aaj s TRP 114 Ca 0.48 -0.09 -0.02 0.00 0.02 0.00 0.00 56.10 56.49 2aaj s TRP 114 Cb 0.36 -0.50 0.05 0.00 -1.15 0.00 0.00 33.47 32.22 2aaj s TRP 114 CO 0.15 -0.14 0.01 0.45 0.02 0.00 0.00 176.95 177.44 2aaj s SER 115 N 0.88 2.40 0.12 2.95 0.15 -1.26 -4.16 113.70 114.78 2aaj s SER 115 Ca -0.10 -0.52 0.25 0.00 0.70 0.00 0.00 55.95 56.28 2aaj s SER 115 Cb -0.13 -0.59 0.53 0.00 -1.71 0.00 0.00 66.02 64.12 2aaj s SER 115 CO -0.01 -0.25 1.48 0.49 1.20 0.00 0.00 173.24 176.16 2aaj n PHE 116 N 5.06 0.54 0.00 3.44 3.72 -1.25 -4.95 117.46 124.02 2aaj n PHE 116 Ca -0.09 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2aaj n PHE 116 Cb 0.48 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 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 1.36 1.53 2.47 1.37 0.00 -1.26 -5.03 105.19 105.63 2aaj n GLY 117 Ca 0.04 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.26 -1.35 -1.31 1.61 1.74 -1.26 -2.34 116.66 113.49 2aaj n ARG 118 Ca 0.00 1.06 -0.11 0.00 -0.77 0.00 0.00 57.85 58.03 2aaj n ARG 118 Cb 0.00 -5.43 -0.05 0.00 -1.02 0.00 0.00 32.46 25.96 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 -0.81 1.08 3.79 -0.13 0.00 -1.26 -4.97 105.19 102.89 2aaj n GLY 119 Ca -0.20 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.82 4.13 -1.00 1.61 0.52 -0.99 -5.04 118.95 115.36 2aaj s ARG 120 Ca 0.00 0.51 -0.14 0.00 -0.52 0.00 0.00 55.73 55.58 2aaj s ARG 120 Cb 0.00 -3.30 0.21 0.00 0.52 0.00 0.00 34.95 32.38 2aaj s ARG 120 CO 0.00 0.50 1.06 0.00 0.02 0.00 0.00 175.30 176.88 2aaj s ALA 121 N -0.52 4.08 0.41 2.13 0.00 -1.26 -3.88 121.76 122.72 2aaj s ALA 121 Ca 0.26 -3.35 0.26 0.00 0.00 0.00 0.00 51.96 49.13 2aaj s ALA 121 Cb -0.17 -3.76 1.41 0.00 0.00 0.00 0.00 23.12 20.59 2aaj s ALA 121 CO 0.14 -2.51 2.06 0.93 0.00 0.00 0.00 175.76 176.38 2aaj h GLU 122 N 7.60 0.00 0.00 0.00 3.07 -1.89 0.65 114.58 124.01 2aaj h GLU 122 Ca 0.18 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.91 2aaj h GLU 122 Cb 0.96 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.85 2aaj h GLU 122 CO 0.99 0.13 -0.62 0.74 -1.40 0.00 0.00 179.01 178.84 2aaj h PHE 123 N 0.00 0.00 0.03 4.33 0.04 -1.77 -1.29 116.94 118.28 2aaj h PHE 123 Ca -0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2aaj h PHE 123 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 2aaj h PHE 123 CO 0.00 0.62 -0.30 -0.07 -0.60 0.00 0.00 178.31 177.97 2aaj h LEU 124 N 0.00 0.10 -1.65 1.54 4.07 -1.16 -3.34 115.31 114.87 2aaj h LEU 124 Ca -0.01 -0.95 -0.04 0.00 0.08 0.00 0.00 57.88 56.96 2aaj h LEU 124 Cb 1.29 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 2aaj h LEU 124 CO 0.08 1.13 -0.19 0.71 -1.08 0.00 0.00 178.44 179.09 2aaj h THR 125 N -0.86 1.03 0.00 0.22 1.35 -1.15 -3.47 112.91 110.04 2aaj h THR 125 Ca -0.06 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2aaj h THR 125 Cb 1.17 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2aaj h THR 125 CO 0.02 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 2aaj n GLY 126 N -0.89 0.64 0.36 5.82 0.00 -0.56 -4.94 105.19 105.62 2aaj n GLY 126 Ca -0.02 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.69 1.61 3.32 -1.71 -3.42 116.42 111.53 2aaj h ASP 127 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 2aaj h ASP 127 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.36 2aaj h ASP 127 CO 0.00 0.00 -0.72 -0.76 -1.72 0.00 0.00 179.24 176.04 2aaj s LEU 128 N -7.62 2.35 0.00 1.55 1.43 -0.76 -5.02 118.68 110.61 2aaj s LEU 128 Ca -0.05 -0.71 0.25 0.00 -1.03 0.00 0.00 54.13 52.60 2aaj s LEU 128 Cb 0.16 -0.15 0.46 0.00 0.03 0.00 0.00 46.19 46.68 2aaj s LEU 128 CO 0.56 -0.29 1.41 0.52 0.23 0.00 0.00 176.35 178.78