#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tj3 s ARG 2 N 0.00 3.27 0.30 0.03 0.52 -1.26 -5.01 118.95 116.80 1tj3 s ARG 2 Ca 0.00 -0.18 0.25 0.00 -0.52 0.00 0.00 55.73 55.27 1tj3 s ARG 2 Cb 0.00 -2.48 0.57 0.00 0.52 0.00 0.00 34.95 33.56 1tj3 s ARG 2 CO 0.00 -0.23 1.67 -0.56 0.02 0.00 0.00 175.30 176.20 1tj3 h GLN 3 N 0.33 0.00 -3.63 3.54 3.07 -1.86 -3.46 115.11 113.10 1tj3 h GLN 3 Ca -0.47 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.03 1tj3 h GLN 3 Cb 1.23 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 28.50 1tj3 h GLN 3 CO 0.60 0.00 -0.69 -1.17 0.09 0.00 0.00 178.83 177.66 1tj3 s LEU 4 N -5.25 1.72 -0.44 0.06 2.96 -1.09 -4.79 118.68 111.86 1tj3 s LEU 4 Ca 0.09 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1tj3 s LEU 4 Cb 0.09 0.07 0.12 0.00 0.50 0.00 0.00 46.19 46.97 1tj3 s LEU 4 CO 0.64 -0.03 0.23 -0.22 -1.32 0.00 0.00 176.35 175.65 1tj3 s LEU 5 N 0.23 5.21 -0.31 -0.68 0.20 -0.04 -0.68 118.68 122.60 1tj3 s LEU 5 Ca -0.02 -2.19 -0.19 0.00 0.69 0.00 0.00 54.13 52.42 1tj3 s LEU 5 Cb -0.03 -1.82 -0.01 0.00 -0.43 0.00 0.00 46.19 43.91 1tj3 s LEU 5 CO -0.01 -0.50 0.57 -0.22 -0.29 0.00 0.00 176.35 175.90 1tj3 s LEU 6 N 0.91 4.19 -0.12 -0.68 0.20 -0.23 -1.44 118.68 121.51 1tj3 s LEU 6 Ca 0.10 0.29 0.03 0.00 0.69 0.00 0.00 54.13 55.24 1tj3 s LEU 6 Cb -0.22 -2.71 0.01 0.00 -0.43 0.00 0.00 46.19 42.83 1tj3 s LEU 6 CO -0.04 -0.45 -0.22 -0.63 -0.29 0.00 0.00 176.35 174.72 1tj3 s ILE 7 N 2.50 1.96 0.00 6.68 1.01 0.10 -0.98 121.20 132.46 1tj3 s ILE 7 Ca 0.22 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 1tj3 s ILE 7 Cb -0.15 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.61 1tj3 s ILE 7 CO 0.12 0.53 0.19 -0.55 0.00 0.00 0.00 174.94 175.23 1tj3 s SER 8 N 0.62 -0.03 0.60 3.58 0.15 -0.70 -1.00 113.70 116.92 1tj3 s SER 8 Ca -0.13 -0.14 -0.11 0.00 0.70 0.00 0.00 55.95 56.27 1tj3 s SER 8 Cb -0.17 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 1tj3 s SER 8 CO 0.03 -0.40 1.00 -0.62 1.20 0.00 0.00 173.24 174.45 1tj3 s ASP 9 N -1.41 6.26 -0.02 5.45 2.15 -0.97 -0.85 116.67 127.27 1tj3 s ASP 9 Ca -0.14 1.38 -0.02 0.00 0.43 0.00 0.00 52.55 54.20 1tj3 s ASP 9 Cb -0.07 -2.45 -0.01 0.00 -0.30 0.00 0.00 42.92 40.10 1tj3 s ASP 9 CO 0.02 -0.82 -0.04 0.18 -0.17 0.00 0.00 175.17 174.35 1tj3 n LEU 10 N -2.61 0.27 -4.73 -1.34 4.77 -1.26 -2.52 117.00 109.58 1tj3 n LEU 10 Ca 0.05 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 1tj3 n LEU 10 Cb 0.54 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1tj3 n LEU 10 CO 0.57 -0.49 1.34 0.47 -1.33 0.00 0.00 177.39 177.95 1tj3 n ASP 11 N -2.67 3.95 0.00 -1.43 9.92 -1.26 -0.01 116.55 125.05 1tj3 n ASP 11 Ca -0.01 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.33 1tj3 n ASP 11 Cb 0.05 -1.58 0.00 0.00 -0.64 0.00 0.00 41.12 38.95 1tj3 n ASP 11 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1tj3 n ASN 12 N 3.48 -2.16 0.00 -2.24 3.02 -0.42 -4.68 115.26 112.25 1tj3 n ASN 12 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1tj3 n ASN 12 Cb 0.35 -2.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.02 1tj3 n ASN 12 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1tj3 n THR 13 N -2.06 0.00 -0.01 3.41 -1.04 -0.93 -4.30 114.28 109.36 1tj3 n THR 13 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.85 1tj3 n THR 13 Cb 0.17 -0.60 -0.11 0.00 -1.82 0.00 0.00 70.33 67.96 1tj3 n THR 13 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1tj3 h TRP 14 N 0.00 0.46 -3.00 -1.42 2.91 -0.99 0.15 115.95 114.06 1tj3 h TRP 14 Ca 0.00 -0.26 -0.58 0.00 1.13 0.00 0.00 58.89 59.18 1tj3 h TRP 14 Cb 0.00 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 28.57 1tj3 h TRP 14 CO 0.00 1.08 -0.38 0.08 -1.03 0.00 0.00 178.44 178.19 1tj3 s VAL 15 N -3.10 5.25 0.00 2.65 1.01 0.98 -3.80 120.40 123.39 1tj3 s VAL 15 Ca -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1tj3 s VAL 15 Cb 0.02 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1tj3 s VAL 15 CO 0.79 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.52 1tj3 n GLY 16 N -0.04 4.28 3.07 4.51 0.00 -1.26 -1.31 105.19 114.44 1tj3 n GLY 16 Ca -0.04 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 1tj3 n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tj3 s ASP 17 N 0.00 5.00 0.27 1.61 -1.08 -1.26 -4.99 116.67 116.22 1tj3 s ASP 17 Ca 0.00 -2.39 -0.00 0.00 -0.52 0.00 0.00 52.55 49.64 1tj3 s ASP 17 Cb 0.00 -1.76 0.54 0.00 -1.46 0.00 0.00 42.92 40.24 1tj3 s ASP 17 CO 0.00 -0.42 1.80 -0.61 0.52 0.00 0.00 175.17 176.46 1tj3 h GLN 18 N 7.49 0.79 -0.51 4.34 5.75 -1.96 0.16 115.11 131.18 1tj3 h GLN 18 Ca -0.08 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.30 1tj3 h GLN 18 Cb 1.00 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 1tj3 h GLN 18 CO 0.66 0.53 0.02 0.37 -2.65 0.00 0.00 178.83 177.75 1tj3 h GLN 19 N 0.82 0.88 -0.01 1.69 4.15 -1.99 -1.19 115.11 119.46 1tj3 h GLN 19 Ca 0.48 -0.27 -0.13 0.00 0.77 0.00 0.00 58.65 59.50 1tj3 h GLN 19 Cb 0.56 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1tj3 h GLN 19 CO -0.30 0.90 -0.58 0.00 -1.93 0.00 0.00 178.83 176.92 1tj3 h ALA 20 N 0.95 1.02 -0.62 3.38 0.00 -1.76 -1.59 119.26 120.63 1tj3 h ALA 20 Ca 0.15 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1tj3 h ALA 20 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1tj3 h ALA 20 CO 0.02 0.73 0.01 1.25 0.00 0.00 0.00 179.25 181.25 1tj3 h LEU 21 N 0.02 1.07 -0.28 0.00 6.46 -0.44 -1.73 115.31 120.41 1tj3 h LEU 21 Ca -0.01 -0.30 -0.10 0.00 -0.12 0.00 0.00 57.88 57.35 1tj3 h LEU 21 Cb 1.04 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1tj3 h LEU 21 CO 0.08 1.11 -0.23 -0.33 -0.62 0.00 0.00 178.44 178.44 1tj3 h GLU 22 N 0.99 0.66 0.00 1.25 5.08 -0.85 -1.37 114.58 120.34 1tj3 h GLU 22 Ca 0.18 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1tj3 h GLU 22 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1tj3 h GLU 22 CO 0.03 0.93 0.00 1.12 -1.00 0.00 0.00 179.01 180.09 1tj3 h HIS 23 N 0.39 0.00 -0.16 4.33 2.07 -1.28 -0.01 115.15 120.49 1tj3 h HIS 23 Ca 0.05 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.42 1tj3 h HIS 23 Cb 0.79 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.77 1tj3 h HIS 23 CO 0.07 0.00 -0.50 1.25 -3.07 0.00 0.00 177.93 175.68 1tj3 h LEU 24 N 0.00 0.72 -0.68 6.12 5.85 -1.23 -2.56 115.31 123.53 1tj3 h LEU 24 Ca 0.00 -0.59 -0.14 0.00 0.84 0.00 0.00 57.88 57.98 1tj3 h LEU 24 Cb 0.86 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1tj3 h LEU 24 CO 0.00 1.19 -0.55 1.56 -0.34 0.00 0.00 178.44 180.29 1tj3 h GLN 25 N 0.29 0.31 -0.52 1.25 4.20 -1.02 -2.08 115.11 117.53 1tj3 h GLN 25 Ca -0.02 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1tj3 h GLN 25 Cb 1.12 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 1tj3 h GLN 25 CO 0.11 0.78 -0.01 1.49 -0.67 0.00 0.00 178.83 180.53 1tj3 h GLU 26 N 0.24 0.92 0.89 1.46 4.57 -1.00 0.86 114.58 122.51 1tj3 h GLU 26 Ca 0.00 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 57.84 1tj3 h GLU 26 Cb 1.05 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.56 1tj3 h GLU 26 CO 0.09 0.94 -0.44 -0.92 -1.18 0.00 0.00 179.01 177.50 1tj3 h TYR 27 N 0.78 -1.14 -0.25 0.92 3.20 -1.33 -2.55 116.97 116.60 1tj3 h TYR 27 Ca 0.14 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.06 1tj3 h TYR 27 Cb 0.54 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1tj3 h TYR 27 CO 0.04 -0.70 0.19 -0.07 -1.64 0.00 0.00 178.16 175.98 1tj3 h LEU 28 N -1.21 0.00 -1.94 2.82 3.38 -1.38 -1.74 115.31 115.24 1tj3 h LEU 28 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1tj3 h LEU 28 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1tj3 h LEU 28 CO 0.19 0.00 -0.06 1.23 0.09 0.00 0.00 178.44 179.89 1tj3 h GLY 29 N 0.00 0.00 -1.11 0.83 0.00 -0.39 -1.31 103.07 101.09 1tj3 h GLY 29 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1tj3 h GLY 29 CO -0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1tj3 n ASP 30 N -4.34 1.84 -1.54 0.19 8.00 -0.65 -3.79 116.55 116.25 1tj3 n ASP 30 Ca -0.03 -1.86 -0.01 0.00 0.71 0.00 0.00 54.79 53.61 1tj3 n ASP 30 Cb 0.15 -0.18 -0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1tj3 n ASP 30 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1tj3 n ARG 31 N 0.47 0.27 -0.28 -1.24 1.85 -0.83 -4.97 116.66 111.93 1tj3 n ARG 31 Ca 0.14 -1.74 0.22 0.00 -1.00 0.00 0.00 57.85 55.47 1tj3 n ARG 31 Cb 0.32 0.05 0.53 0.00 -1.05 0.00 0.00 32.46 32.31 1tj3 n ARG 31 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1tj3 h ARG 32 N 0.81 0.36 -0.03 2.89 9.65 -1.36 -1.27 114.38 125.43 1tj3 h ARG 32 Ca -0.36 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 1tj3 h ARG 32 Cb 1.62 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 30.12 1tj3 h ARG 32 CO -0.05 0.24 0.00 0.41 2.80 0.00 0.00 179.97 183.37 1tj3 n GLY 33 N -1.52 -0.65 1.04 2.80 0.00 -1.26 -3.73 105.19 101.86 1tj3 n GLY 33 Ca 0.22 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1tj3 n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tj3 n ASN 34 N -0.52 3.16 -3.69 1.61 3.02 -0.48 -4.90 115.26 113.46 1tj3 n ASN 34 Ca 0.17 -1.98 -0.14 0.00 -0.03 0.00 0.00 54.58 52.60 1tj3 n ASN 34 Cb 0.15 -0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 1tj3 n ASN 34 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1tj3 s PHE 35 N -1.74 -0.36 -0.09 3.10 -0.71 -1.24 -2.66 117.98 114.27 1tj3 s PHE 35 Ca 0.34 0.66 -0.15 0.00 -1.04 0.00 0.00 56.93 56.73 1tj3 s PHE 35 Cb 0.21 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 42.17 1tj3 s PHE 35 CO 0.31 -0.42 0.39 0.71 -1.34 0.00 0.00 175.22 174.87 1tj3 s TYR 36 N -1.01 3.58 -0.11 3.49 1.51 0.14 -4.97 117.35 119.97 1tj3 s TYR 36 Ca -0.11 0.84 -0.01 0.00 -1.01 0.00 0.00 57.07 56.78 1tj3 s TYR 36 Cb -0.04 -2.39 -0.02 0.00 -0.11 0.00 0.00 41.96 39.40 1tj3 s TYR 36 CO 0.05 0.37 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.61 1tj3 s LEU 37 N -0.06 3.05 -0.02 -1.29 2.96 -1.26 -1.07 118.68 120.99 1tj3 s LEU 37 Ca 0.22 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1tj3 s LEU 37 Cb -0.15 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1tj3 s LEU 37 CO 0.09 0.25 0.01 0.00 -1.32 0.00 0.00 176.35 175.38 1tj3 s ALA 38 N -0.13 0.23 -0.28 5.97 0.00 -0.15 0.07 121.76 127.47 1tj3 s ALA 38 Ca 0.01 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 1tj3 s ALA 38 Cb -0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1tj3 s ALA 38 CO 0.03 -0.06 0.18 0.71 0.00 0.00 0.00 175.76 176.61 1tj3 s TYR 39 N 0.90 3.20 -0.61 0.00 4.12 -1.07 -1.72 117.35 122.16 1tj3 s TYR 39 Ca -0.09 0.00 -0.07 0.00 0.02 0.00 0.00 57.07 56.93 1tj3 s TYR 39 Cb -0.12 -2.37 0.16 0.00 -1.52 0.00 0.00 41.96 38.11 1tj3 s TYR 39 CO -0.02 -0.21 0.48 0.00 0.02 0.00 0.00 175.55 175.82 1tj3 s ALA 40 N 1.73 3.62 0.29 3.71 0.00 -0.03 0.62 121.76 131.71 1tj3 s ALA 40 Ca 0.07 -3.01 0.09 0.00 0.00 0.00 0.00 51.96 49.11 1tj3 s ALA 40 Cb -0.16 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1tj3 s ALA 40 CO 0.10 -2.07 0.02 -0.08 0.00 0.00 0.00 175.76 173.73 1tj3 s THR 41 N 0.50 3.19 -2.41 0.00 -1.32 0.03 -3.84 115.64 111.79 1tj3 s THR 41 Ca 0.13 -1.90 0.24 0.00 -1.21 0.00 0.00 61.69 58.95 1tj3 s THR 41 Cb -0.20 -2.84 0.49 0.00 -1.51 0.00 0.00 72.50 68.44 1tj3 s THR 41 CO -0.04 -0.31 1.62 0.61 -2.21 0.00 0.00 174.62 174.29 1tj3 n GLY 42 N -0.94 0.24 3.91 6.08 0.00 -1.26 -0.58 105.19 112.64 1tj3 n GLY 42 Ca -0.05 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 1tj3 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tj3 s ARG 43 N -1.88 3.17 0.90 1.61 0.52 -1.26 -4.27 118.95 117.75 1tj3 s ARG 43 Ca 0.35 0.12 -0.12 0.00 -0.52 0.00 0.00 55.73 55.56 1tj3 s ARG 43 Cb 0.19 -2.29 0.13 0.00 0.52 0.00 0.00 34.95 33.51 1tj3 s ARG 43 CO 0.30 -0.53 1.13 -1.54 0.02 0.00 0.00 175.30 174.68 1tj3 s SER 44 N -4.23 3.55 0.15 0.23 1.04 -1.26 0.39 113.70 113.57 1tj3 s SER 44 Ca 0.52 1.00 -0.15 0.00 0.48 0.00 0.00 55.95 57.80 1tj3 s SER 44 Cb -0.10 -1.59 0.02 0.00 0.10 0.00 0.00 66.02 64.44 1tj3 s SER 44 CO 0.46 -2.53 1.70 0.22 0.98 0.00 0.00 173.24 174.07 1tj3 h TYR 45 N -1.48 0.70 -0.58 5.02 3.20 -1.96 -1.07 116.97 120.80 1tj3 h TYR 45 Ca -0.50 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.26 1tj3 h TYR 45 Cb 1.33 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1tj3 h TYR 45 CO 0.31 0.59 0.14 0.45 -1.64 0.00 0.00 178.16 178.00 1tj3 h HIS 46 N 0.60 0.97 -0.91 -3.82 3.86 -2.00 -1.21 115.15 112.64 1tj3 h HIS 46 Ca 0.15 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1tj3 h HIS 46 Cb 0.19 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 1tj3 h HIS 46 CO 0.00 0.83 0.58 1.03 0.86 0.00 0.00 177.93 181.23 1tj3 h SER 47 N 0.83 1.07 -0.44 2.45 0.87 -1.87 -1.67 113.55 114.79 1tj3 h SER 47 Ca 0.18 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1tj3 h SER 47 Cb 0.35 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1tj3 h SER 47 CO 0.00 0.79 0.04 0.00 -0.53 0.00 0.00 176.83 177.13 1tj3 h ALA 48 N 1.39 0.59 -0.78 6.23 0.00 -0.76 -2.12 119.26 123.81 1tj3 h ALA 48 Ca 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1tj3 h ALA 48 Cb -0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1tj3 h ALA 48 CO -0.07 0.34 0.50 0.00 0.00 0.00 0.00 179.25 180.02 1tj3 h ARG 49 N 0.60 1.05 0.25 0.00 2.47 -0.81 -0.63 114.38 117.32 1tj3 h ARG 49 Ca 0.13 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.78 1tj3 h ARG 49 Cb 0.44 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 1tj3 h ARG 49 CO 0.02 0.71 -0.33 0.93 0.56 0.00 0.00 179.97 181.86 1tj3 h GLU 50 N 1.07 -0.61 -0.83 0.04 3.07 -1.12 -1.75 114.58 114.45 1tj3 h GLU 50 Ca 0.28 0.04 0.15 0.00 -0.50 0.00 0.00 59.36 59.33 1tj3 h GLU 50 Cb -0.08 0.14 -0.10 0.00 -0.84 0.00 0.00 28.75 27.87 1tj3 h GLU 50 CO -0.06 -0.41 0.40 1.25 -1.40 0.00 0.00 179.01 178.80 1tj3 h LEU 51 N -0.64 0.46 -1.18 1.33 5.85 -0.98 0.21 115.31 120.36 1tj3 h LEU 51 Ca -0.00 0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.97 1tj3 h LEU 51 Cb 0.61 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 1tj3 h LEU 51 CO -0.11 0.18 0.60 -0.61 -0.34 0.00 0.00 178.44 178.17 1tj3 h GLN 52 N 0.57 0.73 -0.16 1.25 4.15 -0.27 -0.41 115.11 120.96 1tj3 h GLN 52 Ca 0.46 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.77 1tj3 h GLN 52 Cb 0.67 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1tj3 h GLN 52 CO -0.38 0.48 -0.15 0.87 -1.93 0.00 0.00 178.83 177.72 1tj3 h LYS 53 N 0.75 0.40 0.22 1.69 1.57 -0.01 0.20 116.57 121.38 1tj3 h LYS 53 Ca 0.50 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1tj3 h LYS 53 Cb 0.77 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1tj3 h LYS 53 CO -0.26 0.76 -0.37 1.96 -0.57 0.00 0.00 179.45 180.97 1tj3 h GLN 54 N 0.04 -0.64 -0.00 3.15 4.20 -0.19 -3.25 115.11 118.42 1tj3 h GLN 54 Ca 0.03 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1tj3 h GLN 54 Cb 0.68 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1tj3 h GLN 54 CO 0.04 -0.43 -0.81 1.33 -0.67 0.00 0.00 178.83 178.29 1tj3 n VAL 55 N -5.46 0.00 -2.22 -0.54 0.24 -0.61 -5.01 118.33 104.74 1tj3 n VAL 55 Ca -0.08 -0.02 -0.05 0.00 -2.04 0.00 0.00 64.34 62.16 1tj3 n VAL 55 Cb 0.36 0.78 0.02 0.00 -1.47 0.00 0.00 33.84 33.54 1tj3 n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tj3 n GLY 56 N 1.49 0.26 3.76 7.63 0.00 0.64 -5.00 105.19 113.97 1tj3 n GLY 56 Ca 0.05 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1tj3 n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tj3 s LEU 57 N -3.47 4.47 0.35 0.99 1.43 -0.89 -4.99 118.68 116.57 1tj3 s LEU 57 Ca 0.06 2.44 -0.27 0.00 -1.03 0.00 0.00 54.13 55.33 1tj3 s LEU 57 Cb -0.01 -3.67 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 1tj3 s LEU 57 CO 0.21 -0.34 1.14 0.00 0.23 0.00 0.00 176.35 177.60 1tj3 s MET 58 N -1.66 4.33 0.04 1.70 0.23 -1.26 -4.92 119.30 117.76 1tj3 s MET 58 Ca 0.47 1.83 -0.31 0.00 -1.03 0.00 0.00 55.69 56.65 1tj3 s MET 58 Cb -0.35 -2.90 -0.10 0.00 -1.53 0.00 0.00 34.83 29.95 1tj3 s MET 58 CO 0.46 -0.08 1.93 -1.91 -2.03 0.00 0.00 175.02 173.38 1tj3 n GLU 59 N 0.56 2.74 -2.72 3.16 4.07 -1.26 -4.98 120.64 122.20 1tj3 n GLU 59 Ca 0.02 1.00 -0.24 0.00 -0.06 0.00 0.00 57.16 57.88 1tj3 n GLU 59 Cb 0.46 -2.93 0.02 0.00 -0.06 0.00 0.00 31.44 28.93 1tj3 n GLU 59 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1tj3 s PRO 60 N 4.00 2.99 0.20 5.31 0.04 -1.26 -4.99 135.00 141.29 1tj3 s PRO 60 Ca 0.88 -0.29 0.11 0.00 0.04 0.00 0.00 61.00 61.74 1tj3 s PRO 60 Cb -0.49 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 1tj3 s PRO 60 CO 0.43 -0.47 1.37 -0.44 0.04 0.00 0.00 177.00 177.94 1tj3 h ASP 61 N 0.14 0.00 -5.21 6.66 3.32 -0.74 -3.47 116.42 117.12 1tj3 h ASP 61 Ca -0.46 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 1tj3 h ASP 61 Cb 1.26 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.67 1tj3 h ASP 61 CO 0.59 0.75 -0.38 -0.31 -1.72 0.00 0.00 179.24 178.16 1tj3 s TYR 62 N -2.87 0.29 -0.20 4.55 1.51 -0.72 -4.25 117.35 115.65 1tj3 s TYR 62 Ca 0.02 -0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1tj3 s TYR 62 Cb 0.09 -0.10 0.06 0.00 -0.11 0.00 0.00 41.96 41.90 1tj3 s TYR 62 CO 0.78 -0.60 -0.02 -1.58 -1.11 0.00 0.00 175.55 173.02 1tj3 s TRP 63 N -3.91 1.74 -0.87 2.71 0.52 -1.07 -2.61 118.94 115.46 1tj3 s TRP 63 Ca 0.10 -1.27 -0.12 0.00 0.02 0.00 0.00 56.10 54.83 1tj3 s TRP 63 Cb 0.05 -1.32 0.23 0.00 -1.15 0.00 0.00 33.47 31.28 1tj3 s TRP 63 CO -0.07 -0.68 0.81 -0.51 0.02 0.00 0.00 176.95 176.53 1tj3 s LEU 64 N 1.62 6.51 0.60 2.99 1.43 0.20 -1.40 118.68 130.63 1tj3 s LEU 64 Ca -0.03 -2.93 -0.00 0.00 -1.03 0.00 0.00 54.13 50.14 1tj3 s LEU 64 Cb -0.17 -2.17 0.05 0.00 0.03 0.00 0.00 46.19 43.93 1tj3 s LEU 64 CO -0.07 -0.48 0.84 0.42 0.23 0.00 0.00 176.35 177.29 1tj3 s THR 65 N -0.21 2.54 -1.55 5.49 -4.23 -0.60 -0.79 115.64 116.29 1tj3 s THR 65 Ca 0.21 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 60.06 1tj3 s THR 65 Cb -0.11 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.84 1tj3 s THR 65 CO -0.08 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.47 1tj3 n ALA 66 N -2.50 -1.73 -2.56 3.99 0.00 0.16 -0.69 120.51 117.18 1tj3 n ALA 66 Ca 0.09 -0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 1tj3 n ALA 66 Cb 0.60 -2.06 0.01 0.00 0.00 0.00 0.00 19.45 18.00 1tj3 n ALA 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tj3 n VAL 67 N -4.41 -1.19 -0.56 0.00 0.31 0.26 -1.75 118.33 110.99 1tj3 n VAL 67 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1tj3 n VAL 67 Cb 0.62 -2.80 0.00 0.00 -0.91 0.00 0.00 33.84 30.75 1tj3 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tj3 n GLY 68 N -1.18 0.76 0.30 2.92 0.00 0.14 -3.07 105.19 105.06 1tj3 n GLY 68 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1tj3 n GLY 68 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1tj3 h SER 69 N 0.00 0.94 -3.96 1.61 0.02 -0.45 -3.40 113.55 108.31 1tj3 h SER 69 Ca 0.00 -0.15 -0.42 0.00 -0.84 0.00 0.00 61.79 60.38 1tj3 h SER 69 Cb 0.00 -0.24 -0.30 0.00 0.14 0.00 0.00 62.40 62.00 1tj3 h SER 69 CO 0.00 0.83 -0.79 -1.61 -1.14 0.00 0.00 176.83 174.12 1tj3 s GLU 70 N -5.65 0.89 -0.17 3.45 2.02 -1.13 -4.86 118.70 113.24 1tj3 s GLU 70 Ca -0.13 -0.34 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 1tj3 s GLU 70 Cb 0.14 -0.85 -0.00 0.00 0.10 0.00 0.00 34.13 33.52 1tj3 s GLU 70 CO 0.81 0.18 -0.13 0.42 0.02 0.00 0.00 175.26 176.56 1tj3 s ILE 71 N -0.06 2.82 -0.24 -1.63 1.01 -1.26 -1.55 121.20 120.29 1tj3 s ILE 71 Ca 0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 1tj3 s ILE 71 Cb -0.06 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 1tj3 s ILE 71 CO -0.00 0.50 0.02 -0.31 0.00 0.00 0.00 174.94 175.15 1tj3 s TYR 72 N 0.99 3.04 0.73 3.97 1.51 -0.49 -0.25 117.35 126.85 1tj3 s TYR 72 Ca -0.02 -0.75 -0.06 0.00 -1.01 0.00 0.00 57.07 55.24 1tj3 s TYR 72 Cb -0.15 -2.18 0.10 0.00 -0.11 0.00 0.00 41.96 39.62 1tj3 s TYR 72 CO -0.02 -0.48 1.03 -1.01 -1.11 0.00 0.00 175.55 173.97 1tj3 s HIS 73 N 1.54 2.36 0.43 2.71 3.76 -0.08 -2.58 115.29 123.42 1tj3 s HIS 73 Ca 0.05 0.19 0.09 0.00 -0.15 0.00 0.00 55.06 55.24 1tj3 s HIS 73 Cb -0.15 -3.25 0.93 0.00 1.11 0.00 0.00 32.58 31.22 1tj3 s HIS 73 CO 0.00 -1.63 2.07 -1.35 -0.85 0.00 0.00 174.74 172.98 1tj3 h PRO 74 N -0.68 0.42 -0.02 8.40 0.11 -1.96 -1.62 132.00 136.65 1tj3 h PRO 74 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1tj3 h PRO 74 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1tj3 h PRO 74 CO 0.51 0.30 0.00 0.39 -0.21 0.00 0.00 178.00 178.98 1tj3 n GLU 75 N -4.47 1.46 0.00 1.05 4.71 -1.26 -5.03 120.64 117.09 1tj3 n GLU 75 Ca 0.02 -0.66 0.00 0.00 -0.01 0.00 0.00 57.16 56.50 1tj3 n GLU 75 Cb 0.08 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 1tj3 n GLU 75 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1tj3 n GLY 76 N 1.11 0.94 3.68 0.62 0.00 -0.61 -5.08 105.19 105.84 1tj3 n GLY 76 Ca 0.20 -2.14 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 1tj3 n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tj3 n LEU 77 N 0.00 3.28 -4.59 0.99 7.94 -1.26 -0.90 117.00 122.46 1tj3 n LEU 77 Ca 0.00 1.17 -0.43 0.00 -1.11 0.00 0.00 56.01 55.64 1tj3 n LEU 77 Cb 0.00 -1.45 -0.02 0.00 0.53 0.00 0.00 43.42 42.48 1tj3 n LEU 77 CO 0.00 -0.49 1.05 -0.62 -1.11 0.00 0.00 177.39 176.21 1tj3 s ASP 78 N 0.03 6.58 0.44 1.96 -1.08 0.65 -4.85 116.67 120.40 1tj3 s ASP 78 Ca 0.63 0.36 0.25 0.00 -0.52 0.00 0.00 52.55 53.26 1tj3 s ASP 78 Cb -0.61 -2.55 0.65 0.00 -1.46 0.00 0.00 42.92 38.94 1tj3 s ASP 78 CO 0.55 -1.33 1.71 -0.61 0.52 0.00 0.00 175.17 176.02 1tj3 h GLN 79 N 9.33 0.00 0.18 4.34 5.75 -1.90 -3.05 115.11 129.76 1tj3 h GLN 79 Ca -0.24 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.26 1tj3 h GLN 79 Cb 1.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.61 1tj3 h GLN 79 CO 1.15 0.12 -0.09 1.25 -2.65 0.00 0.00 178.83 178.61 1tj3 h HIS 80 N 0.00 -0.22 -0.77 3.99 2.76 -1.99 -2.18 115.15 116.73 1tj3 h HIS 80 Ca -0.00 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.28 1tj3 h HIS 80 Cb 0.90 0.07 -0.08 0.00 1.55 0.00 0.00 27.41 29.85 1tj3 h HIS 80 CO 0.00 0.13 0.38 2.35 -1.30 0.00 0.00 177.93 179.49 1tj3 h TRP 81 N -0.61 0.67 -0.71 5.26 2.91 -1.97 0.46 115.95 121.96 1tj3 h TRP 81 Ca -0.02 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.98 1tj3 h TRP 81 Cb 0.45 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 1tj3 h TRP 81 CO 0.04 0.19 0.26 0.00 -1.03 0.00 0.00 178.44 177.89 1tj3 h ALA 82 N 1.50 0.92 0.00 2.65 0.00 -1.49 0.08 119.26 122.92 1tj3 h ALA 82 Ca 0.40 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1tj3 h ALA 82 Cb 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1tj3 h ALA 82 CO -0.32 0.57 -0.30 -0.44 0.00 0.00 0.00 179.25 178.75 1tj3 h ASP 83 N 1.02 0.00 -0.11 0.00 3.32 -0.63 -1.63 116.42 118.39 1tj3 h ASP 83 Ca 0.23 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.14 1tj3 h ASP 83 Cb 0.25 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1tj3 h ASP 83 CO -0.01 0.30 -0.50 0.22 -1.72 0.00 0.00 179.24 177.53 1tj3 h TYR 84 N 0.00 0.71 0.00 4.55 5.03 -0.21 -3.17 116.97 123.88 1tj3 h TYR 84 Ca -0.00 -0.31 0.00 0.00 2.58 0.00 0.00 58.73 61.00 1tj3 h TYR 84 Cb 0.88 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.05 1tj3 h TYR 84 CO 0.00 1.08 0.00 -0.07 -1.32 0.00 0.00 178.16 177.85 1tj3 h LEU 85 N 0.13 0.00 -0.71 2.82 3.38 -0.90 -3.22 115.31 116.81 1tj3 h LEU 85 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1tj3 h LEU 85 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1tj3 h LEU 85 CO 0.10 0.00 -0.10 0.28 0.09 0.00 0.00 178.44 178.81 1tj3 h SER 86 N 0.00 0.00 -2.60 -0.43 0.02 -1.27 -3.41 113.55 105.86 1tj3 h SER 86 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1tj3 h SER 86 Cb 0.80 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.37 1tj3 h SER 86 CO 0.00 0.10 1.06 -1.61 -1.14 0.00 0.00 176.83 175.24 1tj3 s GLU 87 N -3.42 4.16 0.00 3.45 2.02 -1.22 -2.37 118.70 121.32 1tj3 s GLU 87 Ca 0.03 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.50 1tj3 s GLU 87 Cb 0.08 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.71 1tj3 s GLU 87 CO 0.63 -0.79 0.00 0.72 0.02 0.00 0.00 175.26 175.84 1tj3 n HIS 88 N 5.64 0.00 -3.03 1.61 8.25 -1.26 -4.95 115.22 121.48 1tj3 n HIS 88 Ca 0.17 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.22 1tj3 n HIS 88 Cb 0.39 -1.21 -0.05 0.00 1.12 0.00 0.00 29.99 30.25 1tj3 n HIS 88 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1tj3 s TRP 89 N -1.63 3.45 -0.52 4.41 -0.11 -1.00 -4.41 118.94 119.12 1tj3 s TRP 89 Ca 0.00 1.12 0.04 0.00 1.22 0.00 0.00 56.10 58.48 1tj3 s TRP 89 Cb 0.00 -2.87 0.16 0.00 -1.50 0.00 0.00 33.47 29.26 1tj3 s TRP 89 CO 0.00 -0.12 0.36 -0.65 -4.62 0.00 0.00 176.95 171.92 1tj3 s GLN 90 N 1.66 1.58 0.17 5.86 -0.21 -1.26 -4.98 119.66 122.48 1tj3 s GLN 90 Ca 0.34 -2.51 -0.18 0.00 0.02 0.00 0.00 55.36 53.03 1tj3 s GLN 90 Cb -0.17 -2.43 0.09 0.00 1.00 0.00 0.00 33.01 31.50 1tj3 s GLN 90 CO 0.13 -1.28 1.65 -0.09 -2.12 0.00 0.00 175.29 173.58 1tj3 h ARG 91 N 5.92 -0.08 -0.98 2.91 2.43 -1.94 -2.84 114.38 119.80 1tj3 h ARG 91 Ca 0.13 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.47 1tj3 h ARG 91 Cb 0.86 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.33 1tj3 h ARG 91 CO 0.53 -0.05 0.59 -0.44 -1.51 0.00 0.00 179.97 179.09 1tj3 h ASP 92 N -0.08 0.80 -0.12 -3.80 3.32 -1.96 0.81 116.42 115.38 1tj3 h ASP 92 Ca 0.19 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1tj3 h ASP 92 Cb 0.37 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1tj3 h ASP 92 CO -0.44 0.34 -0.14 0.40 -1.72 0.00 0.00 179.24 177.69 1tj3 h ILE 93 N 0.82 1.36 -0.74 0.35 2.04 -1.95 -1.49 117.51 117.91 1tj3 h ILE 93 Ca 0.53 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1tj3 h ILE 93 Cb 0.72 1.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 1tj3 h ILE 93 CO -0.34 0.38 0.49 -0.07 0.00 0.00 0.00 178.15 178.61 1tj3 h LEU 94 N -0.10 0.81 -0.36 1.44 3.38 -1.21 -1.92 115.31 117.35 1tj3 h LEU 94 Ca 0.02 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1tj3 h LEU 94 Cb 0.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1tj3 h LEU 94 CO 0.03 0.57 -0.32 -0.61 0.09 0.00 0.00 178.44 178.21 1tj3 h GLN 95 N 0.95 0.85 -0.43 1.13 4.15 -0.80 -0.77 115.11 120.19 1tj3 h GLN 95 Ca 0.28 -0.43 0.04 0.00 0.77 0.00 0.00 58.65 59.31 1tj3 h GLN 95 Cb -0.03 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 1tj3 h GLN 95 CO -0.07 1.08 0.19 0.00 -1.93 0.00 0.00 178.83 178.09 1tj3 h ALA 96 N 0.76 0.52 0.13 3.38 0.00 -0.65 0.37 119.26 123.76 1tj3 h ALA 96 Ca 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1tj3 h ALA 96 Cb 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1tj3 h ALA 96 CO 0.08 -0.18 -0.06 0.82 0.00 0.00 0.00 179.25 179.91 1tj3 h ILE 97 N 0.39 1.00 -0.39 0.00 2.04 -1.26 -3.07 117.51 116.21 1tj3 h ILE 97 Ca 0.19 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1tj3 h ILE 97 Cb 0.13 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1tj3 h ILE 97 CO -0.15 0.12 0.21 0.00 0.00 0.00 0.00 178.15 178.33 1tj3 h ALA 98 N 0.43 0.49 -0.03 1.87 0.00 -0.87 -1.75 119.26 119.39 1tj3 h ALA 98 Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1tj3 h ALA 98 Cb 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tj3 h ALA 98 CO 0.03 -0.15 0.18 -0.44 0.00 0.00 0.00 179.25 178.87 1tj3 h ASP 99 N 0.42 0.00 1.14 0.00 5.19 -0.28 -2.07 116.42 120.82 1tj3 h ASP 99 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1tj3 h ASP 99 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1tj3 h ASP 99 CO -0.10 0.00 0.00 1.23 -3.12 0.00 0.00 179.24 177.25 1tj3 h GLY 100 N 0.00 0.00 -5.41 2.75 0.00 -1.22 -3.43 103.07 95.76 1tj3 h GLY 100 Ca 0.01 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.76 1tj3 h GLY 100 CO -0.00 0.00 0.75 -1.36 0.00 0.00 0.00 176.54 175.93 1tj3 s PHE 101 N -3.32 3.27 0.45 5.60 0.08 -0.78 -4.91 117.98 118.38 1tj3 s PHE 101 Ca 0.06 1.31 0.12 0.00 0.12 0.00 0.00 56.93 58.53 1tj3 s PHE 101 Cb 0.10 -3.36 1.03 0.00 -0.57 0.00 0.00 43.02 40.21 1tj3 s PHE 101 CO 0.51 -0.56 2.06 1.05 -0.10 0.00 0.00 175.22 178.19 1tj3 h GLU 102 N 7.70 0.21 0.00 0.44 4.11 -1.89 -1.71 114.58 123.43 1tj3 h GLU 102 Ca -0.20 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1tj3 h GLU 102 Cb 1.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1tj3 h GLU 102 CO 0.98 0.20 0.00 0.00 0.07 0.00 0.00 179.01 180.25 1tj3 n ALA 103 N -2.51 2.01 -3.12 1.06 0.00 -1.26 -4.68 120.51 112.01 1tj3 n ALA 103 Ca -0.01 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 1tj3 n ALA 103 Cb 0.13 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.11 1tj3 n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tj3 s LEU 104 N -2.86 3.25 -0.10 0.00 1.43 -0.65 -1.17 118.68 118.57 1tj3 s LEU 104 Ca 0.13 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1tj3 s LEU 104 Cb 0.14 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1tj3 s LEU 104 CO 0.37 0.05 -0.13 -0.54 0.23 0.00 0.00 176.35 176.33 1tj3 s LYS 105 N 1.06 3.12 0.48 1.70 3.01 -0.81 -4.83 119.74 123.47 1tj3 s LYS 105 Ca 0.02 -0.68 -0.24 0.00 -1.01 0.00 0.00 55.97 54.06 1tj3 s LYS 105 Cb -0.14 -2.57 -0.07 0.00 -1.01 0.00 0.00 37.83 34.04 1tj3 s LYS 105 CO 0.02 0.35 1.41 -2.30 0.51 0.00 0.00 175.35 175.34 1tj3 n PRO 106 N 3.12 2.08 -2.06 -1.68 -0.02 -1.26 -0.39 135.00 134.78 1tj3 n PRO 106 Ca -0.18 0.75 -0.28 0.00 -2.02 0.00 0.00 63.50 61.77 1tj3 n PRO 106 Cb 0.53 -2.61 0.13 0.00 -0.02 0.00 0.00 33.50 31.52 1tj3 n PRO 106 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1tj3 s GLN 107 N -2.58 1.41 0.42 -0.52 -0.21 -0.68 -4.75 119.66 112.75 1tj3 s GLN 107 Ca 0.64 -0.34 -0.23 0.00 0.02 0.00 0.00 55.36 55.45 1tj3 s GLN 107 Cb -0.44 -2.00 -0.12 0.00 1.00 0.00 0.00 33.01 31.45 1tj3 s GLN 107 CO 0.55 -1.85 0.72 0.45 -2.12 0.00 0.00 175.29 173.04 1tj3 n SER 108 N -3.37 -0.09 -0.08 5.90 2.88 -1.26 -4.84 113.62 112.76 1tj3 n SER 108 Ca 0.12 0.95 0.13 0.00 -1.33 0.00 0.00 58.87 58.74 1tj3 n SER 108 Cb 0.60 -1.20 0.52 0.00 -0.75 0.00 0.00 64.21 63.38 1tj3 n SER 108 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1tj3 h PRO 109 N 1.04 0.36 0.00 -1.46 0.11 -1.97 0.50 132.00 130.58 1tj3 h PRO 109 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1tj3 h PRO 109 Cb 1.38 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1tj3 h PRO 109 CO 0.53 0.24 0.00 1.28 -0.21 0.00 0.00 178.00 179.84 1tj3 n LEU 110 N -4.46 0.00 -0.51 2.35 4.77 -1.26 -1.50 117.00 116.38 1tj3 n LEU 110 Ca 0.10 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1tj3 n LEU 110 Cb 0.40 -0.09 0.13 0.00 -2.33 0.00 0.00 43.42 41.53 1tj3 n LEU 110 CO 0.34 -0.04 0.47 -0.62 -1.33 0.00 0.00 177.39 176.21 1tj3 n GLU 111 N -1.09 1.33 -3.72 3.23 -0.58 0.16 -4.84 120.64 115.13 1tj3 n GLU 111 Ca 0.13 -1.03 -0.20 0.00 -0.42 0.00 0.00 57.16 55.64 1tj3 n GLU 111 Cb 0.09 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.47 1tj3 n GLU 111 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1tj3 s GLN 112 N -2.38 3.31 0.14 3.49 -1.52 -0.56 -4.69 119.66 117.44 1tj3 s GLN 112 Ca 0.22 -0.83 -0.25 0.00 -1.95 0.00 0.00 55.36 52.56 1tj3 s GLN 112 Cb 0.19 -2.84 0.07 0.00 -0.22 0.00 0.00 33.01 30.20 1tj3 s GLN 112 CO 0.50 0.26 0.79 0.54 -0.25 0.00 0.00 175.29 177.13 1tj3 s ASN 113 N -4.06 -0.35 0.58 5.90 2.20 -1.08 -4.98 114.94 113.15 1tj3 s ASN 113 Ca 0.39 -0.23 0.35 0.00 -0.94 0.00 0.00 52.86 52.43 1tj3 s ASN 113 Cb -0.09 0.54 1.38 0.00 -2.00 0.00 0.00 41.25 41.08 1tj3 s ASN 113 CO 0.30 -0.94 1.60 -0.65 -2.94 0.00 0.00 177.10 174.47 1tj3 h PRO 114 N 2.00 0.00 -0.01 3.55 0.11 -1.99 -0.63 132.00 135.03 1tj3 h PRO 114 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1tj3 h PRO 114 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1tj3 h PRO 114 CO 0.30 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.00 1tj3 n TRP 115 N -3.72 0.02 -3.58 0.65 8.01 -1.26 -4.81 117.44 112.74 1tj3 n TRP 115 Ca 0.26 -0.91 -0.17 0.00 -1.31 0.00 0.00 57.50 55.37 1tj3 n TRP 115 Cb 1.41 -0.14 -0.14 0.00 -2.01 0.00 0.00 31.31 30.44 1tj3 n TRP 115 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1tj3 s LYS 116 N -2.55 0.13 -0.35 -0.99 2.20 -0.24 -4.16 119.74 113.78 1tj3 s LYS 116 Ca 0.27 0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 56.25 1tj3 s LYS 116 Cb 0.23 -0.71 0.07 0.00 -1.51 0.00 0.00 37.83 35.91 1tj3 s LYS 116 CO 0.03 -0.48 0.12 0.42 -0.36 0.00 0.00 175.35 175.07 1tj3 s ILE 117 N 2.33 3.44 0.05 5.43 1.01 -0.78 -2.63 121.20 130.05 1tj3 s ILE 117 Ca 0.04 -1.50 0.05 0.00 0.00 0.00 0.00 60.65 59.25 1tj3 s ILE 117 Cb -0.14 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1tj3 s ILE 117 CO -0.09 -0.34 -0.09 -0.44 0.00 0.00 0.00 174.94 173.98 1tj3 s SER 118 N 1.56 4.46 0.33 3.58 0.01 -1.26 -0.42 113.70 121.97 1tj3 s SER 118 Ca 0.00 -0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.06 1tj3 s SER 118 Cb -0.21 -0.94 -0.02 0.00 0.21 0.00 0.00 66.02 65.06 1tj3 s SER 118 CO -0.00 0.24 0.22 -1.22 0.41 0.00 0.00 173.24 172.88 1tj3 n TYR 119 N 1.20 -0.47 -4.59 2.43 4.02 0.20 -1.69 117.16 118.26 1tj3 n TYR 119 Ca -0.14 -2.57 -0.25 0.00 -0.01 0.00 0.00 57.90 54.94 1tj3 n TYR 119 Cb 0.52 0.18 -0.17 0.00 -0.02 0.00 0.00 39.34 39.86 1tj3 n TYR 119 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1tj3 s HIS 120 N -3.18 1.45 0.09 -0.72 3.76 0.47 -1.85 115.29 115.32 1tj3 s HIS 120 Ca 0.32 -0.52 -0.24 0.00 -0.15 0.00 0.00 55.06 54.46 1tj3 s HIS 120 Cb 0.02 -1.06 -0.06 0.00 1.11 0.00 0.00 32.58 32.58 1tj3 s HIS 120 CO 0.22 -0.27 0.75 -1.17 -0.85 0.00 0.00 174.74 173.42 1tj3 s LEU 121 N 0.62 4.51 0.03 0.89 2.96 0.68 -1.92 118.68 126.45 1tj3 s LEU 121 Ca -0.14 1.50 -0.30 0.00 -0.22 0.00 0.00 54.13 54.97 1tj3 s LEU 121 Cb -0.15 -3.21 -0.08 0.00 0.50 0.00 0.00 46.19 43.24 1tj3 s LEU 121 CO 0.04 0.11 1.82 -0.62 -1.32 0.00 0.00 176.35 176.38 1tj3 s ASP 122 N -0.56 6.53 0.57 3.68 -1.08 -0.32 -4.85 116.67 120.63 1tj3 s ASP 122 Ca 0.36 2.54 0.35 0.00 -0.52 0.00 0.00 52.55 55.28 1tj3 s ASP 122 Cb -0.21 -2.54 1.46 0.00 -1.46 0.00 0.00 42.92 40.16 1tj3 s ASP 122 CO 0.24 -0.99 1.73 -0.65 0.52 0.00 0.00 175.17 176.02 1tj3 h PRO 123 N 9.69 0.00 -0.02 4.34 0.11 -1.93 0.77 132.00 144.97 1tj3 h PRO 123 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1tj3 h PRO 123 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1tj3 h PRO 123 CO 0.94 0.00 -0.13 1.04 -0.21 0.00 0.00 178.00 179.65 1tj3 n GLN 124 N -3.90 1.86 -2.93 1.05 6.02 -1.26 -4.95 117.38 113.28 1tj3 n GLN 124 Ca 0.23 -1.46 -0.32 0.00 -0.01 0.00 0.00 57.00 55.44 1tj3 n GLN 124 Cb 1.22 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.97 1tj3 n GLN 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1tj3 s ALA 125 N -2.14 3.29 -0.22 -1.58 0.00 0.27 -5.02 121.76 116.35 1tj3 s ALA 125 Ca 0.27 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.93 1tj3 s ALA 125 Cb 0.20 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1tj3 s ALA 125 CO 0.38 0.12 1.01 0.00 0.00 0.00 0.00 175.76 177.28 1tj3 h PRO 127 N 7.43 0.15 0.00 0.00 0.11 -1.95 0.17 132.00 137.91 1tj3 h PRO 127 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1tj3 h PRO 127 Cb 1.07 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1tj3 h PRO 127 CO 0.95 0.10 0.27 1.79 -0.21 0.00 0.00 178.00 180.90 1tj3 h THR 128 N 0.15 0.00 -0.32 -1.15 1.35 -2.02 0.23 112.91 111.14 1tj3 h THR 128 Ca 0.68 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.50 1tj3 h THR 128 Cb 2.25 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 1tj3 h THR 128 CO -0.21 0.00 0.06 1.62 -0.25 0.00 0.00 175.52 176.75 1tj3 h VAL 129 N 0.00 1.16 -0.94 6.82 3.04 -1.35 -1.55 116.25 123.43 1tj3 h VAL 129 Ca 0.00 -0.58 0.04 0.00 -1.01 0.00 0.00 66.70 65.15 1tj3 h VAL 129 Cb 0.53 0.85 -0.06 0.00 -2.01 0.00 0.00 31.29 30.60 1tj3 h VAL 129 CO 0.00 0.21 0.61 0.40 -1.01 0.00 0.00 177.57 177.78 1tj3 h ILE 130 N 0.47 1.14 -0.31 3.17 1.08 -0.77 0.13 117.51 122.42 1tj3 h ILE 130 Ca 0.11 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 1tj3 h ILE 130 Cb 0.21 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.83 1tj3 h ILE 130 CO -0.00 0.21 0.18 0.44 -0.69 0.00 0.00 178.15 178.28 1tj3 h ASP 131 N 1.15 0.39 -0.52 1.72 3.32 -1.43 -0.04 116.42 121.01 1tj3 h ASP 131 Ca 0.38 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.37 1tj3 h ASP 131 Cb 0.06 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1tj3 h ASP 131 CO -0.12 0.36 0.32 1.56 -1.72 0.00 0.00 179.24 179.63 1tj3 h GLN 132 N 0.39 0.61 0.42 3.56 4.20 -0.95 -1.26 115.11 122.08 1tj3 h GLN 132 Ca 0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1tj3 h GLN 132 Cb 0.05 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1tj3 h GLN 132 CO -0.02 0.40 -0.26 1.25 -0.67 0.00 0.00 178.83 179.54 1tj3 h LEU 133 N 0.63 -0.64 -0.14 1.46 5.85 -0.42 -1.13 115.31 120.91 1tj3 h LEU 133 Ca 0.21 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1tj3 h LEU 133 Cb 0.02 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1tj3 h LEU 133 CO -0.09 -0.41 -0.49 0.74 -0.34 0.00 0.00 178.44 177.85 1tj3 h THR 134 N -0.64 0.06 -0.57 1.05 2.02 -0.71 0.11 112.91 114.23 1tj3 h THR 134 Ca -0.05 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.24 1tj3 h THR 134 Cb 0.53 0.06 -0.08 0.00 -1.74 0.00 0.00 68.15 66.91 1tj3 h THR 134 CO 0.05 0.00 0.09 -0.08 0.37 0.00 0.00 175.52 175.95 1tj3 h GLU 135 N -0.54 0.21 -0.68 6.66 4.81 -1.20 0.24 114.58 124.08 1tj3 h GLU 135 Ca 0.05 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1tj3 h GLU 135 Cb 0.66 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1tj3 h GLU 135 CO -0.43 0.14 0.35 1.98 -0.73 0.00 0.00 179.01 180.32 1tj3 h MET 136 N 0.22 0.97 -0.19 1.92 4.05 -0.35 -2.22 114.93 119.32 1tj3 h MET 136 Ca 0.30 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.54 1tj3 h MET 136 Cb 0.44 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1tj3 h MET 136 CO -0.41 0.75 -0.06 -0.07 0.23 0.00 0.00 176.91 177.35 1tj3 h LEU 137 N 0.94 0.38 -1.00 3.39 3.38 0.17 -3.11 115.31 119.46 1tj3 h LEU 137 Ca 0.24 -0.38 0.12 0.00 0.09 0.00 0.00 57.88 57.94 1tj3 h LEU 137 Cb 0.08 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 1tj3 h LEU 137 CO -0.03 0.68 0.63 0.11 0.09 0.00 0.00 178.44 179.92 1tj3 h LYS 138 N 0.08 0.98 0.00 1.13 1.79 -0.43 -1.26 116.57 118.85 1tj3 h LYS 138 Ca 0.05 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1tj3 h LYS 138 Cb 0.52 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1tj3 h LYS 138 CO 0.02 0.65 0.00 0.39 -1.08 0.00 0.00 179.45 179.43 1tj3 n GLU 139 N -4.61 0.16 0.22 3.15 1.02 -0.85 -1.74 120.64 117.99 1tj3 n GLU 139 Ca 0.19 0.53 0.09 0.00 -0.02 0.00 0.00 57.16 57.95 1tj3 n GLU 139 Cb 0.34 -1.90 0.50 0.00 -0.02 0.00 0.00 31.44 30.36 1tj3 n GLU 139 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1tj3 h THR 140 N 0.00 0.72 0.00 2.62 1.35 -1.29 -3.46 112.91 112.85 1tj3 h THR 140 Ca 0.00 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1tj3 h THR 140 Cb 0.16 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1tj3 h THR 140 CO 0.00 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 1tj3 n GLY 141 N -0.15 0.99 3.67 5.82 0.00 -0.71 -5.03 105.19 109.78 1tj3 n GLY 141 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1tj3 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tj3 s ILE 142 N -2.52 4.75 -0.85 -0.61 1.01 -1.26 -4.91 121.20 116.81 1tj3 s ILE 142 Ca 0.00 1.97 -0.22 0.00 0.00 0.00 0.00 60.65 62.40 1tj3 s ILE 142 Cb 0.00 -4.29 -0.20 0.00 0.01 0.00 0.00 42.46 37.98 1tj3 s ILE 142 CO 0.00 -0.07 1.89 -0.81 0.00 0.00 0.00 174.94 175.95 1tj3 n PRO 143 N 5.62 0.07 -4.12 2.79 -0.04 -1.26 -4.81 135.00 133.24 1tj3 n PRO 143 Ca 0.09 -1.37 -0.27 0.00 -0.04 0.00 0.00 63.50 61.91 1tj3 n PRO 143 Cb 0.48 -3.36 -0.07 0.00 -0.04 0.00 0.00 33.50 30.51 1tj3 n PRO 143 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1tj3 s VAL 144 N 13.98 4.18 -0.07 0.52 0.11 -1.26 -0.55 120.40 137.31 1tj3 s VAL 144 Ca 0.66 -1.14 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1tj3 s VAL 144 Cb -0.03 -3.09 0.02 0.00 -1.53 0.00 0.00 36.38 31.75 1tj3 s VAL 144 CO 0.16 -0.05 -0.07 -1.58 -3.33 0.00 0.00 175.10 170.24 1tj3 s GLN 145 N -2.84 1.21 -0.29 1.54 0.74 0.18 -4.61 119.66 115.58 1tj3 s GLN 145 Ca 0.29 -0.20 -0.10 0.00 0.05 0.00 0.00 55.36 55.40 1tj3 s GLN 145 Cb -0.10 -1.19 -0.02 0.00 1.10 0.00 0.00 33.01 32.79 1tj3 s GLN 145 CO 0.21 -0.12 0.16 0.08 -0.55 0.00 0.00 175.29 175.06 1tj3 s VAL 146 N 1.16 4.81 -0.18 1.34 1.01 -1.26 -1.08 120.40 126.19 1tj3 s VAL 146 Ca -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1tj3 s VAL 146 Cb -0.14 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1tj3 s VAL 146 CO -0.01 0.16 -0.07 -0.63 0.00 0.00 0.00 175.10 174.55 1tj3 s ILE 147 N 1.67 3.36 -0.17 2.22 1.01 0.23 -4.94 121.20 124.57 1tj3 s ILE 147 Ca 0.06 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1tj3 s ILE 147 Cb -0.16 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 39.85 1tj3 s ILE 147 CO 0.07 0.46 -0.16 0.12 0.00 0.00 0.00 174.94 175.44 1tj3 s PHE 148 N 0.97 2.51 0.04 3.97 5.99 -1.25 0.21 117.98 130.41 1tj3 s PHE 148 Ca -0.01 -1.50 0.03 0.00 0.00 0.00 0.00 56.93 55.45 1tj3 s PHE 148 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 43.02 41.10 1tj3 s PHE 148 CO 0.00 -0.75 -0.09 -1.54 -0.00 0.00 0.00 175.22 172.84 1tj3 s SER 149 N 1.37 1.01 -1.83 6.13 1.04 -0.11 -4.40 113.70 116.92 1tj3 s SER 149 Ca 0.03 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1tj3 s SER 149 Cb -0.14 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1tj3 s SER 149 CO -0.11 -0.12 0.00 -1.20 0.98 0.00 0.00 173.24 172.79 1tj3 n SER 150 N 1.72 -5.58 -2.08 7.02 7.64 -1.26 -0.94 113.62 120.13 1tj3 n SER 150 Ca -0.20 0.15 -0.10 0.00 1.01 0.00 0.00 58.87 59.72 1tj3 n SER 150 Cb 0.55 -4.68 -0.02 0.00 -1.01 0.00 0.00 64.21 59.05 1tj3 n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tj3 n GLY 151 N -0.86 -0.03 0.53 0.23 0.00 -1.26 -4.59 105.19 99.21 1tj3 n GLY 151 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1tj3 n GLY 151 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tj3 n LYS 152 N -2.41 0.00 -3.07 1.61 4.81 -0.89 -4.85 118.16 113.35 1tj3 n LYS 152 Ca -0.12 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.93 1tj3 n LYS 152 Cb 0.51 -0.24 -0.05 0.00 0.02 0.00 0.00 35.03 35.28 1tj3 n LYS 152 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1tj3 s ASP 153 N -2.72 6.99 -0.12 3.14 1.01 -0.12 -0.23 116.67 124.62 1tj3 s ASP 153 Ca 0.00 1.19 0.03 0.00 0.71 0.00 0.00 52.55 54.47 1tj3 s ASP 153 Cb 0.00 -2.40 0.01 0.00 1.01 0.00 0.00 42.92 41.53 1tj3 s ASP 153 CO 0.00 -0.07 -0.21 -0.69 0.21 0.00 0.00 175.17 174.41 1tj3 s VAL 154 N 0.59 1.89 -0.07 -1.27 1.01 -0.77 -0.94 120.40 120.84 1tj3 s VAL 154 Ca 0.36 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1tj3 s VAL 154 Cb -0.18 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1tj3 s VAL 154 CO 0.18 0.52 -0.18 -1.81 0.00 0.00 0.00 175.10 173.81 1tj3 s ASP 155 N 0.71 2.34 -0.39 3.32 1.01 0.13 -0.63 116.67 123.17 1tj3 s ASP 155 Ca -0.11 -0.40 -0.10 0.00 0.71 0.00 0.00 52.55 52.65 1tj3 s ASP 155 Cb -0.16 -0.96 0.05 0.00 1.01 0.00 0.00 42.92 42.86 1tj3 s ASP 155 CO 0.01 0.11 0.22 -0.76 0.21 0.00 0.00 175.17 174.96 1tj3 s LEU 156 N 0.38 4.85 0.29 1.23 1.02 0.45 -0.60 118.68 126.30 1tj3 s LEU 156 Ca -0.13 -1.21 0.08 0.00 0.02 0.00 0.00 54.13 52.90 1tj3 s LEU 156 Cb -0.15 -2.00 -0.06 0.00 0.02 0.00 0.00 46.19 44.00 1tj3 s LEU 156 CO 0.05 -0.44 -0.10 -0.76 0.02 0.00 0.00 176.35 175.12 1tj3 s LEU 157 N 1.49 2.58 0.71 1.79 1.43 -0.24 -1.87 118.68 124.56 1tj3 s LEU 157 Ca 0.02 -1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 51.83 1tj3 s LEU 157 Cb -0.21 -0.81 0.03 0.00 0.03 0.00 0.00 46.19 45.23 1tj3 s LEU 157 CO 0.05 -0.22 1.13 -2.84 0.23 0.00 0.00 176.35 174.70 1tj3 s PRO 158 N -3.65 2.45 0.44 1.29 0.02 -1.26 0.48 135.00 134.77 1tj3 s PRO 158 Ca 0.29 1.47 0.13 0.00 0.02 0.00 0.00 61.00 62.91 1tj3 s PRO 158 Cb 0.01 -1.90 0.98 0.00 0.02 0.00 0.00 34.50 33.62 1tj3 s PRO 158 CO 0.13 -1.54 2.00 0.37 -0.33 0.00 0.00 177.00 177.63 1tj3 h GLN 159 N -0.32 0.09 0.00 5.54 4.15 -1.08 -1.58 115.11 121.91 1tj3 h GLN 159 Ca -0.46 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 1tj3 h GLN 159 Cb 1.26 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 1tj3 h GLN 159 CO 0.52 0.21 -0.05 0.00 -1.93 0.00 0.00 178.83 177.57 1tj3 h ARG 160 N 0.09 0.00 0.00 1.69 3.08 -1.90 -3.44 114.38 113.90 1tj3 h ARG 160 Ca 0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 1tj3 h ARG 160 Cb 0.26 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.37 1tj3 h ARG 160 CO 0.02 0.05 0.11 0.45 -1.07 0.00 0.00 179.97 179.53 1tj3 n SER 161 N -3.13 -0.31 0.00 7.04 2.88 -0.60 -4.63 113.62 114.88 1tj3 n SER 161 Ca 0.02 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 1tj3 n SER 161 Cb 0.45 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1tj3 n SER 161 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1tj3 n ASN 162 N -3.35 0.00 0.08 -3.46 4.05 -1.20 -4.51 115.26 106.86 1tj3 n ASN 162 Ca 0.05 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 55.02 1tj3 n ASN 162 Cb 0.19 0.00 0.08 0.00 1.23 0.00 0.00 39.78 41.28 1tj3 n ASN 162 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 1tj3 h LYS 163 N 0.00 0.27 -0.10 1.20 1.57 -1.80 -2.29 116.57 115.42 1tj3 h LYS 163 Ca 0.00 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 1tj3 h LYS 163 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1tj3 h LYS 163 CO 0.00 0.84 -0.30 0.78 -0.57 0.00 0.00 179.45 180.21 1tj3 h GLY 164 N 1.49 0.41 1.44 3.86 0.00 -1.90 -0.39 103.07 107.98 1tj3 h GLY 164 Ca -0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 1tj3 h GLY 164 CO 0.11 0.48 0.06 3.43 0.00 0.00 0.00 176.54 180.61 1tj3 h ASN 165 N -0.07 0.65 -0.41 0.19 2.35 -1.79 0.99 115.58 117.49 1tj3 h ASN 165 Ca -0.01 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1tj3 h ASN 165 Cb 0.92 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1tj3 h ASN 165 CO 0.06 0.69 -0.01 0.00 -1.65 0.00 0.00 177.43 176.52 1tj3 h ALA 166 N 1.40 0.56 -0.07 -0.83 0.00 -1.39 -1.25 119.26 117.67 1tj3 h ALA 166 Ca 0.14 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1tj3 h ALA 166 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1tj3 h ALA 166 CO 0.01 0.35 -0.06 1.15 0.00 0.00 0.00 179.25 180.70 1tj3 h THR 167 N 0.57 0.83 -0.88 0.00 2.02 -0.24 0.49 112.91 115.70 1tj3 h THR 167 Ca 0.12 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.35 1tj3 h THR 167 Cb 0.49 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 1tj3 h THR 167 CO 0.02 0.00 0.55 1.56 0.37 0.00 0.00 175.52 178.03 1tj3 h GLN 168 N -0.07 1.00 -0.30 6.66 4.20 -0.72 0.55 115.11 126.44 1tj3 h GLN 168 Ca 0.05 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1tj3 h GLN 168 Cb 0.13 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1tj3 h GLN 168 CO -0.11 0.66 0.11 -0.92 -0.67 0.00 0.00 178.83 177.90 1tj3 h TYR 169 N 1.03 0.20 -0.79 2.96 3.20 -0.62 -1.63 116.97 121.32 1tj3 h TYR 169 Ca 0.37 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 1tj3 h TYR 169 Cb 0.12 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1tj3 h TYR 169 CO -0.02 0.10 0.42 1.25 -1.64 0.00 0.00 178.16 178.26 1tj3 h LEU 170 N 0.25 1.00 -1.30 2.82 5.85 0.16 -0.67 115.31 123.43 1tj3 h LEU 170 Ca 0.13 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1tj3 h LEU 170 Cb 0.09 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1tj3 h LEU 170 CO -0.13 0.83 0.27 1.56 -0.34 0.00 0.00 178.44 180.64 1tj3 h GLN 171 N 1.10 0.75 -0.12 1.25 4.20 -0.41 0.53 115.11 122.42 1tj3 h GLN 171 Ca 0.28 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1tj3 h GLN 171 Cb 0.06 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1tj3 h GLN 171 CO -0.04 0.58 -0.04 1.96 -0.67 0.00 0.00 178.83 180.61 1tj3 h GLN 172 N 0.76 0.23 -0.27 1.46 4.20 -0.59 0.19 115.11 121.08 1tj3 h GLN 172 Ca 0.19 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.84 1tj3 h GLN 172 Cb 0.06 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1tj3 h GLN 172 CO -0.03 0.55 0.10 1.25 -0.67 0.00 0.00 178.83 180.03 1tj3 h HIS 173 N -0.10 0.17 -0.00 2.96 2.76 -0.53 -2.73 115.15 117.68 1tj3 h HIS 173 Ca 0.03 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1tj3 h HIS 173 Cb 0.47 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1tj3 h HIS 173 CO 0.06 0.08 -0.19 1.28 -1.30 0.00 0.00 177.93 177.85 1tj3 n LEU 174 N -5.03 0.31 -2.94 0.26 4.77 0.12 -4.94 117.00 109.56 1tj3 n LEU 174 Ca -0.01 0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.96 1tj3 n LEU 174 Cb 0.10 -0.32 0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1tj3 n LEU 174 CO 0.29 0.07 0.16 0.00 -1.33 0.00 0.00 177.39 176.58 1tj3 n ALA 175 N -1.32 -1.02 -2.86 -1.18 0.00 0.45 -4.23 120.51 110.35 1tj3 n ALA 175 Ca 0.09 0.32 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 1tj3 n ALA 175 Cb 0.32 -4.36 -0.04 0.00 0.00 0.00 0.00 19.45 15.36 1tj3 n ALA 175 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1tj3 s MET 176 N -5.95 3.48 0.27 0.00 1.00 0.08 -4.76 119.30 113.42 1tj3 s MET 176 Ca 0.43 -0.31 -0.03 0.00 0.00 0.00 0.00 55.69 55.78 1tj3 s MET 176 Cb -0.19 -3.04 -0.05 0.00 0.00 0.00 0.00 34.83 31.55 1tj3 s MET 176 CO 0.53 0.62 0.51 -1.21 0.00 0.00 0.00 175.02 175.47 1tj3 s GLU 177 N -2.25 3.59 0.37 2.03 0.41 -1.26 -4.65 118.70 116.93 1tj3 s GLU 177 Ca 0.32 -0.11 0.05 0.00 -0.41 0.00 0.00 54.97 54.82 1tj3 s GLU 177 Cb -0.13 -2.70 0.73 0.00 -1.78 0.00 0.00 34.13 30.24 1tj3 s GLU 177 CO 0.23 0.27 1.99 -1.35 -0.49 0.00 0.00 175.26 175.91 1tj3 h PRO 178 N 1.74 0.74 0.00 0.39 0.11 -1.93 0.55 132.00 133.60 1tj3 h PRO 178 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1tj3 h PRO 178 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1tj3 h PRO 178 CO 0.66 0.49 0.00 0.66 -0.21 0.00 0.00 178.00 179.60 1tj3 h SER 179 N 0.76 0.00 -0.23 -2.05 4.64 -1.94 -1.65 113.55 113.08 1tj3 h SER 179 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1tj3 h SER 179 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1tj3 h SER 179 CO -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 1tj3 n GLN 180 N -2.36 2.16 -4.55 4.77 6.02 0.13 -4.88 117.38 118.67 1tj3 n GLN 180 Ca 0.02 -1.99 -0.34 0.00 -0.01 0.00 0.00 57.00 54.68 1tj3 n GLN 180 Cb 0.23 -1.43 -0.12 0.00 1.02 0.00 0.00 30.24 29.95 1tj3 n GLN 180 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1tj3 s THR 181 N -1.49 3.74 -0.14 5.09 2.01 -0.62 -0.86 115.64 123.37 1tj3 s THR 181 Ca 0.30 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1tj3 s THR 181 Cb 0.19 -2.57 0.02 0.00 0.01 0.00 0.00 72.50 70.15 1tj3 s THR 181 CO 0.27 0.56 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.38 1tj3 s LEU 182 N -0.32 1.77 -0.07 4.42 2.96 -0.52 -0.40 118.68 126.51 1tj3 s LEU 182 Ca 0.05 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1tj3 s LEU 182 Cb -0.12 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 1tj3 s LEU 182 CO 0.02 -0.02 -0.05 0.68 -1.32 0.00 0.00 176.35 175.66 1tj3 s VAL 183 N 1.27 3.83 -0.06 1.68 -7.23 0.76 -0.73 120.40 119.92 1tj3 s VAL 183 Ca 0.01 -0.43 0.03 0.00 -1.81 0.00 0.00 61.98 59.78 1tj3 s VAL 183 Cb -0.14 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.23 1tj3 s VAL 183 CO -0.08 0.60 -0.16 0.00 -0.31 0.00 0.00 175.10 175.15 1tj3 s GLY 185 N 0.43 1.19 0.00 0.00 0.00 -1.04 -2.30 107.32 105.60 1tj3 s GLY 185 Ca -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1tj3 s GLY 185 CO 0.04 -0.98 0.00 2.09 0.00 0.00 0.00 173.10 174.25 1tj3 n ASP 186 N -0.82 0.00 -0.59 1.64 5.75 -1.26 -2.79 116.55 118.48 1tj3 n ASP 186 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1tj3 n ASP 186 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1tj3 n ASP 186 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1tj3 n SER 187 N 0.00 0.39 0.22 -1.12 3.41 -1.26 0.70 113.62 115.97 1tj3 n SER 187 Ca 0.00 -0.49 0.10 0.00 -0.26 0.00 0.00 58.87 58.22 1tj3 n SER 187 Cb 0.00 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.42 1tj3 n SER 187 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1tj3 h GLY 188 N 0.00 0.00 0.04 5.00 0.00 -1.92 -2.39 103.07 103.80 1tj3 h GLY 188 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tj3 h GLY 188 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 1tj3 n ASN 189 N -3.41 0.50 -0.01 0.19 6.94 -1.26 -2.77 115.26 115.44 1tj3 n ASN 189 Ca -0.00 -1.63 0.05 0.00 -0.02 0.00 0.00 54.58 52.98 1tj3 n ASN 189 Cb 0.42 -0.04 -0.06 0.00 -2.36 0.00 0.00 39.78 37.74 1tj3 n ASN 189 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1tj3 n ASP 190 N -0.40 0.55 -0.31 0.53 8.00 -0.90 -4.59 116.55 119.42 1tj3 n ASP 190 Ca 0.12 -0.78 0.06 0.00 0.71 0.00 0.00 54.79 54.90 1tj3 n ASP 190 Cb 0.13 0.99 0.21 0.00 -0.02 0.00 0.00 41.12 42.43 1tj3 n ASP 190 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1tj3 h ILE 191 N 0.03 0.83 -0.54 0.53 2.04 -1.54 0.12 117.51 118.98 1tj3 h ILE 191 Ca 0.00 -0.26 0.14 0.00 1.00 0.00 0.00 64.86 65.74 1tj3 h ILE 191 Cb 0.27 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1tj3 h ILE 191 CO 0.00 0.14 0.38 1.23 0.00 0.00 0.00 178.15 179.90 1tj3 h GLY 192 N 0.77 0.13 0.90 5.37 0.00 -1.81 -1.04 103.07 107.39 1tj3 h GLY 192 Ca 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 1tj3 h GLY 192 CO -0.30 0.02 0.08 1.41 0.00 0.00 0.00 176.54 177.74 1tj3 h LEU 193 N 0.08 0.49 -0.06 3.11 3.38 -1.05 -2.86 115.31 118.40 1tj3 h LEU 193 Ca 0.26 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1tj3 h LEU 193 Cb 0.91 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1tj3 h LEU 193 CO -0.02 0.59 0.00 0.49 0.09 0.00 0.00 178.44 179.59 1tj3 n PHE 194 N -4.64 0.31 0.21 1.13 3.01 -0.49 -1.92 117.46 115.07 1tj3 n PHE 194 Ca -0.02 0.10 0.10 0.00 1.01 0.00 0.00 57.45 58.64 1tj3 n PHE 194 Cb 0.19 -0.66 0.32 0.00 -0.01 0.00 0.00 39.48 39.33 1tj3 n PHE 194 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1tj3 h GLU 195 N 0.00 0.00 -7.30 -1.08 5.08 -1.07 -3.44 114.58 106.77 1tj3 h GLU 195 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1tj3 h GLU 195 Cb 0.51 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.89 1tj3 h GLU 195 CO 0.00 0.20 0.32 0.99 -1.00 0.00 0.00 179.01 179.52 1tj3 s THR 196 N -3.39 3.27 -1.54 1.13 2.01 -0.81 -4.94 115.64 111.38 1tj3 s THR 196 Ca 0.03 0.43 0.09 0.00 0.31 0.00 0.00 61.69 62.54 1tj3 s THR 196 Cb 0.08 -2.90 0.31 0.00 0.01 0.00 0.00 72.50 70.00 1tj3 s THR 196 CO 0.65 -0.52 1.17 -1.54 -0.69 0.00 0.00 174.62 173.70 1tj3 n SER 197 N -3.44 2.19 -4.84 3.53 3.41 -1.26 -4.91 113.62 108.31 1tj3 n SER 197 Ca 0.09 -2.14 -0.29 0.00 -0.26 0.00 0.00 58.87 56.27 1tj3 n SER 197 Cb 0.53 -0.34 0.11 0.00 -0.26 0.00 0.00 64.21 64.24 1tj3 n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tj3 s ALA 198 N -1.64 2.23 0.09 7.33 0.00 -1.26 -4.65 121.76 123.86 1tj3 s ALA 198 Ca 0.22 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 1tj3 s ALA 198 Cb 0.14 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 1tj3 s ALA 198 CO 0.12 -1.92 1.05 1.03 0.00 0.00 0.00 175.76 176.04 1tj3 s ARG 199 N -5.39 4.58 0.10 0.00 1.81 0.46 -4.84 118.95 115.67 1tj3 s ARG 199 Ca 0.62 1.57 0.04 0.00 -1.72 0.00 0.00 55.73 56.24 1tj3 s ARG 199 Cb -0.13 -3.37 -0.04 0.00 -0.45 0.00 0.00 34.95 30.96 1tj3 s ARG 199 CO 0.52 0.01 -0.11 0.20 -0.68 0.00 0.00 175.30 175.24 1tj3 s GLY 200 N 0.46 0.87 -0.02 -3.53 0.00 -0.37 -0.17 107.32 104.57 1tj3 s GLY 200 Ca 0.51 -1.18 0.04 0.00 0.00 0.00 0.00 44.72 44.09 1tj3 s GLY 200 CO 0.30 -1.25 -0.13 0.54 0.00 0.00 0.00 173.10 172.56 1tj3 s VAL 201 N -2.29 1.08 -0.20 1.40 0.11 0.41 -0.62 120.40 120.29 1tj3 s VAL 201 Ca 0.05 -0.55 -0.04 0.00 -2.93 0.00 0.00 61.98 58.51 1tj3 s VAL 201 Cb -0.04 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1tj3 s VAL 201 CO 0.01 0.31 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.42 1tj3 s ILE 202 N -0.10 3.49 0.64 7.04 1.01 0.13 -2.49 121.20 130.93 1tj3 s ILE 202 Ca 0.01 -0.47 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 1tj3 s ILE 202 Cb -0.08 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 1tj3 s ILE 202 CO 0.00 0.44 1.15 0.68 0.00 0.00 0.00 174.94 177.21 1tj3 s VAL 203 N 1.19 2.95 0.30 2.92 -7.23 -1.12 -1.60 120.40 117.80 1tj3 s VAL 203 Ca 0.02 0.49 -0.00 0.00 -1.81 0.00 0.00 61.98 60.68 1tj3 s VAL 203 Cb -0.14 -3.06 0.19 0.00 0.56 0.00 0.00 36.38 33.92 1tj3 s VAL 203 CO -0.01 -0.22 1.88 0.03 -0.31 0.00 0.00 175.10 176.47 1tj3 h ARG 204 N 0.30 0.84 -0.95 4.82 3.08 -1.32 -2.09 114.38 119.06 1tj3 h ARG 204 Ca -0.48 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.44 1tj3 h ARG 204 Cb 1.27 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1tj3 h ARG 204 CO 0.54 0.70 0.00 0.27 -1.07 0.00 0.00 179.97 180.40 1tj3 n ASN 205 N -4.32 1.28 -4.75 7.04 6.94 -1.26 -4.90 115.26 115.28 1tj3 n ASN 205 Ca 0.05 -1.83 -0.37 0.00 -0.02 0.00 0.00 54.58 52.41 1tj3 n ASN 205 Cb 0.17 -0.46 0.03 0.00 -2.36 0.00 0.00 39.78 37.16 1tj3 n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tj3 s ALA 206 N -0.78 2.71 0.45 -2.53 0.00 -0.79 -5.00 121.76 115.82 1tj3 s ALA 206 Ca 0.00 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 1tj3 s ALA 206 Cb 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1tj3 s ALA 206 CO 0.00 -1.18 1.07 -0.65 0.00 0.00 0.00 175.76 175.00 1tj3 s GLN 207 N -3.06 3.91 0.25 0.00 -1.52 0.22 -4.85 119.66 114.60 1tj3 s GLN 207 Ca 0.73 1.50 -0.13 0.00 -1.95 0.00 0.00 55.36 55.52 1tj3 s GLN 207 Cb -0.34 -2.31 0.33 0.00 -0.22 0.00 0.00 33.01 30.47 1tj3 s GLN 207 CO 0.39 -0.37 1.57 -1.35 -0.25 0.00 0.00 175.29 175.29 1tj3 h PRO 208 N 1.98 -0.02 -0.71 2.91 0.11 -1.94 -0.55 132.00 133.78 1tj3 h PRO 208 Ca -0.49 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.72 1tj3 h PRO 208 Cb 1.23 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1tj3 h PRO 208 CO 0.60 -0.01 0.34 0.93 -0.21 0.00 0.00 178.00 179.65 1tj3 h GLU 209 N -0.02 0.56 -0.24 1.05 3.07 -1.95 0.23 114.58 117.29 1tj3 h GLU 209 Ca 0.39 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.16 1tj3 h GLU 209 Cb 0.64 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1tj3 h GLU 209 CO -0.92 0.37 -0.08 1.25 -1.40 0.00 0.00 179.01 178.23 1tj3 h LEU 210 N 0.57 0.48 -0.30 1.33 5.85 -1.38 -1.40 115.31 120.47 1tj3 h LEU 210 Ca 0.35 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1tj3 h LEU 210 Cb 0.40 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1tj3 h LEU 210 CO -0.28 0.76 0.05 -0.07 -0.34 0.00 0.00 178.44 178.55 1tj3 h LEU 211 N 0.20 -0.01 -0.93 2.25 3.38 -0.77 0.08 115.31 119.50 1tj3 h LEU 211 Ca 0.06 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.19 1tj3 h LEU 211 Cb 0.56 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 1tj3 h LEU 211 CO 0.03 0.03 0.57 -0.74 0.09 0.00 0.00 178.44 178.42 1tj3 h HIS 212 N 0.15 1.03 -0.59 1.13 2.76 -0.41 0.21 115.15 119.43 1tj3 h HIS 212 Ca 0.14 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1tj3 h HIS 212 Cb 0.16 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 1tj3 h HIS 212 CO -0.18 0.42 0.39 2.35 -1.30 0.00 0.00 177.93 179.60 1tj3 h TRP 213 N 0.92 0.75 -0.75 5.26 7.01 -0.00 -2.67 115.95 126.46 1tj3 h TRP 213 Ca 0.46 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.45 1tj3 h TRP 213 Cb 0.43 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 1tj3 h TRP 213 CO -0.03 0.48 0.37 -0.92 -2.79 0.00 0.00 178.44 175.55 1tj3 h TYR 214 N 0.80 1.06 0.00 2.65 5.03 0.83 0.21 116.97 127.55 1tj3 h TYR 214 Ca 0.22 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 1tj3 h TYR 214 Cb -0.08 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 37.86 1tj3 h TYR 214 CO -0.03 0.76 -0.09 -0.44 -1.32 0.00 0.00 178.16 177.04 1tj3 h ASP 215 N 1.06 0.00 0.00 -2.11 3.32 -0.88 0.26 116.42 118.07 1tj3 h ASP 215 Ca 0.26 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.96 1tj3 h ASP 215 Cb 0.09 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 1tj3 h ASP 215 CO -0.03 0.09 -2.33 0.00 -1.72 0.00 0.00 179.24 175.25 1tj3 n GLN 216 N -3.57 0.63 -0.00 3.56 6.02 -0.88 -4.72 117.38 118.42 1tj3 n GLN 216 Ca -0.02 0.12 0.05 0.00 -0.01 0.00 0.00 57.00 57.14 1tj3 n GLN 216 Cb 0.22 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 29.93 1tj3 n GLN 216 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1tj3 n TRP 217 N -3.13 0.00 -1.35 1.08 7.02 0.69 -5.00 117.44 116.74 1tj3 n TRP 217 Ca -0.40 0.00 -0.57 0.00 -1.02 0.00 0.00 57.50 55.50 1tj3 n TRP 217 Cb 0.96 -0.18 -0.10 0.00 -2.42 0.00 0.00 31.31 29.57 1tj3 n TRP 217 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1tj3 n GLY 218 N 1.73 0.02 3.04 6.99 0.00 0.92 -4.91 105.19 112.97 1tj3 n GLY 218 Ca -0.01 0.96 -0.19 0.00 0.00 0.00 0.00 46.02 46.78 1tj3 n GLY 218 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tj3 n ASP 219 N 5.16 2.17 0.23 1.61 2.03 -1.26 -4.98 116.55 121.51 1tj3 n ASP 219 Ca 0.39 -2.41 0.16 0.00 0.52 0.00 0.00 54.79 53.44 1tj3 n ASP 219 Cb -0.04 -0.13 0.62 0.00 -0.72 0.00 0.00 41.12 40.85 1tj3 n ASP 219 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1tj3 h SER 220 N 0.38 0.00 0.40 1.67 4.64 -2.03 -2.03 113.55 116.58 1tj3 h SER 220 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1tj3 h SER 220 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1tj3 h SER 220 CO 0.39 0.00 -0.10 -2.11 -0.87 0.00 0.00 176.83 174.15 1tj3 n ARG 221 N -2.80 0.64 -3.74 4.77 1.85 -1.26 -4.76 116.66 111.35 1tj3 n ARG 221 Ca 0.01 -0.19 -0.37 0.00 -1.00 0.00 0.00 57.85 56.30 1tj3 n ARG 221 Cb 0.28 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.09 1tj3 n ARG 221 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1tj3 s HIS 222 N -2.50 3.19 -0.14 2.89 3.76 -0.77 -1.24 115.29 120.49 1tj3 s HIS 222 Ca 0.29 -0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 55.12 1tj3 s HIS 222 Cb 0.20 -2.25 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 1tj3 s HIS 222 CO 0.48 -0.14 -0.09 -0.47 -0.85 0.00 0.00 174.74 173.66 1tj3 s TYR 223 N 1.33 2.89 -0.56 1.40 6.14 0.21 -4.74 117.35 124.01 1tj3 s TYR 223 Ca 0.06 -0.49 -0.18 0.00 0.64 0.00 0.00 57.07 57.11 1tj3 s TYR 223 Cb -0.15 -1.88 0.11 0.00 0.42 0.00 0.00 41.96 40.46 1tj3 s TYR 223 CO 0.05 -0.12 0.62 1.03 0.64 0.00 0.00 175.55 177.77 1tj3 s ARG 224 N 0.29 3.03 0.83 4.97 0.52 -1.26 -0.69 118.95 126.64 1tj3 s ARG 224 Ca -0.07 -1.41 -0.11 0.00 -0.52 0.00 0.00 55.73 53.61 1tj3 s ARG 224 Cb -0.15 -4.26 0.10 0.00 0.52 0.00 0.00 34.95 31.16 1tj3 s ARG 224 CO 0.04 -1.43 1.14 0.00 0.02 0.00 0.00 175.30 175.08 1tj3 s ALA 225 N 2.29 1.85 -0.12 2.13 0.00 -0.63 -4.95 121.76 122.33 1tj3 s ALA 225 Ca 0.09 0.53 0.17 0.00 0.00 0.00 0.00 51.96 52.75 1tj3 s ALA 225 Cb -0.26 -3.39 -0.16 0.00 0.00 0.00 0.00 23.12 19.31 1tj3 s ALA 225 CO 0.06 -2.27 0.72 1.04 0.00 0.00 0.00 175.76 175.31 1tj3 n GLN 226 N -3.73 0.63 -2.72 0.00 6.02 -1.26 -4.11 117.38 112.22 1tj3 n GLN 226 Ca 0.11 0.17 -0.25 0.00 -0.01 0.00 0.00 57.00 57.02 1tj3 n GLN 226 Cb 0.52 -1.76 0.01 0.00 1.02 0.00 0.00 30.24 30.04 1tj3 n GLN 226 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1tj3 s SER 227 N -5.67 5.90 0.35 1.08 0.01 -1.26 -4.77 113.70 109.33 1tj3 s SER 227 Ca -0.04 0.62 0.08 0.00 1.31 0.00 0.00 55.95 57.92 1tj3 s SER 227 Cb 0.09 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 1tj3 s SER 227 CO 0.82 -0.76 0.12 -0.94 0.41 0.00 0.00 173.24 172.89 1tj3 s SER 228 N -4.20 4.56 0.36 2.44 1.04 -1.26 -1.24 113.70 115.39 1tj3 s SER 228 Ca 0.49 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1tj3 s SER 228 Cb -0.10 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1tj3 s SER 228 CO 0.42 -0.30 0.00 1.41 0.98 0.00 0.00 173.24 175.75 1tj3 n HIS 229 N -1.12 0.00 -0.16 5.02 8.25 -1.26 -2.29 115.22 123.67 1tj3 n HIS 229 Ca -0.03 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.69 1tj3 n HIS 229 Cb 0.62 0.03 0.69 0.00 1.12 0.00 0.00 29.99 32.45 1tj3 n HIS 229 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tj3 h ALA 230 N -0.36 2.71 -0.29 -1.41 0.00 -0.79 -1.22 119.26 117.90 1tj3 h ALA 230 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1tj3 h ALA 230 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1tj3 h ALA 230 CO 0.00 -0.95 0.20 0.78 0.00 0.00 0.00 179.25 179.28 1tj3 h GLY 231 N 0.05 0.29 2.00 0.00 0.00 -1.68 -0.31 103.07 103.42 1tj3 h GLY 231 Ca 0.40 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1tj3 h GLY 231 CO -0.03 0.09 -0.26 0.00 0.00 0.00 0.00 176.54 176.34 1tj3 h ALA 232 N 1.84 1.54 -0.15 3.60 0.00 -1.21 -1.86 119.26 123.02 1tj3 h ALA 232 Ca 0.12 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1tj3 h ALA 232 Cb 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1tj3 h ALA 232 CO -0.02 0.32 -0.78 0.82 0.00 0.00 0.00 179.25 179.59 1tj3 h ILE 233 N 0.00 1.28 -0.43 0.00 2.04 -1.17 0.50 117.51 119.72 1tj3 h ILE 233 Ca -0.00 -1.97 -0.07 0.00 1.00 0.00 0.00 64.86 63.82 1tj3 h ILE 233 Cb 0.46 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1tj3 h ILE 233 CO 0.03 0.63 -0.01 -0.07 0.00 0.00 0.00 178.15 178.72 1tj3 h LEU 234 N 0.54 0.76 -0.54 1.44 3.38 -1.41 -0.85 115.31 118.64 1tj3 h LEU 234 Ca -0.05 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1tj3 h LEU 234 Cb 1.41 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 1tj3 h LEU 234 CO 0.16 0.89 0.28 -0.08 0.09 0.00 0.00 178.44 179.78 1tj3 h GLU 235 N 0.61 0.52 -0.56 1.13 4.81 -1.26 -1.38 114.58 118.45 1tj3 h GLU 235 Ca 0.12 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1tj3 h GLU 235 Cb 0.51 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1tj3 h GLU 235 CO 0.02 0.34 -0.06 0.00 -0.73 0.00 0.00 179.01 178.59 1tj3 h ALA 236 N 1.29 0.76 -0.34 2.92 0.00 -0.66 -0.83 119.26 122.40 1tj3 h ALA 236 Ca 0.24 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1tj3 h ALA 236 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1tj3 h ALA 236 CO -0.16 0.64 0.10 0.82 0.00 0.00 0.00 179.25 180.65 1tj3 h ILE 237 N 0.90 1.15 0.02 0.00 2.04 -0.66 -0.35 117.51 120.62 1tj3 h ILE 237 Ca 0.15 -0.51 -0.22 0.00 1.00 0.00 0.00 64.86 65.28 1tj3 h ILE 237 Cb 0.62 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1tj3 h ILE 237 CO 0.04 0.19 -0.95 0.00 0.00 0.00 0.00 178.15 177.42 1tj3 h ALA 238 N 1.63 0.39 0.76 1.87 0.00 -1.04 -1.20 119.26 121.68 1tj3 h ALA 238 Ca 0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1tj3 h ALA 238 Cb 0.16 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1tj3 h ALA 238 CO -0.01 0.89 -0.37 1.25 0.00 0.00 0.00 179.25 181.01 1tj3 h HIS 239 N 0.15 -0.95 0.00 0.00 -0.00 0.00 -3.05 115.15 111.31 1tj3 h HIS 239 Ca -0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1tj3 h HIS 239 Cb 1.60 0.31 0.00 0.00 -0.00 0.00 0.00 27.41 29.33 1tj3 h HIS 239 CO 0.05 -0.57 0.00 1.19 -0.00 0.00 0.00 177.93 178.59 1tj3 n PHE 240 N -5.48 0.00 -3.61 5.26 3.01 -0.25 -4.89 117.46 111.49 1tj3 n PHE 240 Ca -0.14 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.11 1tj3 n PHE 240 Cb 0.42 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.95 1tj3 n PHE 240 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1tj3 n ASP 241 N -0.81 -2.56 -4.89 4.37 2.03 -1.09 -4.99 116.55 108.61 1tj3 n ASP 241 Ca 0.14 -0.70 -0.29 0.00 0.52 0.00 0.00 54.79 54.45 1tj3 n ASP 241 Cb 0.06 -4.57 -0.02 0.00 -0.72 0.00 0.00 41.12 35.87 1tj3 n ASP 241 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1tj3 s PHE 242 N -3.47 3.50 -1.43 -0.67 0.08 -0.47 -3.96 117.98 111.56 1tj3 s PHE 242 Ca 0.15 0.91 -0.11 0.00 0.12 0.00 0.00 56.93 58.00 1tj3 s PHE 242 Cb -0.07 -2.35 0.04 0.00 -0.57 0.00 0.00 43.02 40.07 1tj3 s PHE 242 CO 0.77 -0.13 1.10 1.28 -0.10 0.00 0.00 175.22 178.15 1tj3 n LEU 243 N -1.57 -3.05 0.00 -0.37 4.77 -1.26 -4.80 117.00 110.72 1tj3 n LEU 243 Ca 0.01 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1tj3 n LEU 243 Cb 0.54 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.79 1tj3 n LEU 243 CO 0.49 0.58 0.00 -1.20 -1.33 0.00 0.00 177.39 175.93