#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jg0 h GLN 3 N 0.00 1.23 -0.33 1.64 7.50 -2.00 -1.60 115.11 121.55 1jg0 h GLN 3 Ca 0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 59.04 1jg0 h GLN 3 Cb 0.00 -0.28 -0.01 0.00 0.05 0.00 0.00 27.48 27.24 1jg0 h GLN 3 CO 0.00 0.81 0.05 -0.92 -1.50 0.00 0.00 178.83 177.28 1jg0 h TYR 4 N 1.27 0.59 -0.37 2.96 3.20 -2.00 -2.42 116.97 120.20 1jg0 h TYR 4 Ca 0.40 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 62.08 1jg0 h TYR 4 Cb -0.00 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1jg0 h TYR 4 CO -0.00 0.63 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.89 1jg0 h LEU 5 N 0.38 0.70 -0.79 2.82 3.38 -1.92 -1.54 115.31 118.34 1jg0 h LEU 5 Ca 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1jg0 h LEU 5 Cb 0.35 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1jg0 h LEU 5 CO 0.01 0.88 0.46 -0.33 0.09 0.00 0.00 178.44 179.54 1jg0 h GLU 6 N 0.62 1.09 -0.45 1.13 5.08 -1.19 0.38 114.58 121.24 1jg0 h GLU 6 Ca 0.10 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1jg0 h GLU 6 Cb 0.65 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1jg0 h GLU 6 CO 0.05 0.78 0.04 1.25 -1.00 0.00 0.00 179.01 180.13 1jg0 h LEU 7 N 1.09 0.74 -0.39 1.33 5.85 -1.15 0.23 115.31 123.01 1jg0 h LEU 7 Ca 0.28 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jg0 h LEU 7 Cb -0.01 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1jg0 h LEU 7 CO -0.05 0.84 0.22 -0.03 -0.34 0.00 0.00 178.44 179.08 1jg0 h MET 8 N 0.62 0.54 -0.65 1.25 4.05 -0.68 -0.10 114.93 119.95 1jg0 h MET 8 Ca 0.13 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1jg0 h MET 8 Cb 0.44 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 1jg0 h MET 8 CO 0.02 0.43 0.39 0.37 0.23 0.00 0.00 176.91 178.35 1jg0 h GLN 9 N 0.51 0.89 -0.32 0.39 5.75 -0.05 -1.77 115.11 120.50 1jg0 h GLN 9 Ca 0.14 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1jg0 h GLN 9 Cb 0.04 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1jg0 h GLN 9 CO -0.02 0.64 0.20 -0.22 -2.65 0.00 0.00 178.83 176.77 1jg0 h LYS 10 N 0.89 0.44 -0.45 1.69 3.64 -0.08 0.30 116.57 122.99 1jg0 h LYS 10 Ca 0.23 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1jg0 h LYS 10 Cb -0.02 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1jg0 h LYS 10 CO -0.04 0.32 0.17 0.28 -2.27 0.00 0.00 179.45 177.91 1jg0 h VAL 11 N 0.42 1.17 0.01 2.00 2.07 -0.76 0.79 116.25 121.94 1jg0 h VAL 11 Ca 0.12 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1jg0 h VAL 11 Cb -0.00 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1jg0 h VAL 11 CO -0.02 0.21 -0.00 0.25 0.02 0.00 0.00 177.57 178.03 1jg0 h LEU 12 N 0.64 -0.01 -0.16 2.57 5.85 -0.80 -0.24 115.31 123.17 1jg0 h LEU 12 Ca 0.16 -0.53 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 1jg0 h LEU 12 Cb 0.14 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1jg0 h LEU 12 CO -0.01 0.53 -0.15 0.44 -0.34 0.00 0.00 178.44 178.90 1jg0 h ASP 13 N -0.54 0.41 -0.01 1.25 3.32 -0.13 -3.38 116.42 117.34 1jg0 h ASP 13 Ca -0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1jg0 h ASP 13 Cb 0.53 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1jg0 h ASP 13 CO 0.00 0.80 -0.35 -0.62 -1.72 0.00 0.00 179.24 177.35 1jg0 n GLU 14 N -4.54 2.03 -2.19 3.56 1.02 0.27 -5.05 120.64 115.74 1jg0 n GLU 14 Ca -0.06 -0.58 -0.36 0.00 -0.02 0.00 0.00 57.16 56.14 1jg0 n GLU 14 Cb 0.37 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1jg0 n GLU 14 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1jg0 s GLY 15 N -1.79 2.74 0.08 0.62 0.00 -0.10 -4.91 107.32 103.98 1jg0 s GLY 15 Ca 0.10 0.95 -0.14 0.00 0.00 0.00 0.00 44.72 45.62 1jg0 s GLY 15 CO 0.38 1.37 0.49 -1.59 0.00 0.00 0.00 173.10 173.75 1jg0 s THR 16 N -1.59 4.92 0.36 0.90 2.01 0.27 -4.61 115.64 117.90 1jg0 s THR 16 Ca 0.68 0.83 -0.24 0.00 0.31 0.00 0.00 61.69 63.27 1jg0 s THR 16 Cb -0.28 -3.74 -0.10 0.00 0.01 0.00 0.00 72.50 68.38 1jg0 s THR 16 CO 0.33 0.39 0.95 -1.58 -0.69 0.00 0.00 174.62 174.03 1jg0 s GLN 17 N -1.58 4.44 -0.20 4.92 2.00 -1.26 -0.30 119.66 127.68 1jg0 s GLN 17 Ca 0.32 1.27 -0.04 0.00 -2.00 0.00 0.00 55.36 54.91 1jg0 s GLN 17 Cb -0.16 -2.58 0.10 0.00 0.80 0.00 0.00 33.01 31.17 1jg0 s GLN 17 CO 0.17 0.15 0.32 0.15 -0.50 0.00 0.00 175.29 175.58 1jg0 s LYS 18 N -2.45 0.26 -0.30 1.67 1.02 0.21 -4.94 119.74 115.21 1jg0 s LYS 18 Ca 0.55 0.60 -0.04 0.00 0.02 0.00 0.00 55.97 57.10 1jg0 s LYS 18 Cb -0.16 -0.39 0.03 0.00 -0.52 0.00 0.00 37.83 36.80 1jg0 s LYS 18 CO 0.21 -0.49 0.03 -0.80 -0.92 0.00 0.00 175.35 173.38 1jg0 s ASN 19 N 2.48 4.91 0.00 2.83 0.01 -1.26 -1.01 114.94 122.90 1jg0 s ASN 19 Ca 0.06 -1.03 0.00 0.00 -0.71 0.00 0.00 52.86 51.18 1jg0 s ASN 19 Cb -0.14 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.74 1jg0 s ASN 19 CO -0.13 -0.23 0.00 -0.90 -1.51 0.00 0.00 177.10 174.33 1jg0 n ASP 20 N 4.73 0.00 -4.69 -1.22 5.75 -1.26 -4.97 116.55 114.90 1jg0 n ASP 20 Ca -0.14 0.00 -0.57 0.00 -0.01 0.00 0.00 54.79 54.07 1jg0 n ASP 20 Cb 0.45 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.47 1jg0 n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jg0 n ALA 21 N -3.00 -0.35 0.00 2.12 0.00 -1.26 -0.59 120.51 117.43 1jg0 n ALA 21 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1jg0 n ALA 21 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1jg0 n ALA 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jg0 n THR 22 N 4.26 0.00 0.00 0.00 -1.04 -1.26 -3.52 114.28 112.72 1jg0 n THR 22 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1jg0 n THR 22 Cb 0.13 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 1jg0 n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jg0 n GLY 23 N -1.02 0.99 3.34 3.41 0.00 0.24 -5.05 105.19 107.10 1jg0 n GLY 23 Ca 0.00 -0.11 -0.55 0.00 0.00 0.00 0.00 46.02 45.36 1jg0 n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jg0 n THR 24 N 0.00 0.06 -3.41 2.61 -2.24 -1.23 -4.26 114.28 105.82 1jg0 n THR 24 Ca 0.00 -0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 1jg0 n THR 24 Cb 0.00 -0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 67.29 1jg0 n THR 24 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jg0 s GLY 25 N 6.71 1.34 0.09 3.38 0.00 -1.26 -3.99 107.32 113.59 1jg0 s GLY 25 Ca 1.17 -0.94 -0.07 0.00 0.00 0.00 0.00 44.72 44.87 1jg0 s GLY 25 CO 0.59 -0.88 0.16 -0.51 0.00 0.00 0.00 173.10 172.45 1jg0 s THR 26 N -2.30 0.14 -0.23 0.90 -4.23 -0.18 -0.09 115.64 109.66 1jg0 s THR 26 Ca 0.40 -1.34 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 1jg0 s THR 26 Cb -0.10 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.28 1jg0 s THR 26 CO 0.36 -0.65 -0.04 -0.76 -0.54 0.00 0.00 174.62 172.98 1jg0 s LEU 27 N -2.89 3.03 0.07 4.79 1.43 -0.05 -0.62 118.68 124.44 1jg0 s LEU 27 Ca 0.08 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1jg0 s LEU 27 Cb 0.05 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1jg0 s LEU 27 CO -0.09 -0.07 -0.07 -0.94 0.23 0.00 0.00 176.35 175.41 1jg0 s SER 28 N 1.43 1.02 0.32 2.29 1.04 0.59 -1.47 113.70 118.91 1jg0 s SER 28 Ca 0.04 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 55.76 1jg0 s SER 28 Cb -0.15 0.06 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 1jg0 s SER 28 CO -0.04 -0.33 -0.03 0.27 0.98 0.00 0.00 173.24 174.09 1jg0 s ILE 29 N -2.49 1.71 -0.13 -1.02 -4.36 -0.49 -0.57 121.20 113.85 1jg0 s ILE 29 Ca 0.01 -2.10 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 1jg0 s ILE 29 Cb -0.02 -2.63 0.02 0.00 1.25 0.00 0.00 42.46 41.08 1jg0 s ILE 29 CO -0.02 -0.18 -0.11 0.12 0.24 0.00 0.00 174.94 174.99 1jg0 s PHE 30 N -2.96 1.79 0.00 1.37 5.36 -1.26 -1.53 117.98 120.75 1jg0 s PHE 30 Ca 0.32 -0.94 0.00 0.00 -0.96 0.00 0.00 56.93 55.35 1jg0 s PHE 30 Cb 0.05 -1.39 0.00 0.00 -0.34 0.00 0.00 43.02 41.35 1jg0 s PHE 30 CO 0.14 -0.57 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 1jg0 n GLY 31 N 4.80 -0.93 3.34 13.12 0.00 -0.57 -5.01 105.19 119.94 1jg0 n GLY 31 Ca -0.15 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 1jg0 n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jg0 s HIS 32 N 0.00 -0.31 -0.12 1.61 2.46 -0.98 -4.97 115.29 112.98 1jg0 s HIS 32 Ca 0.00 0.28 -0.11 0.00 0.47 0.00 0.00 55.06 55.70 1jg0 s HIS 32 Cb 0.00 0.26 0.03 0.00 -0.13 0.00 0.00 32.58 32.74 1jg0 s HIS 32 CO 0.00 -0.60 0.32 -1.14 -2.47 0.00 0.00 174.74 170.85 1jg0 s GLN 33 N -2.56 0.36 0.05 2.88 0.74 -1.26 -0.32 119.66 119.56 1jg0 s GLN 33 Ca -0.05 0.47 -0.05 0.00 0.05 0.00 0.00 55.36 55.78 1jg0 s GLN 33 Cb -0.01 0.16 -0.02 0.00 1.10 0.00 0.00 33.01 34.24 1jg0 s GLN 33 CO -0.03 -0.06 0.07 0.00 -0.55 0.00 0.00 175.29 174.73 1jg0 s MET 34 N 0.29 0.63 -0.02 1.67 0.23 -0.07 -4.99 119.30 117.04 1jg0 s MET 34 Ca -0.01 -0.93 0.04 0.00 -1.03 0.00 0.00 55.69 53.77 1jg0 s MET 34 Cb -0.03 0.24 -0.01 0.00 -1.53 0.00 0.00 34.83 33.50 1jg0 s MET 34 CO -0.01 -0.16 -0.15 0.50 -2.03 0.00 0.00 175.02 173.18 1jg0 s ARG 35 N -3.20 1.37 -0.20 3.16 3.52 -1.26 -0.12 118.95 122.22 1jg0 s ARG 35 Ca 0.00 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.07 1jg0 s ARG 35 Cb 0.02 -1.28 0.04 0.00 -1.56 0.00 0.00 34.95 32.18 1jg0 s ARG 35 CO -0.07 0.28 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.53 1jg0 s PHE 36 N -0.18 2.46 -0.52 5.12 0.08 0.07 -4.97 117.98 120.04 1jg0 s PHE 36 Ca 0.02 -1.63 -0.28 0.00 0.12 0.00 0.00 56.93 55.16 1jg0 s PHE 36 Cb -0.08 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.74 1jg0 s PHE 36 CO 0.00 -0.75 1.31 1.21 -0.10 0.00 0.00 175.22 176.89 1jg0 s ASN 37 N 1.38 6.34 0.46 1.36 3.04 -1.26 -0.36 114.94 125.90 1jg0 s ASN 37 Ca -0.02 0.38 0.31 0.00 0.04 0.00 0.00 52.86 53.58 1jg0 s ASN 37 Cb -0.16 -2.55 1.63 0.00 -1.54 0.00 0.00 41.25 38.63 1jg0 s ASN 37 CO -0.08 -1.51 1.95 -0.07 -3.04 0.00 0.00 177.10 174.35 1jg0 h LEU 38 N 12.27 0.00 -0.30 3.21 3.38 -1.38 0.61 115.31 133.10 1jg0 h LEU 38 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1jg0 h LEU 38 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1jg0 h LEU 38 CO 1.15 0.00 0.00 1.56 0.09 0.00 0.00 178.44 181.24 1jg0 h GLN 39 N 0.00 0.00 0.00 1.13 4.20 -1.78 -2.73 115.11 115.93 1jg0 h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jg0 h GLN 39 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1jg0 h GLN 39 CO 0.00 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.91 1jg0 n ASP 40 N -2.39 0.21 0.00 1.46 8.00 0.21 -4.99 116.55 119.04 1jg0 n ASP 40 Ca 0.04 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1jg0 n ASP 40 Cb 0.37 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1jg0 n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jg0 n GLY 41 N 1.13 3.48 3.68 0.44 0.00 -1.03 -4.78 105.19 108.12 1jg0 n GLY 41 Ca 0.06 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1jg0 n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jg0 s PHE 42 N -2.11 3.25 -0.90 1.61 5.36 -0.14 -4.58 117.98 120.46 1jg0 s PHE 42 Ca 0.00 1.32 -0.12 0.00 -0.96 0.00 0.00 56.93 57.17 1jg0 s PHE 42 Cb 0.00 -3.35 -0.09 0.00 -0.34 0.00 0.00 43.02 39.24 1jg0 s PHE 42 CO 0.00 -0.97 2.07 -0.35 -1.46 0.00 0.00 175.22 174.51 1jg0 n PRO 43 N 5.46 1.94 -3.69 10.12 -0.04 -1.26 -3.95 135.00 143.58 1jg0 n PRO 43 Ca 0.11 -1.68 -0.37 0.00 -0.04 0.00 0.00 63.50 61.52 1jg0 n PRO 43 Cb 0.47 -2.68 -0.12 0.00 -0.04 0.00 0.00 33.50 31.13 1jg0 n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jg0 s LEU 44 N 0.60 3.70 0.30 1.53 2.96 -1.26 -4.35 118.68 122.16 1jg0 s LEU 44 Ca 0.47 -0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 53.91 1jg0 s LEU 44 Cb 0.12 -1.99 -0.13 0.00 0.50 0.00 0.00 46.19 44.69 1jg0 s LEU 44 CO 0.02 -0.06 1.22 1.33 -1.32 0.00 0.00 176.35 177.54 1jg0 n VAL 45 N 4.97 1.74 0.31 1.68 0.24 -1.26 -4.83 118.33 121.19 1jg0 n VAL 45 Ca -0.15 -0.43 0.09 0.00 -2.04 0.00 0.00 64.34 61.80 1jg0 n VAL 45 Cb 0.51 -1.34 -0.12 0.00 -1.47 0.00 0.00 33.84 31.42 1jg0 n VAL 45 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1jg0 n THR 46 N 0.66 0.00 1.45 3.34 -2.24 -1.26 -4.48 114.28 111.75 1jg0 n THR 46 Ca 0.08 -0.28 0.04 0.00 -2.27 0.00 0.00 64.05 61.61 1jg0 n THR 46 Cb 0.33 0.45 0.22 0.00 -2.10 0.00 0.00 70.33 69.23 1jg0 n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jg0 n THR 47 N -1.83 0.00 -3.63 4.28 -2.24 -1.26 0.04 114.28 109.64 1jg0 n THR 47 Ca -0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 1jg0 n THR 47 Cb 0.38 -0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 68.25 1jg0 n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1jg0 s LYS 48 N -2.00 0.52 0.00 -0.78 -2.85 -1.26 -4.62 119.74 108.75 1jg0 s LYS 48 Ca 0.11 0.50 -0.30 0.00 -1.00 0.00 0.00 55.97 55.28 1jg0 s LYS 48 Cb 0.05 0.25 -0.06 0.00 -2.06 0.00 0.00 37.83 36.01 1jg0 s LYS 48 CO 0.09 -0.08 1.42 0.50 0.10 0.00 0.00 175.35 177.37 1jg0 s ARG 49 N -0.03 4.27 0.06 1.78 3.52 -0.67 -4.68 118.95 123.20 1jg0 s ARG 49 Ca 0.02 2.00 0.09 0.00 -0.13 0.00 0.00 55.73 57.71 1jg0 s ARG 49 Cb -0.04 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 1jg0 s ARG 49 CO -0.05 -0.59 -0.25 0.00 -0.81 0.00 0.00 175.30 173.60 1jg0 s HIS 51 N -0.86 2.71 -1.71 0.00 0.09 -1.26 -5.03 115.29 109.23 1jg0 s HIS 51 Ca 0.11 -0.15 0.22 0.00 -0.00 0.00 0.00 55.06 55.24 1jg0 s HIS 51 Cb -0.10 -1.59 -0.03 0.00 -0.00 0.00 0.00 32.58 30.86 1jg0 s HIS 51 CO 0.03 0.24 1.06 1.28 -0.00 0.00 0.00 174.74 177.34 1jg0 n LEU 52 N 2.02 1.67 -0.26 0.89 4.77 -1.26 -4.64 117.00 120.18 1jg0 n LEU 52 Ca -0.17 -0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 55.06 1jg0 n LEU 52 Cb 0.52 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1jg0 n LEU 52 CO 0.27 0.33 0.53 -0.09 -1.33 0.00 0.00 177.39 177.09 1jg0 h ARG 53 N 1.64 -0.18 -0.73 3.23 2.43 -2.00 -0.00 114.38 118.77 1jg0 h ARG 53 Ca 0.00 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1jg0 h ARG 53 Cb 0.67 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1jg0 h ARG 53 CO 0.00 -0.12 0.22 0.77 -1.51 0.00 0.00 179.97 179.33 1jg0 h SER 54 N -0.19 1.07 -0.50 -3.80 0.02 -1.95 -2.75 113.55 105.44 1jg0 h SER 54 Ca 0.16 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1jg0 h SER 54 Cb 0.53 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1jg0 h SER 54 CO -0.76 1.00 0.30 0.40 -1.14 0.00 0.00 176.83 176.63 1jg0 h ILE 55 N 1.08 1.15 0.04 3.27 1.08 -1.57 0.20 117.51 122.76 1jg0 h ILE 55 Ca 0.23 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1jg0 h ILE 55 Cb 0.32 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1jg0 h ILE 55 CO -0.01 0.16 -0.02 0.40 -0.69 0.00 0.00 178.15 177.99 1jg0 h ILE 56 N 0.67 1.06 -0.73 -0.67 2.04 -0.98 0.28 117.51 119.19 1jg0 h ILE 56 Ca 0.18 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1jg0 h ILE 56 Cb -0.01 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1jg0 h ILE 56 CO -0.03 0.08 0.46 0.45 0.00 0.00 0.00 178.15 179.11 1jg0 h HIS 57 N -0.20 0.86 -0.72 1.37 3.86 -1.39 -1.62 115.15 117.32 1jg0 h HIS 57 Ca -0.01 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1jg0 h HIS 57 Cb 0.18 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 1jg0 h HIS 57 CO -0.03 0.49 0.29 1.49 0.86 0.00 0.00 177.93 181.03 1jg0 h GLU 58 N 0.89 1.07 -0.55 2.45 4.81 -0.70 -0.71 114.58 121.84 1jg0 h GLU 58 Ca 0.29 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1jg0 h GLU 58 Cb 0.02 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1jg0 h GLU 58 CO -0.11 0.88 0.30 1.25 -0.73 0.00 0.00 179.01 180.61 1jg0 h LEU 59 N 1.03 0.68 -1.13 1.64 6.46 -0.48 0.61 115.31 124.12 1jg0 h LEU 59 Ca 0.24 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1jg0 h LEU 59 Cb 0.21 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 1jg0 h LEU 59 CO -0.02 0.58 0.08 -0.07 -0.62 0.00 0.00 178.44 178.38 1jg0 h LEU 60 N 0.74 0.64 -0.44 2.25 3.38 -1.03 -1.34 115.31 119.53 1jg0 h LEU 60 Ca 0.19 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1jg0 h LEU 60 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1jg0 h LEU 60 CO -0.03 0.66 -0.16 -0.25 0.09 0.00 0.00 178.44 178.75 1jg0 h TRP 61 N 0.67 1.00 0.02 1.13 7.01 -0.54 -2.23 115.95 123.01 1jg0 h TRP 61 Ca 0.15 -0.23 0.00 0.00 2.11 0.00 0.00 58.89 60.91 1jg0 h TRP 61 Cb 0.30 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.12 1jg0 h TRP 61 CO 0.01 1.01 -0.02 0.74 -2.79 0.00 0.00 178.44 177.39 1jg0 h PHE 62 N 0.71 -0.06 0.00 2.65 0.04 -0.29 -2.68 116.94 117.32 1jg0 h PHE 62 Ca 0.10 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1jg0 h PHE 62 Cb 0.72 0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 1jg0 h PHE 62 CO 0.05 -0.04 -0.03 -0.07 -0.60 0.00 0.00 178.31 177.62 1jg0 h LEU 63 N -0.05 0.00 -0.15 1.54 3.38 -1.14 -0.52 115.31 118.36 1jg0 h LEU 63 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jg0 h LEU 63 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jg0 h LEU 63 CO -0.01 0.03 0.00 1.56 0.09 0.00 0.00 178.44 180.11 1jg0 h GLN 64 N 0.00 0.00 0.00 1.13 1.08 -1.06 -3.48 115.11 112.79 1jg0 h GLN 64 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1jg0 h GLN 64 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1jg0 h GLN 64 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1jg0 n GLY 65 N 1.02 0.83 3.75 3.46 0.00 -0.20 -5.02 105.19 109.02 1jg0 n GLY 65 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1jg0 n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jg0 s ASP 66 N -2.68 6.89 -0.12 1.61 -1.08 -1.25 -3.64 116.67 116.40 1jg0 s ASP 66 Ca 0.00 1.06 0.16 0.00 -0.52 0.00 0.00 52.55 53.25 1jg0 s ASP 66 Cb 0.00 -2.35 0.62 0.00 -1.46 0.00 0.00 42.92 39.74 1jg0 s ASP 66 CO 0.00 0.05 1.54 0.35 0.52 0.00 0.00 175.17 177.62 1jg0 n THR 67 N 3.13 1.87 -3.49 1.71 -2.24 -1.26 -4.77 114.28 109.22 1jg0 n THR 67 Ca -0.06 -1.33 -0.37 0.00 -2.27 0.00 0.00 64.05 60.02 1jg0 n THR 67 Cb 0.51 0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.75 1jg0 n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jg0 s ASN 68 N -1.14 6.50 0.00 3.42 3.84 -1.26 -2.98 114.94 123.32 1jg0 s ASN 68 Ca 0.45 0.58 0.08 0.00 0.21 0.00 0.00 52.86 54.18 1jg0 s ASN 68 Cb 0.30 -2.21 0.46 0.00 -0.55 0.00 0.00 41.25 39.26 1jg0 s ASN 68 CO 0.19 0.08 1.00 2.30 -2.79 0.00 0.00 177.10 177.89 1jg0 n ILE 69 N 3.54 0.00 -0.24 -5.21 -5.35 -0.22 -4.07 119.36 107.81 1jg0 n ILE 69 Ca -0.11 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.41 1jg0 n ILE 69 Cb 0.52 -0.37 0.14 0.00 -1.74 0.00 0.00 39.64 38.19 1jg0 n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jg0 h ALA 70 N 2.65 0.75 -0.44 -1.28 0.00 -1.92 0.24 119.26 119.26 1jg0 h ALA 70 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1jg0 h ALA 70 Cb 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1jg0 h ALA 70 CO 0.00 -0.40 0.14 -0.92 0.00 0.00 0.00 179.25 178.06 1jg0 h TYR 71 N 0.13 0.64 -0.36 0.00 3.20 -2.00 -0.44 116.97 118.13 1jg0 h TYR 71 Ca 0.38 -0.04 -0.16 0.00 3.14 0.00 0.00 58.73 62.05 1jg0 h TYR 71 Cb 0.66 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1jg0 h TYR 71 CO -0.38 0.53 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.19 1jg0 h LEU 72 N 0.63 0.98 -0.44 2.82 3.38 -0.94 -2.78 115.31 118.96 1jg0 h LEU 72 Ca 0.15 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1jg0 h LEU 72 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1jg0 h LEU 72 CO -0.01 1.25 0.12 0.45 0.09 0.00 0.00 178.44 180.34 1jg0 h HIS 73 N 0.74 0.72 -0.03 1.13 3.86 -0.32 0.13 115.15 121.39 1jg0 h HIS 73 Ca 0.05 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1jg0 h HIS 73 Cb 1.00 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.27 1jg0 h HIS 73 CO 0.06 0.67 0.04 0.93 0.86 0.00 0.00 177.93 180.49 1jg0 h GLU 74 N 0.57 0.00 -0.31 2.45 5.08 -1.02 -1.82 114.58 119.53 1jg0 h GLU 74 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1jg0 h GLU 74 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1jg0 h GLU 74 CO -0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 1jg0 n ASN 75 N -3.69 3.79 -3.48 1.42 3.02 -0.79 -4.97 115.26 110.56 1jg0 n ASN 75 Ca -0.02 -2.76 -0.23 0.00 -0.03 0.00 0.00 54.58 51.54 1jg0 n ASN 75 Cb 0.13 -0.48 0.08 0.00 -0.61 0.00 0.00 39.78 38.89 1jg0 n ASN 75 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jg0 n ASN 76 N -0.16 -6.26 -4.32 6.41 4.05 -0.69 -4.97 115.26 109.31 1jg0 n ASN 76 Ca 0.20 -0.51 -0.37 0.00 0.45 0.00 0.00 54.58 54.34 1jg0 n ASN 76 Cb 0.80 -4.90 -0.13 0.00 1.23 0.00 0.00 39.78 36.79 1jg0 n ASN 76 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1jg0 s VAL 77 N -3.30 3.83 -2.33 3.44 1.01 0.40 -4.99 120.40 118.47 1jg0 s VAL 77 Ca 0.56 -0.75 0.25 0.00 0.00 0.00 0.00 61.98 62.04 1jg0 s VAL 77 Cb -0.25 -2.98 0.21 0.00 0.00 0.00 0.00 36.38 33.36 1jg0 s VAL 77 CO 0.69 0.08 1.37 0.35 0.00 0.00 0.00 175.10 177.59 1jg0 n THR 78 N 4.84 0.00 -0.30 3.92 -2.24 -1.26 -4.29 114.28 114.95 1jg0 n THR 78 Ca -0.15 -0.30 0.06 0.00 -2.27 0.00 0.00 64.05 61.40 1jg0 n THR 78 Cb 0.48 0.99 0.13 0.00 -2.10 0.00 0.00 70.33 69.83 1jg0 n THR 78 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1jg0 n ILE 79 N 0.26 -0.35 0.89 2.28 5.41 -1.26 -1.19 119.36 125.39 1jg0 n ILE 79 Ca 0.13 1.93 0.10 0.00 1.00 0.00 0.00 62.75 65.91 1jg0 n ILE 79 Cb 0.46 -2.68 0.01 0.00 -0.71 0.00 0.00 39.64 36.72 1jg0 n ILE 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1jg0 n TRP 80 N -5.36 0.00 -0.38 1.39 7.02 -1.26 -4.63 117.44 114.22 1jg0 n TRP 80 Ca 0.14 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.61 1jg0 n TRP 80 Cb 0.44 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.36 1jg0 n TRP 80 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1jg0 n ASP 81 N 0.15 -0.65 0.24 -0.99 9.92 -0.34 0.48 116.55 125.36 1jg0 n ASP 81 Ca 0.09 1.70 0.14 0.00 -0.53 0.00 0.00 54.79 56.19 1jg0 n ASP 81 Cb 0.44 -0.38 0.72 0.00 -0.64 0.00 0.00 41.12 41.26 1jg0 n ASP 81 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1jg0 h GLU 82 N 0.00 0.00 0.00 -1.24 4.81 -1.82 -2.99 114.58 113.34 1jg0 h GLU 82 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1jg0 h GLU 82 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1jg0 h GLU 82 CO -0.96 0.00 -1.24 0.91 -0.73 0.00 0.00 179.01 176.99 1jg0 n TRP 83 N -2.52 0.00 -2.13 0.92 7.02 0.18 -5.02 117.44 115.90 1jg0 n TRP 83 Ca -0.02 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.09 1jg0 n TRP 83 Cb 0.18 -0.18 0.01 0.00 -2.42 0.00 0.00 31.31 28.90 1jg0 n TRP 83 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jg0 s ALA 84 N -2.52 2.83 0.77 6.99 0.00 -0.98 -4.78 121.76 124.07 1jg0 s ALA 84 Ca -0.02 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1jg0 s ALA 84 Cb 0.06 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1jg0 s ALA 84 CO 0.41 -0.90 0.10 -0.40 0.00 0.00 0.00 175.76 174.97 1jg0 n ASP 85 N -0.91 0.05 -0.30 0.00 5.68 -0.11 -4.74 116.55 116.23 1jg0 n ASP 85 Ca 0.10 -1.06 0.13 0.00 -0.50 0.00 0.00 54.79 53.45 1jg0 n ASP 85 Cb 0.48 -0.07 0.30 0.00 -1.14 0.00 0.00 41.12 40.69 1jg0 n ASP 85 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jg0 h GLU 86 N 0.00 0.30 -0.13 0.11 5.08 -1.96 0.72 114.58 118.70 1jg0 h GLU 86 Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jg0 h GLU 86 Cb 0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1jg0 h GLU 86 CO 0.03 0.20 0.00 0.09 -1.00 0.00 0.00 179.01 178.33 1jg0 n ASN 87 N -5.12 1.19 -0.12 1.42 4.13 -1.26 -4.90 115.26 110.59 1jg0 n ASN 87 Ca 0.22 -1.66 -0.01 0.00 1.68 0.00 0.00 54.58 54.81 1jg0 n ASN 87 Cb 0.67 -0.08 -0.00 0.00 -1.54 0.00 0.00 39.78 38.82 1jg0 n ASN 87 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jg0 n GLY 88 N 1.02 0.41 3.90 7.41 0.00 0.25 -4.88 105.19 113.30 1jg0 n GLY 88 Ca 0.15 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1jg0 n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jg0 s ASP 89 N -2.97 6.45 0.00 1.61 1.01 -1.26 -1.06 116.67 120.45 1jg0 s ASP 89 Ca 0.00 0.47 0.04 0.00 0.71 0.00 0.00 52.55 53.78 1jg0 s ASP 89 Cb 0.00 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 1jg0 s ASP 89 CO 0.00 0.18 0.24 0.18 0.21 0.00 0.00 175.17 175.98 1jg0 n LEU 90 N 0.62 0.35 0.00 1.23 4.77 -1.16 -0.93 117.00 121.88 1jg0 n LEU 90 Ca -0.07 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1jg0 n LEU 90 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1jg0 n LEU 90 CO 0.46 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1jg0 n GLY 91 N 0.99 -1.76 2.53 -0.72 0.00 -1.26 -0.13 105.19 104.85 1jg0 n GLY 91 Ca 0.01 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 1jg0 n GLY 91 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jg0 n PRO 92 N 0.00 3.39 -1.83 1.61 -0.02 -1.26 -4.79 135.00 132.10 1jg0 n PRO 92 Ca 0.00 -2.53 -0.21 0.00 -2.02 0.00 0.00 63.50 58.74 1jg0 n PRO 92 Cb 0.00 -3.01 0.13 0.00 -0.02 0.00 0.00 33.50 30.60 1jg0 n PRO 92 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1jg0 n VAL 93 N 4.10 0.00 0.00 -1.45 0.24 -1.26 -4.54 118.33 115.42 1jg0 n VAL 93 Ca 0.64 -1.01 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1jg0 n VAL 93 Cb 0.31 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 1jg0 n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1jg0 n TYR 94 N -3.02 0.00 -0.26 6.34 4.01 -1.26 -0.39 117.16 122.58 1jg0 n TYR 94 Ca 0.13 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.93 1jg0 n TYR 94 Cb 0.46 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.66 1jg0 n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jg0 h GLY 95 N 0.00 0.87 1.01 2.72 0.00 -1.88 0.94 103.07 106.74 1jg0 h GLY 95 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1jg0 h GLY 95 CO 0.00 -0.29 0.31 1.70 0.00 0.00 0.00 176.54 178.26 1jg0 h LYS 96 N 0.11 0.98 -0.24 4.80 1.63 -0.79 -1.92 116.57 121.14 1jg0 h LYS 96 Ca 0.42 -0.15 -0.18 0.00 -0.85 0.00 0.00 60.65 59.90 1jg0 h LYS 96 Cb 0.75 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1jg0 h LYS 96 CO -0.67 0.78 -0.56 1.96 -3.45 0.00 0.00 179.45 177.52 1jg0 h GLN 97 N 0.94 0.72 -0.40 1.90 1.08 -1.06 0.22 115.11 118.52 1jg0 h GLN 97 Ca 0.23 -0.46 -0.02 0.00 -1.45 0.00 0.00 58.65 56.95 1jg0 h GLN 97 Cb 0.14 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1jg0 h GLN 97 CO -0.03 1.08 0.17 -1.49 -0.95 0.00 0.00 178.83 177.62 1jg0 h TRP 98 N 0.55 0.59 0.00 2.96 4.06 -0.72 -3.22 115.95 120.17 1jg0 h TRP 98 Ca 0.01 -0.04 -0.07 0.00 2.06 0.00 0.00 58.89 60.86 1jg0 h TRP 98 Cb 1.13 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 29.10 1jg0 h TRP 98 CO 0.06 0.51 -2.06 0.54 -3.56 0.00 0.00 178.44 173.93 1jg0 n ARG 99 N -4.67 0.66 -2.87 0.49 5.12 -0.74 -0.65 116.66 114.01 1jg0 n ARG 99 Ca -0.00 -0.16 -0.12 0.00 -1.93 0.00 0.00 57.85 55.64 1jg0 n ARG 99 Cb 0.13 -1.52 0.05 0.00 -1.16 0.00 0.00 32.46 29.96 1jg0 n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jg0 n ALA 100 N -2.35 -0.02 -1.78 7.54 0.00 0.75 -3.51 120.51 121.14 1jg0 n ALA 100 Ca -0.09 -2.02 -0.42 0.00 0.00 0.00 0.00 53.44 50.91 1jg0 n ALA 100 Cb 0.67 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1jg0 n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jg0 s TRP 101 N -0.41 1.87 -0.12 0.00 -0.11 -0.43 -4.57 118.94 115.18 1jg0 s TRP 101 Ca 0.28 -0.08 -0.29 0.00 1.22 0.00 0.00 56.10 57.23 1jg0 s TRP 101 Cb 0.29 -4.12 -0.05 0.00 -1.50 0.00 0.00 33.47 28.09 1jg0 s TRP 101 CO -0.08 -4.78 1.68 -2.14 -4.62 0.00 0.00 176.95 167.00 1jg0 s PRO 102 N 3.50 3.99 0.40 5.86 0.02 -1.26 -0.94 135.00 146.57 1jg0 s PRO 102 Ca 0.81 2.00 -0.18 0.00 0.02 0.00 0.00 61.00 63.66 1jg0 s PRO 102 Cb -0.42 -4.03 -0.10 0.00 0.02 0.00 0.00 34.50 29.98 1jg0 s PRO 102 CO 0.36 -1.07 0.87 0.95 -0.33 0.00 0.00 177.00 177.78 1jg0 s THR 103 N 4.67 4.53 0.39 0.99 -4.23 -0.50 -4.93 115.64 116.57 1jg0 s THR 103 Ca 0.74 1.22 0.20 0.00 -1.18 0.00 0.00 61.69 62.67 1jg0 s THR 103 Cb -0.30 -3.62 0.40 0.00 1.34 0.00 0.00 72.50 70.31 1jg0 s THR 103 CO 0.30 -0.32 1.72 -0.65 -0.54 0.00 0.00 174.62 175.13 1jg0 h PRO 104 N 1.90 0.31 0.00 3.99 0.11 -1.95 -3.37 132.00 132.99 1jg0 h PRO 104 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jg0 h PRO 104 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1jg0 h PRO 104 CO 0.63 0.21 0.00 -3.47 -0.21 0.00 0.00 178.00 175.15 1jg0 n ASP 105 N -4.72 0.00 -2.90 -2.05 -0.08 -1.26 -4.92 116.55 100.62 1jg0 n ASP 105 Ca 0.29 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.41 1jg0 n ASP 105 Cb 1.02 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.47 1jg0 n ASP 105 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jg0 n GLY 106 N 0.84 3.22 3.34 0.27 0.00 -1.26 -5.08 105.19 106.52 1jg0 n GLY 106 Ca 0.00 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.07 1jg0 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jg0 s ALA 107 N -2.90 2.08 -0.05 4.61 0.00 -1.26 -5.04 121.76 119.20 1jg0 s ALA 107 Ca 0.37 -1.82 -0.04 0.00 0.00 0.00 0.00 51.96 50.47 1jg0 s ALA 107 Cb 0.39 1.28 0.02 0.00 0.00 0.00 0.00 23.12 24.80 1jg0 s ALA 107 CO -0.05 -0.57 0.13 -1.01 0.00 0.00 0.00 175.76 174.26 1jg0 s HIS 108 N -3.46 -0.14 -0.19 0.00 3.76 -1.26 -1.41 115.29 112.59 1jg0 s HIS 108 Ca 0.36 0.36 -0.05 0.00 -0.15 0.00 0.00 55.06 55.59 1jg0 s HIS 108 Cb 0.03 0.03 -0.02 0.00 1.11 0.00 0.00 32.58 33.72 1jg0 s HIS 108 CO 0.23 -0.08 -0.01 0.42 -0.85 0.00 0.00 174.74 174.44 1jg0 s ILE 109 N 0.24 3.84 -0.85 0.60 1.01 -0.12 -4.84 121.20 121.08 1jg0 s ILE 109 Ca -0.01 -0.36 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 1jg0 s ILE 109 Cb -0.03 -2.73 0.13 0.00 0.01 0.00 0.00 42.46 39.85 1jg0 s ILE 109 CO -0.01 0.44 1.02 -0.62 0.00 0.00 0.00 174.94 175.77 1jg0 s ASP 110 N 0.96 6.54 0.31 3.58 -1.08 -1.23 -1.32 116.67 124.44 1jg0 s ASP 110 Ca 0.01 -1.93 0.01 0.00 -0.52 0.00 0.00 52.55 50.11 1jg0 s ASP 110 Cb -0.14 -2.37 0.51 0.00 -1.46 0.00 0.00 42.92 39.45 1jg0 s ASP 110 CO 0.01 -1.06 1.88 1.56 0.52 0.00 0.00 175.17 178.09 1jg0 h GLN 111 N 8.83 0.76 -0.09 4.34 4.20 -1.12 -2.06 115.11 129.97 1jg0 h GLN 111 Ca 0.05 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1jg0 h GLN 111 Cb 1.04 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 1jg0 h GLN 111 CO 1.07 0.65 0.05 0.82 -0.67 0.00 0.00 178.83 180.76 1jg0 h ILE 112 N 0.75 1.09 -0.72 2.54 1.08 -1.78 -0.41 117.51 120.05 1jg0 h ILE 112 Ca 0.17 -0.25 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 1jg0 h ILE 112 Cb 0.20 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 1jg0 h ILE 112 CO -0.01 0.08 0.29 0.74 -0.69 0.00 0.00 178.15 178.55 1jg0 h THR 113 N 0.05 1.25 -0.39 -0.27 2.02 -1.83 -0.53 112.91 113.21 1jg0 h THR 113 Ca 0.03 -0.79 0.06 0.00 0.77 0.00 0.00 66.41 66.48 1jg0 h THR 113 Cb 0.08 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 1jg0 h THR 113 CO -0.01 0.32 0.09 0.74 0.37 0.00 0.00 175.52 177.03 1jg0 h THR 114 N 1.04 0.82 -0.70 3.16 2.02 -1.13 -0.39 112.91 117.73 1jg0 h THR 114 Ca 0.24 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.27 1jg0 h THR 114 Cb 0.22 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1jg0 h THR 114 CO -0.02 0.04 0.15 0.58 0.37 0.00 0.00 175.52 176.64 1jg0 h VAL 115 N 0.22 1.26 -0.31 3.16 2.07 -0.59 -1.28 116.25 120.79 1jg0 h VAL 115 Ca 0.19 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.75 1jg0 h VAL 115 Cb 0.21 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1jg0 h VAL 115 CO -0.23 0.38 0.08 -0.07 0.02 0.00 0.00 177.57 177.75 1jg0 h LEU 116 N 1.06 0.06 -1.01 2.57 3.38 -0.20 -0.80 115.31 120.37 1jg0 h LEU 116 Ca 0.22 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1jg0 h LEU 116 Cb 0.40 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1jg0 h LEU 116 CO 0.01 0.07 -0.03 0.78 0.09 0.00 0.00 178.44 179.36 1jg0 h ASN 117 N 0.20 0.65 -0.10 -0.43 -0.26 -0.88 -1.74 115.58 113.02 1jg0 h ASN 117 Ca 0.14 -0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1jg0 h ASN 117 Cb 0.14 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1jg0 h ASN 117 CO -0.17 0.74 -0.03 1.56 -1.06 0.00 0.00 177.43 178.46 1jg0 h GLN 118 N 0.64 0.20 -0.50 0.81 4.20 -0.84 0.38 115.11 120.00 1jg0 h GLN 118 Ca 0.12 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1jg0 h GLN 118 Cb 0.44 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1jg0 h GLN 118 CO 0.02 0.53 0.33 -0.07 -0.67 0.00 0.00 178.83 178.97 1jg0 h LEU 119 N -0.13 0.57 0.22 1.46 3.38 -1.01 0.90 115.31 120.69 1jg0 h LEU 119 Ca 0.02 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 1jg0 h LEU 119 Cb 0.46 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 41.10 1jg0 h LEU 119 CO 0.01 0.41 -1.46 0.11 0.09 0.00 0.00 178.44 177.60 1jg0 h LYS 120 N 0.67 0.47 -0.01 1.13 1.57 -1.23 -3.35 116.57 115.82 1jg0 h LYS 120 Ca 0.18 -0.80 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1jg0 h LYS 120 Cb -0.07 0.30 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1jg0 h LYS 120 CO -0.04 1.38 -0.14 0.09 -0.57 0.00 0.00 179.45 180.17 1jg0 n ASN 121 N -3.76 1.66 -2.71 0.86 3.02 0.11 -4.76 115.26 109.69 1jg0 n ASN 121 Ca -0.19 -1.33 -0.08 0.00 -0.03 0.00 0.00 54.58 52.95 1jg0 n ASN 121 Cb 1.05 0.26 0.09 0.00 -0.61 0.00 0.00 39.78 40.58 1jg0 n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1jg0 n ASP 122 N 0.20 -2.08 0.28 6.41 2.03 0.31 -5.00 116.55 118.69 1jg0 n ASP 122 Ca 0.06 -3.18 0.18 0.00 0.52 0.00 0.00 54.79 52.37 1jg0 n ASP 122 Cb 0.28 1.65 0.96 0.00 -0.72 0.00 0.00 41.12 43.29 1jg0 n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1jg0 h PRO 123 N 2.65 0.00 -0.04 -0.67 0.13 -1.50 -1.80 132.00 130.77 1jg0 h PRO 123 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1jg0 h PRO 123 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jg0 h PRO 123 CO 0.07 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.59 1jg0 n ASP 124 N -2.78 1.84 -4.64 1.44 8.00 -1.26 -3.96 116.55 115.19 1jg0 n ASP 124 Ca -0.02 -1.63 -0.43 0.00 0.71 0.00 0.00 54.79 53.42 1jg0 n ASP 124 Cb 0.12 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1jg0 n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jg0 n SER 125 N 0.44 1.91 -1.51 -2.24 2.88 -0.68 -4.86 113.62 109.57 1jg0 n SER 125 Ca 0.18 1.15 0.09 0.00 -1.33 0.00 0.00 58.87 58.96 1jg0 n SER 125 Cb 0.40 -1.39 0.34 0.00 -0.75 0.00 0.00 64.21 62.81 1jg0 n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jg0 n ARG 126 N 0.49 3.49 -2.61 -1.46 1.74 -1.26 -4.32 116.66 112.74 1jg0 n ARG 126 Ca 0.07 -2.69 -0.13 0.00 -0.77 0.00 0.00 57.85 54.34 1jg0 n ARG 126 Cb 0.35 -1.83 0.03 0.00 -1.02 0.00 0.00 32.46 29.99 1jg0 n ARG 126 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1jg0 n ARG 127 N 1.12 1.91 -3.08 5.56 1.85 -1.26 -4.98 116.66 117.78 1jg0 n ARG 127 Ca 0.24 -3.64 -0.45 0.00 -1.00 0.00 0.00 57.85 53.00 1jg0 n ARG 127 Cb 0.82 -1.59 -0.02 0.00 -1.05 0.00 0.00 32.46 30.62 1jg0 n ARG 127 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1jg0 s ILE 128 N -3.88 5.09 0.03 8.89 1.01 -1.26 -4.98 121.20 126.10 1jg0 s ILE 128 Ca 0.33 -2.02 0.04 0.00 0.00 0.00 0.00 60.65 59.01 1jg0 s ILE 128 Cb 0.42 -4.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1jg0 s ILE 128 CO -0.03 -1.34 -0.12 -0.63 0.00 0.00 0.00 174.94 172.82 1jg0 s ILE 129 N 1.62 0.95 -0.11 2.92 1.01 -1.26 -0.93 121.20 125.40 1jg0 s ILE 129 Ca 0.28 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1jg0 s ILE 129 Cb -0.07 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.55 1jg0 s ILE 129 CO -0.09 0.02 -0.18 -0.69 0.00 0.00 0.00 174.94 174.00 1jg0 s VAL 130 N -0.74 1.72 -0.04 2.92 1.01 -0.41 -4.89 120.40 119.98 1jg0 s VAL 130 Ca 0.01 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1jg0 s VAL 130 Cb -0.07 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1jg0 s VAL 130 CO 0.01 0.49 -0.18 -0.55 0.00 0.00 0.00 175.10 174.86 1jg0 s SER 131 N 0.79 2.23 0.00 3.32 0.15 -1.26 -1.45 113.70 117.49 1jg0 s SER 131 Ca -0.10 -0.36 0.17 0.00 0.70 0.00 0.00 55.95 56.36 1jg0 s SER 131 Cb -0.16 -0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 63.61 1jg0 s SER 131 CO 0.01 0.18 0.86 0.00 1.20 0.00 0.00 173.24 175.49 1jg0 n ALA 132 N 2.99 3.31 -2.38 5.45 0.00 -0.44 -4.69 120.51 124.74 1jg0 n ALA 132 Ca -0.17 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.30 1jg0 n ALA 132 Cb 0.53 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1jg0 n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1jg0 n TRP 133 N -0.24 4.09 -3.04 0.00 -0.00 -1.19 -4.88 117.44 112.19 1jg0 n TRP 133 Ca 0.07 -2.98 -0.45 0.00 -0.00 0.00 0.00 57.50 54.14 1jg0 n TRP 133 Cb 0.34 -2.38 -0.03 0.00 -0.00 0.00 0.00 31.31 29.24 1jg0 n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1jg0 s ASN 134 N 2.97 6.58 0.33 5.87 3.04 -1.26 -4.90 114.94 127.57 1jg0 s ASN 134 Ca 0.47 -2.05 0.11 0.00 0.04 0.00 0.00 52.86 51.43 1jg0 s ASN 134 Cb 0.06 -2.35 0.92 0.00 -1.54 0.00 0.00 41.25 38.35 1jg0 s ASN 134 CO 0.00 -0.98 1.73 0.58 -3.04 0.00 0.00 177.10 175.39 1jg0 h VAL 135 N 5.61 0.53 0.00 -5.21 2.07 -2.01 -0.49 116.25 116.75 1jg0 h VAL 135 Ca 0.06 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1jg0 h VAL 135 Cb 1.04 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1jg0 h VAL 135 CO 1.03 0.10 -0.02 1.23 0.02 0.00 0.00 177.57 179.93 1jg0 h GLY 136 N 0.55 0.00 -0.36 2.17 0.00 -2.00 -3.15 103.07 100.28 1jg0 h GLY 136 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1jg0 h GLY 136 CO -0.45 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.27 1jg0 n GLU 137 N -3.13 0.80 -0.23 4.80 1.02 -0.26 -4.74 120.64 118.91 1jg0 n GLU 137 Ca -0.00 -1.09 0.03 0.00 -0.02 0.00 0.00 57.16 56.08 1jg0 n GLU 137 Cb 0.26 -1.08 0.15 0.00 -0.02 0.00 0.00 31.44 30.75 1jg0 n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1jg0 h LEU 138 N 0.73 0.02 -0.21 -4.62 4.07 -1.33 -0.59 115.31 113.38 1jg0 h LEU 138 Ca 0.00 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1jg0 h LEU 138 Cb 0.32 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1jg0 h LEU 138 CO 0.00 -0.01 0.00 -0.90 -1.08 0.00 0.00 178.44 176.45 1jg0 n ASP 139 N -5.14 0.15 -0.17 -0.43 5.75 -1.26 -2.10 116.55 113.34 1jg0 n ASP 139 Ca 0.12 0.54 0.11 0.00 -0.01 0.00 0.00 54.79 55.55 1jg0 n ASP 139 Cb 0.39 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 39.89 1jg0 n ASP 139 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jg0 n LYS 140 N -1.67 0.43 -3.16 0.11 5.02 -0.24 -4.95 118.16 113.70 1jg0 n LYS 140 Ca 0.02 -0.35 -0.34 0.00 -2.02 0.00 0.00 58.31 55.62 1jg0 n LYS 140 Cb 0.13 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 1jg0 n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1jg0 s MET 141 N -2.80 4.10 0.37 1.97 -1.94 -0.89 -4.17 119.30 115.93 1jg0 s MET 141 Ca 0.13 0.72 0.09 0.00 -1.71 0.00 0.00 55.69 54.92 1jg0 s MET 141 Cb 0.17 -2.71 0.72 0.00 2.01 0.00 0.00 34.83 35.02 1jg0 s MET 141 CO 0.74 0.31 1.87 0.00 -0.01 0.00 0.00 175.02 177.93 1jg0 h ALA 142 N 2.95 1.42 -3.13 3.03 0.00 -0.84 -3.43 119.26 119.26 1jg0 h ALA 142 Ca -0.48 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.00 1jg0 h ALA 142 Cb 1.18 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.65 1jg0 h ALA 142 CO 0.66 0.41 -0.52 -0.51 0.00 0.00 0.00 179.25 179.28 1jg0 s LEU 143 N -8.61 1.46 0.11 0.00 1.43 -1.26 -5.09 118.68 106.71 1jg0 s LEU 143 Ca -0.05 0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.87 1jg0 s LEU 143 Cb 0.15 0.59 -0.08 0.00 0.03 0.00 0.00 46.19 46.88 1jg0 s LEU 143 CO 0.74 -0.17 1.36 0.00 0.23 0.00 0.00 176.35 178.51 1jg0 s ALA 144 N -0.46 3.56 0.16 4.21 0.00 -1.26 -4.93 121.76 123.04 1jg0 s ALA 144 Ca -0.05 1.08 -0.34 0.00 0.00 0.00 0.00 51.96 52.64 1jg0 s ALA 144 Cb -0.04 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 19.41 1jg0 s ALA 144 CO 0.01 -0.58 1.36 -2.30 0.00 0.00 0.00 175.76 174.25 1jg0 n PRO 145 N 3.91 1.57 -0.09 0.00 -0.02 -1.26 -4.93 135.00 134.19 1jg0 n PRO 145 Ca 0.11 0.56 -0.14 0.00 -2.02 0.00 0.00 63.50 62.02 1jg0 n PRO 145 Cb 0.43 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 1jg0 n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jg0 s HIS 147 N -2.27 3.46 -0.51 0.00 3.76 -1.26 -1.64 115.29 116.83 1jg0 s HIS 147 Ca -0.21 -1.94 0.25 0.00 -0.15 0.00 0.00 55.06 53.01 1jg0 s HIS 147 Cb 0.04 -4.24 0.65 0.00 1.11 0.00 0.00 32.58 30.14 1jg0 s HIS 147 CO 0.42 -1.37 1.71 0.00 -0.85 0.00 0.00 174.74 174.65 1jg0 h ALA 148 N 7.68 1.00 -1.87 -1.40 0.00 -1.72 -3.45 119.26 119.50 1jg0 h ALA 148 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1jg0 h ALA 148 Cb 0.93 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.50 1jg0 h ALA 148 CO 1.16 0.00 0.24 0.12 0.00 0.00 0.00 179.25 180.77 1jg0 s PHE 149 N -3.21 -0.67 -0.01 0.00 5.36 -1.21 -1.32 117.98 116.92 1jg0 s PHE 149 Ca 0.08 1.57 -0.09 0.00 -0.96 0.00 0.00 56.93 57.53 1jg0 s PHE 149 Cb 0.08 0.32 0.01 0.00 -0.34 0.00 0.00 43.02 43.09 1jg0 s PHE 149 CO 0.61 -0.36 0.18 -0.59 -1.46 0.00 0.00 175.22 173.61 1jg0 s PHE 150 N 0.10 -0.03 0.02 10.12 -0.71 -0.53 -0.21 117.98 126.74 1jg0 s PHE 150 Ca -0.00 0.01 0.04 0.00 -1.04 0.00 0.00 56.93 55.93 1jg0 s PHE 150 Cb -0.04 -0.00 -0.02 0.00 -1.21 0.00 0.00 43.02 41.75 1jg0 s PHE 150 CO 0.00 -0.30 -0.12 -1.14 -1.34 0.00 0.00 175.22 172.32 1jg0 s GLN 151 N -1.28 0.86 0.26 1.99 0.74 -0.15 -1.29 119.66 120.80 1jg0 s GLN 151 Ca -0.14 -0.57 0.07 0.00 0.05 0.00 0.00 55.36 54.77 1jg0 s GLN 151 Cb -0.07 -0.83 -0.03 0.00 1.10 0.00 0.00 33.01 33.18 1jg0 s GLN 151 CO 0.02 0.22 0.25 -0.06 -0.55 0.00 0.00 175.29 175.17 1jg0 s PHE 152 N -0.59 3.16 -0.10 1.67 0.40 -0.10 -0.41 117.98 122.01 1jg0 s PHE 152 Ca 0.02 -0.12 -0.20 0.00 -0.60 0.00 0.00 56.93 56.04 1jg0 s PHE 152 Cb -0.06 -1.50 0.05 0.00 0.51 0.00 0.00 43.02 42.01 1jg0 s PHE 152 CO 0.00 0.45 0.48 -0.47 0.70 0.00 0.00 175.22 176.38 1jg0 s TYR 153 N -2.12 -0.46 -0.06 0.36 6.14 -0.62 -4.57 117.35 116.02 1jg0 s TYR 153 Ca 0.34 0.97 0.03 0.00 0.64 0.00 0.00 57.07 59.05 1jg0 s TYR 153 Cb -0.08 0.21 0.01 0.00 0.42 0.00 0.00 41.96 42.51 1jg0 s TYR 153 CO 0.26 -0.38 -0.15 0.08 0.64 0.00 0.00 175.55 176.01 1jg0 s VAL 154 N -0.54 1.28 -0.09 3.14 1.01 -1.25 -0.16 120.40 123.78 1jg0 s VAL 154 Ca -0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1jg0 s VAL 154 Cb -0.03 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.25 1jg0 s VAL 154 CO 0.04 0.38 0.23 0.00 0.00 0.00 0.00 175.10 175.75 1jg0 s ALA 155 N 0.37 -0.54 -1.59 5.51 0.00 -0.98 -4.84 121.76 119.69 1jg0 s ALA 155 Ca -0.10 0.83 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 1jg0 s ALA 155 Cb -0.14 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.52 1jg0 s ALA 155 CO 0.03 -0.16 0.24 -0.25 0.00 0.00 0.00 175.76 175.62 1jg0 n ASP 156 N 3.68 -0.06 -0.61 0.00 8.00 -1.26 -0.48 116.55 125.82 1jg0 n ASP 156 Ca -0.20 -1.20 -0.08 0.00 0.71 0.00 0.00 54.79 54.02 1jg0 n ASP 156 Cb 0.55 -1.96 -0.03 0.00 -0.02 0.00 0.00 41.12 39.65 1jg0 n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jg0 n GLY 157 N -2.13 0.89 3.43 0.44 0.00 -1.26 -4.99 105.19 101.56 1jg0 n GLY 157 Ca -0.22 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1jg0 n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jg0 s LYS 158 N -2.40 2.78 -0.26 1.61 1.02 0.36 -1.38 119.74 121.48 1jg0 s LYS 158 Ca 0.00 -0.71 -0.16 0.00 0.02 0.00 0.00 55.97 55.12 1jg0 s LYS 158 Cb 0.00 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.83 1jg0 s LYS 158 CO 0.00 0.48 0.44 -1.17 -0.92 0.00 0.00 175.35 174.18 1jg0 s LEU 159 N -0.35 4.06 0.33 3.17 2.96 0.21 -2.31 118.68 126.75 1jg0 s LEU 159 Ca 0.03 0.42 0.08 0.00 -0.22 0.00 0.00 54.13 54.45 1jg0 s LEU 159 Cb -0.12 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 1jg0 s LEU 159 CO 0.02 -0.22 0.15 -0.44 -1.32 0.00 0.00 176.35 174.55 1jg0 s SER 160 N 1.52 4.78 -0.22 3.68 0.01 0.77 0.25 113.70 124.49 1jg0 s SER 160 Ca 0.18 -0.71 -0.17 0.00 1.31 0.00 0.00 55.95 56.57 1jg0 s SER 160 Cb -0.16 -0.80 0.06 0.00 0.21 0.00 0.00 66.02 65.34 1jg0 s SER 160 CO 0.09 -0.27 0.56 0.00 0.41 0.00 0.00 173.24 174.03 1jg0 s GLN 162 N 0.76 2.95 -0.09 0.00 0.74 0.46 -0.51 119.66 123.96 1jg0 s GLN 162 Ca -0.04 -0.87 -0.02 0.00 0.05 0.00 0.00 55.36 54.48 1jg0 s GLN 162 Cb -0.05 -2.26 -0.03 0.00 1.10 0.00 0.00 33.01 31.77 1jg0 s GLN 162 CO -0.06 0.21 -0.00 -1.17 -0.55 0.00 0.00 175.29 173.72 1jg0 s LEU 163 N 0.28 3.56 -0.27 3.68 2.96 -0.44 -0.98 118.68 127.46 1jg0 s LEU 163 Ca -0.17 0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 1jg0 s LEU 163 Cb -0.17 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 1jg0 s LEU 163 CO 0.08 0.36 0.07 -0.47 -1.32 0.00 0.00 176.35 175.07 1jg0 s TYR 164 N -0.80 3.11 -0.27 5.38 5.04 0.70 -1.44 117.35 129.08 1jg0 s TYR 164 Ca 0.12 -0.80 -0.04 0.00 -2.44 0.00 0.00 57.07 53.91 1jg0 s TYR 164 Cb -0.11 -2.24 0.01 0.00 0.35 0.00 0.00 41.96 39.97 1jg0 s TYR 164 CO 0.02 -0.51 0.01 -1.14 -1.34 0.00 0.00 175.55 172.59 1jg0 s GLN 165 N 1.53 3.03 0.40 4.97 0.74 0.24 -2.63 119.66 127.95 1jg0 s GLN 165 Ca 0.04 -0.87 0.18 0.00 0.05 0.00 0.00 55.36 54.76 1jg0 s GLN 165 Cb -0.16 -3.17 0.86 0.00 1.10 0.00 0.00 33.01 31.64 1jg0 s GLN 165 CO 0.02 -0.39 1.84 0.07 -0.55 0.00 0.00 175.29 176.28 1jg0 h ARG 166 N 8.13 0.00 -2.95 1.67 0.11 -1.61 0.16 114.38 119.88 1jg0 h ARG 166 Ca -0.33 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.59 1jg0 h ARG 166 Cb 1.12 0.00 -0.27 0.00 1.11 0.00 0.00 29.97 31.93 1jg0 h ARG 166 CO 0.59 0.32 -0.40 0.45 0.10 0.00 0.00 179.97 181.04 1jg0 s SER 167 N -6.56 -0.33 -0.06 0.08 0.15 -1.26 -1.11 113.70 104.60 1jg0 s SER 167 Ca -0.02 0.63 -0.03 0.00 0.70 0.00 0.00 55.95 57.23 1jg0 s SER 167 Cb 0.13 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 65.04 1jg0 s SER 167 CO 0.68 -0.14 0.12 0.00 1.20 0.00 0.00 173.24 175.09 1jg0 s ASP 169 N 2.02 6.18 0.22 0.00 -1.08 -1.26 -1.14 116.67 121.61 1jg0 s ASP 169 Ca 0.01 -0.90 -0.08 0.00 -0.52 0.00 0.00 52.55 51.06 1jg0 s ASP 169 Cb -0.12 -2.44 0.28 0.00 -1.46 0.00 0.00 42.92 39.18 1jg0 s ASP 169 CO -0.05 -1.48 1.80 0.58 0.52 0.00 0.00 175.17 176.54 1jg0 h VAL 170 N 5.98 0.92 0.05 1.11 2.07 -1.45 0.14 116.25 125.08 1jg0 h VAL 170 Ca -0.29 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1jg0 h VAL 170 Cb 1.07 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1jg0 h VAL 170 CO 1.19 0.12 -0.02 0.15 0.02 0.00 0.00 177.57 179.03 1jg0 h PHE 171 N 0.66 -0.06 0.07 1.57 3.57 -1.91 -3.36 116.94 117.47 1jg0 h PHE 171 Ca 0.32 -0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.56 1jg0 h PHE 171 Cb 0.26 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1jg0 h PHE 171 CO -0.09 0.48 -1.39 1.25 -2.23 0.00 0.00 178.31 176.34 1jg0 h LEU 172 N -0.67 0.22 0.00 0.59 5.85 -1.95 -3.43 115.31 115.92 1jg0 h LEU 172 Ca -0.01 -0.75 -0.15 0.00 0.84 0.00 0.00 57.88 57.81 1jg0 h LEU 172 Cb 0.58 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1jg0 h LEU 172 CO 0.01 1.58 -0.81 1.23 -0.34 0.00 0.00 178.44 180.12 1jg0 h GLY 173 N -0.19 0.00 -0.41 3.75 0.00 -1.23 -3.41 103.07 101.59 1jg0 h GLY 173 Ca -0.33 -0.01 0.30 0.00 0.00 0.00 0.00 47.33 47.29 1jg0 h GLY 173 CO -0.04 0.01 0.58 -2.00 0.00 0.00 0.00 176.54 175.09 1jg0 h LEU 174 N -0.99 0.56 -0.89 3.11 5.85 -1.46 -1.08 115.31 120.40 1jg0 h LEU 174 Ca -0.22 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1jg0 h LEU 174 Cb 1.20 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1jg0 h LEU 174 CO -0.13 -0.07 0.57 -0.65 -0.34 0.00 0.00 178.44 177.82 1jg0 h PRO 175 N 0.40 1.19 -0.20 5.25 0.11 -1.78 -0.62 132.00 136.35 1jg0 h PRO 175 Ca 0.71 -0.09 -0.19 0.00 0.11 0.00 0.00 66.00 66.54 1jg0 h PRO 175 Cb 1.55 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1jg0 h PRO 175 CO -0.57 0.81 -0.65 0.74 -0.21 0.00 0.00 178.00 178.12 1jg0 h PHE 176 N 1.22 0.96 -0.62 0.65 0.05 -1.48 -2.89 116.94 114.83 1jg0 h PHE 176 Ca 0.32 -0.38 0.01 0.00 3.82 0.00 0.00 57.97 61.75 1jg0 h PHE 176 Cb -0.10 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 37.65 1jg0 h PHE 176 CO -0.00 1.18 0.40 -0.91 -0.18 0.00 0.00 178.31 178.80 1jg0 h ASN 177 N 0.54 0.68 -0.61 2.17 -0.26 -0.88 -0.65 115.58 116.56 1jg0 h ASN 177 Ca -0.02 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.65 1jg0 h ASN 177 Cb 1.25 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 38.33 1jg0 h ASN 177 CO 0.13 0.48 0.14 0.40 -1.06 0.00 0.00 177.43 177.53 1jg0 h ILE 178 N 0.81 1.25 -0.41 2.81 2.04 -1.12 -2.95 117.51 119.94 1jg0 h ILE 178 Ca 0.24 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1jg0 h ILE 178 Cb -0.05 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1jg0 h ILE 178 CO -0.07 0.34 0.10 0.00 0.00 0.00 0.00 178.15 178.53 1jg0 h ALA 179 N 1.04 0.54 0.11 1.87 0.00 -1.26 -1.35 119.26 120.21 1jg0 h ALA 179 Ca 0.19 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jg0 h ALA 179 Cb 0.36 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1jg0 h ALA 179 CO 0.00 0.22 -0.24 0.77 0.00 0.00 0.00 179.25 180.01 1jg0 h SER 180 N 0.53 -0.67 0.40 0.00 0.02 -1.06 -0.66 113.55 112.11 1jg0 h SER 180 Ca 0.13 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 1jg0 h SER 180 Cb 0.31 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1jg0 h SER 180 CO 0.00 -0.32 -0.48 1.88 -1.14 0.00 0.00 176.83 176.77 1jg0 h TYR 181 N -0.43 0.13 -0.65 3.45 0.05 -1.52 -1.53 116.97 116.47 1jg0 h TYR 181 Ca 0.03 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1jg0 h TYR 181 Cb 0.46 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.14 1jg0 h TYR 181 CO -0.22 0.57 0.18 0.00 -1.05 0.00 0.00 178.16 177.63 1jg0 h ALA 182 N 1.43 0.85 -0.43 3.88 0.00 -0.96 -1.45 119.26 122.58 1jg0 h ALA 182 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1jg0 h ALA 182 Cb 0.89 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1jg0 h ALA 182 CO 0.07 0.55 0.20 1.25 0.00 0.00 0.00 179.25 181.31 1jg0 h LEU 183 N 0.95 0.57 -1.05 0.00 5.85 -0.73 -2.23 115.31 118.67 1jg0 h LEU 183 Ca 0.21 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1jg0 h LEU 183 Cb 0.33 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1jg0 h LEU 183 CO -0.00 0.55 0.48 0.25 -0.34 0.00 0.00 178.44 179.38 1jg0 h LEU 184 N 0.55 1.01 -0.80 2.25 5.85 -0.94 -0.94 115.31 122.28 1jg0 h LEU 184 Ca 0.15 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1jg0 h LEU 184 Cb 0.13 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1jg0 h LEU 184 CO -0.02 0.79 0.40 0.58 -0.34 0.00 0.00 178.44 179.86 1jg0 h VAL 185 N 1.16 1.25 -0.57 1.05 2.07 -1.00 0.22 116.25 120.43 1jg0 h VAL 185 Ca 0.30 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1jg0 h VAL 185 Cb -0.02 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1jg0 h VAL 185 CO -0.05 0.29 0.04 0.45 0.02 0.00 0.00 177.57 178.32 1jg0 h HIS 186 N 1.13 1.06 -0.12 1.57 3.86 -0.74 0.67 115.15 122.58 1jg0 h HIS 186 Ca 0.28 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1jg0 h HIS 186 Cb 0.10 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 1jg0 h HIS 186 CO 0.01 0.94 0.00 0.52 0.86 0.00 0.00 177.93 180.26 1jg0 h MET 187 N 0.87 0.21 -0.48 2.45 2.07 -0.81 -1.25 114.93 118.00 1jg0 h MET 187 Ca 0.17 -0.06 0.02 0.00 -2.07 0.00 0.00 59.70 57.75 1jg0 h MET 187 Cb 0.49 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.17 1jg0 h MET 187 CO 0.02 0.45 0.29 0.52 1.07 0.00 0.00 176.91 179.26 1jg0 h MET 188 N -0.06 0.58 -0.59 1.72 2.86 -0.51 -0.53 114.93 118.40 1jg0 h MET 188 Ca 0.03 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1jg0 h MET 188 Cb 0.35 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1jg0 h MET 188 CO 0.01 0.38 0.31 0.00 1.06 0.00 0.00 176.91 178.67 1jg0 h ALA 189 N 1.20 0.76 -0.12 6.32 0.00 -0.81 -1.05 119.26 125.55 1jg0 h ALA 189 Ca 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jg0 h ALA 189 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1jg0 h ALA 189 CO -0.07 0.29 0.06 0.37 0.00 0.00 0.00 179.25 179.90 1jg0 h GLN 190 N 0.80 0.17 0.00 0.00 4.15 -0.82 0.44 115.11 119.85 1jg0 h GLN 190 Ca 0.21 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1jg0 h GLN 190 Cb 0.06 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 1jg0 h GLN 190 CO -0.03 0.21 -0.07 1.96 -1.93 0.00 0.00 178.83 178.97 1jg0 h GLN 191 N 0.09 0.00 -0.50 1.69 1.08 -0.88 -2.26 115.11 114.33 1jg0 h GLN 191 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1jg0 h GLN 191 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1jg0 h GLN 191 CO -0.01 0.07 0.00 0.00 -0.95 0.00 0.00 178.83 177.94 1jg0 n ASP 193 N 0.85 -2.72 -4.32 0.00 2.03 -0.11 -4.92 116.55 107.37 1jg0 n ASP 193 Ca 0.18 -0.88 -0.17 0.00 0.52 0.00 0.00 54.79 54.45 1jg0 n ASP 193 Cb 0.58 -3.92 -0.10 0.00 -0.72 0.00 0.00 41.12 36.96 1jg0 n ASP 193 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jg0 s LEU 194 N -6.51 2.10 0.60 -2.67 1.43 -0.05 -5.04 118.68 108.56 1jg0 s LEU 194 Ca 0.17 -1.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.00 1jg0 s LEU 194 Cb -0.05 -0.20 0.04 0.00 0.03 0.00 0.00 46.19 46.00 1jg0 s LEU 194 CO 0.82 -0.56 0.87 -1.61 0.23 0.00 0.00 176.35 176.11 1jg0 s GLU 195 N -3.90 2.52 0.10 1.70 0.41 -0.48 -4.36 118.70 114.69 1jg0 s GLU 195 Ca 0.29 -0.45 -0.21 0.00 -0.41 0.00 0.00 54.97 54.19 1jg0 s GLU 195 Cb 0.06 -2.35 -0.07 0.00 -1.78 0.00 0.00 34.13 29.99 1jg0 s GLU 195 CO 0.09 -0.86 0.62 0.14 -0.49 0.00 0.00 175.26 174.76 1jg0 s VAL 196 N -2.95 4.64 0.00 2.63 -7.23 -1.26 -0.62 120.40 115.61 1jg0 s VAL 196 Ca 0.57 1.35 0.00 0.00 -1.81 0.00 0.00 61.98 62.09 1jg0 s VAL 196 Cb -0.10 -3.96 0.00 0.00 0.56 0.00 0.00 36.38 32.87 1jg0 s VAL 196 CO 0.42 0.54 0.00 0.61 -0.31 0.00 0.00 175.10 176.36 1jg0 n GLY 197 N 1.70 1.05 3.77 2.32 0.00 0.14 -4.46 105.19 109.70 1jg0 n GLY 197 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1jg0 n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jg0 s ASP 198 N -0.28 5.63 -0.29 1.61 1.01 -1.25 -1.15 116.67 121.95 1jg0 s ASP 198 Ca 0.00 0.13 -0.08 0.00 0.71 0.00 0.00 52.55 53.31 1jg0 s ASP 198 Cb 0.00 -1.60 -0.01 0.00 1.01 0.00 0.00 42.92 42.32 1jg0 s ASP 198 CO 0.00 0.27 0.11 0.12 0.21 0.00 0.00 175.17 175.88 1jg0 s PHE 199 N -1.19 3.14 -0.26 4.23 5.36 0.51 -1.12 117.98 128.65 1jg0 s PHE 199 Ca 0.23 -0.60 -0.09 0.00 -0.96 0.00 0.00 56.93 55.51 1jg0 s PHE 199 Cb -0.12 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1jg0 s PHE 199 CO 0.14 -0.45 0.11 0.08 -1.46 0.00 0.00 175.22 173.64 1jg0 s VAL 200 N 1.59 4.66 -0.21 3.12 1.01 0.33 -0.75 120.40 130.15 1jg0 s VAL 200 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1jg0 s VAL 200 Cb -0.16 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1jg0 s VAL 200 CO 0.05 0.31 0.10 0.86 0.00 0.00 0.00 175.10 176.42 1jg0 s TRP 201 N 1.62 3.24 -0.10 5.22 -0.00 0.83 -1.33 118.94 128.42 1jg0 s TRP 201 Ca 0.06 0.04 0.03 0.00 -0.00 0.00 0.00 56.10 56.24 1jg0 s TRP 201 Cb -0.15 -2.17 0.01 0.00 -0.00 0.00 0.00 33.47 31.15 1jg0 s TRP 201 CO 0.06 0.04 -0.20 0.99 -0.00 0.00 0.00 176.95 177.84 1jg0 s THR 202 N 0.82 1.80 0.18 5.86 2.01 -0.52 -0.89 115.64 124.90 1jg0 s THR 202 Ca 0.05 -0.85 0.10 0.00 0.31 0.00 0.00 61.69 61.30 1jg0 s THR 202 Cb -0.13 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1jg0 s THR 202 CO 0.02 0.50 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.48 1jg0 s GLY 203 N 0.60 1.72 0.00 4.40 0.00 0.56 -0.60 107.32 114.01 1jg0 s GLY 203 Ca -0.14 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1jg0 s GLY 203 CO 0.04 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.21 1jg0 n GLY 204 N 0.12 0.31 3.55 0.20 0.00 0.54 -2.33 105.19 107.59 1jg0 n GLY 204 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1jg0 n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jg0 s ASP 205 N -1.00 5.82 -0.30 1.61 -1.08 -0.26 -1.52 116.67 119.94 1jg0 s ASP 205 Ca 0.00 -0.08 -0.09 0.00 -0.52 0.00 0.00 52.55 51.86 1jg0 s ASP 205 Cb 0.00 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.90 1jg0 s ASP 205 CO 0.00 -2.03 0.14 -0.89 0.52 0.00 0.00 175.17 172.91 1jg0 s THR 206 N 7.02 4.56 0.26 1.71 2.01 -0.58 -1.13 115.64 129.48 1jg0 s THR 206 Ca 0.49 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1jg0 s THR 206 Cb -0.10 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1jg0 s THR 206 CO 0.18 0.12 0.06 -1.38 -0.69 0.00 0.00 174.62 172.91 1jg0 s HIS 207 N 1.62 1.59 -0.11 4.92 -3.43 -0.29 -1.39 115.29 118.20 1jg0 s HIS 207 Ca 0.05 -1.07 -0.00 0.00 -0.80 0.00 0.00 55.06 53.24 1jg0 s HIS 207 Cb -0.17 -0.95 0.02 0.00 -1.43 0.00 0.00 32.58 30.06 1jg0 s HIS 207 CO 0.06 -0.19 -0.09 -1.17 -2.00 0.00 0.00 174.74 171.35 1jg0 s LEU 208 N -3.33 1.27 0.48 5.38 2.96 -0.54 -0.98 118.68 123.92 1jg0 s LEU 208 Ca 0.34 -0.32 -0.23 0.00 -0.22 0.00 0.00 54.13 53.71 1jg0 s LEU 208 Cb 0.07 -0.87 -0.07 0.00 0.50 0.00 0.00 46.19 45.82 1jg0 s LEU 208 CO 0.12 -0.10 1.21 -0.31 -1.32 0.00 0.00 176.35 175.95 1jg0 s TYR 209 N 1.59 2.74 0.37 5.38 2.02 -1.26 -0.87 117.35 127.32 1jg0 s TYR 209 Ca 0.03 1.50 0.06 0.00 -0.37 0.00 0.00 57.07 58.29 1jg0 s TYR 209 Cb -0.13 -3.47 0.76 0.00 -0.40 0.00 0.00 41.96 38.72 1jg0 s TYR 209 CO -0.07 -1.81 1.99 0.77 -1.57 0.00 0.00 175.55 174.86 1jg0 h SER 210 N 1.89 0.63 -0.10 2.29 0.02 -0.83 -1.79 113.55 115.65 1jg0 h SER 210 Ca -0.50 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1jg0 h SER 210 Cb 1.26 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1jg0 h SER 210 CO 0.59 0.42 0.00 -0.46 -1.14 0.00 0.00 176.83 176.25 1jg0 n ASN 211 N -4.47 1.68 -0.09 3.07 6.94 -1.26 -3.11 115.26 118.02 1jg0 n ASN 211 Ca 0.09 -2.14 0.03 0.00 -0.02 0.00 0.00 54.58 52.53 1jg0 n ASN 211 Cb 0.17 -0.48 0.05 0.00 -2.36 0.00 0.00 39.78 37.16 1jg0 n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1jg0 n HIS 212 N 0.08 0.06 -0.17 -2.53 8.25 -0.67 -4.77 115.22 115.47 1jg0 n HIS 212 Ca 0.05 -0.61 -0.09 0.00 -0.26 0.00 0.00 57.72 56.80 1jg0 n HIS 212 Cb 0.38 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1jg0 n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1jg0 h MET 213 N 0.20 0.75 -0.50 -0.41 2.86 -1.69 0.02 114.93 116.17 1jg0 h MET 213 Ca 0.00 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1jg0 h MET 213 Cb 0.65 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1jg0 h MET 213 CO 0.01 0.73 0.20 -0.44 1.06 0.00 0.00 176.91 178.46 1jg0 h ASP 214 N 0.64 0.69 -0.70 1.22 3.32 -1.88 -0.40 116.42 119.31 1jg0 h ASP 214 Ca 0.15 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1jg0 h ASP 214 Cb 0.30 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1jg0 h ASP 214 CO -0.00 0.67 0.35 1.56 -1.72 0.00 0.00 179.24 180.10 1jg0 h GLN 215 N 0.66 1.00 -0.18 3.56 7.50 -1.88 -1.31 115.11 124.45 1jg0 h GLN 215 Ca 0.17 -0.14 -0.02 0.00 0.50 0.00 0.00 58.65 59.16 1jg0 h GLN 215 Cb 0.20 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 1jg0 h GLN 215 CO -0.01 0.77 0.04 1.15 -1.50 0.00 0.00 178.83 179.28 1jg0 h THR 216 N 0.97 1.21 -0.81 -0.54 2.02 -0.54 0.98 112.91 116.20 1jg0 h THR 216 Ca 0.24 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1jg0 h THR 216 Cb 0.09 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 1jg0 h THR 216 CO -0.03 0.21 0.41 0.45 0.37 0.00 0.00 175.52 176.93 1jg0 h HIS 217 N 0.10 1.13 0.02 3.16 3.86 -0.98 0.47 115.15 122.91 1jg0 h HIS 217 Ca 0.06 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1jg0 h HIS 217 Cb 0.28 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1jg0 h HIS 217 CO 0.01 0.80 -0.01 1.25 0.86 0.00 0.00 177.93 180.85 1jg0 h LEU 218 N 1.14 -0.02 -1.13 2.43 5.85 -0.91 -2.78 115.31 119.89 1jg0 h LEU 218 Ca 0.28 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1jg0 h LEU 218 Cb 0.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1jg0 h LEU 218 CO -0.04 0.16 -0.04 -0.61 -0.34 0.00 0.00 178.44 177.57 1jg0 h GLN 219 N -0.19 0.57 0.00 1.25 4.15 -0.43 -1.40 115.11 119.06 1jg0 h GLN 219 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1jg0 h GLN 219 Cb 0.19 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1jg0 h GLN 219 CO 0.00 0.62 0.00 -0.07 -1.93 0.00 0.00 178.83 177.45 1jg0 h LEU 220 N 0.54 0.00 -0.59 -2.39 3.38 -0.80 -1.86 115.31 113.59 1jg0 h LEU 220 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jg0 h LEU 220 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1jg0 h LEU 220 CO 0.02 0.00 -0.12 -1.54 0.09 0.00 0.00 178.44 176.89 1jg0 n SER 221 N -2.67 1.04 -4.88 -0.43 3.41 -0.53 -4.87 113.62 104.70 1jg0 n SER 221 Ca -0.00 -1.06 -0.36 0.00 -0.26 0.00 0.00 58.87 57.18 1jg0 n SER 221 Cb 0.17 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 1jg0 n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jg0 s ARG 222 N -2.28 3.50 0.04 4.33 0.52 -0.70 -5.09 118.95 119.27 1jg0 s ARG 222 Ca 0.32 -0.10 -0.21 0.00 -0.52 0.00 0.00 55.73 55.22 1jg0 s ARG 222 Cb 0.20 -3.16 -0.06 0.00 0.52 0.00 0.00 34.95 32.45 1jg0 s ARG 222 CO 0.43 0.74 0.61 -2.00 0.02 0.00 0.00 175.30 175.10 1jg0 s GLU 223 N -1.26 4.30 0.59 3.54 2.56 -1.26 -5.00 118.70 122.16 1jg0 s GLU 223 Ca 0.19 0.78 -0.18 0.00 0.00 0.00 0.00 54.97 55.76 1jg0 s GLU 223 Cb -0.13 -3.30 -0.03 0.00 2.00 0.00 0.00 34.13 32.67 1jg0 s GLU 223 CO 0.09 0.48 1.19 -2.14 -0.56 0.00 0.00 175.26 174.31 1jg0 s PRO 224 N -0.60 3.00 0.40 4.30 0.02 -1.26 -4.80 135.00 136.05 1jg0 s PRO 224 Ca 0.31 1.75 0.08 0.00 0.02 0.00 0.00 61.00 63.16 1jg0 s PRO 224 Cb -0.19 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 1jg0 s PRO 224 CO 0.19 -1.17 0.21 1.03 -0.33 0.00 0.00 177.00 176.93 1jg0 s ARG 225 N -3.40 2.30 0.21 5.54 0.52 -1.26 -5.06 118.95 117.81 1jg0 s ARG 225 Ca 0.76 -1.74 -0.32 0.00 -0.52 0.00 0.00 55.73 53.91 1jg0 s ARG 225 Cb -0.28 -2.09 -0.14 0.00 0.52 0.00 0.00 34.95 32.96 1jg0 s ARG 225 CO 0.33 -0.09 1.30 -2.30 0.02 0.00 0.00 175.30 174.56 1jg0 n PRO 226 N -1.28 1.66 -1.94 3.54 -0.02 -1.26 -4.87 135.00 130.83 1jg0 n PRO 226 Ca -0.01 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 1jg0 n PRO 226 Cb 0.63 -2.18 -0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1jg0 n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jg0 s LEU 227 N 0.34 4.28 0.00 2.45 1.02 -1.26 -4.74 118.68 120.78 1jg0 s LEU 227 Ca 0.70 2.84 -0.16 0.00 0.02 0.00 0.00 54.13 57.54 1jg0 s LEU 227 Cb -0.74 -3.77 0.22 0.00 0.02 0.00 0.00 46.19 41.93 1jg0 s LEU 227 CO 0.51 -0.84 1.07 -0.81 0.02 0.00 0.00 176.35 176.30 1jg0 n PRO 228 N 0.34 -1.81 -4.73 1.29 -0.04 -1.25 -4.73 135.00 124.06 1jg0 n PRO 228 Ca 0.02 -1.67 -0.26 0.00 -0.04 0.00 0.00 63.50 61.55 1jg0 n PRO 228 Cb 0.41 -1.28 -0.16 0.00 -0.04 0.00 0.00 33.50 32.43 1jg0 n PRO 228 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jg0 s LYS 229 N -5.37 1.80 0.08 0.54 -0.14 -0.03 -0.97 119.74 115.65 1jg0 s LYS 229 Ca 0.64 -0.53 -0.25 0.00 -1.36 0.00 0.00 55.97 54.46 1jg0 s LYS 229 Cb -0.03 -1.51 -0.06 0.00 -1.68 0.00 0.00 37.83 34.55 1jg0 s LYS 229 CO 0.46 0.14 0.79 -1.17 -0.76 0.00 0.00 175.35 174.81 1jg0 s LEU 230 N 0.33 4.49 -0.13 3.17 2.96 -1.26 -1.24 118.68 127.01 1jg0 s LEU 230 Ca -0.10 1.53 0.02 0.00 -0.22 0.00 0.00 54.13 55.36 1jg0 s LEU 230 Cb -0.14 -3.28 -0.00 0.00 0.50 0.00 0.00 46.19 43.27 1jg0 s LEU 230 CO 0.03 0.06 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.31 1jg0 s ILE 231 N -0.34 2.51 -0.28 6.68 -1.09 0.21 -4.98 121.20 123.91 1jg0 s ILE 231 Ca 0.39 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.93 1jg0 s ILE 231 Cb -0.21 -2.02 0.04 0.00 -1.58 0.00 0.00 42.46 38.68 1jg0 s ILE 231 CO 0.24 0.54 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.85 1jg0 s ILE 232 N 0.50 3.07 0.47 2.92 1.01 -1.26 -1.21 121.20 126.70 1jg0 s ILE 232 Ca -0.12 -1.16 0.14 0.00 0.00 0.00 0.00 60.65 59.50 1jg0 s ILE 232 Cb -0.16 -2.66 0.23 0.00 0.01 0.00 0.00 42.46 39.87 1jg0 s ILE 232 CO 0.05 0.03 2.07 0.11 0.00 0.00 0.00 174.94 177.19 1jg0 h LYS 233 N 8.04 0.09 -3.85 2.79 1.57 -1.17 -3.45 116.57 120.59 1jg0 h LYS 233 Ca -0.27 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 1jg0 h LYS 233 Cb 1.09 -0.02 -0.13 0.00 0.08 0.00 0.00 32.23 33.25 1jg0 h LYS 233 CO 0.56 0.14 -0.34 -0.98 -0.57 0.00 0.00 179.45 178.26 1jg0 s ARG 234 N -4.96 1.02 -0.47 3.15 1.70 -1.26 -5.12 118.95 113.02 1jg0 s ARG 234 Ca -0.05 -1.08 -0.15 0.00 -0.47 0.00 0.00 55.73 53.98 1jg0 s ARG 234 Cb 0.16 0.36 0.07 0.00 -0.57 0.00 0.00 34.95 34.98 1jg0 s ARG 234 CO 0.69 -0.36 0.39 0.21 -1.08 0.00 0.00 175.30 175.16 1jg0 s LYS 235 N -3.92 2.96 1.05 3.89 2.20 -1.26 -5.07 119.74 119.60 1jg0 s LYS 235 Ca 0.12 -1.36 -0.12 0.00 -0.36 0.00 0.00 55.97 54.25 1jg0 s LYS 235 Cb 0.04 -4.12 0.22 0.00 -1.51 0.00 0.00 37.83 32.46 1jg0 s LYS 235 CO -0.05 -1.03 1.07 -2.14 -0.36 0.00 0.00 175.35 172.85 1jg0 s PRO 236 N 1.63 -0.04 0.00 4.03 0.02 -1.26 -4.91 135.00 134.48 1jg0 s PRO 236 Ca 0.04 1.07 0.28 0.00 0.02 0.00 0.00 61.00 62.41 1jg0 s PRO 236 Cb -0.24 -1.64 1.30 0.00 0.02 0.00 0.00 34.50 33.94 1jg0 s PRO 236 CO 0.06 -3.20 1.93 -0.85 -0.33 0.00 0.00 177.00 174.62 1jg0 n GLU 237 N -4.58 0.21 -3.52 5.54 0.28 -1.26 -4.87 120.64 112.44 1jg0 n GLU 237 Ca 0.06 0.02 -0.08 0.00 -0.16 0.00 0.00 57.16 57.01 1jg0 n GLU 237 Cb 0.54 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.89 1jg0 n GLU 237 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1jg0 s SER 238 N -2.78 -0.34 0.27 -1.84 1.04 -1.26 -5.01 113.70 103.78 1jg0 s SER 238 Ca 0.20 -0.02 0.20 0.00 0.48 0.00 0.00 55.95 56.81 1jg0 s SER 238 Cb 0.18 0.38 1.00 0.00 0.10 0.00 0.00 66.02 67.68 1jg0 s SER 238 CO 0.46 -0.61 1.61 0.00 0.98 0.00 0.00 173.24 175.68 1jg0 n ILE 239 N -0.25 1.07 0.44 -1.02 0.13 -1.26 -1.30 119.36 117.17 1jg0 n ILE 239 Ca -0.08 0.57 0.12 0.00 -1.10 0.00 0.00 62.75 62.26 1jg0 n ILE 239 Cb 0.62 -1.54 0.21 0.00 -0.84 0.00 0.00 39.64 38.08 1jg0 n ILE 239 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1jg0 n PHE 240 N -2.16 0.42 -1.04 9.51 3.72 -1.26 -4.37 117.46 122.27 1jg0 n PHE 240 Ca -0.00 -0.21 0.08 0.00 -0.05 0.00 0.00 57.45 57.27 1jg0 n PHE 240 Cb 0.09 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.85 1jg0 n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1jg0 n ASP 241 N 1.45 3.38 -4.82 4.37 9.92 -0.42 -4.97 116.55 125.46 1jg0 n ASP 241 Ca 0.19 -3.08 -0.32 0.00 -0.53 0.00 0.00 54.79 51.04 1jg0 n ASP 241 Cb 0.60 -0.52 0.01 0.00 -0.64 0.00 0.00 41.12 40.57 1jg0 n ASP 241 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1jg0 s TYR 242 N -2.87 3.17 0.13 1.24 1.51 -1.26 -4.83 117.35 114.44 1jg0 s TYR 242 Ca 0.39 1.47 0.06 0.00 -1.01 0.00 0.00 57.07 57.98 1jg0 s TYR 242 Cb 0.33 -2.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 1jg0 s TYR 242 CO 0.07 -0.94 -0.15 1.03 -1.11 0.00 0.00 175.55 174.45 1jg0 s ARG 243 N -4.36 1.07 0.19 -0.62 0.52 -1.26 -5.04 118.95 109.45 1jg0 s ARG 243 Ca 0.61 -1.28 -0.13 0.00 -0.52 0.00 0.00 55.73 54.41 1jg0 s ARG 243 Cb -0.14 -0.97 0.21 0.00 0.52 0.00 0.00 34.95 34.57 1jg0 s ARG 243 CO 0.41 0.19 1.69 0.35 0.02 0.00 0.00 175.30 177.96 1jg0 h PHE 244 N 3.43 0.04 0.00 -0.53 3.57 -1.97 -0.89 116.94 120.59 1jg0 h PHE 244 Ca -0.40 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1jg0 h PHE 244 Cb 1.20 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1jg0 h PHE 244 CO 0.66 -0.08 0.00 -0.85 -2.23 0.00 0.00 178.31 175.81 1jg0 n GLU 245 N -5.19 0.02 0.24 1.11 0.28 -1.26 -2.32 120.64 113.52 1jg0 n GLU 245 Ca 0.06 0.37 0.13 0.00 -0.16 0.00 0.00 57.16 57.56 1jg0 n GLU 245 Cb 0.27 -1.50 0.50 0.00 1.43 0.00 0.00 31.44 32.14 1jg0 n GLU 245 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1jg0 h ASP 246 N 0.00 0.00 -2.78 -1.84 3.32 -1.55 -3.46 116.42 110.11 1jg0 h ASP 246 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1jg0 h ASP 246 Cb 0.07 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1jg0 h ASP 246 CO 0.00 0.10 -0.50 -0.36 -1.72 0.00 0.00 179.24 176.77 1jg0 s PHE 247 N -3.56 3.54 -0.02 4.55 0.08 -0.98 -0.57 117.98 121.02 1jg0 s PHE 247 Ca 0.02 0.39 -0.15 0.00 0.12 0.00 0.00 56.93 57.31 1jg0 s PHE 247 Cb 0.09 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1jg0 s PHE 247 CO 0.60 0.67 0.33 -2.00 -0.10 0.00 0.00 175.22 174.72 1jg0 s GLU 248 N -1.67 0.68 -0.08 0.44 2.12 -0.35 -4.99 118.70 114.84 1jg0 s GLU 248 Ca 0.24 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.44 1jg0 s GLU 248 Cb -0.12 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.58 1jg0 s GLU 248 CO 0.14 -0.19 -0.15 0.42 -0.54 0.00 0.00 175.26 174.95 1jg0 s ILE 249 N -1.28 1.39 0.18 -3.70 1.01 -1.26 0.64 121.20 118.19 1jg0 s ILE 249 Ca -0.13 -0.62 0.11 0.00 0.00 0.00 0.00 60.65 60.01 1jg0 s ILE 249 Cb -0.05 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1jg0 s ILE 249 CO 0.04 0.41 -0.24 -1.83 0.00 0.00 0.00 174.94 173.33 1jg0 s GLU 250 N 0.70 1.46 -0.45 2.79 -1.05 -0.38 -4.74 118.70 117.04 1jg0 s GLU 250 Ca -0.13 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.22 1jg0 s GLU 250 Cb -0.16 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 1jg0 s GLU 250 CO 0.03 0.39 0.00 0.41 0.95 0.00 0.00 175.26 177.04 1jg0 n GLY 251 N 0.39 0.51 3.55 -3.83 0.00 -1.26 -0.85 105.19 103.70 1jg0 n GLY 251 Ca -0.14 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1jg0 n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jg0 s TYR 252 N -2.19 3.15 -0.50 1.61 5.04 -1.26 -4.14 117.35 119.06 1jg0 s TYR 252 Ca 0.00 0.14 0.07 0.00 -2.44 0.00 0.00 57.07 54.84 1jg0 s TYR 252 Cb 0.00 -3.05 0.25 0.00 0.35 0.00 0.00 41.96 39.51 1jg0 s TYR 252 CO 0.00 -0.63 0.61 -3.47 -1.34 0.00 0.00 175.55 170.72 1jg0 n ASP 253 N 5.89 1.71 -4.82 4.32 2.03 -1.26 -5.09 116.55 119.33 1jg0 n ASP 253 Ca -0.04 -3.01 -0.30 0.00 0.52 0.00 0.00 54.79 51.97 1jg0 n ASP 253 Cb 0.49 -0.65 0.08 0.00 -0.72 0.00 0.00 41.12 40.31 1jg0 n ASP 253 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1jg0 s PRO 254 N -1.71 2.31 0.87 -0.67 0.04 -1.26 -4.90 135.00 129.68 1jg0 s PRO 254 Ca 0.37 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 1jg0 s PRO 254 Cb 0.16 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.86 1jg0 s PRO 254 CO -0.07 -1.46 1.11 -1.01 0.04 0.00 0.00 177.00 175.62 1jg0 s HIS 255 N -3.20 2.60 0.50 0.56 3.76 0.11 -4.84 115.29 114.78 1jg0 s HIS 255 Ca 0.60 1.01 -0.22 0.00 -0.15 0.00 0.00 55.06 56.30 1jg0 s HIS 255 Cb -0.14 -3.25 -0.08 0.00 1.11 0.00 0.00 32.58 30.22 1jg0 s HIS 255 CO 0.54 -2.16 1.14 -2.30 -0.85 0.00 0.00 174.74 171.11 1jg0 n PRO 256 N -3.66 1.45 -1.72 8.40 -0.02 -1.26 -1.67 135.00 136.51 1jg0 n PRO 256 Ca 0.07 0.53 -0.35 0.00 -2.02 0.00 0.00 63.50 61.73 1jg0 n PRO 256 Cb 0.58 -2.28 0.06 0.00 -0.02 0.00 0.00 33.50 31.84 1jg0 n PRO 256 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jg0 s GLY 257 N -0.86 2.51 -0.21 -1.23 0.00 -1.26 -3.66 107.32 102.61 1jg0 s GLY 257 Ca 0.68 0.91 0.01 0.00 0.00 0.00 0.00 44.72 46.31 1jg0 s GLY 257 CO 0.53 1.31 -0.14 -0.42 0.00 0.00 0.00 173.10 174.37 1jg0 s ILE 258 N -1.84 2.33 0.48 0.90 1.01 -1.26 -4.84 121.20 117.99 1jg0 s ILE 258 Ca 0.75 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 1jg0 s ILE 258 Cb -0.29 -2.11 -0.09 0.00 0.01 0.00 0.00 42.46 39.98 1jg0 s ILE 258 CO 0.40 0.35 0.98 -0.54 0.00 0.00 0.00 174.94 176.13 1jg0 s LYS 259 N 1.27 4.02 -0.06 2.79 -0.14 -1.26 -5.05 119.74 121.31 1jg0 s LYS 259 Ca 0.01 1.10 -0.30 0.00 -1.36 0.00 0.00 55.97 55.42 1jg0 s LYS 259 Cb -0.15 -2.14 0.07 0.00 -1.68 0.00 0.00 37.83 33.92 1jg0 s LYS 259 CO -0.09 -0.21 0.67 0.00 -0.76 0.00 0.00 175.35 174.96 1jg0 s ALA 260 N -2.32 -1.75 0.26 5.17 0.00 -1.26 -4.97 121.76 116.89 1jg0 s ALA 260 Ca 0.62 1.32 -0.30 0.00 0.00 0.00 0.00 51.96 53.60 1jg0 s ALA 260 Cb -0.11 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 1jg0 s ALA 260 CO 0.22 -0.37 1.02 -1.25 0.00 0.00 0.00 175.76 175.38 1jg0 s PRO 261 N -1.14 4.74 0.01 0.00 0.04 -1.26 -5.04 135.00 132.35 1jg0 s PRO 261 Ca -0.11 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.41 1jg0 s PRO 261 Cb -0.00 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 1jg0 s PRO 261 CO 0.10 0.36 0.45 0.54 0.04 0.00 0.00 177.00 178.48 1jg0 s VAL 262 N -1.19 4.96 -2.00 -0.36 0.11 -1.26 -4.97 120.40 115.69 1jg0 s VAL 262 Ca 0.43 0.94 0.25 0.00 -2.93 0.00 0.00 61.98 60.67 1jg0 s VAL 262 Cb -0.29 -3.76 0.71 0.00 -1.53 0.00 0.00 36.38 31.52 1jg0 s VAL 262 CO 0.36 0.57 1.86 0.00 -3.33 0.00 0.00 175.10 174.56