#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dm6 n PHE 47 N 0.00 0.00 -0.19 0.66 0.99 -1.26 -4.87 117.46 112.79 3dm6 n PHE 47 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3dm6 n PHE 47 Cb 0.00 -0.06 0.09 0.00 -1.00 0.00 0.00 39.48 38.51 3dm6 n PHE 47 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 3dm6 h VAL 48 N 0.00 0.56 -0.94 -4.37 -1.51 -2.01 0.14 116.25 108.11 3dm6 h VAL 48 Ca 0.00 -0.05 0.29 0.00 -1.23 0.00 0.00 66.70 65.71 3dm6 h VAL 48 Cb 0.00 0.40 -0.16 0.00 -2.13 0.00 0.00 31.29 29.40 3dm6 h VAL 48 CO 0.00 0.03 0.26 -0.33 -1.23 0.00 0.00 177.57 176.30 3dm6 h GLU 1 N 0.14 0.12 0.00 5.19 3.07 -1.94 -1.69 114.58 119.47 3dm6 h GLU 1 Ca 0.30 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3dm6 h GLU 1 Cb 0.47 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3dm6 h GLU 1 CO -0.47 0.08 -0.22 0.52 -1.40 0.00 0.00 179.01 177.52 3dm6 h MET 2 N 0.12 0.00 -6.48 2.33 2.86 -0.92 -3.45 114.93 109.39 3dm6 h MET 2 Ca 0.64 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.68 3dm6 h MET 2 Cb 1.41 0.00 0.06 0.00 0.06 0.00 0.00 31.60 33.13 3dm6 h MET 2 CO -0.75 0.00 0.73 0.28 1.06 0.00 0.00 176.91 178.23 3dm6 n VAL 3 N -2.95 0.09 -2.61 -2.22 0.31 -0.64 -3.02 118.33 107.29 3dm6 n VAL 3 Ca 0.03 -0.02 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 3dm6 n VAL 3 Cb 0.53 -1.43 0.02 0.00 -0.91 0.00 0.00 33.84 32.04 3dm6 n VAL 3 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3dm6 n ASP 4 N 3.18 -3.66 -0.27 4.52 2.03 -1.23 -4.93 116.55 116.19 3dm6 n ASP 4 Ca 0.17 -0.13 0.08 0.00 0.52 0.00 0.00 54.79 55.43 3dm6 n ASP 4 Cb 0.28 -2.56 0.37 0.00 -0.72 0.00 0.00 41.12 38.49 3dm6 n ASP 4 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3dm6 n ASN 5 N -0.22 0.81 -4.46 1.67 0.23 -1.13 -4.83 115.26 107.33 3dm6 n ASN 5 Ca -0.05 -1.66 -0.33 0.00 -0.53 0.00 0.00 54.58 52.01 3dm6 n ASN 5 Cb 0.56 -0.06 -0.13 0.00 -2.08 0.00 0.00 39.78 38.06 3dm6 n ASN 5 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3dm6 s LEU 6 N -1.44 2.79 0.43 -4.53 1.43 -0.66 -4.31 118.68 112.39 3dm6 s LEU 6 Ca 0.25 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3dm6 s LEU 6 Cb 0.13 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 3dm6 s LEU 6 CO 0.20 0.30 0.10 -0.13 0.23 0.00 0.00 176.35 177.05 3dm6 s ARG 7 N -0.47 1.98 0.00 1.70 1.81 -0.70 -2.14 118.95 121.13 3dm6 s ARG 7 Ca 0.06 -2.22 0.00 0.00 -1.72 0.00 0.00 55.73 51.85 3dm6 s ARG 7 Cb -0.12 -0.82 0.00 0.00 -0.45 0.00 0.00 34.95 33.56 3dm6 s ARG 7 CO 0.02 -0.44 0.00 0.41 -0.68 0.00 0.00 175.30 174.60 3dm6 n GLY 8 N -0.98 1.32 3.60 -3.53 0.00 -0.82 -1.28 105.19 103.51 3dm6 n GLY 8 Ca -0.09 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 3dm6 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dm6 s LYS 9 N -2.00 3.17 -0.31 1.61 -2.85 -1.26 -3.56 119.74 114.54 3dm6 s LYS 9 Ca 0.00 -0.47 -0.39 0.00 -1.00 0.00 0.00 55.97 54.11 3dm6 s LYS 9 Cb 0.00 -2.79 -0.15 0.00 -2.06 0.00 0.00 37.83 32.83 3dm6 s LYS 9 CO 0.00 0.54 1.91 0.45 0.10 0.00 0.00 175.35 178.35 3dm6 n SER 10 N 2.63 2.23 0.00 0.03 2.88 -1.26 -1.30 113.62 118.83 3dm6 n SER 10 Ca -0.18 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 3dm6 n SER 10 Cb 0.53 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 3dm6 n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dm6 n GLY 11 N 5.14 0.94 0.00 0.46 0.00 -1.26 -4.95 105.19 105.52 3dm6 n GLY 11 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3dm6 n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dm6 n GLN 12 N -1.47 0.48 0.00 1.61 6.02 -0.42 -5.08 117.38 118.52 3dm6 n GLN 12 Ca 0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.40 3dm6 n GLN 12 Cb 0.00 -0.71 0.00 0.00 1.02 0.00 0.00 30.24 30.55 3dm6 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dm6 n GLY 13 N -0.11 3.05 3.71 1.08 0.00 -1.26 -4.87 105.19 106.78 3dm6 n GLY 13 Ca 0.00 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 3dm6 n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dm6 s TYR 14 N -1.68 3.40 0.06 1.61 1.51 -1.26 -4.36 117.35 116.63 3dm6 s TYR 14 Ca 0.00 0.44 0.07 0.00 -1.01 0.00 0.00 57.07 56.57 3dm6 s TYR 14 Cb 0.00 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 3dm6 s TYR 14 CO 0.00 0.18 -0.19 1.52 -1.11 0.00 0.00 175.55 175.95 3dm6 s TYR 15 N 0.69 1.69 0.11 2.71 -0.85 -0.40 -1.56 117.35 119.74 3dm6 s TYR 15 Ca 0.12 -0.39 0.06 0.00 -0.52 0.00 0.00 57.07 56.35 3dm6 s TYR 15 Cb -0.13 -0.98 -0.04 0.00 0.38 0.00 0.00 41.96 41.19 3dm6 s TYR 15 CO 0.03 0.11 -0.03 0.54 -1.52 0.00 0.00 175.55 174.68 3dm6 s VAL 16 N -0.92 3.75 0.08 -3.49 0.11 -0.49 -1.72 120.40 117.72 3dm6 s VAL 16 Ca 0.06 -1.18 -0.21 0.00 -2.93 0.00 0.00 61.98 57.72 3dm6 s VAL 16 Cb -0.09 -2.80 -0.07 0.00 -1.53 0.00 0.00 36.38 31.89 3dm6 s VAL 16 CO 0.02 0.06 0.63 -0.70 -3.33 0.00 0.00 175.10 171.78 3dm6 s GLU 17 N -2.43 4.32 0.21 1.54 2.12 -1.26 -0.80 118.70 122.40 3dm6 s GLU 17 Ca 0.25 0.84 -0.01 0.00 0.36 0.00 0.00 54.97 56.41 3dm6 s GLU 17 Cb -0.11 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 3dm6 s GLU 17 CO 0.17 0.55 0.13 -1.64 -0.54 0.00 0.00 175.26 173.93 3dm6 s MET 18 N -0.88 1.23 0.05 4.30 -1.94 -0.45 -3.90 119.30 117.71 3dm6 s MET 18 Ca 0.31 -1.65 0.05 0.00 -1.71 0.00 0.00 55.69 52.69 3dm6 s MET 18 Cb -0.20 0.22 -0.02 0.00 2.01 0.00 0.00 34.83 36.83 3dm6 s MET 18 CO 0.20 -0.38 -0.14 0.95 -0.01 0.00 0.00 175.02 175.64 3dm6 s THR 19 N -4.11 1.07 -0.02 2.05 -4.23 0.22 -1.73 115.64 108.89 3dm6 s THR 19 Ca 0.39 -1.07 -0.00 0.00 -1.18 0.00 0.00 61.69 59.82 3dm6 s THR 19 Cb 0.07 -0.99 0.03 0.00 1.34 0.00 0.00 72.50 72.95 3dm6 s THR 19 CO 0.12 -0.08 0.03 0.68 -0.54 0.00 0.00 174.62 174.84 3dm6 s VAL 20 N -0.98 -0.05 0.00 2.29 -7.23 -0.87 -1.60 120.40 111.96 3dm6 s VAL 20 Ca -0.00 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 3dm6 s VAL 20 Cb -0.08 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.75 3dm6 s VAL 20 CO 0.01 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 3dm6 n GLY 21 N 4.41 -0.41 3.46 2.32 0.00 -0.87 -1.75 105.19 112.34 3dm6 n GLY 21 Ca -0.23 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 3dm6 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dm6 s SER 22 N -1.92 5.36 0.61 1.61 0.01 -1.26 -0.29 113.70 117.83 3dm6 s SER 22 Ca 0.00 -0.30 -0.17 0.00 1.31 0.00 0.00 55.95 56.79 3dm6 s SER 22 Cb 0.00 -1.97 -0.02 0.00 0.21 0.00 0.00 66.02 64.24 3dm6 s SER 22 CO 0.00 -0.09 1.13 -2.16 0.41 0.00 0.00 173.24 172.53 3dm6 s PRO 23 N 1.63 2.99 -0.08 12.44 0.04 -1.26 -0.74 135.00 150.02 3dm6 s PRO 23 Ca 0.06 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 3dm6 s PRO 23 Cb -0.16 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3dm6 s PRO 23 CO 0.05 -1.12 1.40 -1.25 0.04 0.00 0.00 177.00 176.12 3dm6 s PRO 24 N -3.72 4.24 -0.02 0.56 0.04 0.60 -4.88 135.00 131.82 3dm6 s PRO 24 Ca 0.70 1.89 -0.21 0.00 0.04 0.00 0.00 61.00 63.42 3dm6 s PRO 24 Cb -0.23 -3.75 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 3dm6 s PRO 24 CO 0.35 -0.68 0.60 -0.65 0.04 0.00 0.00 177.00 176.67 3dm6 s GLN 25 N 3.20 4.34 -0.33 4.56 -0.21 -0.72 -4.86 119.66 125.64 3dm6 s GLN 25 Ca 0.62 0.73 -0.18 0.00 0.02 0.00 0.00 55.36 56.55 3dm6 s GLN 25 Cb -0.28 -3.37 -0.01 0.00 1.00 0.00 0.00 33.01 30.36 3dm6 s GLN 25 CO 0.23 0.31 0.53 0.99 -2.12 0.00 0.00 175.29 175.22 3dm6 s THR 26 N 0.02 5.01 0.01 -0.19 2.01 -1.26 -2.05 115.64 119.19 3dm6 s THR 26 Ca 0.32 0.53 0.05 0.00 0.31 0.00 0.00 61.69 62.89 3dm6 s THR 26 Cb -0.18 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 3dm6 s THR 26 CO 0.17 -0.14 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.05 3dm6 s LEU 27 N 2.42 2.08 -0.06 4.42 1.43 -0.71 -4.96 118.68 123.30 3dm6 s LEU 27 Ca 0.20 -0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 52.71 3dm6 s LEU 27 Cb -0.15 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 3dm6 s LEU 27 CO 0.12 0.13 0.85 0.20 0.23 0.00 0.00 176.35 177.88 3dm6 s ASN 28 N -0.62 7.15 -0.15 2.29 0.02 -1.26 -1.34 114.94 121.03 3dm6 s ASN 28 Ca 0.04 1.39 0.00 0.00 -1.02 0.00 0.00 52.86 53.28 3dm6 s ASN 28 Cb -0.06 -2.49 0.03 0.00 0.02 0.00 0.00 41.25 38.74 3dm6 s ASN 28 CO 0.00 -0.24 -0.13 -0.63 0.02 0.00 0.00 177.10 176.13 3dm6 s ILE 29 N 1.16 1.51 0.11 0.60 -1.09 0.02 -0.92 121.20 122.59 3dm6 s ILE 29 Ca 0.44 -0.64 -0.31 0.00 -2.23 0.00 0.00 60.65 57.91 3dm6 s ILE 29 Cb -0.19 -1.46 -0.09 0.00 -1.58 0.00 0.00 42.46 39.15 3dm6 s ILE 29 CO 0.21 0.41 1.58 -0.22 -1.23 0.00 0.00 174.94 175.69 3dm6 s LEU 30 N 1.50 4.36 -0.41 2.97 2.96 0.40 -1.39 118.68 129.07 3dm6 s LEU 30 Ca 0.04 2.50 -0.23 0.00 -0.22 0.00 0.00 54.13 56.22 3dm6 s LEU 30 Cb -0.13 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.00 3dm6 s LEU 30 CO -0.10 -0.83 0.80 -0.69 -1.32 0.00 0.00 176.35 174.21 3dm6 s VAL 31 N 1.85 4.67 -0.24 1.68 1.01 -0.60 0.07 120.40 128.83 3dm6 s VAL 31 Ca 0.71 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 63.37 3dm6 s VAL 31 Cb -0.41 -4.28 0.07 0.00 0.00 0.00 0.00 36.38 31.76 3dm6 s VAL 31 CO 0.31 -0.60 0.00 -0.62 0.00 0.00 0.00 175.10 174.20 3dm6 s ASP 32 N 2.01 3.64 0.00 3.32 2.15 0.34 -3.80 116.67 124.32 3dm6 s ASP 32 Ca 0.31 -1.19 0.09 0.00 0.43 0.00 0.00 52.55 52.20 3dm6 s ASP 32 Cb -0.12 -0.97 0.26 0.00 -0.30 0.00 0.00 42.92 41.78 3dm6 s ASP 32 CO 0.20 -0.29 1.22 0.35 -0.17 0.00 0.00 175.17 176.48 3dm6 n THR 33 N 4.79 0.38 0.11 1.71 -2.24 -1.26 -0.46 114.28 117.31 3dm6 n THR 33 Ca -0.09 -0.39 0.05 0.00 -2.27 0.00 0.00 64.05 61.36 3dm6 n THR 33 Cb 0.45 0.19 0.09 0.00 -2.10 0.00 0.00 70.33 68.96 3dm6 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dm6 n GLY 34 N 0.96 1.29 1.75 3.38 0.00 -1.26 -4.31 105.19 107.00 3dm6 n GLY 34 Ca 0.10 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 3dm6 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dm6 n SER 35 N 0.49 -0.51 0.00 1.61 3.41 -1.25 -5.00 113.62 112.37 3dm6 n SER 35 Ca 0.08 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 3dm6 n SER 35 Cb 0.34 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 3dm6 n SER 35 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dm6 n SER 36 N -2.13 0.00 -4.83 4.04 7.64 -1.26 -0.64 113.62 116.44 3dm6 n SER 36 Ca 0.03 -1.00 -0.38 0.00 1.01 0.00 0.00 58.87 58.53 3dm6 n SER 36 Cb 0.32 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.46 3dm6 n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3dm6 s ASN 37 N 0.00 6.87 -0.20 6.43 -0.87 -1.26 -4.44 114.94 121.47 3dm6 s ASN 37 Ca 0.00 1.04 -0.17 0.00 -1.57 0.00 0.00 52.86 52.16 3dm6 s ASN 37 Cb 0.00 -2.28 -0.04 0.00 -0.02 0.00 0.00 41.25 38.92 3dm6 s ASN 37 CO 0.00 0.30 0.46 0.12 -2.57 0.00 0.00 177.10 175.40 3dm6 s PHE 38 N -1.12 3.38 -0.09 2.20 5.99 -1.26 -1.07 117.98 126.01 3dm6 s PHE 38 Ca 0.26 0.70 -0.12 0.00 0.00 0.00 0.00 56.93 57.77 3dm6 s PHE 38 Cb -0.17 -2.59 0.03 0.00 0.00 0.00 0.00 43.02 40.28 3dm6 s PHE 38 CO 0.15 -0.05 0.31 0.00 -0.00 0.00 0.00 175.22 175.63 3dm6 s ALA 39 N 1.45 -0.76 0.04 11.12 0.00 -0.33 -2.33 121.76 130.95 3dm6 s ALA 39 Ca 0.22 0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.93 3dm6 s ALA 39 Cb -0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3dm6 s ALA 39 CO 0.09 -0.18 -0.14 0.14 0.00 0.00 0.00 175.76 175.67 3dm6 s VAL 40 N -0.25 1.10 0.18 0.00 -7.23 -0.61 -0.29 120.40 113.29 3dm6 s VAL 40 Ca -0.04 -0.99 -0.33 0.00 -1.81 0.00 0.00 61.98 58.81 3dm6 s VAL 40 Cb -0.03 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.78 3dm6 s VAL 40 CO 0.01 0.00 1.57 0.61 -0.31 0.00 0.00 175.10 176.98 3dm6 n GLY 41 N 1.91 1.12 1.19 2.32 0.00 -0.28 0.10 105.19 111.55 3dm6 n GLY 41 Ca -0.18 0.62 0.04 0.00 0.00 0.00 0.00 46.02 46.51 3dm6 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dm6 n ALA 42 N 3.21 2.63 -3.62 4.61 0.00 -0.45 -0.76 120.51 126.12 3dm6 n ALA 42 Ca 0.16 -2.48 -0.07 0.00 0.00 0.00 0.00 53.44 51.05 3dm6 n ALA 42 Cb 0.30 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 3dm6 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dm6 s ALA 43 N -0.80 -2.04 0.46 0.00 0.00 -1.23 -4.82 121.76 113.32 3dm6 s ALA 43 Ca 0.32 1.74 -0.25 0.00 0.00 0.00 0.00 51.96 53.78 3dm6 s ALA 43 Cb 0.36 -1.28 -0.08 0.00 0.00 0.00 0.00 23.12 22.11 3dm6 s ALA 43 CO -0.13 -0.23 1.38 -2.30 0.00 0.00 0.00 175.76 174.47 3dm6 n PRO 44 N 1.17 2.07 -3.73 0.00 -0.02 -1.26 -4.99 135.00 128.23 3dm6 n PRO 44 Ca -0.08 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3dm6 n PRO 44 Cb 0.57 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.38 3dm6 n PRO 44 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3dm6 s HIS 45 N -1.21 -0.44 -1.25 6.00 2.46 -1.26 -5.04 115.29 114.55 3dm6 s HIS 45 Ca 0.63 1.01 0.00 0.00 0.47 0.00 0.00 55.06 57.17 3dm6 s HIS 45 Cb -0.46 0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.15 3dm6 s HIS 45 CO 0.56 -0.24 0.77 -0.35 -2.47 0.00 0.00 174.74 173.01 3dm6 n PRO 46 N 3.48 0.00 0.00 2.88 -0.04 -1.26 0.35 135.00 140.40 3dm6 n PRO 46 Ca -0.18 0.28 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 3dm6 n PRO 46 Cb 0.56 -1.53 0.04 0.00 -0.04 0.00 0.00 33.50 32.54 3dm6 n PRO 46 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dm6 n PHE 47 N -1.27 0.00 -3.96 0.54 0.99 -1.26 -5.00 117.46 107.51 3dm6 n PHE 47 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.12 3dm6 n PHE 47 Cb 0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.46 3dm6 n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3dm6 s LEU 48 N -1.04 4.23 -0.00 4.37 1.43 0.15 -4.68 118.68 123.15 3dm6 s LEU 48 Ca 0.13 0.27 0.10 0.00 -1.03 0.00 0.00 54.13 53.60 3dm6 s LEU 48 Cb 0.10 -2.59 -0.12 0.00 0.03 0.00 0.00 46.19 43.61 3dm6 s LEU 48 CO 0.16 0.24 0.40 1.41 0.23 0.00 0.00 176.35 178.79 3dm6 n HIS 49 N 0.86 0.00 -3.92 0.29 8.25 -1.26 -4.69 115.22 114.75 3dm6 n HIS 49 Ca -0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.26 3dm6 n HIS 49 Cb 0.52 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 3dm6 n HIS 49 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3dm6 s ARG 50 N -2.13 1.96 -0.08 -0.41 1.70 -1.26 -5.17 118.95 113.56 3dm6 s ARG 50 Ca 0.02 -1.42 -0.32 0.00 -0.47 0.00 0.00 55.73 53.54 3dm6 s ARG 50 Cb 0.08 0.55 0.12 0.00 -0.57 0.00 0.00 34.95 35.12 3dm6 s ARG 50 CO 0.43 -0.88 1.09 1.52 -1.08 0.00 0.00 175.30 176.38 3dm6 s TYR 51 N -3.05 -0.19 -0.02 5.89 -0.85 -1.26 -4.98 117.35 112.89 3dm6 s TYR 51 Ca 0.20 0.09 -0.33 0.00 -0.52 0.00 0.00 57.07 56.51 3dm6 s TYR 51 Cb -0.03 0.54 -0.11 0.00 0.38 0.00 0.00 41.96 42.73 3dm6 s TYR 51 CO 0.13 -0.38 1.88 0.98 -1.52 0.00 0.00 175.55 176.64 3dm6 n TYR 52 N -0.22 2.40 -3.77 -3.49 9.36 0.06 -4.95 117.16 116.55 3dm6 n TYR 52 Ca -0.04 -0.09 -0.36 0.00 3.32 0.00 0.00 57.90 60.73 3dm6 n TYR 52 Cb 0.60 -2.70 -0.11 0.00 -0.63 0.00 0.00 39.34 36.50 3dm6 n TYR 52 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3dm6 s GLN 53 N 3.78 2.06 0.56 2.98 -0.21 -1.26 -4.41 119.66 123.15 3dm6 s GLN 53 Ca 0.90 -1.90 0.33 0.00 0.02 0.00 0.00 55.36 54.70 3dm6 s GLN 53 Cb -0.61 -3.60 1.63 0.00 1.00 0.00 0.00 33.01 31.43 3dm6 s GLN 53 CO 0.47 -1.09 2.11 0.00 -2.12 0.00 0.00 175.29 174.66 3dm6 h ARG 54 N 7.93 0.00 -0.15 2.91 3.08 -1.93 -2.43 114.38 123.79 3dm6 h ARG 54 Ca -0.12 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 3dm6 h ARG 54 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3dm6 h ARG 54 CO 0.70 0.07 -0.45 -0.56 -1.07 0.00 0.00 179.97 178.66 3dm6 h GLN 55 N 0.00 0.57 -0.34 0.04 -0.00 -2.02 -3.23 115.11 110.13 3dm6 h GLN 55 Ca -0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 3dm6 h GLN 55 Cb 0.32 0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 3dm6 h GLN 55 CO 0.01 1.03 0.00 1.28 -0.00 0.00 0.00 178.83 181.15 3dm6 n LEU 56 N -4.24 0.34 -4.34 0.06 4.77 -0.92 -4.68 117.00 107.99 3dm6 n LEU 56 Ca -0.07 -0.17 -0.28 0.00 -0.03 0.00 0.00 56.01 55.46 3dm6 n LEU 56 Cb 0.56 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 3dm6 n LEU 56 CO 0.46 0.08 -0.55 -0.55 -1.33 0.00 0.00 177.39 175.50 3dm6 s SER 57 N -0.76 3.01 -0.18 -1.43 0.15 -1.22 -4.30 113.70 108.98 3dm6 s SER 57 Ca 0.00 -0.66 0.13 0.00 0.70 0.00 0.00 55.95 56.12 3dm6 s SER 57 Cb 0.00 -0.22 -0.23 0.00 -1.71 0.00 0.00 66.02 63.85 3dm6 s SER 57 CO 0.00 0.18 0.13 -1.54 1.20 0.00 0.00 173.24 173.21 3dm6 n SER 58 N 1.33 0.64 -0.21 5.45 3.41 0.08 -4.43 113.62 119.89 3dm6 n SER 58 Ca -0.18 0.05 0.09 0.00 -0.26 0.00 0.00 58.87 58.57 3dm6 n SER 58 Cb 0.53 0.45 0.42 0.00 -0.26 0.00 0.00 64.21 65.36 3dm6 n SER 58 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dm6 n THR 59 N -2.94 0.09 -1.58 6.66 -2.24 -1.26 -4.85 114.28 108.16 3dm6 n THR 59 Ca -0.33 -0.14 -0.47 0.00 -2.27 0.00 0.00 64.05 60.85 3dm6 n THR 59 Cb 1.10 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.27 3dm6 n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dm6 n TYR 60 N -0.33 2.00 -2.82 4.78 9.36 -1.26 -4.55 117.16 124.33 3dm6 n TYR 60 Ca 0.13 -0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.12 3dm6 n TYR 60 Cb 0.16 -2.66 0.02 0.00 -0.63 0.00 0.00 39.34 36.22 3dm6 n TYR 60 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3dm6 s ARG 61 N 5.60 2.89 0.08 2.98 0.52 -0.12 -5.01 118.95 125.89 3dm6 s ARG 61 Ca 1.00 -0.52 0.10 0.00 -0.52 0.00 0.00 55.73 55.79 3dm6 s ARG 61 Cb -0.58 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 3dm6 s ARG 61 CO 0.44 -0.45 -0.26 0.34 0.02 0.00 0.00 175.30 175.39 3dm6 s ASP 62 N -4.29 3.13 0.00 0.23 2.15 -1.26 -3.11 116.67 113.52 3dm6 s ASP 62 Ca 0.51 -0.65 0.16 0.00 0.43 0.00 0.00 52.55 53.01 3dm6 s ASP 62 Cb -0.10 -0.25 -0.00 0.00 -0.30 0.00 0.00 42.92 42.27 3dm6 s ASP 62 CO 0.39 0.21 0.86 0.18 -0.17 0.00 0.00 175.17 176.63 3dm6 n LEU 63 N 1.42 1.64 -3.34 -1.34 4.77 -1.26 -4.81 117.00 114.08 3dm6 n LEU 63 Ca -0.17 -0.77 -0.12 0.00 -0.03 0.00 0.00 56.01 54.91 3dm6 n LEU 63 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 3dm6 n LEU 63 CO 0.23 0.31 0.12 0.54 -1.33 0.00 0.00 177.39 177.26 3dm6 n ARG 64 N -0.10 -1.46 -3.76 3.23 1.74 -1.26 -4.90 116.66 110.14 3dm6 n ARG 64 Ca 0.07 1.10 -0.12 0.00 -0.77 0.00 0.00 57.85 58.12 3dm6 n ARG 64 Cb 0.34 -4.78 -0.08 0.00 -1.02 0.00 0.00 32.46 26.92 3dm6 n ARG 64 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3dm6 s LYS 65 N -4.07 0.74 0.14 5.56 2.47 -1.26 -5.03 119.74 118.29 3dm6 s LYS 65 Ca 0.14 -0.36 0.03 0.00 -1.56 0.00 0.00 55.97 54.21 3dm6 s LYS 65 Cb -0.04 0.32 -0.04 0.00 -1.46 0.00 0.00 37.83 36.62 3dm6 s LYS 65 CO 0.80 -0.22 0.25 0.20 0.16 0.00 0.00 175.35 176.54 3dm6 s GLY 66 N -1.72 1.74 -0.14 5.54 0.00 -1.26 -1.86 107.32 109.62 3dm6 s GLY 66 Ca -0.09 -1.05 -0.12 0.00 0.00 0.00 0.00 44.72 43.46 3dm6 s GLY 66 CO 0.00 -1.05 0.37 0.54 0.00 0.00 0.00 173.10 172.96 3dm6 s VAL 67 N -1.72 -0.00 -0.11 1.40 0.11 0.34 -4.79 120.40 115.63 3dm6 s VAL 67 Ca 0.34 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.42 3dm6 s VAL 67 Cb -0.11 -0.53 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 3dm6 s VAL 67 CO 0.27 0.01 -0.13 -0.47 -3.33 0.00 0.00 175.10 171.45 3dm6 s TYR 68 N 0.39 1.82 -0.15 1.54 5.04 -1.26 -0.62 117.35 124.11 3dm6 s TYR 68 Ca -0.02 -0.86 0.01 0.00 -2.44 0.00 0.00 57.07 53.76 3dm6 s TYR 68 Cb -0.04 -1.35 0.02 0.00 0.35 0.00 0.00 41.96 40.95 3dm6 s TYR 68 CO -0.01 -0.47 -0.15 0.08 -1.34 0.00 0.00 175.55 173.66 3dm6 s VAL 69 N 1.10 1.62 -0.09 3.14 1.01 -0.26 -4.89 120.40 122.03 3dm6 s VAL 69 Ca -0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3dm6 s VAL 69 Cb -0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3dm6 s VAL 69 CO -0.03 0.47 0.06 -2.16 0.00 0.00 0.00 175.10 173.44 3dm6 s PRO 70 N 1.40 3.17 0.36 2.72 0.04 -1.26 -2.18 135.00 139.26 3dm6 s PRO 70 Ca 0.04 -0.31 0.05 0.00 0.04 0.00 0.00 61.00 60.82 3dm6 s PRO 70 Cb -0.13 -2.95 -0.07 0.00 0.04 0.00 0.00 34.50 31.39 3dm6 s PRO 70 CO -0.10 0.73 0.04 0.71 0.04 0.00 0.00 177.00 178.42 3dm6 s TYR 71 N -0.98 2.18 0.26 0.56 2.02 0.59 -5.00 117.35 116.98 3dm6 s TYR 71 Ca 0.15 -0.85 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 3dm6 s TYR 71 Cb -0.12 -1.48 0.54 0.00 -0.40 0.00 0.00 41.96 40.50 3dm6 s TYR 71 CO 0.04 0.18 1.71 1.15 -1.57 0.00 0.00 175.55 177.06 3dm6 h THR 72 N 1.96 0.56 0.00 -0.71 2.02 -2.00 -3.23 112.91 111.52 3dm6 h THR 72 Ca -0.42 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3dm6 h THR 72 Cb 1.24 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3dm6 h THR 72 CO 0.74 0.07 -1.34 1.67 0.37 0.00 0.00 175.52 177.03 3dm6 n GLN 73 N -5.06 0.85 -2.99 6.66 7.27 -1.26 -5.04 117.38 117.81 3dm6 n GLN 73 Ca 0.16 -0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.15 3dm6 n GLN 73 Cb 0.50 -1.38 0.01 0.00 2.41 0.00 0.00 30.24 31.77 3dm6 n GLN 73 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3dm6 n GLY 74 N 1.44 0.56 3.36 1.69 0.00 -1.22 -4.80 105.19 106.22 3dm6 n GLY 74 Ca -0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 3dm6 n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dm6 s LYS 75 N -2.02 1.14 0.10 1.61 -2.85 -0.71 -0.30 119.74 116.72 3dm6 s LYS 75 Ca 0.16 -0.95 -0.12 0.00 -1.00 0.00 0.00 55.97 54.07 3dm6 s LYS 75 Cb -0.01 0.43 0.01 0.00 -2.06 0.00 0.00 37.83 36.21 3dm6 s LYS 75 CO 0.01 -0.44 0.28 1.67 0.10 0.00 0.00 175.35 176.97 3dm6 s TRP 76 N -3.89 0.01 0.17 1.78 1.48 -0.92 0.05 118.94 117.62 3dm6 s TRP 76 Ca 0.10 -0.39 0.06 0.00 -1.06 0.00 0.00 56.10 54.80 3dm6 s TRP 76 Cb 0.02 0.07 -0.04 0.00 -1.16 0.00 0.00 33.47 32.36 3dm6 s TRP 76 CO -0.05 -0.61 -0.12 -1.83 -4.06 0.00 0.00 176.95 170.27 3dm6 s GLU 77 N -3.84 1.16 0.02 3.25 -1.05 -0.73 -1.10 118.70 116.42 3dm6 s GLU 77 Ca 0.04 -1.48 -0.13 0.00 -0.15 0.00 0.00 54.97 53.25 3dm6 s GLU 77 Cb 0.04 -0.86 0.04 0.00 -0.44 0.00 0.00 34.13 32.91 3dm6 s GLU 77 CO -0.11 0.13 0.58 0.41 0.95 0.00 0.00 175.26 177.22 3dm6 n GLY 78 N -0.18 0.62 3.80 -3.83 0.00 0.20 -1.95 105.19 103.84 3dm6 n GLY 78 Ca -0.10 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 3dm6 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dm6 s GLU 79 N -2.01 4.05 0.00 1.61 8.01 -0.81 -0.50 118.70 129.05 3dm6 s GLU 79 Ca 0.13 0.40 0.00 0.00 0.01 0.00 0.00 54.97 55.51 3dm6 s GLU 79 Cb -0.01 -3.29 0.00 0.00 -4.31 0.00 0.00 34.13 26.52 3dm6 s GLU 79 CO 0.01 0.53 0.00 1.28 0.01 0.00 0.00 175.26 177.08 3dm6 n LEU 80 N 2.40 0.00 0.00 1.80 4.77 -0.78 0.46 117.00 125.66 3dm6 n LEU 80 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3dm6 n LEU 80 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3dm6 n LEU 80 CO 0.39 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3dm6 n GLY 81 N 4.03 1.56 3.17 -0.72 0.00 -1.24 -4.32 105.19 107.67 3dm6 n GLY 81 Ca 0.00 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 3dm6 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dm6 s THR 82 N -1.47 0.07 0.08 2.61 -4.23 -1.18 -1.21 115.64 110.30 3dm6 s THR 82 Ca 0.00 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.54 3dm6 s THR 82 Cb 0.00 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.69 3dm6 s THR 82 CO 0.00 -0.32 0.26 -0.67 -0.54 0.00 0.00 174.62 173.35 3dm6 n ASP 83 N -0.15 -0.55 -4.86 3.99 -0.08 -1.14 -0.94 116.55 112.81 3dm6 n ASP 83 Ca -0.03 -1.33 -0.37 0.00 -1.51 0.00 0.00 54.79 51.54 3dm6 n ASP 83 Cb 0.64 0.91 -0.06 0.00 2.34 0.00 0.00 41.12 44.95 3dm6 n ASP 83 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3dm6 s LEU 84 N 0.00 4.39 -0.05 -2.67 1.43 -1.26 -1.96 118.68 118.56 3dm6 s LEU 84 Ca 0.06 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3dm6 s LEU 84 Cb -0.01 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 44.08 3dm6 s LEU 84 CO 0.02 0.38 -0.03 -0.69 0.23 0.00 0.00 176.35 176.27 3dm6 s VAL 85 N -0.95 0.47 0.27 -1.59 1.01 0.13 -2.05 120.40 117.68 3dm6 s VAL 85 Ca 0.16 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.18 3dm6 s VAL 85 Cb -0.13 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 3dm6 s VAL 85 CO 0.05 0.23 -0.10 -0.94 0.00 0.00 0.00 175.10 174.34 3dm6 s SER 86 N 1.22 2.95 -0.41 3.32 1.04 -0.63 -2.41 113.70 118.77 3dm6 s SER 86 Ca -0.06 -1.13 0.03 0.00 0.48 0.00 0.00 55.95 55.27 3dm6 s SER 86 Cb -0.14 -0.20 0.11 0.00 0.10 0.00 0.00 66.02 65.90 3dm6 s SER 86 CO -0.02 -0.23 0.15 -0.63 0.98 0.00 0.00 173.24 173.49 3dm6 s ILE 87 N -2.88 2.59 0.10 -1.02 1.01 -1.26 0.73 121.20 120.46 3dm6 s ILE 87 Ca 0.28 -2.61 -0.19 0.00 0.00 0.00 0.00 60.65 58.14 3dm6 s ILE 87 Cb 0.01 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3dm6 s ILE 87 CO 0.12 -0.68 1.23 -2.65 0.00 0.00 0.00 174.94 172.95 3dm6 n PRO 88 N 3.95 -0.27 -1.00 2.79 -0.02 -1.25 -0.56 135.00 138.63 3dm6 n PRO 88 Ca 0.04 1.21 -0.22 0.00 -2.02 0.00 0.00 63.50 62.51 3dm6 n PRO 88 Cb 0.39 -1.78 0.09 0.00 -0.02 0.00 0.00 33.50 32.18 3dm6 n PRO 88 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3dm6 n HIS 89 N -4.41 2.28 -3.36 6.00 8.25 -1.26 -4.83 115.22 117.89 3dm6 n HIS 89 Ca 0.01 -2.03 0.00 0.00 -0.26 0.00 0.00 57.72 55.44 3dm6 n HIS 89 Cb 0.16 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.27 3dm6 n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dm6 n GLY 90 N -0.44 5.89 3.76 -1.41 0.00 0.27 -4.24 105.19 109.02 3dm6 n GLY 90 Ca 0.44 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 3dm6 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dm6 s PRO 91 N -0.08 3.65 -1.44 1.61 0.04 -1.26 -4.80 135.00 132.72 3dm6 s PRO 91 Ca 0.00 2.33 -0.14 0.00 0.04 0.00 0.00 61.00 63.23 3dm6 s PRO 91 Cb 0.00 -2.61 0.03 0.00 0.04 0.00 0.00 34.50 31.96 3dm6 s PRO 91 CO 0.00 -0.81 2.24 -1.71 0.04 0.00 0.00 177.00 176.76 3dm6 n ASN 92 N -0.27 3.98 -4.31 6.66 5.15 -1.26 -4.63 115.26 120.58 3dm6 n ASN 92 Ca 0.06 -2.82 -0.22 0.00 -0.60 0.00 0.00 54.58 50.99 3dm6 n ASN 92 Cb 0.43 -1.63 -0.10 0.00 -0.53 0.00 0.00 39.78 37.95 3dm6 n ASN 92 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dm6 s VAL 93 N 3.24 0.86 -0.02 3.44 -7.23 -1.26 -5.16 120.40 114.26 3dm6 s VAL 93 Ca 0.48 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 3dm6 s VAL 93 Cb 0.14 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.49 3dm6 s VAL 93 CO -0.08 0.00 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.81 3dm6 s THR 94 N -3.36 0.21 0.12 5.32 2.01 -1.26 -4.56 115.64 114.12 3dm6 s THR 94 Ca 0.32 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.42 3dm6 s THR 94 Cb 0.06 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 3dm6 s THR 94 CO 0.15 0.12 -0.21 0.68 -0.69 0.00 0.00 174.62 174.67 3dm6 s VAL 95 N 0.67 1.81 -0.34 3.82 -7.23 -1.01 -4.93 120.40 113.18 3dm6 s VAL 95 Ca -0.07 -1.64 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 3dm6 s VAL 95 Cb -0.10 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 3dm6 s VAL 95 CO -0.01 -0.09 0.36 -0.60 -0.31 0.00 0.00 175.10 174.46 3dm6 s ARG 96 N -2.09 3.55 0.21 4.82 3.52 -1.26 0.22 118.95 127.93 3dm6 s ARG 96 Ca 0.09 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 3dm6 s ARG 96 Cb -0.09 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.44 3dm6 s ARG 96 CO 0.05 -0.53 0.08 0.00 -0.81 0.00 0.00 175.30 174.09 3dm6 s ALA 97 N 2.02 1.39 0.28 6.12 0.00 -0.83 -4.96 121.76 125.78 3dm6 s ALA 97 Ca 0.12 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.07 3dm6 s ALA 97 Cb -0.17 1.00 -0.10 0.00 0.00 0.00 0.00 23.12 23.86 3dm6 s ALA 97 CO 0.12 -0.47 1.24 -0.80 0.00 0.00 0.00 175.76 175.85 3dm6 s ASN 98 N -3.21 6.97 -0.06 0.00 0.01 -1.26 -2.89 114.94 114.50 3dm6 s ASN 98 Ca 0.33 2.48 -0.02 0.00 -0.71 0.00 0.00 52.86 54.94 3dm6 s ASN 98 Cb 0.07 -2.63 0.04 0.00 0.41 0.00 0.00 41.25 39.14 3dm6 s ASN 98 CO 0.10 -0.40 0.10 -0.63 -1.51 0.00 0.00 177.10 174.76 3dm6 s ILE 99 N -0.87 -0.16 -0.32 0.60 1.01 -0.35 -4.55 121.20 116.57 3dm6 s ILE 99 Ca 0.49 0.38 -0.19 0.00 0.00 0.00 0.00 60.65 61.33 3dm6 s ILE 99 Cb -0.36 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 3dm6 s ILE 99 CO 0.46 0.16 0.56 0.00 0.00 0.00 0.00 174.94 176.12 3dm6 s ALA 100 N 2.10 3.51 -0.51 9.38 0.00 -0.98 -3.73 121.76 131.53 3dm6 s ALA 100 Ca 0.03 -0.80 -0.24 0.00 0.00 0.00 0.00 51.96 50.94 3dm6 s ALA 100 Cb -0.12 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.00 3dm6 s ALA 100 CO -0.04 -1.10 0.91 0.00 0.00 0.00 0.00 175.76 175.54 3dm6 s ALA 101 N 2.48 3.20 -0.38 0.00 0.00 0.17 -1.57 121.76 125.67 3dm6 s ALA 101 Ca 0.22 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 3dm6 s ALA 101 Cb -0.15 -3.67 0.01 0.00 0.00 0.00 0.00 23.12 19.31 3dm6 s ALA 101 CO 0.12 -2.21 1.42 0.42 0.00 0.00 0.00 175.76 175.51 3dm6 s ILE 102 N 3.79 3.92 -0.19 0.00 1.01 0.12 -1.92 121.20 127.92 3dm6 s ILE 102 Ca 0.32 0.96 0.13 0.00 0.00 0.00 0.00 60.65 62.06 3dm6 s ILE 102 Cb -0.12 -4.15 -0.23 0.00 0.01 0.00 0.00 42.46 37.98 3dm6 s ILE 102 CO 0.22 -0.67 0.09 0.35 0.00 0.00 0.00 174.94 174.93 3dm6 n THR 103 N 6.90 1.46 -3.93 2.92 -2.24 -0.82 -1.35 114.28 117.21 3dm6 n THR 103 Ca 0.17 -0.78 -0.09 0.00 -2.27 0.00 0.00 64.05 61.08 3dm6 n THR 103 Cb 0.48 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 3dm6 n THR 103 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3dm6 s GLU 104 N -2.51 1.57 -0.12 -0.78 -1.05 -1.16 -4.85 118.70 109.81 3dm6 s GLU 104 Ca -0.15 -1.14 -0.30 0.00 -0.15 0.00 0.00 54.97 53.23 3dm6 s GLU 104 Cb 0.07 0.51 0.12 0.00 -0.44 0.00 0.00 34.13 34.38 3dm6 s GLU 104 CO 0.78 -0.67 0.95 -1.54 0.95 0.00 0.00 175.26 175.72 3dm6 s SER 105 N -2.97 -0.39 -0.22 0.83 1.04 -1.26 -1.77 113.70 108.95 3dm6 s SER 105 Ca 0.18 0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.94 3dm6 s SER 105 Cb -0.02 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.50 3dm6 s SER 105 CO 0.07 -0.42 -0.04 -0.62 0.98 0.00 0.00 173.24 173.21 3dm6 s ASP 106 N -1.44 3.60 -1.77 7.02 2.15 0.11 -4.81 116.67 121.53 3dm6 s ASP 106 Ca -0.01 -1.07 -0.00 0.00 0.43 0.00 0.00 52.55 51.90 3dm6 s ASP 106 Cb -0.01 -1.05 0.00 0.00 -0.30 0.00 0.00 42.92 41.57 3dm6 s ASP 106 CO -0.00 -0.25 0.02 0.29 -0.17 0.00 0.00 175.17 175.06 3dm6 n LYS 107 N 4.76 -1.74 0.00 4.34 5.02 -1.26 -1.75 118.16 127.53 3dm6 n LYS 107 Ca -0.11 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 3dm6 n LYS 107 Cb 0.45 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.80 3dm6 n LYS 107 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dm6 n PHE 108 N -4.03 0.00 -1.51 2.13 7.35 -1.26 -4.22 117.46 115.92 3dm6 n PHE 108 Ca -0.24 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.04 3dm6 n PHE 108 Cb 0.69 -0.05 0.02 0.00 0.35 0.00 0.00 39.48 40.48 3dm6 n PHE 108 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3dm6 n PHE 109 N -0.97 0.03 -4.85 -5.13 0.99 -1.26 -4.97 117.46 101.29 3dm6 n PHE 109 Ca 0.00 0.54 -0.33 0.00 -0.00 0.00 0.00 57.45 57.67 3dm6 n PHE 109 Cb 0.00 -2.06 -0.14 0.00 -1.00 0.00 0.00 39.48 36.28 3dm6 n PHE 109 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3dm6 s ILE 110 N -1.47 2.98 -0.28 4.37 1.01 -1.26 -5.07 121.20 121.48 3dm6 s ILE 110 Ca 0.65 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 3dm6 s ILE 110 Cb -0.54 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 3dm6 s ILE 110 CO 0.56 0.55 1.82 0.21 0.00 0.00 0.00 174.94 178.08 3dm6 s ASN 111 N -0.04 5.96 0.00 3.58 2.47 -1.26 -2.93 114.94 122.71 3dm6 s ASN 111 Ca -0.03 1.48 0.00 0.00 0.42 0.00 0.00 52.86 54.73 3dm6 s ASN 111 Cb -0.14 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 3dm6 s ASN 111 CO 0.04 -1.63 0.00 0.61 -3.72 0.00 0.00 177.10 172.40 3dm6 n GLY 112 N 5.29 0.34 0.29 1.21 0.00 -1.26 -4.95 105.19 106.11 3dm6 n GLY 112 Ca 0.23 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.42 3dm6 n GLY 112 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dm6 h SER 113 N 0.00 0.00 -0.10 1.61 4.64 -1.87 -3.46 113.55 114.37 3dm6 h SER 113 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3dm6 h SER 113 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3dm6 h SER 113 CO 0.00 0.04 -0.04 -3.20 -0.87 0.00 0.00 176.83 172.76 3dm6 n ASN 114 N -3.26 -4.90 -4.76 4.97 5.15 -1.26 -4.61 115.26 106.59 3dm6 n ASN 114 Ca -0.01 0.05 -0.30 0.00 -0.60 0.00 0.00 54.58 53.72 3dm6 n ASN 114 Cb 0.22 -2.59 -0.07 0.00 -0.53 0.00 0.00 39.78 36.81 3dm6 n ASN 114 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3dm6 s TRP 115 N -1.53 3.15 0.00 1.20 1.48 -1.26 -4.70 118.94 117.28 3dm6 s TRP 115 Ca 0.00 0.06 0.00 0.00 -1.06 0.00 0.00 56.10 55.10 3dm6 s TRP 115 Cb 0.00 -1.61 0.00 0.00 -1.16 0.00 0.00 33.47 30.70 3dm6 s TRP 115 CO 0.00 0.51 0.66 0.39 -4.06 0.00 0.00 176.95 174.46 3dm6 n GLU 116 N 0.51 0.67 -3.94 3.25 4.71 -0.10 -4.87 120.64 120.86 3dm6 n GLU 116 Ca -0.09 -0.86 0.00 0.00 -0.01 0.00 0.00 57.16 56.20 3dm6 n GLU 116 Cb 0.52 -0.94 0.02 0.00 -1.01 0.00 0.00 31.44 30.02 3dm6 n GLU 116 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3dm6 s GLY 117 N -0.39 -0.02 -0.06 0.62 0.00 -1.04 -1.12 107.32 105.31 3dm6 s GLY 117 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 44.72 44.57 3dm6 s GLY 117 CO 0.00 4.30 0.12 -1.50 0.00 0.00 0.00 173.10 176.03 3dm6 s ILE 118 N -2.07 -0.05 -0.33 0.90 2.07 0.60 -0.46 121.20 121.87 3dm6 s ILE 118 Ca 0.26 0.18 -0.07 0.00 -1.41 0.00 0.00 60.65 59.61 3dm6 s ILE 118 Cb -0.01 -0.21 0.03 0.00 0.13 0.00 0.00 42.46 42.40 3dm6 s ILE 118 CO 0.02 0.07 0.10 -0.22 -1.91 0.00 0.00 174.94 173.00 3dm6 s LEU 119 N 1.09 4.20 -0.34 8.50 2.96 0.11 -1.18 118.68 134.02 3dm6 s LEU 119 Ca -0.09 -1.00 -0.21 0.00 -0.22 0.00 0.00 54.13 52.61 3dm6 s LEU 119 Cb -0.11 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 3dm6 s LEU 119 CO -0.05 -0.29 0.66 -0.83 -1.32 0.00 0.00 176.35 174.52 3dm6 s GLY 120 N 1.44 1.74 0.00 7.98 0.00 -0.23 -0.51 107.32 117.75 3dm6 s GLY 120 Ca -0.00 -0.74 0.22 0.00 0.00 0.00 0.00 44.72 44.20 3dm6 s GLY 120 CO 0.03 1.53 1.26 1.04 0.00 0.00 0.00 173.10 176.95 3dm6 n LEU 121 N 6.04 3.04 -4.80 0.66 4.77 0.39 -4.34 117.00 122.76 3dm6 n LEU 121 Ca -0.00 -1.19 -0.30 0.00 -0.03 0.00 0.00 56.01 54.49 3dm6 n LEU 121 Cb 0.49 -0.09 0.18 0.00 -2.33 0.00 0.00 43.42 41.67 3dm6 n LEU 121 CO 0.49 0.57 0.76 0.00 -1.33 0.00 0.00 177.39 177.88 3dm6 s ALA 122 N -1.69 1.68 0.86 -1.18 0.00 0.19 -4.97 121.76 116.65 3dm6 s ALA 122 Ca 0.30 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 51.21 3dm6 s ALA 122 Cb 0.20 -2.88 0.10 0.00 0.00 0.00 0.00 23.12 20.54 3dm6 s ALA 122 CO 0.28 -2.68 1.12 0.71 0.00 0.00 0.00 175.76 175.19 3dm6 s TYR 123 N -3.47 2.69 0.35 0.00 1.51 -0.62 -4.61 117.35 113.19 3dm6 s TYR 123 Ca 0.70 0.97 0.02 0.00 -1.01 0.00 0.00 57.07 57.75 3dm6 s TYR 123 Cb -0.09 -3.28 0.63 0.00 -0.11 0.00 0.00 41.96 39.11 3dm6 s TYR 123 CO 0.54 -2.07 1.99 0.00 -1.11 0.00 0.00 175.55 174.90 3dm6 h ALA 124 N -1.29 1.52 -1.10 3.71 0.00 -1.85 -3.11 119.26 117.13 3dm6 h ALA 124 Ca -0.49 -0.06 0.32 0.00 0.00 0.00 0.00 54.91 54.68 3dm6 h ALA 124 Cb 1.31 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3dm6 h ALA 124 CO 0.61 0.42 0.97 1.49 0.00 0.00 0.00 179.25 182.74 3dm6 h GLU 125 N 0.81 0.00 -0.17 0.00 4.81 -1.87 0.06 114.58 118.22 3dm6 h GLU 125 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3dm6 h GLU 125 Cb -0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3dm6 h GLU 125 CO -0.04 0.00 0.00 0.44 -0.73 0.00 0.00 179.01 178.68 3dm6 n ILE 126 N -3.75 0.44 -1.02 2.32 -5.35 -1.18 -4.69 119.36 106.13 3dm6 n ILE 126 Ca 0.24 -0.72 -0.31 0.00 -0.27 0.00 0.00 62.75 61.68 3dm6 n ILE 126 Cb 1.32 0.92 0.13 0.00 -1.74 0.00 0.00 39.64 40.27 3dm6 n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dm6 s ALA 127 N -1.00 1.87 0.06 -1.28 0.00 0.01 -4.72 121.76 116.71 3dm6 s ALA 127 Ca 0.19 0.49 0.09 0.00 0.00 0.00 0.00 51.96 52.73 3dm6 s ALA 127 Cb 0.11 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 3dm6 s ALA 127 CO 0.16 -2.24 -0.26 1.03 0.00 0.00 0.00 175.76 174.45 3dm6 s ARG 128 N -4.66 1.74 0.15 0.00 1.81 -1.26 -3.14 118.95 113.59 3dm6 s ARG 128 Ca 0.65 -1.15 0.24 0.00 -1.72 0.00 0.00 55.73 53.76 3dm6 s ARG 128 Cb -0.21 -1.98 0.92 0.00 -0.45 0.00 0.00 34.95 33.23 3dm6 s ARG 128 CO 0.55 0.50 1.75 -2.30 -0.68 0.00 0.00 175.30 175.12 3dm6 n PRO 129 N 1.58 0.15 -3.82 3.54 -0.02 -1.26 -4.90 135.00 130.28 3dm6 n PRO 129 Ca -0.17 0.23 -0.05 0.00 -2.02 0.00 0.00 63.50 61.49 3dm6 n PRO 129 Cb 0.52 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3dm6 n PRO 129 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3dm6 s ASP 130 N -3.92 -0.10 0.00 2.55 -4.77 -1.19 -5.03 116.67 104.22 3dm6 s ASP 130 Ca 0.09 -0.65 0.00 0.00 -3.30 0.00 0.00 52.55 48.69 3dm6 s ASP 130 Cb 0.12 0.59 0.00 0.00 -1.09 0.00 0.00 42.92 42.54 3dm6 s ASP 130 CO 0.48 -1.13 0.63 -0.90 0.70 0.00 0.00 175.17 174.95 3dm6 n ASP 131 N -0.87 0.00 0.21 2.11 5.75 -1.26 -1.46 116.55 121.03 3dm6 n ASP 131 Ca -0.05 0.14 0.15 0.00 -0.01 0.00 0.00 54.79 55.01 3dm6 n ASP 131 Cb 0.60 -0.14 0.51 0.00 -1.03 0.00 0.00 41.12 41.06 3dm6 n ASP 131 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3dm6 h SER 132 N 0.00 0.00 -3.08 -1.12 4.64 -1.94 -3.42 113.55 108.63 3dm6 h SER 132 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 3dm6 h SER 132 Cb 0.01 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.92 3dm6 h SER 132 CO 0.00 0.00 0.09 -0.22 -0.87 0.00 0.00 176.83 175.83 3dm6 s LEU 133 N -5.62 5.14 -0.05 5.97 2.96 -0.53 -5.02 118.68 121.53 3dm6 s LEU 133 Ca 0.04 -1.15 -0.29 0.00 -0.22 0.00 0.00 54.13 52.51 3dm6 s LEU 133 Cb 0.09 -2.38 -0.08 0.00 0.50 0.00 0.00 46.19 44.32 3dm6 s LEU 133 CO 0.54 -1.01 2.03 -0.70 -1.32 0.00 0.00 176.35 175.89 3dm6 s GLU 134 N 2.69 3.83 0.48 1.98 2.12 -1.26 -4.90 118.70 123.65 3dm6 s GLU 134 Ca 0.14 2.41 -0.23 0.00 0.36 0.00 0.00 54.97 57.65 3dm6 s GLU 134 Cb -0.21 -4.22 -0.07 0.00 0.26 0.00 0.00 34.13 29.89 3dm6 s GLU 134 CO 0.09 -1.30 1.29 -2.14 -0.54 0.00 0.00 175.26 172.66 3dm6 s PRO 135 N 5.02 3.54 0.26 4.30 0.02 -1.26 -4.21 135.00 142.68 3dm6 s PRO 135 Ca 0.91 2.10 -0.09 0.00 0.02 0.00 0.00 61.00 63.94 3dm6 s PRO 135 Cb -0.39 -2.44 0.42 0.00 0.02 0.00 0.00 34.50 32.11 3dm6 s PRO 135 CO 0.39 -0.82 1.58 0.35 -0.33 0.00 0.00 177.00 178.17 3dm6 h PHE 136 N 1.97 -0.42 -0.52 6.54 3.57 -1.81 0.13 116.94 126.40 3dm6 h PHE 136 Ca -0.50 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 3dm6 h PHE 136 Cb 1.27 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 40.31 3dm6 h PHE 136 CO 0.50 -0.38 0.21 0.35 -2.23 0.00 0.00 178.31 176.77 3dm6 h PHE 137 N 0.01 0.75 -0.63 0.41 3.57 -1.91 -2.38 116.94 116.74 3dm6 h PHE 137 Ca 0.44 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.87 3dm6 h PHE 137 Cb 0.70 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3dm6 h PHE 137 CO -0.66 0.58 0.24 -0.44 -2.23 0.00 0.00 178.31 175.80 3dm6 h ASP 138 N 0.74 0.85 0.37 0.41 3.32 -1.11 0.37 116.42 121.38 3dm6 h ASP 138 Ca 0.18 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3dm6 h ASP 138 Cb 0.14 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3dm6 h ASP 138 CO -0.02 0.77 -0.25 0.28 -1.72 0.00 0.00 179.24 178.30 3dm6 h SER 139 N 0.91 -0.64 -0.91 6.45 0.02 -1.25 -2.99 113.55 115.15 3dm6 h SER 139 Ca 0.21 0.04 0.17 0.00 -0.84 0.00 0.00 61.79 61.38 3dm6 h SER 139 Cb 0.20 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 3dm6 h SER 139 CO -0.02 -0.39 0.59 0.25 -1.14 0.00 0.00 176.83 176.12 3dm6 h LEU 140 N -0.60 0.57 0.04 5.07 5.85 -0.44 0.18 115.31 125.98 3dm6 h LEU 140 Ca -0.03 0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.47 3dm6 h LEU 140 Cb 0.51 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3dm6 h LEU 140 CO 0.02 0.26 -1.16 0.58 -0.34 0.00 0.00 178.44 177.80 3dm6 h VAL 141 N 0.59 1.48 0.05 1.05 2.07 -1.50 -2.90 116.25 117.08 3dm6 h VAL 141 Ca 0.47 -2.91 -0.00 0.00 0.82 0.00 0.00 66.70 65.08 3dm6 h VAL 141 Cb 0.92 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 3dm6 h VAL 141 CO -0.22 0.85 -0.02 0.50 0.02 0.00 0.00 177.57 178.70 3dm6 h LYS 142 N 0.11 -0.07 0.00 1.57 3.64 -0.88 -3.34 116.57 117.61 3dm6 h LYS 142 Ca -0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3dm6 h LYS 142 Cb 1.86 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.70 3dm6 h LYS 142 CO 0.19 0.51 -0.05 1.96 -2.27 0.00 0.00 179.45 179.80 3dm6 h GLN 143 N -0.93 0.00 0.00 1.90 4.20 -0.91 -3.46 115.11 115.91 3dm6 h GLN 143 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3dm6 h GLN 143 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3dm6 h GLN 143 CO 0.01 0.05 0.00 0.25 -0.67 0.00 0.00 178.83 178.47 3dm6 n THR 144 N -3.17 0.00 0.13 -0.54 -2.24 -1.10 -5.07 114.28 102.30 3dm6 n THR 144 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 3dm6 n THR 144 Cb 0.32 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.66 3dm6 n THR 144 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3dm6 n HIS 145 N 0.00 0.26 -1.86 4.78 8.25 -1.26 -4.72 115.22 120.66 3dm6 n HIS 145 Ca 0.00 -0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 56.78 3dm6 n HIS 145 Cb 0.00 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 3dm6 n HIS 145 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dm6 s VAL 146 N -0.99 2.79 0.82 1.59 1.01 -1.26 -4.95 120.40 119.42 3dm6 s VAL 146 Ca 0.19 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 3dm6 s VAL 146 Cb 0.11 -3.22 0.09 0.00 0.00 0.00 0.00 36.38 33.37 3dm6 s VAL 146 CO 0.16 0.00 1.15 -2.84 0.00 0.00 0.00 175.10 173.57 3dm6 s PRO 147 N 2.37 1.65 -1.30 2.72 0.02 -1.26 -4.54 135.00 134.66 3dm6 s PRO 147 Ca 0.75 1.54 -0.15 0.00 0.02 0.00 0.00 61.00 63.16 3dm6 s PRO 147 Cb -0.42 -1.80 0.11 0.00 0.02 0.00 0.00 34.50 32.41 3dm6 s PRO 147 CO 0.33 -2.16 1.75 -1.71 -0.33 0.00 0.00 177.00 174.88 3dm6 n ASN 148 N -3.59 4.87 -3.63 2.53 5.15 -1.26 -4.30 115.26 115.03 3dm6 n ASN 148 Ca 0.12 -2.95 -0.09 0.00 -0.60 0.00 0.00 54.58 51.06 3dm6 n ASN 148 Cb 0.52 -1.64 -0.07 0.00 -0.53 0.00 0.00 39.78 38.06 3dm6 n ASN 148 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3dm6 s LEU 149 N 2.39 -0.38 -0.12 1.20 0.20 -1.26 0.24 118.68 120.95 3dm6 s LEU 149 Ca 0.47 0.66 -0.30 0.00 0.69 0.00 0.00 54.13 55.65 3dm6 s LEU 149 Cb 0.04 1.77 0.10 0.00 -0.43 0.00 0.00 46.19 47.68 3dm6 s LEU 149 CO 0.02 -0.18 0.87 0.72 -0.29 0.00 0.00 176.35 177.49 3dm6 s PHE 150 N -0.13 -0.48 0.10 5.38 -0.71 -1.06 -0.23 117.98 120.84 3dm6 s PHE 150 Ca 0.03 0.83 0.06 0.00 -1.04 0.00 0.00 56.93 56.81 3dm6 s PHE 150 Cb -0.04 0.43 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 3dm6 s PHE 150 CO -0.05 -0.45 -0.15 -1.54 -1.34 0.00 0.00 175.22 171.69 3dm6 s SER 151 N -1.13 1.87 -0.20 1.98 1.04 -0.02 0.63 113.70 117.88 3dm6 s SER 151 Ca -0.05 -0.71 -0.00 0.00 0.48 0.00 0.00 55.95 55.66 3dm6 s SER 151 Cb -0.00 -0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.11 3dm6 s SER 151 CO 0.05 -0.10 -0.04 -0.76 0.98 0.00 0.00 173.24 173.37 3dm6 s LEU 152 N -2.08 1.94 -0.33 2.42 1.43 -0.31 -1.63 118.68 120.12 3dm6 s LEU 152 Ca 0.04 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 3dm6 s LEU 152 Cb -0.08 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.18 3dm6 s LEU 152 CO 0.03 -0.22 0.14 -1.58 0.23 0.00 0.00 176.35 174.95 3dm6 s GLN 153 N 1.57 3.07 -0.30 1.70 0.74 -0.22 -2.35 119.66 123.88 3dm6 s GLN 153 Ca -0.02 -0.89 -0.02 0.00 0.05 0.00 0.00 55.36 54.47 3dm6 s GLN 153 Cb -0.17 -3.55 0.04 0.00 1.10 0.00 0.00 33.01 30.43 3dm6 s GLN 153 CO -0.07 -0.52 0.00 -0.51 -0.55 0.00 0.00 175.29 173.64 3dm6 s LEU 154 N 1.55 3.85 -0.25 3.68 1.43 -1.26 -0.46 118.68 127.22 3dm6 s LEU 154 Ca 0.03 -1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 51.83 3dm6 s LEU 154 Cb -0.18 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 3dm6 s LEU 154 CO 0.05 -0.25 0.19 0.00 0.23 0.00 0.00 176.35 176.57 3dm6 n GLY 156 N 4.43 0.78 3.23 0.00 0.00 -1.26 -3.00 105.19 109.36 3dm6 n GLY 156 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 3dm6 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dm6 n ALA 157 N -3.00 0.60 -3.73 4.61 0.00 -1.26 -4.81 120.51 112.92 3dm6 n ALA 157 Ca 0.00 -1.53 -0.21 0.00 0.00 0.00 0.00 53.44 51.70 3dm6 n ALA 157 Cb 0.00 -2.37 -0.17 0.00 0.00 0.00 0.00 19.45 16.91 3dm6 n ALA 157 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dm6 s VAL 170 N 5.27 0.22 0.00 0.00 1.01 -1.23 -5.09 120.40 120.59 3dm6 s VAL 170 Ca 0.36 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3dm6 s VAL 170 Cb 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 36.07 3dm6 s VAL 170 CO 0.18 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3dm6 n GLY 171 N 4.93 3.11 0.00 4.51 0.00 -1.16 -1.94 105.19 114.65 3dm6 n GLY 171 Ca -0.11 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3dm6 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dm6 n GLY 172 N 0.00 -1.26 3.16 -0.02 0.00 -0.91 -1.22 105.19 104.93 3dm6 n GLY 172 Ca 0.00 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 3dm6 n GLY 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dm6 s SER 173 N -4.00 1.80 -0.32 1.61 0.01 0.39 -1.65 113.70 111.54 3dm6 s SER 173 Ca 0.00 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.85 3dm6 s SER 173 Cb 0.00 -0.14 0.08 0.00 0.21 0.00 0.00 66.02 66.18 3dm6 s SER 173 CO 0.00 0.08 0.02 -0.32 0.41 0.00 0.00 173.24 173.43 3dm6 s MET 174 N -1.00 1.88 -0.27 12.44 1.75 -1.26 -1.05 119.30 131.78 3dm6 s MET 174 Ca 0.03 -1.65 -0.23 0.00 -1.25 0.00 0.00 55.69 52.60 3dm6 s MET 174 Cb -0.08 -3.17 -0.01 0.00 2.84 0.00 0.00 34.83 34.41 3dm6 s MET 174 CO 0.01 -0.82 0.74 0.42 -0.65 0.00 0.00 175.02 174.73 3dm6 s ILE 175 N 1.03 4.87 -0.35 10.11 -1.09 -0.65 -4.87 121.20 130.26 3dm6 s ILE 175 Ca 0.03 1.27 -0.12 0.00 -2.23 0.00 0.00 60.65 59.60 3dm6 s ILE 175 Cb -0.20 -4.06 -0.00 0.00 -1.58 0.00 0.00 42.46 36.61 3dm6 s ILE 175 CO -0.06 -0.11 0.22 -0.63 -1.23 0.00 0.00 174.94 173.14 3dm6 s ILE 176 N 2.77 5.00 0.00 2.92 1.01 -1.26 -0.84 121.20 130.79 3dm6 s ILE 176 Ca 0.31 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3dm6 s ILE 176 Cb -0.15 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3dm6 s ILE 176 CO 0.10 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.58 3dm6 n GLY 177 N 5.07 0.67 0.00 6.18 0.00 0.68 -4.84 105.19 112.94 3dm6 n GLY 177 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3dm6 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dm6 n GLY 178 N -0.81 -1.42 3.20 -0.02 0.00 -1.26 -4.27 105.19 100.62 3dm6 n GLY 178 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 3dm6 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dm6 s ILE 179 N -2.19 1.86 -0.17 -0.61 1.01 -1.26 -4.15 121.20 115.69 3dm6 s ILE 179 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 3dm6 s ILE 179 Cb 0.00 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 3dm6 s ILE 179 CO 0.00 0.52 -0.03 -0.62 0.00 0.00 0.00 174.94 174.80 3dm6 s ASP 180 N 0.17 4.71 0.16 3.58 2.15 -1.26 -5.02 116.67 121.16 3dm6 s ASP 180 Ca -0.11 -0.19 0.25 0.00 0.43 0.00 0.00 52.55 52.93 3dm6 s ASP 180 Cb -0.15 -1.78 0.62 0.00 -0.30 0.00 0.00 42.92 41.30 3dm6 s ASP 180 CO 0.06 0.12 1.58 1.41 -0.17 0.00 0.00 175.17 178.17 3dm6 n HIS 181 N 3.85 0.74 -0.31 -5.34 8.25 -1.26 -3.16 115.22 117.98 3dm6 n HIS 181 Ca -0.17 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3dm6 n HIS 181 Cb 0.52 -0.80 0.18 0.00 1.12 0.00 0.00 29.99 31.01 3dm6 n HIS 181 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3dm6 h SER 182 N 0.00 1.01 0.24 0.41 0.02 -2.03 -3.12 113.55 110.08 3dm6 h SER 182 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3dm6 h SER 182 Cb 0.73 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3dm6 h SER 182 CO 0.00 0.71 -0.01 0.18 -1.14 0.00 0.00 176.83 176.57 3dm6 n LEU 183 N -4.42 0.11 -4.10 5.07 4.77 -1.19 -4.67 117.00 112.56 3dm6 n LEU 183 Ca 0.11 0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 3dm6 n LEU 183 Cb 0.06 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 3dm6 n LEU 183 CO 0.36 0.02 -0.35 -0.72 -1.33 0.00 0.00 177.39 175.36 3dm6 s TYR 184 N -2.25 0.60 0.12 -1.77 1.13 -1.18 -0.69 117.35 113.30 3dm6 s TYR 184 Ca 0.39 -1.08 0.08 0.00 -1.41 0.00 0.00 57.07 55.05 3dm6 s TYR 184 Cb 0.21 -0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 40.62 3dm6 s TYR 184 CO 0.41 -0.38 -0.19 0.95 -2.51 0.00 0.00 175.55 173.83 3dm6 s THR 185 N -3.91 1.65 0.00 -3.49 -4.23 -1.08 -4.84 115.64 99.74 3dm6 s THR 185 Ca 0.10 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3dm6 s THR 185 Cb 0.08 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.34 3dm6 s THR 185 CO -0.08 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3dm6 n GLY 186 N 0.87 -0.25 3.38 3.99 0.00 -1.26 -3.93 105.19 107.98 3dm6 n GLY 186 Ca -0.18 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 3dm6 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dm6 s SER 187 N -4.00 3.12 -0.20 1.61 1.04 -1.26 -5.02 113.70 108.99 3dm6 s SER 187 Ca 0.00 -0.86 -0.25 0.00 0.48 0.00 0.00 55.95 55.32 3dm6 s SER 187 Cb 0.00 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 3dm6 s SER 187 CO 0.00 0.06 0.81 -0.76 0.98 0.00 0.00 173.24 174.33 3dm6 s LEU 188 N -2.67 4.14 -0.14 2.42 1.43 -1.26 -4.36 118.68 118.24 3dm6 s LEU 188 Ca 0.19 1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 54.33 3dm6 s LEU 188 Cb -0.07 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 3dm6 s LEU 188 CO 0.09 -0.43 0.00 0.26 0.23 0.00 0.00 176.35 176.50 3dm6 s TRP 189 N 2.37 3.14 -0.07 0.29 0.52 0.13 -4.81 118.94 120.51 3dm6 s TRP 189 Ca 0.36 -0.02 0.00 0.00 0.02 0.00 0.00 56.10 56.47 3dm6 s TRP 189 Cb -0.16 -1.93 -0.03 0.00 -1.15 0.00 0.00 33.47 30.20 3dm6 s TRP 189 CO 0.10 0.21 -0.06 0.71 0.02 0.00 0.00 176.95 177.93 3dm6 s TYR 190 N -0.11 2.96 -0.04 -1.98 1.51 -1.26 -0.32 117.35 118.12 3dm6 s TYR 190 Ca 0.04 0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.19 3dm6 s TYR 190 Cb -0.13 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 3dm6 s TYR 190 CO 0.02 0.34 -0.20 -0.08 -1.11 0.00 0.00 175.55 174.52 3dm6 s THR 191 N -0.80 2.58 0.48 -0.71 -1.32 -0.22 -3.51 115.64 112.14 3dm6 s THR 191 Ca 0.12 -0.91 -0.24 0.00 -1.21 0.00 0.00 61.69 59.46 3dm6 s THR 191 Cb -0.11 -1.96 -0.07 0.00 -1.51 0.00 0.00 72.50 68.85 3dm6 s THR 191 CO 0.02 0.59 1.36 -2.84 -2.21 0.00 0.00 174.62 171.53 3dm6 s PRO 192 N -0.66 3.54 -1.05 7.08 0.02 -1.26 -0.42 135.00 142.24 3dm6 s PRO 192 Ca 0.11 2.26 -0.21 0.00 0.02 0.00 0.00 61.00 63.17 3dm6 s PRO 192 Cb -0.10 -2.51 0.07 0.00 0.02 0.00 0.00 34.50 31.98 3dm6 s PRO 192 CO -0.00 -0.88 1.45 0.42 -0.33 0.00 0.00 177.00 177.65 3dm6 s ILE 193 N -1.27 4.10 0.11 2.83 1.01 -0.14 -4.57 121.20 123.27 3dm6 s ILE 193 Ca 0.64 -1.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 3dm6 s ILE 193 Cb -0.40 -5.04 0.18 0.00 0.01 0.00 0.00 42.46 37.21 3dm6 s ILE 193 CO 0.50 -1.88 0.61 -1.14 0.00 0.00 0.00 174.94 173.03 3dm6 n ARG 194 N 8.38 -0.04 -3.56 2.79 0.00 -0.69 -4.49 116.66 119.05 3dm6 n ARG 194 Ca 0.34 0.61 -0.15 0.00 -0.00 0.00 0.00 57.85 58.65 3dm6 n ARG 194 Cb 0.50 -0.91 -0.06 0.00 0.00 0.00 0.00 32.46 31.98 3dm6 n ARG 194 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3dm6 s ARG 195 N -5.48 0.89 -1.22 -0.14 3.52 -1.26 -5.08 118.95 110.18 3dm6 s ARG 195 Ca -0.06 0.43 -0.13 0.00 -0.13 0.00 0.00 55.73 55.84 3dm6 s ARG 195 Cb 0.11 0.42 0.17 0.00 -1.56 0.00 0.00 34.95 34.09 3dm6 s ARG 195 CO 0.31 -0.23 1.49 0.39 -0.81 0.00 0.00 175.30 176.44 3dm6 n GLU 196 N 1.38 3.40 0.00 5.12 1.02 -1.26 -4.14 120.64 126.16 3dm6 n GLU 196 Ca -0.16 -3.81 0.00 0.00 -0.02 0.00 0.00 57.16 53.17 3dm6 n GLU 196 Cb 0.57 -3.03 0.00 0.00 -0.02 0.00 0.00 31.44 28.96 3dm6 n GLU 196 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 3dm6 n TRP 197 N 5.45 0.00 -2.08 -0.32 4.27 -1.26 -4.57 117.44 118.93 3dm6 n TRP 197 Ca 0.37 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.70 3dm6 n TRP 197 Cb 0.42 0.24 0.06 0.00 -1.36 0.00 0.00 31.31 30.66 3dm6 n TRP 197 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3dm6 s TYR 198 N -0.55 3.12 -1.30 -2.67 2.02 -1.26 -1.60 117.35 115.11 3dm6 s TYR 198 Ca 0.00 0.74 -0.18 0.00 -0.37 0.00 0.00 57.07 57.26 3dm6 s TYR 198 Cb 0.00 -3.14 0.07 0.00 -0.40 0.00 0.00 41.96 38.50 3dm6 s TYR 198 CO 0.00 -1.31 1.73 0.66 -1.57 0.00 0.00 175.55 175.06 3dm6 n TYR 199 N -2.97 4.68 -2.97 2.71 4.02 -1.26 -4.85 117.16 116.52 3dm6 n TYR 199 Ca 0.07 -2.85 -0.36 0.00 -0.01 0.00 0.00 57.90 54.74 3dm6 n TYR 199 Cb 0.59 -2.63 -0.06 0.00 -0.02 0.00 0.00 39.34 37.22 3dm6 n TYR 199 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3dm6 s GLU 200 N 4.16 4.38 0.27 -0.72 2.12 -1.26 -2.36 118.70 125.28 3dm6 s GLU 200 Ca 0.54 1.05 -0.06 0.00 0.36 0.00 0.00 54.97 56.87 3dm6 s GLU 200 Cb 0.04 -2.81 -0.01 0.00 0.26 0.00 0.00 34.13 31.60 3dm6 s GLU 200 CO 0.08 0.33 0.39 0.14 -0.54 0.00 0.00 175.26 175.65 3dm6 s VAL 201 N -1.59 0.00 -0.16 3.70 -7.23 -0.77 -1.70 120.40 112.65 3dm6 s VAL 201 Ca 0.47 -1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3dm6 s VAL 201 Cb -0.17 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.36 3dm6 s VAL 201 CO 0.22 0.00 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.30 3dm6 s ILE 202 N -3.69 1.27 0.07 -0.62 1.09 -1.26 -4.18 121.20 113.88 3dm6 s ILE 202 Ca 0.30 -0.64 -0.25 0.00 -1.10 0.00 0.00 60.65 58.96 3dm6 s ILE 202 Cb 0.01 -1.35 -0.06 0.00 -1.06 0.00 0.00 42.46 40.00 3dm6 s ILE 202 CO 0.14 0.23 0.79 -0.63 -0.10 0.00 0.00 174.94 175.37 3dm6 s ILE 203 N 1.58 4.64 -0.06 2.92 1.01 -1.26 -2.11 121.20 127.92 3dm6 s ILE 203 Ca 0.02 1.68 0.04 0.00 0.00 0.00 0.00 60.65 62.40 3dm6 s ILE 203 Cb -0.15 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.12 3dm6 s ILE 203 CO -0.08 0.39 0.01 1.33 0.00 0.00 0.00 174.94 176.58 3dm6 n VAL 204 N 2.58 0.41 -3.86 2.92 0.24 -0.44 -4.74 118.33 115.44 3dm6 n VAL 204 Ca -0.03 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 3dm6 n VAL 204 Cb 0.50 -0.83 -0.12 0.00 -1.47 0.00 0.00 33.84 31.92 3dm6 n VAL 204 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3dm6 s ARG 205 N -2.14 0.23 -0.10 7.34 3.52 -1.22 -4.65 118.95 121.91 3dm6 s ARG 205 Ca -0.04 -0.04 -0.00 0.00 -0.13 0.00 0.00 55.73 55.52 3dm6 s ARG 205 Cb 0.02 0.10 0.02 0.00 -1.56 0.00 0.00 34.95 33.53 3dm6 s ARG 205 CO 0.23 -0.04 -0.07 0.08 -0.81 0.00 0.00 175.30 174.69 3dm6 s VAL 206 N -0.41 0.93 -0.04 7.11 1.01 -1.26 0.00 120.40 127.75 3dm6 s VAL 206 Ca -0.05 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.77 3dm6 s VAL 206 Cb -0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3dm6 s VAL 206 CO 0.00 0.35 -0.25 -1.61 0.00 0.00 0.00 175.10 173.59 3dm6 s GLU 207 N 1.66 2.27 -0.24 2.72 2.02 -0.59 -0.87 118.70 125.66 3dm6 s GLU 207 Ca 0.03 -0.90 -0.02 0.00 0.02 0.00 0.00 54.97 54.10 3dm6 s GLU 207 Cb -0.13 -2.06 0.02 0.00 0.10 0.00 0.00 34.13 32.06 3dm6 s GLU 207 CO -0.07 0.47 -0.06 0.42 0.02 0.00 0.00 175.26 176.04 3dm6 s ILE 208 N -0.40 2.98 -1.31 -1.63 1.01 -1.14 0.01 121.20 120.72 3dm6 s ILE 208 Ca 0.04 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 3dm6 s ILE 208 Cb -0.12 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.89 3dm6 s ILE 208 CO 0.01 0.26 1.12 0.59 0.00 0.00 0.00 174.94 176.92 3dm6 n ASN 209 N 4.70 -4.89 -3.39 3.58 4.13 -0.19 -3.28 115.26 115.92 3dm6 n ASN 209 Ca -0.17 -0.57 -0.17 0.00 1.68 0.00 0.00 54.58 55.35 3dm6 n ASN 209 Cb 0.48 -5.05 0.03 0.00 -1.54 0.00 0.00 39.78 33.70 3dm6 n ASN 209 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dm6 n GLY 210 N -1.71 -1.16 3.15 7.41 0.00 -1.26 -5.00 105.19 106.61 3dm6 n GLY 210 Ca -0.09 0.51 0.04 0.00 0.00 0.00 0.00 46.02 46.48 3dm6 n GLY 210 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dm6 s GLN 211 N -4.51 0.54 -0.01 1.61 -0.21 -1.21 -5.12 119.66 110.75 3dm6 s GLN 211 Ca 0.26 0.60 -0.38 0.00 0.02 0.00 0.00 55.36 55.86 3dm6 s GLN 211 Cb -0.07 0.29 -0.17 0.00 1.00 0.00 0.00 33.01 34.06 3dm6 s GLN 211 CO 0.80 -0.94 1.43 -3.47 -2.12 0.00 0.00 175.29 170.98 3dm6 n ASP 212 N 5.41 1.72 -0.99 5.90 -0.08 -1.26 -2.90 116.55 124.34 3dm6 n ASP 212 Ca 0.04 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 3dm6 n ASP 212 Cb 0.54 -1.16 0.00 0.00 2.34 0.00 0.00 41.12 42.84 3dm6 n ASP 212 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3dm6 n LEU 213 N 3.17 1.84 -0.33 -2.67 7.94 -0.05 -4.90 117.00 122.01 3dm6 n LEU 213 Ca 0.21 -0.92 0.00 0.00 -1.11 0.00 0.00 56.01 54.18 3dm6 n LEU 213 Cb 0.17 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 43.80 3dm6 n LEU 213 CO 0.67 0.31 0.00 0.29 -1.11 0.00 0.00 177.39 177.55 3dm6 n LYS 214 N 0.68 0.00 -4.10 1.96 5.02 -1.26 -4.89 118.16 115.56 3dm6 n LYS 214 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3dm6 n LYS 214 Cb 0.31 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.21 3dm6 n LYS 214 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3dm6 s MET 215 N -0.20 0.63 -0.11 1.97 -1.94 -1.26 -5.09 119.30 113.30 3dm6 s MET 215 Ca 0.00 -0.91 -0.30 0.00 -1.71 0.00 0.00 55.69 52.78 3dm6 s MET 215 Cb 0.00 -0.34 -0.07 0.00 2.01 0.00 0.00 34.83 36.43 3dm6 s MET 215 CO 0.00 0.05 2.10 -3.47 -0.01 0.00 0.00 175.02 173.69 3dm6 n ASP 216 N 1.11 3.60 0.00 3.03 2.03 -1.26 -4.77 116.55 120.29 3dm6 n ASP 216 Ca -0.20 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.66 3dm6 n ASP 216 Cb 0.56 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 3dm6 n ASP 216 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dm6 h LYS 218 N 0.00 0.00 -0.59 0.00 3.64 -1.86 -3.20 116.57 114.55 3dm6 h LYS 218 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3dm6 h LYS 218 Cb 0.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3dm6 h LYS 218 CO 0.00 0.56 0.06 0.93 -2.27 0.00 0.00 179.45 178.73 3dm6 h GLU 219 N 0.00 0.98 0.00 1.90 4.39 0.30 -2.45 114.58 119.71 3dm6 h GLU 219 Ca -0.01 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3dm6 h GLU 219 Cb 1.13 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3dm6 h GLU 219 CO 0.07 0.93 0.00 0.66 -1.16 0.00 0.00 179.01 179.51 3dm6 n TYR 220 N -4.21 0.66 -1.32 4.33 0.53 -1.21 -2.95 117.16 112.99 3dm6 n TYR 220 Ca 0.04 0.34 0.03 0.00 -1.02 0.00 0.00 57.90 57.29 3dm6 n TYR 220 Cb 0.30 -1.04 0.05 0.00 -1.03 0.00 0.00 39.34 37.61 3dm6 n TYR 220 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 3dm6 n ASN 221 N -2.17 1.04 -4.57 7.72 3.02 -0.95 -4.51 115.26 114.84 3dm6 n ASN 221 Ca -0.01 -2.25 -0.42 0.00 -0.03 0.00 0.00 54.58 51.87 3dm6 n ASN 221 Cb 0.04 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 38.92 3dm6 n ASN 221 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3dm6 s TYR 222 N -1.11 3.09 -1.89 3.10 5.04 -1.02 -0.15 117.35 124.42 3dm6 s TYR 222 Ca 0.11 0.37 0.17 0.00 -2.44 0.00 0.00 57.07 55.28 3dm6 s TYR 222 Cb 0.10 -3.39 0.24 0.00 0.35 0.00 0.00 41.96 39.26 3dm6 s TYR 222 CO 0.01 -0.78 1.15 -0.40 -1.34 0.00 0.00 175.55 174.20 3dm6 n ASP 223 N 6.39 2.75 -3.69 4.32 5.68 -1.26 -3.64 116.55 127.10 3dm6 n ASP 223 Ca 0.01 -1.80 -0.04 0.00 -0.50 0.00 0.00 54.79 52.46 3dm6 n ASP 223 Cb 0.48 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.33 3dm6 n ASP 223 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3dm6 s LYS 224 N -1.28 1.07 -0.07 0.11 -2.85 0.79 -4.89 119.74 112.62 3dm6 s LYS 224 Ca 0.25 -0.56 0.01 0.00 -1.00 0.00 0.00 55.97 54.67 3dm6 s LYS 224 Cb 0.16 0.39 0.02 0.00 -2.06 0.00 0.00 37.83 36.34 3dm6 s LYS 224 CO 0.22 -0.49 -0.06 -1.12 0.10 0.00 0.00 175.35 174.00 3dm6 s SER 225 N -2.84 1.58 0.27 0.03 0.01 -1.26 -1.00 113.70 110.50 3dm6 s SER 225 Ca 0.11 -0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.24 3dm6 s SER 225 Cb -0.01 -0.64 -0.06 0.00 0.21 0.00 0.00 66.02 65.52 3dm6 s SER 225 CO -0.01 -0.08 -0.10 0.27 0.41 0.00 0.00 173.24 173.74 3dm6 s ILE 226 N 1.25 1.87 -0.27 1.44 -4.36 -0.32 -1.84 121.20 118.97 3dm6 s ILE 226 Ca -0.05 -2.20 -0.04 0.00 -0.26 0.00 0.00 60.65 58.11 3dm6 s ILE 226 Cb -0.14 -2.37 0.02 0.00 1.25 0.00 0.00 42.46 41.22 3dm6 s ILE 226 CO -0.02 -0.36 0.01 -0.69 0.24 0.00 0.00 174.94 174.11 3dm6 s VAL 227 N -2.87 3.35 -0.29 8.37 1.01 -1.00 -0.04 120.40 128.93 3dm6 s VAL 227 Ca 0.28 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 3dm6 s VAL 227 Cb 0.01 -2.74 0.10 0.00 0.00 0.00 0.00 36.38 33.75 3dm6 s VAL 227 CO 0.12 0.11 0.11 -0.62 0.00 0.00 0.00 175.10 174.82 3dm6 s ASP 228 N 1.39 3.64 0.42 3.32 2.15 -0.41 -4.54 116.67 122.64 3dm6 s ASP 228 Ca 0.01 -1.37 0.18 0.00 0.43 0.00 0.00 52.55 51.80 3dm6 s ASP 228 Cb -0.17 -0.54 0.95 0.00 -0.30 0.00 0.00 42.92 42.85 3dm6 s ASP 228 CO -0.01 -0.42 1.89 0.77 -0.17 0.00 0.00 175.17 177.23 3dm6 h SER 229 N 8.29 0.00 0.00 -0.34 4.64 -1.84 -1.95 113.55 122.34 3dm6 h SER 229 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3dm6 h SER 229 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3dm6 h SER 229 CO 0.44 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 3dm6 n GLY 230 N -0.44 -0.76 3.37 -0.77 0.00 -1.25 -4.60 105.19 100.74 3dm6 n GLY 230 Ca -0.02 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3dm6 n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dm6 s THR 231 N -2.00 2.47 -0.07 2.61 2.01 -0.73 -5.05 115.64 114.88 3dm6 s THR 231 Ca 0.23 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 3dm6 s THR 231 Cb 0.10 -1.92 -0.10 0.00 0.01 0.00 0.00 72.50 70.60 3dm6 s THR 231 CO 0.17 0.58 0.50 0.74 -0.69 0.00 0.00 174.62 175.92 3dm6 h THR 232 N 4.58 0.45 -4.40 -0.82 2.02 -1.86 0.30 112.91 113.18 3dm6 h THR 232 Ca -0.42 -1.09 -0.47 0.00 0.77 0.00 0.00 66.41 65.21 3dm6 h THR 232 Cb 1.15 0.80 0.12 0.00 -1.74 0.00 0.00 68.15 68.47 3dm6 h THR 232 CO 0.49 0.13 0.35 0.20 0.37 0.00 0.00 175.52 177.06 3dm6 s ASN 233 N -5.44 4.02 -0.48 4.18 -0.87 -1.26 -1.45 114.94 113.64 3dm6 s ASN 233 Ca -0.08 0.92 -0.20 0.00 -1.57 0.00 0.00 52.86 51.93 3dm6 s ASN 233 Cb -0.00 -1.48 0.04 0.00 -0.02 0.00 0.00 41.25 39.79 3dm6 s ASN 233 CO 0.28 -2.22 0.66 -0.22 -2.57 0.00 0.00 177.10 173.02 3dm6 s LEU 234 N -5.82 4.67 -0.16 0.60 2.96 -0.38 -2.29 118.68 118.26 3dm6 s LEU 234 Ca 0.63 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.87 3dm6 s LEU 234 Cb -0.13 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3dm6 s LEU 234 CO 0.52 -0.87 0.06 -0.13 -1.32 0.00 0.00 176.35 174.61 3dm6 s ARG 235 N 2.84 3.80 0.17 1.98 0.52 -0.60 -1.93 118.95 125.73 3dm6 s ARG 235 Ca 0.20 -0.33 0.10 0.00 -0.52 0.00 0.00 55.73 55.17 3dm6 s ARG 235 Cb -0.16 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 3dm6 s ARG 235 CO 0.16 0.38 -0.21 -0.51 0.02 0.00 0.00 175.30 175.13 3dm6 s LEU 236 N 0.07 2.42 0.44 2.53 1.43 0.47 -0.26 118.68 125.78 3dm6 s LEU 236 Ca 0.05 -0.84 -0.25 0.00 -1.03 0.00 0.00 54.13 52.06 3dm6 s LEU 236 Cb -0.12 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 45.04 3dm6 s LEU 236 CO 0.01 0.04 1.31 -2.84 0.23 0.00 0.00 176.35 175.11 3dm6 s PRO 237 N -2.63 3.76 0.14 1.29 0.02 -1.26 0.24 135.00 136.56 3dm6 s PRO 237 Ca 0.17 2.16 -0.21 0.00 0.02 0.00 0.00 61.00 63.14 3dm6 s PRO 237 Cb -0.07 -2.61 0.02 0.00 0.02 0.00 0.00 34.50 31.85 3dm6 s PRO 237 CO 0.08 -0.67 1.20 1.17 -0.33 0.00 0.00 177.00 178.45 3dm6 n LYS 238 N -0.19 -0.29 -0.07 5.54 4.81 -1.19 -0.07 118.16 126.69 3dm6 n LYS 238 Ca 0.05 1.18 -0.09 0.00 -0.87 0.00 0.00 58.31 58.59 3dm6 n LYS 238 Cb 0.44 -1.74 -0.02 0.00 0.02 0.00 0.00 35.03 33.73 3dm6 n LYS 238 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3dm6 h LYS 239 N 0.00 0.28 -0.28 1.64 6.56 -1.93 0.40 116.57 123.25 3dm6 h LYS 239 Ca 0.17 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 3dm6 h LYS 239 Cb 0.36 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 3dm6 h LYS 239 CO -0.74 0.19 0.15 0.28 -2.06 0.00 0.00 179.45 177.26 3dm6 h VAL 240 N 0.29 1.13 0.86 0.50 2.07 -1.11 -0.43 116.25 119.56 3dm6 h VAL 240 Ca 0.11 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3dm6 h VAL 240 Cb 0.02 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3dm6 h VAL 240 CO -0.06 0.13 -0.48 0.15 0.02 0.00 0.00 177.57 177.32 3dm6 h PHE 241 N 0.33 -1.28 -0.80 1.57 3.57 -0.22 0.21 116.94 120.32 3dm6 h PHE 241 Ca 0.10 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.77 3dm6 h PHE 241 Cb 0.07 0.45 -0.14 0.00 2.79 0.00 0.00 35.95 39.12 3dm6 h PHE 241 CO -0.03 -0.74 -0.00 0.93 -2.23 0.00 0.00 178.31 176.24 3dm6 h GLU 242 N -1.24 0.09 -0.31 1.11 5.08 -0.08 0.40 114.58 119.62 3dm6 h GLU 242 Ca -0.12 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 3dm6 h GLU 242 Cb 0.98 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3dm6 h GLU 242 CO 0.14 0.06 0.06 0.00 -1.00 0.00 0.00 179.01 178.27 3dm6 h ALA 243 N 1.76 0.41 -0.52 3.43 0.00 -0.86 -2.83 119.26 120.65 3dm6 h ALA 243 Ca 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3dm6 h ALA 243 Cb 0.80 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3dm6 h ALA 243 CO -0.72 0.09 0.33 0.00 0.00 0.00 0.00 179.25 178.95 3dm6 h ALA 244 N 0.89 0.66 -0.08 0.00 0.00 0.59 -2.74 119.26 118.58 3dm6 h ALA 244 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3dm6 h ALA 244 Cb 0.33 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3dm6 h ALA 244 CO 0.00 0.13 -0.24 0.28 0.00 0.00 0.00 179.25 179.42 3dm6 h VAL 245 N 0.70 0.43 -0.95 0.00 2.07 -0.94 -0.58 116.25 116.98 3dm6 h VAL 245 Ca 0.19 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.98 3dm6 h VAL 245 Cb -0.04 0.43 -0.14 0.00 -1.52 0.00 0.00 31.29 30.02 3dm6 h VAL 245 CO -0.04 0.00 0.43 0.50 0.02 0.00 0.00 177.57 178.48 3dm6 h LYS 246 N -0.33 0.30 0.08 1.57 3.64 -1.40 0.68 116.57 121.10 3dm6 h LYS 246 Ca 0.08 -0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 59.17 3dm6 h LYS 246 Cb 0.45 -0.07 0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3dm6 h LYS 246 CO -0.27 0.20 -1.16 0.77 -2.27 0.00 0.00 179.45 176.73 3dm6 h SER 247 N 0.31 0.79 -0.10 4.20 0.02 -0.92 0.15 113.55 118.01 3dm6 h SER 247 Ca 0.64 -0.70 -0.15 0.00 -0.84 0.00 0.00 61.79 60.73 3dm6 h SER 247 Cb 1.36 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3dm6 h SER 247 CO -0.61 1.51 -0.47 0.40 -1.14 0.00 0.00 176.83 176.52 3dm6 h ILE 248 N 0.28 1.30 0.67 3.27 2.04 -0.65 0.59 117.51 125.00 3dm6 h ILE 248 Ca -0.15 -1.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.00 3dm6 h ILE 248 Cb 1.82 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 3dm6 h ILE 248 CO 0.22 0.53 -0.44 0.50 0.00 0.00 0.00 178.15 178.95 3dm6 h LYS 249 N 0.52 -1.02 -0.77 2.37 3.64 0.42 -2.42 116.57 119.30 3dm6 h LYS 249 Ca 0.03 0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.61 3dm6 h LYS 249 Cb 1.02 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 3dm6 h LYS 249 CO 0.10 -0.68 0.51 0.00 -2.27 0.00 0.00 179.45 177.10 3dm6 h ALA 250 N -0.87 2.01 -0.18 5.00 0.00 -0.61 -2.19 119.26 122.43 3dm6 h ALA 250 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3dm6 h ALA 250 Cb 0.87 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3dm6 h ALA 250 CO 0.06 -0.21 -0.53 0.00 0.00 0.00 0.00 179.25 178.58 3dm6 h ALA 251 N 1.64 0.76 -0.47 0.00 0.00 -0.73 -3.34 119.26 117.12 3dm6 h ALA 251 Ca 0.38 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dm6 h ALA 251 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3dm6 h ALA 251 CO -0.13 0.68 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 3dm6 n SER 252 N -3.96 3.31 0.00 0.00 3.41 -0.92 -4.67 113.62 110.79 3dm6 n SER 252 Ca -0.03 -1.96 0.02 0.00 -0.26 0.00 0.00 58.87 56.64 3dm6 n SER 252 Cb 0.59 -0.31 0.09 0.00 -0.26 0.00 0.00 64.21 64.32 3dm6 n SER 252 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dm6 n SER 253 N 1.07 0.00 0.00 4.04 3.41 -0.87 -1.27 113.62 120.00 3dm6 n SER 253 Ca 0.17 -0.41 0.07 0.00 -0.26 0.00 0.00 58.87 58.44 3dm6 n SER 253 Cb 0.51 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.86 3dm6 n SER 253 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3dm6 n THR 254 N -0.69 0.22 -3.80 6.66 -1.04 -1.26 -4.70 114.28 109.66 3dm6 n THR 254 Ca 0.02 0.05 -0.13 0.00 -2.04 0.00 0.00 64.05 61.96 3dm6 n THR 254 Cb 0.01 -0.83 -0.11 0.00 -1.82 0.00 0.00 70.33 67.58 3dm6 n THR 254 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3dm6 s GLU 255 N -2.20 0.30 0.21 -2.82 2.02 -0.40 -5.16 118.70 110.66 3dm6 s GLU 255 Ca 0.19 0.22 -0.08 0.00 0.02 0.00 0.00 54.97 55.32 3dm6 s GLU 255 Cb 0.10 0.14 -0.07 0.00 0.10 0.00 0.00 34.13 34.41 3dm6 s GLU 255 CO 0.18 -0.05 0.50 -1.59 0.02 0.00 0.00 175.26 174.33 3dm6 s LYS 256 N -0.09 3.73 0.04 1.61 0.00 -1.26 -4.99 119.74 118.78 3dm6 s LYS 256 Ca -0.02 0.14 0.03 0.00 0.00 0.00 0.00 55.97 56.12 3dm6 s LYS 256 Cb -0.02 -2.70 -0.02 0.00 0.00 0.00 0.00 37.83 35.08 3dm6 s LYS 256 CO 0.01 0.35 -0.10 -0.06 0.00 0.00 0.00 175.35 175.55 3dm6 s PHE 257 N -1.80 0.85 0.20 1.78 0.40 -1.26 -5.11 117.98 113.03 3dm6 s PHE 257 Ca 0.45 -0.43 -0.32 0.00 -0.60 0.00 0.00 56.93 56.03 3dm6 s PHE 257 Cb -0.11 -0.50 -0.12 0.00 0.51 0.00 0.00 43.02 42.80 3dm6 s PHE 257 CO 0.23 -0.03 1.73 -1.25 0.70 0.00 0.00 175.22 176.60 3dm6 s PRO 258 N -1.41 4.13 0.00 0.24 0.04 -1.26 -4.83 135.00 131.91 3dm6 s PRO 258 Ca -0.05 2.60 0.01 0.00 0.04 0.00 0.00 61.00 63.59 3dm6 s PRO 258 Cb -0.09 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.35 3dm6 s PRO 258 CO 0.01 -0.76 0.84 -0.40 0.04 0.00 0.00 177.00 176.73 3dm6 n ASP 259 N 4.17 0.00 -0.07 6.66 5.68 -1.26 -0.29 116.55 131.44 3dm6 n ASP 259 Ca 0.16 0.30 0.14 0.00 -0.50 0.00 0.00 54.79 54.89 3dm6 n ASP 259 Cb 0.36 -0.31 0.57 0.00 -1.14 0.00 0.00 41.12 40.60 3dm6 n ASP 259 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dm6 n GLY 260 N -1.24 -1.11 0.30 6.12 0.00 -1.26 -3.47 105.19 104.53 3dm6 n GLY 260 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 3dm6 n GLY 260 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dm6 h PHE 261 N 0.35 1.16 0.00 1.61 3.57 -0.87 -0.99 116.94 121.77 3dm6 h PHE 261 Ca 0.00 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 3dm6 h PHE 261 Cb 0.40 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 3dm6 h PHE 261 CO 0.00 1.07 -0.13 -1.49 -2.23 0.00 0.00 178.31 175.53 3dm6 h TRP 262 N 0.92 0.00 -0.27 0.41 4.06 -1.74 -0.46 115.95 118.87 3dm6 h TRP 262 Ca 0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.09 3dm6 h TRP 262 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 3dm6 h TRP 262 CO 0.05 0.13 0.00 1.28 -3.56 0.00 0.00 178.44 176.34 3dm6 n LEU 263 N -3.24 1.51 -0.80 -4.49 4.77 -1.14 -4.92 117.00 108.69 3dm6 n LEU 263 Ca 0.01 -0.74 -0.10 0.00 -0.03 0.00 0.00 56.01 55.14 3dm6 n LEU 263 Cb 0.42 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3dm6 n LEU 263 CO 0.32 0.37 -0.10 0.61 -1.33 0.00 0.00 177.39 177.26 3dm6 n GLY 264 N 0.97 1.14 0.13 -0.72 0.00 -0.18 -4.91 105.19 101.62 3dm6 n GLY 264 Ca 0.10 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 3dm6 n GLY 264 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dm6 n GLU 265 N -2.14 0.70 -4.09 1.61 1.02 -0.39 -4.80 120.64 112.54 3dm6 n GLU 265 Ca -0.10 0.35 -0.31 0.00 -0.02 0.00 0.00 57.16 57.08 3dm6 n GLU 265 Cb 0.41 -1.72 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 3dm6 n GLU 265 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3dm6 s GLN 266 N -2.50 2.82 0.78 3.49 -0.21 -1.14 -5.00 119.66 117.90 3dm6 s GLN 266 Ca -0.25 -0.70 -0.09 0.00 0.02 0.00 0.00 55.36 54.35 3dm6 s GLN 266 Cb 0.07 -2.70 0.09 0.00 1.00 0.00 0.00 33.01 31.47 3dm6 s GLN 266 CO 0.71 0.57 1.11 -0.51 -2.12 0.00 0.00 175.29 175.05 3dm6 s LEU 267 N -2.24 2.73 0.04 2.90 1.43 -1.26 -4.44 118.68 117.84 3dm6 s LEU 267 Ca 0.27 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 3dm6 s LEU 267 Cb -0.12 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 3dm6 s LEU 267 CO 0.19 -1.89 -0.10 0.68 0.23 0.00 0.00 176.35 175.47 3dm6 s VAL 268 N -3.43 0.74 -0.02 -1.59 -7.23 -0.72 -4.90 120.40 103.25 3dm6 s VAL 268 Ca 0.63 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 3dm6 s VAL 268 Cb -0.09 -0.74 0.01 0.00 0.56 0.00 0.00 36.38 36.12 3dm6 s VAL 268 CO 0.47 -0.22 -0.05 0.00 -0.31 0.00 0.00 175.10 175.00 3dm6 s TRP 270 N 0.38 1.58 0.36 0.00 0.51 -1.00 -4.99 118.94 115.78 3dm6 s TRP 270 Ca -0.04 -0.41 -0.29 0.00 -2.12 0.00 0.00 56.10 53.24 3dm6 s TRP 270 Cb -0.08 -0.89 -0.11 0.00 -0.81 0.00 0.00 33.47 31.58 3dm6 s TRP 270 CO -0.00 0.13 1.51 1.14 -0.51 0.00 0.00 176.95 179.22 3dm6 s GLN 271 N -1.65 4.11 0.08 4.98 -2.07 -1.26 -1.77 119.66 122.08 3dm6 s GLN 271 Ca 0.04 2.58 -0.23 0.00 -1.82 0.00 0.00 55.36 55.92 3dm6 s GLN 271 Cb -0.10 -2.98 -0.13 0.00 -1.09 0.00 0.00 33.01 28.72 3dm6 s GLN 271 CO 0.03 -0.56 0.53 0.00 -1.32 0.00 0.00 175.29 173.97 3dm6 n ALA 272 N 0.88 -2.47 -0.25 2.60 0.00 -1.20 -1.74 120.51 118.33 3dm6 n ALA 272 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3dm6 n ALA 272 Cb 0.39 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3dm6 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dm6 n GLY 273 N 1.23 2.17 0.76 0.00 0.00 -1.26 -4.87 105.19 103.23 3dm6 n GLY 273 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 3dm6 n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dm6 n THR 274 N -2.00 1.97 -1.72 2.61 -2.24 -0.71 -5.01 114.28 107.17 3dm6 n THR 274 Ca 0.00 -1.71 -0.42 0.00 -2.27 0.00 0.00 64.05 59.65 3dm6 n THR 274 Cb 0.00 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 3dm6 n THR 274 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3dm6 n THR 275 N -0.37 0.03 -2.54 4.28 -1.04 -1.26 -4.87 114.28 108.50 3dm6 n THR 275 Ca 0.18 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.76 3dm6 n THR 275 Cb 0.77 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 3dm6 n THR 275 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3dm6 n PRO 276 N 3.93 3.31 -0.23 -2.82 -0.04 -1.26 -4.78 135.00 133.11 3dm6 n PRO 276 Ca 0.16 -3.45 -0.03 0.00 -0.04 0.00 0.00 63.50 60.13 3dm6 n PRO 276 Cb 0.35 -3.17 0.07 0.00 -0.04 0.00 0.00 33.50 30.71 3dm6 n PRO 276 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3dm6 h TRP 277 N 6.77 0.73 -0.90 0.54 4.06 -1.95 -3.02 115.95 122.18 3dm6 h TRP 277 Ca 0.41 0.02 0.22 0.00 2.06 0.00 0.00 58.89 61.60 3dm6 h TRP 277 Cb 0.78 -0.23 -0.12 0.00 -1.00 0.00 0.00 29.16 28.59 3dm6 h TRP 277 CO 1.27 0.40 0.40 -2.95 -3.56 0.00 0.00 178.44 174.00 3dm6 h ASN 278 N 0.76 0.35 0.27 -3.49 -1.07 -2.01 -0.46 115.58 109.92 3dm6 h ASN 278 Ca 0.27 0.15 0.00 0.00 0.07 0.00 0.00 56.30 56.79 3dm6 h ASN 278 Cb 0.06 0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.44 3dm6 h ASN 278 CO -0.12 0.01 0.00 2.30 0.07 0.00 0.00 177.43 179.69 3dm6 n ILE 279 N -5.03 0.35 -4.25 6.14 -5.35 -1.14 -4.62 119.36 105.45 3dm6 n ILE 279 Ca 0.22 0.09 -0.34 0.00 -0.27 0.00 0.00 62.75 62.44 3dm6 n ILE 279 Cb 0.65 -0.79 -0.10 0.00 -1.74 0.00 0.00 39.64 37.66 3dm6 n ILE 279 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3dm6 s PHE 280 N -2.44 3.15 0.57 4.28 0.40 -0.18 -2.84 117.98 120.92 3dm6 s PHE 280 Ca 0.20 -0.01 -0.14 0.00 -0.60 0.00 0.00 56.93 56.38 3dm6 s PHE 280 Cb 0.12 -1.95 -0.06 0.00 0.51 0.00 0.00 43.02 41.65 3dm6 s PHE 280 CO 0.27 0.20 1.01 -1.25 0.70 0.00 0.00 175.22 176.14 3dm6 s PRO 281 N -0.04 3.76 0.37 0.24 0.04 -1.26 -4.81 135.00 133.29 3dm6 s PRO 281 Ca 0.04 0.86 -0.20 0.00 0.04 0.00 0.00 61.00 61.73 3dm6 s PRO 281 Cb -0.13 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 3dm6 s PRO 281 CO 0.02 -0.43 0.88 0.14 0.04 0.00 0.00 177.00 177.64 3dm6 s VAL 282 N -2.90 4.44 -0.08 -0.36 -7.23 -1.26 -4.43 120.40 108.58 3dm6 s VAL 282 Ca 0.57 1.41 0.01 0.00 -1.81 0.00 0.00 61.98 62.16 3dm6 s VAL 282 Cb -0.11 -3.70 -0.02 0.00 0.56 0.00 0.00 36.38 33.11 3dm6 s VAL 282 CO 0.43 -0.15 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.32 3dm6 s ILE 283 N -1.97 3.25 -0.16 -0.62 1.01 -0.54 -1.02 121.20 121.15 3dm6 s ILE 283 Ca 0.56 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.59 3dm6 s ILE 283 Cb -0.12 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.05 3dm6 s ILE 283 CO 0.17 0.57 -0.19 -0.44 0.00 0.00 0.00 174.94 175.05 3dm6 s SER 284 N -0.37 2.99 -0.23 3.58 0.01 0.10 0.17 113.70 119.96 3dm6 s SER 284 Ca 0.04 -0.60 -0.07 0.00 1.31 0.00 0.00 55.95 56.63 3dm6 s SER 284 Cb -0.12 -1.39 -0.03 0.00 0.21 0.00 0.00 66.02 64.68 3dm6 s SER 284 CO 0.02 -0.00 0.07 -0.76 0.41 0.00 0.00 173.24 172.98 3dm6 s LEU 285 N 1.26 3.60 -0.24 2.44 1.43 -0.12 -1.55 118.68 125.50 3dm6 s LEU 285 Ca 0.03 -0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 52.87 3dm6 s LEU 285 Cb -0.13 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3dm6 s LEU 285 CO -0.11 0.04 0.41 -0.31 0.23 0.00 0.00 176.35 176.61 3dm6 s TYR 286 N 1.19 3.30 0.19 0.29 1.51 0.10 0.68 117.35 124.61 3dm6 s TYR 286 Ca 0.05 0.53 0.05 0.00 -1.01 0.00 0.00 57.07 56.69 3dm6 s TYR 286 Cb -0.14 -2.59 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 3dm6 s TYR 286 CO 0.04 -0.16 0.17 -0.51 -1.11 0.00 0.00 175.55 173.98 3dm6 s LEU 287 N 1.85 3.87 0.05 -1.29 1.43 0.24 -1.33 118.68 123.51 3dm6 s LEU 287 Ca 0.18 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 3dm6 s LEU 287 Cb -0.15 -2.46 -0.08 0.00 0.03 0.00 0.00 46.19 43.53 3dm6 s LEU 287 CO 0.09 0.03 1.70 -0.32 0.23 0.00 0.00 176.35 178.08 3dm6 s MET 288 N -3.35 4.18 1.42 1.70 -2.45 -0.90 -2.04 119.30 117.88 3dm6 s MET 288 Ca 0.32 2.36 -0.23 0.00 -1.25 0.00 0.00 55.69 56.89 3dm6 s MET 288 Cb -0.09 -3.71 0.37 0.00 1.25 0.00 0.00 34.83 32.64 3dm6 s MET 288 CO 0.24 -0.78 0.94 0.20 1.05 0.00 0.00 175.02 176.67 3dm6 s GLY 289 N 2.78 1.42 -0.08 2.11 0.00 0.32 -3.99 107.32 109.87 3dm6 s GLY 289 Ca 0.76 -0.85 -0.17 0.00 0.00 0.00 0.00 44.72 44.46 3dm6 s GLY 289 CO 0.33 0.16 0.66 0.83 0.00 0.00 0.00 173.10 175.08 3dm6 h GLU 290 N -3.42 0.29 -6.63 2.90 5.08 -1.75 -3.39 114.58 107.65 3dm6 h GLU 290 Ca -0.43 -0.49 -0.51 0.00 -1.00 0.00 0.00 59.36 56.94 3dm6 h GLU 290 Cb 1.34 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 3dm6 h GLU 290 CO 0.27 1.23 0.01 0.14 -1.00 0.00 0.00 179.01 179.67 3dm6 s VAL 291 N -2.48 4.82 0.23 3.13 -7.23 -1.26 -4.98 120.40 112.62 3dm6 s VAL 291 Ca -0.18 0.64 -0.32 0.00 -1.81 0.00 0.00 61.98 60.32 3dm6 s VAL 291 Cb 0.04 -3.65 -0.12 0.00 0.56 0.00 0.00 36.38 33.21 3dm6 s VAL 291 CO 0.80 -0.23 1.66 0.41 -0.31 0.00 0.00 175.10 177.43 3dm6 n THR 292 N -0.53 0.30 0.00 5.32 -1.04 -1.26 -1.60 114.28 115.47 3dm6 n THR 292 Ca 0.02 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3dm6 n THR 292 Cb 0.53 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 3dm6 n THR 292 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3dm6 n ASN 293 N 3.36 0.00 -4.77 8.00 4.13 -1.26 -4.99 115.26 119.72 3dm6 n ASN 293 Ca 0.14 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.04 3dm6 n ASN 293 Cb 0.34 -0.98 -0.00 0.00 -1.54 0.00 0.00 39.78 37.60 3dm6 n ASN 293 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3dm6 s GLN 294 N 0.00 3.53 0.27 3.52 0.74 -0.63 -2.29 119.66 124.80 3dm6 s GLN 294 Ca 0.00 1.66 -0.20 0.00 0.05 0.00 0.00 55.36 56.87 3dm6 s GLN 294 Cb 0.00 -2.17 0.05 0.00 1.10 0.00 0.00 33.01 32.00 3dm6 s GLN 294 CO 0.00 -0.71 0.87 -1.54 -0.55 0.00 0.00 175.29 173.36 3dm6 s SER 295 N -1.62 -0.09 0.11 6.67 1.04 0.39 -0.52 113.70 119.69 3dm6 s SER 295 Ca 0.69 -0.77 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 3dm6 s SER 295 Cb -0.25 0.67 0.01 0.00 0.10 0.00 0.00 66.02 66.55 3dm6 s SER 295 CO 0.30 -1.30 0.29 0.72 0.98 0.00 0.00 173.24 174.23 3dm6 s PHE 296 N -2.82 0.03 -0.06 5.02 -0.12 -0.86 -0.03 117.98 119.14 3dm6 s PHE 296 Ca 0.15 -0.41 0.01 0.00 -0.05 0.00 0.00 56.93 56.63 3dm6 s PHE 296 Cb -0.04 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 3dm6 s PHE 296 CO 0.07 -0.64 -0.06 -0.98 -0.05 0.00 0.00 175.22 173.56 3dm6 s ARG 297 N -3.85 2.74 -0.15 1.99 1.70 -0.46 0.81 118.95 121.74 3dm6 s ARG 297 Ca 0.06 -0.56 -0.03 0.00 -0.47 0.00 0.00 55.73 54.73 3dm6 s ARG 297 Cb 0.03 -2.60 -0.03 0.00 -0.57 0.00 0.00 34.95 31.79 3dm6 s ARG 297 CO -0.10 0.66 -0.05 0.96 -1.08 0.00 0.00 175.30 175.69 3dm6 s ILE 298 N -0.85 3.77 -0.10 4.99 -4.36 0.21 -1.03 121.20 123.85 3dm6 s ILE 298 Ca 0.13 -0.40 -0.03 0.00 -0.26 0.00 0.00 60.65 60.09 3dm6 s ILE 298 Cb -0.11 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.93 3dm6 s ILE 298 CO 0.02 0.50 0.02 -0.89 0.24 0.00 0.00 174.94 174.83 3dm6 s THR 299 N 0.31 4.45 -0.13 8.37 2.01 0.30 -0.95 115.64 130.01 3dm6 s THR 299 Ca -0.05 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.77 3dm6 s THR 299 Cb -0.14 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.50 3dm6 s THR 299 CO 0.03 0.60 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.80 3dm6 s ILE 300 N -0.80 1.45 0.59 1.82 1.09 0.13 -3.61 121.20 121.86 3dm6 s ILE 300 Ca 0.12 -0.58 -0.08 0.00 -1.10 0.00 0.00 60.65 59.02 3dm6 s ILE 300 Cb -0.12 -1.36 -0.01 0.00 -1.06 0.00 0.00 42.46 39.92 3dm6 s ILE 300 CO 0.02 0.44 0.93 -0.76 -0.10 0.00 0.00 174.94 175.47 3dm6 s LEU 301 N 1.30 3.27 0.31 2.97 1.43 -1.26 -1.46 118.68 125.24 3dm6 s LEU 301 Ca -0.00 0.97 0.09 0.00 -1.03 0.00 0.00 54.13 54.16 3dm6 s LEU 301 Cb -0.14 -3.87 0.50 0.00 0.03 0.00 0.00 46.19 42.71 3dm6 s LEU 301 CO -0.06 -0.96 1.71 -0.65 0.23 0.00 0.00 176.35 176.62 3dm6 h PRO 302 N -0.19 0.13 0.00 1.29 0.11 -1.87 -1.39 132.00 130.08 3dm6 h PRO 302 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3dm6 h PRO 302 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dm6 h PRO 302 CO 0.62 0.56 0.15 1.04 -0.21 0.00 0.00 178.00 180.16 3dm6 n GLN 303 N -4.00 0.00 -0.05 1.05 3.00 -1.26 -0.11 117.38 116.01 3dm6 n GLN 303 Ca -0.02 0.19 -0.04 0.00 -0.01 0.00 0.00 57.00 57.12 3dm6 n GLN 303 Cb 0.49 -1.65 -0.08 0.00 0.00 0.00 0.00 30.24 28.99 3dm6 n GLN 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3dm6 n GLN 304 N -1.12 2.23 -0.00 -1.09 6.02 -0.53 -4.66 117.38 118.23 3dm6 n GLN 304 Ca 0.00 -0.01 0.06 0.00 -0.01 0.00 0.00 57.00 57.04 3dm6 n GLN 304 Cb 0.15 -1.26 -0.07 0.00 1.02 0.00 0.00 30.24 30.08 3dm6 n GLN 304 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 3dm6 n TYR 305 N -2.35 0.00 -3.34 1.08 0.18 -0.61 -4.61 117.16 107.51 3dm6 n TYR 305 Ca -0.16 0.00 -0.46 0.00 1.88 0.00 0.00 57.90 59.17 3dm6 n TYR 305 Cb 0.80 -0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.71 3dm6 n TYR 305 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3dm6 s LEU 306 N -2.63 6.22 -0.13 -3.48 1.43 0.84 0.17 118.68 121.12 3dm6 s LEU 306 Ca 0.05 -1.95 -0.17 0.00 -1.03 0.00 0.00 54.13 51.02 3dm6 s LEU 306 Cb 0.10 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 3dm6 s LEU 306 CO 0.54 -0.79 0.43 -0.60 0.23 0.00 0.00 176.35 176.15 3dm6 s ARG 307 N 1.33 4.31 0.13 1.70 3.52 0.13 -4.71 118.95 125.36 3dm6 s ARG 307 Ca 0.06 0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 55.72 3dm6 s ARG 307 Cb -0.26 -3.43 -0.07 0.00 -1.56 0.00 0.00 34.95 29.63 3dm6 s ARG 307 CO 0.01 0.19 1.17 -1.25 -0.81 0.00 0.00 175.30 174.60 3dm6 s PRO 308 N 0.55 4.50 -0.18 5.12 0.04 -1.26 -0.02 135.00 143.75 3dm6 s PRO 308 Ca 0.24 1.79 0.01 0.00 0.04 0.00 0.00 61.00 63.08 3dm6 s PRO 308 Cb -0.15 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.12 3dm6 s PRO 308 CO 0.09 -0.11 -0.19 0.08 0.04 0.00 0.00 177.00 176.91 3dm6 s VAL 309 N 0.33 2.01 0.09 -0.36 1.01 -0.31 -4.90 120.40 118.27 3dm6 s VAL 309 Ca 0.54 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 3dm6 s VAL 309 Cb -0.30 -1.84 -0.15 0.00 0.00 0.00 0.00 36.38 34.09 3dm6 s VAL 309 CO 0.33 0.50 0.63 1.21 0.00 0.00 0.00 175.10 177.78 3dm6 n GLU 310 N 4.63 0.00 0.04 2.72 4.07 -1.26 -4.23 120.64 126.61 3dm6 n GLU 310 Ca -0.20 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.90 3dm6 n GLU 310 Cb 0.50 -1.01 0.00 0.00 -0.06 0.00 0.00 31.44 30.86 3dm6 n GLU 310 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3dm6 n SER 315 N 1.48 0.00 -1.56 4.31 2.88 -1.26 -4.98 113.62 114.49 3dm6 n SER 315 Ca 0.16 0.06 -0.04 0.00 -1.33 0.00 0.00 58.87 57.71 3dm6 n SER 315 Cb 0.15 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.62 3dm6 n SER 315 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dm6 n GLN 316 N -0.85 1.21 -1.71 -1.46 3.00 -1.26 -4.85 117.38 111.46 3dm6 n GLN 316 Ca 0.00 -0.42 -0.30 0.00 -0.01 0.00 0.00 57.00 56.26 3dm6 n GLN 316 Cb 0.38 -1.17 0.06 0.00 0.00 0.00 0.00 30.24 29.51 3dm6 n GLN 316 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3dm6 s ASP 317 N 1.42 5.25 -0.22 1.08 -0.00 -1.26 -3.26 116.67 119.67 3dm6 s ASP 317 Ca 0.08 1.33 -0.12 0.00 -0.00 0.00 0.00 52.55 53.84 3dm6 s ASP 317 Cb 0.07 -2.16 -0.05 0.00 -0.00 0.00 0.00 42.92 40.78 3dm6 s ASP 317 CO 0.00 -1.49 0.20 -1.81 -0.00 0.00 0.00 175.17 172.07 3dm6 s ASP 318 N -4.08 6.20 0.09 0.27 1.01 -0.73 -4.74 116.67 114.69 3dm6 s ASP 318 Ca 0.58 0.22 0.10 0.00 0.71 0.00 0.00 52.55 54.16 3dm6 s ASP 318 Cb -0.13 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.64 3dm6 s ASP 318 CO 0.54 0.06 -0.26 0.00 0.21 0.00 0.00 175.17 175.71 3dm6 s TYR 320 N -0.95 0.48 0.16 0.00 1.51 0.63 -1.16 117.35 118.03 3dm6 s TYR 320 Ca 0.13 -0.09 -0.14 0.00 -1.01 0.00 0.00 57.07 55.96 3dm6 s TYR 320 Cb -0.10 -0.43 -0.07 0.00 -0.11 0.00 0.00 41.96 41.25 3dm6 s TYR 320 CO 0.04 -0.10 0.56 0.21 -1.11 0.00 0.00 175.55 175.15 3dm6 s LYS 321 N 0.54 3.96 -0.69 -0.62 2.20 0.97 -1.75 119.74 124.36 3dm6 s LYS 321 Ca -0.06 0.48 -0.27 0.00 -0.36 0.00 0.00 55.97 55.76 3dm6 s LYS 321 Cb -0.09 -2.88 0.03 0.00 -1.51 0.00 0.00 37.83 33.38 3dm6 s LYS 321 CO -0.01 0.45 1.22 0.12 -0.36 0.00 0.00 175.35 176.77 3dm6 s PHE 322 N -1.53 2.41 -1.21 4.03 5.36 -1.26 0.17 117.98 125.95 3dm6 s PHE 322 Ca 0.40 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.41 3dm6 s PHE 322 Cb -0.14 -4.56 0.08 0.00 -0.34 0.00 0.00 43.02 38.06 3dm6 s PHE 322 CO 0.19 -1.90 0.73 0.00 -1.46 0.00 0.00 175.22 172.79 3dm6 n ALA 323 N 8.95 2.60 -3.20 11.12 0.00 0.13 -4.53 120.51 135.56 3dm6 n ALA 323 Ca 0.04 -0.17 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 3dm6 n ALA 323 Cb 0.49 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 3dm6 n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dm6 s ILE 324 N -1.36 3.89 0.30 0.00 1.01 -1.26 -1.25 121.20 122.53 3dm6 s ILE 324 Ca 0.05 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.94 3dm6 s ILE 324 Cb 0.04 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 3dm6 s ILE 324 CO 0.02 0.03 0.04 -0.94 0.00 0.00 0.00 174.94 174.08 3dm6 s SER 325 N 1.47 2.23 0.31 3.58 1.04 -0.81 -4.88 113.70 116.63 3dm6 s SER 325 Ca 0.02 -1.33 -0.14 0.00 0.48 0.00 0.00 55.95 54.98 3dm6 s SER 325 Cb -0.18 -0.06 -0.09 0.00 0.10 0.00 0.00 66.02 65.80 3dm6 s SER 325 CO 0.02 -0.57 0.70 -1.58 0.98 0.00 0.00 173.24 172.80 3dm6 s GLN 326 N -3.88 3.96 0.11 4.02 0.74 -1.26 -0.40 119.66 122.96 3dm6 s GLN 326 Ca 0.34 0.59 0.03 0.00 0.05 0.00 0.00 55.36 56.38 3dm6 s GLN 326 Cb 0.08 -2.47 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 3dm6 s GLN 326 CO 0.14 0.19 -0.08 0.45 -0.55 0.00 0.00 175.29 175.43 3dm6 s SER 327 N -2.29 1.41 -0.07 6.67 0.15 0.66 -4.66 113.70 115.57 3dm6 s SER 327 Ca 0.53 -0.97 0.13 0.00 0.70 0.00 0.00 55.95 56.34 3dm6 s SER 327 Cb -0.10 0.04 0.25 0.00 -1.71 0.00 0.00 66.02 64.50 3dm6 s SER 327 CO 0.18 -0.38 1.12 -1.54 1.20 0.00 0.00 173.24 173.82 3dm6 n SER 328 N 0.04 1.14 -0.27 5.45 3.41 -1.26 -3.18 113.62 118.94 3dm6 n SER 328 Ca -0.12 -2.62 0.04 0.00 -0.26 0.00 0.00 58.87 55.91 3dm6 n SER 328 Cb 0.60 -0.34 0.06 0.00 -0.26 0.00 0.00 64.21 64.27 3dm6 n SER 328 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dm6 n THR 329 N -0.44 0.87 0.00 6.66 -2.24 -1.26 -4.91 114.28 112.96 3dm6 n THR 329 Ca 0.09 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 3dm6 n THR 329 Cb 0.79 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3dm6 n THR 329 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dm6 n GLY 330 N -0.66 1.08 3.75 3.38 0.00 -1.24 -4.20 105.19 107.31 3dm6 n GLY 330 Ca 0.07 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 3dm6 n GLY 330 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dm6 s THR 331 N -1.47 2.85 -0.22 2.61 2.01 -0.17 -4.45 115.64 116.79 3dm6 s THR 331 Ca 0.00 0.76 0.01 0.00 0.31 0.00 0.00 61.69 62.76 3dm6 s THR 331 Cb 0.00 -3.48 0.05 0.00 0.01 0.00 0.00 72.50 69.08 3dm6 s THR 331 CO 0.00 0.14 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.32 3dm6 s VAL 332 N -0.39 1.52 -0.96 3.82 1.01 0.64 -1.18 120.40 124.85 3dm6 s VAL 332 Ca 0.55 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 3dm6 s VAL 332 Cb -0.39 -1.73 0.13 0.00 0.00 0.00 0.00 36.38 34.39 3dm6 s VAL 332 CO 0.45 -0.01 1.17 -0.04 0.00 0.00 0.00 175.10 176.67 3dm6 s MET 333 N 1.42 3.64 0.00 2.72 -1.94 0.94 -1.55 119.30 124.53 3dm6 s MET 333 Ca -0.04 -1.81 0.00 0.00 -1.71 0.00 0.00 55.69 52.13 3dm6 s MET 333 Cb -0.18 -4.95 0.00 0.00 2.01 0.00 0.00 34.83 31.71 3dm6 s MET 333 CO -0.07 -1.79 0.00 0.41 -0.01 0.00 0.00 175.02 173.56 3dm6 n GLY 334 N 5.43 1.32 0.32 -0.03 0.00 -0.97 -1.29 105.19 109.96 3dm6 n GLY 334 Ca 0.26 -1.86 0.19 0.00 0.00 0.00 0.00 46.02 44.61 3dm6 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dm6 h ALA 335 N -1.30 1.15 -0.96 4.61 0.00 0.36 0.27 119.26 123.39 3dm6 h ALA 335 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3dm6 h ALA 335 Cb 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3dm6 h ALA 335 CO 0.00 0.02 0.62 0.28 0.00 0.00 0.00 179.25 180.17 3dm6 h VAL 336 N 0.00 1.13 0.00 0.00 2.07 -1.46 -0.80 116.25 117.19 3dm6 h VAL 336 Ca -0.00 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3dm6 h VAL 336 Cb 0.09 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.72 3dm6 h VAL 336 CO 0.00 0.21 -0.10 0.40 0.02 0.00 0.00 177.57 178.11 3dm6 h ILE 337 N 1.17 0.49 0.00 4.57 1.08 -0.81 -3.39 117.51 120.62 3dm6 h ILE 337 Ca 0.39 -1.39 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 3dm6 h ILE 337 Cb 0.07 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 3dm6 h ILE 337 CO -0.14 0.17 0.00 0.24 -0.69 0.00 0.00 178.15 177.72 3dm6 h MET 338 N -1.00 0.00 -0.27 2.37 2.86 -1.24 -2.74 114.93 114.92 3dm6 h MET 338 Ca -0.01 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 3dm6 h MET 338 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3dm6 h MET 338 CO -0.01 0.00 -0.44 0.93 1.06 0.00 0.00 176.91 178.45 3dm6 h GLU 339 N 0.00 0.67 0.00 1.72 5.08 -1.28 -2.86 114.58 117.91 3dm6 h GLU 339 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3dm6 h GLU 339 Cb 0.12 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3dm6 h GLU 339 CO 0.00 0.98 0.18 0.78 -1.00 0.00 0.00 179.01 179.95 3dm6 h GLY 340 N 0.97 0.00 -4.47 -3.84 0.00 -1.70 -3.44 103.07 90.59 3dm6 h GLY 340 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 3dm6 h GLY 340 CO 0.09 0.00 -0.56 -1.36 0.00 0.00 0.00 176.54 174.71 3dm6 s PHE 341 N -3.96 0.17 -0.06 5.60 0.40 -1.08 -2.38 117.98 116.68 3dm6 s PHE 341 Ca -0.04 -0.41 -0.26 0.00 -0.60 0.00 0.00 56.93 55.63 3dm6 s PHE 341 Cb 0.09 -0.13 -0.03 0.00 0.51 0.00 0.00 43.02 43.46 3dm6 s PHE 341 CO 0.29 -0.30 0.82 -0.47 0.70 0.00 0.00 175.22 176.27 3dm6 s TYR 342 N -1.97 3.59 -0.27 0.36 5.04 0.12 -4.46 117.35 119.75 3dm6 s TYR 342 Ca -0.10 1.42 0.01 0.00 -2.44 0.00 0.00 57.07 55.95 3dm6 s TYR 342 Cb -0.05 -2.95 0.08 0.00 0.35 0.00 0.00 41.96 39.38 3dm6 s TYR 342 CO -0.02 0.00 -0.00 0.08 -1.34 0.00 0.00 175.55 174.27 3dm6 s VAL 343 N 1.07 1.53 -0.14 3.14 1.01 -0.99 -1.71 120.40 124.32 3dm6 s VAL 343 Ca 0.43 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.73 3dm6 s VAL 343 Cb -0.19 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3dm6 s VAL 343 CO 0.21 -0.32 0.62 -0.69 0.00 0.00 0.00 175.10 174.92 3dm6 s VAL 344 N 1.35 5.07 -1.12 2.92 1.01 -0.92 -1.17 120.40 127.54 3dm6 s VAL 344 Ca 0.01 1.23 -0.09 0.00 0.00 0.00 0.00 61.98 63.13 3dm6 s VAL 344 Cb -0.19 -3.95 0.28 0.00 0.00 0.00 0.00 36.38 32.52 3dm6 s VAL 344 CO -0.10 0.20 1.19 0.49 0.00 0.00 0.00 175.10 176.88 3dm6 n PHE 345 N 4.32 4.86 -1.40 5.22 3.72 0.21 -1.09 117.46 133.30 3dm6 n PHE 345 Ca -0.03 -3.71 -0.42 0.00 -0.05 0.00 0.00 57.45 53.25 3dm6 n PHE 345 Cb 0.51 -1.67 -0.04 0.00 -0.94 0.00 0.00 39.48 37.33 3dm6 n PHE 345 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3dm6 n ASP 346 N 2.63 2.96 -0.05 4.37 -0.08 -0.55 -2.56 116.55 123.27 3dm6 n ASP 346 Ca 0.25 -2.73 0.22 0.00 -1.51 0.00 0.00 54.79 51.02 3dm6 n ASP 346 Cb 0.38 -1.31 0.69 0.00 2.34 0.00 0.00 41.12 43.22 3dm6 n ASP 346 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3dm6 h ARG 347 N 7.53 0.03 0.72 -0.67 3.08 -1.74 -1.07 114.38 122.26 3dm6 h ARG 347 Ca 0.45 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.46 3dm6 h ARG 347 Cb 0.69 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.74 3dm6 h ARG 347 CO 1.88 0.02 -0.36 0.00 -1.07 0.00 0.00 179.97 180.44 3dm6 h ALA 348 N 1.69 -1.25 -0.69 0.04 0.00 -0.49 -3.19 119.26 115.37 3dm6 h ALA 348 Ca 0.29 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 3dm6 h ALA 348 Cb 1.14 0.40 -0.17 0.00 0.00 0.00 0.00 17.79 19.17 3dm6 h ALA 348 CO -0.01 -1.19 0.36 0.54 0.00 0.00 0.00 179.25 178.95 3dm6 n ARG 349 N -4.68 2.69 -4.29 0.00 1.74 -1.06 -4.89 116.66 106.17 3dm6 n ARG 349 Ca -0.12 -2.44 -0.36 0.00 -0.77 0.00 0.00 57.85 54.15 3dm6 n ARG 349 Cb 0.39 -2.00 -0.05 0.00 -1.02 0.00 0.00 32.46 29.78 3dm6 n ARG 349 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dm6 n LYS 350 N -0.39 -2.33 -4.37 5.56 5.02 -0.76 -4.94 118.16 115.96 3dm6 n LYS 350 Ca 0.40 0.29 -0.19 0.00 -2.02 0.00 0.00 58.31 56.79 3dm6 n LYS 350 Cb 1.30 -4.80 -0.10 0.00 -0.02 0.00 0.00 35.03 31.41 3dm6 n LYS 350 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3dm6 s ARG 351 N -7.02 1.50 -0.12 1.97 1.70 -0.48 -0.96 118.95 115.54 3dm6 s ARG 351 Ca 0.62 -1.82 0.01 0.00 -0.47 0.00 0.00 55.73 54.07 3dm6 s ARG 351 Cb -0.34 -0.53 0.02 0.00 -0.57 0.00 0.00 34.95 33.53 3dm6 s ARG 351 CO 0.96 -0.24 -0.14 0.42 -1.08 0.00 0.00 175.30 175.22 3dm6 s ILE 352 N -3.55 1.47 0.35 4.99 1.01 0.44 -1.48 121.20 124.42 3dm6 s ILE 352 Ca 0.37 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 3dm6 s ILE 352 Cb 0.08 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 3dm6 s ILE 352 CO 0.14 0.44 0.64 -0.83 0.00 0.00 0.00 174.94 175.33 3dm6 s GLY 353 N 1.22 1.82 -0.02 6.18 0.00 -0.25 -1.06 107.32 115.20 3dm6 s GLY 353 Ca -0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 3dm6 s GLY 353 CO -0.05 -0.34 0.03 -1.36 0.00 0.00 0.00 173.10 171.39 3dm6 s PHE 354 N -2.25 0.04 0.01 1.90 0.40 0.56 -2.16 117.98 116.49 3dm6 s PHE 354 Ca 0.46 0.14 -0.05 0.00 -0.60 0.00 0.00 56.93 56.88 3dm6 s PHE 354 Cb -0.10 -0.27 -0.01 0.00 0.51 0.00 0.00 43.02 43.15 3dm6 s PHE 354 CO 0.32 -0.10 0.09 0.00 0.70 0.00 0.00 175.22 176.23 3dm6 s ALA 355 N 1.19 -0.19 0.34 5.36 0.00 -0.70 -0.69 121.76 127.08 3dm6 s ALA 355 Ca -0.08 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 3dm6 s ALA 355 Cb -0.13 0.14 -0.11 0.00 0.00 0.00 0.00 23.12 23.02 3dm6 s ALA 355 CO -0.03 -0.21 1.50 0.14 0.00 0.00 0.00 175.76 177.16 3dm6 s VAL 356 N -1.57 2.15 0.57 0.00 -7.23 -1.25 0.13 120.40 113.19 3dm6 s VAL 356 Ca -0.14 0.14 -0.13 0.00 -1.81 0.00 0.00 61.98 60.05 3dm6 s VAL 356 Cb -0.07 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.72 3dm6 s VAL 356 CO 0.00 0.03 0.99 -0.55 -0.31 0.00 0.00 175.10 175.26 3dm6 s SER 357 N 0.04 6.38 0.05 4.85 0.15 -1.00 -2.62 113.70 121.55 3dm6 s SER 357 Ca 0.56 1.44 -0.25 0.00 0.70 0.00 0.00 55.95 58.39 3dm6 s SER 357 Cb -0.46 -2.47 -0.17 0.00 -1.71 0.00 0.00 66.02 61.21 3dm6 s SER 357 CO 0.57 -0.74 1.54 0.00 1.20 0.00 0.00 173.24 175.81 3dm6 h ALA 358 N 0.21 -0.17 -1.57 5.45 0.00 -1.18 -3.38 119.26 118.62 3dm6 h ALA 358 Ca -0.45 -0.11 -0.61 0.00 0.00 0.00 0.00 54.91 53.74 3dm6 h ALA 358 Cb 1.19 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 3dm6 h ALA 358 CO 0.62 -0.51 0.73 0.00 0.00 0.00 0.00 179.25 180.09 3dm6 s HIS 360 N 4.51 -0.23 -0.53 0.00 -0.00 -1.26 -4.74 115.29 113.03 3dm6 s HIS 360 Ca 0.27 0.56 -0.28 0.00 -0.00 0.00 0.00 55.06 55.62 3dm6 s HIS 360 Cb -0.13 0.08 -0.00 0.00 -0.00 0.00 0.00 32.58 32.53 3dm6 s HIS 360 CO 0.10 -0.14 1.59 0.14 -0.00 0.00 0.00 174.74 176.43 3dm6 s VAL 361 N -0.02 3.62 -0.10 -5.38 -7.23 -1.26 -4.94 120.40 105.10 3dm6 s VAL 361 Ca -0.01 0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 60.38 3dm6 s VAL 361 Cb -0.02 -4.18 -0.08 0.00 0.56 0.00 0.00 36.38 32.66 3dm6 s VAL 361 CO 0.01 -0.98 2.08 1.41 -0.31 0.00 0.00 175.10 177.30 3dm6 n HIS 362 N 10.50 2.24 -4.15 2.82 -0.00 -1.26 -4.88 115.22 120.48 3dm6 n HIS 362 Ca 0.16 -0.21 -0.34 0.00 -0.00 0.00 0.00 57.72 57.33 3dm6 n HIS 362 Cb 0.49 -2.75 -0.11 0.00 -0.00 0.00 0.00 29.99 27.63 3dm6 n HIS 362 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3dm6 s ASP 363 N 6.08 5.34 0.56 0.41 3.68 -1.25 -5.03 116.67 126.45 3dm6 s ASP 363 Ca 0.95 0.01 0.34 0.00 2.13 0.00 0.00 52.55 55.98 3dm6 s ASP 363 Cb -0.45 -1.90 1.51 0.00 -1.45 0.00 0.00 42.92 40.64 3dm6 s ASP 363 CO 0.41 0.18 2.05 1.05 0.13 0.00 0.00 175.17 178.98 3dm6 h GLU 364 N 6.67 0.00 0.00 4.34 4.11 -2.05 -3.23 114.58 124.43 3dm6 h GLU 364 Ca -0.35 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.90 3dm6 h GLU 364 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 3dm6 h GLU 364 CO 0.68 0.04 -1.85 1.19 0.07 0.00 0.00 179.01 179.14 3dm6 n PHE 365 N -3.19 0.00 -4.27 2.06 0.99 -1.26 -5.01 117.46 106.78 3dm6 n PHE 365 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.24 3dm6 n PHE 365 Cb 0.27 -0.57 -0.12 0.00 -1.00 0.00 0.00 39.48 38.06 3dm6 n PHE 365 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3dm6 s ARG 366 N -2.49 1.08 -0.05 -1.08 0.52 -1.22 -5.15 118.95 110.57 3dm6 s ARG 366 Ca -0.06 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 3dm6 s ARG 366 Cb 0.05 -1.12 0.02 0.00 0.52 0.00 0.00 34.95 34.43 3dm6 s ARG 366 CO 0.56 0.23 -0.03 0.99 0.02 0.00 0.00 175.30 177.08 3dm6 s THR 367 N -1.77 0.44 0.25 0.02 2.01 -1.26 -3.87 115.64 111.45 3dm6 s THR 367 Ca 0.09 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 3dm6 s THR 367 Cb -0.07 -0.51 -0.15 0.00 0.01 0.00 0.00 72.50 71.78 3dm6 s THR 367 CO 0.04 0.22 1.06 0.00 -0.69 0.00 0.00 174.62 175.25 3dm6 n ALA 368 N 4.34 -0.44 -3.04 7.40 0.00 -1.26 -4.97 120.51 122.52 3dm6 n ALA 368 Ca -0.21 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 3dm6 n ALA 368 Cb 0.51 -2.02 -0.11 0.00 0.00 0.00 0.00 19.45 17.83 3dm6 n ALA 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dm6 s ALA 369 N -0.74 -0.20 -0.30 0.00 0.00 -1.24 -4.96 121.76 114.34 3dm6 s ALA 369 Ca 0.64 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.47 3dm6 s ALA 369 Cb -0.75 0.05 0.07 0.00 0.00 0.00 0.00 23.12 22.48 3dm6 s ALA 369 CO 0.57 -0.16 -0.03 0.08 0.00 0.00 0.00 175.76 176.22 3dm6 s VAL 370 N -1.05 2.47 0.07 0.00 1.01 -1.26 -0.54 120.40 121.10 3dm6 s VAL 370 Ca -0.11 -1.75 0.08 0.00 0.00 0.00 0.00 61.98 60.20 3dm6 s VAL 370 Cb -0.07 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3dm6 s VAL 370 CO 0.01 -0.21 -0.22 -1.61 0.00 0.00 0.00 175.10 173.07 3dm6 s GLU 371 N 1.10 1.34 0.00 2.72 2.02 -0.19 -4.91 118.70 120.79 3dm6 s GLU 371 Ca -0.03 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 53.89 3dm6 s GLU 371 Cb -0.20 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.48 3dm6 s GLU 371 CO -0.05 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.03 3dm6 n GLY 372 N 1.49 0.57 3.97 -1.39 0.00 -1.26 -1.35 105.19 107.22 3dm6 n GLY 372 Ca -0.18 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 3dm6 n GLY 372 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dm6 s PRO 373 N -2.00 2.05 0.00 1.61 0.04 -1.26 -5.12 135.00 130.33 3dm6 s PRO 373 Ca 0.00 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.19 3dm6 s PRO 373 Cb 0.00 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 3dm6 s PRO 373 CO 0.00 -1.16 -0.01 -0.06 0.04 0.00 0.00 177.00 175.80 3dm6 s PHE 374 N -3.03 0.11 0.07 0.56 0.40 0.96 -4.95 117.98 112.11 3dm6 s PHE 374 Ca 0.62 -0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 56.66 3dm6 s PHE 374 Cb -0.08 -0.08 -0.07 0.00 0.51 0.00 0.00 43.02 43.31 3dm6 s PHE 374 CO 0.42 -0.03 0.54 0.54 0.70 0.00 0.00 175.22 177.39 3dm6 s VAL 375 N -0.29 4.79 0.00 -0.44 0.11 -1.26 -0.46 120.40 122.85 3dm6 s VAL 375 Ca -0.03 1.12 0.00 0.00 -2.93 0.00 0.00 61.98 60.15 3dm6 s VAL 375 Cb -0.02 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 3dm6 s VAL 375 CO -0.00 0.52 0.00 0.35 -3.33 0.00 0.00 175.10 172.64 3dm6 n THR 376 N 1.63 0.00 0.00 5.04 -2.24 -0.97 -4.97 114.28 112.76 3dm6 n THR 376 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3dm6 n THR 376 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3dm6 n THR 376 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dm6 n GLY 383 N 0.00 -3.34 3.08 0.00 0.00 -1.26 -4.21 105.19 99.46 3dm6 n GLY 383 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3dm6 n GLY 383 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dm6 s TYR 384 N -1.85 -1.44 -1.30 1.61 5.04 -1.26 -4.79 117.35 113.37 3dm6 s TYR 384 Ca 0.46 1.31 0.10 0.00 -2.44 0.00 0.00 57.07 56.50 3dm6 s TYR 384 Cb -0.08 0.35 0.08 0.00 0.35 0.00 0.00 41.96 42.66 3dm6 s TYR 384 CO 0.39 -0.89 0.83 0.09 -1.34 0.00 0.00 175.55 174.63