#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 -0.31 0.66 0.99 -1.26 -4.72 117.46 112.82 3dm6 n PHE 47 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.48 3dm6 n PHE 47 Cb 0.00 0.00 0.18 0.00 -1.00 0.00 0.00 39.48 38.66 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 0.93 -0.43 -4.37 -1.51 -2.01 0.85 116.25 109.70 3dm6 h VAL 48 Ca 0.00 -0.29 0.12 0.00 -1.23 0.00 0.00 66.70 65.30 3dm6 h VAL 48 Cb 0.00 -0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.14 3dm6 h VAL 48 CO 0.00 0.16 0.39 -0.33 -1.23 0.00 0.00 177.57 176.56 3dm6 h GLU 1 N 0.85 0.00 0.00 5.19 5.08 -1.94 -2.70 114.58 121.06 3dm6 h GLU 1 Ca 0.41 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.55 3dm6 h GLU 1 Cb 0.36 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3dm6 h GLU 1 CO -0.24 0.00 -2.12 -1.33 -1.00 0.00 0.00 179.01 174.32 3dm6 n MET 2 N -3.96 0.67 -1.76 2.33 2.81 0.12 -4.72 117.12 112.61 3dm6 n MET 2 Ca 0.08 -0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.52 3dm6 n MET 2 Cb 0.58 -1.56 -0.01 0.00 -0.71 0.00 0.00 33.22 31.52 3dm6 n MET 2 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3dm6 n VAL 3 N -2.62 1.39 -2.25 2.03 0.31 -0.19 -2.00 118.33 115.01 3dm6 n VAL 3 Ca -0.20 -0.35 -0.15 0.00 -0.01 0.00 0.00 64.34 63.63 3dm6 n VAL 3 Cb 0.93 -1.96 -0.01 0.00 -0.91 0.00 0.00 33.84 31.88 3dm6 n VAL 3 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3dm6 n ASP 4 N 1.52 -4.46 -0.39 4.52 8.00 -1.23 -4.95 116.55 119.56 3dm6 n ASP 4 Ca 0.06 -0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.63 3dm6 n ASP 4 Cb 0.37 -3.60 0.29 0.00 -0.02 0.00 0.00 41.12 38.16 3dm6 n ASP 4 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3dm6 n ASN 5 N -0.79 1.16 -4.16 -2.24 6.94 -0.85 -4.81 115.26 110.52 3dm6 n ASN 5 Ca -0.17 -1.78 -0.31 0.00 -0.02 0.00 0.00 54.58 52.29 3dm6 n ASN 5 Cb 0.63 -0.11 -0.17 0.00 -2.36 0.00 0.00 39.78 37.77 3dm6 n ASN 5 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3dm6 s LEU 6 N -1.32 2.03 0.42 -4.53 1.43 -0.45 -4.32 118.68 111.93 3dm6 s LEU 6 Ca 0.24 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 3dm6 s LEU 6 Cb 0.12 -1.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.93 3dm6 s LEU 6 CO 0.18 0.09 0.14 -0.13 0.23 0.00 0.00 176.35 176.87 3dm6 s ARG 7 N 0.70 2.16 0.00 1.70 0.52 -0.88 -1.24 118.95 121.91 3dm6 s ARG 7 Ca -0.11 -1.93 0.00 0.00 -0.52 0.00 0.00 55.73 53.17 3dm6 s ARG 7 Cb -0.16 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.42 3dm6 s ARG 7 CO 0.02 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.62 3dm6 n GLY 8 N -1.19 0.41 3.78 -3.53 0.00 -0.17 -1.06 105.19 103.43 3dm6 n GLY 8 Ca -0.03 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 3dm6 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dm6 s LYS 9 N -2.00 3.55 -0.35 1.61 -0.14 -1.26 0.23 119.74 121.38 3dm6 s LYS 9 Ca 0.00 -0.23 -0.44 0.00 -1.36 0.00 0.00 55.97 53.94 3dm6 s LYS 9 Cb 0.00 -3.15 -0.19 0.00 -1.68 0.00 0.00 37.83 32.81 3dm6 s LYS 9 CO 0.00 0.61 1.40 0.45 -0.76 0.00 0.00 175.35 177.05 3dm6 n SER 10 N 2.49 0.83 0.00 2.83 2.88 -1.26 -0.60 113.62 120.79 3dm6 n SER 10 Ca -0.19 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 3dm6 n SER 10 Cb 0.54 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 3.18 0.67 0.05 0.46 0.00 -1.26 -4.88 105.19 103.40 3dm6 n GLY 11 Ca 0.27 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.66 -0.31 0.00 1.61 6.02 0.23 -5.05 117.38 117.23 3dm6 n GLN 12 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 3dm6 n GLN 12 Cb 0.00 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 0.00 2.63 3.77 1.08 0.00 -1.26 -4.89 105.19 106.52 3dm6 n GLY 13 Ca 0.01 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.50 3.64 0.16 1.61 1.51 -1.26 -4.37 117.35 117.14 3dm6 s TYR 14 Ca 0.00 1.04 0.06 0.00 -1.01 0.00 0.00 57.07 57.16 3dm6 s TYR 14 Cb 0.00 -2.51 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 3dm6 s TYR 14 CO 0.00 0.37 -0.14 1.52 -1.11 0.00 0.00 175.55 176.19 3dm6 s TYR 15 N -0.15 1.51 0.15 2.71 -0.85 -0.22 -1.12 117.35 119.39 3dm6 s TYR 15 Ca 0.27 -0.60 0.11 0.00 -0.52 0.00 0.00 57.07 56.33 3dm6 s TYR 15 Cb -0.17 -0.75 -0.04 0.00 0.38 0.00 0.00 41.96 41.38 3dm6 s TYR 15 CO 0.14 0.22 -0.25 0.54 -1.52 0.00 0.00 175.55 174.68 3dm6 s VAL 16 N -2.68 2.24 0.32 -3.49 0.11 -0.26 -2.07 120.40 114.57 3dm6 s VAL 16 Ca 0.16 -1.86 -0.27 0.00 -2.93 0.00 0.00 61.98 57.08 3dm6 s VAL 16 Cb -0.02 -2.01 -0.10 0.00 -1.53 0.00 0.00 36.38 32.72 3dm6 s VAL 16 CO 0.04 -0.02 0.98 -0.70 -3.33 0.00 0.00 175.10 172.07 3dm6 s GLU 17 N -2.33 4.55 0.20 1.54 2.12 -1.26 -0.42 118.70 123.11 3dm6 s GLU 17 Ca 0.16 1.43 -0.09 0.00 0.36 0.00 0.00 54.97 56.83 3dm6 s GLU 17 Cb -0.09 -2.86 -0.01 0.00 0.26 0.00 0.00 34.13 31.43 3dm6 s GLU 17 CO 0.07 0.23 0.34 -1.64 -0.54 0.00 0.00 175.26 173.72 3dm6 s MET 18 N -1.95 1.32 -0.03 4.30 -1.94 0.19 -4.37 119.30 116.82 3dm6 s MET 18 Ca 0.50 -1.28 0.02 0.00 -1.71 0.00 0.00 55.69 53.22 3dm6 s MET 18 Cb -0.22 0.40 0.01 0.00 2.01 0.00 0.00 34.83 37.03 3dm6 s MET 18 CO 0.27 -0.51 -0.07 0.95 -0.01 0.00 0.00 175.02 175.65 3dm6 s THR 19 N -4.02 0.68 0.01 2.05 -4.23 -0.51 -0.53 115.64 109.10 3dm6 s THR 19 Ca 0.23 -0.27 0.07 0.00 -1.18 0.00 0.00 61.69 60.54 3dm6 s THR 19 Cb 0.02 -0.64 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 3dm6 s THR 19 CO 0.06 0.23 -0.22 0.68 -0.54 0.00 0.00 174.62 174.83 3dm6 s VAL 20 N 0.46 1.72 0.00 2.29 -7.23 -0.78 -1.94 120.40 114.93 3dm6 s VAL 20 Ca -0.07 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 3dm6 s VAL 20 Cb -0.11 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.38 3dm6 s VAL 20 CO 0.01 0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 3dm6 n GLY 21 N 2.26 -1.60 2.99 2.32 0.00 -0.50 -1.13 105.19 109.54 3dm6 n GLY 21 Ca -0.16 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 -4.17 2.90 0.96 1.61 0.01 -1.26 -2.72 113.70 111.03 3dm6 s SER 22 Ca 0.00 -0.62 -0.11 0.00 1.31 0.00 0.00 55.95 56.53 3dm6 s SER 22 Cb 0.00 -1.15 0.17 0.00 0.21 0.00 0.00 66.02 65.25 3dm6 s SER 22 CO 0.00 -0.10 1.12 -2.16 0.41 0.00 0.00 173.24 172.51 3dm6 s PRO 23 N 1.49 0.67 0.24 12.44 0.04 -1.26 -2.00 135.00 146.61 3dm6 s PRO 23 Ca 0.02 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 3dm6 s PRO 23 Cb -0.14 -1.70 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 3dm6 s PRO 23 CO -0.09 -2.82 1.53 -1.25 0.04 0.00 0.00 177.00 174.40 3dm6 s PRO 24 N -4.62 4.21 -0.23 0.56 0.04 -1.10 -4.92 135.00 128.93 3dm6 s PRO 24 Ca 0.67 2.40 -0.05 0.00 0.04 0.00 0.00 61.00 64.06 3dm6 s PRO 24 Cb -0.23 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 3dm6 s PRO 24 CO 0.59 -0.54 -0.00 -0.65 0.04 0.00 0.00 177.00 176.44 3dm6 s GLN 25 N 0.06 3.49 -0.10 4.56 -0.21 -0.28 -4.92 119.66 122.26 3dm6 s GLN 25 Ca 0.64 -0.57 -0.27 0.00 0.02 0.00 0.00 55.36 55.18 3dm6 s GLN 25 Cb -0.44 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.42 3dm6 s GLN 25 CO 0.41 -0.19 0.90 0.99 -2.12 0.00 0.00 175.29 175.28 3dm6 s THR 26 N 1.52 4.87 0.02 -0.19 2.01 -1.26 -1.86 115.64 120.75 3dm6 s THR 26 Ca 0.06 1.83 0.01 0.00 0.31 0.00 0.00 61.69 63.90 3dm6 s THR 26 Cb -0.15 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 3dm6 s THR 26 CO -0.01 0.08 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.21 3dm6 s LEU 27 N 1.66 2.16 -0.17 4.42 1.43 0.31 -4.96 118.68 123.53 3dm6 s LEU 27 Ca 0.44 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 53.00 3dm6 s LEU 27 Cb -0.18 -0.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 3dm6 s LEU 27 CO 0.18 -0.16 0.57 0.20 0.23 0.00 0.00 176.35 177.38 3dm6 s ASN 28 N -0.98 6.68 -0.14 2.29 0.02 -1.26 -0.63 114.94 120.91 3dm6 s ASN 28 Ca -0.08 0.81 0.01 0.00 -1.02 0.00 0.00 52.86 52.58 3dm6 s ASN 28 Cb -0.07 -2.33 0.02 0.00 0.02 0.00 0.00 41.25 38.89 3dm6 s ASN 28 CO -0.00 -0.18 -0.16 -0.63 0.02 0.00 0.00 177.10 176.14 3dm6 s ILE 29 N 1.49 1.67 0.17 0.60 -1.09 0.43 -0.03 121.20 124.44 3dm6 s ILE 29 Ca 0.28 -0.72 -0.31 0.00 -2.23 0.00 0.00 60.65 57.67 3dm6 s ILE 29 Cb -0.16 -1.53 -0.09 0.00 -1.58 0.00 0.00 42.46 39.10 3dm6 s ILE 29 CO 0.11 0.47 1.42 -0.22 -1.23 0.00 0.00 174.94 175.49 3dm6 s LEU 30 N 1.20 4.38 -0.38 2.97 2.96 0.11 -1.10 118.68 128.82 3dm6 s LEU 30 Ca -0.01 2.47 -0.24 0.00 -0.22 0.00 0.00 54.13 56.14 3dm6 s LEU 30 Cb -0.14 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.96 3dm6 s LEU 30 CO -0.07 -0.67 0.83 -0.69 -1.32 0.00 0.00 176.35 174.43 3dm6 s VAL 31 N 0.68 4.67 -0.23 1.68 1.01 -0.27 0.64 120.40 128.57 3dm6 s VAL 31 Ca 0.63 0.88 -0.00 0.00 0.00 0.00 0.00 61.98 63.48 3dm6 s VAL 31 Cb -0.39 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 31.78 3dm6 s VAL 31 CO 0.35 -0.53 -0.00 -0.62 0.00 0.00 0.00 175.10 174.29 3dm6 s ASP 32 N 1.93 3.61 0.00 3.32 2.15 0.10 -3.88 116.67 123.90 3dm6 s ASP 32 Ca 0.33 -1.15 0.27 0.00 0.43 0.00 0.00 52.55 52.43 3dm6 s ASP 32 Cb -0.12 -0.97 0.83 0.00 -0.30 0.00 0.00 42.92 42.35 3dm6 s ASP 32 CO 0.19 -0.28 1.64 0.35 -0.17 0.00 0.00 175.17 176.89 3dm6 n THR 33 N 4.80 0.00 -0.01 1.71 -2.24 -1.26 -0.51 114.28 116.77 3dm6 n THR 33 Ca -0.09 -0.01 0.06 0.00 -2.27 0.00 0.00 64.05 61.73 3dm6 n THR 33 Cb 0.45 -0.02 0.25 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.47 2.06 1.29 3.38 0.00 -1.26 -4.07 105.19 108.06 3dm6 n GLY 34 Ca 0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 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 0.60 -0.68 0.00 1.61 3.41 -1.23 -5.01 113.62 112.32 3dm6 n SER 35 Ca 0.18 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 3dm6 n SER 35 Cb 0.71 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 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 -1.51 0.00 -4.79 4.04 7.64 -1.26 0.42 113.62 118.16 3dm6 n SER 36 Ca -0.02 -1.00 -0.36 0.00 1.01 0.00 0.00 58.87 58.50 3dm6 n SER 36 Cb 0.21 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 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 6.05 -0.16 6.43 -0.87 -1.26 -4.55 114.94 120.57 3dm6 s ASN 37 Ca 0.00 0.33 -0.18 0.00 -1.57 0.00 0.00 52.86 51.43 3dm6 s ASN 37 Cb 0.00 -1.94 -0.04 0.00 -0.02 0.00 0.00 41.25 39.25 3dm6 s ASN 37 CO 0.00 0.35 0.50 0.12 -2.57 0.00 0.00 177.10 175.49 3dm6 s PHE 38 N -0.65 3.43 -0.20 2.20 5.99 -1.26 -1.99 117.98 125.50 3dm6 s PHE 38 Ca 0.12 0.82 -0.17 0.00 0.00 0.00 0.00 56.93 57.70 3dm6 s PHE 38 Cb -0.12 -2.62 0.05 0.00 0.00 0.00 0.00 43.02 40.34 3dm6 s PHE 38 CO 0.02 0.02 0.53 0.00 -0.00 0.00 0.00 175.22 175.78 3dm6 s ALA 39 N 1.19 -1.31 0.02 11.12 0.00 -0.50 -1.78 121.76 130.49 3dm6 s ALA 39 Ca 0.25 1.56 0.03 0.00 0.00 0.00 0.00 51.96 53.80 3dm6 s ALA 39 Cb -0.15 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 3dm6 s ALA 39 CO 0.10 -0.26 -0.10 0.14 0.00 0.00 0.00 175.76 175.64 3dm6 s VAL 40 N 0.52 0.77 0.12 0.00 -7.23 -0.72 0.26 120.40 114.13 3dm6 s VAL 40 Ca -0.02 -0.69 -0.35 0.00 -1.81 0.00 0.00 61.98 59.11 3dm6 s VAL 40 Cb -0.04 -0.70 -0.15 0.00 0.56 0.00 0.00 36.38 36.04 3dm6 s VAL 40 CO -0.02 0.02 1.46 0.61 -0.31 0.00 0.00 175.10 176.86 3dm6 n GLY 41 N 2.31 0.81 1.13 2.32 0.00 -0.35 0.14 105.19 111.54 3dm6 n GLY 41 Ca -0.17 0.68 0.04 0.00 0.00 0.00 0.00 46.02 46.57 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 3.00 3.04 -3.61 4.61 0.00 0.36 -1.45 120.51 126.47 3dm6 n ALA 42 Ca 0.18 -2.84 -0.08 0.00 0.00 0.00 0.00 53.44 50.70 3dm6 n ALA 42 Cb 0.24 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.70 -2.01 0.88 0.00 0.00 -1.24 -4.84 121.76 112.85 3dm6 s ALA 43 Ca 0.36 1.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.90 3dm6 s ALA 43 Cb 0.38 -1.08 0.07 0.00 0.00 0.00 0.00 23.12 22.49 3dm6 s ALA 43 CO -0.11 -0.27 0.81 -0.35 0.00 0.00 0.00 175.76 175.84 3dm6 n PRO 44 N 0.86 -0.16 -3.63 0.00 -0.04 -1.26 -4.98 135.00 125.79 3dm6 n PRO 44 Ca -0.08 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.29 3dm6 n PRO 44 Cb 0.58 -2.14 -0.07 0.00 -0.04 0.00 0.00 33.50 31.83 3dm6 n PRO 44 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3dm6 s HIS 45 N -2.34 -0.59 0.53 0.54 2.46 -1.26 -5.02 115.29 109.62 3dm6 s HIS 45 Ca 0.65 1.43 0.38 0.00 0.47 0.00 0.00 55.06 57.99 3dm6 s HIS 45 Cb -0.25 0.33 1.56 0.00 -0.13 0.00 0.00 32.58 34.09 3dm6 s HIS 45 CO 0.60 -0.29 1.74 -1.00 -2.47 0.00 0.00 174.74 173.32 3dm6 h PRO 46 N 4.46 0.03 0.00 2.88 0.13 -2.04 -2.09 132.00 135.37 3dm6 h PRO 46 Ca -0.28 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3dm6 h PRO 46 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3dm6 h PRO 46 CO 0.09 0.02 -1.27 1.19 -0.23 0.00 0.00 178.00 177.80 3dm6 n PHE 47 N -4.18 0.00 -2.90 1.56 0.99 -1.26 -4.90 117.46 106.77 3dm6 n PHE 47 Ca 0.31 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.34 3dm6 n PHE 47 Cb 1.42 -0.16 -0.04 0.00 -1.00 0.00 0.00 39.48 39.70 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 -3.43 4.07 0.03 4.37 1.43 -0.79 -4.77 118.68 119.59 3dm6 s LEU 48 Ca 0.03 0.73 0.28 0.00 -1.03 0.00 0.00 54.13 54.13 3dm6 s LEU 48 Cb 0.14 -3.15 0.98 0.00 0.03 0.00 0.00 46.19 44.20 3dm6 s LEU 48 CO 0.83 -0.65 1.77 1.41 0.23 0.00 0.00 176.35 179.94 3dm6 n HIS 49 N 6.29 0.12 -3.71 0.29 8.25 -1.26 -4.57 115.22 120.63 3dm6 n HIS 49 Ca 0.05 0.04 -0.08 0.00 -0.26 0.00 0.00 57.72 57.46 3dm6 n HIS 49 Cb 0.48 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 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 -3.02 1.54 0.29 -0.41 1.70 -1.26 -5.18 118.95 112.62 3dm6 s ARG 50 Ca 0.13 -0.78 -0.19 0.00 -0.47 0.00 0.00 55.73 54.41 3dm6 s ARG 50 Cb 0.18 0.57 0.05 0.00 -0.57 0.00 0.00 34.95 35.18 3dm6 s ARG 50 CO 0.59 -0.70 0.84 1.52 -1.08 0.00 0.00 175.30 176.47 3dm6 s TYR 51 N -3.77 -0.00 -0.02 5.89 -0.85 -1.26 -4.94 117.35 112.40 3dm6 s TYR 51 Ca 0.08 -0.52 -0.30 0.00 -0.52 0.00 0.00 57.07 55.81 3dm6 s TYR 51 Cb -0.04 0.76 -0.03 0.00 0.38 0.00 0.00 41.96 43.02 3dm6 s TYR 51 CO 0.00 -1.27 1.06 -0.47 -1.52 0.00 0.00 175.55 173.35 3dm6 s TYR 52 N -2.83 3.53 -0.35 -3.49 5.04 -0.53 -4.99 117.35 113.72 3dm6 s TYR 52 Ca 0.15 1.54 0.03 0.00 -2.44 0.00 0.00 57.07 56.35 3dm6 s TYR 52 Cb -0.04 -3.23 0.10 0.00 0.35 0.00 0.00 41.96 39.14 3dm6 s TYR 52 CO 0.08 -0.48 0.08 -0.65 -1.34 0.00 0.00 175.55 173.24 3dm6 s GLN 53 N 1.37 1.39 0.21 4.97 -0.21 -1.26 -4.30 119.66 121.82 3dm6 s GLN 53 Ca 0.53 -1.81 -0.10 0.00 0.02 0.00 0.00 55.36 54.00 3dm6 s GLN 53 Cb -0.23 -3.01 0.15 0.00 1.00 0.00 0.00 33.01 30.92 3dm6 s GLN 53 CO 0.25 -0.96 1.84 0.00 -2.12 0.00 0.00 175.29 174.30 3dm6 h ARG 54 N 7.59 1.02 -0.56 2.91 3.08 -1.95 -2.61 114.38 123.86 3dm6 h ARG 54 Ca -0.06 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 59.99 3dm6 h ARG 54 Cb 1.01 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 3dm6 h ARG 54 CO 0.52 0.73 0.38 -0.56 -1.07 0.00 0.00 179.97 179.97 3dm6 h GLN 55 N 1.02 0.36 -1.02 0.04 -0.00 -1.99 -0.56 115.11 112.97 3dm6 h GLN 55 Ca 0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.90 3dm6 h GLN 55 Cb -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.38 3dm6 h GLN 55 CO -0.05 0.24 0.00 1.28 -0.00 0.00 0.00 178.83 180.30 3dm6 n LEU 56 N -4.47 2.46 -3.78 0.06 4.77 -0.98 -4.68 117.00 110.39 3dm6 n LEU 56 Ca 0.09 -1.23 -0.26 0.00 -0.03 0.00 0.00 56.01 54.58 3dm6 n LEU 56 Cb 0.36 -0.48 -0.17 0.00 -2.33 0.00 0.00 43.42 40.80 3dm6 n LEU 56 CO 0.34 0.43 -0.38 -0.55 -1.33 0.00 0.00 177.39 175.90 3dm6 s SER 57 N 0.77 2.48 0.00 -1.43 0.15 -0.22 -4.25 113.70 111.20 3dm6 s SER 57 Ca 0.00 -0.56 0.18 0.00 0.70 0.00 0.00 55.95 56.28 3dm6 s SER 57 Cb 0.00 -0.61 1.07 0.00 -1.71 0.00 0.00 66.02 64.77 3dm6 s SER 57 CO 0.00 -0.25 1.51 -1.54 1.20 0.00 0.00 173.24 174.16 3dm6 n SER 58 N 5.05 0.00 -0.07 5.45 3.41 -0.85 -3.04 113.62 123.57 3dm6 n SER 58 Ca -0.09 -0.47 0.02 0.00 -0.26 0.00 0.00 58.87 58.07 3dm6 n SER 58 Cb 0.48 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.05 0.00 -2.18 6.66 -2.24 -1.26 -5.02 114.28 109.19 3dm6 n THR 59 Ca 0.13 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3dm6 n THR 59 Cb 0.08 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 3dm6 n THR 59 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dm6 s TYR 60 N -1.12 2.61 -0.51 4.78 5.04 -1.17 -4.65 117.35 122.33 3dm6 s TYR 60 Ca 0.03 0.66 0.01 0.00 -2.44 0.00 0.00 57.07 55.33 3dm6 s TYR 60 Cb 0.04 -3.72 0.13 0.00 0.35 0.00 0.00 41.96 38.76 3dm6 s TYR 60 CO 0.15 -2.78 0.28 1.03 -1.34 0.00 0.00 175.55 172.90 3dm6 s ARG 61 N 2.95 2.11 -0.08 4.97 0.52 -1.11 -5.02 118.95 123.29 3dm6 s ARG 61 Ca 0.66 -2.37 -0.38 0.00 -0.52 0.00 0.00 55.73 53.11 3dm6 s ARG 61 Cb -0.31 -3.48 -0.16 0.00 0.52 0.00 0.00 34.95 31.51 3dm6 s ARG 61 CO 0.26 -1.10 1.52 -3.47 0.02 0.00 0.00 175.30 172.53 3dm6 n ASP 62 N 3.61 1.96 -0.12 0.23 -0.08 -1.26 -2.48 116.55 118.42 3dm6 n ASP 62 Ca 0.05 1.10 0.12 0.00 -1.51 0.00 0.00 54.79 54.55 3dm6 n ASP 62 Cb 0.37 -1.17 0.26 0.00 2.34 0.00 0.00 41.12 42.92 3dm6 n ASP 62 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3dm6 n LEU 63 N 3.80 0.80 0.00 -2.67 4.77 -0.92 -4.94 117.00 117.84 3dm6 n LEU 63 Ca 0.22 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3dm6 n LEU 63 Cb 0.16 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3dm6 n LEU 63 CO 0.71 0.17 0.00 0.54 -1.33 0.00 0.00 177.39 177.48 3dm6 n ARG 64 N -1.11 0.00 -3.66 3.23 1.74 -1.25 -4.99 116.66 110.62 3dm6 n ARG 64 Ca 0.08 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.87 3dm6 n ARG 64 Cb 0.35 -2.32 -0.04 0.00 -1.02 0.00 0.00 32.46 29.43 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 -0.05 3.57 0.45 5.56 2.47 -1.26 -4.99 119.74 125.49 3dm6 s LYS 65 Ca 0.00 -0.21 0.05 0.00 -1.56 0.00 0.00 55.97 54.25 3dm6 s LYS 65 Cb 0.00 -2.83 0.01 0.00 -1.46 0.00 0.00 37.83 33.56 3dm6 s LYS 65 CO 0.00 0.41 0.63 0.20 0.16 0.00 0.00 175.35 176.75 3dm6 s GLY 66 N -2.86 1.85 -0.21 5.54 0.00 -1.26 -1.29 107.32 109.09 3dm6 s GLY 66 Ca 0.40 -1.51 -0.19 0.00 0.00 0.00 0.00 44.72 43.42 3dm6 s GLY 66 CO 0.27 -1.31 0.55 0.54 0.00 0.00 0.00 173.10 173.16 3dm6 s VAL 67 N -2.46 -0.00 -0.06 1.40 0.11 0.35 -4.77 120.40 114.96 3dm6 s VAL 67 Ca 0.54 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.63 3dm6 s VAL 67 Cb -0.10 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 3dm6 s VAL 67 CO 0.35 0.00 -0.17 -0.47 -3.33 0.00 0.00 175.10 171.48 3dm6 s TYR 68 N 0.30 1.78 -0.16 1.54 5.04 -1.26 0.02 117.35 124.61 3dm6 s TYR 68 Ca -0.00 -0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 54.00 3dm6 s TYR 68 Cb -0.04 -1.23 0.04 0.00 0.35 0.00 0.00 41.96 41.08 3dm6 s TYR 68 CO 0.01 -0.26 -0.03 0.08 -1.34 0.00 0.00 175.55 174.01 3dm6 s VAL 69 N 0.34 0.93 -0.19 3.14 1.01 0.22 -4.84 120.40 121.02 3dm6 s VAL 69 Ca -0.11 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3dm6 s VAL 69 Cb -0.14 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3dm6 s VAL 69 CO 0.04 0.10 0.37 -2.16 0.00 0.00 0.00 175.10 173.45 3dm6 s PRO 70 N 1.71 4.20 0.48 2.72 0.04 -1.26 -1.90 135.00 140.98 3dm6 s PRO 70 Ca 0.01 0.17 0.07 0.00 0.04 0.00 0.00 61.00 61.30 3dm6 s PRO 70 Cb -0.15 -3.51 0.02 0.00 0.04 0.00 0.00 34.50 30.90 3dm6 s PRO 70 CO -0.07 0.04 0.47 0.71 0.04 0.00 0.00 177.00 178.18 3dm6 s TYR 71 N 1.08 2.22 0.15 0.56 2.02 -0.21 -5.01 117.35 118.15 3dm6 s TYR 71 Ca 0.18 -0.61 -0.21 0.00 -0.37 0.00 0.00 57.07 56.06 3dm6 s TYR 71 Cb -0.14 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.32 3dm6 s TYR 71 CO 0.07 -0.42 1.65 1.15 -1.57 0.00 0.00 175.55 176.43 3dm6 h THR 72 N 0.78 0.47 0.00 -0.71 2.02 -2.00 -3.38 112.91 110.09 3dm6 h THR 72 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3dm6 h THR 72 Cb 1.28 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3dm6 h THR 72 CO 0.53 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.42 3dm6 n GLN 73 N -5.35 0.00 -0.19 6.66 1.13 -1.26 -5.02 117.38 113.36 3dm6 n GLN 73 Ca -0.01 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 3dm6 n GLN 73 Cb 0.26 -0.81 0.00 0.00 0.11 0.00 0.00 30.24 29.80 3dm6 n GLN 73 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dm6 n GLY 74 N 1.43 6.56 3.37 1.08 0.00 -1.24 -4.94 105.19 111.45 3dm6 n GLY 74 Ca 0.00 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 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 1.00 1.04 0.16 1.61 -2.85 -0.03 -1.04 119.74 119.62 3dm6 s LYS 75 Ca 0.00 -0.36 -0.14 0.00 -1.00 0.00 0.00 55.97 54.48 3dm6 s LYS 75 Cb 0.00 0.47 0.01 0.00 -2.06 0.00 0.00 37.83 36.25 3dm6 s LYS 75 CO 0.00 -0.38 0.39 1.67 0.10 0.00 0.00 175.35 177.13 3dm6 s TRP 76 N -2.78 0.06 0.20 1.78 1.48 -0.80 0.04 118.94 118.92 3dm6 s TRP 76 Ca -0.03 -0.41 0.02 0.00 -1.06 0.00 0.00 56.10 54.61 3dm6 s TRP 76 Cb -0.00 0.18 -0.05 0.00 -1.16 0.00 0.00 33.47 32.44 3dm6 s TRP 76 CO -0.04 -0.78 0.02 -1.83 -4.06 0.00 0.00 176.95 170.26 3dm6 s GLU 77 N -3.89 1.22 0.00 3.25 -1.05 -0.85 0.72 118.70 118.09 3dm6 s GLU 77 Ca 0.10 -1.61 0.00 0.00 -0.15 0.00 0.00 54.97 53.31 3dm6 s GLU 77 Cb 0.01 -0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.38 3dm6 s GLU 77 CO -0.04 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.42 3dm6 n GLY 78 N -0.32 -0.62 3.42 -3.83 0.00 0.10 -2.69 105.19 101.25 3dm6 n GLY 78 Ca -0.05 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.52 3.52 0.34 1.61 2.02 -0.00 -0.49 118.70 125.18 3dm6 s GLU 79 Ca 0.00 -0.60 -0.19 0.00 0.02 0.00 0.00 54.97 54.20 3dm6 s GLU 79 Cb 0.00 -2.84 -0.10 0.00 0.10 0.00 0.00 34.13 31.30 3dm6 s GLU 79 CO 0.00 0.15 0.84 -0.51 0.02 0.00 0.00 175.26 175.76 3dm6 s LEU 80 N 0.57 4.11 0.06 1.80 1.43 -0.41 0.39 118.68 126.64 3dm6 s LEU 80 Ca -0.05 1.52 -0.27 0.00 -1.03 0.00 0.00 54.13 54.31 3dm6 s LEU 80 Cb -0.15 -4.15 0.09 0.00 0.03 0.00 0.00 46.19 42.02 3dm6 s LEU 80 CO 0.03 -0.20 1.17 -0.83 0.23 0.00 0.00 176.35 176.74 3dm6 s GLY 81 N -2.05 -0.20 0.36 -3.19 0.00 -0.25 -2.16 107.32 99.83 3dm6 s GLY 81 Ca 0.54 0.21 0.09 0.00 0.00 0.00 0.00 44.72 45.57 3dm6 s GLY 81 CO 0.17 1.71 -0.05 -0.51 0.00 0.00 0.00 173.10 174.42 3dm6 s THR 82 N -2.46 2.28 0.10 0.90 -4.23 -1.03 0.11 115.64 111.30 3dm6 s THR 82 Ca 0.19 -2.11 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 3dm6 s THR 82 Cb 0.01 -2.75 0.05 0.00 1.34 0.00 0.00 72.50 71.15 3dm6 s THR 82 CO 0.00 -0.16 0.63 -0.67 -0.54 0.00 0.00 174.62 173.88 3dm6 n ASP 83 N -0.87 -1.02 -4.78 3.99 -0.08 -0.79 -2.76 116.55 110.24 3dm6 n ASP 83 Ca -0.05 -1.51 -0.36 0.00 -1.51 0.00 0.00 54.79 51.36 3dm6 n ASP 83 Cb 0.64 1.65 -0.07 0.00 2.34 0.00 0.00 41.12 45.67 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 4.27 -0.02 -2.67 1.43 -1.26 -1.06 118.68 119.37 3dm6 s LEU 84 Ca 0.14 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 3dm6 s LEU 84 Cb -0.02 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.07 3dm6 s LEU 84 CO 0.03 0.24 -0.05 -0.69 0.23 0.00 0.00 176.35 176.11 3dm6 s VAL 85 N -0.06 0.46 0.09 -1.59 1.01 0.99 -1.41 120.40 119.89 3dm6 s VAL 85 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 3dm6 s VAL 85 Cb -0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 3dm6 s VAL 85 CO 0.01 0.16 0.07 -0.94 0.00 0.00 0.00 175.10 174.40 3dm6 s SER 86 N 0.27 0.33 -0.33 3.32 1.04 -0.82 -0.29 113.70 117.22 3dm6 s SER 86 Ca -0.03 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.46 3dm6 s SER 86 Cb -0.07 0.28 0.09 0.00 0.10 0.00 0.00 66.02 66.42 3dm6 s SER 86 CO -0.00 -0.69 0.03 -0.63 0.98 0.00 0.00 173.24 172.93 3dm6 s ILE 87 N -3.95 2.11 0.14 -1.02 1.01 -1.26 -1.42 121.20 116.81 3dm6 s ILE 87 Ca 0.12 -2.14 -0.27 0.00 0.00 0.00 0.00 60.65 58.36 3dm6 s ILE 87 Cb 0.07 -2.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 3dm6 s ILE 87 CO -0.06 -0.53 1.34 -2.65 0.00 0.00 0.00 174.94 173.04 3dm6 n PRO 88 N 4.34 -0.38 -1.23 2.79 -0.02 -1.26 0.17 135.00 139.41 3dm6 n PRO 88 Ca 0.01 1.32 -0.31 0.00 -2.02 0.00 0.00 63.50 62.50 3dm6 n PRO 88 Cb 0.42 -1.94 0.08 0.00 -0.02 0.00 0.00 33.50 32.04 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 -5.05 2.89 -2.66 6.00 8.25 -1.26 -4.89 115.22 118.50 3dm6 n HIS 89 Ca 0.02 -2.76 0.00 0.00 -0.26 0.00 0.00 57.72 54.72 3dm6 n HIS 89 Cb 0.22 -1.33 0.00 0.00 1.12 0.00 0.00 29.99 30.00 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 -0.68 6.64 3.54 -1.41 0.00 0.13 -4.19 105.19 109.21 3dm6 n GLY 90 Ca 0.56 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 3dm6 n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dm6 n PRO 91 N 0.00 -1.16 -2.51 1.61 -0.04 -1.26 -4.21 135.00 127.43 3dm6 n PRO 91 Ca 0.00 -0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 62.75 3dm6 n PRO 91 Cb 0.00 -2.18 0.01 0.00 -0.04 0.00 0.00 33.50 31.29 3dm6 n PRO 91 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3dm6 n ASN 92 N -3.84 6.62 -4.11 3.54 4.05 -1.26 -4.54 115.26 115.72 3dm6 n ASN 92 Ca 0.08 -3.33 -0.10 0.00 0.45 0.00 0.00 54.58 51.68 3dm6 n ASN 92 Cb 0.54 -1.33 -0.09 0.00 1.23 0.00 0.00 39.78 40.13 3dm6 n ASN 92 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 3dm6 s VAL 93 N -1.87 0.09 -0.02 3.44 -7.23 -1.26 -5.16 120.40 108.39 3dm6 s VAL 93 Ca 0.40 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 3dm6 s VAL 93 Cb 0.12 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 35.03 3dm6 s VAL 93 CO -0.01 -0.39 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.45 3dm6 s THR 94 N -4.04 0.37 0.02 5.32 2.01 -1.26 -4.32 115.64 113.74 3dm6 s THR 94 Ca 0.24 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.14 3dm6 s THR 94 Cb 0.07 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 3dm6 s THR 94 CO 0.02 0.14 -0.10 0.68 -0.69 0.00 0.00 174.62 174.67 3dm6 s VAL 95 N 0.31 0.79 -0.04 3.82 -7.23 0.60 -4.91 120.40 113.74 3dm6 s VAL 95 Ca -0.03 -0.74 -0.30 0.00 -1.81 0.00 0.00 61.98 59.10 3dm6 s VAL 95 Cb -0.07 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 3dm6 s VAL 95 CO -0.00 -0.00 0.99 -0.60 -0.31 0.00 0.00 175.10 175.17 3dm6 s ARG 96 N -0.83 4.50 0.05 4.82 3.52 -1.26 -0.01 118.95 129.75 3dm6 s ARG 96 Ca -0.00 1.40 -0.07 0.00 -0.13 0.00 0.00 55.73 56.93 3dm6 s ARG 96 Cb -0.06 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 3dm6 s ARG 96 CO 0.00 -0.15 0.14 0.00 -0.81 0.00 0.00 175.30 174.48 3dm6 s ALA 97 N 1.41 -0.16 0.26 6.12 0.00 -0.23 -4.90 121.76 124.26 3dm6 s ALA 97 Ca 0.50 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 3dm6 s ALA 97 Cb -0.20 0.31 -0.10 0.00 0.00 0.00 0.00 23.12 23.13 3dm6 s ALA 97 CO 0.24 -0.38 1.47 -0.80 0.00 0.00 0.00 175.76 176.29 3dm6 s ASN 98 N -2.32 6.60 -0.04 0.00 0.01 -1.26 -1.89 114.94 116.04 3dm6 s ASN 98 Ca -0.02 2.72 0.03 0.00 -0.71 0.00 0.00 52.86 54.88 3dm6 s ASN 98 Cb 0.01 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3dm6 s ASN 98 CO -0.06 -0.74 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.03 3dm6 s ILE 99 N 0.00 1.09 -0.25 0.60 1.01 0.31 -4.63 121.20 119.32 3dm6 s ILE 99 Ca 0.60 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 3dm6 s ILE 99 Cb -0.43 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 3dm6 s ILE 99 CO 0.44 0.33 0.17 0.00 0.00 0.00 0.00 174.94 175.88 3dm6 s ALA 100 N 0.21 3.58 -0.41 9.38 0.00 -0.73 -1.09 121.76 132.69 3dm6 s ALA 100 Ca -0.05 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 50.71 3dm6 s ALA 100 Cb -0.11 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.65 3dm6 s ALA 100 CO 0.02 -0.32 0.80 0.00 0.00 0.00 0.00 175.76 176.25 3dm6 s ALA 101 N 1.32 3.34 -0.37 0.00 0.00 0.16 -1.75 121.76 124.46 3dm6 s ALA 101 Ca 0.07 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 3dm6 s ALA 101 Cb -0.14 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.55 3dm6 s ALA 101 CO 0.07 -1.75 1.17 0.42 0.00 0.00 0.00 175.76 175.67 3dm6 s ILE 102 N 3.25 4.29 -0.25 0.00 1.01 0.12 -0.82 121.20 128.81 3dm6 s ILE 102 Ca 0.31 1.43 -0.00 0.00 0.00 0.00 0.00 60.65 62.39 3dm6 s ILE 102 Cb -0.12 -4.40 -0.16 0.00 0.01 0.00 0.00 42.46 37.79 3dm6 s ILE 102 CO 0.21 -0.66 -0.24 0.35 0.00 0.00 0.00 174.94 174.60 3dm6 n THR 103 N 6.32 1.43 -4.02 2.92 -2.24 -1.09 -0.49 114.28 117.11 3dm6 n THR 103 Ca 0.13 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 3dm6 n THR 103 Cb 0.48 -1.44 -0.11 0.00 -2.10 0.00 0.00 70.33 67.16 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 -2.50 0.43 0.07 -0.78 -1.05 -1.22 -4.83 118.70 108.81 3dm6 s GLU 104 Ca -0.34 -0.79 -0.06 0.00 -0.15 0.00 0.00 54.97 53.63 3dm6 s GLU 104 Cb 0.09 0.05 -0.01 0.00 -0.44 0.00 0.00 34.13 33.82 3dm6 s GLU 104 CO 0.56 -0.04 0.12 -1.54 0.95 0.00 0.00 175.26 175.31 3dm6 s SER 105 N -1.84 0.22 -0.17 0.83 1.04 -1.26 -2.01 113.70 110.51 3dm6 s SER 105 Ca -0.09 -0.70 -0.04 0.00 0.48 0.00 0.00 55.95 55.59 3dm6 s SER 105 Cb -0.06 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.40 3dm6 s SER 105 CO -0.03 -0.65 0.07 -0.62 0.98 0.00 0.00 173.24 173.00 3dm6 s ASP 106 N -2.71 2.46 -1.41 7.02 2.15 0.11 -4.83 116.67 119.45 3dm6 s ASP 106 Ca 0.03 -0.64 -0.06 0.00 0.43 0.00 0.00 52.55 52.31 3dm6 s ASP 106 Cb 0.04 -0.35 0.04 0.00 -0.30 0.00 0.00 42.92 42.35 3dm6 s ASP 106 CO -0.09 -0.33 0.52 0.29 -0.17 0.00 0.00 175.17 175.39 3dm6 n LYS 107 N 5.21 -4.07 -0.08 4.34 5.02 -1.26 -0.85 118.16 126.47 3dm6 n LYS 107 Ca -0.07 0.70 -0.07 0.00 -2.02 0.00 0.00 58.31 56.85 3dm6 n LYS 107 Cb 0.48 -5.48 -0.02 0.00 -0.02 0.00 0.00 35.03 29.99 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 -4.20 0.41 -2.27 2.13 7.35 -1.26 -3.60 117.46 116.01 3dm6 n PHE 108 Ca -0.07 0.18 -0.37 0.00 -0.76 0.00 0.00 57.45 56.42 3dm6 n PHE 108 Cb 0.59 -0.60 -0.01 0.00 0.35 0.00 0.00 39.48 39.80 3dm6 n PHE 108 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3dm6 s PHE 109 N -2.51 2.95 -0.12 -5.13 0.40 -1.26 -4.94 117.98 107.36 3dm6 s PHE 109 Ca -0.21 1.54 0.01 0.00 -0.60 0.00 0.00 56.93 57.67 3dm6 s PHE 109 Cb 0.03 -3.38 -0.01 0.00 0.51 0.00 0.00 43.02 40.16 3dm6 s PHE 109 CO 0.31 -1.43 -0.15 0.42 0.70 0.00 0.00 175.22 175.07 3dm6 s ILE 110 N -1.50 2.85 0.10 0.64 1.01 -1.26 -5.05 121.20 118.00 3dm6 s ILE 110 Ca 0.61 -0.74 -0.31 0.00 0.00 0.00 0.00 60.65 60.22 3dm6 s ILE 110 Cb -0.29 -2.18 -0.09 0.00 0.01 0.00 0.00 42.46 39.91 3dm6 s ILE 110 CO 0.36 0.53 1.74 0.21 0.00 0.00 0.00 174.94 177.78 3dm6 s ASN 111 N 0.30 6.51 0.00 3.58 2.47 -1.26 -1.82 114.94 124.72 3dm6 s ASN 111 Ca -0.12 2.64 0.00 0.00 0.42 0.00 0.00 52.86 55.80 3dm6 s ASN 111 Cb -0.16 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 3dm6 s ASN 111 CO 0.06 -0.94 0.00 0.61 -3.72 0.00 0.00 177.10 173.11 3dm6 n GLY 112 N 4.10 0.33 0.25 1.21 0.00 -1.26 -4.88 105.19 104.94 3dm6 n GLY 112 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 1.61 4.64 -1.73 -3.47 113.55 114.60 3dm6 h SER 113 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dm6 h SER 113 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3dm6 h SER 113 CO 0.00 0.04 0.00 -3.20 -0.87 0.00 0.00 176.83 172.80 3dm6 n ASN 114 N -3.13 -5.44 -4.81 4.97 5.15 -1.26 -4.59 115.26 106.15 3dm6 n ASN 114 Ca 0.02 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.75 3dm6 n ASN 114 Cb 0.42 -3.22 -0.05 0.00 -0.53 0.00 0.00 39.78 36.39 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 -1.08 3.14 0.00 1.20 1.48 -1.26 -4.71 118.94 117.70 3dm6 s TRP 115 Ca 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 56.10 55.00 3dm6 s TRP 115 Cb 0.00 -1.48 0.00 0.00 -1.16 0.00 0.00 33.47 30.83 3dm6 s TRP 115 CO 0.00 0.52 0.73 0.39 -4.06 0.00 0.00 176.95 174.53 3dm6 n GLU 116 N -0.59 1.46 -2.72 3.25 4.71 0.95 -4.86 120.64 122.84 3dm6 n GLU 116 Ca -0.08 -0.99 -0.03 0.00 -0.01 0.00 0.00 57.16 56.05 3dm6 n GLU 116 Cb 0.56 -0.80 0.01 0.00 -1.01 0.00 0.00 31.44 30.20 3dm6 n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dm6 n GLY 117 N -0.26 1.13 2.85 0.62 0.00 -1.11 -1.21 105.19 107.21 3dm6 n GLY 117 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 3dm6 n GLY 117 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dm6 s ILE 118 N -2.37 -0.01 -0.39 -0.61 2.07 0.14 -0.71 121.20 119.31 3dm6 s ILE 118 Ca 0.11 0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.38 3dm6 s ILE 118 Cb -0.02 -0.03 0.10 0.00 0.13 0.00 0.00 42.46 42.63 3dm6 s ILE 118 CO 0.05 0.02 0.18 -0.22 -1.91 0.00 0.00 174.94 173.06 3dm6 s LEU 119 N 0.26 5.04 -0.34 8.50 2.96 0.21 -1.42 118.68 133.89 3dm6 s LEU 119 Ca -0.02 -1.89 -0.21 0.00 -0.22 0.00 0.00 54.13 51.79 3dm6 s LEU 119 Cb -0.03 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.84 3dm6 s LEU 119 CO -0.01 -0.50 0.66 -0.83 -1.32 0.00 0.00 176.35 174.35 3dm6 s GLY 120 N 1.74 1.74 0.00 7.98 0.00 -0.84 0.01 107.32 117.95 3dm6 s GLY 120 Ca 0.06 -0.77 0.20 0.00 0.00 0.00 0.00 44.72 44.21 3dm6 s GLY 120 CO -0.03 1.53 1.35 1.04 0.00 0.00 0.00 173.10 176.99 3dm6 n LEU 121 N 6.07 3.34 0.00 0.66 4.77 0.33 -4.12 117.00 128.05 3dm6 n LEU 121 Ca -0.00 -1.65 -0.07 0.00 -0.03 0.00 0.00 56.01 54.26 3dm6 n LEU 121 Cb 0.49 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 3dm6 n LEU 121 CO 0.49 0.76 0.20 0.00 -1.33 0.00 0.00 177.39 177.51 3dm6 n ALA 122 N 1.28 -0.19 -1.96 -1.18 0.00 0.17 -4.95 120.51 113.67 3dm6 n ALA 122 Ca 0.18 -0.50 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 3dm6 n ALA 122 Cb 0.55 0.03 0.06 0.00 0.00 0.00 0.00 19.45 20.09 3dm6 n ALA 122 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dm6 s TYR 123 N -1.24 2.98 0.23 0.00 1.51 -0.48 -4.66 117.35 115.69 3dm6 s TYR 123 Ca 0.19 0.45 0.21 0.00 -1.01 0.00 0.00 57.07 56.91 3dm6 s TYR 123 Cb -0.01 -3.07 0.89 0.00 -0.11 0.00 0.00 41.96 39.66 3dm6 s TYR 123 CO 0.13 -1.25 1.83 0.00 -1.11 0.00 0.00 175.55 175.15 3dm6 h ALA 124 N -0.46 1.10 0.00 3.71 0.00 -1.84 -2.80 119.26 118.97 3dm6 h ALA 124 Ca -0.44 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 3dm6 h ALA 124 Cb 1.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dm6 h ALA 124 CO 0.60 0.37 -0.00 1.49 0.00 0.00 0.00 179.25 181.70 3dm6 h GLU 125 N 0.00 0.00 -0.24 0.00 4.81 -1.87 -0.17 114.58 117.11 3dm6 h GLU 125 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dm6 h GLU 125 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3dm6 h GLU 125 CO 0.04 0.00 0.00 0.44 -0.73 0.00 0.00 179.01 178.76 3dm6 n ILE 126 N -3.41 1.55 -1.80 2.32 -5.35 -1.05 -4.75 119.36 106.86 3dm6 n ILE 126 Ca -0.03 -1.43 -0.38 0.00 -0.27 0.00 0.00 62.75 60.64 3dm6 n ILE 126 Cb 0.08 0.16 0.05 0.00 -1.74 0.00 0.00 39.64 38.19 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 -1.83 2.63 -0.05 -1.28 0.00 -0.07 -4.68 121.76 116.48 3dm6 s ALA 127 Ca 0.28 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.50 3dm6 s ALA 127 Cb 0.20 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3dm6 s ALA 127 CO 0.10 -1.43 -0.05 1.03 0.00 0.00 0.00 175.76 175.41 3dm6 s ARG 128 N -3.12 2.73 0.40 0.00 1.81 -1.26 -3.05 118.95 116.45 3dm6 s ARG 128 Ca 0.76 -0.58 0.16 0.00 -1.72 0.00 0.00 55.73 54.35 3dm6 s ARG 128 Cb -0.38 -2.60 0.83 0.00 -0.45 0.00 0.00 34.95 32.35 3dm6 s ARG 128 CO 0.43 0.65 1.85 -1.35 -0.68 0.00 0.00 175.30 176.20 3dm6 h PRO 129 N 4.98 0.00 0.00 3.54 0.11 -1.89 -3.47 132.00 135.26 3dm6 h PRO 129 Ca -0.49 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3dm6 h PRO 129 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dm6 h PRO 129 CO 0.53 0.33 0.06 -0.40 -0.21 0.00 0.00 178.00 178.31 3dm6 n ASP 130 N -3.95 -0.21 0.00 -2.05 5.75 -1.17 -5.03 116.55 109.89 3dm6 n ASP 130 Ca -0.02 -1.12 0.07 0.00 -0.01 0.00 0.00 54.79 53.72 3dm6 n ASP 130 Cb 0.39 0.34 0.40 0.00 -1.03 0.00 0.00 41.12 41.22 3dm6 n ASP 130 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3dm6 n ASP 131 N -0.72 0.00 0.15 -1.12 5.68 -1.25 -2.48 116.55 116.80 3dm6 n ASP 131 Ca -0.00 -1.49 0.04 0.00 -0.50 0.00 0.00 54.79 52.84 3dm6 n ASP 131 Cb 0.07 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.10 3dm6 n ASP 131 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3dm6 h SER 132 N 0.00 0.00 -1.64 -1.12 4.64 -1.93 -3.42 113.55 110.08 3dm6 h SER 132 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3dm6 h SER 132 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 3dm6 h SER 132 CO 0.00 0.39 1.31 -0.22 -0.87 0.00 0.00 176.83 177.44 3dm6 s LEU 133 N -6.37 3.39 0.06 5.97 2.96 -1.04 -4.97 118.68 118.68 3dm6 s LEU 133 Ca 0.04 -1.05 -0.30 0.00 -0.22 0.00 0.00 54.13 52.60 3dm6 s LEU 133 Cb 0.07 -2.56 -0.09 0.00 0.50 0.00 0.00 46.19 44.11 3dm6 s LEU 133 CO 0.73 -1.64 1.91 -0.70 -1.32 0.00 0.00 176.35 175.33 3dm6 s GLU 134 N 5.26 4.14 0.40 1.98 2.12 -1.26 -4.88 118.70 126.45 3dm6 s GLU 134 Ca 0.41 2.59 -0.25 0.00 0.36 0.00 0.00 54.97 58.08 3dm6 s GLU 134 Cb -0.03 -3.97 -0.08 0.00 0.26 0.00 0.00 34.13 30.30 3dm6 s GLU 134 CO 0.00 -0.91 1.22 -2.14 -0.54 0.00 0.00 175.26 172.89 3dm6 s PRO 135 N 3.88 4.02 0.19 4.30 0.02 -1.26 -4.42 135.00 141.73 3dm6 s PRO 135 Ca 0.85 1.96 -0.19 0.00 0.02 0.00 0.00 61.00 63.63 3dm6 s PRO 135 Cb -0.43 -2.71 0.15 0.00 0.02 0.00 0.00 34.50 31.53 3dm6 s PRO 135 CO 0.39 -0.39 1.43 0.34 -0.33 0.00 0.00 177.00 178.44 3dm6 n PHE 136 N 0.09 -0.09 0.06 6.54 7.35 -1.26 0.19 117.46 130.35 3dm6 n PHE 136 Ca 0.04 1.14 0.05 0.00 -0.76 0.00 0.00 57.45 57.92 3dm6 n PHE 136 Cb 0.45 -0.77 0.47 0.00 0.35 0.00 0.00 39.48 39.98 3dm6 n PHE 136 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 3dm6 h PHE 137 N 0.00 0.39 -0.48 -5.13 3.57 -1.92 -0.49 116.94 112.87 3dm6 h PHE 137 Ca 0.27 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 3dm6 h PHE 137 Cb 0.50 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3dm6 h PHE 137 CO -0.85 0.26 -0.20 -0.44 -2.23 0.00 0.00 178.31 174.85 3dm6 h ASP 138 N 0.42 0.99 0.21 0.41 3.32 -0.62 -2.62 116.42 118.52 3dm6 h ASP 138 Ca 0.11 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 3dm6 h ASP 138 Cb -0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3dm6 h ASP 138 CO -0.02 1.15 -0.14 0.28 -1.72 0.00 0.00 179.24 178.79 3dm6 h SER 139 N 0.84 -0.37 -0.82 6.45 0.02 -0.61 -1.77 113.55 117.29 3dm6 h SER 139 Ca 0.11 0.03 0.15 0.00 -0.84 0.00 0.00 61.79 61.24 3dm6 h SER 139 Cb 0.77 0.12 -0.15 0.00 0.14 0.00 0.00 62.40 63.28 3dm6 h SER 139 CO 0.06 -0.23 -0.29 0.25 -1.14 0.00 0.00 176.83 175.49 3dm6 h LEU 140 N -0.35 -1.05 -0.53 5.07 5.85 -0.97 0.18 115.31 123.51 3dm6 h LEU 140 Ca -0.01 0.26 -0.15 0.00 0.84 0.00 0.00 57.88 58.81 3dm6 h LEU 140 Cb 0.30 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3dm6 h LEU 140 CO 0.00 -0.29 -0.49 0.58 -0.34 0.00 0.00 178.44 177.90 3dm6 h VAL 141 N -0.04 1.31 -0.08 1.05 2.07 -1.39 -2.25 116.25 116.92 3dm6 h VAL 141 Ca 0.35 -1.71 -0.17 0.00 0.82 0.00 0.00 66.70 65.99 3dm6 h VAL 141 Cb 0.60 1.66 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3dm6 h VAL 141 CO -0.85 0.54 -0.61 0.50 0.02 0.00 0.00 177.57 177.16 3dm6 h LYS 142 N 0.49 0.56 0.00 1.57 3.64 -0.34 -3.27 116.57 119.21 3dm6 h LYS 142 Ca 0.02 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3dm6 h LYS 142 Cb 1.03 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3dm6 h LYS 142 CO 0.10 1.12 -0.15 1.04 -2.27 0.00 0.00 179.45 179.28 3dm6 n GLN 143 N -4.15 0.03 -0.38 1.90 6.02 0.53 -4.96 117.38 116.37 3dm6 n GLN 143 Ca -0.09 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3dm6 n GLN 143 Cb 0.66 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.39 3dm6 n GLN 143 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3dm6 n THR 144 N -1.59 0.00 0.31 5.09 -2.24 -0.85 -5.06 114.28 109.95 3dm6 n THR 144 Ca 0.06 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 3dm6 n THR 144 Cb 0.35 0.00 0.08 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 0.12 -1.67 4.78 8.25 -1.26 -4.80 115.22 120.64 3dm6 n HIS 145 Ca 0.00 -0.13 -0.42 0.00 -0.26 0.00 0.00 57.72 56.91 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 0.28 0.64 0.00 0.00 176.34 177.26 3dm6 n VAL 146 N 0.62 0.66 -1.78 1.59 0.31 -1.26 -4.93 118.33 113.54 3dm6 n VAL 146 Ca 0.08 -0.12 -0.36 0.00 -0.01 0.00 0.00 64.34 63.93 3dm6 n VAL 146 Cb 0.32 -2.28 0.06 0.00 -0.91 0.00 0.00 33.84 31.03 3dm6 n VAL 146 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3dm6 s PRO 147 N 3.98 2.61 -1.16 5.55 0.02 -1.25 -4.59 135.00 140.15 3dm6 s PRO 147 Ca 0.87 1.97 -0.22 0.00 0.02 0.00 0.00 61.00 63.65 3dm6 s PRO 147 Cb -0.44 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.15 3dm6 s PRO 147 CO 0.41 -1.52 1.91 -1.71 -0.33 0.00 0.00 177.00 175.75 3dm6 n ASN 148 N -1.91 3.36 -3.64 2.53 5.15 -1.26 -4.18 115.26 115.30 3dm6 n ASN 148 Ca 0.15 -2.74 -0.04 0.00 -0.60 0.00 0.00 54.58 51.35 3dm6 n ASN 148 Cb 0.49 -1.67 -0.07 0.00 -0.53 0.00 0.00 39.78 38.00 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 8.45 -0.27 0.03 1.20 0.20 -1.26 -2.05 118.68 124.99 3dm6 s LEU 149 Ca 0.64 0.49 -0.12 0.00 0.69 0.00 0.00 54.13 55.84 3dm6 s LEU 149 Cb 0.02 1.48 0.01 0.00 -0.43 0.00 0.00 46.19 47.28 3dm6 s LEU 149 CO 0.12 -0.08 0.25 0.72 -0.29 0.00 0.00 176.35 177.06 3dm6 s PHE 150 N 0.44 -0.03 0.10 5.38 -0.71 -1.09 0.13 117.98 122.19 3dm6 s PHE 150 Ca 0.01 -0.12 0.06 0.00 -1.04 0.00 0.00 56.93 55.84 3dm6 s PHE 150 Cb -0.04 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 3dm6 s PHE 150 CO -0.11 -0.45 -0.15 -1.54 -1.34 0.00 0.00 175.22 171.63 3dm6 s SER 151 N -1.97 1.94 -0.17 1.98 1.04 -0.00 -0.49 113.70 116.02 3dm6 s SER 151 Ca -0.06 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 3dm6 s SER 151 Cb -0.02 -0.07 0.05 0.00 0.10 0.00 0.00 66.02 66.08 3dm6 s SER 151 CO -0.03 -0.10 -0.03 -0.76 0.98 0.00 0.00 173.24 173.31 3dm6 s LEU 152 N -2.14 1.56 -0.44 2.42 1.43 0.15 -1.53 118.68 120.13 3dm6 s LEU 152 Ca 0.05 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 52.34 3dm6 s LEU 152 Cb -0.07 -0.83 0.10 0.00 0.03 0.00 0.00 46.19 45.42 3dm6 s LEU 152 CO 0.03 -0.22 0.29 -1.58 0.23 0.00 0.00 176.35 175.10 3dm6 s GLN 153 N 1.68 2.43 -0.25 1.70 0.74 0.67 -1.75 119.66 124.89 3dm6 s GLN 153 Ca -0.00 -1.67 -0.11 0.00 0.05 0.00 0.00 55.36 53.62 3dm6 s GLN 153 Cb -0.16 -3.81 -0.05 0.00 1.10 0.00 0.00 33.01 30.09 3dm6 s GLN 153 CO -0.07 -1.09 0.19 -0.51 -0.55 0.00 0.00 175.29 173.26 3dm6 s LEU 154 N 1.34 4.08 0.01 3.68 1.43 -1.26 0.08 118.68 128.04 3dm6 s LEU 154 Ca 0.05 0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3dm6 s LEU 154 Cb -0.25 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3dm6 s LEU 154 CO -0.01 0.01 0.09 0.00 0.23 0.00 0.00 176.35 176.67 3dm6 n GLY 156 N 1.02 0.54 0.42 0.00 0.00 -1.26 -4.02 105.19 101.90 3dm6 n GLY 156 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -3.13 4.61 0.00 -1.26 -4.71 120.51 113.02 3dm6 n ALA 157 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3dm6 n ALA 157 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3dm6 n ALA 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3dm6 s VAL 170 N 0.00 0.06 0.00 0.00 -7.23 0.14 -4.95 120.40 108.42 3dm6 s VAL 170 Ca 0.00 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 3dm6 s VAL 170 Cb 0.00 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 36.02 3dm6 s VAL 170 CO 0.00 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 3dm6 n GLY 171 N 0.59 4.25 0.00 2.32 0.00 -1.26 -1.00 105.19 110.09 3dm6 n GLY 171 Ca -0.19 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.19 -1.18 2.94 -0.02 0.00 -0.37 -0.54 105.19 106.21 3dm6 n GLY 172 Ca 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.52 0.07 -0.35 1.61 0.01 0.11 -1.34 113.70 110.29 3dm6 s SER 173 Ca 0.00 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.12 3dm6 s SER 173 Cb 0.00 0.08 0.10 0.00 0.21 0.00 0.00 66.02 66.41 3dm6 s SER 173 CO 0.00 -0.14 0.08 -0.32 0.41 0.00 0.00 173.24 173.27 3dm6 s MET 174 N -0.62 1.30 -0.60 12.44 1.75 -1.26 -0.24 119.30 132.08 3dm6 s MET 174 Ca -0.07 -1.72 -0.26 0.00 -1.25 0.00 0.00 55.69 52.39 3dm6 s MET 174 Cb -0.04 -2.87 0.04 0.00 2.84 0.00 0.00 34.83 34.80 3dm6 s MET 174 CO -0.00 -0.97 1.07 0.42 -0.65 0.00 0.00 175.02 174.89 3dm6 s ILE 175 N 0.99 4.17 -0.13 10.11 -1.09 -0.58 -4.91 121.20 129.77 3dm6 s ILE 175 Ca 0.11 0.45 -0.27 0.00 -2.23 0.00 0.00 60.65 58.71 3dm6 s ILE 175 Cb -0.19 -4.67 -0.02 0.00 -1.58 0.00 0.00 42.46 36.00 3dm6 s ILE 175 CO -0.12 -1.33 0.91 -0.63 -1.23 0.00 0.00 174.94 172.54 3dm6 s ILE 176 N 4.54 4.85 0.00 2.92 1.09 -1.26 -0.82 121.20 132.51 3dm6 s ILE 176 Ca 0.34 1.82 0.00 0.00 -1.10 0.00 0.00 60.65 61.72 3dm6 s ILE 176 Cb -0.11 -4.22 0.00 0.00 -1.06 0.00 0.00 42.46 37.08 3dm6 s ILE 176 CO 0.20 0.04 0.00 0.61 -0.10 0.00 0.00 174.94 175.68 3dm6 n GLY 177 N 3.25 0.29 1.57 6.18 0.00 0.12 -4.80 105.19 111.80 3dm6 n GLY 177 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.96 0.38 3.44 -0.02 0.00 -1.25 -3.96 105.19 101.82 3dm6 n GLY 178 Ca 0.00 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.06 3.75 -0.42 -0.61 1.01 -1.26 -4.44 121.20 117.17 3dm6 s ILE 179 Ca 0.12 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 3dm6 s ILE 179 Cb -0.00 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.82 3dm6 s ILE 179 CO -0.01 0.46 0.50 -0.62 0.00 0.00 0.00 174.94 175.28 3dm6 s ASP 180 N 0.76 6.24 0.34 3.58 3.68 -1.26 -4.91 116.67 125.10 3dm6 s ASP 180 Ca -0.01 -0.54 0.18 0.00 2.13 0.00 0.00 52.55 54.30 3dm6 s ASP 180 Cb -0.14 -2.25 0.40 0.00 -1.45 0.00 0.00 42.92 39.47 3dm6 s ASP 180 CO 0.02 -0.63 1.60 0.45 0.13 0.00 0.00 175.17 176.73 3dm6 h HIS 181 N 8.76 0.00 0.00 -5.34 3.86 -1.98 -2.91 115.15 117.54 3dm6 h HIS 181 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 3dm6 h HIS 181 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 3dm6 h HIS 181 CO 0.66 0.42 0.00 -1.13 0.86 0.00 0.00 177.93 178.73 3dm6 n SER 182 N -3.35 0.00 -0.47 2.45 3.41 -1.26 -3.20 113.62 111.21 3dm6 n SER 182 Ca 0.01 -0.03 0.06 0.00 -0.26 0.00 0.00 58.87 58.65 3dm6 n SER 182 Cb 0.61 -0.15 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 3dm6 n SER 182 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dm6 n LEU 183 N -1.15 1.96 -4.01 1.04 4.77 -1.10 -5.01 117.00 113.50 3dm6 n LEU 183 Ca 0.05 -0.99 -0.08 0.00 -0.03 0.00 0.00 56.01 54.97 3dm6 n LEU 183 Cb 0.04 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 3dm6 n LEU 183 CO 0.05 0.37 -0.27 -0.72 -1.33 0.00 0.00 177.39 175.49 3dm6 s TYR 184 N -1.03 0.39 0.50 -1.77 1.13 -1.19 -3.35 117.35 112.03 3dm6 s TYR 184 Ca 0.14 -0.89 0.03 0.00 -1.41 0.00 0.00 57.07 54.94 3dm6 s TYR 184 Cb 0.10 -0.28 -0.01 0.00 -1.10 0.00 0.00 41.96 40.67 3dm6 s TYR 184 CO 0.16 -0.43 0.11 0.95 -2.51 0.00 0.00 175.55 173.83 3dm6 s THR 185 N -3.82 1.46 0.00 -3.49 -4.23 -0.91 -4.95 115.64 99.71 3dm6 s THR 185 Ca 0.06 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3dm6 s THR 185 Cb 0.06 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.58 3dm6 s THR 185 CO -0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3dm6 n GLY 186 N -1.34 0.15 3.63 3.99 0.00 -1.26 -3.71 105.19 106.64 3dm6 n GLY 186 Ca -0.12 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 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 4.63 0.09 1.61 1.04 -1.26 -5.00 113.70 110.81 3dm6 s SER 187 Ca 0.00 -0.39 -0.31 0.00 0.48 0.00 0.00 55.95 55.73 3dm6 s SER 187 Cb 0.00 -0.95 -0.08 0.00 0.10 0.00 0.00 66.02 65.09 3dm6 s SER 187 CO 0.00 0.13 1.53 -0.76 0.98 0.00 0.00 173.24 175.12 3dm6 s LEU 188 N -2.62 4.36 -0.17 2.42 1.43 -1.26 -4.54 118.68 118.30 3dm6 s LEU 188 Ca 0.25 2.41 -0.03 0.00 -1.03 0.00 0.00 54.13 55.74 3dm6 s LEU 188 Cb -0.10 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3dm6 s LEU 188 CO 0.17 -0.79 -0.06 0.26 0.23 0.00 0.00 176.35 176.15 3dm6 s TRP 189 N 1.89 2.94 -0.09 0.29 0.52 -0.23 -4.91 118.94 119.35 3dm6 s TRP 189 Ca 0.69 -0.61 -0.01 0.00 0.02 0.00 0.00 56.10 56.19 3dm6 s TRP 189 Cb -0.39 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 3dm6 s TRP 189 CO 0.30 -0.26 -0.04 0.71 0.02 0.00 0.00 176.95 177.68 3dm6 s TYR 190 N 0.76 3.01 -0.03 -1.98 1.51 -1.26 0.15 117.35 119.51 3dm6 s TYR 190 Ca -0.03 0.02 0.07 0.00 -1.01 0.00 0.00 57.07 56.12 3dm6 s TYR 190 Cb -0.15 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 3dm6 s TYR 190 CO 0.02 0.31 -0.23 -0.08 -1.11 0.00 0.00 175.55 174.46 3dm6 s THR 191 N -0.64 1.81 0.21 -0.71 -1.32 0.30 -3.84 115.64 111.45 3dm6 s THR 191 Ca 0.10 -0.97 -0.31 0.00 -1.21 0.00 0.00 61.69 59.30 3dm6 s THR 191 Cb -0.12 -1.51 -0.10 0.00 -1.51 0.00 0.00 72.50 69.26 3dm6 s THR 191 CO 0.02 0.51 1.52 -2.84 -2.21 0.00 0.00 174.62 171.62 3dm6 s PRO 192 N -0.40 4.23 -0.37 7.08 0.02 -1.26 0.11 135.00 144.41 3dm6 s PRO 192 Ca 0.05 2.36 -0.28 0.00 0.02 0.00 0.00 61.00 63.14 3dm6 s PRO 192 Cb -0.10 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 3dm6 s PRO 192 CO 0.00 -0.54 1.79 0.42 -0.33 0.00 0.00 177.00 178.35 3dm6 s ILE 193 N 0.61 3.48 0.29 2.83 1.01 0.32 -4.53 121.20 125.20 3dm6 s ILE 193 Ca 0.65 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.79 3dm6 s ILE 193 Cb -0.43 -3.70 0.29 0.00 0.01 0.00 0.00 42.46 38.63 3dm6 s ILE 193 CO 0.37 -0.48 1.85 -0.09 0.00 0.00 0.00 174.94 176.59 3dm6 h ARG 194 N 13.08 0.95 -1.79 2.79 2.43 -1.22 -3.44 114.38 127.17 3dm6 h ARG 194 Ca -0.32 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.81 3dm6 h ARG 194 Cb 1.17 -0.21 -0.24 0.00 -0.42 0.00 0.00 29.97 30.27 3dm6 h ARG 194 CO 1.06 0.63 0.27 0.50 -1.51 0.00 0.00 179.97 180.91 3dm6 s ARG 195 N -5.92 0.64 -1.26 0.20 3.52 -1.26 -5.09 118.95 109.78 3dm6 s ARG 195 Ca -0.12 0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 56.17 3dm6 s ARG 195 Cb 0.22 0.28 0.13 0.00 -1.56 0.00 0.00 34.95 34.01 3dm6 s ARG 195 CO 0.81 -0.09 1.63 0.39 -0.81 0.00 0.00 175.30 177.23 3dm6 n GLU 196 N 2.81 3.30 0.00 5.12 1.02 -1.26 -4.09 120.64 127.55 3dm6 n GLU 196 Ca -0.15 -3.55 0.00 0.00 -0.02 0.00 0.00 57.16 53.44 3dm6 n GLU 196 Cb 0.56 -3.20 0.00 0.00 -0.02 0.00 0.00 31.44 28.78 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 6.43 0.00 -1.09 -0.32 4.27 -1.26 -4.59 117.44 120.88 3dm6 n TRP 197 Ca 0.42 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.73 3dm6 n TRP 197 Cb 0.43 0.00 0.14 0.00 -1.36 0.00 0.00 31.31 30.52 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 0.00 2.21 -0.81 -2.67 2.02 -1.26 -1.39 117.35 115.45 3dm6 s TYR 198 Ca 0.00 1.43 -0.25 0.00 -0.37 0.00 0.00 57.07 57.88 3dm6 s TYR 198 Cb 0.00 -3.15 -0.05 0.00 -0.40 0.00 0.00 41.96 38.36 3dm6 s TYR 198 CO 0.00 -2.40 1.97 0.71 -1.57 0.00 0.00 175.55 174.27 3dm6 s TYR 199 N -2.84 1.70 -0.11 2.71 1.51 -1.26 -4.85 117.35 114.21 3dm6 s TYR 199 Ca 0.64 0.80 -0.11 0.00 -1.01 0.00 0.00 57.07 57.38 3dm6 s TYR 199 Cb -0.19 -4.00 -0.05 0.00 -0.11 0.00 0.00 41.96 37.61 3dm6 s TYR 199 CO 0.57 -1.90 0.24 -2.00 -1.11 0.00 0.00 175.55 171.36 3dm6 s GLU 200 N 7.19 3.86 0.39 -0.62 2.12 -1.26 -1.47 118.70 128.91 3dm6 s GLU 200 Ca 0.72 0.05 0.05 0.00 0.36 0.00 0.00 54.97 56.15 3dm6 s GLU 200 Cb -0.09 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 3dm6 s GLU 200 CO 0.06 0.56 0.18 0.14 -0.54 0.00 0.00 175.26 175.66 3dm6 s VAL 201 N -0.48 0.36 -0.08 3.70 -7.23 -0.60 -0.70 120.40 115.37 3dm6 s VAL 201 Ca 0.17 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.33 3dm6 s VAL 201 Cb -0.13 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.46 3dm6 s VAL 201 CO 0.06 0.00 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.17 3dm6 s ILE 202 N -3.29 0.71 -0.21 -0.62 1.01 -1.26 -4.11 121.20 113.43 3dm6 s ILE 202 Ca 0.29 -0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.66 3dm6 s ILE 202 Cb 0.02 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 3dm6 s ILE 202 CO 0.19 0.30 0.41 -0.63 0.00 0.00 0.00 174.94 175.21 3dm6 s ILE 203 N 1.63 5.19 -0.35 2.92 1.01 -1.26 -1.45 121.20 128.89 3dm6 s ILE 203 Ca 0.01 0.72 0.17 0.00 0.00 0.00 0.00 60.65 61.55 3dm6 s ILE 203 Cb -0.13 -3.74 -0.23 0.00 0.01 0.00 0.00 42.46 38.37 3dm6 s ILE 203 CO -0.05 0.24 0.52 1.33 0.00 0.00 0.00 174.94 176.98 3dm6 n VAL 204 N 4.41 0.00 -3.63 2.92 0.24 0.13 -4.76 118.33 117.63 3dm6 n VAL 204 Ca -0.08 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 3dm6 n VAL 204 Cb 0.51 0.48 -0.07 0.00 -1.47 0.00 0.00 33.84 33.29 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 -2.94 0.65 -0.13 7.34 3.52 -1.22 -4.78 118.95 121.39 3dm6 s ARG 205 Ca -0.01 0.78 0.02 0.00 -0.13 0.00 0.00 55.73 56.39 3dm6 s ARG 205 Cb 0.12 0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 3dm6 s ARG 205 CO 0.71 -0.08 -0.20 0.08 -0.81 0.00 0.00 175.30 175.00 3dm6 s VAL 206 N 0.30 1.87 -0.02 7.11 1.01 -1.26 -0.32 120.40 129.09 3dm6 s VAL 206 Ca 0.02 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.20 3dm6 s VAL 206 Cb -0.05 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3dm6 s VAL 206 CO -0.03 0.51 -0.24 -1.61 0.00 0.00 0.00 175.10 173.73 3dm6 s GLU 207 N 0.85 2.04 -0.26 2.72 2.02 -0.60 -2.21 118.70 123.26 3dm6 s GLU 207 Ca -0.07 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.06 3dm6 s GLU 207 Cb -0.15 -1.94 0.06 0.00 0.10 0.00 0.00 34.13 32.19 3dm6 s GLU 207 CO -0.01 0.50 -0.10 0.42 0.02 0.00 0.00 175.26 176.09 3dm6 s ILE 208 N -0.52 2.30 -1.20 -1.63 1.01 0.51 0.30 121.20 121.99 3dm6 s ILE 208 Ca 0.08 -1.55 -0.03 0.00 0.00 0.00 0.00 60.65 59.14 3dm6 s ILE 208 Cb -0.10 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 40.06 3dm6 s ILE 208 CO -0.00 -0.01 0.21 0.59 0.00 0.00 0.00 174.94 175.72 3dm6 n ASN 209 N 4.47 -4.14 0.00 3.58 3.02 -0.60 -1.12 115.26 120.47 3dm6 n ASN 209 Ca -0.14 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 3dm6 n ASN 209 Cb 0.43 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 3dm6 n ASN 209 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dm6 n GLY 210 N -0.99 2.19 3.74 7.41 0.00 -1.26 -5.04 105.19 111.24 3dm6 n GLY 210 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.42 4.49 -0.01 1.61 -1.52 -0.28 -4.99 119.66 118.55 3dm6 s GLN 211 Ca 0.00 1.91 -0.23 0.00 -1.95 0.00 0.00 55.36 55.09 3dm6 s GLN 211 Cb 0.00 -3.21 -0.05 0.00 -0.22 0.00 0.00 33.01 29.53 3dm6 s GLN 211 CO 0.00 -0.06 0.70 0.34 -0.25 0.00 0.00 175.29 176.02 3dm6 s ASP 212 N -0.07 7.08 0.49 5.90 -1.08 -1.26 -0.36 116.67 127.37 3dm6 s ASP 212 Ca 0.52 1.29 0.33 0.00 -0.52 0.00 0.00 52.55 54.16 3dm6 s ASP 212 Cb -0.34 -2.42 1.50 0.00 -1.46 0.00 0.00 42.92 40.20 3dm6 s ASP 212 CO 0.39 -0.01 1.98 -0.07 0.52 0.00 0.00 175.17 177.98 3dm6 h LEU 213 N 6.04 0.00 0.17 -1.34 4.07 -1.84 -3.47 115.31 118.95 3dm6 h LEU 213 Ca -0.43 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.45 3dm6 h LEU 213 Cb 1.20 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.91 3dm6 h LEU 213 CO 0.72 0.00 -0.07 1.17 -1.08 0.00 0.00 178.44 179.18 3dm6 n LYS 214 N -2.81 -0.37 -3.38 1.13 3.00 -1.26 -5.00 118.16 109.47 3dm6 n LYS 214 Ca -0.00 0.53 -0.29 0.00 -0.00 0.00 0.00 58.31 58.55 3dm6 n LYS 214 Cb 0.21 -4.15 -0.04 0.00 0.00 0.00 0.00 35.03 31.06 3dm6 n LYS 214 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3dm6 s MET 215 N -1.92 3.65 -0.01 1.64 -1.94 -1.26 -5.01 119.30 114.45 3dm6 s MET 215 Ca 0.00 0.03 -0.33 0.00 -1.71 0.00 0.00 55.69 53.68 3dm6 s MET 215 Cb 0.00 -2.66 -0.11 0.00 2.01 0.00 0.00 34.83 34.07 3dm6 s MET 215 CO 0.00 0.25 1.89 -3.47 -0.01 0.00 0.00 175.02 173.68 3dm6 n ASP 216 N -0.76 3.73 0.20 3.03 2.03 -1.26 -4.83 116.55 118.69 3dm6 n ASP 216 Ca -0.02 0.96 0.10 0.00 0.52 0.00 0.00 54.79 56.35 3dm6 n ASP 216 Cb 0.54 -1.44 0.53 0.00 -0.72 0.00 0.00 41.12 40.03 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 -0.04 0.00 1.57 -1.84 -2.98 116.57 113.29 3dm6 h LYS 218 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3dm6 h LYS 218 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3dm6 h LYS 218 CO 0.00 0.01 -0.80 0.93 -0.57 0.00 0.00 179.45 179.02 3dm6 h GLU 219 N 0.00 0.33 0.00 3.15 4.39 -0.40 -2.95 114.58 119.11 3dm6 h GLU 219 Ca -0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3dm6 h GLU 219 Cb 0.33 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3dm6 h GLU 219 CO 0.00 0.97 0.00 1.88 -1.16 0.00 0.00 179.01 180.71 3dm6 h TYR 220 N 0.21 0.00 0.00 4.33 0.99 -1.69 -3.07 116.97 117.74 3dm6 h TYR 220 Ca -0.04 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.63 3dm6 h TYR 220 Cb 1.39 0.00 -0.14 0.00 1.00 0.00 0.00 36.73 38.99 3dm6 h TYR 220 CO 0.04 0.00 -0.61 0.09 -0.00 0.00 0.00 178.16 177.68 3dm6 n ASN 221 N -2.41 1.32 -4.50 3.88 3.02 -1.12 -4.48 115.26 110.96 3dm6 n ASN 221 Ca -0.01 -2.86 -0.43 0.00 -0.03 0.00 0.00 54.58 51.25 3dm6 n ASN 221 Cb 0.09 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 38.80 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 -1.61 3.07 -1.73 3.10 5.04 -1.15 -1.13 117.35 122.94 3dm6 s TYR 222 Ca 0.30 -0.20 0.17 0.00 -2.44 0.00 0.00 57.07 54.91 3dm6 s TYR 222 Cb 0.31 -3.31 0.39 0.00 0.35 0.00 0.00 41.96 39.69 3dm6 s TYR 222 CO -0.08 -0.88 1.31 -0.40 -1.34 0.00 0.00 175.55 174.16 3dm6 n ASP 223 N 6.16 3.19 -3.62 4.32 3.85 -1.26 -3.48 116.55 125.71 3dm6 n ASP 223 Ca -0.03 -1.92 -0.08 0.00 -0.71 0.00 0.00 54.79 52.04 3dm6 n ASP 223 Cb 0.47 -0.26 -0.02 0.00 -1.35 0.00 0.00 41.12 39.96 3dm6 n ASP 223 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3dm6 s LYS 224 N -1.15 1.27 -0.05 0.11 -2.85 -0.28 -4.72 119.74 112.06 3dm6 s LYS 224 Ca 0.32 -0.59 0.04 0.00 -1.00 0.00 0.00 55.97 54.74 3dm6 s LYS 224 Cb 0.18 0.50 -0.00 0.00 -2.06 0.00 0.00 37.83 36.45 3dm6 s LYS 224 CO 0.25 -0.57 -0.16 -1.12 0.10 0.00 0.00 175.35 173.84 3dm6 s SER 225 N -2.77 2.10 0.07 0.03 0.01 -1.26 -0.64 113.70 111.23 3dm6 s SER 225 Ca 0.07 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.00 3dm6 s SER 225 Cb -0.02 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 3dm6 s SER 225 CO -0.04 0.14 -0.07 0.27 0.41 0.00 0.00 173.24 173.95 3dm6 s ILE 226 N 0.13 0.59 -0.29 1.44 -4.36 -0.71 -1.56 121.20 116.43 3dm6 s ILE 226 Ca -0.06 -1.47 -0.08 0.00 -0.26 0.00 0.00 60.65 58.79 3dm6 s ILE 226 Cb -0.12 -1.09 -0.00 0.00 1.25 0.00 0.00 42.46 42.49 3dm6 s ILE 226 CO 0.02 -0.62 0.10 -0.69 0.24 0.00 0.00 174.94 173.99 3dm6 s VAL 227 N -2.43 4.21 -0.25 8.37 1.01 -0.54 -0.31 120.40 130.45 3dm6 s VAL 227 Ca -0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3dm6 s VAL 227 Cb -0.03 -3.11 0.08 0.00 0.00 0.00 0.00 36.38 33.32 3dm6 s VAL 227 CO -0.02 0.14 0.11 -0.62 0.00 0.00 0.00 175.10 174.71 3dm6 s ASP 228 N 1.56 3.13 0.55 3.32 -1.08 -0.78 -4.50 116.67 118.87 3dm6 s ASP 228 Ca 0.04 -1.06 0.35 0.00 -0.52 0.00 0.00 52.55 51.36 3dm6 s ASP 228 Cb -0.17 -0.36 1.55 0.00 -1.46 0.00 0.00 42.92 42.49 3dm6 s ASP 228 CO 0.04 -0.40 2.04 0.77 0.52 0.00 0.00 175.17 178.13 3dm6 h SER 229 N 8.39 0.00 -0.65 -0.34 4.64 -1.84 -2.69 113.55 121.05 3dm6 h SER 229 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3dm6 h SER 229 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3dm6 h SER 229 CO 0.39 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 3dm6 n GLY 230 N -0.20 2.28 3.61 -0.77 0.00 -1.25 -4.58 105.19 104.28 3dm6 n GLY 230 Ca -0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.38 3.78 -0.09 2.61 2.01 -1.01 -5.03 115.64 116.53 3dm6 s THR 231 Ca 0.46 -0.64 -0.25 0.00 0.31 0.00 0.00 61.69 61.57 3dm6 s THR 231 Cb 0.26 -2.62 -0.21 0.00 0.01 0.00 0.00 72.50 69.94 3dm6 s THR 231 CO 0.28 0.46 0.90 0.74 -0.69 0.00 0.00 174.62 176.30 3dm6 h THR 232 N 3.87 1.43 -3.36 -0.82 2.02 -1.89 -0.27 112.91 113.89 3dm6 h THR 232 Ca -0.49 -1.72 -0.47 0.00 0.77 0.00 0.00 66.41 64.50 3dm6 h THR 232 Cb 1.17 2.53 0.04 0.00 -1.74 0.00 0.00 68.15 70.16 3dm6 h THR 232 CO 0.54 0.42 0.08 0.20 0.37 0.00 0.00 175.52 177.13 3dm6 s ASN 233 N -5.91 5.77 -0.33 4.18 0.01 -1.26 -1.55 114.94 115.85 3dm6 s ASN 233 Ca -0.16 0.61 -0.29 0.00 -0.71 0.00 0.00 52.86 52.31 3dm6 s ASN 233 Cb -0.01 -1.74 0.00 0.00 0.41 0.00 0.00 41.25 39.92 3dm6 s ASN 233 CO 0.62 -0.87 1.32 -0.22 -1.51 0.00 0.00 177.10 176.43 3dm6 s LEU 234 N -4.81 3.80 -0.11 0.60 2.96 -1.03 -1.99 118.68 118.09 3dm6 s LEU 234 Ca 0.51 1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 55.48 3dm6 s LEU 234 Cb -0.10 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3dm6 s LEU 234 CO 0.43 -1.17 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.15 3dm6 s ARG 235 N 4.37 3.26 0.02 1.98 0.52 -0.64 -1.31 118.95 127.15 3dm6 s ARG 235 Ca 0.57 -0.43 0.04 0.00 -0.52 0.00 0.00 55.73 55.39 3dm6 s ARG 235 Cb -0.16 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.44 3dm6 s ARG 235 CO 0.26 0.54 -0.12 -0.51 0.02 0.00 0.00 175.30 175.48 3dm6 s LEU 236 N -0.42 2.11 0.49 2.53 1.43 0.11 -1.49 118.68 123.44 3dm6 s LEU 236 Ca 0.08 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.59 3dm6 s LEU 236 Cb -0.12 -0.55 -0.07 0.00 0.03 0.00 0.00 46.19 45.47 3dm6 s LEU 236 CO 0.02 0.06 1.27 -2.65 0.23 0.00 0.00 176.35 175.28 3dm6 n PRO 237 N 2.26 1.74 -0.30 1.29 -0.02 -1.26 -0.86 135.00 137.85 3dm6 n PRO 237 Ca -0.17 0.63 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 3dm6 n PRO 237 Cb 0.55 -2.44 0.10 0.00 -0.02 0.00 0.00 33.50 31.69 3dm6 n PRO 237 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3dm6 n LYS 238 N -0.47 -0.09 0.37 -0.52 4.81 -1.15 -0.64 118.16 120.47 3dm6 n LYS 238 Ca 0.09 1.27 -0.17 0.00 -0.87 0.00 0.00 58.31 58.63 3dm6 n LYS 238 Cb 0.42 -1.90 -0.09 0.00 0.02 0.00 0.00 35.03 33.49 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 -0.90 -0.86 1.64 1.57 -1.93 -2.55 116.57 113.53 3dm6 h LYS 239 Ca 0.37 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.29 3dm6 h LYS 239 Cb 0.58 0.20 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 3dm6 h LYS 239 CO -0.84 -0.57 0.56 0.28 -0.57 0.00 0.00 179.45 178.31 3dm6 h VAL 240 N -1.06 1.04 -0.01 0.50 2.07 -1.27 -2.30 116.25 115.22 3dm6 h VAL 240 Ca -0.10 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3dm6 h VAL 240 Cb 0.74 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3dm6 h VAL 240 CO 0.16 0.17 -0.00 0.15 0.02 0.00 0.00 177.57 178.07 3dm6 h PHE 241 N 0.94 0.01 -0.48 1.57 3.57 -0.85 -1.65 116.94 120.05 3dm6 h PHE 241 Ca 0.38 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.91 3dm6 h PHE 241 Cb 0.25 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3dm6 h PHE 241 CO -0.00 0.33 0.25 0.93 -2.23 0.00 0.00 178.31 177.59 3dm6 h GLU 242 N -0.31 0.48 -0.37 1.11 5.08 -1.13 -0.35 114.58 119.09 3dm6 h GLU 242 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dm6 h GLU 242 Cb 0.33 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3dm6 h GLU 242 CO 0.00 0.32 0.23 0.00 -1.00 0.00 0.00 179.01 178.56 3dm6 h ALA 243 N 1.25 1.72 0.08 3.43 0.00 -1.36 -1.28 119.26 123.10 3dm6 h ALA 243 Ca 0.21 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3dm6 h ALA 243 Cb 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.76 3dm6 h ALA 243 CO -0.14 0.26 -0.65 0.00 0.00 0.00 0.00 179.25 178.72 3dm6 h ALA 244 N 1.75 -0.03 0.20 0.00 0.00 -0.33 -3.02 119.26 117.84 3dm6 h ALA 244 Ca 0.13 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.43 3dm6 h ALA 244 Cb -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3dm6 h ALA 244 CO -0.03 0.31 -0.25 0.28 0.00 0.00 0.00 179.25 179.57 3dm6 h VAL 245 N -0.36 0.45 -1.08 0.00 2.07 -1.03 -0.63 116.25 115.67 3dm6 h VAL 245 Ca -0.10 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.72 3dm6 h VAL 245 Cb 1.45 0.45 -0.11 0.00 -1.52 0.00 0.00 31.29 31.56 3dm6 h VAL 245 CO 0.12 0.00 0.67 0.50 0.02 0.00 0.00 177.57 178.89 3dm6 h LYS 246 N -0.50 0.35 0.00 1.57 3.64 -1.32 0.43 116.57 120.73 3dm6 h LYS 246 Ca 0.01 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 3dm6 h LYS 246 Cb 0.49 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3dm6 h LYS 246 CO -0.09 0.23 -0.80 0.77 -2.27 0.00 0.00 179.45 177.28 3dm6 h SER 247 N 0.36 0.00 0.62 4.20 0.02 -1.22 -2.00 113.55 115.53 3dm6 h SER 247 Ca 0.67 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.34 3dm6 h SER 247 Cb 1.68 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.21 3dm6 h SER 247 CO -0.40 0.61 -1.35 0.40 -1.14 0.00 0.00 176.83 174.95 3dm6 h ILE 248 N 0.00 1.35 0.74 3.27 2.04 0.86 -2.41 117.51 123.36 3dm6 h ILE 248 Ca -0.05 -3.00 -0.04 0.00 1.00 0.00 0.00 64.86 62.78 3dm6 h ILE 248 Cb 1.50 2.81 0.01 0.00 -0.74 0.00 0.00 36.82 40.40 3dm6 h ILE 248 CO 0.07 0.85 -0.35 0.50 0.00 0.00 0.00 178.15 179.22 3dm6 h LYS 249 N 0.05 -0.95 -0.88 2.37 3.64 -0.40 -2.91 116.57 117.49 3dm6 h LYS 249 Ca -0.16 0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3dm6 h LYS 249 Cb 1.95 0.22 -0.11 0.00 -0.41 0.00 0.00 32.23 33.88 3dm6 h LYS 249 CO 0.16 -0.64 -0.52 0.00 -2.27 0.00 0.00 179.45 176.19 3dm6 n ALA 250 N -2.66 -0.56 0.68 5.00 0.00 -0.75 -0.31 120.51 121.91 3dm6 n ALA 250 Ca -0.12 0.75 0.06 0.00 0.00 0.00 0.00 53.44 54.13 3dm6 n ALA 250 Cb 0.39 -0.13 0.34 0.00 0.00 0.00 0.00 19.45 20.06 3dm6 n ALA 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dm6 n ALA 251 N -3.34 1.83 -0.70 0.00 0.00 -0.91 -2.88 120.51 114.51 3dm6 n ALA 251 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3dm6 n ALA 251 Cb 0.23 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3dm6 n ALA 251 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dm6 n SER 252 N -1.18 0.46 0.14 0.00 3.41 -0.03 -4.63 113.62 111.78 3dm6 n SER 252 Ca 0.07 -1.16 0.19 0.00 -0.26 0.00 0.00 58.87 57.72 3dm6 n SER 252 Cb 0.08 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 64.75 3dm6 n SER 252 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dm6 h SER 253 N 0.00 0.00 0.00 4.04 4.64 -0.52 -1.71 113.55 120.00 3dm6 h SER 253 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dm6 h SER 253 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3dm6 h SER 253 CO 0.00 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 177.03 3dm6 n THR 254 N -3.43 0.00 -3.98 2.95 5.66 -1.26 -4.54 114.28 109.68 3dm6 n THR 254 Ca 0.06 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.96 3dm6 n THR 254 Cb 0.65 -0.35 -0.07 0.00 -1.55 0.00 0.00 70.33 69.01 3dm6 n THR 254 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dm6 s GLU 255 N -1.53 1.23 -0.12 1.09 2.02 -0.64 -5.16 118.70 115.58 3dm6 s GLU 255 Ca 0.00 -1.21 -0.01 0.00 0.02 0.00 0.00 54.97 53.77 3dm6 s GLU 255 Cb 0.00 0.39 -0.02 0.00 0.10 0.00 0.00 34.13 34.59 3dm6 s GLU 255 CO 0.00 -0.46 -0.08 -1.59 0.02 0.00 0.00 175.26 173.15 3dm6 s LYS 256 N -3.99 3.26 -0.01 1.61 0.00 -1.26 -5.05 119.74 114.30 3dm6 s LYS 256 Ca 0.19 -0.58 0.02 0.00 0.00 0.00 0.00 55.97 55.61 3dm6 s LYS 256 Cb 0.03 -2.72 -0.00 0.00 0.00 0.00 0.00 37.83 35.14 3dm6 s LYS 256 CO 0.02 0.39 -0.07 -0.06 0.00 0.00 0.00 175.35 175.63 3dm6 s PHE 257 N -0.06 0.70 0.25 1.78 0.40 -1.26 -5.02 117.98 114.76 3dm6 s PHE 257 Ca -0.00 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 55.88 3dm6 s PHE 257 Cb -0.13 -0.47 -0.11 0.00 0.51 0.00 0.00 43.02 42.81 3dm6 s PHE 257 CO 0.03 -0.04 1.56 -2.14 0.70 0.00 0.00 175.22 175.34 3dm6 s PRO 258 N -0.03 4.17 0.00 0.24 0.02 -1.26 -4.85 135.00 133.30 3dm6 s PRO 258 Ca 0.01 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3dm6 s PRO 258 Cb -0.05 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.40 3dm6 s PRO 258 CO -0.00 -0.59 0.50 -0.40 -0.33 0.00 0.00 177.00 176.19 3dm6 n ASP 259 N 2.71 0.06 -0.01 2.53 5.75 -1.26 0.00 116.55 126.34 3dm6 n ASP 259 Ca 0.10 -1.07 0.10 0.00 -0.01 0.00 0.00 54.79 53.91 3dm6 n ASP 259 Cb 0.38 -0.03 -0.15 0.00 -1.03 0.00 0.00 41.12 40.29 3dm6 n ASP 259 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dm6 n GLY 260 N 0.06 -0.97 0.32 6.12 0.00 -1.26 -4.41 105.19 105.06 3dm6 n GLY 260 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 0.35 0.00 1.61 3.57 -0.63 -1.29 116.94 120.54 3dm6 h PHE 261 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3dm6 h PHE 261 Cb 0.81 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3dm6 h PHE 261 CO 0.00 0.19 0.00 -1.49 -2.23 0.00 0.00 178.31 174.78 3dm6 h TRP 262 N 0.35 0.00 -0.01 0.41 4.06 -1.77 -1.77 115.95 117.22 3dm6 h TRP 262 Ca 0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.13 3dm6 h TRP 262 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 3dm6 h TRP 262 CO -0.00 0.00 -0.34 1.28 -3.56 0.00 0.00 178.44 175.82 3dm6 n LEU 263 N -2.85 1.35 0.00 -4.49 4.77 -0.52 -4.94 117.00 110.31 3dm6 n LEU 263 Ca 0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3dm6 n LEU 263 Cb 0.36 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3dm6 n LEU 263 CO 0.28 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3dm6 n GLY 264 N 1.37 1.32 0.20 -0.72 0.00 -0.66 -4.92 105.19 101.77 3dm6 n GLY 264 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3dm6 n GLY 264 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dm6 h GLU 265 N 3.25 0.00 -5.06 1.61 5.08 -1.74 -3.46 114.58 114.27 3dm6 h GLU 265 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 3dm6 h GLU 265 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 3dm6 h GLU 265 CO 0.00 0.33 -0.70 -0.65 -1.00 0.00 0.00 179.01 177.00 3dm6 s GLN 266 N -4.19 1.14 0.37 2.33 -0.21 -1.25 -4.99 119.66 112.86 3dm6 s GLN 266 Ca -0.03 -1.52 0.01 0.00 0.02 0.00 0.00 55.36 53.85 3dm6 s GLN 266 Cb 0.14 -0.60 -0.02 0.00 1.00 0.00 0.00 33.01 33.53 3dm6 s GLN 266 CO 0.71 0.02 0.57 -0.51 -2.12 0.00 0.00 175.29 173.95 3dm6 s LEU 267 N -3.21 3.90 0.09 2.90 1.43 -1.26 -4.41 118.68 118.12 3dm6 s LEU 267 Ca 0.20 0.30 0.09 0.00 -1.03 0.00 0.00 54.13 53.70 3dm6 s LEU 267 Cb 0.04 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 3dm6 s LEU 267 CO 0.03 -0.44 -0.25 0.68 0.23 0.00 0.00 176.35 176.61 3dm6 s VAL 268 N -2.36 2.04 0.08 -1.59 -7.23 -1.03 -4.84 120.40 105.46 3dm6 s VAL 268 Ca 0.43 -1.54 0.04 0.00 -1.81 0.00 0.00 61.98 59.10 3dm6 s VAL 268 Cb -0.10 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 3dm6 s VAL 268 CO 0.36 0.15 -0.12 0.00 -0.31 0.00 0.00 175.10 175.17 3dm6 s TRP 270 N -1.81 0.63 0.47 0.00 0.51 0.29 -5.00 118.94 114.04 3dm6 s TRP 270 Ca 0.01 -1.07 -0.20 0.00 -2.12 0.00 0.00 56.10 52.72 3dm6 s TRP 270 Cb -0.07 -0.36 -0.09 0.00 -0.81 0.00 0.00 33.47 32.13 3dm6 s TRP 270 CO 0.01 -0.50 0.99 1.14 -0.51 0.00 0.00 176.95 178.09 3dm6 s GLN 271 N -3.98 3.98 0.13 4.98 -2.07 -1.26 -0.45 119.66 121.00 3dm6 s GLN 271 Ca 0.16 1.20 -0.28 0.00 -1.82 0.00 0.00 55.36 54.62 3dm6 s GLN 271 Cb 0.07 -2.13 -0.16 0.00 -1.09 0.00 0.00 33.01 29.70 3dm6 s GLN 271 CO -0.03 -0.26 0.60 0.00 -1.32 0.00 0.00 175.29 174.28 3dm6 n ALA 272 N -0.94 -2.86 -0.86 2.60 0.00 -1.26 -1.59 120.51 115.60 3dm6 n ALA 272 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3dm6 n ALA 272 Cb 0.53 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.68 0.00 0.37 0.00 0.00 -1.26 -4.83 105.19 101.15 3dm6 n GLY 273 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 2.05 -1.75 2.61 -2.24 -0.62 -5.04 114.28 107.29 3dm6 n THR 274 Ca 0.00 -2.34 -0.42 0.00 -2.27 0.00 0.00 64.05 59.02 3dm6 n THR 274 Cb 0.35 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 3dm6 n THR 274 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3dm6 s THR 275 N -2.94 2.31 -0.78 4.28 2.01 -1.26 -4.85 115.64 114.41 3dm6 s THR 275 Ca 0.36 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.36 3dm6 s THR 275 Cb 0.31 -3.05 -0.18 0.00 0.01 0.00 0.00 72.50 69.59 3dm6 s THR 275 CO 0.03 0.00 3.24 -0.81 -0.69 0.00 0.00 174.62 176.39 3dm6 n PRO 276 N 4.69 2.77 -0.33 4.92 -0.04 -1.26 -4.72 135.00 141.03 3dm6 n PRO 276 Ca 0.16 -1.56 0.10 0.00 -0.04 0.00 0.00 63.50 62.17 3dm6 n PRO 276 Cb 0.37 -2.38 0.22 0.00 -0.04 0.00 0.00 33.50 31.67 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 4.07 -0.21 0.00 0.54 -0.00 -1.95 -0.68 115.95 117.71 3dm6 h TRP 277 Ca 0.52 0.07 0.00 0.00 -0.00 0.00 0.00 58.89 59.48 3dm6 h TRP 277 Cb 0.88 0.25 0.00 0.00 -0.00 0.00 0.00 29.16 30.29 3dm6 h TRP 277 CO 1.83 -0.40 0.26 -2.95 -0.00 0.00 0.00 178.44 177.18 3dm6 h ASN 278 N 0.02 0.00 0.06 -3.49 -1.07 -2.02 0.53 115.58 109.60 3dm6 h ASN 278 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.90 3dm6 h ASN 278 Cb 0.98 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.23 3dm6 h ASN 278 CO -0.91 0.00 -0.18 2.30 0.07 0.00 0.00 177.43 178.71 3dm6 n ILE 279 N -2.77 0.00 -3.54 6.14 -5.35 -0.26 -4.81 119.36 108.77 3dm6 n ILE 279 Ca -0.02 -0.26 -0.37 0.00 -0.27 0.00 0.00 62.75 61.83 3dm6 n ILE 279 Cb 0.31 0.82 -0.07 0.00 -1.74 0.00 0.00 39.64 38.96 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 -2.25 3.50 0.45 4.28 0.40 0.18 -3.92 117.98 120.62 3dm6 s PHE 280 Ca 0.28 0.65 -0.20 0.00 -0.60 0.00 0.00 56.93 57.06 3dm6 s PHE 280 Cb 0.20 -2.32 -0.10 0.00 0.51 0.00 0.00 43.02 41.30 3dm6 s PHE 280 CO 0.43 0.31 0.97 -1.25 0.70 0.00 0.00 175.22 176.38 3dm6 s PRO 281 N 0.21 4.12 0.47 0.24 0.04 -1.26 -4.72 135.00 134.10 3dm6 s PRO 281 Ca 0.18 1.12 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 3dm6 s PRO 281 Cb -0.13 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 3dm6 s PRO 281 CO 0.05 -0.12 1.04 0.14 0.04 0.00 0.00 177.00 178.15 3dm6 s VAL 282 N -2.24 3.78 -0.07 -0.36 -7.23 -1.26 -4.40 120.40 108.62 3dm6 s VAL 282 Ca 0.62 1.15 0.05 0.00 -1.81 0.00 0.00 61.98 61.99 3dm6 s VAL 282 Cb -0.10 -3.49 -0.01 0.00 0.56 0.00 0.00 36.38 33.34 3dm6 s VAL 282 CO 0.17 -0.20 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.90 3dm6 s ILE 283 N -1.93 2.23 -0.15 -0.62 1.01 -0.12 -1.56 121.20 120.07 3dm6 s ILE 283 Ca 0.66 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3dm6 s ILE 283 Cb -0.17 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.47 3dm6 s ILE 283 CO 0.21 0.57 -0.17 -0.44 0.00 0.00 0.00 174.94 175.11 3dm6 s SER 284 N -0.11 3.52 -0.22 3.58 0.01 0.15 0.11 113.70 120.74 3dm6 s SER 284 Ca -0.05 -0.50 -0.04 0.00 1.31 0.00 0.00 55.95 56.67 3dm6 s SER 284 Cb -0.14 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 3dm6 s SER 284 CO 0.04 0.08 -0.02 -0.76 0.41 0.00 0.00 173.24 172.99 3dm6 s LEU 285 N 0.81 3.00 -0.51 2.44 1.43 0.70 -1.56 118.68 124.98 3dm6 s LEU 285 Ca -0.06 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 3dm6 s LEU 285 Cb -0.15 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.33 3dm6 s LEU 285 CO -0.00 -0.01 0.93 -0.31 0.23 0.00 0.00 176.35 177.18 3dm6 s TYR 286 N 1.44 2.85 0.08 0.29 1.51 0.57 -1.27 117.35 122.82 3dm6 s TYR 286 Ca 0.05 0.14 -0.06 0.00 -1.01 0.00 0.00 57.07 56.19 3dm6 s TYR 286 Cb -0.14 -4.01 -0.05 0.00 -0.11 0.00 0.00 41.96 37.64 3dm6 s TYR 286 CO -0.02 -1.24 0.32 -0.51 -1.11 0.00 0.00 175.55 173.00 3dm6 s LEU 287 N 3.84 4.33 0.32 -1.29 1.43 0.30 0.19 118.68 127.80 3dm6 s LEU 287 Ca 0.33 0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 53.71 3dm6 s LEU 287 Cb -0.12 -3.00 -0.11 0.00 0.03 0.00 0.00 46.19 42.99 3dm6 s LEU 287 CO 0.22 0.15 1.53 -0.32 0.23 0.00 0.00 176.35 178.16 3dm6 s MET 288 N -2.21 4.14 0.35 1.70 -2.45 -0.53 -1.60 119.30 118.70 3dm6 s MET 288 Ca 0.34 2.53 -0.05 0.00 -1.25 0.00 0.00 55.69 57.27 3dm6 s MET 288 Cb -0.13 -3.02 0.08 0.00 1.25 0.00 0.00 34.83 33.01 3dm6 s MET 288 CO 0.21 -0.56 0.48 0.41 1.05 0.00 0.00 175.02 176.61 3dm6 n GLY 289 N 1.53 -0.68 0.01 2.11 0.00 0.19 -4.22 105.19 104.13 3dm6 n GLY 289 Ca 0.05 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.42 3dm6 n GLY 289 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dm6 n GLU 290 N -1.98 0.03 -4.33 1.61 1.02 -1.25 -4.45 120.64 111.30 3dm6 n GLU 290 Ca 0.06 -0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 57.01 3dm6 n GLU 290 Cb 0.23 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 3dm6 n GLU 290 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3dm6 s VAL 291 N -2.98 1.07 -0.05 2.62 -7.23 -1.26 -5.07 120.40 107.49 3dm6 s VAL 291 Ca 0.11 -2.04 -0.33 0.00 -1.81 0.00 0.00 61.98 57.91 3dm6 s VAL 291 Cb 0.17 -2.34 -0.11 0.00 0.56 0.00 0.00 36.38 34.67 3dm6 s VAL 291 CO 0.70 -0.33 1.90 0.41 -0.31 0.00 0.00 175.10 177.47 3dm6 n THR 292 N -0.42 0.62 -2.06 5.32 -1.04 -1.26 -2.05 114.28 113.39 3dm6 n THR 292 Ca -0.05 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.05 61.72 3dm6 n THR 292 Cb 0.64 -1.99 -0.02 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 6.83 -4.18 -4.29 8.00 5.03 -1.26 -5.00 115.26 120.39 3dm6 n ASN 293 Ca 0.22 0.06 -0.32 0.00 0.87 0.00 0.00 54.58 55.40 3dm6 n ASN 293 Cb 0.32 -3.26 -0.16 0.00 -1.02 0.00 0.00 39.78 35.67 3dm6 n ASN 293 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3dm6 s GLN 294 N -4.32 3.17 0.19 3.52 -0.44 -0.87 -2.23 119.66 118.67 3dm6 s GLN 294 Ca 0.00 -0.80 0.02 0.00 -2.50 0.00 0.00 55.36 52.08 3dm6 s GLN 294 Cb 0.00 -2.44 0.02 0.00 -1.64 0.00 0.00 33.01 28.95 3dm6 s GLN 294 CO 0.00 0.21 0.16 0.43 0.50 0.00 0.00 175.29 176.58 3dm6 n SER 295 N 3.49 1.48 -3.68 6.67 7.64 -0.98 0.53 113.62 128.75 3dm6 n SER 295 Ca -0.19 -1.62 -0.08 0.00 1.01 0.00 0.00 58.87 57.99 3dm6 n SER 295 Cb 0.53 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 3dm6 n SER 295 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3dm6 s PHE 296 N -0.83 -0.00 0.03 1.43 -0.12 -0.63 -3.42 117.98 114.45 3dm6 s PHE 296 Ca 0.12 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.55 3dm6 s PHE 296 Cb -0.01 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 3dm6 s PHE 296 CO 0.07 -1.26 -0.09 -0.98 -0.05 0.00 0.00 175.22 172.91 3dm6 s ARG 297 N -3.60 0.61 -0.10 1.99 1.70 0.17 -0.54 118.95 119.18 3dm6 s ARG 297 Ca 0.14 -0.66 -0.01 0.00 -0.47 0.00 0.00 55.73 54.73 3dm6 s ARG 297 Cb -0.05 -0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 33.82 3dm6 s ARG 297 CO 0.09 0.11 -0.05 0.96 -1.08 0.00 0.00 175.30 175.32 3dm6 s ILE 298 N -1.02 3.85 -0.11 4.99 -4.36 -0.40 -0.49 121.20 123.67 3dm6 s ILE 298 Ca -0.05 -0.41 0.00 0.00 -0.26 0.00 0.00 60.65 59.94 3dm6 s ILE 298 Cb -0.08 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.99 3dm6 s ILE 298 CO 0.01 0.57 -0.11 -0.89 0.24 0.00 0.00 174.94 174.76 3dm6 s THR 299 N -0.47 3.30 -0.17 8.37 2.01 -0.08 -0.22 115.64 128.38 3dm6 s THR 299 Ca 0.07 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.48 3dm6 s THR 299 Cb -0.12 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 70.03 3dm6 s THR 299 CO 0.02 0.55 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.71 3dm6 s ILE 300 N -0.07 2.54 0.65 1.82 1.01 0.30 -3.42 121.20 124.02 3dm6 s ILE 300 Ca -0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 3dm6 s ILE 300 Cb -0.14 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 3dm6 s ILE 300 CO 0.03 0.51 1.03 -0.76 0.00 0.00 0.00 174.94 175.76 3dm6 s LEU 301 N 1.08 3.11 0.44 2.97 1.43 -1.26 -0.94 118.68 125.51 3dm6 s LEU 301 Ca -0.00 1.21 0.14 0.00 -1.03 0.00 0.00 54.13 54.45 3dm6 s LEU 301 Cb -0.14 -4.12 0.99 0.00 0.03 0.00 0.00 46.19 42.95 3dm6 s LEU 301 CO -0.05 -1.07 1.99 -0.65 0.23 0.00 0.00 176.35 176.80 3dm6 h PRO 302 N -0.42 0.01 0.00 1.29 0.11 -1.85 -0.36 132.00 130.78 3dm6 h PRO 302 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dm6 h PRO 302 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dm6 h PRO 302 CO 0.63 0.19 0.01 1.04 -0.21 0.00 0.00 178.00 179.65 3dm6 n GLN 303 N -4.32 0.08 -0.09 1.05 3.00 -1.26 -1.71 117.38 114.12 3dm6 n GLN 303 Ca -0.02 0.58 -0.16 0.00 -0.01 0.00 0.00 57.00 57.38 3dm6 n GLN 303 Cb 0.24 -1.77 -0.13 0.00 0.00 0.00 0.00 30.24 28.58 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 -1.93 0.68 -0.36 -1.09 6.02 -0.15 -4.52 117.38 116.03 3dm6 n GLN 304 Ca -0.01 0.15 0.09 0.00 -0.01 0.00 0.00 57.00 57.23 3dm6 n GLN 304 Cb 0.03 -1.58 0.28 0.00 1.02 0.00 0.00 30.24 29.99 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 -3.19 0.91 -3.96 1.08 0.18 -1.00 -4.60 117.16 106.57 3dm6 n TYR 305 Ca -0.39 -0.53 -0.31 0.00 1.88 0.00 0.00 57.90 58.55 3dm6 n TYR 305 Cb 1.04 -0.06 -0.15 0.00 -0.38 0.00 0.00 39.34 39.79 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 -1.22 4.31 0.16 -3.48 1.43 -0.69 -0.33 118.68 118.86 3dm6 s LEU 306 Ca 0.41 -2.22 -0.30 0.00 -1.03 0.00 0.00 54.13 50.99 3dm6 s LEU 306 Cb 0.23 -1.51 -0.07 0.00 0.03 0.00 0.00 46.19 44.87 3dm6 s LEU 306 CO 0.26 -0.36 0.98 -0.60 0.23 0.00 0.00 176.35 176.85 3dm6 s ARG 307 N 0.81 4.73 -0.04 1.70 3.52 0.56 -4.76 118.95 125.47 3dm6 s ARG 307 Ca 0.12 1.51 -0.27 0.00 -0.13 0.00 0.00 55.73 56.96 3dm6 s ARG 307 Cb -0.20 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 3dm6 s ARG 307 CO -0.09 0.28 0.88 -1.25 -0.81 0.00 0.00 175.30 174.31 3dm6 s PRO 308 N -0.44 4.49 0.01 5.12 0.05 -1.26 0.18 135.00 143.15 3dm6 s PRO 308 Ca 0.45 1.20 0.08 0.00 0.05 0.00 0.00 61.00 62.79 3dm6 s PRO 308 Cb -0.25 -3.47 -0.02 0.00 0.05 0.00 0.00 34.50 30.80 3dm6 s PRO 308 CO 0.31 -0.05 -0.26 0.08 0.05 0.00 0.00 177.00 177.14 3dm6 s VAL 309 N 1.10 2.04 0.85 -0.36 1.01 -0.42 -4.91 120.40 119.70 3dm6 s VAL 309 Ca 0.46 -1.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3dm6 s VAL 309 Cb -0.19 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.49 3dm6 s VAL 309 CO 0.23 0.48 0.57 1.21 0.00 0.00 0.00 175.10 177.59 3dm6 n GLU 310 N 2.17 -0.01 -0.03 2.72 4.07 -1.26 -4.37 120.64 123.93 3dm6 n GLU 310 Ca -0.16 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 3dm6 n GLU 310 Cb 0.52 -1.94 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 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 -1.26 -2.04 -2.84 4.31 2.88 -1.26 -5.06 113.62 108.34 3dm6 n SER 315 Ca 0.09 0.01 -0.20 0.00 -1.33 0.00 0.00 58.87 57.44 3dm6 n SER 315 Cb 0.52 0.90 -0.01 0.00 -0.75 0.00 0.00 64.21 64.86 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 -0.48 2.09 -4.02 -1.46 6.02 -1.26 -5.09 117.38 113.19 3dm6 n GLN 316 Ca 0.00 -3.95 -0.26 0.00 -0.01 0.00 0.00 57.00 52.78 3dm6 n GLN 316 Cb 0.00 -1.84 -0.04 0.00 1.02 0.00 0.00 30.24 29.38 3dm6 n GLN 316 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dm6 s ASP 317 N -3.10 5.90 -0.27 1.08 -0.00 -1.26 -4.32 116.67 114.70 3dm6 s ASP 317 Ca 0.41 -0.00 -0.22 0.00 -0.00 0.00 0.00 52.55 52.73 3dm6 s ASP 317 Cb 0.37 -1.65 -0.01 0.00 -0.00 0.00 0.00 42.92 41.63 3dm6 s ASP 317 CO -0.09 0.05 0.72 -1.81 -0.00 0.00 0.00 175.17 174.04 3dm6 s ASP 318 N -3.26 6.66 0.09 0.27 1.01 0.41 -4.92 116.67 116.92 3dm6 s ASP 318 Ca 0.33 0.75 0.06 0.00 0.71 0.00 0.00 52.55 54.40 3dm6 s ASP 318 Cb -0.10 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 3dm6 s ASP 318 CO 0.26 -0.48 -0.16 0.00 0.21 0.00 0.00 175.17 175.00 3dm6 s TYR 320 N -1.45 0.02 -0.02 0.00 1.51 -0.53 -1.30 117.35 115.58 3dm6 s TYR 320 Ca 0.02 -0.04 -0.05 0.00 -1.01 0.00 0.00 57.07 56.00 3dm6 s TYR 320 Cb -0.09 -0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 3dm6 s TYR 320 CO 0.03 -0.02 0.20 0.21 -1.11 0.00 0.00 175.55 174.86 3dm6 s LYS 321 N -0.12 3.49 -0.33 -0.62 2.20 0.13 -2.47 119.74 122.01 3dm6 s LYS 321 Ca -0.01 -0.21 -0.28 0.00 -0.36 0.00 0.00 55.97 55.11 3dm6 s LYS 321 Cb -0.01 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.22 3dm6 s LYS 321 CO -0.00 0.69 1.03 0.12 -0.36 0.00 0.00 175.35 176.83 3dm6 s PHE 322 N -1.26 3.13 -0.50 4.03 5.36 -1.26 -0.32 117.98 127.16 3dm6 s PHE 322 Ca 0.25 1.09 0.03 0.00 -0.96 0.00 0.00 56.93 57.33 3dm6 s PHE 322 Cb -0.13 -3.68 0.54 0.00 -0.34 0.00 0.00 43.02 39.41 3dm6 s PHE 322 CO 0.15 -0.78 1.83 0.00 -1.46 0.00 0.00 175.22 174.96 3dm6 n ALA 323 N 6.84 5.66 -3.60 11.12 0.00 0.55 -4.55 120.51 136.54 3dm6 n ALA 323 Ca 0.11 -3.25 -0.29 0.00 0.00 0.00 0.00 53.44 50.00 3dm6 n ALA 323 Cb 0.47 -1.37 -0.17 0.00 0.00 0.00 0.00 19.45 18.39 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 -4.02 1.63 0.13 0.00 1.01 -1.26 -2.47 121.20 116.23 3dm6 s ILE 324 Ca 0.58 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 3dm6 s ILE 324 Cb 0.47 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3dm6 s ILE 324 CO 0.04 0.47 0.03 -0.94 0.00 0.00 0.00 174.94 174.53 3dm6 s SER 325 N 0.86 0.55 0.53 3.58 1.04 -0.43 -4.91 113.70 114.92 3dm6 s SER 325 Ca -0.09 -1.16 -0.16 0.00 0.48 0.00 0.00 55.95 55.02 3dm6 s SER 325 Cb -0.15 0.24 -0.07 0.00 0.10 0.00 0.00 66.02 66.13 3dm6 s SER 325 CO -0.00 -0.67 0.99 -1.58 0.98 0.00 0.00 173.24 172.96 3dm6 s GLN 326 N -3.99 3.91 0.05 4.02 0.74 -1.26 -0.71 119.66 122.41 3dm6 s GLN 326 Ca 0.21 0.93 -0.13 0.00 0.05 0.00 0.00 55.36 56.43 3dm6 s GLN 326 Cb 0.07 -2.13 0.02 0.00 1.10 0.00 0.00 33.01 32.07 3dm6 s GLN 326 CO 0.00 -0.31 0.28 0.45 -0.55 0.00 0.00 175.29 175.16 3dm6 s SER 327 N -3.19 -0.08 -0.08 6.67 0.15 -0.04 -4.63 113.70 112.50 3dm6 s SER 327 Ca 0.58 -0.25 0.11 0.00 0.70 0.00 0.00 55.95 57.10 3dm6 s SER 327 Cb -0.10 0.34 0.17 0.00 -1.71 0.00 0.00 66.02 64.73 3dm6 s SER 327 CO 0.34 -0.61 1.06 -1.54 1.20 0.00 0.00 173.24 173.69 3dm6 n SER 328 N 0.56 1.77 -0.09 5.45 3.41 -1.26 -2.94 113.62 120.52 3dm6 n SER 328 Ca -0.18 -2.60 0.05 0.00 -0.26 0.00 0.00 58.87 55.88 3dm6 n SER 328 Cb 0.59 -0.29 0.08 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.95 1.34 0.00 6.66 -2.24 -1.26 -4.85 114.28 112.98 3dm6 n THR 329 Ca 0.10 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 3dm6 n THR 329 Cb 0.57 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.94 0.87 3.77 3.38 0.00 -1.23 -4.30 105.19 106.74 3dm6 n GLY 330 Ca 0.09 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.22 3.54 -0.16 2.61 2.01 0.18 -4.54 115.64 118.06 3dm6 s THR 331 Ca 0.00 1.32 -0.00 0.00 0.31 0.00 0.00 61.69 63.32 3dm6 s THR 331 Cb 0.00 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.79 3dm6 s THR 331 CO 0.00 0.15 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.33 3dm6 s VAL 332 N -1.43 1.15 -0.83 3.82 1.01 -0.55 -1.74 120.40 121.82 3dm6 s VAL 332 Ca 0.53 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 3dm6 s VAL 332 Cb -0.27 -1.29 0.11 0.00 0.00 0.00 0.00 36.38 34.94 3dm6 s VAL 332 CO 0.34 0.19 1.05 -0.04 0.00 0.00 0.00 175.10 176.64 3dm6 s MET 333 N 1.62 3.43 0.00 2.72 -1.94 0.57 -1.62 119.30 124.08 3dm6 s MET 333 Ca 0.01 -1.48 0.00 0.00 -1.71 0.00 0.00 55.69 52.51 3dm6 s MET 333 Cb -0.15 -4.69 0.00 0.00 2.01 0.00 0.00 34.83 32.01 3dm6 s MET 333 CO -0.08 -1.77 0.00 0.41 -0.01 0.00 0.00 175.02 173.57 3dm6 n GLY 334 N 5.43 -0.71 0.37 -0.03 0.00 -0.84 -1.87 105.19 107.55 3dm6 n GLY 334 Ca 0.14 -1.68 0.13 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 -1.88 1.95 -0.61 4.61 0.00 -0.77 -0.81 119.26 121.75 3dm6 h ALA 335 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3dm6 h ALA 335 Cb 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 17.57 3dm6 h ALA 335 CO 0.00 -0.17 -0.18 0.28 0.00 0.00 0.00 179.25 179.19 3dm6 h VAL 336 N 0.58 0.35 0.05 0.00 2.07 -1.54 0.16 116.25 117.91 3dm6 h VAL 336 Ca 0.41 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.70 3dm6 h VAL 336 Cb 0.75 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3dm6 h VAL 336 CO -0.16 0.00 -1.06 0.40 0.02 0.00 0.00 177.57 176.77 3dm6 h ILE 337 N -0.02 1.58 0.00 4.57 1.08 -1.67 -3.35 117.51 119.69 3dm6 h ILE 337 Ca 0.29 -3.08 -0.13 0.00 -0.39 0.00 0.00 64.86 61.55 3dm6 h ILE 337 Cb 0.47 2.79 -0.02 0.00 -3.07 0.00 0.00 36.82 36.99 3dm6 h ILE 337 CO -0.64 0.89 -0.70 0.24 -0.69 0.00 0.00 178.15 177.25 3dm6 h MET 338 N 0.06 0.00 -0.44 2.37 2.86 -0.17 -3.38 114.93 116.23 3dm6 h MET 338 Ca -0.07 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3dm6 h MET 338 Cb 1.78 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.42 3dm6 h MET 338 CO 0.16 0.51 0.17 0.93 1.06 0.00 0.00 176.91 179.74 3dm6 h GLU 339 N 0.00 0.65 -0.52 1.72 5.08 -0.87 -2.27 114.58 118.38 3dm6 h GLU 339 Ca -0.03 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3dm6 h GLU 339 Cb 1.45 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.50 3dm6 h GLU 339 CO 0.07 0.61 -0.48 0.78 -1.00 0.00 0.00 179.01 178.98 3dm6 h GLY 340 N 0.56 -0.68 -2.23 -3.84 0.00 -1.77 -3.40 103.07 91.71 3dm6 h GLY 340 Ca 0.14 0.63 -0.46 0.00 0.00 0.00 0.00 47.33 47.64 3dm6 h GLY 340 CO -0.01 -0.14 -0.09 -1.36 0.00 0.00 0.00 176.54 174.94 3dm6 s PHE 341 N -5.76 3.22 -0.36 5.60 0.40 -0.86 -3.24 117.98 116.99 3dm6 s PHE 341 Ca -0.14 0.24 -0.19 0.00 -0.60 0.00 0.00 56.93 56.24 3dm6 s PHE 341 Cb 0.11 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.33 3dm6 s PHE 341 CO 0.64 -0.36 0.55 -0.47 0.70 0.00 0.00 175.22 176.28 3dm6 s TYR 342 N -2.56 3.16 -0.26 0.36 5.04 0.24 -4.28 117.35 119.06 3dm6 s TYR 342 Ca 0.48 0.16 -0.05 0.00 -2.44 0.00 0.00 57.07 55.22 3dm6 s TYR 342 Cb -0.10 -3.01 -0.00 0.00 0.35 0.00 0.00 41.96 39.20 3dm6 s TYR 342 CO 0.38 -0.60 0.03 0.08 -1.34 0.00 0.00 175.55 174.10 3dm6 s VAL 343 N 2.48 3.74 -0.28 3.14 1.01 -0.72 -1.44 120.40 128.34 3dm6 s VAL 343 Ca 0.20 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3dm6 s VAL 343 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3dm6 s VAL 343 CO 0.14 0.23 0.17 -0.69 0.00 0.00 0.00 175.10 174.96 3dm6 s VAL 344 N 1.49 5.11 -0.94 2.92 1.01 0.51 0.33 120.40 130.83 3dm6 s VAL 344 Ca 0.04 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 3dm6 s VAL 344 Cb -0.16 -3.45 0.22 0.00 0.00 0.00 0.00 36.38 32.99 3dm6 s VAL 344 CO 0.00 0.23 0.94 -0.36 0.00 0.00 0.00 175.10 175.92 3dm6 s PHE 345 N 1.73 3.80 -1.21 5.22 0.08 0.35 0.00 117.98 127.95 3dm6 s PHE 345 Ca 0.07 -2.11 -0.13 0.00 0.12 0.00 0.00 56.93 54.88 3dm6 s PHE 345 Cb -0.16 -3.91 0.18 0.00 -0.57 0.00 0.00 43.02 38.56 3dm6 s PHE 345 CO 0.10 -1.07 1.44 -3.47 -0.10 0.00 0.00 175.22 172.12 3dm6 n ASP 346 N 4.07 5.26 0.19 1.36 2.03 -0.17 -2.67 116.55 126.61 3dm6 n ASP 346 Ca 0.19 -3.00 -0.15 0.00 0.52 0.00 0.00 54.79 52.36 3dm6 n ASP 346 Cb 0.45 -1.54 -0.08 0.00 -0.72 0.00 0.00 41.12 39.23 3dm6 n ASP 346 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3dm6 h ARG 347 N 6.95 -0.39 -1.23 -0.67 3.08 -1.77 -0.82 114.38 119.53 3dm6 h ARG 347 Ca 0.31 0.03 0.44 0.00 0.07 0.00 0.00 59.98 60.83 3dm6 h ARG 347 Cb 0.85 0.09 -0.15 0.00 0.08 0.00 0.00 29.97 30.84 3dm6 h ARG 347 CO 1.25 -0.24 0.75 0.00 -1.07 0.00 0.00 179.97 180.67 3dm6 h ALA 348 N 0.26 2.55 -0.27 0.04 0.00 -1.73 -0.90 119.26 119.21 3dm6 h ALA 348 Ca -0.04 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3dm6 h ALA 348 Cb 0.33 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3dm6 h ALA 348 CO 0.07 -1.26 0.00 0.54 0.00 0.00 0.00 179.25 178.59 3dm6 n ARG 349 N -4.92 2.83 -3.74 0.00 1.74 -0.88 -4.99 116.66 106.69 3dm6 n ARG 349 Ca 0.39 -2.34 -0.24 0.00 -0.77 0.00 0.00 57.85 54.89 3dm6 n ARG 349 Cb 1.42 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 31.42 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 -0.05 -5.44 -3.66 5.56 4.01 -0.34 -4.92 118.16 113.30 3dm6 n LYS 350 Ca 0.15 0.64 -0.14 0.00 -0.51 0.00 0.00 58.31 58.45 3dm6 n LYS 350 Cb 0.60 -5.37 -0.07 0.00 -0.51 0.00 0.00 35.03 29.68 3dm6 n LYS 350 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 3dm6 s ARG 351 N -6.16 0.87 -0.19 1.97 1.70 -0.62 -0.53 118.95 115.99 3dm6 s ARG 351 Ca 0.25 -0.17 0.01 0.00 -0.47 0.00 0.00 55.73 55.36 3dm6 s ARG 351 Cb -0.12 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.68 3dm6 s ARG 351 CO 0.81 -0.28 -0.19 0.42 -1.08 0.00 0.00 175.30 174.98 3dm6 s ILE 352 N -1.80 2.05 0.15 4.99 1.01 0.30 -1.00 121.20 126.91 3dm6 s ILE 352 Ca -0.09 -1.00 -0.14 0.00 0.00 0.00 0.00 60.65 59.42 3dm6 s ILE 352 Cb -0.02 -1.88 -0.07 0.00 0.01 0.00 0.00 42.46 40.49 3dm6 s ILE 352 CO 0.03 0.48 0.55 -0.83 0.00 0.00 0.00 174.94 175.16 3dm6 s GLY 353 N 1.28 2.44 -0.05 6.18 0.00 0.10 -0.54 107.32 116.73 3dm6 s GLY 353 Ca 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.63 3dm6 s GLY 353 CO -0.12 0.12 -0.10 -1.36 0.00 0.00 0.00 173.10 171.64 3dm6 s PHE 354 N -1.49 1.25 0.23 1.90 0.40 0.12 -0.37 117.98 120.03 3dm6 s PHE 354 Ca 0.38 -0.43 0.07 0.00 -0.60 0.00 0.00 56.93 56.36 3dm6 s PHE 354 Cb -0.15 -0.94 -0.05 0.00 0.51 0.00 0.00 43.02 42.40 3dm6 s PHE 354 CO 0.19 -0.23 -0.09 0.00 0.70 0.00 0.00 175.22 175.79 3dm6 s ALA 355 N 0.64 2.09 0.42 5.36 0.00 -0.52 -1.07 121.76 128.68 3dm6 s ALA 355 Ca -0.12 -1.76 -0.25 0.00 0.00 0.00 0.00 51.96 49.83 3dm6 s ALA 355 Cb -0.15 0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 3dm6 s ALA 355 CO 0.03 -0.03 1.23 0.14 0.00 0.00 0.00 175.76 177.12 3dm6 s VAL 356 N -3.06 2.87 0.30 0.00 -7.23 -1.24 0.83 120.40 112.86 3dm6 s VAL 356 Ca 0.26 0.73 0.01 0.00 -1.81 0.00 0.00 61.98 61.17 3dm6 s VAL 356 Cb 0.02 -3.41 -0.03 0.00 0.56 0.00 0.00 36.38 33.52 3dm6 s VAL 356 CO 0.09 0.06 0.48 -0.55 -0.31 0.00 0.00 175.10 174.87 3dm6 s SER 357 N -1.01 6.32 0.16 4.85 0.15 -1.20 -2.13 113.70 120.84 3dm6 s SER 357 Ca 0.59 0.35 -0.15 0.00 0.70 0.00 0.00 55.95 57.44 3dm6 s SER 357 Cb -0.34 -1.99 0.04 0.00 -1.71 0.00 0.00 66.02 62.03 3dm6 s SER 357 CO 0.42 -0.20 1.82 0.00 1.20 0.00 0.00 173.24 176.49 3dm6 h ALA 358 N 1.06 0.58 -0.08 5.45 0.00 -1.85 -2.57 119.26 121.83 3dm6 h ALA 358 Ca -0.50 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3dm6 h ALA 358 Cb 1.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3dm6 h ALA 358 CO 0.62 0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.94 3dm6 s HIS 360 N -0.36 2.17 -0.19 0.00 -0.00 -0.97 -4.65 115.29 111.28 3dm6 s HIS 360 Ca 0.05 1.30 -0.29 0.00 -0.00 0.00 0.00 55.06 56.12 3dm6 s HIS 360 Cb 0.04 -3.17 -0.01 0.00 -0.00 0.00 0.00 32.58 29.44 3dm6 s HIS 360 CO 0.01 -2.56 1.28 0.14 -0.00 0.00 0.00 174.74 173.61 3dm6 s VAL 361 N -2.86 4.23 0.06 -5.38 -7.23 -1.26 -5.02 120.40 102.94 3dm6 s VAL 361 Ca 0.64 1.47 -0.10 0.00 -1.81 0.00 0.00 61.98 62.18 3dm6 s VAL 361 Cb -0.19 -4.01 -0.06 0.00 0.56 0.00 0.00 36.38 32.68 3dm6 s VAL 361 CO 0.58 -0.20 0.39 -1.00 -0.31 0.00 0.00 175.10 174.56 3dm6 s HIS 362 N 3.71 3.60 -0.29 2.82 3.76 -1.26 -4.42 115.29 123.21 3dm6 s HIS 362 Ca 0.56 0.80 -0.16 0.00 -0.15 0.00 0.00 55.06 56.11 3dm6 s HIS 362 Cb -0.21 -2.16 0.16 0.00 1.11 0.00 0.00 32.58 31.48 3dm6 s HIS 362 CO 0.17 0.54 1.03 0.34 -0.85 0.00 0.00 174.74 175.97 3dm6 s ASP 363 N -1.66 -0.43 0.00 1.40 -1.08 -1.26 -5.05 116.67 108.59 3dm6 s ASP 363 Ca 0.31 0.67 0.07 0.00 -0.52 0.00 0.00 52.55 53.08 3dm6 s ASP 363 Cb -0.14 1.25 0.42 0.00 -1.46 0.00 0.00 42.92 42.99 3dm6 s ASP 363 CO 0.17 -0.10 0.84 -1.84 0.52 0.00 0.00 175.17 174.76 3dm6 n GLU 364 N 3.84 0.28 0.02 4.34 0.28 -1.26 -3.81 120.64 124.32 3dm6 n GLU 364 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 3dm6 n GLU 364 Cb 0.56 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 32.03 3dm6 n GLU 364 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3dm6 n PHE 365 N -0.90 -0.03 -3.75 -1.84 3.01 -1.26 -5.10 117.46 107.59 3dm6 n PHE 365 Ca 0.05 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.18 3dm6 n PHE 365 Cb 0.02 0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.46 3dm6 n PHE 365 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3dm6 s ARG 366 N -1.37 3.58 -0.01 -1.08 0.52 -1.25 -5.12 118.95 114.22 3dm6 s ARG 366 Ca 0.00 -0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.16 3dm6 s ARG 366 Cb 0.00 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 3dm6 s ARG 366 CO 0.00 0.60 -0.19 0.99 0.02 0.00 0.00 175.30 176.72 3dm6 s THR 367 N -1.40 1.53 0.24 0.02 2.01 -1.26 -4.33 115.64 112.44 3dm6 s THR 367 Ca 0.31 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 3dm6 s THR 367 Cb -0.13 -1.28 -0.10 0.00 0.01 0.00 0.00 72.50 71.01 3dm6 s THR 367 CO 0.19 0.42 1.38 0.00 -0.69 0.00 0.00 174.62 175.92 3dm6 s ALA 368 N -0.47 3.58 -0.06 7.40 0.00 -1.26 -4.93 121.76 126.01 3dm6 s ALA 368 Ca 0.07 1.25 -0.17 0.00 0.00 0.00 0.00 51.96 53.11 3dm6 s ALA 368 Cb -0.08 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.56 3dm6 s ALA 368 CO -0.01 -0.66 0.39 0.00 0.00 0.00 0.00 175.76 175.48 3dm6 s ALA 369 N -0.09 -0.99 -0.35 0.00 0.00 -1.22 -4.96 121.76 114.15 3dm6 s ALA 369 Ca 0.57 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 53.07 3dm6 s ALA 369 Cb -0.40 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 3dm6 s ALA 369 CO 0.43 -0.26 0.54 0.08 0.00 0.00 0.00 175.76 176.55 3dm6 s VAL 370 N -0.83 4.99 0.05 0.00 1.01 -1.26 -0.90 120.40 123.46 3dm6 s VAL 370 Ca -0.09 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.31 3dm6 s VAL 370 Cb -0.04 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3dm6 s VAL 370 CO 0.04 -0.23 -0.07 -1.61 0.00 0.00 0.00 175.10 173.23 3dm6 s GLU 371 N 2.46 0.54 0.00 2.72 2.02 0.35 -4.85 118.70 121.95 3dm6 s GLU 371 Ca 0.20 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.36 3dm6 s GLU 371 Cb -0.15 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.85 3dm6 s GLU 371 CO 0.13 0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.85 3dm6 n GLY 372 N 1.25 -1.87 3.91 -1.39 0.00 -1.26 -0.66 105.19 105.17 3dm6 n GLY 372 Ca -0.21 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.71 3.28 0.36 1.61 0.05 -1.26 -5.09 135.00 132.24 3dm6 s PRO 373 Ca 0.00 0.10 0.04 0.00 0.05 0.00 0.00 61.00 61.19 3dm6 s PRO 373 Cb 0.00 -2.34 -0.01 0.00 0.05 0.00 0.00 34.50 32.20 3dm6 s PRO 373 CO 0.00 -0.41 0.14 1.19 0.05 0.00 0.00 177.00 177.97 3dm6 n PHE 374 N -2.39 0.10 -4.04 0.56 3.01 -1.22 -4.97 117.46 108.50 3dm6 n PHE 374 Ca 0.02 -2.36 -0.13 0.00 1.01 0.00 0.00 57.45 56.00 3dm6 n PHE 374 Cb 0.56 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.91 3dm6 n PHE 374 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3dm6 s VAL 375 N -2.94 0.34 0.05 -4.37 1.01 -1.26 -2.33 120.40 110.91 3dm6 s VAL 375 Ca 0.19 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3dm6 s VAL 375 Cb 0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 3dm6 s VAL 375 CO 0.14 -0.24 0.05 0.35 0.00 0.00 0.00 175.10 175.39 3dm6 n THR 376 N 2.05 0.00 -2.29 3.92 -2.24 -0.95 -4.94 114.28 109.83 3dm6 n THR 376 Ca -0.19 -0.36 -0.04 0.00 -2.27 0.00 0.00 64.05 61.19 3dm6 n THR 376 Cb 0.56 0.19 0.07 0.00 -2.10 0.00 0.00 70.33 69.05 3dm6 n THR 376 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3dm6 n LEU 377 N 0.00 2.55 0.00 3.22 7.99 -1.26 -4.83 117.00 124.67 3dm6 n LEU 377 Ca 0.01 -3.42 0.00 0.00 -0.01 0.00 0.00 56.01 52.59 3dm6 n LEU 377 Cb 0.09 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 3dm6 n LEU 377 CO 0.05 1.27 0.00 -0.67 -1.51 0.00 0.00 177.39 176.52 3dm6 n ASP 381 N -0.48 0.00 0.00 -1.43 2.03 -1.26 -5.13 116.55 110.29 3dm6 n ASP 381 Ca 0.19 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.64 3dm6 n ASP 381 Cb 0.90 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 41.87 3dm6 n ASP 381 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dm6 s GLY 383 N -3.02 2.66 -0.06 0.00 0.00 -1.26 -3.82 107.32 101.82 3dm6 s GLY 383 Ca 0.13 0.68 -0.18 0.00 0.00 0.00 0.00 44.72 45.36 3dm6 s GLY 383 CO 0.56 1.07 0.49 -0.47 0.00 0.00 0.00 173.10 174.75 3dm6 s TYR 384 N -1.77 3.62 0.00 1.90 5.04 -1.26 -4.91 117.35 119.97 3dm6 s TYR 384 Ca 0.62 1.00 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 3dm6 s TYR 384 Cb -0.20 -2.50 0.00 0.00 0.35 0.00 0.00 41.96 39.61 3dm6 s TYR 384 CO 0.25 0.35 0.39 0.09 -1.34 0.00 0.00 175.55 175.29