#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 -0.10 0.66 0.99 -1.26 -4.89 117.46 112.87 3dm6 n PHE 47 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 3dm6 n PHE 47 Cb 0.00 0.00 0.47 0.00 -1.00 0.00 0.00 39.48 38.95 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 0.92 0.00 -4.37 -1.51 -2.00 0.30 116.25 109.60 3dm6 h VAL 48 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3dm6 h VAL 48 Cb 0.00 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 29.57 3dm6 h VAL 48 CO 0.00 0.09 0.00 -0.33 -1.23 0.00 0.00 177.57 176.10 3dm6 h GLU 1 N 0.48 0.00 0.00 5.19 5.08 -1.96 -3.10 114.58 120.26 3dm6 h GLU 1 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3dm6 h GLU 1 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3dm6 h GLU 1 CO -0.08 0.00 -1.12 -1.33 -1.00 0.00 0.00 179.01 175.48 3dm6 n MET 2 N -2.53 1.56 -1.75 2.33 2.81 0.10 -4.73 117.12 114.92 3dm6 n MET 2 Ca -0.01 -0.06 -0.40 0.00 -1.81 0.00 0.00 57.70 55.41 3dm6 n MET 2 Cb 0.10 -1.19 0.02 0.00 -0.71 0.00 0.00 33.22 31.44 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 -1.64 2.66 -1.77 2.03 0.31 -0.86 -2.90 118.33 116.16 3dm6 n VAL 3 Ca -0.00 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.64 3dm6 n VAL 3 Cb 0.26 -1.80 -0.06 0.00 -0.91 0.00 0.00 33.84 31.33 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 -0.03 -5.34 0.00 4.52 9.92 -1.17 -4.89 116.55 119.56 3dm6 n ASP 4 Ca 0.05 0.34 0.13 0.00 -0.53 0.00 0.00 54.79 54.78 3dm6 n ASP 4 Cb 0.41 -4.48 0.74 0.00 -0.64 0.00 0.00 41.12 37.14 3dm6 n ASP 4 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3dm6 n ASN 5 N -1.22 0.00 -4.50 -2.24 0.23 -0.79 -4.74 115.26 102.00 3dm6 n ASN 5 Ca -0.20 -0.49 -0.33 0.00 -0.53 0.00 0.00 54.58 53.03 3dm6 n ASN 5 Cb 0.64 -0.14 -0.12 0.00 -2.08 0.00 0.00 39.78 38.08 3dm6 n ASN 5 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3dm6 s LEU 6 N -2.27 2.99 0.32 -4.53 1.43 0.07 -4.42 118.68 112.28 3dm6 s LEU 6 Ca 0.33 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 3dm6 s LEU 6 Cb 0.18 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 3dm6 s LEU 6 CO 0.35 0.28 0.06 -0.13 0.23 0.00 0.00 176.35 177.14 3dm6 s ARG 7 N -0.29 1.63 0.00 1.70 0.52 -0.98 -1.20 118.95 120.33 3dm6 s ARG 7 Ca 0.03 -1.90 0.00 0.00 -0.52 0.00 0.00 55.73 53.34 3dm6 s ARG 7 Cb -0.13 -0.81 0.00 0.00 0.52 0.00 0.00 34.95 34.53 3dm6 s ARG 7 CO 0.03 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.56 3dm6 n GLY 8 N -0.67 1.61 3.72 -3.53 0.00 -1.26 -1.30 105.19 103.76 3dm6 n GLY 8 Ca -0.02 0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3dm6 n GLY 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dm6 n LYS 9 N 0.00 2.65 -1.53 1.61 4.81 -1.26 -4.61 118.16 119.83 3dm6 n LYS 9 Ca 0.00 0.95 -0.39 0.00 -0.87 0.00 0.00 58.31 58.00 3dm6 n LYS 9 Cb 0.00 -2.75 -0.07 0.00 0.02 0.00 0.00 35.03 32.23 3dm6 n LYS 9 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3dm6 n SER 10 N 3.05 1.71 0.00 3.14 2.88 -1.26 -2.31 113.62 120.83 3dm6 n SER 10 Ca 0.13 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 3dm6 n SER 10 Cb 0.35 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 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 6.20 1.75 0.07 0.46 0.00 -1.26 -4.99 105.19 107.41 3dm6 n GLY 11 Ca 0.46 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.35 0.91 0.00 1.61 6.02 -0.98 -5.09 117.38 119.49 3dm6 n GLN 12 Ca 0.00 -0.97 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 3dm6 n GLN 12 Cb 0.00 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 30.56 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 -0.23 2.63 3.84 1.08 0.00 -1.26 -4.96 105.19 106.29 3dm6 n GLY 13 Ca 0.01 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.02 3.71 0.05 1.61 1.51 -1.26 -4.49 117.35 116.46 3dm6 s TYR 14 Ca 0.00 0.93 -0.00 0.00 -1.01 0.00 0.00 57.07 56.99 3dm6 s TYR 14 Cb 0.00 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 3dm6 s TYR 14 CO 0.00 0.64 -0.04 1.52 -1.11 0.00 0.00 175.55 176.57 3dm6 s TYR 15 N -1.02 0.50 0.10 2.71 -0.85 -0.42 -0.27 117.35 118.10 3dm6 s TYR 15 Ca 0.23 -0.87 0.08 0.00 -0.52 0.00 0.00 57.07 55.99 3dm6 s TYR 15 Cb -0.16 -0.35 -0.03 0.00 0.38 0.00 0.00 41.96 41.80 3dm6 s TYR 15 CO 0.12 -0.28 -0.21 0.54 -1.52 0.00 0.00 175.55 174.20 3dm6 s VAL 16 N -3.04 1.74 0.23 -3.49 0.11 0.63 -2.32 120.40 114.24 3dm6 s VAL 16 Ca 0.00 -1.54 -0.29 0.00 -2.93 0.00 0.00 61.98 57.22 3dm6 s VAL 16 Cb 0.02 -1.58 -0.09 0.00 -1.53 0.00 0.00 36.38 33.20 3dm6 s VAL 16 CO -0.06 -0.04 0.90 -0.70 -3.33 0.00 0.00 175.10 171.87 3dm6 s GLU 17 N -1.88 4.79 0.05 1.54 2.12 -1.26 0.59 118.70 124.64 3dm6 s GLU 17 Ca 0.07 1.41 -0.07 0.00 0.36 0.00 0.00 54.97 56.74 3dm6 s GLU 17 Cb -0.10 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 3dm6 s GLU 17 CO 0.04 0.53 0.14 -1.64 -0.54 0.00 0.00 175.26 173.79 3dm6 s MET 18 N -1.20 0.69 -0.04 4.30 -1.94 0.15 -4.22 119.30 117.04 3dm6 s MET 18 Ca 0.40 -0.81 0.06 0.00 -1.71 0.00 0.00 55.69 53.64 3dm6 s MET 18 Cb -0.25 0.27 -0.01 0.00 2.01 0.00 0.00 34.83 36.85 3dm6 s MET 18 CO 0.30 -0.19 -0.22 0.95 -0.01 0.00 0.00 175.02 175.85 3dm6 s THR 19 N -3.02 1.81 -0.05 2.05 -4.23 -0.96 0.07 115.64 111.31 3dm6 s THR 19 Ca -0.01 -0.95 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 3dm6 s THR 19 Cb 0.01 -1.53 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 3dm6 s THR 19 CO -0.06 0.51 -0.18 0.68 -0.54 0.00 0.00 174.62 175.03 3dm6 s VAL 20 N -0.24 1.50 0.00 2.29 -7.23 -0.73 -2.38 120.40 113.60 3dm6 s VAL 20 Ca 0.01 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 3dm6 s VAL 20 Cb -0.11 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.53 3dm6 s VAL 20 CO 0.02 0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 3dm6 n GLY 21 N 3.22 1.26 2.95 2.32 0.00 -0.48 -0.53 105.19 113.92 3dm6 n GLY 21 Ca -0.19 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.27 3.00 0.59 1.61 0.01 -1.26 -1.64 113.70 115.75 3dm6 s SER 22 Ca 0.00 -0.71 -0.18 0.00 1.31 0.00 0.00 55.95 56.37 3dm6 s SER 22 Cb 0.00 -1.08 -0.07 0.00 0.21 0.00 0.00 66.02 65.09 3dm6 s SER 22 CO 0.00 -0.15 0.68 -0.81 0.41 0.00 0.00 173.24 173.37 3dm6 n PRO 23 N 4.79 0.62 -1.64 12.44 -0.04 -1.26 -1.12 135.00 148.78 3dm6 n PRO 23 Ca -0.14 0.24 -0.44 0.00 -0.04 0.00 0.00 63.50 63.13 3dm6 n PRO 23 Cb 0.48 -1.88 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 3dm6 n PRO 23 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3dm6 n PRO 24 N -0.47 1.72 -4.33 0.54 -0.04 -0.65 -4.90 135.00 126.88 3dm6 n PRO 24 Ca 0.12 0.60 -0.34 0.00 -0.04 0.00 0.00 63.50 63.85 3dm6 n PRO 24 Cb 0.48 -2.09 -0.14 0.00 -0.04 0.00 0.00 33.50 31.71 3dm6 n PRO 24 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3dm6 s GLN 25 N -1.59 3.32 -0.04 0.54 -0.21 0.31 -4.88 119.66 117.10 3dm6 s GLN 25 Ca 0.58 -0.68 -0.29 0.00 0.02 0.00 0.00 55.36 54.99 3dm6 s GLN 25 Cb -0.65 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 30.57 3dm6 s GLN 25 CO 0.60 -0.02 0.94 0.99 -2.12 0.00 0.00 175.29 175.68 3dm6 s THR 26 N 0.95 4.87 0.02 -0.19 2.01 -1.26 -1.78 115.64 120.27 3dm6 s THR 26 Ca -0.02 1.95 -0.07 0.00 0.31 0.00 0.00 61.69 63.87 3dm6 s THR 26 Cb -0.15 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.09 3dm6 s THR 26 CO -0.01 0.13 0.13 -0.76 -0.69 0.00 0.00 174.62 173.42 3dm6 s LEU 27 N 1.27 1.63 -0.19 4.42 1.43 0.11 -4.96 118.68 122.39 3dm6 s LEU 27 Ca 0.49 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 3dm6 s LEU 27 Cb -0.20 0.67 -0.04 0.00 0.03 0.00 0.00 46.19 46.65 3dm6 s LEU 27 CO 0.24 -0.44 0.35 0.20 0.23 0.00 0.00 176.35 176.92 3dm6 s ASN 28 N -1.73 6.42 -0.23 2.29 0.02 -1.26 -0.67 114.94 119.78 3dm6 s ASN 28 Ca -0.10 0.49 -0.01 0.00 -1.02 0.00 0.00 52.86 52.21 3dm6 s ASN 28 Cb -0.05 -2.21 0.02 0.00 0.02 0.00 0.00 41.25 39.04 3dm6 s ASN 28 CO -0.01 -0.01 -0.10 -0.63 0.02 0.00 0.00 177.10 176.37 3dm6 s ILE 29 N 1.00 2.65 0.15 0.60 -1.09 0.20 -0.62 121.20 124.09 3dm6 s ILE 29 Ca 0.17 -0.97 -0.31 0.00 -2.23 0.00 0.00 60.65 57.31 3dm6 s ILE 29 Cb -0.14 -2.28 -0.11 0.00 -1.58 0.00 0.00 42.46 38.35 3dm6 s ILE 29 CO 0.06 0.31 1.78 -0.22 -1.23 0.00 0.00 174.94 175.64 3dm6 s LEU 30 N 1.32 4.39 -0.33 2.97 2.96 -0.58 -0.27 118.68 129.13 3dm6 s LEU 30 Ca 0.02 2.78 -0.26 0.00 -0.22 0.00 0.00 54.13 56.44 3dm6 s LEU 30 Cb -0.16 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.97 3dm6 s LEU 30 CO -0.07 -0.98 0.94 -0.69 -1.32 0.00 0.00 176.35 174.23 3dm6 s VAL 31 N 2.18 4.62 -0.31 1.68 1.01 0.63 -0.03 120.40 130.20 3dm6 s VAL 31 Ca 0.78 1.41 -0.01 0.00 0.00 0.00 0.00 61.98 64.17 3dm6 s VAL 31 Cb -0.47 -4.31 0.10 0.00 0.00 0.00 0.00 36.38 31.70 3dm6 s VAL 31 CO 0.35 -0.42 0.10 -0.62 0.00 0.00 0.00 175.10 174.51 3dm6 s ASP 32 N 1.70 3.97 0.00 3.32 2.15 0.17 -3.98 116.67 124.00 3dm6 s ASP 32 Ca 0.39 -1.59 0.30 0.00 0.43 0.00 0.00 52.55 52.08 3dm6 s ASP 32 Cb -0.13 -0.82 1.70 0.00 -0.30 0.00 0.00 42.92 43.38 3dm6 s ASP 32 CO 0.15 -0.42 2.09 0.35 -0.17 0.00 0.00 175.17 177.17 3dm6 n THR 33 N 4.89 0.02 -1.45 1.71 -2.24 -1.26 -1.10 114.28 114.85 3dm6 n THR 33 Ca -0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 3dm6 n THR 33 Cb 0.42 -0.54 0.18 0.00 -2.10 0.00 0.00 70.33 68.29 3dm6 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dm6 n GLY 34 N 0.94 4.98 3.80 3.38 0.00 -1.26 -4.22 105.19 112.81 3dm6 n GLY 34 Ca 0.20 -1.36 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 3dm6 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dm6 s SER 35 N -2.32 -0.15 -0.05 1.61 1.04 -1.23 -5.03 113.70 107.57 3dm6 s SER 35 Ca 0.49 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.42 3dm6 s SER 35 Cb 0.43 0.58 0.11 0.00 0.10 0.00 0.00 66.02 67.24 3dm6 s SER 35 CO 0.02 -1.09 1.00 -1.20 0.98 0.00 0.00 173.24 172.94 3dm6 n SER 36 N -0.68 1.19 -4.36 7.02 7.64 -1.26 -0.81 113.62 122.36 3dm6 n SER 36 Ca -0.05 -2.30 -0.35 0.00 1.01 0.00 0.00 58.87 57.18 3dm6 n SER 36 Cb 0.60 -0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.60 4.45 -0.45 6.43 -0.87 -1.26 -4.48 114.94 117.17 3dm6 s ASN 37 Ca 0.12 -0.33 -0.29 0.00 -1.57 0.00 0.00 52.86 50.80 3dm6 s ASN 37 Cb 0.11 -1.76 0.02 0.00 -0.02 0.00 0.00 41.25 39.60 3dm6 s ASN 37 CO 0.01 0.01 1.22 0.12 -2.57 0.00 0.00 177.10 175.90 3dm6 s PHE 38 N 1.28 2.70 0.04 2.20 5.99 -1.26 -3.08 117.98 125.86 3dm6 s PHE 38 Ca 0.03 0.73 0.02 0.00 0.00 0.00 0.00 56.93 57.72 3dm6 s PHE 38 Cb -0.14 -4.35 -0.02 0.00 0.00 0.00 0.00 43.02 38.50 3dm6 s PHE 38 CO -0.01 -1.48 -0.08 0.00 -0.00 0.00 0.00 175.22 173.66 3dm6 s ALA 39 N 4.71 0.57 -0.00 11.12 0.00 -0.74 -1.43 121.76 135.99 3dm6 s ALA 39 Ca 0.52 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 3dm6 s ALA 39 Cb -0.10 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 3dm6 s ALA 39 CO 0.31 -0.03 0.02 0.14 0.00 0.00 0.00 175.76 176.20 3dm6 s VAL 40 N -1.41 0.03 -0.06 0.00 -7.23 -0.75 -0.14 120.40 110.85 3dm6 s VAL 40 Ca -0.10 -0.24 -0.37 0.00 -1.81 0.00 0.00 61.98 59.46 3dm6 s VAL 40 Cb -0.10 -0.11 -0.15 0.00 0.56 0.00 0.00 36.38 36.58 3dm6 s VAL 40 CO 0.00 -0.13 1.63 0.61 -0.31 0.00 0.00 175.10 176.90 3dm6 n GLY 41 N 2.65 0.92 0.90 2.32 0.00 0.80 -0.98 105.19 111.80 3dm6 n GLY 41 Ca -0.15 0.80 0.05 0.00 0.00 0.00 0.00 46.02 46.72 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 4.50 2.66 -3.48 4.61 0.00 -0.52 -0.95 120.51 127.34 3dm6 n ALA 42 Ca 0.22 -2.42 -0.15 0.00 0.00 0.00 0.00 53.44 51.08 3dm6 n ALA 42 Cb 0.21 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.26 -1.48 0.43 0.00 0.00 -1.21 -4.81 121.76 113.42 3dm6 s ALA 43 Ca 0.29 1.41 -0.23 0.00 0.00 0.00 0.00 51.96 53.44 3dm6 s ALA 43 Cb 0.30 -0.57 -0.12 0.00 0.00 0.00 0.00 23.12 22.74 3dm6 s ALA 43 CO -0.09 -0.31 0.69 -0.35 0.00 0.00 0.00 175.76 175.70 3dm6 n PRO 44 N 2.04 0.78 -3.74 0.00 -0.04 -1.26 -4.99 135.00 127.79 3dm6 n PRO 44 Ca -0.16 0.28 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 3dm6 n PRO 44 Cb 0.56 -1.67 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.41 -0.44 0.65 0.54 2.46 -1.26 -5.03 115.29 110.80 3dm6 s HIS 45 Ca 0.64 1.03 0.14 0.00 0.47 0.00 0.00 55.06 57.34 3dm6 s HIS 45 Cb -0.59 0.16 0.78 0.00 -0.13 0.00 0.00 32.58 32.79 3dm6 s HIS 45 CO 0.57 -0.23 1.43 -1.00 -2.47 0.00 0.00 174.74 173.05 3dm6 h PRO 46 N 5.97 0.00 -0.00 2.88 0.13 -2.04 -0.62 132.00 138.32 3dm6 h PRO 46 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3dm6 h PRO 46 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3dm6 h PRO 46 CO 0.29 0.00 -0.33 1.19 -0.23 0.00 0.00 178.00 178.92 3dm6 n PHE 47 N -2.67 0.00 -3.59 1.56 0.99 -1.26 -4.97 117.46 107.52 3dm6 n PHE 47 Ca -0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.07 3dm6 n PHE 47 Cb 0.70 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 39.09 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 -2.10 4.14 0.29 4.37 1.43 -0.24 -4.59 118.68 121.97 3dm6 s LEU 48 Ca 0.05 0.25 0.25 0.00 -1.03 0.00 0.00 54.13 53.65 3dm6 s LEU 48 Cb 0.07 -2.22 0.68 0.00 0.03 0.00 0.00 46.19 44.75 3dm6 s LEU 48 CO 0.31 0.04 1.73 0.45 0.23 0.00 0.00 176.35 179.11 3dm6 h HIS 49 N 7.35 0.00 -2.85 0.29 3.86 -1.93 -3.41 115.15 118.46 3dm6 h HIS 49 Ca -0.38 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 58.90 3dm6 h HIS 49 Cb 1.17 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.60 3dm6 h HIS 49 CO 0.66 0.00 0.32 -0.98 0.86 0.00 0.00 177.93 178.79 3dm6 s ARG 50 N -3.15 1.79 -0.02 2.45 1.70 -1.26 -5.15 118.95 115.32 3dm6 s ARG 50 Ca 0.09 -1.07 -0.30 0.00 -0.47 0.00 0.00 55.73 53.98 3dm6 s ARG 50 Cb 0.10 0.56 0.11 0.00 -0.57 0.00 0.00 34.95 35.15 3dm6 s ARG 50 CO 0.61 -0.83 1.07 1.52 -1.08 0.00 0.00 175.30 176.59 3dm6 s TYR 51 N -3.11 -0.18 0.15 5.89 -0.85 -1.26 -4.93 117.35 113.06 3dm6 s TYR 51 Ca 0.14 0.04 -0.31 0.00 -0.52 0.00 0.00 57.07 56.41 3dm6 s TYR 51 Cb -0.05 0.56 -0.11 0.00 0.38 0.00 0.00 41.96 42.74 3dm6 s TYR 51 CO 0.08 -0.47 1.77 -0.47 -1.52 0.00 0.00 175.55 174.94 3dm6 s TYR 52 N -2.84 2.47 -0.74 -3.49 5.04 -0.12 -4.96 117.35 112.72 3dm6 s TYR 52 Ca 0.10 0.16 -0.04 0.00 -2.44 0.00 0.00 57.07 54.84 3dm6 s TYR 52 Cb 0.00 -4.14 0.19 0.00 0.35 0.00 0.00 41.96 38.36 3dm6 s TYR 52 CO -0.04 -4.54 0.59 -0.65 -1.34 0.00 0.00 175.55 169.57 3dm6 s GLN 53 N 2.11 2.94 0.31 4.97 -1.52 -1.26 -4.54 119.66 122.67 3dm6 s GLN 53 Ca 0.78 -2.74 0.07 0.00 -1.95 0.00 0.00 55.36 51.53 3dm6 s GLN 53 Cb -0.47 -3.91 0.80 0.00 -0.22 0.00 0.00 33.01 29.21 3dm6 s GLN 53 CO 0.34 -1.22 1.76 0.00 -0.25 0.00 0.00 175.29 175.92 3dm6 h ARG 54 N 6.86 0.67 -0.94 2.91 3.08 -1.93 -0.83 114.38 124.20 3dm6 h ARG 54 Ca 0.05 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.16 3dm6 h ARG 54 Cb 0.93 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.76 3dm6 h ARG 54 CO 0.76 0.45 0.60 -0.56 -1.07 0.00 0.00 179.97 180.15 3dm6 h GLN 55 N 0.69 0.93 -0.07 0.04 -0.00 -1.99 -2.87 115.11 111.84 3dm6 h GLN 55 Ca 0.61 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 59.20 3dm6 h GLN 55 Cb 1.03 -0.21 0.00 0.00 -0.00 0.00 0.00 27.48 28.30 3dm6 h GLN 55 CO -0.42 0.62 0.00 1.28 -0.00 0.00 0.00 178.83 180.31 3dm6 n LEU 56 N -4.55 0.70 -4.44 0.06 4.77 -0.32 -4.80 117.00 108.42 3dm6 n LEU 56 Ca 0.16 -0.29 -0.35 0.00 -0.03 0.00 0.00 56.01 55.50 3dm6 n LEU 56 Cb 0.31 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 3dm6 n LEU 56 CO 0.30 0.15 -0.33 -0.55 -1.33 0.00 0.00 177.39 175.63 3dm6 s SER 57 N -1.55 4.84 0.00 -1.43 0.15 -1.09 -4.44 113.70 110.18 3dm6 s SER 57 Ca 0.29 -0.21 0.24 0.00 0.70 0.00 0.00 55.95 56.96 3dm6 s SER 57 Cb 0.14 -1.83 1.18 0.00 -1.71 0.00 0.00 66.02 63.81 3dm6 s SER 57 CO 0.23 0.05 1.77 -1.54 1.20 0.00 0.00 173.24 174.95 3dm6 n SER 58 N 4.35 0.00 -0.22 5.45 3.41 -0.27 -3.26 113.62 123.07 3dm6 n SER 58 Ca -0.17 -0.05 0.05 0.00 -0.26 0.00 0.00 58.87 58.45 3dm6 n SER 58 Cb 0.52 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.29 0.00 -1.90 6.66 -2.24 -1.26 -4.97 114.28 109.29 3dm6 n THR 59 Ca 0.11 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 3dm6 n THR 59 Cb 0.19 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.53 1.61 0.23 4.78 5.04 -1.20 -4.60 117.35 121.67 3dm6 s TYR 60 Ca 0.09 0.70 -0.17 0.00 -2.44 0.00 0.00 57.07 55.24 3dm6 s TYR 60 Cb 0.09 -4.05 -0.08 0.00 0.35 0.00 0.00 41.96 38.27 3dm6 s TYR 60 CO 0.30 -3.06 0.68 1.03 -1.34 0.00 0.00 175.55 173.17 3dm6 s ARG 61 N 6.14 4.12 -0.06 4.97 0.52 -1.06 -5.02 118.95 128.57 3dm6 s ARG 61 Ca 0.84 0.72 -0.10 0.00 -0.52 0.00 0.00 55.73 56.67 3dm6 s ARG 61 Cb -0.23 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 3dm6 s ARG 61 CO 0.32 0.36 0.26 0.34 0.02 0.00 0.00 175.30 176.59 3dm6 s ASP 62 N -1.83 6.56 0.00 0.23 -1.08 -1.26 -2.90 116.67 116.38 3dm6 s ASP 62 Ca 0.45 0.66 0.20 0.00 -0.52 0.00 0.00 52.55 53.34 3dm6 s ASP 62 Cb -0.15 -2.14 0.08 0.00 -1.46 0.00 0.00 42.92 39.26 3dm6 s ASP 62 CO 0.20 0.35 1.07 0.18 0.52 0.00 0.00 175.17 177.49 3dm6 n LEU 63 N 1.78 2.31 0.00 -1.34 4.77 -1.15 -4.89 117.00 118.47 3dm6 n LEU 63 Ca -0.16 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 3dm6 n LEU 63 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3dm6 n LEU 63 CO 0.35 0.41 0.00 0.54 -1.33 0.00 0.00 177.39 177.36 3dm6 n ARG 64 N 0.58 0.00 -1.84 3.23 1.74 -1.26 -4.91 116.66 114.20 3dm6 n ARG 64 Ca 0.10 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.79 3dm6 n ARG 64 Cb 0.47 -1.61 0.02 0.00 -1.02 0.00 0.00 32.46 30.32 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 0.00 3.46 0.40 5.56 2.47 -1.26 -4.96 119.74 125.41 3dm6 s LYS 65 Ca 0.00 2.28 0.08 0.00 -1.56 0.00 0.00 55.97 56.77 3dm6 s LYS 65 Cb 0.00 -2.47 -0.02 0.00 -1.46 0.00 0.00 37.83 33.88 3dm6 s LYS 65 CO 0.00 -0.95 0.37 0.20 0.16 0.00 0.00 175.35 175.14 3dm6 s GLY 66 N -0.77 2.07 0.02 5.54 0.00 -1.26 -2.22 107.32 110.70 3dm6 s GLY 66 Ca 0.66 -1.84 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 3dm6 s GLY 66 CO 0.51 -1.67 0.25 0.54 0.00 0.00 0.00 173.10 172.73 3dm6 s VAL 67 N -2.44 0.09 -0.07 1.40 0.11 0.23 -4.79 120.40 114.93 3dm6 s VAL 67 Ca 0.47 -0.71 -0.04 0.00 -2.93 0.00 0.00 61.98 58.78 3dm6 s VAL 67 Cb -0.04 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3dm6 s VAL 67 CO 0.28 -0.39 0.15 -0.47 -3.33 0.00 0.00 175.10 171.34 3dm6 s TYR 68 N -2.15 -0.17 -0.15 1.54 5.04 -1.26 -1.63 117.35 118.55 3dm6 s TYR 68 Ca -0.08 0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 55.00 3dm6 s TYR 68 Cb -0.03 -0.03 0.05 0.00 0.35 0.00 0.00 41.96 42.30 3dm6 s TYR 68 CO -0.01 -0.15 0.03 0.08 -1.34 0.00 0.00 175.55 174.16 3dm6 s VAL 69 N 0.86 0.42 -0.05 3.14 1.01 -1.04 -4.75 120.40 120.00 3dm6 s VAL 69 Ca -0.07 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 3dm6 s VAL 69 Cb -0.08 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3dm6 s VAL 69 CO -0.04 -0.07 0.49 -2.16 0.00 0.00 0.00 175.10 173.32 3dm6 s PRO 70 N 1.92 4.21 0.39 2.72 0.04 -1.26 -3.01 135.00 140.01 3dm6 s PRO 70 Ca 0.01 0.52 0.08 0.00 0.04 0.00 0.00 61.00 61.65 3dm6 s PRO 70 Cb -0.15 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 3dm6 s PRO 70 CO -0.07 0.38 0.14 0.71 0.04 0.00 0.00 177.00 178.21 3dm6 s TYR 71 N -0.15 2.62 0.41 0.56 2.02 0.54 -5.01 117.35 118.35 3dm6 s TYR 71 Ca 0.27 -0.52 0.16 0.00 -0.37 0.00 0.00 57.07 56.60 3dm6 s TYR 71 Cb -0.17 -1.82 1.04 0.00 -0.40 0.00 0.00 41.96 40.61 3dm6 s TYR 71 CO 0.13 0.26 1.89 1.15 -1.57 0.00 0.00 175.55 177.41 3dm6 h THR 72 N 1.51 0.75 0.00 -0.71 2.02 -2.00 -3.33 112.91 111.16 3dm6 h THR 72 Ca -0.43 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3dm6 h THR 72 Cb 1.25 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3dm6 h THR 72 CO 0.68 0.08 -0.49 0.00 0.37 0.00 0.00 175.52 176.16 3dm6 n GLN 73 N -4.50 0.43 -0.29 6.66 6.02 -1.26 -5.07 117.38 119.36 3dm6 n GLN 73 Ca 0.17 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 3dm6 n GLN 73 Cb 0.59 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3dm6 n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dm6 n GLY 74 N 1.62 4.91 3.50 1.08 0.00 -1.25 -4.91 105.19 110.13 3dm6 n GLY 74 Ca -0.07 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 0.56 0.93 0.18 1.61 -2.85 -0.88 -0.34 119.74 118.95 3dm6 s LYS 75 Ca 0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 55.97 54.76 3dm6 s LYS 75 Cb 0.00 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 3dm6 s LYS 75 CO 0.00 -0.38 0.09 1.67 0.10 0.00 0.00 175.35 176.83 3dm6 s TRP 76 N -2.73 1.07 0.09 1.78 1.48 -1.16 -0.45 118.94 119.02 3dm6 s TRP 76 Ca 0.01 -1.29 0.02 0.00 -1.06 0.00 0.00 56.10 53.78 3dm6 s TRP 76 Cb -0.01 -0.56 -0.04 0.00 -1.16 0.00 0.00 33.47 31.70 3dm6 s TRP 76 CO -0.06 -0.54 -0.07 -1.83 -4.06 0.00 0.00 176.95 170.38 3dm6 s GLU 77 N -4.09 0.80 -0.00 3.25 -1.05 0.12 -2.49 118.70 115.23 3dm6 s GLU 77 Ca 0.32 -1.23 -0.04 0.00 -0.15 0.00 0.00 54.97 53.87 3dm6 s GLU 77 Cb 0.07 -0.27 0.01 0.00 -0.44 0.00 0.00 34.13 33.51 3dm6 s GLU 77 CO 0.08 0.01 0.18 0.41 0.95 0.00 0.00 175.26 176.88 3dm6 n GLY 78 N 0.25 0.61 3.62 -3.83 0.00 -0.65 -1.18 105.19 104.02 3dm6 n GLY 78 Ca -0.14 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 3dm6 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dm6 s GLU 79 N -2.00 3.96 0.86 1.61 2.02 -0.24 -0.61 118.70 124.30 3dm6 s GLU 79 Ca 0.04 -0.35 -0.12 0.00 0.02 0.00 0.00 54.97 54.56 3dm6 s GLU 79 Cb -0.00 -3.21 0.11 0.00 0.10 0.00 0.00 34.13 31.13 3dm6 s GLU 79 CO -0.00 0.26 1.12 -0.51 0.02 0.00 0.00 175.26 176.14 3dm6 s LEU 80 N 0.41 2.28 0.00 1.80 1.43 -0.94 -0.97 118.68 122.70 3dm6 s LEU 80 Ca 0.03 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 3dm6 s LEU 80 Cb -0.13 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3dm6 s LEU 80 CO 0.00 -2.30 0.00 0.61 0.23 0.00 0.00 176.35 174.90 3dm6 n GLY 81 N -2.09 2.37 3.97 -3.19 0.00 -0.96 -2.94 105.19 102.35 3dm6 n GLY 81 Ca 0.07 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 3dm6 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dm6 s THR 82 N -2.00 4.56 0.21 2.61 -4.23 -1.14 0.11 115.64 115.75 3dm6 s THR 82 Ca 0.00 -1.03 -0.20 0.00 -1.18 0.00 0.00 61.69 59.28 3dm6 s THR 82 Cb 0.00 -3.59 0.07 0.00 1.34 0.00 0.00 72.50 70.33 3dm6 s THR 82 CO 0.00 -0.24 0.99 -0.67 -0.54 0.00 0.00 174.62 174.16 3dm6 n ASP 83 N -1.51 -1.80 -4.77 3.99 -0.08 -0.95 -2.56 116.55 108.87 3dm6 n ASP 83 Ca -0.04 -1.99 -0.38 0.00 -1.51 0.00 0.00 54.79 50.87 3dm6 n ASP 83 Cb 0.58 2.93 -0.06 0.00 2.34 0.00 0.00 41.12 46.91 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 4.35 -0.03 -2.67 1.43 -1.25 -0.83 118.68 119.68 3dm6 s LEU 84 Ca 0.22 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.16 3dm6 s LEU 84 Cb -0.03 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.60 3dm6 s LEU 84 CO 0.06 0.15 -0.08 -0.69 0.23 0.00 0.00 176.35 176.02 3dm6 s VAL 85 N -0.09 0.70 0.08 -1.59 1.01 0.21 -1.39 120.40 119.32 3dm6 s VAL 85 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3dm6 s VAL 85 Cb -0.15 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3dm6 s VAL 85 CO 0.10 0.22 -0.04 -0.94 0.00 0.00 0.00 175.10 174.45 3dm6 s SER 86 N 0.25 0.73 -0.41 3.32 1.04 -1.00 0.08 113.70 117.71 3dm6 s SER 86 Ca -0.04 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.39 3dm6 s SER 86 Cb -0.09 0.17 0.11 0.00 0.10 0.00 0.00 66.02 66.31 3dm6 s SER 86 CO 0.00 -0.56 0.16 -0.63 0.98 0.00 0.00 173.24 173.19 3dm6 s ILE 87 N -3.82 2.75 0.17 -1.02 1.01 -1.26 -2.27 121.20 116.76 3dm6 s ILE 87 Ca 0.10 -2.45 -0.25 0.00 0.00 0.00 0.00 60.65 58.04 3dm6 s ILE 87 Cb 0.07 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.62 3dm6 s ILE 87 CO -0.07 -0.68 1.45 -2.65 0.00 0.00 0.00 174.94 172.99 3dm6 n PRO 88 N 4.12 -0.36 -1.62 2.79 -0.02 -1.26 -0.48 135.00 138.18 3dm6 n PRO 88 Ca 0.03 1.43 -0.33 0.00 -2.02 0.00 0.00 63.50 62.60 3dm6 n PRO 88 Cb 0.40 -2.10 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 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 -5.23 2.42 0.00 6.00 8.25 -1.26 -4.88 115.22 120.51 3dm6 n HIS 89 Ca 0.04 -2.25 0.00 0.00 -0.26 0.00 0.00 57.72 55.25 3dm6 n HIS 89 Cb 0.28 -1.27 0.00 0.00 1.12 0.00 0.00 29.99 30.12 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 -0.03 5.31 3.82 -1.41 0.00 0.37 -4.53 105.19 108.70 3dm6 n GLY 90 Ca 0.51 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 3dm6 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dm6 s PRO 91 N 4.87 4.27 -1.28 1.61 0.04 -1.26 -4.83 135.00 138.42 3dm6 s PRO 91 Ca 0.00 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 61.84 3dm6 s PRO 91 Cb 0.00 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.93 3dm6 s PRO 91 CO 0.00 0.24 1.88 -1.71 0.04 0.00 0.00 177.00 177.45 3dm6 n ASN 92 N 0.20 4.27 -3.95 6.66 5.15 -1.26 -4.59 115.26 121.74 3dm6 n ASN 92 Ca 0.02 -2.85 -0.09 0.00 -0.60 0.00 0.00 54.58 51.05 3dm6 n ASN 92 Cb 0.52 -1.69 -0.05 0.00 -0.53 0.00 0.00 39.78 38.03 3dm6 n ASN 92 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dm6 s VAL 93 N 5.16 0.01 -0.02 3.44 -7.23 -1.26 -5.16 120.40 115.33 3dm6 s VAL 93 Ca 0.55 -1.30 -0.02 0.00 -1.81 0.00 0.00 61.98 59.40 3dm6 s VAL 93 Cb 0.06 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.91 3dm6 s VAL 93 CO 0.06 -0.03 0.06 -0.89 -0.31 0.00 0.00 175.10 173.99 3dm6 s THR 94 N -3.99 -0.01 0.15 5.32 2.01 -1.26 -4.24 115.64 113.62 3dm6 s THR 94 Ca 0.20 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.25 3dm6 s THR 94 Cb -0.01 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 3dm6 s THR 94 CO 0.07 0.01 -0.06 0.68 -0.69 0.00 0.00 174.62 174.62 3dm6 s VAL 95 N 0.15 0.95 -0.17 3.82 -7.23 0.11 -4.91 120.40 113.12 3dm6 s VAL 95 Ca -0.01 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 57.97 3dm6 s VAL 95 Cb -0.02 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 3dm6 s VAL 95 CO -0.00 -0.69 0.50 -0.60 -0.31 0.00 0.00 175.10 173.99 3dm6 s ARG 96 N -3.81 4.24 0.01 4.82 3.52 -1.26 0.68 118.95 127.15 3dm6 s ARG 96 Ca 0.18 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 56.20 3dm6 s ARG 96 Cb 0.04 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 3dm6 s ARG 96 CO 0.01 -0.05 -0.03 0.00 -0.81 0.00 0.00 175.30 174.42 3dm6 s ALA 97 N 1.30 0.20 0.52 6.12 0.00 -0.01 -4.90 121.76 124.99 3dm6 s ALA 97 Ca 0.24 -0.38 -0.22 0.00 0.00 0.00 0.00 51.96 51.60 3dm6 s ALA 97 Cb -0.15 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.95 3dm6 s ALA 97 CO 0.10 -0.05 1.21 0.09 0.00 0.00 0.00 175.76 177.11 3dm6 n ASN 98 N 2.24 2.05 -3.69 0.00 3.02 -1.26 -2.24 115.26 115.37 3dm6 n ASN 98 Ca -0.18 0.97 -0.12 0.00 -0.03 0.00 0.00 54.58 55.21 3dm6 n ASN 98 Cb 0.57 -1.49 -0.13 0.00 -0.61 0.00 0.00 39.78 38.12 3dm6 n ASN 98 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dm6 s ILE 99 N -1.32 -0.26 -0.54 2.41 1.01 0.30 -4.70 121.20 118.10 3dm6 s ILE 99 Ca 0.70 0.21 -0.19 0.00 0.00 0.00 0.00 60.65 61.37 3dm6 s ILE 99 Cb -0.45 -0.45 0.07 0.00 0.01 0.00 0.00 42.46 41.64 3dm6 s ILE 99 CO 0.51 0.09 0.64 0.00 0.00 0.00 0.00 174.94 176.18 3dm6 s ALA 100 N 1.92 3.40 -0.66 9.38 0.00 -0.51 -2.27 121.76 133.02 3dm6 s ALA 100 Ca -0.04 -1.92 -0.26 0.00 0.00 0.00 0.00 51.96 49.73 3dm6 s ALA 100 Cb -0.11 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3dm6 s ALA 100 CO -0.09 -2.12 1.73 0.00 0.00 0.00 0.00 175.76 175.28 3dm6 s ALA 101 N 2.62 2.29 -0.24 0.00 0.00 -0.14 -1.81 121.76 124.48 3dm6 s ALA 101 Ca 0.13 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 3dm6 s ALA 101 Cb -0.21 -4.31 -0.03 0.00 0.00 0.00 0.00 23.12 18.58 3dm6 s ALA 101 CO 0.10 -3.79 1.68 0.42 0.00 0.00 0.00 175.76 174.17 3dm6 s ILE 102 N 8.32 3.61 -0.08 0.00 1.01 -0.15 -1.08 121.20 132.83 3dm6 s ILE 102 Ca 0.60 0.67 0.06 0.00 0.00 0.00 0.00 60.65 61.97 3dm6 s ILE 102 Cb -0.11 -3.66 -0.24 0.00 0.01 0.00 0.00 42.46 38.46 3dm6 s ILE 102 CO 0.18 -0.31 0.52 0.35 0.00 0.00 0.00 174.94 175.68 3dm6 n THR 103 N 6.66 1.67 -3.50 2.92 -2.24 -0.33 -1.43 114.28 118.02 3dm6 n THR 103 Ca 0.20 -0.74 -0.16 0.00 -2.27 0.00 0.00 64.05 61.07 3dm6 n THR 103 Cb 0.45 -1.28 -0.05 0.00 -2.10 0.00 0.00 70.33 67.35 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 -2.58 1.11 0.22 -0.78 -1.05 -0.94 -4.77 118.70 109.91 3dm6 s GLU 104 Ca -0.12 0.05 -0.05 0.00 -0.15 0.00 0.00 54.97 54.70 3dm6 s GLU 104 Cb 0.07 0.52 -0.03 0.00 -0.44 0.00 0.00 34.13 34.26 3dm6 s GLU 104 CO 0.80 -0.39 0.26 -1.54 0.95 0.00 0.00 175.26 175.34 3dm6 s SER 105 N -1.62 0.11 -0.15 0.83 1.04 -1.26 0.14 113.70 112.78 3dm6 s SER 105 Ca -0.08 -1.24 -0.06 0.00 0.48 0.00 0.00 55.95 55.05 3dm6 s SER 105 Cb -0.00 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.65 3dm6 s SER 105 CO 0.04 -0.95 0.32 -0.62 0.98 0.00 0.00 173.24 173.00 3dm6 s ASP 106 N -3.12 0.09 -0.81 7.02 2.15 0.40 -4.88 116.67 117.52 3dm6 s ASP 106 Ca 0.33 0.74 0.00 0.00 0.43 0.00 0.00 52.55 54.05 3dm6 s ASP 106 Cb 0.04 0.91 0.00 0.00 -0.30 0.00 0.00 42.92 43.57 3dm6 s ASP 106 CO 0.11 -0.23 0.00 0.29 -0.17 0.00 0.00 175.17 175.17 3dm6 n LYS 107 N 5.27 -2.12 0.00 4.34 5.02 -1.26 -2.07 118.16 127.34 3dm6 n LYS 107 Ca -0.08 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 3dm6 n LYS 107 Cb 0.50 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 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 -2.74 0.00 -1.91 2.13 7.35 -1.26 -4.08 117.46 116.95 3dm6 n PHE 108 Ca -0.10 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.19 3dm6 n PHE 108 Cb 0.51 -0.26 0.01 0.00 0.35 0.00 0.00 39.48 40.08 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 -0.89 2.59 -0.15 -5.13 0.40 -1.26 -4.99 117.98 108.55 3dm6 s PHE 109 Ca 0.00 1.34 0.00 0.00 -0.60 0.00 0.00 56.93 57.67 3dm6 s PHE 109 Cb 0.00 -3.80 -0.00 0.00 0.51 0.00 0.00 43.02 39.73 3dm6 s PHE 109 CO 0.00 -2.57 -0.15 0.42 0.70 0.00 0.00 175.22 173.62 3dm6 s ILE 110 N -1.25 2.68 -0.01 0.64 1.01 -1.26 -5.04 121.20 117.98 3dm6 s ILE 110 Ca 0.61 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 3dm6 s ILE 110 Cb -0.41 -2.13 -0.07 0.00 0.01 0.00 0.00 42.46 39.86 3dm6 s ILE 110 CO 0.52 0.51 1.67 0.21 0.00 0.00 0.00 174.94 177.85 3dm6 s ASN 111 N 0.80 6.64 0.00 3.58 2.47 -1.26 -2.13 114.94 125.05 3dm6 s ASN 111 Ca -0.05 2.34 0.00 0.00 0.42 0.00 0.00 52.86 55.57 3dm6 s ASN 111 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 3dm6 s ASN 111 CO 0.00 -0.91 0.00 0.61 -3.72 0.00 0.00 177.10 173.08 3dm6 n GLY 112 N 4.10 0.75 0.07 1.21 0.00 -1.26 -4.94 105.19 105.11 3dm6 n GLY 112 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3dm6 n GLY 112 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dm6 n SER 113 N 0.00 0.61 0.00 1.61 3.41 -0.90 -4.88 113.62 113.47 3dm6 n SER 113 Ca 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 3dm6 n SER 113 Cb 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3dm6 n SER 113 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3dm6 n ASN 114 N -2.02 -4.70 -4.54 4.04 5.15 -1.26 -4.42 115.26 107.51 3dm6 n ASN 114 Ca 0.05 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.71 3dm6 n ASN 114 Cb 0.41 -2.31 -0.11 0.00 -0.53 0.00 0.00 39.78 37.23 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 -1.41 2.77 -0.04 1.20 1.48 -1.26 -4.63 118.94 117.04 3dm6 s TRP 115 Ca 0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 56.10 54.93 3dm6 s TRP 115 Cb 0.00 -1.57 0.01 0.00 -1.16 0.00 0.00 33.47 30.74 3dm6 s TRP 115 CO 0.00 0.31 0.64 0.39 -4.06 0.00 0.00 176.95 174.24 3dm6 n GLU 116 N 1.66 0.08 -3.11 3.25 4.71 0.21 -4.86 120.64 122.58 3dm6 n GLU 116 Ca -0.16 -0.78 -0.08 0.00 -0.01 0.00 0.00 57.16 56.13 3dm6 n GLU 116 Cb 0.52 -1.01 0.01 0.00 -1.01 0.00 0.00 31.44 29.95 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 -0.11 1.57 2.91 0.62 0.00 -1.05 -0.14 105.19 108.99 3dm6 n GLY 117 Ca 0.00 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.45 0.23 -0.49 -0.61 2.07 0.81 -1.53 121.20 119.23 3dm6 s ILE 118 Ca 0.14 -0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.31 3dm6 s ILE 118 Cb -0.03 -0.21 0.13 0.00 0.13 0.00 0.00 42.46 42.48 3dm6 s ILE 118 CO 0.11 0.07 0.23 -0.22 -1.91 0.00 0.00 174.94 173.22 3dm6 s LEU 119 N 0.04 4.57 -0.36 8.50 2.96 0.96 -1.80 118.68 133.55 3dm6 s LEU 119 Ca -0.00 -2.76 -0.28 0.00 -0.22 0.00 0.00 54.13 50.86 3dm6 s LEU 119 Cb -0.02 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3dm6 s LEU 119 CO -0.00 -0.30 1.70 -0.83 -1.32 0.00 0.00 176.35 175.60 3dm6 s GLY 120 N 0.19 0.85 -0.04 7.98 0.00 -1.18 -0.66 107.32 114.47 3dm6 s GLY 120 Ca 0.15 0.12 0.20 0.00 0.00 0.00 0.00 44.72 45.19 3dm6 s GLY 120 CO -0.02 3.14 1.53 1.04 0.00 0.00 0.00 173.10 178.79 3dm6 n LEU 121 N 9.97 3.99 0.00 0.66 4.77 -0.26 -4.35 117.00 131.79 3dm6 n LEU 121 Ca 0.21 -2.00 -0.07 0.00 -0.03 0.00 0.00 56.01 54.12 3dm6 n LEU 121 Cb 0.47 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.10 3dm6 n LEU 121 CO 0.69 0.87 0.17 0.00 -1.33 0.00 0.00 177.39 177.79 3dm6 n ALA 122 N 1.36 0.02 -2.10 -1.18 0.00 0.01 -4.94 120.51 113.68 3dm6 n ALA 122 Ca 0.24 -0.56 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 3dm6 n ALA 122 Cb 0.68 0.08 0.03 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.81 3.20 0.19 0.00 1.51 -1.07 -4.67 117.35 115.71 3dm6 s TYR 123 Ca 0.19 0.54 -0.12 0.00 -1.01 0.00 0.00 57.07 56.68 3dm6 s TYR 123 Cb -0.01 -2.72 0.11 0.00 -0.11 0.00 0.00 41.96 39.23 3dm6 s TYR 123 CO 0.13 -0.81 1.83 0.00 -1.11 0.00 0.00 175.55 175.59 3dm6 h ALA 124 N -0.12 0.83 -0.81 3.71 0.00 -1.88 -3.01 119.26 117.98 3dm6 h ALA 124 Ca -0.45 -0.08 0.34 0.00 0.00 0.00 0.00 54.91 54.72 3dm6 h ALA 124 Cb 1.26 -0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 3dm6 h ALA 124 CO 0.60 0.31 0.45 -1.91 0.00 0.00 0.00 179.25 178.69 3dm6 n GLU 125 N -4.58 -0.05 -0.67 0.00 2.13 -1.26 0.94 120.64 117.15 3dm6 n GLU 125 Ca 0.05 1.08 0.09 0.00 0.66 0.00 0.00 57.16 59.04 3dm6 n GLU 125 Cb 0.05 -1.96 0.37 0.00 0.27 0.00 0.00 31.44 30.18 3dm6 n GLU 125 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 3dm6 n ILE 126 N -4.74 2.02 -2.69 6.31 -5.35 -1.14 -4.65 119.36 109.13 3dm6 n ILE 126 Ca 0.30 -1.25 -0.39 0.00 -0.27 0.00 0.00 62.75 61.15 3dm6 n ILE 126 Cb 1.04 0.05 -0.06 0.00 -1.74 0.00 0.00 39.64 38.93 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 -2.03 3.27 0.07 -1.28 0.00 0.27 -4.54 121.76 117.52 3dm6 s ALA 127 Ca 0.52 0.65 -0.00 0.00 0.00 0.00 0.00 51.96 53.12 3dm6 s ALA 127 Cb 0.35 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 3dm6 s ALA 127 CO 0.23 0.08 0.23 1.03 0.00 0.00 0.00 175.76 177.33 3dm6 s ARG 128 N -1.70 3.46 0.34 0.00 1.81 -1.26 -2.91 118.95 118.70 3dm6 s ARG 128 Ca 0.47 -0.40 0.17 0.00 -1.72 0.00 0.00 55.73 54.24 3dm6 s ARG 128 Cb -0.24 -3.02 0.56 0.00 -0.45 0.00 0.00 34.95 31.80 3dm6 s ARG 128 CO 0.30 0.60 1.68 -1.35 -0.68 0.00 0.00 175.30 175.85 3dm6 h PRO 129 N 3.07 0.00 -4.33 3.54 0.11 -1.89 -3.46 132.00 129.03 3dm6 h PRO 129 Ca -0.45 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.39 3dm6 h PRO 129 Cb 1.16 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.16 3dm6 h PRO 129 CO 0.76 0.44 -0.36 0.16 -0.21 0.00 0.00 178.00 178.78 3dm6 s ASP 130 N -6.52 0.68 0.00 -2.05 -4.77 -1.14 -5.04 116.67 97.83 3dm6 s ASP 130 Ca 0.00 -1.41 0.00 0.00 -3.30 0.00 0.00 52.55 47.84 3dm6 s ASP 130 Cb 0.11 0.55 0.00 0.00 -1.09 0.00 0.00 42.92 42.49 3dm6 s ASP 130 CO 0.71 -1.09 0.35 -0.90 0.70 0.00 0.00 175.17 174.93 3dm6 n ASP 131 N -0.93 0.23 -0.00 2.11 5.75 -1.25 -3.00 116.55 119.45 3dm6 n ASP 131 Ca 0.02 -0.92 0.09 0.00 -0.01 0.00 0.00 54.79 53.97 3dm6 n ASP 131 Cb 0.63 -0.11 -0.12 0.00 -1.03 0.00 0.00 41.12 40.48 3dm6 n ASP 131 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3dm6 n SER 132 N -0.12 0.77 -4.56 -1.12 3.41 -1.26 -4.70 113.62 106.03 3dm6 n SER 132 Ca 0.00 -0.65 -0.42 0.00 -0.26 0.00 0.00 58.87 57.54 3dm6 n SER 132 Cb 0.06 1.28 -0.02 0.00 -0.26 0.00 0.00 64.21 65.27 3dm6 n SER 132 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3dm6 s LEU 133 N -3.36 3.72 -0.50 1.04 2.96 -1.16 -4.98 118.68 116.39 3dm6 s LEU 133 Ca 0.03 -1.88 -0.46 0.00 -0.22 0.00 0.00 54.13 51.59 3dm6 s LEU 133 Cb 0.14 -2.56 -0.20 0.00 0.50 0.00 0.00 46.19 44.07 3dm6 s LEU 133 CO 0.80 -1.35 1.69 1.21 -1.32 0.00 0.00 176.35 177.37 3dm6 n GLU 134 N 8.55 0.00 -1.89 1.98 2.13 -1.26 -4.93 120.64 125.22 3dm6 n GLU 134 Ca 0.39 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.85 3dm6 n GLU 134 Cb 0.49 -1.49 0.04 0.00 0.27 0.00 0.00 31.44 30.75 3dm6 n GLU 134 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3dm6 s PRO 135 N 3.51 2.81 0.27 5.31 0.02 -1.26 -4.49 135.00 141.16 3dm6 s PRO 135 Ca 1.07 1.78 -0.05 0.00 0.02 0.00 0.00 61.00 63.83 3dm6 s PRO 135 Cb -1.49 -1.91 0.52 0.00 0.02 0.00 0.00 34.50 31.64 3dm6 s PRO 135 CO 0.79 -1.32 1.61 0.35 -0.33 0.00 0.00 177.00 178.10 3dm6 h PHE 136 N 0.61 -0.09 -0.14 6.54 3.57 -1.83 -0.12 116.94 125.49 3dm6 h PHE 136 Ca -0.50 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 3dm6 h PHE 136 Cb 1.29 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.19 3dm6 h PHE 136 CO 0.47 -0.31 -0.19 0.35 -2.23 0.00 0.00 178.31 176.41 3dm6 h PHE 137 N 0.07 0.24 0.44 0.41 3.57 -1.92 0.71 116.94 120.45 3dm6 h PHE 137 Ca 0.47 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 3dm6 h PHE 137 Cb 0.86 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.54 3dm6 h PHE 137 CO -0.47 0.41 -0.21 -0.44 -2.23 0.00 0.00 178.31 175.37 3dm6 h ASP 138 N 0.21 -0.50 -1.06 0.41 3.32 -1.39 -0.68 116.42 116.73 3dm6 h ASP 138 Ca 0.04 -0.10 0.28 0.00 0.02 0.00 0.00 57.03 57.27 3dm6 h ASP 138 Cb 0.46 0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.04 3dm6 h ASP 138 CO 0.03 -0.15 0.68 0.28 -1.72 0.00 0.00 179.24 178.36 3dm6 h SER 139 N -0.88 0.41 0.55 6.45 0.02 -1.26 -0.26 113.55 118.57 3dm6 h SER 139 Ca -0.06 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3dm6 h SER 139 Cb 0.57 0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.13 3dm6 h SER 139 CO 0.10 0.07 -0.26 0.25 -1.14 0.00 0.00 176.83 175.84 3dm6 h LEU 140 N 0.35 -0.62 -0.89 5.07 5.85 -0.18 -1.37 115.31 123.53 3dm6 h LEU 140 Ca 0.60 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.33 3dm6 h LEU 140 Cb 1.59 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.72 3dm6 h LEU 140 CO -0.28 -0.30 0.56 0.58 -0.34 0.00 0.00 178.44 178.65 3dm6 h VAL 141 N -0.95 1.07 0.42 1.05 2.07 -0.60 -2.73 116.25 116.59 3dm6 h VAL 141 Ca -0.08 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3dm6 h VAL 141 Cb 0.63 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3dm6 h VAL 141 CO 0.12 0.19 -0.20 0.11 0.02 0.00 0.00 177.57 177.81 3dm6 h LYS 142 N 1.03 -0.54 0.00 1.57 1.57 -1.04 -3.22 116.57 115.93 3dm6 h LYS 142 Ca 0.38 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3dm6 h LYS 142 Cb 0.14 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3dm6 h LYS 142 CO -0.16 -0.25 0.00 1.04 -0.57 0.00 0.00 179.45 179.51 3dm6 n GLN 143 N -5.23 0.08 -1.43 3.15 6.02 -0.52 -4.88 117.38 114.57 3dm6 n GLN 143 Ca -0.10 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 3dm6 n GLN 143 Cb 0.29 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.82 0.00 0.15 5.09 -2.24 -1.03 -5.08 114.28 109.35 3dm6 n THR 144 Ca 0.03 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 3dm6 n THR 144 Cb 0.18 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.18 -1.69 4.78 8.25 -1.26 -4.80 115.22 120.68 3dm6 n HIS 145 Ca 0.00 -0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 56.81 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 0.45 0.38 -1.60 1.59 0.31 -1.26 -4.94 118.33 113.26 3dm6 n VAL 146 Ca 0.07 -0.07 -0.46 0.00 -0.01 0.00 0.00 64.34 63.87 3dm6 n VAL 146 Cb 0.31 -2.15 -0.03 0.00 -0.91 0.00 0.00 33.84 31.06 3dm6 n VAL 146 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3dm6 n PRO 147 N 5.72 1.42 -1.86 5.55 -0.02 -1.26 -4.66 135.00 139.89 3dm6 n PRO 147 Ca 0.18 0.50 -0.37 0.00 -2.02 0.00 0.00 63.50 61.79 3dm6 n PRO 147 Cb 0.38 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 3dm6 n PRO 147 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3dm6 n ASN 148 N 1.76 3.36 -3.62 2.55 5.15 -1.26 -4.18 115.26 119.02 3dm6 n ASN 148 Ca 0.12 -2.75 -0.07 0.00 -0.60 0.00 0.00 54.58 51.29 3dm6 n ASN 148 Cb 0.29 -1.55 -0.06 0.00 -0.53 0.00 0.00 39.78 37.93 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 5.86 -0.25 0.15 1.20 0.20 -1.26 -1.22 118.68 123.37 3dm6 s LEU 149 Ca 0.60 0.38 -0.09 0.00 0.69 0.00 0.00 54.13 55.71 3dm6 s LEU 149 Cb 0.06 1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 47.34 3dm6 s LEU 149 CO 0.10 -0.15 0.26 0.72 -0.29 0.00 0.00 176.35 176.99 3dm6 s PHE 150 N -0.47 0.38 -0.01 5.38 -0.71 -0.87 -1.10 117.98 120.59 3dm6 s PHE 150 Ca 0.04 -0.76 -0.04 0.00 -1.04 0.00 0.00 56.93 55.14 3dm6 s PHE 150 Cb -0.03 -0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.71 3dm6 s PHE 150 CO -0.07 -0.69 0.09 -1.54 -1.34 0.00 0.00 175.22 171.67 3dm6 s SER 151 N -2.96 0.00 -0.12 1.98 1.04 -0.30 -0.72 113.70 112.62 3dm6 s SER 151 Ca 0.16 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.55 3dm6 s SER 151 Cb 0.04 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.35 3dm6 s SER 151 CO -0.01 -0.19 -0.17 -0.76 0.98 0.00 0.00 173.24 173.09 3dm6 s LEU 152 N -0.66 1.82 -0.28 2.42 1.43 -0.59 -0.44 118.68 122.37 3dm6 s LEU 152 Ca -0.07 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 3dm6 s LEU 152 Cb -0.05 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 45.01 3dm6 s LEU 152 CO 0.00 0.03 0.01 -1.58 0.23 0.00 0.00 176.35 175.04 3dm6 s GLN 153 N 0.98 2.91 -0.33 1.70 0.74 0.19 -1.42 119.66 124.42 3dm6 s GLN 153 Ca -0.06 -0.95 -0.08 0.00 0.05 0.00 0.00 55.36 54.32 3dm6 s GLN 153 Cb -0.15 -3.19 0.03 0.00 1.10 0.00 0.00 33.01 30.80 3dm6 s GLN 153 CO -0.02 -0.45 0.12 -0.51 -0.55 0.00 0.00 175.29 173.88 3dm6 s LEU 154 N 1.40 4.26 -0.32 3.68 1.43 -1.26 -1.30 118.68 126.57 3dm6 s LEU 154 Ca 0.01 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 51.96 3dm6 s LEU 154 Cb -0.17 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 3dm6 s LEU 154 CO -0.01 -0.30 0.45 0.00 0.23 0.00 0.00 176.35 176.72 3dm6 n GLY 156 N 4.77 1.92 1.41 0.00 0.00 -1.26 -3.03 105.19 109.00 3dm6 n GLY 156 Ca -0.06 -2.16 -0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.75 -0.01 -0.78 4.61 0.00 -1.26 -4.97 120.51 115.36 3dm6 n ALA 157 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3dm6 n ALA 157 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3dm6 n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dm6 n GLY 171 N 0.00 -1.15 0.00 0.00 0.00 -1.17 -5.08 105.19 97.79 3dm6 n GLY 171 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3dm6 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dm6 n GLY 172 N 0.00 -1.21 2.92 -0.02 0.00 -0.34 -2.00 105.19 104.54 3dm6 n GLY 172 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 3dm6 n GLY 172 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dm6 s SER 173 N -4.00 -0.06 -0.35 1.61 1.04 -0.42 -0.75 113.70 110.77 3dm6 s SER 173 Ca 0.00 0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.52 3dm6 s SER 173 Cb 0.00 0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.29 3dm6 s SER 173 CO 0.00 -0.05 0.11 -0.32 0.98 0.00 0.00 173.24 173.96 3dm6 s MET 174 N 0.30 2.59 -0.47 4.02 1.75 -1.26 -0.64 119.30 125.58 3dm6 s MET 174 Ca -0.02 -1.23 -0.23 0.00 -1.25 0.00 0.00 55.69 52.96 3dm6 s MET 174 Cb -0.03 -3.47 0.03 0.00 2.84 0.00 0.00 34.83 34.19 3dm6 s MET 174 CO -0.01 -0.70 0.80 0.42 -0.65 0.00 0.00 175.02 174.88 3dm6 s ILE 175 N 1.39 4.62 -0.31 10.11 -1.09 0.41 -4.88 121.20 131.45 3dm6 s ILE 175 Ca -0.01 0.30 -0.16 0.00 -2.23 0.00 0.00 60.65 58.55 3dm6 s ILE 175 Cb -0.20 -4.36 -0.02 0.00 -1.58 0.00 0.00 42.46 36.30 3dm6 s ILE 175 CO 0.02 -0.80 0.44 -0.63 -1.23 0.00 0.00 174.94 172.74 3dm6 s ILE 176 N 3.34 5.10 0.00 2.92 1.01 -1.26 -1.15 121.20 131.16 3dm6 s ILE 176 Ca 0.28 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.39 3dm6 s ILE 176 Cb -0.13 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3dm6 s ILE 176 CO 0.21 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3dm6 n GLY 177 N 4.72 0.77 0.00 6.18 0.00 -0.26 -4.81 105.19 111.79 3dm6 n GLY 177 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.04 -1.10 3.47 -0.02 0.00 -1.25 -4.42 105.19 99.82 3dm6 n GLY 178 Ca 0.00 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.00 2.97 -0.23 -0.61 1.01 -1.26 -4.33 121.20 115.76 3dm6 s ILE 179 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 3dm6 s ILE 179 Cb 0.00 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.31 3dm6 s ILE 179 CO 0.00 0.53 -0.09 -0.62 0.00 0.00 0.00 174.94 174.76 3dm6 s ASP 180 N -0.89 4.05 0.00 3.58 2.15 -1.26 -5.00 116.67 119.30 3dm6 s ASP 180 Ca 0.12 -0.71 0.22 0.00 0.43 0.00 0.00 52.55 52.61 3dm6 s ASP 180 Cb -0.11 -1.64 1.10 0.00 -0.30 0.00 0.00 42.92 41.97 3dm6 s ASP 180 CO 0.02 -0.07 1.69 1.41 -0.17 0.00 0.00 175.17 178.05 3dm6 n HIS 181 N 4.69 0.00 0.71 -5.34 8.25 -1.26 -1.75 115.22 120.51 3dm6 n HIS 181 Ca -0.18 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.40 3dm6 n HIS 181 Cb 0.49 -0.27 0.19 0.00 1.12 0.00 0.00 29.99 31.51 3dm6 n HIS 181 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3dm6 n SER 182 N -1.27 0.61 0.00 0.41 3.41 -1.26 -4.02 113.62 111.50 3dm6 n SER 182 Ca 0.10 -0.01 0.14 0.00 -0.26 0.00 0.00 58.87 58.85 3dm6 n SER 182 Cb 0.17 0.24 0.70 0.00 -0.26 0.00 0.00 64.21 65.05 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 -1.90 0.00 -3.71 1.04 4.77 -0.72 -4.77 117.00 111.71 3dm6 n LEU 183 Ca 0.04 0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 3dm6 n LEU 183 Cb 0.41 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 3dm6 n LEU 183 CO 0.36 -0.00 0.11 -0.72 -1.33 0.00 0.00 177.39 175.82 3dm6 s TYR 184 N -2.76 -0.09 0.33 -1.77 1.13 -1.26 -1.24 117.35 111.69 3dm6 s TYR 184 Ca 0.22 -0.26 0.09 0.00 -1.41 0.00 0.00 57.07 55.71 3dm6 s TYR 184 Cb 0.20 0.20 -0.05 0.00 -1.10 0.00 0.00 41.96 41.21 3dm6 s TYR 184 CO 0.49 -0.70 0.08 0.95 -2.51 0.00 0.00 175.55 173.86 3dm6 s THR 185 N -3.83 2.98 0.00 -3.49 -4.23 -0.96 -4.82 115.64 101.28 3dm6 s THR 185 Ca 0.05 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3dm6 s THR 185 Cb 0.02 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3dm6 s THR 185 CO -0.10 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 3dm6 n GLY 186 N -1.04 -1.35 3.92 3.99 0.00 -1.26 -3.84 105.19 105.61 3dm6 n GLY 186 Ca -0.04 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 3dm6 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dm6 s SER 187 N -4.00 6.38 -0.01 1.61 1.04 -1.26 -4.96 113.70 112.50 3dm6 s SER 187 Ca 0.00 0.33 -0.27 0.00 0.48 0.00 0.00 55.95 56.48 3dm6 s SER 187 Cb 0.00 -1.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 3dm6 s SER 187 CO 0.00 0.11 0.87 -0.76 0.98 0.00 0.00 173.24 174.44 3dm6 s LEU 188 N -2.73 4.36 -0.05 2.42 1.43 -1.26 -4.58 118.68 118.27 3dm6 s LEU 188 Ca 0.36 1.49 0.04 0.00 -1.03 0.00 0.00 54.13 55.00 3dm6 s LEU 188 Cb -0.12 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 3dm6 s LEU 188 CO 0.28 -0.18 -0.16 0.26 0.23 0.00 0.00 176.35 176.77 3dm6 s TRP 189 N 0.82 2.65 -0.11 0.29 0.52 0.14 -4.90 118.94 118.34 3dm6 s TRP 189 Ca 0.46 -0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.33 3dm6 s TRP 189 Cb -0.20 -1.63 -0.01 0.00 -1.15 0.00 0.00 33.47 30.48 3dm6 s TRP 189 CO 0.24 0.11 -0.15 0.71 0.02 0.00 0.00 176.95 177.88 3dm6 s TYR 190 N -0.60 2.75 -0.06 -1.98 1.51 -1.26 0.40 117.35 118.10 3dm6 s TYR 190 Ca 0.09 -0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 55.54 3dm6 s TYR 190 Cb -0.11 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 3dm6 s TYR 190 CO 0.01 -0.16 -0.01 -0.08 -1.11 0.00 0.00 175.55 174.19 3dm6 s THR 191 N 0.13 4.14 0.91 -0.71 -1.32 -0.11 -3.65 115.64 115.03 3dm6 s THR 191 Ca -0.08 -0.40 -0.11 0.00 -1.21 0.00 0.00 61.69 59.89 3dm6 s THR 191 Cb -0.15 -2.76 0.14 0.00 -1.51 0.00 0.00 72.50 68.21 3dm6 s THR 191 CO 0.05 0.54 1.09 -2.84 -2.21 0.00 0.00 174.62 171.25 3dm6 s PRO 192 N -1.07 1.14 -0.51 7.08 0.02 -1.26 0.02 135.00 140.42 3dm6 s PRO 192 Ca 0.15 0.99 -0.18 0.00 0.02 0.00 0.00 61.00 61.98 3dm6 s PRO 192 Cb -0.11 -1.78 0.08 0.00 0.02 0.00 0.00 34.50 32.70 3dm6 s PRO 192 CO 0.04 -2.37 0.55 0.42 -0.33 0.00 0.00 177.00 175.31 3dm6 s ILE 193 N -2.83 5.02 0.30 2.83 1.01 0.29 -4.60 121.20 123.21 3dm6 s ILE 193 Ca 0.64 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.48 3dm6 s ILE 193 Cb -0.19 -4.27 0.30 0.00 0.01 0.00 0.00 42.46 38.30 3dm6 s ILE 193 CO 0.58 -0.78 1.80 -0.09 0.00 0.00 0.00 174.94 176.45 3dm6 h ARG 194 N 8.93 0.82 -2.05 2.79 2.43 -1.46 -3.43 114.38 122.41 3dm6 h ARG 194 Ca -0.28 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 3dm6 h ARG 194 Cb 1.10 -0.19 -0.21 0.00 -0.42 0.00 0.00 29.97 30.25 3dm6 h ARG 194 CO 0.96 0.54 0.06 0.50 -1.51 0.00 0.00 179.97 180.52 3dm6 s ARG 195 N -5.88 0.76 -1.36 0.20 3.52 -1.26 -5.07 118.95 109.86 3dm6 s ARG 195 Ca -0.11 1.07 -0.16 0.00 -0.13 0.00 0.00 55.73 56.40 3dm6 s ARG 195 Cb 0.24 0.28 0.04 0.00 -1.56 0.00 0.00 34.95 33.95 3dm6 s ARG 195 CO 0.80 -0.12 2.01 0.39 -0.81 0.00 0.00 175.30 177.57 3dm6 n GLU 196 N 3.42 2.89 0.00 5.12 1.02 -1.26 -3.91 120.64 127.91 3dm6 n GLU 196 Ca -0.17 -2.83 0.00 0.00 -0.02 0.00 0.00 57.16 54.14 3dm6 n GLU 196 Cb 0.57 -3.37 0.00 0.00 -0.02 0.00 0.00 31.44 28.62 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 7.35 0.00 -0.87 -0.32 4.27 -1.26 -4.64 117.44 121.97 3dm6 n TRP 197 Ca 0.50 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.82 3dm6 n TRP 197 Cb 0.42 0.00 0.25 0.00 -1.36 0.00 0.00 31.31 30.62 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 0.09 0.51 -1.17 -2.67 2.02 -1.26 -2.59 117.35 112.28 3dm6 s TYR 198 Ca 0.00 0.64 -0.18 0.00 -0.37 0.00 0.00 57.07 57.16 3dm6 s TYR 198 Cb 0.00 -3.26 0.11 0.00 -0.40 0.00 0.00 41.96 38.41 3dm6 s TYR 198 CO 0.00 -4.04 1.51 0.71 -1.57 0.00 0.00 175.55 172.16 3dm6 s TYR 199 N -2.77 3.02 0.11 2.71 1.51 -1.26 -4.85 117.35 115.82 3dm6 s TYR 199 Ca 0.69 -1.63 -0.28 0.00 -1.01 0.00 0.00 57.07 54.84 3dm6 s TYR 199 Cb -0.13 -4.54 -0.06 0.00 -0.11 0.00 0.00 41.96 37.12 3dm6 s TYR 199 CO 0.58 -1.65 0.87 -2.00 -1.11 0.00 0.00 175.55 172.23 3dm6 s GLU 200 N 3.28 4.63 0.33 -0.62 2.12 -1.25 -2.10 118.70 125.09 3dm6 s GLU 200 Ca 0.46 1.29 0.07 0.00 0.36 0.00 0.00 54.97 57.14 3dm6 s GLU 200 Cb -0.00 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 3dm6 s GLU 200 CO 0.00 0.32 0.26 0.14 -0.54 0.00 0.00 175.26 175.44 3dm6 s VAL 201 N -0.31 0.05 -0.13 3.70 -7.23 -0.66 -1.18 120.40 114.64 3dm6 s VAL 201 Ca 0.42 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 3dm6 s VAL 201 Cb -0.23 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.27 3dm6 s VAL 201 CO 0.27 0.00 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.40 3dm6 s ILE 202 N -3.46 0.79 0.13 -0.62 1.01 -1.26 -4.05 121.20 113.74 3dm6 s ILE 202 Ca 0.39 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 3dm6 s ILE 202 Cb 0.03 -0.98 -0.06 0.00 0.01 0.00 0.00 42.46 41.45 3dm6 s ILE 202 CO 0.26 0.17 0.92 -0.63 0.00 0.00 0.00 174.94 175.66 3dm6 s ILE 203 N 1.78 4.45 -0.29 2.92 1.01 -1.26 -0.38 121.20 129.43 3dm6 s ILE 203 Ca 0.03 2.00 0.09 0.00 0.00 0.00 0.00 60.65 62.76 3dm6 s ILE 203 Cb -0.14 -4.29 -0.11 0.00 0.01 0.00 0.00 42.46 37.93 3dm6 s ILE 203 CO -0.07 0.37 0.31 1.33 0.00 0.00 0.00 174.94 176.88 3dm6 n VAL 204 N 2.49 0.00 -3.57 2.92 0.24 0.42 -4.76 118.33 116.07 3dm6 n VAL 204 Ca 0.00 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 61.94 3dm6 n VAL 204 Cb 0.49 0.79 -0.04 0.00 -1.47 0.00 0.00 33.84 33.61 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 -2.04 0.59 -0.04 7.34 3.52 -1.24 -4.78 118.95 122.30 3dm6 s ARG 205 Ca 0.01 0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 55.64 3dm6 s ARG 205 Cb 0.06 0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.76 3dm6 s ARG 205 CO 0.36 -0.21 0.03 0.08 -0.81 0.00 0.00 175.30 174.75 3dm6 s VAL 206 N -1.57 0.03 -0.06 7.11 1.01 -1.26 -1.00 120.40 124.65 3dm6 s VAL 206 Ca 0.01 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3dm6 s VAL 206 Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 3dm6 s VAL 206 CO -0.01 0.16 -0.20 -1.61 0.00 0.00 0.00 175.10 173.43 3dm6 s GLU 207 N 1.56 2.27 -0.21 2.72 2.02 -0.35 -1.43 118.70 125.29 3dm6 s GLU 207 Ca -0.03 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 3dm6 s GLU 207 Cb -0.13 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.22 3dm6 s GLU 207 CO -0.03 0.24 -0.06 0.42 0.02 0.00 0.00 175.26 175.85 3dm6 s ILE 208 N 0.13 3.26 -0.09 -1.63 1.01 0.14 -1.19 121.20 122.82 3dm6 s ILE 208 Ca -0.08 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 3dm6 s ILE 208 Cb -0.14 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.87 3dm6 s ILE 208 CO 0.04 0.44 0.14 -3.20 0.00 0.00 0.00 174.94 172.36 3dm6 n ASN 209 N 4.66 -1.21 0.00 3.58 5.15 -0.09 -2.03 115.26 125.31 3dm6 n ASN 209 Ca -0.18 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.77 3dm6 n ASN 209 Cb 0.51 -0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 3dm6 n ASN 209 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dm6 n GLY 210 N 0.01 1.10 3.68 8.20 0.00 -1.26 -4.90 105.19 112.01 3dm6 n GLY 210 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 4.37 0.01 1.61 -1.52 -0.86 -4.95 119.66 118.32 3dm6 s GLN 211 Ca 0.00 1.27 -0.26 0.00 -1.95 0.00 0.00 55.36 54.41 3dm6 s GLN 211 Cb 0.00 -3.56 -0.04 0.00 -0.22 0.00 0.00 33.01 29.19 3dm6 s GLN 211 CO 0.00 -0.33 0.82 0.34 -0.25 0.00 0.00 175.29 175.87 3dm6 s ASP 212 N 1.11 7.23 0.62 5.90 2.15 -1.26 0.23 116.67 132.64 3dm6 s ASP 212 Ca 0.45 1.47 0.32 0.00 0.43 0.00 0.00 52.55 55.22 3dm6 s ASP 212 Cb -0.17 -2.49 1.78 0.00 -0.30 0.00 0.00 42.92 41.73 3dm6 s ASP 212 CO 0.15 -0.09 2.11 -0.07 -0.17 0.00 0.00 175.17 177.10 3dm6 h LEU 213 N 6.21 0.00 -2.39 -1.34 4.07 -1.63 -3.47 115.31 116.76 3dm6 h LEU 213 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 3dm6 h LEU 213 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 3dm6 h LEU 213 CO 0.73 0.00 -0.21 1.17 -1.08 0.00 0.00 178.44 179.05 3dm6 n LYS 214 N -3.52 -1.64 -4.06 1.13 3.00 -1.26 -5.05 118.16 106.76 3dm6 n LYS 214 Ca 0.00 1.67 -0.13 0.00 -0.00 0.00 0.00 58.31 59.85 3dm6 n LYS 214 Cb 0.30 -5.32 -0.11 0.00 0.00 0.00 0.00 35.03 29.89 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 -2.75 0.50 -0.36 1.64 -1.94 -1.26 -5.07 119.30 110.05 3dm6 s MET 215 Ca 0.10 -0.71 -0.39 0.00 -1.71 0.00 0.00 55.69 52.98 3dm6 s MET 215 Cb -0.03 -0.25 -0.15 0.00 2.01 0.00 0.00 34.83 36.41 3dm6 s MET 215 CO 0.69 0.04 1.99 -3.47 -0.01 0.00 0.00 175.02 174.26 3dm6 n ASP 216 N 1.55 1.92 0.21 3.03 2.03 -1.26 -4.72 116.55 119.30 3dm6 n ASP 216 Ca -0.22 0.75 0.17 0.00 0.52 0.00 0.00 54.79 56.00 3dm6 n ASP 216 Cb 0.55 -1.13 0.70 0.00 -0.72 0.00 0.00 41.12 40.52 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 0.00 0.00 3.64 -1.84 -2.00 116.57 116.37 3dm6 h LYS 218 Ca 0.11 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3dm6 h LYS 218 Cb 1.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3dm6 h LYS 218 CO -0.00 0.00 -0.26 0.93 -2.27 0.00 0.00 179.45 177.85 3dm6 h GLU 219 N 0.00 0.00 0.00 1.90 4.39 -0.89 -2.37 114.58 117.61 3dm6 h GLU 219 Ca 0.04 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3dm6 h GLU 219 Cb 0.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3dm6 h GLU 219 CO -0.00 0.26 -0.14 1.88 -1.16 0.00 0.00 179.01 179.85 3dm6 h TYR 220 N 0.00 0.00 0.00 4.33 0.99 -1.54 -3.19 116.97 117.56 3dm6 h TYR 220 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 3dm6 h TYR 220 Cb 0.57 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.29 3dm6 h TYR 220 CO 0.00 0.14 -0.21 0.09 -0.00 0.00 0.00 178.16 178.17 3dm6 n ASN 221 N -3.31 1.99 -4.54 3.88 3.02 -0.91 -4.38 115.26 111.00 3dm6 n ASN 221 Ca 0.00 -3.26 -0.42 0.00 -0.03 0.00 0.00 54.58 50.87 3dm6 n ASN 221 Cb 0.36 -0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 39.02 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 -2.76 3.10 -1.87 3.10 5.04 -1.07 0.72 117.35 123.62 3dm6 s TYR 222 Ca 0.32 0.10 0.21 0.00 -2.44 0.00 0.00 57.07 55.27 3dm6 s TYR 222 Cb 0.30 -3.24 0.60 0.00 0.35 0.00 0.00 41.96 39.97 3dm6 s TYR 222 CO -0.01 -0.76 1.50 -0.40 -1.34 0.00 0.00 175.55 174.55 3dm6 n ASP 223 N 6.14 3.83 -3.61 4.32 3.85 -1.26 -3.19 116.55 126.62 3dm6 n ASP 223 Ca -0.02 -2.00 -0.02 0.00 -0.71 0.00 0.00 54.79 52.04 3dm6 n ASP 223 Cb 0.48 -0.45 -0.02 0.00 -1.35 0.00 0.00 41.12 39.78 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 -1.02 0.18 -0.04 0.11 -2.85 0.22 -4.75 119.74 111.61 3dm6 s LYS 224 Ca 0.46 -0.08 0.05 0.00 -1.00 0.00 0.00 55.97 55.40 3dm6 s LYS 224 Cb 0.24 0.08 -0.01 0.00 -2.06 0.00 0.00 37.83 36.08 3dm6 s LYS 224 CO 0.31 -0.08 -0.18 -1.12 0.10 0.00 0.00 175.35 174.38 3dm6 s SER 225 N -2.25 2.23 0.03 0.03 0.01 -1.26 -0.68 113.70 111.81 3dm6 s SER 225 Ca 0.11 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.03 3dm6 s SER 225 Cb 0.00 -0.53 -0.02 0.00 0.21 0.00 0.00 66.02 65.68 3dm6 s SER 225 CO -0.04 0.18 -0.06 0.27 0.41 0.00 0.00 173.24 174.00 3dm6 s ILE 226 N -0.09 0.41 -0.29 1.44 -4.36 -0.89 -1.65 121.20 115.78 3dm6 s ILE 226 Ca -0.01 -0.86 -0.14 0.00 -0.26 0.00 0.00 60.65 59.37 3dm6 s ILE 226 Cb -0.11 -0.47 -0.03 0.00 1.25 0.00 0.00 42.46 43.10 3dm6 s ILE 226 CO 0.02 -0.31 0.34 -0.69 0.24 0.00 0.00 174.94 174.53 3dm6 s VAL 227 N -1.14 5.20 -0.28 8.37 1.01 -0.89 -0.44 120.40 132.23 3dm6 s VAL 227 Ca -0.09 0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 3dm6 s VAL 227 Cb -0.08 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.70 3dm6 s VAL 227 CO 0.00 0.12 0.12 -0.62 0.00 0.00 0.00 175.10 174.71 3dm6 s ASP 228 N 1.68 3.51 0.38 3.32 2.15 -0.21 -4.53 116.67 122.97 3dm6 s ASP 228 Ca 0.13 -1.28 0.26 0.00 0.43 0.00 0.00 52.55 52.09 3dm6 s ASP 228 Cb -0.16 -0.45 1.35 0.00 -0.30 0.00 0.00 42.92 43.36 3dm6 s ASP 228 CO 0.11 -0.42 1.80 0.77 -0.17 0.00 0.00 175.17 177.25 3dm6 h SER 229 N 8.34 0.00 0.12 -0.34 4.64 -1.84 -2.57 113.55 121.90 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 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3dm6 h SER 229 CO 0.43 0.00 -0.07 0.61 -0.87 0.00 0.00 176.83 176.93 3dm6 n GLY 230 N -0.96 -0.51 3.43 -0.77 0.00 -1.26 -4.68 105.19 100.45 3dm6 n GLY 230 Ca -0.01 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 3dm6 n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dm6 s THR 231 N -2.19 2.83 0.08 2.61 2.01 -0.97 -5.05 115.64 114.96 3dm6 s THR 231 Ca 0.35 -0.80 -0.13 0.00 0.31 0.00 0.00 61.69 61.42 3dm6 s THR 231 Cb 0.21 -2.09 -0.25 0.00 0.01 0.00 0.00 72.50 70.38 3dm6 s THR 231 CO 0.40 0.58 1.18 0.74 -0.69 0.00 0.00 174.62 176.83 3dm6 h THR 232 N 4.49 1.30 -2.60 -0.82 2.02 -1.88 0.30 112.91 115.72 3dm6 h THR 232 Ca -0.43 -2.36 -0.50 0.00 0.77 0.00 0.00 66.41 63.89 3dm6 h THR 232 Cb 1.15 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 70.05 3dm6 h THR 232 CO 0.50 0.72 -0.35 0.20 0.37 0.00 0.00 175.52 176.96 3dm6 s ASN 233 N -7.31 6.34 -0.38 4.18 -0.87 -1.26 -1.23 114.94 114.41 3dm6 s ASN 233 Ca -0.09 0.28 -0.28 0.00 -1.57 0.00 0.00 52.86 51.20 3dm6 s ASN 233 Cb 0.07 -1.96 0.02 0.00 -0.02 0.00 0.00 41.25 39.36 3dm6 s ASN 233 CO 0.92 -0.09 1.03 -0.22 -2.57 0.00 0.00 177.10 176.17 3dm6 s LEU 234 N -3.70 3.88 -0.19 0.60 2.96 -0.88 -2.63 118.68 118.73 3dm6 s LEU 234 Ca 0.37 0.71 -0.06 0.00 -0.22 0.00 0.00 54.13 54.93 3dm6 s LEU 234 Cb -0.10 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 3dm6 s LEU 234 CO 0.30 -0.97 0.01 -0.13 -1.32 0.00 0.00 176.35 174.25 3dm6 s ARG 235 N 3.79 3.74 0.13 1.98 0.52 -0.57 -2.20 118.95 126.35 3dm6 s ARG 235 Ca 0.43 -0.46 0.09 0.00 -0.52 0.00 0.00 55.73 55.27 3dm6 s ARG 235 Cb -0.11 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 3dm6 s ARG 235 CO 0.21 0.14 -0.18 -0.51 0.02 0.00 0.00 175.30 174.98 3dm6 s LEU 236 N 0.68 2.71 0.83 2.53 1.43 0.37 -0.16 118.68 127.07 3dm6 s LEU 236 Ca 0.01 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 3dm6 s LEU 236 Cb -0.14 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.62 3dm6 s LEU 236 CO 0.02 0.17 0.98 -2.65 0.23 0.00 0.00 176.35 175.10 3dm6 n PRO 237 N 0.67 0.06 -0.14 1.29 -0.02 -1.26 -0.59 135.00 135.01 3dm6 n PRO 237 Ca -0.15 0.09 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 3dm6 n PRO 237 Cb 0.53 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.67 3dm6 n PRO 237 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dm6 h LYS 238 N -1.04 -0.32 -0.26 -0.52 3.64 -1.91 0.50 116.57 116.66 3dm6 h LYS 238 Ca -0.45 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.96 3dm6 h LYS 238 Cb 1.30 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 3dm6 h LYS 238 CO 0.43 -0.21 0.14 0.87 -2.27 0.00 0.00 179.45 178.41 3dm6 h LYS 239 N -0.33 0.29 -0.20 1.90 1.57 -1.93 0.66 116.57 118.52 3dm6 h LYS 239 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3dm6 h LYS 239 Cb 0.52 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3dm6 h LYS 239 CO -0.54 0.19 0.13 0.28 -0.57 0.00 0.00 179.45 178.93 3dm6 h VAL 240 N 0.29 1.06 -0.09 0.50 2.07 -1.75 0.14 116.25 118.49 3dm6 h VAL 240 Ca 0.10 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3dm6 h VAL 240 Cb 0.01 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3dm6 h VAL 240 CO -0.06 0.06 0.04 0.15 0.02 0.00 0.00 177.57 177.79 3dm6 h PHE 241 N 0.26 0.12 0.03 1.57 3.57 0.45 1.25 116.94 124.19 3dm6 h PHE 241 Ca 0.07 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3dm6 h PHE 241 Cb -0.01 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 3dm6 h PHE 241 CO -0.06 0.18 -0.24 0.93 -2.23 0.00 0.00 178.31 176.90 3dm6 h GLU 242 N 0.03 -0.37 -0.57 1.11 5.08 -0.82 0.82 114.58 119.87 3dm6 h GLU 242 Ca 0.03 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 3dm6 h GLU 242 Cb 0.10 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.34 3dm6 h GLU 242 CO -0.00 -0.25 -0.04 0.00 -1.00 0.00 0.00 179.01 177.72 3dm6 h ALA 243 N 0.45 0.50 -0.72 3.43 0.00 -0.43 0.24 119.26 122.73 3dm6 h ALA 243 Ca 0.05 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3dm6 h ALA 243 Cb 0.45 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3dm6 h ALA 243 CO -0.19 -0.40 0.31 0.00 0.00 0.00 0.00 179.25 178.96 3dm6 h ALA 244 N 1.53 1.20 0.25 0.00 0.00 0.23 -2.69 119.26 119.78 3dm6 h ALA 244 Ca 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dm6 h ALA 244 Cb 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dm6 h ALA 244 CO -0.51 0.59 -0.12 0.28 0.00 0.00 0.00 179.25 179.49 3dm6 h VAL 245 N 1.03 0.80 -0.62 0.00 2.07 0.20 -2.22 116.25 117.50 3dm6 h VAL 245 Ca 0.24 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.40 3dm6 h VAL 245 Cb 0.15 1.06 -0.12 0.00 -1.52 0.00 0.00 31.29 30.87 3dm6 h VAL 245 CO -0.03 0.10 -0.36 0.50 0.02 0.00 0.00 177.57 177.81 3dm6 h LYS 246 N -0.59 -0.15 0.00 1.57 3.64 -0.43 0.23 116.57 120.84 3dm6 h LYS 246 Ca -0.03 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 3dm6 h LYS 246 Cb 0.43 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3dm6 h LYS 246 CO 0.06 -0.10 -0.83 0.66 -2.27 0.00 0.00 179.45 176.97 3dm6 h SER 247 N -0.16 0.08 0.48 4.20 4.64 -1.53 -0.86 113.55 120.40 3dm6 h SER 247 Ca 0.23 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 3dm6 h SER 247 Cb 0.56 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3dm6 h SER 247 CO -0.71 0.87 -0.34 0.40 -0.87 0.00 0.00 176.83 176.18 3dm6 h ILE 248 N 0.03 1.08 0.05 0.95 2.04 -0.77 -1.61 117.51 119.28 3dm6 h ILE 248 Ca -0.02 -1.25 -0.24 0.00 1.00 0.00 0.00 64.86 64.35 3dm6 h ILE 248 Cb 1.45 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 3dm6 h ILE 248 CO 0.11 0.34 -1.05 0.50 0.00 0.00 0.00 178.15 178.05 3dm6 h LYS 249 N 0.00 0.37 0.18 2.37 3.64 -0.15 -3.12 116.57 119.86 3dm6 h LYS 249 Ca -0.00 -0.46 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3dm6 h LYS 249 Cb 0.68 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3dm6 h LYS 249 CO 0.04 1.15 -0.09 0.00 -2.27 0.00 0.00 179.45 178.29 3dm6 h ALA 250 N 0.67 -1.06 0.00 5.00 0.00 -0.99 -3.13 119.26 119.75 3dm6 h ALA 250 Ca -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3dm6 h ALA 250 Cb 1.72 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3dm6 h ALA 250 CO 0.18 -1.04 0.60 0.00 0.00 0.00 0.00 179.25 178.99 3dm6 h ALA 251 N -1.89 1.48 -0.47 0.00 0.00 -1.39 -2.01 119.26 114.99 3dm6 h ALA 251 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 3dm6 h ALA 251 Cb 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.59 3dm6 h ALA 251 CO 0.04 -0.48 -0.99 -1.13 0.00 0.00 0.00 179.25 176.69 3dm6 n SER 252 N -2.17 2.54 -2.06 0.00 3.41 -1.18 -4.68 113.62 109.48 3dm6 n SER 252 Ca -0.01 -2.62 -0.22 0.00 -0.26 0.00 0.00 58.87 55.76 3dm6 n SER 252 Cb 0.61 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 64.26 3dm6 n SER 252 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dm6 n SER 253 N -0.56 4.75 0.09 4.04 3.41 -0.76 -3.96 113.62 120.63 3dm6 n SER 253 Ca 0.19 -3.38 -0.20 0.00 -0.26 0.00 0.00 58.87 55.21 3dm6 n SER 253 Cb 0.88 -0.85 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 3dm6 n SER 253 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3dm6 h THR 254 N 0.87 1.33 -2.11 6.66 2.02 -1.89 -3.47 112.91 116.32 3dm6 h THR 254 Ca 0.51 -2.55 -0.55 0.00 0.77 0.00 0.00 66.41 64.60 3dm6 h THR 254 Cb 2.01 2.69 -0.09 0.00 -1.74 0.00 0.00 68.15 71.02 3dm6 h THR 254 CO 1.03 0.77 -0.61 -1.61 0.37 0.00 0.00 175.52 175.47 3dm6 s GLU 255 N -2.98 2.36 -0.05 6.66 2.02 -1.25 -5.11 118.70 120.34 3dm6 s GLU 255 Ca -0.08 -1.43 -0.22 0.00 0.02 0.00 0.00 54.97 53.26 3dm6 s GLU 255 Cb 0.06 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 3dm6 s GLU 255 CO 0.92 0.29 0.63 0.15 0.02 0.00 0.00 175.26 177.27 3dm6 s LYS 256 N -3.73 4.39 -0.08 1.61 -0.14 -1.26 -5.07 119.74 115.46 3dm6 s LYS 256 Ca 0.33 0.76 -0.01 0.00 -1.36 0.00 0.00 55.97 55.69 3dm6 s LYS 256 Cb -0.05 -3.41 0.03 0.00 -1.68 0.00 0.00 37.83 32.71 3dm6 s LYS 256 CO 0.21 0.18 -0.03 -0.06 -0.76 0.00 0.00 175.35 174.89 3dm6 s PHE 257 N 0.45 0.97 0.16 3.18 0.40 -1.26 -5.12 117.98 116.75 3dm6 s PHE 257 Ca 0.33 -0.37 -0.31 0.00 -0.60 0.00 0.00 56.93 55.97 3dm6 s PHE 257 Cb -0.17 -0.94 -0.11 0.00 0.51 0.00 0.00 43.02 42.31 3dm6 s PHE 257 CO 0.16 -0.38 1.73 -1.25 0.70 0.00 0.00 175.22 176.18 3dm6 s PRO 258 N 1.75 4.15 0.00 0.24 0.04 -1.26 -4.80 135.00 135.12 3dm6 s PRO 258 Ca 0.03 2.53 -0.02 0.00 0.04 0.00 0.00 61.00 63.59 3dm6 s PRO 258 Cb -0.13 -3.32 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 3dm6 s PRO 258 CO -0.06 -0.76 1.37 -0.40 0.04 0.00 0.00 177.00 177.19 3dm6 n ASP 259 N 4.75 1.77 0.00 6.66 5.75 -1.26 0.46 116.55 134.68 3dm6 n ASP 259 Ca 0.16 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 3dm6 n ASP 259 Cb 0.37 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 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 2.62 0.84 0.25 6.12 0.00 -1.26 -4.69 105.19 109.07 3dm6 n GLY 260 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 0.98 0.00 1.61 3.57 -0.16 -2.34 116.94 120.60 3dm6 h PHE 261 Ca 0.00 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3dm6 h PHE 261 Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 3dm6 h PHE 261 CO 0.00 0.99 0.00 0.91 -2.23 0.00 0.00 178.31 177.98 3dm6 n TRP 262 N -4.24 0.66 1.34 0.41 7.02 -1.25 -0.33 117.44 121.04 3dm6 n TRP 262 Ca -0.01 0.27 0.13 0.00 -1.02 0.00 0.00 57.50 56.88 3dm6 n TRP 262 Cb 0.40 -0.94 0.39 0.00 -2.42 0.00 0.00 31.31 28.75 3dm6 n TRP 262 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3dm6 n LEU 263 N -2.12 1.88 0.00 -0.99 4.77 -1.07 -4.93 117.00 114.54 3dm6 n LEU 263 Ca 0.02 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3dm6 n LEU 263 Cb 0.19 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3dm6 n LEU 263 CO 0.17 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3dm6 n GLY 264 N 1.24 0.24 0.02 -0.72 0.00 0.55 -4.84 105.19 101.67 3dm6 n GLY 264 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3dm6 n GLY 264 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dm6 n GLU 265 N -0.88 0.10 -3.72 1.61 1.02 -0.91 -4.81 120.64 113.05 3dm6 n GLU 265 Ca 0.00 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 3dm6 n GLU 265 Cb 0.24 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.03 3dm6 n GLU 265 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3dm6 s GLN 266 N -2.93 0.18 0.95 3.49 -2.07 -1.17 -4.98 119.66 113.13 3dm6 s GLN 266 Ca 0.14 0.53 -0.12 0.00 -1.82 0.00 0.00 55.36 54.09 3dm6 s GLN 266 Cb 0.18 -0.13 0.16 0.00 -1.09 0.00 0.00 33.01 32.13 3dm6 s GLN 266 CO 0.62 -0.18 1.12 -0.51 -1.32 0.00 0.00 175.29 175.02 3dm6 s LEU 267 N 1.39 1.84 0.06 2.60 1.43 -1.26 -4.19 118.68 120.54 3dm6 s LEU 267 Ca -0.08 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 3dm6 s LEU 267 Cb -0.11 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 3dm6 s LEU 267 CO -0.08 -2.79 -0.08 0.68 0.23 0.00 0.00 176.35 174.31 3dm6 s VAL 268 N -3.15 0.62 0.02 -1.59 -7.23 -0.81 -4.93 120.40 103.33 3dm6 s VAL 268 Ca 0.64 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 3dm6 s VAL 268 Cb -0.16 -0.84 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 3dm6 s VAL 268 CO 0.55 -0.46 -0.03 0.00 -0.31 0.00 0.00 175.10 174.85 3dm6 s TRP 270 N -0.89 1.37 0.47 0.00 0.51 -0.77 -4.96 118.94 114.67 3dm6 s TRP 270 Ca -0.09 -0.93 -0.21 0.00 -2.12 0.00 0.00 56.10 52.75 3dm6 s TRP 270 Cb -0.06 -0.77 -0.08 0.00 -0.81 0.00 0.00 33.47 31.74 3dm6 s TRP 270 CO -0.00 -0.08 1.05 1.14 -0.51 0.00 0.00 176.95 178.54 3dm6 s GLN 271 N -3.86 3.84 -0.06 4.98 -2.07 -1.26 -0.33 119.66 120.90 3dm6 s GLN 271 Ca 0.24 1.43 -0.07 0.00 -1.82 0.00 0.00 55.36 55.15 3dm6 s GLN 271 Cb 0.05 -2.19 -0.08 0.00 -1.09 0.00 0.00 33.01 29.70 3dm6 s GLN 271 CO 0.05 -0.41 0.86 0.00 -1.32 0.00 0.00 175.29 174.48 3dm6 n ALA 272 N -0.78 0.24 0.00 2.60 0.00 -1.19 0.12 120.51 121.49 3dm6 n ALA 272 Ca 0.08 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3dm6 n ALA 272 Cb 0.52 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 4.08 0.68 1.85 0.00 0.00 -1.26 -5.04 105.19 105.49 3dm6 n GLY 273 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 2.94 -2.00 2.61 -2.24 0.12 -4.99 114.28 110.71 3dm6 n THR 274 Ca 0.00 -2.04 -0.42 0.00 -2.27 0.00 0.00 64.05 59.32 3dm6 n THR 274 Cb 0.00 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.81 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 -3.19 3.17 -0.09 4.28 2.01 -1.26 -4.76 115.64 115.79 3dm6 s THR 275 Ca 0.53 0.64 -0.05 0.00 0.31 0.00 0.00 61.69 63.12 3dm6 s THR 275 Cb 0.45 -3.41 -0.22 0.00 0.01 0.00 0.00 72.50 69.33 3dm6 s THR 275 CO 0.09 0.00 3.09 -0.81 -0.69 0.00 0.00 174.62 176.30 3dm6 n PRO 276 N 5.36 1.77 -0.31 4.92 -0.04 -1.26 -4.73 135.00 140.71 3dm6 n PRO 276 Ca 0.15 -0.91 0.17 0.00 -0.04 0.00 0.00 63.50 62.86 3dm6 n PRO 276 Cb 0.41 -1.97 0.35 0.00 -0.04 0.00 0.00 33.50 32.25 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 3.63 0.52 -0.93 0.54 -0.00 -1.94 -1.15 115.95 116.61 3dm6 h TRP 277 Ca 0.20 0.05 0.24 0.00 -0.00 0.00 0.00 58.89 59.37 3dm6 h TRP 277 Cb 1.20 -0.08 -0.13 0.00 -0.00 0.00 0.00 29.16 30.15 3dm6 h TRP 277 CO 1.68 -0.21 0.46 -2.95 -0.00 0.00 0.00 178.44 177.41 3dm6 h ASN 278 N 0.23 0.42 0.86 -3.49 -1.07 -2.02 -2.26 115.58 108.25 3dm6 h ASN 278 Ca 0.61 0.16 0.00 0.00 0.07 0.00 0.00 56.30 57.14 3dm6 h ASN 278 Cb 1.30 0.12 0.00 0.00 -2.07 0.00 0.00 38.32 37.67 3dm6 h ASN 278 CO -0.65 0.00 -0.01 2.30 0.07 0.00 0.00 177.43 179.14 3dm6 n ILE 279 N -5.01 0.00 -3.64 6.14 -5.35 -0.43 -4.68 119.36 106.38 3dm6 n ILE 279 Ca 0.24 -0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.36 3dm6 n ILE 279 Cb 0.72 -0.49 -0.07 0.00 -1.74 0.00 0.00 39.64 38.06 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 -2.86 3.56 0.79 4.28 0.40 -0.85 -3.79 117.98 119.50 3dm6 s PHE 280 Ca 0.19 0.65 -0.08 0.00 -0.60 0.00 0.00 56.93 57.08 3dm6 s PHE 280 Cb 0.19 -2.20 0.11 0.00 0.51 0.00 0.00 43.02 41.64 3dm6 s PHE 280 CO 0.51 0.48 1.11 -1.25 0.70 0.00 0.00 175.22 176.77 3dm6 s PRO 281 N -0.33 1.66 0.26 0.24 0.04 -1.26 -4.81 135.00 130.80 3dm6 s PRO 281 Ca 0.17 -0.43 -0.12 0.00 0.04 0.00 0.00 61.00 60.66 3dm6 s PRO 281 Cb -0.13 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 3dm6 s PRO 281 CO 0.06 -1.62 0.63 0.14 0.04 0.00 0.00 177.00 176.24 3dm6 s VAL 282 N -3.43 4.81 -0.10 -0.36 -7.23 -1.26 -4.24 120.40 108.60 3dm6 s VAL 282 Ca 0.65 0.71 0.00 0.00 -1.81 0.00 0.00 61.98 61.53 3dm6 s VAL 282 Cb -0.08 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.21 3dm6 s VAL 282 CO 0.47 -0.09 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.44 3dm6 s ILE 283 N -1.86 3.39 -0.07 -0.62 1.01 -0.63 -0.91 121.20 121.50 3dm6 s ILE 283 Ca 0.49 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3dm6 s ILE 283 Cb -0.11 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 39.97 3dm6 s ILE 283 CO 0.19 0.56 -0.15 -0.44 0.00 0.00 0.00 174.94 175.10 3dm6 s SER 284 N -0.24 2.06 -0.13 3.58 0.01 -0.33 0.60 113.70 119.25 3dm6 s SER 284 Ca 0.02 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.95 3dm6 s SER 284 Cb -0.13 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.21 3dm6 s SER 284 CO 0.03 0.07 -0.20 -0.76 0.41 0.00 0.00 173.24 172.79 3dm6 s LEU 285 N 0.51 2.23 -0.17 2.44 1.43 -0.55 -1.21 118.68 123.35 3dm6 s LEU 285 Ca -0.14 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 3dm6 s LEU 285 Cb -0.15 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3dm6 s LEU 285 CO 0.04 0.11 0.48 -0.31 0.23 0.00 0.00 176.35 176.91 3dm6 s TYR 286 N 0.63 3.42 0.13 0.29 1.51 -0.17 -0.96 117.35 122.19 3dm6 s TYR 286 Ca -0.11 0.78 0.02 0.00 -1.01 0.00 0.00 57.07 56.76 3dm6 s TYR 286 Cb -0.16 -2.60 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 3dm6 s TYR 286 CO 0.03 0.00 0.25 -0.51 -1.11 0.00 0.00 175.55 174.21 3dm6 s LEU 287 N 1.24 4.29 0.26 -1.29 1.43 -0.12 -0.44 118.68 124.05 3dm6 s LEU 287 Ca 0.24 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 3dm6 s LEU 287 Cb -0.15 -2.87 -0.10 0.00 0.03 0.00 0.00 46.19 43.10 3dm6 s LEU 287 CO 0.09 0.08 1.47 -0.32 0.23 0.00 0.00 176.35 177.90 3dm6 s MET 288 N -3.07 4.23 0.46 1.70 -2.45 0.49 -2.87 119.30 117.80 3dm6 s MET 288 Ca 0.34 2.36 -0.08 0.00 -1.25 0.00 0.00 55.69 57.07 3dm6 s MET 288 Cb -0.11 -3.09 0.11 0.00 1.25 0.00 0.00 34.83 32.99 3dm6 s MET 288 CO 0.28 -0.46 0.59 0.41 1.05 0.00 0.00 175.02 176.88 3dm6 n GLY 289 N 2.12 -1.51 0.11 2.11 0.00 0.15 -4.02 105.19 104.14 3dm6 n GLY 289 Ca 0.07 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.51 3dm6 n GLY 289 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dm6 h GLU 290 N 0.00 0.00 -5.68 1.61 5.08 -1.75 -3.38 114.58 110.46 3dm6 h GLU 290 Ca -0.19 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.49 3dm6 h GLU 290 Cb 0.54 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.49 3dm6 h GLU 290 CO 0.13 0.12 -0.86 0.14 -1.00 0.00 0.00 179.01 177.55 3dm6 s VAL 291 N -3.19 2.29 0.00 3.13 -7.23 -1.26 -5.06 120.40 109.08 3dm6 s VAL 291 Ca -0.01 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 3dm6 s VAL 291 Cb 0.09 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 35.16 3dm6 s VAL 291 CO 0.80 0.56 0.00 0.41 -0.31 0.00 0.00 175.10 176.56 3dm6 n THR 292 N 3.20 0.00 -1.44 5.32 -1.04 -1.26 0.95 114.28 120.01 3dm6 n THR 292 Ca -0.18 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.68 3dm6 n THR 292 Cb 0.52 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.97 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 0.00 -5.46 -4.61 8.00 5.03 -1.26 -5.00 115.26 111.97 3dm6 n ASN 293 Ca 0.00 0.38 -0.34 0.00 0.87 0.00 0.00 54.58 55.48 3dm6 n ASN 293 Cb 0.00 -4.30 -0.10 0.00 -1.02 0.00 0.00 39.78 34.36 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 -3.26 3.73 0.51 3.52 -0.44 0.27 -2.08 119.66 121.92 3dm6 s GLN 294 Ca 0.00 -0.40 0.00 0.00 -2.50 0.00 0.00 55.36 52.47 3dm6 s GLN 294 Cb 0.00 -3.06 0.00 0.00 -1.64 0.00 0.00 33.01 28.31 3dm6 s GLN 294 CO 0.00 0.34 0.03 -1.13 0.50 0.00 0.00 175.29 175.04 3dm6 n SER 295 N 3.28 3.36 -3.38 6.67 3.41 -0.20 0.30 113.62 127.05 3dm6 n SER 295 Ca -0.17 -3.20 -0.14 0.00 -0.26 0.00 0.00 58.87 55.10 3dm6 n SER 295 Cb 0.53 0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.76 3dm6 n SER 295 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3dm6 s PHE 296 N -2.83 0.93 0.02 7.33 -0.12 -1.14 -1.80 117.98 120.37 3dm6 s PHE 296 Ca 0.02 -1.20 0.02 0.00 -0.05 0.00 0.00 56.93 55.73 3dm6 s PHE 296 Cb -0.00 -0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.35 3dm6 s PHE 296 CO 0.02 -1.11 -0.07 -0.98 -0.05 0.00 0.00 175.22 173.03 3dm6 s ARG 297 N -3.21 0.51 -0.16 1.99 1.70 -0.11 -0.95 118.95 118.71 3dm6 s ARG 297 Ca 0.29 -0.46 -0.04 0.00 -0.47 0.00 0.00 55.73 55.05 3dm6 s ARG 297 Cb -0.00 -0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 33.95 3dm6 s ARG 297 CO 0.18 0.10 -0.02 0.96 -1.08 0.00 0.00 175.30 175.44 3dm6 s ILE 298 N -0.68 4.05 -0.19 4.99 -4.36 -0.13 -1.69 121.20 123.18 3dm6 s ILE 298 Ca -0.03 -0.30 -0.01 0.00 -0.26 0.00 0.00 60.65 60.05 3dm6 s ILE 298 Cb -0.06 -2.79 0.01 0.00 1.25 0.00 0.00 42.46 40.87 3dm6 s ILE 298 CO 0.00 0.48 -0.14 -0.89 0.24 0.00 0.00 174.94 174.64 3dm6 s THR 299 N 0.40 2.62 -0.07 8.37 2.01 0.88 -1.49 115.64 128.37 3dm6 s THR 299 Ca -0.03 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 3dm6 s THR 299 Cb -0.14 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3dm6 s THR 299 CO 0.02 0.49 0.09 -0.51 -0.69 0.00 0.00 174.62 174.02 3dm6 s ILE 300 N 1.31 4.92 0.53 1.82 1.10 0.20 -2.11 121.20 128.97 3dm6 s ILE 300 Ca 0.04 -0.14 -0.02 0.00 -0.51 0.00 0.00 60.65 60.03 3dm6 s ILE 300 Cb -0.14 -3.17 0.01 0.00 0.15 0.00 0.00 42.46 39.32 3dm6 s ILE 300 CO -0.08 0.51 0.78 -0.76 -2.11 0.00 0.00 174.94 173.28 3dm6 s LEU 301 N -1.27 3.39 0.53 8.50 1.43 -1.26 -1.61 118.68 128.39 3dm6 s LEU 301 Ca 0.18 0.34 0.29 0.00 -1.03 0.00 0.00 54.13 53.91 3dm6 s LEU 301 Cb -0.12 -3.19 1.44 0.00 0.03 0.00 0.00 46.19 44.36 3dm6 s LEU 301 CO 0.08 -0.97 2.05 -0.65 0.23 0.00 0.00 176.35 177.09 3dm6 h PRO 302 N 0.10 0.00 0.00 1.29 0.11 -1.87 -1.45 132.00 130.17 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3dm6 h PRO 302 CO 0.57 0.11 0.00 1.96 -0.21 0.00 0.00 178.00 180.44 3dm6 h GLN 303 N 0.00 0.00 0.05 1.05 7.50 -1.91 0.24 115.11 122.04 3dm6 h GLN 303 Ca -0.00 0.00 -0.37 0.00 0.50 0.00 0.00 58.65 58.78 3dm6 h GLN 303 Cb 0.39 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.87 3dm6 h GLN 303 CO 0.01 0.00 -2.19 1.04 -1.50 0.00 0.00 178.83 176.20 3dm6 n GLN 304 N -2.50 0.70 0.00 1.46 3.00 -0.56 -4.53 117.38 114.95 3dm6 n GLN 304 Ca -0.01 0.19 0.11 0.00 -0.01 0.00 0.00 57.00 57.29 3dm6 n GLN 304 Cb 0.10 -1.63 0.12 0.00 0.00 0.00 0.00 30.24 28.84 3dm6 n GLN 304 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 3dm6 n TYR 305 N -3.26 0.00 -3.37 1.08 0.18 -1.02 -4.50 117.16 106.27 3dm6 n TYR 305 Ca -0.35 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 58.98 3dm6 n TYR 305 Cb 1.04 -0.13 -0.06 0.00 -0.38 0.00 0.00 39.34 39.82 3dm6 n TYR 305 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3dm6 s LEU 306 N -2.88 6.09 -0.10 -3.48 1.43 0.81 0.05 118.68 120.59 3dm6 s LEU 306 Ca 0.13 -1.87 -0.30 0.00 -1.03 0.00 0.00 54.13 51.06 3dm6 s LEU 306 Cb 0.17 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 3dm6 s LEU 306 CO 0.72 -0.81 1.14 -0.13 0.23 0.00 0.00 176.35 177.51 3dm6 s ARG 307 N 1.47 4.34 0.11 1.70 1.81 0.25 -4.74 118.95 123.89 3dm6 s ARG 307 Ca 0.04 1.56 -0.30 0.00 -1.72 0.00 0.00 55.73 55.31 3dm6 s ARG 307 Cb -0.28 -3.59 -0.07 0.00 -0.45 0.00 0.00 34.95 30.56 3dm6 s ARG 307 CO 0.02 -0.47 1.20 -1.25 -0.68 0.00 0.00 175.30 174.11 3dm6 s PRO 308 N 2.47 4.46 -0.08 3.54 0.04 -1.26 0.87 135.00 145.03 3dm6 s PRO 308 Ca 0.52 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.40 3dm6 s PRO 308 Cb -0.21 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.03 3dm6 s PRO 308 CO 0.18 -0.19 -0.14 0.08 0.04 0.00 0.00 177.00 176.97 3dm6 s VAL 309 N 0.64 1.31 0.19 -0.36 1.01 0.37 -4.89 120.40 118.67 3dm6 s VAL 309 Ca 0.57 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.08 3dm6 s VAL 309 Cb -0.31 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3dm6 s VAL 309 CO 0.32 0.40 -0.21 -0.70 0.00 0.00 0.00 175.10 174.90 3dm6 s GLU 310 N 0.71 1.42 0.00 2.72 2.56 -1.26 -4.12 118.70 120.73 3dm6 s GLU 310 Ca -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 54.97 53.34 3dm6 s GLU 310 Cb -0.16 -1.60 0.00 0.00 2.00 0.00 0.00 34.13 34.38 3dm6 s GLU 310 CO 0.03 0.33 0.00 0.45 -0.56 0.00 0.00 175.26 175.51 3dm6 n SER 315 N 0.18 -0.65 -0.50 -1.70 2.88 -1.26 -5.11 113.62 107.46 3dm6 n SER 315 Ca -0.12 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.51 3dm6 n SER 315 Cb 0.57 0.15 0.02 0.00 -0.75 0.00 0.00 64.21 64.20 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 1.91 1.56 -1.11 -1.46 3.00 -1.26 -5.02 117.38 114.99 3dm6 n GLN 316 Ca 0.00 -1.06 -0.29 0.00 -0.01 0.00 0.00 57.00 55.63 3dm6 n GLN 316 Cb 0.00 -1.35 0.21 0.00 0.00 0.00 0.00 30.24 29.09 3dm6 n GLN 316 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3dm6 s ASP 317 N -1.99 1.82 -0.28 1.08 -0.00 -1.26 -3.19 116.67 112.84 3dm6 s ASP 317 Ca 0.17 0.95 0.01 0.00 -0.00 0.00 0.00 52.55 53.68 3dm6 s ASP 317 Cb 0.15 -1.44 0.06 0.00 -0.00 0.00 0.00 42.92 41.69 3dm6 s ASP 317 CO 0.41 -3.61 -0.06 -1.81 -0.00 0.00 0.00 175.17 170.11 3dm6 s ASP 318 N -3.62 4.64 0.00 0.27 1.01 0.56 -4.71 116.67 114.82 3dm6 s ASP 318 Ca 0.68 -1.42 0.04 0.00 0.71 0.00 0.00 52.55 52.56 3dm6 s ASP 318 Cb -0.15 -1.62 -0.03 0.00 1.01 0.00 0.00 42.92 42.13 3dm6 s ASP 318 CO 0.57 -0.23 -0.10 0.00 0.21 0.00 0.00 175.17 175.61 3dm6 s TYR 320 N -0.93 0.90 -0.11 0.00 1.51 0.48 -0.48 117.35 118.72 3dm6 s TYR 320 Ca 0.15 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3dm6 s TYR 320 Cb -0.11 -0.52 -0.03 0.00 -0.11 0.00 0.00 41.96 41.19 3dm6 s TYR 320 CO 0.06 -0.02 0.01 0.21 -1.11 0.00 0.00 175.55 174.70 3dm6 s LYS 321 N -1.52 3.19 -0.53 -0.62 2.20 0.25 -1.92 119.74 120.78 3dm6 s LYS 321 Ca -0.06 -0.40 -0.27 0.00 -0.36 0.00 0.00 55.97 54.88 3dm6 s LYS 321 Cb -0.09 -2.87 -0.01 0.00 -1.51 0.00 0.00 37.83 33.35 3dm6 s LYS 321 CO 0.01 0.61 1.73 0.12 -0.36 0.00 0.00 175.35 177.46 3dm6 s PHE 322 N -0.62 1.86 -0.50 4.03 5.36 -1.26 -0.58 117.98 126.27 3dm6 s PHE 322 Ca 0.10 0.66 0.05 0.00 -0.96 0.00 0.00 56.93 56.79 3dm6 s PHE 322 Cb -0.12 -4.18 0.37 0.00 -0.34 0.00 0.00 43.02 38.75 3dm6 s PHE 322 CO 0.02 -2.37 1.20 0.00 -1.46 0.00 0.00 175.22 172.62 3dm6 n ALA 323 N 11.34 3.42 -2.95 11.12 0.00 0.11 -4.48 120.51 139.06 3dm6 n ALA 323 Ca 0.19 -1.05 -0.33 0.00 0.00 0.00 0.00 53.44 52.24 3dm6 n ALA 323 Cb 0.50 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 3dm6 n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dm6 s ILE 324 N -1.74 3.62 0.22 0.00 1.01 -1.26 -2.07 121.20 120.97 3dm6 s ILE 324 Ca 0.26 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 3dm6 s ILE 324 Cb 0.21 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3dm6 s ILE 324 CO 0.07 0.51 0.26 -0.94 0.00 0.00 0.00 174.94 174.84 3dm6 s SER 325 N 0.24 0.10 0.47 3.58 1.04 -0.93 -4.90 113.70 113.30 3dm6 s SER 325 Ca -0.05 -1.23 -0.22 0.00 0.48 0.00 0.00 55.95 54.93 3dm6 s SER 325 Cb -0.14 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.36 3dm6 s SER 325 CO 0.04 -0.96 1.10 -1.58 0.98 0.00 0.00 173.24 172.81 3dm6 s GLN 326 N -4.07 3.79 0.03 4.02 0.74 -1.26 -0.48 119.66 122.43 3dm6 s GLN 326 Ca 0.33 1.58 -0.06 0.00 0.05 0.00 0.00 55.36 57.26 3dm6 s GLN 326 Cb 0.04 -2.29 -0.01 0.00 1.10 0.00 0.00 33.01 31.86 3dm6 s GLN 326 CO 0.11 -0.48 0.11 0.45 -0.55 0.00 0.00 175.29 174.94 3dm6 s SER 327 N -1.64 0.13 0.00 6.67 0.15 0.24 -4.70 113.70 114.55 3dm6 s SER 327 Ca 0.65 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.90 3dm6 s SER 327 Cb -0.23 0.22 0.07 0.00 -1.71 0.00 0.00 66.02 64.37 3dm6 s SER 327 CO 0.28 -0.47 0.86 -1.54 1.20 0.00 0.00 173.24 173.57 3dm6 n SER 328 N 0.98 1.83 -0.69 5.45 3.41 -1.26 -3.09 113.62 120.25 3dm6 n SER 328 Ca -0.20 -1.60 0.04 0.00 -0.26 0.00 0.00 58.87 56.85 3dm6 n SER 328 Cb 0.58 -0.04 0.20 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.01 2.26 -0.53 6.66 -2.24 -1.26 -4.76 114.28 114.41 3dm6 n THR 329 Ca 0.03 -2.71 0.00 0.00 -2.27 0.00 0.00 64.05 59.10 3dm6 n THR 329 Cb 0.21 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.12 -2.83 3.80 3.38 0.00 -1.19 -4.48 105.19 102.75 3dm6 n GLY 330 Ca 0.23 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.51 4.28 -0.17 2.61 2.01 0.15 -4.20 115.64 119.80 3dm6 s THR 331 Ca 0.00 1.59 -0.02 0.00 0.31 0.00 0.00 61.69 63.57 3dm6 s THR 331 Cb 0.00 -3.75 0.05 0.00 0.01 0.00 0.00 72.50 68.82 3dm6 s THR 331 CO 0.00 -0.14 0.02 -0.69 -0.69 0.00 0.00 174.62 173.12 3dm6 s VAL 332 N -1.95 0.61 -1.08 3.82 1.01 0.78 -2.09 120.40 121.50 3dm6 s VAL 332 Ca 0.58 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 3dm6 s VAL 332 Cb -0.13 -1.02 0.09 0.00 0.00 0.00 0.00 36.38 35.32 3dm6 s VAL 332 CO 0.18 -0.10 1.43 -0.04 0.00 0.00 0.00 175.10 176.57 3dm6 s MET 333 N 1.83 3.74 0.00 2.72 -1.94 0.42 -1.51 119.30 124.56 3dm6 s MET 333 Ca -0.00 -1.65 0.00 0.00 -1.71 0.00 0.00 55.69 52.33 3dm6 s MET 333 Cb -0.16 -5.25 0.00 0.00 2.01 0.00 0.00 34.83 31.43 3dm6 s MET 333 CO -0.07 -2.06 0.00 0.41 -0.01 0.00 0.00 175.02 173.29 3dm6 n GLY 334 N 5.88 0.57 0.36 -0.03 0.00 -1.08 -1.05 105.19 109.83 3dm6 n GLY 334 Ca 0.35 -1.73 0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.64 1.79 -0.71 4.61 0.00 -0.22 0.39 119.26 123.49 3dm6 h ALA 335 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.04 3dm6 h ALA 335 Cb 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.53 3dm6 h ALA 335 CO 0.00 0.07 0.17 0.28 0.00 0.00 0.00 179.25 179.77 3dm6 h VAL 336 N 0.67 0.55 0.04 0.00 2.07 -1.43 0.13 116.25 118.28 3dm6 h VAL 336 Ca 0.32 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 3dm6 h VAL 336 Cb 0.39 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3dm6 h VAL 336 CO -0.11 0.05 -0.02 0.40 0.02 0.00 0.00 177.57 177.91 3dm6 h ILE 337 N 0.27 1.18 -0.06 4.57 1.08 -1.50 -3.37 117.51 119.68 3dm6 h ILE 337 Ca 0.39 -1.68 0.02 0.00 -0.39 0.00 0.00 64.86 63.20 3dm6 h ILE 337 Cb 0.64 2.15 -0.00 0.00 -3.07 0.00 0.00 36.82 36.54 3dm6 h ILE 337 CO -0.48 0.37 0.07 0.24 -0.69 0.00 0.00 178.15 177.65 3dm6 h MET 338 N -0.92 0.00 0.00 2.37 2.86 -0.36 -1.80 114.93 117.08 3dm6 h MET 338 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3dm6 h MET 338 Cb 0.65 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 3dm6 h MET 338 CO 0.01 0.00 -0.28 0.93 1.06 0.00 0.00 176.91 178.63 3dm6 h GLU 339 N 0.00 0.00 0.00 1.72 5.08 -0.91 -1.75 114.58 118.72 3dm6 h GLU 339 Ca 0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3dm6 h GLU 339 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3dm6 h GLU 339 CO -0.00 0.28 -0.32 0.78 -1.00 0.00 0.00 179.01 178.74 3dm6 h GLY 340 N 1.87 0.00 -3.53 -3.84 0.00 -1.53 -3.40 103.07 92.64 3dm6 h GLY 340 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.94 3dm6 h GLY 340 CO 0.04 0.00 -0.75 -1.36 0.00 0.00 0.00 176.54 174.47 3dm6 s PHE 341 N -4.03 1.31 -0.18 5.60 0.40 -0.66 -2.06 117.98 118.36 3dm6 s PHE 341 Ca -0.02 -0.60 -0.25 0.00 -0.60 0.00 0.00 56.93 55.46 3dm6 s PHE 341 Cb 0.13 -0.69 -0.01 0.00 0.51 0.00 0.00 43.02 42.96 3dm6 s PHE 341 CO 0.69 0.11 0.83 -0.47 0.70 0.00 0.00 175.22 177.08 3dm6 s TYR 342 N -2.35 3.41 -0.22 0.36 5.04 -0.51 -4.38 117.35 118.71 3dm6 s TYR 342 Ca 0.09 1.25 -0.04 0.00 -2.44 0.00 0.00 57.07 55.93 3dm6 s TYR 342 Cb -0.04 -3.02 -0.01 0.00 0.35 0.00 0.00 41.96 39.24 3dm6 s TYR 342 CO 0.02 -0.26 -0.03 0.08 -1.34 0.00 0.00 175.55 174.02 3dm6 s VAL 343 N 2.22 3.46 -0.23 3.14 1.01 -0.51 -2.26 120.40 127.23 3dm6 s VAL 343 Ca 0.38 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 3dm6 s VAL 343 Cb -0.16 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3dm6 s VAL 343 CO 0.12 0.41 0.33 -0.69 0.00 0.00 0.00 175.10 175.27 3dm6 s VAL 344 N 1.49 5.24 -0.85 2.92 1.01 0.22 -1.55 120.40 128.88 3dm6 s VAL 344 Ca 0.06 0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 3dm6 s VAL 344 Cb -0.14 -3.66 0.21 0.00 0.00 0.00 0.00 36.38 32.79 3dm6 s VAL 344 CO -0.03 0.25 0.83 -0.36 0.00 0.00 0.00 175.10 175.79 3dm6 s PHE 345 N 1.43 3.71 -1.22 5.22 0.08 0.10 0.23 117.98 127.53 3dm6 s PHE 345 Ca 0.15 -1.96 -0.13 0.00 0.12 0.00 0.00 56.93 55.12 3dm6 s PHE 345 Cb -0.15 -3.88 0.18 0.00 -0.57 0.00 0.00 43.02 38.60 3dm6 s PHE 345 CO 0.08 -1.05 1.51 -3.47 -0.10 0.00 0.00 175.22 172.18 3dm6 n ASP 346 N 4.22 5.23 -0.03 1.36 2.03 -0.58 -2.04 116.55 126.74 3dm6 n ASP 346 Ca 0.16 -3.01 -0.04 0.00 0.52 0.00 0.00 54.79 52.41 3dm6 n ASP 346 Cb 0.47 -1.54 0.18 0.00 -0.72 0.00 0.00 41.12 39.50 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 6.83 0.60 -0.24 -0.67 3.08 -1.76 -1.24 114.38 120.97 3dm6 h ARG 347 Ca 0.33 -0.21 0.07 0.00 0.07 0.00 0.00 59.98 60.23 3dm6 h ARG 347 Cb 0.82 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3dm6 h ARG 347 CO 1.31 0.75 0.34 0.00 -1.07 0.00 0.00 179.97 181.30 3dm6 h ALA 348 N 1.26 1.81 0.00 0.04 0.00 -1.48 -2.49 119.26 118.41 3dm6 h ALA 348 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dm6 h ALA 348 Cb 0.62 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3dm6 h ALA 348 CO 0.04 -0.46 -0.35 0.54 0.00 0.00 0.00 179.25 179.03 3dm6 n ARG 349 N -3.53 0.73 -4.30 0.00 1.74 -0.91 -5.01 116.66 105.39 3dm6 n ARG 349 Ca 0.03 -2.05 -0.31 0.00 -0.77 0.00 0.00 57.85 54.75 3dm6 n ARG 349 Cb 0.46 -1.01 -0.09 0.00 -1.02 0.00 0.00 32.46 30.81 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 -0.69 -1.20 -3.95 5.56 5.02 -0.56 -4.89 118.16 117.45 3dm6 n LYS 350 Ca 0.10 0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 56.43 3dm6 n LYS 350 Cb 0.72 -3.78 -0.08 0.00 -0.02 0.00 0.00 35.03 31.87 3dm6 n LYS 350 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3dm6 s ARG 351 N -7.29 0.83 -0.11 1.97 1.70 -0.65 -0.55 118.95 114.85 3dm6 s ARG 351 Ca 0.07 -1.08 0.03 0.00 -0.47 0.00 0.00 55.73 54.27 3dm6 s ARG 351 Cb -0.04 0.31 0.01 0.00 -0.57 0.00 0.00 34.95 34.65 3dm6 s ARG 351 CO 0.99 -0.24 -0.20 0.42 -1.08 0.00 0.00 175.30 175.19 3dm6 s ILE 352 N -3.90 1.80 -0.14 4.99 1.01 0.10 -1.53 121.20 123.53 3dm6 s ILE 352 Ca 0.08 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 3dm6 s ILE 352 Cb 0.06 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 3dm6 s ILE 352 CO -0.09 0.50 0.24 -0.83 0.00 0.00 0.00 174.94 174.76 3dm6 s GLY 353 N 0.64 2.19 -0.04 6.18 0.00 0.14 -0.93 107.32 115.50 3dm6 s GLY 353 Ca -0.13 -0.52 0.06 0.00 0.00 0.00 0.00 44.72 44.13 3dm6 s GLY 353 CO 0.03 0.17 -0.21 -1.36 0.00 0.00 0.00 173.10 171.73 3dm6 s PHE 354 N -0.04 2.50 0.06 1.90 0.40 0.16 0.71 117.98 123.68 3dm6 s PHE 354 Ca 0.15 -0.37 -0.06 0.00 -0.60 0.00 0.00 56.93 56.06 3dm6 s PHE 354 Cb -0.13 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 3dm6 s PHE 354 CO 0.04 0.02 0.10 0.00 0.70 0.00 0.00 175.22 176.08 3dm6 s ALA 355 N -0.58 0.02 0.16 5.36 0.00 -0.96 0.23 121.76 125.99 3dm6 s ALA 355 Ca 0.08 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 3dm6 s ALA 355 Cb -0.11 0.34 -0.08 0.00 0.00 0.00 0.00 23.12 23.27 3dm6 s ALA 355 CO 0.00 -0.40 1.28 0.14 0.00 0.00 0.00 175.76 176.79 3dm6 s VAL 356 N -3.39 3.44 0.23 0.00 -7.23 -1.25 -1.42 120.40 110.78 3dm6 s VAL 356 Ca 0.02 1.13 -0.30 0.00 -1.81 0.00 0.00 61.98 61.02 3dm6 s VAL 356 Cb 0.03 -3.72 -0.09 0.00 0.56 0.00 0.00 36.38 33.17 3dm6 s VAL 356 CO -0.08 0.14 1.11 -0.55 -0.31 0.00 0.00 175.10 175.41 3dm6 s SER 357 N 0.56 7.24 0.60 4.85 0.15 -0.88 -2.26 113.70 123.96 3dm6 s SER 357 Ca 0.58 2.20 0.37 0.00 0.70 0.00 0.00 55.95 59.80 3dm6 s SER 357 Cb -0.35 -2.62 1.90 0.00 -1.71 0.00 0.00 66.02 63.25 3dm6 s SER 357 CO 0.35 -0.20 2.20 0.00 1.20 0.00 0.00 173.24 176.78 3dm6 h ALA 358 N 4.50 1.10 -0.31 5.45 0.00 -1.47 -2.76 119.26 125.76 3dm6 h ALA 358 Ca -0.45 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3dm6 h ALA 358 Cb 1.21 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3dm6 h ALA 358 CO 0.70 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.98 3dm6 s HIS 360 N -3.00 2.95 -0.74 0.00 -0.00 -1.04 -4.63 115.29 108.83 3dm6 s HIS 360 Ca 0.43 1.57 -0.26 0.00 -0.00 0.00 0.00 55.06 56.80 3dm6 s HIS 360 Cb 0.37 -3.12 0.03 0.00 -0.00 0.00 0.00 32.58 29.86 3dm6 s HIS 360 CO 0.06 -0.98 1.25 0.14 -0.00 0.00 0.00 174.74 175.20 3dm6 s VAL 361 N -1.90 3.79 0.83 -5.38 -7.23 -1.26 -5.00 120.40 104.24 3dm6 s VAL 361 Ca 0.68 0.31 -0.13 0.00 -1.81 0.00 0.00 61.98 61.03 3dm6 s VAL 361 Cb -0.19 -4.90 0.07 0.00 0.56 0.00 0.00 36.38 31.93 3dm6 s VAL 361 CO 0.22 -1.82 1.05 1.41 -0.31 0.00 0.00 175.10 175.65 3dm6 n HIS 362 N 9.20 0.75 -0.44 2.82 -0.00 -1.26 -4.90 115.22 121.38 3dm6 n HIS 362 Ca 0.03 0.38 0.00 0.00 -0.00 0.00 0.00 57.72 58.13 3dm6 n HIS 362 Cb 0.49 -2.04 0.00 0.00 -0.00 0.00 0.00 29.99 28.43 3dm6 n HIS 362 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3dm6 n ASP 363 N -2.89 0.00 0.00 0.41 2.03 -0.93 -5.07 116.55 110.10 3dm6 n ASP 363 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 3dm6 n ASP 363 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 3dm6 n ASP 363 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3dm6 n GLU 364 N 0.00 0.00 -0.00 -0.67 -0.00 -1.26 -4.78 120.64 113.93 3dm6 n GLU 364 Ca 0.00 -0.08 0.04 0.00 -0.00 0.00 0.00 57.16 57.11 3dm6 n GLU 364 Cb 0.00 -0.32 -0.05 0.00 -0.00 0.00 0.00 31.44 31.07 3dm6 n GLU 364 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3dm6 n PHE 365 N 0.00 0.00 -3.88 -1.84 0.99 -1.26 -5.08 117.46 106.39 3dm6 n PHE 365 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.34 3dm6 n PHE 365 Cb 0.31 -0.13 -0.09 0.00 -1.00 0.00 0.00 39.48 38.57 3dm6 n PHE 365 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3dm6 s ARG 366 N -2.33 0.54 0.09 -1.08 0.52 -1.26 -5.18 118.95 110.26 3dm6 s ARG 366 Ca -0.02 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 3dm6 s ARG 366 Cb 0.05 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 3dm6 s ARG 366 CO 0.30 -0.14 -0.06 0.95 0.02 0.00 0.00 175.30 176.37 3dm6 s THR 367 N -1.85 0.63 0.31 0.02 -4.23 -1.26 -2.20 115.64 107.05 3dm6 s THR 367 Ca -0.11 -1.92 -0.29 0.00 -1.18 0.00 0.00 61.69 58.19 3dm6 s THR 367 Cb -0.05 -1.68 -0.10 0.00 1.34 0.00 0.00 72.50 72.01 3dm6 s THR 367 CO -0.01 -0.88 1.28 0.00 -0.54 0.00 0.00 174.62 174.48 3dm6 s ALA 368 N -3.67 3.49 0.08 3.99 0.00 -1.26 -4.91 121.76 119.49 3dm6 s ALA 368 Ca 0.12 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3dm6 s ALA 368 Cb 0.06 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3dm6 s ALA 368 CO -0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 175.76 175.02 3dm6 s ALA 369 N -0.96 1.11 -0.33 0.00 0.00 -0.90 -4.89 121.76 115.79 3dm6 s ALA 369 Ca 0.49 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.42 3dm6 s ALA 369 Cb -0.38 -0.04 0.10 0.00 0.00 0.00 0.00 23.12 22.79 3dm6 s ALA 369 CO 0.49 0.08 0.08 0.08 0.00 0.00 0.00 175.76 176.49 3dm6 s VAL 370 N -1.67 1.52 0.09 0.00 1.01 -1.26 -0.08 120.40 120.01 3dm6 s VAL 370 Ca -0.00 -1.84 0.09 0.00 0.00 0.00 0.00 61.98 60.23 3dm6 s VAL 370 Cb -0.08 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3dm6 s VAL 370 CO 0.02 -0.64 -0.25 -1.61 0.00 0.00 0.00 175.10 172.62 3dm6 s GLU 371 N 1.28 1.43 0.00 2.72 2.02 -0.68 -4.87 118.70 120.59 3dm6 s GLU 371 Ca 0.10 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.90 3dm6 s GLU 371 Cb -0.18 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.30 3dm6 s GLU 371 CO -0.17 0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.94 3dm6 n GLY 372 N 1.29 -1.78 3.92 -1.39 0.00 -1.26 -0.93 105.19 105.04 3dm6 n GLY 372 Ca -0.18 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.78 2.97 0.23 1.61 0.04 -1.26 -5.07 135.00 131.74 3dm6 s PRO 373 Ca 0.00 -0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.04 3dm6 s PRO 373 Cb 0.00 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 3dm6 s PRO 373 CO 0.00 -0.64 0.03 -0.06 0.04 0.00 0.00 177.00 176.37 3dm6 s PHE 374 N -2.95 1.51 0.00 0.56 0.40 -0.74 -4.98 117.98 111.78 3dm6 s PHE 374 Ca 0.53 -1.03 0.08 0.00 -0.60 0.00 0.00 56.93 55.91 3dm6 s PHE 374 Cb -0.10 -0.88 -0.03 0.00 0.51 0.00 0.00 43.02 42.52 3dm6 s PHE 374 CO 0.45 -0.17 -0.23 0.54 0.70 0.00 0.00 175.22 176.51 3dm6 s VAL 375 N -3.57 2.32 -0.25 -0.44 0.11 -1.26 -1.03 120.40 116.28 3dm6 s VAL 375 Ca 0.31 -1.15 -0.17 0.00 -2.93 0.00 0.00 61.98 58.04 3dm6 s VAL 375 Cb 0.07 -1.87 0.07 0.00 -1.53 0.00 0.00 36.38 33.11 3dm6 s VAL 375 CO 0.10 0.48 0.62 0.42 -3.33 0.00 0.00 175.10 173.39 3dm6 s THR 376 N -0.73 -0.00 -0.88 5.04 -4.23 -0.88 -4.95 115.64 109.00 3dm6 s THR 376 Ca 0.11 0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.40 3dm6 s THR 376 Cb -0.10 -0.90 -0.17 0.00 1.34 0.00 0.00 72.50 72.67 3dm6 s THR 376 CO 0.01 0.01 1.91 0.18 -0.54 0.00 0.00 174.62 176.19 3dm6 n LEU 377 N 3.77 2.92 0.00 4.79 7.99 -1.26 -4.46 117.00 130.75 3dm6 n LEU 377 Ca -0.18 -2.78 0.00 0.00 -0.01 0.00 0.00 56.01 53.04 3dm6 n LEU 377 Cb 0.57 -1.37 0.00 0.00 -0.11 0.00 0.00 43.42 42.51 3dm6 n LEU 377 CO 0.02 -1.60 0.00 -0.67 -1.51 0.00 0.00 177.39 173.63 3dm6 n ASP 381 N 12.12 0.00 -0.04 -1.43 -0.08 -1.26 -5.08 116.55 120.78 3dm6 n ASP 381 Ca 0.46 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.86 3dm6 n ASP 381 Cb 0.44 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.02 3dm6 n ASP 381 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3dm6 s GLY 383 N -2.94 2.11 -0.04 0.00 0.00 -1.26 -3.82 107.32 101.37 3dm6 s GLY 383 Ca 0.11 0.11 -0.13 0.00 0.00 0.00 0.00 44.72 44.81 3dm6 s GLY 383 CO 0.74 0.36 0.35 -0.47 0.00 0.00 0.00 173.10 174.07 3dm6 s TYR 384 N -2.44 3.68 0.00 1.90 5.04 -1.26 -4.94 117.35 119.33 3dm6 s TYR 384 Ca 0.57 0.87 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 3dm6 s TYR 384 Cb -0.10 -2.23 0.00 0.00 0.35 0.00 0.00 41.96 39.98 3dm6 s TYR 384 CO 0.27 0.62 0.41 0.09 -1.34 0.00 0.00 175.55 175.60