#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a81 n ALA 10 N 0.00 1.76 -0.16 -1.46 0.00 -1.26 -4.13 120.51 115.26 1a81 n ALA 10 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1a81 n ALA 10 Cb 0.00 -1.00 0.36 0.00 0.00 0.00 0.00 19.45 18.81 1a81 n ALA 10 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1a81 h ASN 11 N 1.30 0.64 -0.90 0.00 4.21 -2.03 -2.38 115.58 116.41 1a81 h ASN 11 Ca 0.00 -0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.58 1a81 h ASN 11 Cb 0.29 -0.14 -0.07 0.00 -1.12 0.00 0.00 38.32 37.28 1a81 h ASN 11 CO 0.00 0.42 0.56 1.12 -1.29 0.00 0.00 177.43 178.24 1a81 h HIS 12 N 0.73 1.04 -1.89 1.19 2.07 -1.98 -3.42 115.15 112.88 1a81 h HIS 12 Ca 0.29 0.03 -0.62 0.00 -2.85 0.00 0.00 60.37 57.22 1a81 h HIS 12 Cb 0.21 -0.33 0.01 0.00 2.57 0.00 0.00 27.41 29.87 1a81 h HIS 12 CO -0.00 0.51 1.21 1.28 -3.07 0.00 0.00 177.93 177.86 1a81 n LEU 13 N -4.61 3.26 0.00 6.12 4.77 -0.90 -4.86 117.00 120.79 1a81 n LEU 13 Ca 0.14 0.77 0.06 0.00 -0.03 0.00 0.00 56.01 56.96 1a81 n LEU 13 Cb 0.21 -1.39 0.29 0.00 -2.33 0.00 0.00 43.42 40.20 1a81 n LEU 13 CO 0.30 -0.23 0.71 -0.81 -1.33 0.00 0.00 177.39 176.03 1a81 n PRO 14 N 7.25 0.01 -0.83 3.23 -0.05 -1.26 -2.16 135.00 141.18 1a81 n PRO 14 Ca 0.26 0.26 -0.06 0.00 -0.05 0.00 0.00 63.50 63.92 1a81 n PRO 14 Cb 0.31 -1.50 0.20 0.00 -0.05 0.00 0.00 33.50 32.46 1a81 n PRO 14 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 175.50 177.42 1a81 n PHE 15 N -1.49 1.30 -4.42 0.54 -1.74 -1.26 0.17 117.46 110.56 1a81 n PHE 15 Ca 0.03 -1.58 -0.33 0.00 -0.56 0.00 0.00 57.45 55.01 1a81 n PHE 15 Cb 0.15 -0.53 -0.16 0.00 1.52 0.00 0.00 39.48 40.46 1a81 n PHE 15 CO 0.00 0.00 0.00 0.12 -0.56 0.00 0.00 176.76 176.32 1a81 s PHE 16 N -3.23 2.76 -0.27 2.97 5.36 -0.92 0.84 117.98 125.49 1a81 s PHE 16 Ca 0.46 -1.29 0.03 0.00 -0.96 0.00 0.00 56.93 55.17 1a81 s PHE 16 Cb 0.41 -1.89 0.07 0.00 -0.34 0.00 0.00 43.02 41.27 1a81 s PHE 16 CO 0.02 -0.61 -0.06 -0.06 -1.46 0.00 0.00 175.22 173.04 1a81 s PHE 17 N 0.99 3.18 0.00 10.12 0.08 -0.00 -4.65 117.98 127.70 1a81 s PHE 17 Ca -0.02 -2.36 0.00 0.00 0.12 0.00 0.00 56.93 54.67 1a81 s PHE 17 Cb -0.15 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 1a81 s PHE 17 CO -0.04 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 174.61 1a81 n GLY 18 N 4.44 0.00 3.50 4.36 0.00 -1.25 -3.84 105.19 112.39 1a81 n GLY 18 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1a81 n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a81 s ASN 19 N 0.00 6.24 0.28 1.61 3.84 0.17 -2.19 114.94 124.88 1a81 s ASN 19 Ca 0.00 -0.96 0.12 0.00 0.21 0.00 0.00 52.86 52.23 1a81 s ASN 19 Cb 0.00 -2.48 -0.05 0.00 -0.55 0.00 0.00 41.25 38.17 1a81 s ASN 19 CO 0.00 -1.54 -0.17 -0.63 -2.79 0.00 0.00 177.10 171.96 1a81 s ILE 20 N 4.57 2.61 0.33 -5.21 1.09 -1.25 -4.52 121.20 118.82 1a81 s ILE 20 Ca 0.30 -2.33 0.07 0.00 -1.10 0.00 0.00 60.65 57.58 1a81 s ILE 20 Cb -0.11 -2.37 -0.01 0.00 -1.06 0.00 0.00 42.46 38.90 1a81 s ILE 20 CO 0.08 -0.39 0.44 0.28 -0.10 0.00 0.00 174.94 175.26 1a81 s THR 21 N -2.46 4.10 0.17 2.92 -1.32 -1.26 -4.83 115.64 112.97 1a81 s THR 21 Ca 0.30 -1.03 -0.23 0.00 -1.21 0.00 0.00 61.69 59.52 1a81 s THR 21 Cb -0.05 -3.42 0.08 0.00 -1.51 0.00 0.00 72.50 67.60 1a81 s THR 21 CO 0.16 -0.17 1.58 -0.09 -2.21 0.00 0.00 174.62 173.89 1a81 h ARG 22 N 0.95 -0.21 0.42 7.08 2.43 -1.99 -0.58 114.38 122.49 1a81 h ARG 22 Ca -0.46 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1a81 h ARG 22 Cb 1.25 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1a81 h ARG 22 CO 0.54 -0.14 -0.31 0.93 -1.51 0.00 0.00 179.97 179.48 1a81 h GLU 23 N -0.22 -0.69 -0.93 0.20 3.07 -1.99 0.41 114.58 114.43 1a81 h GLU 23 Ca 0.20 0.05 0.27 0.00 -0.50 0.00 0.00 59.36 59.37 1a81 h GLU 23 Cb 0.56 0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.59 1a81 h GLU 23 CO -0.64 -0.46 0.73 1.49 -1.40 0.00 0.00 179.01 178.73 1a81 h GLU 24 N -0.72 0.00 0.17 2.33 4.81 -1.79 -1.34 114.58 118.03 1a81 h GLU 24 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1a81 h GLU 24 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1a81 h GLU 24 CO 0.01 0.00 -0.08 0.00 -0.73 0.00 0.00 179.01 178.21 1a81 h ALA 25 N 1.41 -0.29 -1.17 2.92 0.00 -0.15 -3.11 119.26 118.87 1a81 h ALA 25 Ca 0.44 -0.05 0.34 0.00 0.00 0.00 0.00 54.91 55.64 1a81 h ALA 25 Cb 1.90 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1a81 h ALA 25 CO -0.00 -0.27 1.07 0.93 0.00 0.00 0.00 179.25 180.97 1a81 h GLU 26 N -0.77 0.00 0.31 0.00 5.08 0.14 0.41 114.58 119.75 1a81 h GLU 26 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1a81 h GLU 26 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1a81 h GLU 26 CO 0.04 0.00 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.46 1a81 h ASP 27 N 0.00 -0.35 -0.94 1.42 3.32 -1.45 -3.12 116.42 115.29 1a81 h ASP 27 Ca 0.56 0.01 0.39 0.00 0.02 0.00 0.00 57.03 58.01 1a81 h ASP 27 Cb 2.69 0.09 -0.17 0.00 0.22 0.00 0.00 39.33 42.16 1a81 h ASP 27 CO -0.01 0.02 0.50 -1.22 -1.72 0.00 0.00 179.24 176.81 1a81 n TYR 28 N -4.62 1.09 0.31 4.55 4.01 0.09 -0.32 117.16 122.28 1a81 n TYR 28 Ca -0.05 1.11 -0.17 0.00 -0.16 0.00 0.00 57.90 58.63 1a81 n TYR 28 Cb 0.16 -1.51 -0.09 0.00 -0.31 0.00 0.00 39.34 37.60 1a81 n TYR 28 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1a81 h LEU 29 N 0.00 -0.62 -0.21 7.72 3.38 -1.45 0.27 115.31 124.39 1a81 h LEU 29 Ca 0.80 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.75 1a81 h LEU 29 Cb 2.10 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 43.01 1a81 h LEU 29 CO -0.73 -0.44 0.01 -0.37 0.09 0.00 0.00 178.44 177.00 1a81 h VAL 30 N -0.75 1.25 0.00 1.22 -1.51 -1.02 0.23 116.25 115.67 1a81 h VAL 30 Ca -0.08 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 1a81 h VAL 30 Cb 0.57 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1a81 h VAL 30 CO 0.12 0.26 0.00 0.00 -1.23 0.00 0.00 177.57 176.72 1a81 n GLN 31 N -4.69 0.30 -0.00 5.19 10.64 0.57 -0.61 117.38 128.77 1a81 n GLN 31 Ca -0.04 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.17 1a81 n GLN 31 Cb 0.22 -1.37 -0.06 0.00 -0.86 0.00 0.00 30.24 28.18 1a81 n GLN 31 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1a81 n GLY 32 N -0.36 -0.09 0.00 2.61 0.00 0.93 -4.99 105.19 103.30 1a81 n GLY 32 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1a81 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a81 n GLY 33 N 1.55 1.26 2.04 -0.02 0.00 0.22 -4.78 105.19 105.46 1a81 n GLY 33 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1a81 n GLY 33 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a81 n MET 34 N 0.00 -1.38 -2.30 1.61 1.56 0.52 -4.87 117.12 112.26 1a81 n MET 34 Ca 0.00 0.65 -0.42 0.00 -0.27 0.00 0.00 57.70 57.66 1a81 n MET 34 Cb 0.00 -4.79 -0.03 0.00 2.15 0.00 0.00 33.22 30.56 1a81 n MET 34 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1a81 s SER 35 N -1.89 6.91 0.18 6.12 1.04 -1.26 -4.47 113.70 120.32 1a81 s SER 35 Ca 0.00 2.00 -0.30 0.00 0.48 0.00 0.00 55.95 58.13 1a81 s SER 35 Cb 0.00 -2.56 -0.17 0.00 0.10 0.00 0.00 66.02 63.39 1a81 s SER 35 CO 0.00 -0.69 0.69 0.47 0.98 0.00 0.00 173.24 174.69 1a81 n ASP 36 N 5.50 -0.65 0.00 7.02 9.92 -1.25 -1.27 116.55 135.81 1a81 n ASP 36 Ca 0.13 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 1a81 n ASP 36 Cb 0.44 -1.00 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 1a81 n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a81 n GLY 37 N 1.85 0.77 3.77 0.44 0.00 0.59 -4.77 105.19 107.83 1a81 n GLY 37 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1a81 n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a81 s LEU 38 N 0.00 4.48 0.23 0.99 0.20 -0.40 -1.42 118.68 122.76 1a81 s LEU 38 Ca 0.00 1.39 -0.14 0.00 0.69 0.00 0.00 54.13 56.06 1a81 s LEU 38 Cb 0.00 -3.11 0.00 0.00 -0.43 0.00 0.00 46.19 42.65 1a81 s LEU 38 CO 0.00 0.12 0.48 -0.72 -0.29 0.00 0.00 176.35 175.94 1a81 s TYR 39 N -0.47 0.20 0.05 5.38 -0.85 -0.71 0.19 117.35 121.14 1a81 s TYR 39 Ca 0.35 -0.57 -0.24 0.00 -0.52 0.00 0.00 57.07 56.09 1a81 s TYR 39 Cb -0.20 0.25 0.06 0.00 0.38 0.00 0.00 41.96 42.45 1a81 s TYR 39 CO 0.22 -0.96 0.56 -0.48 -1.52 0.00 0.00 175.55 173.37 1a81 s LEU 40 N -2.97 -0.26 -0.10 -3.49 0.05 -0.40 0.97 118.68 112.48 1a81 s LEU 40 Ca 0.17 0.23 -0.00 0.00 0.05 0.00 0.00 54.13 54.58 1a81 s LEU 40 Cb -0.01 2.28 -0.03 0.00 -2.05 0.00 0.00 46.19 46.39 1a81 s LEU 40 CO 0.05 -0.75 -0.08 -0.22 -0.55 0.00 0.00 176.35 174.80 1a81 s LEU 41 N -1.99 3.07 0.09 1.48 1.98 0.25 -2.24 118.68 121.31 1a81 s LEU 41 Ca -0.05 -0.13 -0.03 0.00 -2.89 0.00 0.00 54.13 51.03 1a81 s LEU 41 Cb -0.01 -1.69 -0.03 0.00 0.66 0.00 0.00 46.19 45.13 1a81 s LEU 41 CO -0.02 0.26 0.07 0.00 -1.89 0.00 0.00 176.35 174.77 1a81 s ARG 42 N -0.22 0.78 0.25 1.98 1.70 -0.63 -0.82 118.95 121.99 1a81 s ARG 42 Ca 0.03 -1.21 -0.30 0.00 -0.47 0.00 0.00 55.73 53.79 1a81 s ARG 42 Cb -0.13 0.26 -0.09 0.00 -0.57 0.00 0.00 34.95 34.42 1a81 s ARG 42 CO 0.03 -0.21 1.19 -1.14 -1.08 0.00 0.00 175.30 174.09 1a81 s GLN 43 N -3.94 4.51 0.53 3.89 0.74 -0.93 0.37 119.66 124.83 1a81 s GLN 43 Ca 0.11 1.93 -0.17 0.00 0.05 0.00 0.00 55.36 57.29 1a81 s GLN 43 Cb 0.07 -3.18 -0.07 0.00 1.10 0.00 0.00 33.01 30.92 1a81 s GLN 43 CO -0.07 -0.01 1.01 0.45 -0.55 0.00 0.00 175.29 176.12 1a81 s SER 44 N -0.35 6.41 -0.13 6.67 0.15 -1.23 -4.59 113.70 120.63 1a81 s SER 44 Ca 0.49 1.66 0.17 0.00 0.70 0.00 0.00 55.95 58.97 1a81 s SER 44 Cb -0.34 -2.52 0.33 0.00 -1.71 0.00 0.00 66.02 61.78 1a81 s SER 44 CO 0.42 -0.74 1.21 0.54 1.20 0.00 0.00 173.24 175.87 1a81 n ARG 45 N -1.61 1.90 0.00 5.44 1.74 -1.26 -4.54 116.66 118.33 1a81 n ARG 45 Ca 0.07 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 1a81 n ARG 45 Cb 0.54 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1a81 n ARG 45 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1a81 n ASN 46 N -1.06 0.00 -3.86 0.55 6.94 -1.26 -4.78 115.26 111.79 1a81 n ASN 46 Ca 0.16 -0.61 -0.29 0.00 -0.02 0.00 0.00 54.58 53.82 1a81 n ASN 46 Cb 0.67 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.93 1a81 n ASN 46 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1a81 s TYR 47 N 0.00 1.72 0.13 -2.53 1.51 -1.26 -2.08 117.35 114.84 1a81 s TYR 47 Ca 0.00 -1.23 -0.32 0.00 -1.01 0.00 0.00 57.07 54.51 1a81 s TYR 47 Cb 0.00 -1.31 -0.18 0.00 -0.11 0.00 0.00 41.96 40.36 1a81 s TYR 47 CO 0.00 -0.66 0.70 1.28 -1.11 0.00 0.00 175.55 175.76 1a81 n LEU 48 N 4.86 -0.81 -0.77 -1.29 7.99 -1.26 -2.48 117.00 123.24 1a81 n LEU 48 Ca -0.11 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.02 1a81 n LEU 48 Cb 0.46 -0.93 0.00 0.00 -0.11 0.00 0.00 43.42 42.84 1a81 n LEU 48 CO 0.16 -2.59 0.00 0.61 -1.51 0.00 0.00 177.39 174.06 1a81 n GLY 49 N 1.81 -0.01 0.00 -0.72 0.00 -1.26 -4.55 105.19 100.45 1a81 n GLY 49 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1a81 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a81 n GLY 50 N -0.01 1.17 3.45 -0.02 0.00 -1.04 -4.63 105.19 104.11 1a81 n GLY 50 Ca 0.00 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 1a81 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a81 s PHE 51 N 1.10 0.84 -0.02 1.61 0.40 0.40 -3.56 117.98 118.76 1a81 s PHE 51 Ca 0.00 -1.11 0.02 0.00 -0.60 0.00 0.00 56.93 55.24 1a81 s PHE 51 Cb 0.00 -0.11 0.00 0.00 0.51 0.00 0.00 43.02 43.42 1a81 s PHE 51 CO 0.00 -0.96 -0.06 0.00 0.70 0.00 0.00 175.22 174.90 1a81 s ALA 52 N -3.69 0.60 -0.13 5.36 0.00 0.16 0.21 121.76 124.27 1a81 s ALA 52 Ca 0.30 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1a81 s ALA 52 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1a81 s ALA 52 CO 0.14 0.10 -0.15 -1.17 0.00 0.00 0.00 175.76 174.68 1a81 s LEU 53 N 0.16 2.60 -0.08 0.00 0.20 0.46 -1.61 118.68 120.41 1a81 s LEU 53 Ca -0.02 -0.38 0.04 0.00 0.69 0.00 0.00 54.13 54.47 1a81 s LEU 53 Cb -0.06 -1.58 0.00 0.00 -0.43 0.00 0.00 46.19 44.12 1a81 s LEU 53 CO -0.00 0.16 -0.21 -0.94 -0.29 0.00 0.00 176.35 175.07 1a81 s SER 54 N 0.40 2.68 -0.02 3.68 1.04 -0.95 0.22 113.70 120.74 1a81 s SER 54 Ca -0.12 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.87 1a81 s SER 54 Cb -0.16 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.88 1a81 s SER 54 CO 0.06 0.15 -0.08 0.68 0.98 0.00 0.00 173.24 175.02 1a81 s VAL 55 N 0.28 0.71 -0.17 5.02 -7.23 0.46 -1.28 120.40 118.20 1a81 s VAL 55 Ca -0.13 -0.32 -0.29 0.00 -1.81 0.00 0.00 61.98 59.42 1a81 s VAL 55 Cb -0.16 -0.64 -0.00 0.00 0.56 0.00 0.00 36.38 36.14 1a81 s VAL 55 CO 0.06 0.23 1.04 0.00 -0.31 0.00 0.00 175.10 176.12 1a81 s ALA 56 N 0.21 3.57 -0.30 1.32 0.00 0.52 -1.32 121.76 125.76 1a81 s ALA 56 Ca -0.03 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 1a81 s ALA 56 Cb -0.08 -3.51 0.15 0.00 0.00 0.00 0.00 23.12 19.68 1a81 s ALA 56 CO 0.00 -0.87 0.75 -1.58 0.00 0.00 0.00 175.76 174.07 1a81 s HIS 57 N 2.71 -1.16 0.00 0.00 5.04 -0.94 -0.30 115.29 120.64 1a81 s HIS 57 Ca 0.46 1.90 0.00 0.00 -1.54 0.00 0.00 55.06 55.88 1a81 s HIS 57 Cb -0.17 0.65 0.00 0.00 0.04 0.00 0.00 32.58 33.11 1a81 s HIS 57 CO 0.12 -0.58 0.00 0.41 -2.34 0.00 0.00 174.74 172.34 1a81 n GLY 58 N 5.32 0.72 4.99 1.59 0.00 -1.26 -3.57 105.19 112.97 1a81 n GLY 58 Ca -0.10 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1a81 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a81 n ARG 59 N -0.76 0.00 -2.38 1.61 1.74 -1.26 -4.87 116.66 110.73 1a81 n ARG 59 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1a81 n ARG 59 Cb 0.45 -3.52 0.06 0.00 -1.02 0.00 0.00 32.46 28.42 1a81 n ARG 59 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a81 s LYS 60 N 0.00 2.34 0.03 5.56 1.02 -1.23 -5.06 119.74 122.39 1a81 s LYS 60 Ca 0.00 -0.48 0.05 0.00 0.02 0.00 0.00 55.97 55.56 1a81 s LYS 60 Cb 0.00 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1a81 s LYS 60 CO 0.00 -1.02 -0.10 0.00 -0.92 0.00 0.00 175.35 173.31 1a81 s ALA 61 N -3.05 2.91 -0.18 5.17 0.00 -1.26 -2.22 121.76 123.14 1a81 s ALA 61 Ca 0.59 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1a81 s ALA 61 Cb -0.11 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.04 1a81 s ALA 61 CO 0.42 0.61 -0.17 -1.01 0.00 0.00 0.00 175.76 175.61 1a81 s HIS 62 N -1.02 2.61 -0.22 0.00 3.76 -0.43 -4.97 115.29 115.02 1a81 s HIS 62 Ca 0.17 -1.58 -0.08 0.00 -0.15 0.00 0.00 55.06 53.42 1a81 s HIS 62 Cb -0.11 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 1a81 s HIS 62 CO 0.08 -0.77 0.09 -1.01 -0.85 0.00 0.00 174.74 172.28 1a81 s HIS 63 N 1.34 3.19 -0.08 1.40 3.76 -1.26 -0.40 115.29 123.24 1a81 s HIS 63 Ca 0.03 -0.09 0.05 0.00 -0.15 0.00 0.00 55.06 54.90 1a81 s HIS 63 Cb -0.14 -2.18 -0.01 0.00 1.11 0.00 0.00 32.58 31.36 1a81 s HIS 63 CO -0.11 -0.07 -0.23 0.71 -0.85 0.00 0.00 174.74 174.18 1a81 s TYR 64 N 1.02 2.52 -0.31 1.40 2.02 0.59 -4.93 117.35 119.66 1a81 s TYR 64 Ca 0.05 -0.80 -0.12 0.00 -0.37 0.00 0.00 57.07 55.84 1a81 s TYR 64 Cb -0.14 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1a81 s TYR 64 CO 0.03 -0.26 0.20 -0.08 -1.57 0.00 0.00 175.55 173.87 1a81 s THR 65 N 0.01 5.17 -0.54 -0.71 -1.32 -1.26 0.17 115.64 117.16 1a81 s THR 65 Ca -0.08 -0.09 -0.21 0.00 -1.21 0.00 0.00 61.69 60.10 1a81 s THR 65 Cb -0.15 -3.57 0.06 0.00 -1.51 0.00 0.00 72.50 67.33 1a81 s THR 65 CO 0.05 0.11 0.73 -0.63 -2.21 0.00 0.00 174.62 172.68 1a81 s ILE 66 N 1.72 4.71 0.27 5.08 1.01 0.57 -4.23 121.20 130.33 1a81 s ILE 66 Ca 0.06 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.20 1a81 s ILE 66 Cb -0.17 -4.40 -0.08 0.00 0.01 0.00 0.00 42.46 37.82 1a81 s ILE 66 CO 0.10 -0.96 0.70 -1.61 0.00 0.00 0.00 174.94 173.17 1a81 s GLU 67 N 3.05 4.08 -0.38 2.79 2.02 -1.24 0.15 118.70 129.17 1a81 s GLU 67 Ca 0.19 0.70 -0.20 0.00 0.02 0.00 0.00 54.97 55.67 1a81 s GLU 67 Cb -0.18 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.41 1a81 s GLU 67 CO 0.13 0.28 0.64 0.50 0.02 0.00 0.00 175.26 176.83 1a81 s ARG 68 N -2.52 3.56 0.28 1.61 6.06 -1.26 -0.99 118.95 125.68 1a81 s ARG 68 Ca 0.48 -0.08 -0.29 0.00 -2.50 0.00 0.00 55.73 53.34 1a81 s ARG 68 Cb -0.13 -3.85 -0.10 0.00 0.06 0.00 0.00 34.95 30.93 1a81 s ARG 68 CO 0.19 -0.82 1.27 -1.21 -2.50 0.00 0.00 175.30 172.23 1a81 s GLU 69 N 2.75 4.42 0.49 5.12 0.41 0.68 -4.89 118.70 127.68 1a81 s GLU 69 Ca 0.24 2.09 0.32 0.00 -0.41 0.00 0.00 54.97 57.21 1a81 s GLU 69 Cb -0.14 -3.13 1.43 0.00 -1.78 0.00 0.00 34.13 30.51 1a81 s GLU 69 CO 0.16 -0.13 1.74 -0.07 -0.49 0.00 0.00 175.26 176.47 1a81 h LEU 70 N 4.02 0.16 0.00 1.80 4.07 -1.97 1.56 115.31 124.96 1a81 h LEU 70 Ca -0.47 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1a81 h LEU 70 Cb 1.22 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1a81 h LEU 70 CO 0.69 -0.01 0.00 0.59 -1.08 0.00 0.00 178.44 178.63 1a81 n ASN 71 N -4.36 0.00 0.00 -0.43 3.02 -1.26 -4.71 115.26 107.52 1a81 n ASN 71 Ca 0.30 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1a81 n ASN 71 Cb 1.27 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 1a81 n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a81 n GLY 72 N -1.21 0.91 3.93 7.41 0.00 0.53 -5.03 105.19 111.73 1a81 n GLY 72 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1a81 n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a81 s THR 73 N -3.05 5.12 0.12 2.61 -4.23 -1.09 -4.83 115.64 110.29 1a81 s THR 73 Ca 0.00 -0.34 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 1a81 s THR 73 Cb 0.00 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 1a81 s THR 73 CO 0.00 -0.40 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.23 1a81 s TYR 74 N -2.14 2.63 -0.30 3.99 2.02 -0.78 0.25 117.35 123.02 1a81 s TYR 74 Ca 0.40 -0.21 -0.15 0.00 -0.37 0.00 0.00 57.07 56.74 1a81 s TYR 74 Cb -0.10 -1.38 0.16 0.00 -0.40 0.00 0.00 41.96 40.24 1a81 s TYR 74 CO 0.33 0.41 0.96 0.00 -1.57 0.00 0.00 175.55 175.68 1a81 s ALA 75 N -1.22 -2.54 0.18 3.71 0.00 -0.16 -0.29 121.76 121.44 1a81 s ALA 75 Ca 0.20 2.12 -0.33 0.00 0.00 0.00 0.00 51.96 53.94 1a81 s ALA 75 Cb -0.11 -1.94 -0.14 0.00 0.00 0.00 0.00 23.12 20.94 1a81 s ALA 75 CO 0.12 -0.78 1.54 -0.89 0.00 0.00 0.00 175.76 175.74 1a81 n ILE 76 N 4.66 0.21 -1.51 0.00 -0.00 -1.26 -3.63 119.36 117.83 1a81 n ILE 76 Ca -0.12 -0.05 -0.53 0.00 -0.00 0.00 0.00 62.75 62.04 1a81 n ILE 76 Cb 0.54 -1.52 -0.06 0.00 -0.00 0.00 0.00 39.64 38.60 1a81 n ILE 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a81 n ALA 77 N 3.06 -2.44 -0.12 -1.39 0.00 -1.26 -1.91 120.51 116.45 1a81 n ALA 77 Ca 0.16 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1a81 n ALA 77 Cb 0.29 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1a81 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a81 n GLY 78 N 1.85 0.94 3.49 0.00 0.00 -1.26 -5.05 105.19 105.17 1a81 n GLY 78 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1a81 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a81 s GLY 79 N -1.79 2.43 0.68 -0.02 0.00 -0.81 -5.12 107.32 102.70 1a81 s GLY 79 Ca 0.00 -1.46 -0.17 0.00 0.00 0.00 0.00 44.72 43.09 1a81 s GLY 79 CO 0.00 -1.83 0.20 -2.13 0.00 0.00 0.00 173.10 169.34 1a81 n ARG 80 N -0.84 0.21 -4.21 2.90 0.63 -1.26 -4.73 116.66 109.36 1a81 n ARG 80 Ca -0.05 0.09 -0.35 0.00 -0.92 0.00 0.00 57.85 56.63 1a81 n ARG 80 Cb 0.65 -1.49 -0.10 0.00 0.45 0.00 0.00 32.46 31.97 1a81 n ARG 80 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1a81 s THR 81 N -1.92 4.49 0.27 5.15 -4.23 -1.26 -4.49 115.64 113.65 1a81 s THR 81 Ca 0.61 -0.16 0.10 0.00 -1.18 0.00 0.00 61.69 61.05 1a81 s THR 81 Cb -0.38 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1a81 s THR 81 CO 0.63 0.53 -0.01 -1.00 -0.54 0.00 0.00 174.62 174.23 1a81 s HIS 82 N -0.21 2.67 0.05 3.99 0.09 0.60 -4.95 115.29 117.53 1a81 s HIS 82 Ca 0.06 -0.25 -0.28 0.00 -0.00 0.00 0.00 55.06 54.60 1a81 s HIS 82 Cb -0.12 -1.22 -0.17 0.00 -0.00 0.00 0.00 32.58 31.07 1a81 s HIS 82 CO 0.02 0.61 1.51 0.00 -0.00 0.00 0.00 174.74 176.87 1a81 h ALA 83 N 1.89 -0.54 -2.49 -1.40 0.00 -1.96 -2.08 119.26 112.69 1a81 h ALA 83 Ca -0.44 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 1a81 h ALA 83 Cb 1.25 0.21 -0.17 0.00 0.00 0.00 0.00 17.79 19.08 1a81 h ALA 83 CO 0.61 -0.74 -0.70 -1.54 0.00 0.00 0.00 179.25 176.88 1a81 s SER 84 N -4.81 0.69 0.38 0.00 1.04 -1.26 -4.34 113.70 105.41 1a81 s SER 84 Ca -0.15 -0.86 0.16 0.00 0.48 0.00 0.00 55.95 55.58 1a81 s SER 84 Cb 0.03 0.13 1.04 0.00 0.10 0.00 0.00 66.02 67.33 1a81 s SER 84 CO 0.60 -0.46 1.78 1.55 0.98 0.00 0.00 173.24 177.69 1a81 h PRO 85 N 3.53 0.44 -0.75 4.02 0.13 -1.94 -0.52 132.00 136.90 1a81 h PRO 85 Ca -0.34 -0.03 0.10 0.00 -0.87 0.00 0.00 66.00 64.86 1a81 h PRO 85 Cb 1.17 -0.10 -0.07 0.00 0.13 0.00 0.00 31.00 32.13 1a81 h PRO 85 CO 0.58 0.29 0.39 0.00 -0.23 0.00 0.00 178.00 179.03 1a81 h ALA 86 N 1.63 1.05 0.47 -0.56 0.00 -1.98 -2.72 119.26 117.15 1a81 h ALA 86 Ca 0.58 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 1a81 h ALA 86 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1a81 h ALA 86 CO -0.31 -0.01 -0.22 -0.44 0.00 0.00 0.00 179.25 178.27 1a81 h ASP 87 N 0.65 -0.53 -0.68 0.00 3.32 -1.51 -2.46 116.42 115.22 1a81 h ASP 87 Ca 0.37 -0.09 0.12 0.00 0.02 0.00 0.00 57.03 57.45 1a81 h ASP 87 Cb 0.39 0.14 -0.12 0.00 0.22 0.00 0.00 39.33 39.96 1a81 h ASP 87 CO -0.27 -0.15 -0.22 -0.11 -1.72 0.00 0.00 179.24 176.77 1a81 n LEU 88 N -5.23 -0.35 0.12 1.55 7.94 -1.08 0.67 117.00 120.61 1a81 n LEU 88 Ca -0.10 1.17 -0.13 0.00 -1.11 0.00 0.00 56.01 55.84 1a81 n LEU 88 Cb 0.30 -0.31 -0.08 0.00 0.53 0.00 0.00 43.42 43.86 1a81 n LEU 88 CO 0.28 -1.08 0.66 0.00 -1.11 0.00 0.00 177.39 176.14 1a81 h HIS 90 N -0.53 0.62 0.04 0.00 3.86 0.73 0.16 115.15 120.03 1a81 h HIS 90 Ca -0.03 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.01 1a81 h HIS 90 Cb 0.39 -0.18 0.02 0.00 1.06 0.00 0.00 27.41 28.70 1a81 h HIS 90 CO 0.00 0.02 -0.79 -0.92 0.86 0.00 0.00 177.93 177.11 1a81 h TYR 91 N 0.34 0.71 0.00 2.45 5.03 0.07 -3.26 116.97 122.32 1a81 h TYR 91 Ca 0.62 -0.42 0.00 0.00 2.58 0.00 0.00 58.73 61.51 1a81 h TYR 91 Cb 1.65 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.87 1a81 h TYR 91 CO -0.00 1.26 0.00 0.72 -1.32 0.00 0.00 178.16 178.81 1a81 n HIS 92 N -4.10 0.00 0.29 -3.82 8.25 0.20 -1.84 115.22 114.20 1a81 n HIS 92 Ca -0.12 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.47 1a81 n HIS 92 Cb 0.77 -0.33 0.28 0.00 1.12 0.00 0.00 29.99 31.83 1a81 n HIS 92 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1a81 h SER 93 N 0.00 0.00 0.00 0.41 0.87 -0.81 -3.08 113.55 110.94 1a81 h SER 93 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1a81 h SER 93 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1a81 h SER 93 CO 0.00 0.00 -0.53 0.00 -0.53 0.00 0.00 176.83 175.77 1a81 n GLN 94 N -2.95 3.82 -4.16 2.24 1.13 -1.06 -4.33 117.38 112.08 1a81 n GLN 94 Ca 0.04 -0.01 -0.24 0.00 -1.94 0.00 0.00 57.00 54.84 1a81 n GLN 94 Cb 0.48 -0.84 -0.17 0.00 0.11 0.00 0.00 30.24 29.83 1a81 n GLN 94 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1a81 s GLU 95 N -1.70 1.36 0.01 -1.09 2.12 -0.77 -5.04 118.70 113.58 1a81 s GLU 95 Ca 0.01 -0.24 -0.06 0.00 0.36 0.00 0.00 54.97 55.04 1a81 s GLU 95 Cb 0.03 -1.32 -0.03 0.00 0.26 0.00 0.00 34.13 33.07 1a81 s GLU 95 CO 0.19 -0.14 0.89 1.03 -0.54 0.00 0.00 175.26 176.68 1a81 h SER 96 N 7.61 -0.17 -5.84 -1.70 0.87 -1.82 -3.38 113.55 109.12 1a81 h SER 96 Ca -0.31 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.09 1a81 h SER 96 Cb 1.15 0.04 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1a81 h SER 96 CO 0.43 -0.11 -0.73 -0.67 -0.53 0.00 0.00 176.83 175.22 1a81 n ASP 97 N -2.65 -6.87 0.00 6.23 -0.08 -1.26 -2.12 116.55 109.79 1a81 n ASP 97 Ca -0.03 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1a81 n ASP 97 Cb 0.08 -3.83 0.00 0.00 2.34 0.00 0.00 41.12 39.71 1a81 n ASP 97 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1a81 n GLY 98 N -0.53 1.09 3.67 0.27 0.00 -1.26 -4.89 105.19 103.54 1a81 n GLY 98 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1a81 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a81 n LEU 99 N 0.00 3.82 0.13 0.99 4.77 -0.90 -4.77 117.00 121.05 1a81 n LEU 99 Ca 0.00 0.94 0.09 0.00 -0.03 0.00 0.00 56.01 57.01 1a81 n LEU 99 Cb 0.00 -1.45 0.13 0.00 -2.33 0.00 0.00 43.42 39.77 1a81 n LEU 99 CO 0.00 0.08 1.00 1.33 -1.33 0.00 0.00 177.39 178.47 1a81 n VAL 100 N 5.34 0.00 -3.86 4.08 0.24 -1.26 -4.63 118.33 118.24 1a81 n VAL 100 Ca 0.21 1.00 -0.02 0.00 -2.04 0.00 0.00 64.34 63.50 1a81 n VAL 100 Cb 0.35 -1.93 0.02 0.00 -1.47 0.00 0.00 33.84 30.81 1a81 n VAL 100 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a81 s LEU 102 N 0.00 4.40 -1.22 0.00 2.01 -1.26 -4.64 118.68 117.96 1a81 s LEU 102 Ca 0.20 1.76 -0.12 0.00 0.01 0.00 0.00 54.13 55.98 1a81 s LEU 102 Cb -0.02 -3.84 0.18 0.00 0.01 0.00 0.00 46.19 42.52 1a81 s LEU 102 CO 0.04 -0.00 1.52 0.18 1.01 0.00 0.00 176.35 179.10 1a81 n LEU 103 N 0.77 5.60 0.00 1.79 7.99 -1.17 -4.30 117.00 127.69 1a81 n LEU 103 Ca 0.00 -4.55 0.00 0.00 -0.01 0.00 0.00 56.01 51.45 1a81 n LEU 103 Cb 0.50 -1.57 0.00 0.00 -0.11 0.00 0.00 43.42 42.24 1a81 n LEU 103 CO 0.45 0.94 0.17 0.29 -1.51 0.00 0.00 177.39 177.72 1a81 n LYS 104 N 4.96 0.00 -3.95 3.23 5.02 -1.02 -4.56 118.16 121.84 1a81 n LYS 104 Ca 0.37 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.31 1a81 n LYS 104 Cb 0.41 -0.83 -0.09 0.00 -0.02 0.00 0.00 35.03 34.50 1a81 n LYS 104 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1a81 s LYS 105 N -0.66 3.86 0.60 1.97 2.20 -0.51 -5.00 119.74 122.20 1a81 s LYS 105 Ca 0.00 -0.28 -0.06 0.00 -0.36 0.00 0.00 55.97 55.27 1a81 s LYS 105 Cb 0.00 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1a81 s LYS 105 CO 0.00 0.40 0.91 -1.25 -0.36 0.00 0.00 175.35 175.05 1a81 s PRO 106 N 0.03 2.86 -0.27 4.03 0.04 -1.26 -1.74 135.00 138.69 1a81 s PRO 106 Ca 0.07 -0.02 -0.03 0.00 0.04 0.00 0.00 61.00 61.05 1a81 s PRO 106 Cb -0.12 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.18 1a81 s PRO 106 CO 0.00 -0.74 -0.00 0.12 0.04 0.00 0.00 177.00 176.42 1a81 s PHE 107 N -3.01 3.12 0.45 0.56 2.19 0.27 -4.69 117.98 116.87 1a81 s PHE 107 Ca 0.54 -1.42 -0.18 0.00 0.33 0.00 0.00 56.93 56.20 1a81 s PHE 107 Cb -0.11 -2.13 -0.09 0.00 -1.31 0.00 0.00 43.02 39.38 1a81 s PHE 107 CO 0.45 -0.69 0.93 -0.80 1.83 0.00 0.00 175.22 176.94 1a81 s ASN 108 N 1.37 6.79 -0.54 6.13 -0.87 -1.26 -4.24 114.94 122.32 1a81 s ASN 108 Ca 0.00 1.57 -0.30 0.00 -1.57 0.00 0.00 52.86 52.56 1a81 s ASN 108 Cb -0.17 -2.50 -0.12 0.00 -0.02 0.00 0.00 41.25 38.44 1a81 s ASN 108 CO -0.02 -0.42 2.40 -1.14 -2.57 0.00 0.00 177.10 175.35 1a81 n ARG 109 N -0.97 0.88 -1.21 -0.60 3.00 0.45 -4.85 116.66 113.36 1a81 n ARG 109 Ca 0.06 0.12 -0.39 0.00 -0.00 0.00 0.00 57.85 57.64 1a81 n ARG 109 Cb 0.54 -2.70 -0.00 0.00 0.00 0.00 0.00 32.46 30.30 1a81 n ARG 109 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1a81 n PRO 110 N 8.64 0.00 -1.70 -0.14 -0.02 -1.26 -4.63 135.00 135.88 1a81 n PRO 110 Ca 0.44 0.00 -0.62 0.00 -2.02 0.00 0.00 63.50 61.30 1a81 n PRO 110 Cb 0.33 -0.94 -0.09 0.00 -0.02 0.00 0.00 33.50 32.79 1a81 n PRO 110 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1a81 n GLN 111 N 1.26 0.59 0.00 -0.52 1.13 -1.26 -1.50 117.38 117.08 1a81 n GLN 111 Ca 0.10 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 1a81 n GLN 111 Cb 0.38 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.90 1a81 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a81 n GLY 112 N 4.35 2.54 3.34 1.08 0.00 -1.26 -5.03 105.19 110.20 1a81 n GLY 112 Ca 0.30 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1a81 n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a81 n VAL 113 N 0.00 0.89 -4.58 1.61 0.31 -0.57 -5.03 118.33 110.97 1a81 n VAL 113 Ca 0.00 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.56 1a81 n VAL 113 Cb 0.00 -0.20 -0.09 0.00 -0.91 0.00 0.00 33.84 32.63 1a81 n VAL 113 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1a81 s GLN 114 N -1.28 1.91 0.18 5.55 -1.52 -1.26 -4.83 119.66 118.43 1a81 s GLN 114 Ca 0.61 -2.13 -0.29 0.00 -1.95 0.00 0.00 55.36 51.59 1a81 s GLN 114 Cb -0.55 -1.15 -0.08 0.00 -0.22 0.00 0.00 33.01 31.00 1a81 s GLN 114 CO 0.62 -0.26 0.92 -1.25 -0.25 0.00 0.00 175.29 175.07 1a81 s PRO 115 N -3.81 4.76 0.61 2.91 0.05 -1.26 -4.64 135.00 133.62 1a81 s PRO 115 Ca 0.26 1.42 -0.16 0.00 0.05 0.00 0.00 61.00 62.57 1a81 s PRO 115 Cb 0.06 -3.31 -0.03 0.00 0.05 0.00 0.00 34.50 31.27 1a81 s PRO 115 CO 0.13 0.42 1.09 0.15 0.05 0.00 0.00 177.00 178.84 1a81 s LYS 116 N -0.77 3.13 -0.07 4.56 1.02 -1.26 -4.47 119.74 121.88 1a81 s LYS 116 Ca 0.42 1.36 -0.00 0.00 0.02 0.00 0.00 55.97 57.77 1a81 s LYS 116 Cb -0.25 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1a81 s LYS 116 CO 0.30 -0.98 -0.02 0.99 -0.92 0.00 0.00 175.35 174.72 1a81 s THR 117 N -2.26 4.07 -0.03 2.17 2.01 -1.26 0.42 115.64 120.77 1a81 s THR 117 Ca 0.67 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 1a81 s THR 117 Cb -0.19 -2.71 -0.31 0.00 0.01 0.00 0.00 72.50 69.30 1a81 s THR 117 CO 0.36 0.58 0.75 -0.65 -0.69 0.00 0.00 174.62 174.97 1a81 h PRO 152 N 5.10 0.39 0.00 4.92 0.11 -2.01 -3.47 132.00 137.04 1a81 h PRO 152 Ca -0.50 -0.67 -0.18 0.00 0.11 0.00 0.00 66.00 64.76 1a81 h PRO 152 Cb 1.18 0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.51 1a81 h PRO 152 CO 0.54 1.30 -1.66 0.94 -0.21 0.00 0.00 178.00 178.91 1a81 n GLN 153 N -3.59 0.28 -0.32 1.05 0.00 -1.26 -4.67 117.38 108.88 1a81 n GLN 153 Ca -0.22 0.08 -0.05 0.00 -0.00 0.00 0.00 57.00 56.81 1a81 n GLN 153 Cb 1.08 -1.16 -0.02 0.00 0.00 0.00 0.00 30.24 30.14 1a81 n GLN 153 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1a81 n LEU 154 N -3.00 -0.67 -0.24 1.69 7.99 -1.26 0.99 117.00 122.51 1a81 n LEU 154 Ca -0.21 1.39 -0.06 0.00 -0.01 0.00 0.00 56.01 57.11 1a81 n LEU 154 Cb 0.70 -0.25 -0.06 0.00 -0.11 0.00 0.00 43.42 43.71 1a81 n LEU 154 CO 0.09 -1.19 0.41 -0.62 -1.51 0.00 0.00 177.39 174.58 1a81 n GLU 155 N -5.07 -0.25 0.32 3.23 1.02 -1.26 0.17 120.64 118.80 1a81 n GLU 155 Ca 0.05 1.14 0.14 0.00 -0.02 0.00 0.00 57.16 58.47 1a81 n GLU 155 Cb 0.26 -1.68 0.75 0.00 -0.02 0.00 0.00 31.44 30.75 1a81 n GLU 155 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1a81 h LYS 156 N 0.00 0.00 0.00 3.49 1.63 0.37 -2.14 116.57 119.92 1a81 h LYS 156 Ca 0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1a81 h LYS 156 Cb 0.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1a81 h LYS 156 CO -0.53 0.00 0.00 -0.11 -3.45 0.00 0.00 179.45 175.36 1a81 n LEU 157 N -2.80 0.60 -0.44 5.20 7.94 0.45 -3.66 117.00 124.27 1a81 n LEU 157 Ca -0.02 0.25 0.39 0.00 -1.11 0.00 0.00 56.01 55.52 1a81 n LEU 157 Cb 0.40 -0.36 0.72 0.00 0.53 0.00 0.00 43.42 44.71 1a81 n LEU 157 CO 0.12 -0.36 1.34 0.40 -1.11 0.00 0.00 177.39 177.78 1a81 h ILE 158 N 0.00 0.27 0.28 1.96 5.03 -1.27 -2.06 117.51 121.73 1a81 h ILE 158 Ca 0.00 -0.02 -0.01 0.00 -0.12 0.00 0.00 64.86 64.70 1a81 h ILE 158 Cb 0.00 0.20 0.00 0.00 -3.03 0.00 0.00 36.82 33.99 1a81 h ILE 158 CO 0.00 0.01 -0.14 0.00 -0.68 0.00 0.00 178.15 177.35 1a81 h ALA 159 N 1.36 -0.75 -1.43 1.87 0.00 -1.56 -1.80 119.26 116.95 1a81 h ALA 159 Ca 0.71 -0.08 0.41 0.00 0.00 0.00 0.00 54.91 55.95 1a81 h ALA 159 Cb 2.61 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 20.49 1a81 h ALA 159 CO -0.11 -0.72 1.03 1.79 0.00 0.00 0.00 179.25 181.23 1a81 h THR 160 N -0.53 0.28 -2.71 0.00 1.35 -1.46 -2.77 112.91 107.08 1a81 h THR 160 Ca -0.04 -0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 65.21 1a81 h THR 160 Cb 0.29 0.28 -0.40 0.00 -1.73 0.00 0.00 68.15 66.58 1a81 h THR 160 CO 0.06 0.00 -0.75 0.35 -0.25 0.00 0.00 175.52 174.93 1a81 n THR 161 N -4.12 0.47 0.00 6.82 -2.24 -0.99 -4.71 114.28 109.51 1a81 n THR 161 Ca 0.31 -4.29 0.00 0.00 -2.27 0.00 0.00 64.05 57.80 1a81 n THR 161 Cb 1.48 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1a81 n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a81 n ALA 162 N 2.21 1.52 -0.07 6.98 0.00 -0.68 -4.60 120.51 125.87 1a81 n ALA 162 Ca 0.24 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.85 1a81 n ALA 162 Cb 0.41 0.13 0.58 0.00 0.00 0.00 0.00 19.45 20.57 1a81 n ALA 162 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1a81 h HIS 163 N 0.00 0.28 -1.11 0.00 2.07 -1.85 -0.03 115.15 114.51 1a81 h HIS 163 Ca 0.00 0.01 0.35 0.00 -2.85 0.00 0.00 60.37 57.87 1a81 h HIS 163 Cb 0.46 -0.09 -0.13 0.00 2.57 0.00 0.00 27.41 30.22 1a81 h HIS 163 CO 0.00 0.11 0.68 0.93 -3.07 0.00 0.00 177.93 176.58 1a81 h GLU 164 N 0.24 0.25 -0.13 5.12 4.39 -1.92 0.58 114.58 123.12 1a81 h GLU 164 Ca 0.30 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1a81 h GLU 164 Cb 0.83 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1a81 h GLU 164 CO -0.06 0.17 0.00 1.17 -1.16 0.00 0.00 179.01 179.13 1a81 n LYS 165 N -4.84 2.27 -3.13 2.33 4.81 -0.03 -4.89 118.16 114.67 1a81 n LYS 165 Ca 0.32 -1.98 -0.39 0.00 -0.87 0.00 0.00 58.31 55.39 1a81 n LYS 165 Cb 1.10 -1.46 -0.05 0.00 0.02 0.00 0.00 35.03 34.64 1a81 n LYS 165 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1a81 s MET 166 N -1.79 4.40 0.34 1.64 -1.94 0.20 -4.97 119.30 117.18 1a81 s MET 166 Ca 0.30 0.78 0.10 0.00 -1.71 0.00 0.00 55.69 55.16 1a81 s MET 166 Cb 0.20 -3.42 1.03 0.00 2.01 0.00 0.00 34.83 34.65 1a81 s MET 166 CO 0.29 0.16 1.57 -1.35 -0.01 0.00 0.00 175.02 175.69 1a81 h PRO 167 N 6.43 0.00 0.00 2.03 0.11 -1.94 1.35 132.00 139.98 1a81 h PRO 167 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1a81 h PRO 167 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1a81 h PRO 167 CO 0.74 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.86 1a81 n TRP 168 N -5.39 0.00 -3.92 0.65 4.27 -1.26 -4.57 117.44 107.22 1a81 n TRP 168 Ca 0.30 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.55 1a81 n TRP 168 Cb 1.00 -0.28 -0.13 0.00 -1.36 0.00 0.00 31.31 30.54 1a81 n TRP 168 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1a81 s PHE 169 N -2.56 3.05 -0.81 -2.67 5.36 0.46 0.11 117.98 120.92 1a81 s PHE 169 Ca 0.22 -0.51 0.02 0.00 -0.96 0.00 0.00 56.93 55.70 1a81 s PHE 169 Cb 0.15 -2.15 0.28 0.00 -0.34 0.00 0.00 43.02 40.96 1a81 s PHE 169 CO 0.35 -0.33 1.04 0.72 -1.46 0.00 0.00 175.22 175.54 1a81 n HIS 170 N 4.59 3.13 0.00 10.12 8.25 0.18 -4.75 115.22 136.74 1a81 n HIS 170 Ca -0.17 -3.54 0.00 0.00 -0.26 0.00 0.00 57.72 53.75 1a81 n HIS 170 Cb 0.51 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.80 1a81 n HIS 170 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a81 n GLY 171 N 0.97 0.39 3.73 -1.41 0.00 -1.26 -4.29 105.19 103.32 1a81 n GLY 171 Ca 0.29 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1a81 n GLY 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a81 s LYS 172 N 0.00 4.19 -0.10 1.61 2.47 -1.26 -2.20 119.74 124.44 1a81 s LYS 172 Ca 0.00 -0.14 -0.30 0.00 -1.56 0.00 0.00 55.97 53.97 1a81 s LYS 172 Cb 0.00 -3.42 0.08 0.00 -1.46 0.00 0.00 37.83 33.03 1a81 s LYS 172 CO 0.00 0.30 0.72 0.42 0.16 0.00 0.00 175.35 176.94 1a81 s ILE 173 N 0.35 0.00 0.97 5.43 1.01 -1.25 -4.98 121.20 122.72 1a81 s ILE 173 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 1a81 s ILE 173 Cb -0.12 -1.00 0.08 0.00 0.01 0.00 0.00 42.46 41.44 1a81 s ILE 173 CO -0.00 0.00 0.60 -1.54 0.00 0.00 0.00 174.94 174.00 1a81 n SER 174 N 1.21 -1.44 0.11 3.58 3.41 -1.26 -4.84 113.62 114.39 1a81 n SER 174 Ca -0.17 0.30 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 1a81 n SER 174 Cb 0.57 -1.26 0.46 0.00 -0.26 0.00 0.00 64.21 63.71 1a81 n SER 174 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1a81 n ARG 175 N -2.57 0.16 -0.11 4.33 0.63 -1.26 -3.39 116.66 114.46 1a81 n ARG 175 Ca 0.07 0.39 -0.19 0.00 -0.92 0.00 0.00 57.85 57.20 1a81 n ARG 175 Cb 0.54 -1.81 -0.08 0.00 0.45 0.00 0.00 32.46 31.56 1a81 n ARG 175 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1a81 n GLU 176 N -2.11 0.54 -0.11 -0.14 4.71 -1.26 -3.40 120.64 118.87 1a81 n GLU 176 Ca 0.02 0.42 0.24 0.00 -0.01 0.00 0.00 57.16 57.84 1a81 n GLU 176 Cb 0.22 -1.62 0.45 0.00 -1.01 0.00 0.00 31.44 29.49 1a81 n GLU 176 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1a81 h GLU 177 N -1.00 0.00 0.02 3.49 5.08 -1.91 0.46 114.58 120.72 1a81 h GLU 177 Ca -0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1a81 h GLU 177 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1a81 h GLU 177 CO -0.20 0.00 -0.01 0.66 -1.00 0.00 0.00 179.01 178.46 1a81 h SER 178 N 0.00 -0.02 -0.19 1.42 4.64 -1.70 -2.62 113.55 115.07 1a81 h SER 178 Ca 0.40 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.74 1a81 h SER 178 Cb 2.54 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 64.62 1a81 h SER 178 CO -0.00 0.27 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.49 1a81 n GLU 179 N -3.68 -0.09 0.00 4.77 -0.58 0.15 0.91 120.64 122.13 1a81 n GLU 179 Ca -0.00 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1a81 n GLU 179 Cb 0.01 -0.91 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 1a81 n GLU 179 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1a81 n GLN 180 N -3.32 0.00 -0.11 3.49 6.02 -0.51 -0.12 117.38 122.84 1a81 n GLN 180 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1a81 n GLN 180 Cb 0.05 -0.20 0.14 0.00 1.02 0.00 0.00 30.24 31.25 1a81 n GLN 180 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1a81 n ILE 181 N 0.00 -0.03 0.13 5.09 0.00 -0.57 0.27 119.36 124.25 1a81 n ILE 181 Ca 0.00 0.32 -0.24 0.00 0.00 0.00 0.00 62.75 62.83 1a81 n ILE 181 Cb 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 39.64 38.96 1a81 n ILE 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1a81 h VAL 182 N 0.00 1.25 0.00 9.51 3.04 0.17 -3.33 116.25 126.90 1a81 h VAL 182 Ca 0.17 -2.71 0.00 0.00 -1.01 0.00 0.00 66.70 63.15 1a81 h VAL 182 Cb 0.61 3.00 0.00 0.00 -2.01 0.00 0.00 31.29 32.88 1a81 h VAL 182 CO -0.06 0.82 0.00 -0.07 -1.01 0.00 0.00 177.57 177.26 1a81 h LEU 183 N 0.14 0.00-10.28 3.16 -0.00 0.72 -3.45 115.31 105.60 1a81 h LEU 183 Ca -0.26 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.11 1a81 h LEU 183 Cb 2.15 0.00 0.09 0.00 -0.00 0.00 0.00 40.66 42.90 1a81 h LEU 183 CO 0.26 0.00 0.36 -0.63 -0.00 0.00 0.00 178.44 178.43 1a81 s ILE 184 N -3.26 3.75 0.00 1.22 -1.09 -0.97 -4.84 121.20 116.02 1a81 s ILE 184 Ca 0.07 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 1a81 s ILE 184 Cb 0.10 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1a81 s ILE 184 CO 0.55 -0.65 0.00 0.61 -1.23 0.00 0.00 174.94 174.22 1a81 n GLY 185 N -1.41 -0.19 3.68 6.18 0.00 -1.26 -4.76 105.19 107.43 1a81 n GLY 185 Ca 0.08 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1a81 n GLY 185 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a81 n SER 186 N -2.00 4.03 -0.58 1.61 2.88 -1.26 -4.89 113.62 113.41 1a81 n SER 186 Ca 0.00 0.96 0.01 0.00 -1.33 0.00 0.00 58.87 58.51 1a81 n SER 186 Cb 0.00 -1.52 0.04 0.00 -0.75 0.00 0.00 64.21 61.98 1a81 n SER 186 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1a81 n LYS 187 N 6.30 1.39 -1.54 -1.46 -0.00 -1.26 -4.93 118.16 116.66 1a81 n LYS 187 Ca 0.19 -0.34 -0.54 0.00 -0.00 0.00 0.00 58.31 57.63 1a81 n LYS 187 Cb 0.38 -1.51 -0.06 0.00 -0.00 0.00 0.00 35.03 33.84 1a81 n LYS 187 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1a81 n THR 188 N 0.02 0.33 -1.95 0.58 5.66 -1.26 -4.81 114.28 112.85 1a81 n THR 188 Ca 0.03 -0.08 -0.35 0.00 -3.05 0.00 0.00 64.05 60.60 1a81 n THR 188 Cb 0.31 -0.48 0.03 0.00 -1.55 0.00 0.00 70.33 68.65 1a81 n THR 188 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1a81 s ASN 189 N 0.10 5.22 0.00 1.09 0.01 -1.26 -3.25 114.94 116.85 1a81 s ASN 189 Ca 0.83 2.21 0.00 0.00 -0.71 0.00 0.00 52.86 55.19 1a81 s ASN 189 Cb -1.04 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.04 1a81 s ASN 189 CO 0.52 -1.57 0.00 0.61 -1.51 0.00 0.00 177.10 175.16 1a81 n GLY 190 N 0.11 0.86 3.77 0.66 0.00 0.16 -4.80 105.19 105.96 1a81 n GLY 190 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1a81 n GLY 190 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a81 s LYS 191 N -0.19 4.28 0.31 1.61 2.20 -1.20 -0.92 119.74 125.82 1a81 s LYS 191 Ca 0.00 2.32 -0.02 0.00 -0.36 0.00 0.00 55.97 57.91 1a81 s LYS 191 Cb 0.00 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 1a81 s LYS 191 CO 0.00 -0.30 0.39 -0.59 -0.36 0.00 0.00 175.35 174.49 1a81 s PHE 192 N -1.04 1.12 -0.22 4.03 -0.71 0.12 0.11 117.98 121.38 1a81 s PHE 192 Ca 0.51 -1.31 -0.33 0.00 -1.04 0.00 0.00 56.93 54.76 1a81 s PHE 192 Cb -0.42 -0.23 0.15 0.00 -1.21 0.00 0.00 43.02 41.31 1a81 s PHE 192 CO 0.55 -1.00 1.24 -0.48 -1.34 0.00 0.00 175.22 174.19 1a81 s LEU 193 N -3.22 -0.13 -0.04 -1.99 2.34 0.05 0.16 118.68 115.84 1a81 s LEU 193 Ca 0.33 0.05 0.05 0.00 0.06 0.00 0.00 54.13 54.62 1a81 s LEU 193 Cb 0.01 1.33 -0.01 0.00 -0.56 0.00 0.00 46.19 46.96 1a81 s LEU 193 CO 0.19 -0.18 -0.20 0.27 -1.06 0.00 0.00 176.35 175.38 1a81 s ILE 194 N -1.89 1.64 0.06 1.48 -4.36 0.30 -1.32 121.20 117.11 1a81 s ILE 194 Ca 0.08 -0.84 0.07 0.00 -0.26 0.00 0.00 60.65 59.70 1a81 s ILE 194 Cb -0.01 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.28 1a81 s ILE 194 CO -0.05 0.47 -0.19 0.00 0.24 0.00 0.00 174.94 175.41 1a81 s ARG 195 N -0.08 1.23 0.04 0.37 1.70 -1.12 0.47 118.95 121.56 1a81 s ARG 195 Ca -0.02 -0.96 -0.18 0.00 -0.47 0.00 0.00 55.73 54.10 1a81 s ARG 195 Cb -0.12 -1.36 -0.06 0.00 -0.57 0.00 0.00 34.95 32.84 1a81 s ARG 195 CO 0.02 0.34 0.53 0.00 -1.08 0.00 0.00 175.30 175.11 1a81 s ALA 196 N -0.90 3.60 0.00 7.88 0.00 -0.94 -0.48 121.76 130.92 1a81 s ALA 196 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1a81 s ALA 196 Cb -0.09 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1a81 s ALA 196 CO 0.02 0.38 0.00 0.54 0.00 0.00 0.00 175.76 176.71 1a81 n ARG 197 N 1.91 0.00 0.00 0.00 3.00 0.66 -3.96 116.66 118.27 1a81 n ARG 197 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.73 1a81 n ARG 197 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1a81 n ARG 197 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1a81 n ASP 198 N 0.00 3.03 -4.56 0.55 9.92 -1.26 -4.79 116.55 119.45 1a81 n ASP 198 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 1a81 n ASP 198 Cb 0.00 0.37 -0.05 0.00 -0.64 0.00 0.00 41.12 40.80 1a81 n ASP 198 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1a81 s ASN 199 N -1.99 5.24 0.56 -2.24 0.02 -1.26 -4.74 114.94 110.52 1a81 s ASN 199 Ca 0.00 -0.56 0.17 0.00 -1.02 0.00 0.00 52.86 51.46 1a81 s ASN 199 Cb 0.00 -2.56 0.60 0.00 0.02 0.00 0.00 41.25 39.31 1a81 s ASN 199 CO 0.00 -2.62 1.09 0.59 0.02 0.00 0.00 177.10 176.18 1a81 n ASN 200 N 13.49 0.00 -1.21 -1.22 4.13 -1.26 0.40 115.26 129.60 1a81 n ASN 200 Ca 0.36 0.62 0.10 0.00 1.68 0.00 0.00 54.58 57.34 1a81 n ASN 200 Cb 0.48 -0.17 0.28 0.00 -1.54 0.00 0.00 39.78 38.83 1a81 n ASN 200 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a81 n GLY 201 N -1.56 2.01 2.99 7.41 0.00 -1.26 -4.81 105.19 109.97 1a81 n GLY 201 Ca 0.15 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1a81 n GLY 201 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a81 s SER 202 N -0.97 3.81 0.49 1.61 0.15 1.32 -3.27 113.70 116.85 1a81 s SER 202 Ca 0.42 -1.11 0.04 0.00 0.70 0.00 0.00 55.95 56.00 1a81 s SER 202 Cb 0.23 -1.29 0.04 0.00 -1.71 0.00 0.00 66.02 63.29 1a81 s SER 202 CO 0.27 -0.19 0.34 -1.22 1.20 0.00 0.00 173.24 173.64 1a81 n TYR 203 N 4.62 -0.54 -3.90 3.44 4.02 -1.23 -0.24 117.16 123.32 1a81 n TYR 203 Ca -0.14 -2.09 -0.10 0.00 -0.01 0.00 0.00 57.90 55.57 1a81 n TYR 203 Cb 0.45 -0.39 -0.09 0.00 -0.02 0.00 0.00 39.34 39.28 1a81 n TYR 203 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a81 s ALA 204 N -2.71 -0.16 -0.18 -0.72 0.00 0.36 -2.09 121.76 116.26 1a81 s ALA 204 Ca 0.26 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 1a81 s ALA 204 Cb -0.02 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1a81 s ALA 204 CO 0.16 -0.33 -0.04 -1.17 0.00 0.00 0.00 175.76 174.39 1a81 s LEU 205 N -2.10 3.11 -0.09 0.00 1.98 0.33 -2.80 118.68 119.11 1a81 s LEU 205 Ca -0.05 -0.24 0.02 0.00 -2.89 0.00 0.00 54.13 50.97 1a81 s LEU 205 Cb -0.01 -1.77 0.01 0.00 0.66 0.00 0.00 46.19 45.08 1a81 s LEU 205 CO -0.04 0.09 -0.15 0.00 -1.89 0.00 0.00 176.35 174.36 1a81 s LEU 207 N 0.83 1.77 -0.19 0.00 2.34 -0.42 -0.77 118.68 122.22 1a81 s LEU 207 Ca -0.10 -0.78 -0.13 0.00 0.06 0.00 0.00 54.13 53.17 1a81 s LEU 207 Cb -0.15 0.75 -0.05 0.00 -0.56 0.00 0.00 46.19 46.18 1a81 s LEU 207 CO 0.01 -0.69 0.28 -0.22 -1.06 0.00 0.00 176.35 174.67 1a81 s LEU 208 N -2.89 4.19 -0.22 1.48 2.96 0.12 0.26 118.68 124.57 1a81 s LEU 208 Ca 0.06 0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 54.33 1a81 s LEU 208 Cb 0.06 -2.33 0.08 0.00 0.50 0.00 0.00 46.19 44.50 1a81 s LEU 208 CO -0.10 0.05 0.10 -2.28 -1.32 0.00 0.00 176.35 172.80 1a81 s HIS 209 N 0.83 0.42 -1.19 5.38 5.65 0.20 0.39 115.29 126.96 1a81 s HIS 209 Ca 0.14 -0.66 -0.04 0.00 0.25 0.00 0.00 55.06 54.76 1a81 s HIS 209 Cb -0.13 -0.86 -0.02 0.00 -1.18 0.00 0.00 32.58 30.39 1a81 s HIS 209 CO 0.04 -0.66 0.86 0.39 -0.65 0.00 0.00 174.74 174.73 1a81 n GLU 210 N 5.22 -4.45 -0.19 2.88 -0.58 -1.26 -1.27 120.64 120.98 1a81 n GLU 210 Ca -0.07 0.74 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1a81 n GLU 210 Cb 0.46 -5.47 0.00 0.00 -0.57 0.00 0.00 31.44 25.86 1a81 n GLU 210 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a81 n GLY 211 N -1.35 1.43 3.71 0.62 0.00 -1.26 -4.96 105.19 103.38 1a81 n GLY 211 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1a81 n GLY 211 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a81 s LYS 212 N -0.11 2.97 -0.06 1.61 2.20 -0.40 -5.09 119.74 120.86 1a81 s LYS 212 Ca 0.00 -0.47 -0.19 0.00 -0.36 0.00 0.00 55.97 54.95 1a81 s LYS 212 Cb 0.00 -2.79 -0.05 0.00 -1.51 0.00 0.00 37.83 33.48 1a81 s LYS 212 CO 0.00 0.67 0.52 0.54 -0.36 0.00 0.00 175.35 176.73 1a81 s VAL 213 N -1.02 5.07 -0.06 4.02 0.11 -1.26 0.63 120.40 127.89 1a81 s VAL 213 Ca 0.17 1.07 0.06 0.00 -2.93 0.00 0.00 61.98 60.35 1a81 s VAL 213 Cb -0.12 -3.86 -0.01 0.00 -1.53 0.00 0.00 36.38 30.87 1a81 s VAL 213 CO 0.07 0.38 -0.24 -0.76 -3.33 0.00 0.00 175.10 171.22 1a81 s LEU 214 N 0.17 2.14 -0.22 2.54 1.43 0.14 -4.96 118.68 119.92 1a81 s LEU 214 Ca 0.28 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1a81 s LEU 214 Cb -0.16 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1a81 s LEU 214 CO 0.13 0.25 -0.01 -1.00 0.23 0.00 0.00 176.35 175.95 1a81 s HIS 215 N -0.19 3.00 -0.15 0.29 3.76 -1.25 -1.30 115.29 119.45 1a81 s HIS 215 Ca -0.03 -0.67 0.02 0.00 -0.15 0.00 0.00 55.06 54.23 1a81 s HIS 215 Cb -0.14 -2.11 0.01 0.00 1.11 0.00 0.00 32.58 31.45 1a81 s HIS 215 CO 0.03 -0.40 -0.20 0.71 -0.85 0.00 0.00 174.74 174.04 1a81 s TYR 216 N 1.30 2.71 0.22 1.40 2.02 0.13 -4.94 117.35 120.19 1a81 s TYR 216 Ca 0.04 -1.30 -0.30 0.00 -0.37 0.00 0.00 57.07 55.14 1a81 s TYR 216 Cb -0.15 -1.85 -0.09 0.00 -0.40 0.00 0.00 41.96 39.48 1a81 s TYR 216 CO 0.00 -0.60 1.15 0.50 -1.57 0.00 0.00 175.55 175.03 1a81 s ARG 217 N 0.87 4.56 0.04 -0.62 3.52 -1.26 0.12 118.95 126.18 1a81 s ARG 217 Ca -0.05 1.83 0.08 0.00 -0.13 0.00 0.00 55.73 57.46 1a81 s ARG 217 Cb -0.15 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 29.99 1a81 s ARG 217 CO -0.03 0.05 -0.23 0.42 -0.81 0.00 0.00 175.30 174.71 1a81 s ILE 218 N -0.54 1.82 -0.01 4.11 1.01 -0.89 -3.89 121.20 122.81 1a81 s ILE 218 Ca 0.49 -1.22 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 1a81 s ILE 218 Cb -0.32 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1a81 s ILE 218 CO 0.39 0.29 0.21 1.51 0.00 0.00 0.00 174.94 177.34 1a81 s ASP 219 N -1.11 -0.08 -0.44 3.58 1.47 -1.23 -3.51 116.67 115.35 1a81 s ASP 219 Ca 0.09 -0.05 -0.17 0.00 1.18 0.00 0.00 52.55 53.60 1a81 s ASP 219 Cb -0.09 0.27 0.03 0.00 -0.34 0.00 0.00 42.92 42.79 1a81 s ASP 219 CO 0.02 -0.38 0.44 -0.75 0.68 0.00 0.00 175.17 175.17 1a81 s LYS 220 N -1.27 3.07 1.17 2.11 2.20 -1.20 -1.50 119.74 124.31 1a81 s LYS 220 Ca -0.13 -0.88 -0.18 0.00 -0.36 0.00 0.00 55.97 54.41 1a81 s LYS 220 Cb -0.06 -4.01 0.27 0.00 -1.51 0.00 0.00 37.83 32.52 1a81 s LYS 220 CO 0.03 -0.91 1.12 0.16 -0.36 0.00 0.00 175.35 175.38 1a81 s ASP 221 N 2.01 1.22 0.47 1.43 -4.77 -0.35 -4.75 116.67 111.93 1a81 s ASP 221 Ca 0.11 0.66 0.33 0.00 -3.30 0.00 0.00 52.55 50.34 1a81 s ASP 221 Cb -0.18 -0.93 1.44 0.00 -1.09 0.00 0.00 42.92 42.16 1a81 s ASP 221 CO 0.12 -3.94 1.69 0.07 0.70 0.00 0.00 175.17 173.80 1a81 h LYS 222 N -2.46 0.11 0.00 2.11 5.09 -1.97 0.32 116.57 119.77 1a81 h LYS 222 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.28 1a81 h LYS 222 Cb 1.29 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.60 1a81 h LYS 222 CO 0.37 0.07 0.00 2.41 -2.09 0.00 0.00 179.45 180.21 1a81 n THR 223 N -4.44 0.01 -1.14 0.07 -1.04 -1.26 -4.87 114.28 101.61 1a81 n THR 223 Ca 0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1a81 n THR 223 Cb 1.37 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 1a81 n THR 223 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a81 n GLY 224 N 1.23 0.51 3.33 3.41 0.00 0.11 -5.04 105.19 108.75 1a81 n GLY 224 Ca 0.15 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1a81 n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a81 s LYS 225 N -2.33 3.34 0.23 1.61 1.02 -1.25 -4.88 119.74 117.49 1a81 s LYS 225 Ca 0.00 -0.69 -0.19 0.00 0.02 0.00 0.00 55.97 55.11 1a81 s LYS 225 Cb 0.00 -2.71 -0.08 0.00 -0.52 0.00 0.00 37.83 34.52 1a81 s LYS 225 CO 0.00 0.08 0.73 -0.51 -0.92 0.00 0.00 175.35 174.73 1a81 s LEU 226 N 0.70 4.32 -0.30 3.17 1.02 -0.74 -1.22 118.68 125.63 1a81 s LEU 226 Ca -0.06 1.42 -0.21 0.00 0.02 0.00 0.00 54.13 55.30 1a81 s LEU 226 Cb -0.15 -3.64 0.18 0.00 0.02 0.00 0.00 46.19 42.60 1a81 s LEU 226 CO 0.02 0.01 1.29 -0.55 0.02 0.00 0.00 176.35 177.14 1a81 s SER 227 N -1.71 -0.15 0.43 2.29 0.15 -0.56 -1.64 113.70 112.52 1a81 s SER 227 Ca 0.44 0.27 -0.26 0.00 0.70 0.00 0.00 55.95 57.10 1a81 s SER 227 Cb -0.16 0.58 -0.09 0.00 -1.71 0.00 0.00 66.02 64.64 1a81 s SER 227 CO 0.21 -0.05 1.45 -0.63 1.20 0.00 0.00 173.24 175.42 1a81 s ILE 228 N 0.48 2.05 -0.15 6.45 1.01 -1.26 -3.52 121.20 126.26 1a81 s ILE 228 Ca 0.01 0.04 -0.41 0.00 0.00 0.00 0.00 60.65 60.29 1a81 s ILE 228 Cb -0.04 -3.02 -0.18 0.00 0.01 0.00 0.00 42.46 39.22 1a81 s ILE 228 CO -0.13 0.01 1.41 -2.65 0.00 0.00 0.00 174.94 173.58 1a81 n PRO 229 N -0.03 0.58 -0.97 2.79 -0.02 -1.25 -0.06 135.00 136.05 1a81 n PRO 229 Ca 0.04 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1a81 n PRO 229 Cb 0.41 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1a81 n PRO 229 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a81 n GLU 230 N 3.20 -0.23 -4.64 -0.52 -0.58 -1.26 -5.01 120.64 111.60 1a81 n GLU 230 Ca 0.23 0.06 -0.31 0.00 -0.42 0.00 0.00 57.16 56.72 1a81 n GLU 230 Cb 0.09 -3.17 -0.08 0.00 -0.57 0.00 0.00 31.44 27.71 1a81 n GLU 230 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1a81 s GLY 231 N -2.00 2.81 0.68 0.62 0.00 0.91 -5.11 107.32 105.23 1a81 s GLY 231 Ca 0.00 -1.08 -0.17 0.00 0.00 0.00 0.00 44.72 43.47 1a81 s GLY 231 CO 0.00 -2.14 0.06 0.28 0.00 0.00 0.00 173.10 171.30 1a81 n LYS 232 N -1.21 0.15 -5.28 2.90 4.76 -1.26 -4.53 118.16 113.69 1a81 n LYS 232 Ca -0.13 0.07 -0.31 0.00 -2.87 0.00 0.00 58.31 55.07 1a81 n LYS 232 Cb 0.67 -1.37 -0.16 0.00 -1.84 0.00 0.00 35.03 32.32 1a81 n LYS 232 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a81 s LYS 233 N -1.94 2.35 0.16 1.97 1.02 -1.26 -4.21 119.74 117.83 1a81 s LYS 233 Ca 0.58 -0.91 0.04 0.00 0.02 0.00 0.00 55.97 55.69 1a81 s LYS 233 Cb -0.38 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1a81 s LYS 233 CO 0.65 0.46 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.41 1a81 s PHE 234 N -0.36 1.28 0.09 3.18 0.40 -0.65 -4.77 117.98 117.16 1a81 s PHE 234 Ca 0.02 -0.84 -0.06 0.00 -0.60 0.00 0.00 56.93 55.45 1a81 s PHE 234 Cb -0.12 -0.69 -0.23 0.00 0.51 0.00 0.00 43.02 42.49 1a81 s PHE 234 CO 0.02 -0.01 1.18 -0.44 0.70 0.00 0.00 175.22 176.67 1a81 h ASP 235 N 2.72 0.54 -2.63 1.36 3.32 -1.71 -1.96 116.42 118.06 1a81 h ASP 235 Ca -0.37 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.16 1a81 h ASP 235 Cb 1.20 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1a81 h ASP 235 CO 0.64 1.37 0.00 0.35 -1.72 0.00 0.00 179.24 179.88 1a81 n THR 236 N -3.64 0.00 -0.11 0.35 -2.24 -1.26 -4.61 114.28 102.76 1a81 n THR 236 Ca -0.09 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 1a81 n THR 236 Cb 0.97 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.12 1a81 n THR 236 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1a81 n LEU 237 N 0.00 1.61 0.25 3.22 4.32 -1.26 -2.31 117.00 122.82 1a81 n LEU 237 Ca 0.00 0.28 0.02 0.00 -0.02 0.00 0.00 56.01 56.29 1a81 n LEU 237 Cb 0.00 -0.67 0.11 0.00 -1.62 0.00 0.00 43.42 41.23 1a81 n LEU 237 CO 0.00 0.47 0.89 4.11 -1.22 0.00 0.00 177.39 181.63 1a81 h TRP 238 N -0.82 0.00 0.00 -1.77 5.08 -1.94 2.37 115.95 118.88 1a81 h TRP 238 Ca -0.57 0.00 -0.40 0.00 1.08 0.00 0.00 58.89 58.99 1a81 h TRP 238 Cb 1.50 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.59 1a81 h TRP 238 CO -0.08 0.00 -2.46 0.00 -1.28 0.00 0.00 178.44 174.63 1a81 n GLN 239 N -2.18 0.61 -0.14 0.12 10.64 -1.26 -3.29 117.38 121.88 1a81 n GLN 239 Ca -0.00 0.18 -0.03 0.00 -1.83 0.00 0.00 57.00 55.32 1a81 n GLN 239 Cb 0.77 -1.49 0.05 0.00 -0.86 0.00 0.00 30.24 28.72 1a81 n GLN 239 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1a81 h LEU 240 N -0.33 -0.13 0.00 2.61 6.46 0.42 -1.98 115.31 122.35 1a81 h LEU 240 Ca -0.60 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 1a81 h LEU 240 Cb 1.78 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.87 1a81 h LEU 240 CO -0.20 -0.03 0.00 0.52 -0.62 0.00 0.00 178.44 178.11 1a81 n VAL 241 N -5.18 0.00 -0.27 1.05 0.31 0.13 -1.83 118.33 112.53 1a81 n VAL 241 Ca 0.05 1.25 0.22 0.00 -0.01 0.00 0.00 64.34 65.85 1a81 n VAL 241 Cb 0.24 -2.23 0.33 0.00 -0.91 0.00 0.00 33.84 31.27 1a81 n VAL 241 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1a81 n GLU 242 N -1.30 0.00 -0.02 5.55 2.13 -1.15 0.19 120.64 126.04 1a81 n GLU 242 Ca 0.00 0.49 -0.00 0.00 0.66 0.00 0.00 57.16 58.31 1a81 n GLU 242 Cb 0.00 -1.16 -0.00 0.00 0.27 0.00 0.00 31.44 30.55 1a81 n GLU 242 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1a81 h HIS 243 N 0.00 0.00 0.00 4.31 2.76 -1.04 -3.37 115.15 117.81 1a81 h HIS 243 Ca 0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 1a81 h HIS 243 Cb 1.65 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.61 1a81 h HIS 243 CO 0.00 0.00 0.09 0.66 -1.30 0.00 0.00 177.93 177.38 1a81 n TYR 244 N -2.91 0.62 -1.06 5.26 4.01 0.13 0.25 117.16 123.45 1a81 n TYR 244 Ca -0.00 0.32 -0.25 0.00 -0.16 0.00 0.00 57.90 57.81 1a81 n TYR 244 Cb 0.01 -0.96 0.11 0.00 -0.31 0.00 0.00 39.34 38.20 1a81 n TYR 244 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1a81 n SER 245 N -2.16 5.52 0.00 7.72 3.41 -0.01 -2.72 113.62 125.38 1a81 n SER 245 Ca -0.01 -3.49 0.00 0.00 -0.26 0.00 0.00 58.87 55.11 1a81 n SER 245 Cb 0.11 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1a81 n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a81 n TYR 246 N -0.74 -0.01 -3.70 7.33 9.36 0.14 -4.81 117.16 124.73 1a81 n TYR 246 Ca 0.53 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.64 1a81 n TYR 246 Cb 1.07 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.67 1a81 n TYR 246 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1a81 s LYS 247 N -1.01 0.33 0.24 2.98 2.20 -0.94 -5.02 119.74 118.51 1a81 s LYS 247 Ca 0.00 0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 56.21 1a81 s LYS 247 Cb 0.00 -0.05 0.32 0.00 -1.51 0.00 0.00 37.83 36.60 1a81 s LYS 247 CO 0.00 -0.16 1.60 0.00 -0.36 0.00 0.00 175.35 176.42 1a81 h ALA 248 N 7.20 0.50 -4.50 3.13 0.00 -1.84 -3.39 119.26 120.36 1a81 h ALA 248 Ca -0.37 0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 1a81 h ALA 248 Cb 1.17 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1a81 h ALA 248 CO 0.31 -0.42 -0.36 -3.47 0.00 0.00 0.00 179.25 175.31 1a81 n ASP 249 N -5.51 -3.53 0.00 0.00 2.03 -1.26 -1.94 116.55 106.34 1a81 n ASP 249 Ca 0.11 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1a81 n ASP 249 Cb 0.40 -2.99 0.00 0.00 -0.72 0.00 0.00 41.12 37.81 1a81 n ASP 249 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a81 n GLY 250 N -0.90 1.77 3.83 0.27 0.00 -1.26 -4.86 105.19 104.04 1a81 n GLY 250 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1a81 n GLY 250 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a81 s LEU 251 N 0.00 3.21 0.50 0.99 1.43 -0.82 -4.92 118.68 119.08 1a81 s LEU 251 Ca 0.00 1.59 0.33 0.00 -1.03 0.00 0.00 54.13 55.02 1a81 s LEU 251 Cb 0.00 -4.49 1.58 0.00 0.03 0.00 0.00 46.19 43.31 1a81 s LEU 251 CO 0.00 -1.25 2.00 -0.07 0.23 0.00 0.00 176.35 177.26 1a81 h LEU 252 N -0.45 0.00 -7.74 1.79 -0.00 -2.00 -3.46 115.31 103.46 1a81 h LEU 252 Ca -0.44 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 57.61 1a81 h LEU 252 Cb 1.21 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.80 1a81 h LEU 252 CO 0.58 0.00 0.50 0.00 -0.00 0.00 0.00 178.44 179.53 1a81 s ARG 253 N -3.73 1.26 0.17 1.13 1.70 -1.26 -5.11 118.95 113.10 1a81 s ARG 253 Ca -0.01 -0.73 -0.18 0.00 -0.47 0.00 0.00 55.73 54.34 1a81 s ARG 253 Cb 0.10 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.81 1a81 s ARG 253 CO 0.43 -0.58 0.63 0.54 -1.08 0.00 0.00 175.30 175.24 1a81 s VAL 254 N -2.96 4.70 0.64 4.99 0.11 -1.26 -4.70 120.40 121.91 1a81 s VAL 254 Ca 0.15 1.11 -0.18 0.00 -2.93 0.00 0.00 61.98 60.13 1a81 s VAL 254 Cb -0.02 -3.83 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1a81 s VAL 254 CO 0.03 0.29 1.28 -0.76 -3.33 0.00 0.00 175.10 172.62 1a81 s LEU 255 N -1.79 3.59 0.00 2.54 1.43 -1.10 -4.68 118.68 118.67 1a81 s LEU 255 Ca 0.38 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 56.08 1a81 s LEU 255 Cb -0.17 -4.61 0.00 0.00 0.03 0.00 0.00 46.19 41.44 1a81 s LEU 255 CO 0.20 -1.95 0.00 0.35 0.23 0.00 0.00 176.35 175.19 1a81 n THR 256 N -1.85 0.00 -4.22 5.49 -2.24 -0.10 -4.67 114.28 106.69 1a81 n THR 256 Ca 0.16 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.58 1a81 n THR 256 Cb 0.48 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 1a81 n THR 256 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1a81 s VAL 257 N 0.00 4.64 -0.26 2.28 -7.23 -1.25 -4.95 120.40 113.63 1a81 s VAL 257 Ca 0.00 -0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 59.76 1a81 s VAL 257 Cb 0.00 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.95 1a81 s VAL 257 CO 0.00 0.59 1.33 -2.16 -0.31 0.00 0.00 175.10 174.55 1a81 s PRO 258 N -0.74 3.96 0.18 4.82 0.04 -1.26 0.10 135.00 142.10 1a81 s PRO 258 Ca 0.12 1.38 -0.33 0.00 0.04 0.00 0.00 61.00 62.21 1a81 s PRO 258 Cb -0.12 -3.88 -0.15 0.00 0.04 0.00 0.00 34.50 30.40 1a81 s PRO 258 CO 0.02 -1.06 1.25 0.00 0.04 0.00 0.00 177.00 177.26 1a81 s GLN 260 N -0.25 3.36 0.11 0.00 2.00 -1.26 -4.59 119.66 119.02 1a81 s GLN 260 Ca 0.73 1.93 0.05 0.00 -2.00 0.00 0.00 55.36 56.07 1a81 s GLN 260 Cb -0.81 -2.23 -0.04 0.00 0.80 0.00 0.00 33.01 30.73 1a81 s GLN 260 CO 0.50 -0.92 0.02 -1.59 -0.50 0.00 0.00 175.29 172.80 1a81 s LYS 261 N -2.93 2.58 0.00 1.67 -2.85 -1.26 -4.94 119.74 112.00 1a81 s LYS 261 Ca 0.70 -0.87 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 1a81 s LYS 261 Cb -0.33 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 1a81 s LYS 261 CO 0.38 0.52 0.42 -0.89 0.10 0.00 0.00 175.35 175.89