#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 0.35 0.18 -1.46 0.00 -1.26 -3.76 120.51 114.56 1a81 n ALA 10 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1a81 n ALA 10 Cb 0.00 -0.35 0.32 0.00 0.00 0.00 0.00 19.45 19.42 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 0.33 0.00 0.41 0.00 4.21 -2.03 -1.43 115.58 117.07 1a81 h ASN 11 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1a81 h ASN 11 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1a81 h ASN 11 CO 0.00 0.43 0.00 0.00 -1.29 0.00 0.00 177.43 176.57 1a81 n HIS 12 N -4.00 0.00 -2.36 1.19 1.44 -1.25 -4.60 115.22 105.64 1a81 n HIS 12 Ca -0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.26 1a81 n HIS 12 Cb 0.46 -0.44 -0.02 0.00 0.12 0.00 0.00 29.99 30.11 1a81 n HIS 12 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1a81 s LEU 13 N -2.88 3.58 0.00 2.39 2.01 -0.54 -4.90 118.68 118.34 1a81 s LEU 13 Ca 0.09 0.79 0.06 0.00 0.01 0.00 0.00 54.13 55.08 1a81 s LEU 13 Cb 0.09 -3.53 0.28 0.00 0.01 0.00 0.00 46.19 43.04 1a81 s LEU 13 CO 0.24 -1.43 1.14 -0.81 1.01 0.00 0.00 176.35 176.49 1a81 n PRO 14 N 8.09 0.03 -0.13 1.29 -0.04 -1.26 -0.85 135.00 142.13 1a81 n PRO 14 Ca 0.16 0.33 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1a81 n PRO 14 Cb 0.48 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.59 1a81 n PRO 14 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1a81 n PHE 15 N -1.42 0.17 -3.66 0.54 -1.74 -1.26 0.32 117.46 110.42 1a81 n PHE 15 Ca 0.02 -0.93 -0.37 0.00 -0.56 0.00 0.00 57.45 55.61 1a81 n PHE 15 Cb 0.06 -0.17 -0.11 0.00 1.52 0.00 0.00 39.48 40.79 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 -2.67 3.24 -0.77 2.97 5.36 -0.03 -1.60 117.98 124.47 1a81 s PHE 16 Ca 0.31 0.08 0.01 0.00 -0.96 0.00 0.00 56.93 56.37 1a81 s PHE 16 Cb 0.26 -2.30 0.19 0.00 -0.34 0.00 0.00 43.02 40.83 1a81 s PHE 16 CO 0.04 -0.09 0.61 -0.06 -1.46 0.00 0.00 175.22 174.26 1a81 s PHE 17 N 1.41 3.68 0.00 10.12 0.08 0.10 -4.61 117.98 128.76 1a81 s PHE 17 Ca 0.07 -3.10 0.00 0.00 0.12 0.00 0.00 56.93 54.02 1a81 s PHE 17 Cb -0.15 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1a81 s PHE 17 CO 0.07 -0.69 0.00 0.41 -0.10 0.00 0.00 175.22 174.91 1a81 n GLY 18 N 2.42 0.00 3.58 4.36 0.00 -1.26 -3.83 105.19 110.46 1a81 n GLY 18 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 6.41 0.07 1.61 3.84 -1.15 -2.08 114.94 123.64 1a81 s ASN 19 Ca 0.00 0.03 0.07 0.00 0.21 0.00 0.00 52.86 53.18 1a81 s ASN 19 Cb 0.00 -2.55 -0.03 0.00 -0.55 0.00 0.00 41.25 38.12 1a81 s ASN 19 CO 0.00 -1.51 -0.20 -0.63 -2.79 0.00 0.00 177.10 171.97 1a81 s ILE 20 N 5.01 1.63 0.61 -5.21 1.09 -1.25 -4.60 121.20 118.48 1a81 s ILE 20 Ca 0.42 -1.31 -0.15 0.00 -1.10 0.00 0.00 60.65 58.51 1a81 s ILE 20 Cb -0.08 -1.45 -0.03 0.00 -1.06 0.00 0.00 42.46 39.85 1a81 s ILE 20 CO 0.24 0.08 1.06 0.28 -0.10 0.00 0.00 174.94 176.50 1a81 s THR 21 N -0.95 3.84 0.25 2.92 -1.32 -1.26 -4.88 115.64 114.25 1a81 s THR 21 Ca 0.06 0.82 -0.03 0.00 -1.21 0.00 0.00 61.69 61.34 1a81 s THR 21 Cb -0.09 -3.38 0.23 0.00 -1.51 0.00 0.00 72.50 67.75 1a81 s THR 21 CO 0.03 -0.56 1.79 -0.09 -2.21 0.00 0.00 174.62 173.57 1a81 h ARG 22 N 0.25 0.68 0.35 7.08 2.43 -1.99 -2.01 114.38 121.18 1a81 h ARG 22 Ca -0.46 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1a81 h ARG 22 Cb 1.22 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1a81 h ARG 22 CO 0.57 0.45 -0.40 0.93 -1.51 0.00 0.00 179.97 180.01 1a81 h GLU 23 N 0.71 -0.76 -0.95 0.20 3.07 -2.00 -2.36 114.58 112.48 1a81 h GLU 23 Ca 0.43 0.05 0.27 0.00 -0.50 0.00 0.00 59.36 59.61 1a81 h GLU 23 Cb 0.51 0.17 -0.14 0.00 -0.84 0.00 0.00 28.75 28.46 1a81 h GLU 23 CO -0.31 -0.51 0.45 0.93 -1.40 0.00 0.00 179.01 178.18 1a81 h GLU 24 N -0.79 0.33 0.61 2.33 5.08 -1.74 -0.87 114.58 119.53 1a81 h GLU 24 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1a81 h GLU 24 Cb 0.72 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.90 1a81 h GLU 24 CO -0.09 0.22 -0.29 0.00 -1.00 0.00 0.00 179.01 177.85 1a81 h ALA 25 N 1.79 -1.14 -1.13 3.43 0.00 -0.91 -1.30 119.26 120.00 1a81 h ALA 25 Ca 0.64 -0.18 0.36 0.00 0.00 0.00 0.00 54.91 55.74 1a81 h ALA 25 Cb 1.34 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 19.31 1a81 h ALA 25 CO -0.59 -1.08 0.69 0.93 0.00 0.00 0.00 179.25 179.20 1a81 h GLU 26 N -0.87 0.21 0.50 0.00 5.08 -0.88 0.15 114.58 118.76 1a81 h GLU 26 Ca -0.08 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1a81 h GLU 26 Cb 0.62 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1a81 h GLU 26 CO 0.14 0.14 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.61 1a81 h ASP 27 N 0.22 -0.56 -1.16 1.42 3.32 -0.84 -2.21 116.42 116.61 1a81 h ASP 27 Ca 0.76 0.02 0.44 0.00 0.02 0.00 0.00 57.03 58.27 1a81 h ASP 27 Cb 2.04 0.15 -0.16 0.00 0.22 0.00 0.00 39.33 41.57 1a81 h ASP 27 CO -0.50 -0.39 0.68 1.88 -1.72 0.00 0.00 179.24 179.20 1a81 h TYR 28 N -0.70 0.70 -0.38 4.55 0.05 0.40 0.22 116.97 121.81 1a81 h TYR 28 Ca -0.07 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.59 1a81 h TYR 28 Cb 0.51 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1a81 h TYR 28 CO 0.10 -0.39 -0.38 -0.07 -1.05 0.00 0.00 178.16 176.37 1a81 h LEU 29 N 0.01 0.99 -0.13 3.88 3.38 -0.58 0.22 115.31 123.09 1a81 h LEU 29 Ca 0.86 -0.47 -0.24 0.00 0.09 0.00 0.00 57.88 58.13 1a81 h LEU 29 Cb 2.48 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 42.96 1a81 h LEU 29 CO -0.64 1.25 -0.93 -0.37 0.09 0.00 0.00 178.44 177.84 1a81 h VAL 30 N 0.74 1.33 0.00 1.22 -1.51 -0.34 -0.21 116.25 117.48 1a81 h VAL 30 Ca 0.06 -2.25 0.00 0.00 -1.23 0.00 0.00 66.70 63.28 1a81 h VAL 30 Cb 0.97 2.29 0.00 0.00 -2.13 0.00 0.00 31.29 32.42 1a81 h VAL 30 CO 0.09 0.69 0.00 0.00 -1.23 0.00 0.00 177.57 177.12 1a81 n GLN 31 N -3.83 0.29 -0.01 5.19 -0.00 0.54 -1.16 117.38 118.39 1a81 n GLN 31 Ca -0.08 0.07 0.09 0.00 -0.00 0.00 0.00 57.00 57.07 1a81 n GLN 31 Cb 0.83 -1.50 -0.13 0.00 -0.00 0.00 0.00 30.24 29.44 1a81 n GLN 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a81 n GLY 32 N -0.30 -0.75 0.00 2.61 0.00 0.77 -5.00 105.19 102.52 1a81 n GLY 32 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.50 3.92 2.31 -0.02 0.00 -0.31 -4.84 105.19 107.74 1a81 n GLY 33 Ca -0.02 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.12 -2.83 1.61 1.56 -0.24 -4.91 117.12 111.20 1a81 n MET 34 Ca 0.00 0.77 -0.41 0.00 -0.27 0.00 0.00 57.70 57.79 1a81 n MET 34 Cb 0.00 -5.03 -0.04 0.00 2.15 0.00 0.00 33.22 30.30 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 -2.47 7.24 -0.09 6.12 1.04 -1.26 -4.56 113.70 119.72 1a81 s SER 35 Ca 0.00 1.50 -0.41 0.00 0.48 0.00 0.00 55.95 57.52 1a81 s SER 35 Cb 0.00 -2.52 -0.19 0.00 0.10 0.00 0.00 66.02 63.41 1a81 s SER 35 CO 0.00 -0.20 1.22 0.47 0.98 0.00 0.00 173.24 175.71 1a81 n ASP 36 N 3.83 0.50 0.00 7.02 8.00 -1.26 -0.66 116.55 133.97 1a81 n ASP 36 Ca 0.03 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.69 1a81 n ASP 36 Cb 0.51 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1a81 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a81 n GLY 37 N 2.16 0.59 3.71 0.44 0.00 -0.31 -4.81 105.19 106.98 1a81 n GLY 37 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 4.37 0.05 0.99 0.20 0.16 -2.30 118.68 122.16 1a81 s LEU 38 Ca 0.00 1.92 -0.03 0.00 0.69 0.00 0.00 54.13 56.71 1a81 s LEU 38 Cb 0.00 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.15 1a81 s LEU 38 CO 0.00 -0.41 0.02 -0.72 -0.29 0.00 0.00 176.35 174.95 1a81 s TYR 39 N 1.02 0.41 -0.01 5.38 -0.85 -0.23 -0.24 117.35 122.83 1a81 s TYR 39 Ca 0.57 -0.90 -0.15 0.00 -0.52 0.00 0.00 57.07 56.07 1a81 s TYR 39 Cb -0.27 -0.30 0.02 0.00 0.38 0.00 0.00 41.96 41.79 1a81 s TYR 39 CO 0.29 -0.39 0.31 -0.48 -1.52 0.00 0.00 175.55 173.76 1a81 s LEU 40 N -2.74 0.85 -0.17 -3.49 0.05 0.24 -0.05 118.68 113.38 1a81 s LEU 40 Ca 0.04 0.08 0.00 0.00 0.05 0.00 0.00 54.13 54.30 1a81 s LEU 40 Cb 0.05 1.27 0.01 0.00 -2.05 0.00 0.00 46.19 45.47 1a81 s LEU 40 CO -0.09 -0.45 -0.16 -0.22 -0.55 0.00 0.00 176.35 174.88 1a81 s LEU 41 N -1.33 2.36 0.26 1.48 1.98 -0.63 -0.34 118.68 122.47 1a81 s LEU 41 Ca -0.14 -0.54 0.08 0.00 -2.89 0.00 0.00 54.13 50.65 1a81 s LEU 41 Cb -0.05 -1.54 -0.05 0.00 0.66 0.00 0.00 46.19 45.20 1a81 s LEU 41 CO 0.04 0.04 -0.11 0.00 -1.89 0.00 0.00 176.35 174.43 1a81 s ARG 42 N 1.07 1.53 0.41 1.98 1.70 -0.92 -0.72 118.95 123.99 1a81 s ARG 42 Ca -0.01 -1.73 -0.23 0.00 -0.47 0.00 0.00 55.73 53.29 1a81 s ARG 42 Cb -0.14 -1.31 -0.09 0.00 -0.57 0.00 0.00 34.95 32.84 1a81 s ARG 42 CO -0.05 0.15 1.02 -1.14 -1.08 0.00 0.00 175.30 174.19 1a81 s GLN 43 N -3.65 4.15 0.54 3.89 0.74 -0.88 -0.69 119.66 123.75 1a81 s GLN 43 Ca 0.28 1.39 -0.07 0.00 0.05 0.00 0.00 55.36 57.01 1a81 s GLN 43 Cb 0.01 -2.42 -0.03 0.00 1.10 0.00 0.00 33.01 31.66 1a81 s GLN 43 CO 0.11 -0.13 0.88 0.45 -0.55 0.00 0.00 175.29 176.05 1a81 s SER 44 N -1.76 6.21 -0.10 6.67 0.15 -1.04 -4.56 113.70 119.26 1a81 s SER 44 Ca 0.60 1.09 0.16 0.00 0.70 0.00 0.00 55.95 58.49 1a81 s SER 44 Cb -0.18 -2.29 0.36 0.00 -1.71 0.00 0.00 66.02 62.19 1a81 s SER 44 CO 0.23 -0.71 1.17 -2.11 1.20 0.00 0.00 173.24 173.02 1a81 n ARG 45 N -2.45 0.81 0.00 5.44 1.85 -1.26 -4.66 116.66 116.39 1a81 n ARG 45 Ca 0.03 -2.49 0.00 0.00 -1.00 0.00 0.00 57.85 54.39 1a81 n ARG 45 Cb 0.55 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 31.04 1a81 n ARG 45 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1a81 n ASN 46 N -0.48 0.00 -3.87 2.89 6.94 -1.26 -4.88 115.26 114.60 1a81 n ASN 46 Ca 0.12 -1.00 -0.23 0.00 -0.02 0.00 0.00 54.58 53.45 1a81 n ASN 46 Cb 0.84 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 38.09 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 0.94 0.42 -2.53 1.51 -1.26 -1.42 117.35 115.01 1a81 s TYR 47 Ca 0.00 -0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 55.46 1a81 s TYR 47 Cb 0.00 -0.86 -0.09 0.00 -0.11 0.00 0.00 41.96 40.90 1a81 s TYR 47 CO 0.00 -0.30 1.41 -0.51 -1.11 0.00 0.00 175.55 175.04 1a81 s LEU 48 N 1.35 4.20 0.00 -1.29 2.01 -1.26 -2.64 118.68 121.05 1a81 s LEU 48 Ca -0.04 2.89 0.00 0.00 0.01 0.00 0.00 54.13 56.99 1a81 s LEU 48 Cb -0.14 -3.85 0.00 0.00 0.01 0.00 0.00 46.19 42.22 1a81 s LEU 48 CO -0.03 -1.00 0.00 0.61 1.01 0.00 0.00 176.35 176.94 1a81 n GLY 49 N 0.58 0.00 0.00 -3.19 0.00 -1.26 -4.67 105.19 96.65 1a81 n GLY 49 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.59 1.00 3.55 -0.02 0.00 -1.08 -4.68 105.19 104.54 1a81 n GLY 50 Ca 0.00 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 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 0.44 0.79 0.01 1.61 0.40 -0.82 -2.51 117.98 117.91 1a81 s PHE 51 Ca 0.00 -1.12 0.01 0.00 -0.60 0.00 0.00 56.93 55.22 1a81 s PHE 51 Cb 0.00 0.10 -0.01 0.00 0.51 0.00 0.00 43.02 43.62 1a81 s PHE 51 CO 0.00 -1.17 -0.04 0.00 0.70 0.00 0.00 175.22 174.71 1a81 s ALA 52 N -3.14 0.29 -0.21 5.36 0.00 0.13 0.32 121.76 124.51 1a81 s ALA 52 Ca 0.27 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 1a81 s ALA 52 Cb -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1a81 s ALA 52 CO 0.17 -0.00 0.01 -1.17 0.00 0.00 0.00 175.76 174.77 1a81 s LEU 53 N -0.67 3.30 -0.27 0.00 1.98 0.65 -2.17 118.68 121.50 1a81 s LEU 53 Ca -0.05 -0.20 -0.05 0.00 -2.89 0.00 0.00 54.13 50.95 1a81 s LEU 53 Cb -0.05 -1.85 0.01 0.00 0.66 0.00 0.00 46.19 44.96 1a81 s LEU 53 CO -0.00 0.05 0.02 -0.44 -1.89 0.00 0.00 176.35 174.08 1a81 s SER 54 N 1.12 4.75 -0.03 3.68 0.01 0.54 0.55 113.70 124.32 1a81 s SER 54 Ca 0.03 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.63 1a81 s SER 54 Cb -0.14 -1.79 0.01 0.00 0.21 0.00 0.00 66.02 64.30 1a81 s SER 54 CO 0.02 -0.14 -0.08 0.68 0.41 0.00 0.00 173.24 174.13 1a81 s VAL 55 N 1.45 0.70 -0.10 3.43 -7.23 -0.50 0.81 120.40 118.96 1a81 s VAL 55 Ca 0.03 -0.30 -0.25 0.00 -1.81 0.00 0.00 61.98 59.64 1a81 s VAL 55 Cb -0.16 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1a81 s VAL 55 CO -0.01 0.23 0.78 0.00 -0.31 0.00 0.00 175.10 175.80 1a81 s ALA 56 N 0.30 3.39 -0.30 1.32 0.00 0.67 -0.48 121.76 126.65 1a81 s ALA 56 Ca -0.04 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 1a81 s ALA 56 Cb -0.09 -3.11 0.18 0.00 0.00 0.00 0.00 23.12 20.10 1a81 s ALA 56 CO 0.00 -0.34 0.72 -1.58 0.00 0.00 0.00 175.76 174.56 1a81 s HIS 57 N 1.38 -1.29 0.00 0.00 5.04 0.51 -1.16 115.29 119.77 1a81 s HIS 57 Ca 0.39 1.52 0.00 0.00 -1.54 0.00 0.00 55.06 55.43 1a81 s HIS 57 Cb -0.18 0.51 0.00 0.00 0.04 0.00 0.00 32.58 32.95 1a81 s HIS 57 CO 0.17 -0.70 0.00 0.41 -2.34 0.00 0.00 174.74 172.28 1a81 n GLY 58 N 5.41 1.00 3.46 1.59 0.00 -1.26 -3.54 105.19 111.85 1a81 n GLY 58 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1a81 n GLY 58 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a81 n ARG 59 N -0.58 -0.85 -4.09 1.61 1.85 -1.26 -4.93 116.66 108.40 1a81 n ARG 59 Ca 0.00 0.21 -0.26 0.00 -1.00 0.00 0.00 57.85 56.81 1a81 n ARG 59 Cb 0.30 -4.58 -0.05 0.00 -1.05 0.00 0.00 32.46 27.08 1a81 n ARG 59 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1a81 s LYS 60 N -1.35 2.26 0.19 2.89 1.02 -1.23 -5.13 119.74 118.38 1a81 s LYS 60 Ca 0.00 -1.93 0.11 0.00 0.02 0.00 0.00 55.97 54.17 1a81 s LYS 60 Cb 0.00 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1a81 s LYS 60 CO 0.00 -0.29 -0.24 0.00 -0.92 0.00 0.00 175.35 173.90 1a81 s ALA 61 N -2.67 2.54 -0.06 5.17 0.00 -1.26 -0.36 121.76 125.12 1a81 s ALA 61 Ca 0.35 -1.61 -0.00 0.00 0.00 0.00 0.00 51.96 50.70 1a81 s ALA 61 Cb 0.01 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.80 1a81 s ALA 61 CO 0.20 0.45 -0.01 -1.01 0.00 0.00 0.00 175.76 175.39 1a81 s HIS 62 N -1.60 0.60 -0.18 0.00 0.09 0.37 -4.93 115.29 109.63 1a81 s HIS 62 Ca 0.20 -0.13 -0.06 0.00 -0.00 0.00 0.00 55.06 55.07 1a81 s HIS 62 Cb -0.08 -0.68 -0.03 0.00 -0.00 0.00 0.00 32.58 31.78 1a81 s HIS 62 CO 0.10 -0.25 0.02 -1.01 -0.00 0.00 0.00 174.74 173.60 1a81 s HIS 63 N 1.53 3.14 -0.04 1.40 3.76 -1.25 -1.41 115.29 122.42 1a81 s HIS 63 Ca -0.02 -0.15 0.06 0.00 -0.15 0.00 0.00 55.06 54.80 1a81 s HIS 63 Cb -0.13 -2.05 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 1a81 s HIS 63 CO -0.03 0.01 -0.21 0.71 -0.85 0.00 0.00 174.74 174.37 1a81 s TYR 64 N 0.53 1.99 -0.15 1.40 1.51 0.19 -4.91 117.35 117.91 1a81 s TYR 64 Ca 0.00 -0.50 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1a81 s TYR 64 Cb -0.13 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1a81 s TYR 64 CO 0.02 -0.12 -0.03 -0.08 -1.11 0.00 0.00 175.55 174.22 1a81 s THR 65 N -0.24 3.94 -0.69 -0.71 -1.32 -1.26 0.24 115.64 115.59 1a81 s THR 65 Ca 0.01 -0.35 -0.16 0.00 -1.21 0.00 0.00 61.69 59.98 1a81 s THR 65 Cb -0.11 -2.72 0.15 0.00 -1.51 0.00 0.00 72.50 68.32 1a81 s THR 65 CO 0.01 0.51 0.71 -0.63 -2.21 0.00 0.00 174.62 173.01 1a81 s ILE 66 N 0.22 5.19 0.40 5.08 1.01 0.15 -4.24 121.20 129.01 1a81 s ILE 66 Ca -0.02 -1.69 -0.24 0.00 0.00 0.00 0.00 60.65 58.70 1a81 s ILE 66 Cb -0.14 -4.47 -0.09 0.00 0.01 0.00 0.00 42.46 37.77 1a81 s ILE 66 CO 0.03 -1.06 1.03 -1.61 0.00 0.00 0.00 174.94 173.33 1a81 s GLU 67 N 1.54 4.18 -0.36 2.79 2.02 -0.99 -1.95 118.70 125.92 1a81 s GLU 67 Ca 0.13 1.45 -0.20 0.00 0.02 0.00 0.00 54.97 56.38 1a81 s GLU 67 Cb -0.19 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.54 1a81 s GLU 67 CO -0.01 -0.12 0.62 0.50 0.02 0.00 0.00 175.26 176.27 1a81 s ARG 68 N -2.57 3.63 0.36 1.61 6.06 -1.26 -1.27 118.95 125.50 1a81 s ARG 68 Ca 0.58 -0.02 -0.28 0.00 -2.50 0.00 0.00 55.73 53.51 1a81 s ARG 68 Cb -0.20 -3.83 -0.10 0.00 0.06 0.00 0.00 34.95 30.88 1a81 s ARG 68 CO 0.26 -0.76 1.33 -1.21 -2.50 0.00 0.00 175.30 172.42 1a81 s GLU 69 N 2.69 4.21 0.47 5.12 0.41 0.56 -4.86 118.70 127.30 1a81 s GLU 69 Ca 0.24 2.25 0.25 0.00 -0.41 0.00 0.00 54.97 57.30 1a81 s GLU 69 Cb -0.14 -2.97 1.30 0.00 -1.78 0.00 0.00 34.13 30.54 1a81 s GLU 69 CO 0.15 -0.32 1.84 -0.07 -0.49 0.00 0.00 175.26 176.37 1a81 h LEU 70 N 3.13 0.21 -2.63 1.80 4.07 -1.96 2.62 115.31 122.55 1a81 h LEU 70 Ca -0.49 0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.50 1a81 h LEU 70 Cb 1.23 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.97 1a81 h LEU 70 CO 0.64 0.06 0.07 0.78 -1.08 0.00 0.00 178.44 178.92 1a81 h ASN 71 N 0.20 0.00 0.00 -0.43 2.35 -2.03 -3.44 115.58 112.23 1a81 h ASN 71 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 1a81 h ASN 71 Cb 1.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.96 1a81 h ASN 71 CO -0.12 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.27 1a81 n GLY 72 N -1.20 0.85 3.94 2.83 0.00 0.88 -5.07 105.19 107.42 1a81 n GLY 72 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.06 5.11 0.09 2.61 -4.23 -1.11 -4.81 115.64 111.24 1a81 s THR 73 Ca 0.00 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 1a81 s THR 73 Cb 0.00 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 1a81 s THR 73 CO 0.00 -0.50 0.04 -0.31 -0.54 0.00 0.00 174.62 173.31 1a81 s TYR 74 N -2.25 3.07 -0.29 3.99 2.02 -0.55 0.21 117.35 123.54 1a81 s TYR 74 Ca 0.40 0.01 -0.17 0.00 -0.37 0.00 0.00 57.07 56.94 1a81 s TYR 74 Cb -0.10 -1.56 0.15 0.00 -0.40 0.00 0.00 41.96 40.06 1a81 s TYR 74 CO 0.35 0.50 1.04 0.00 -1.57 0.00 0.00 175.55 175.86 1a81 s ALA 75 N -1.38 -2.30 -0.05 3.71 0.00 -0.40 -0.59 121.76 120.76 1a81 s ALA 75 Ca 0.27 2.13 -0.30 0.00 0.00 0.00 0.00 51.96 54.06 1a81 s ALA 75 Cb -0.12 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 1a81 s ALA 75 CO 0.20 -0.32 1.34 0.42 0.00 0.00 0.00 175.76 177.39 1a81 s ILE 76 N 1.15 3.96 0.11 0.00 1.09 -1.26 -2.34 121.20 123.91 1a81 s ILE 76 Ca -0.07 1.28 -0.34 0.00 -1.10 0.00 0.00 60.65 60.42 1a81 s ILE 76 Cb -0.04 -3.83 -0.18 0.00 -1.06 0.00 0.00 42.46 37.36 1a81 s ILE 76 CO -0.13 -0.03 0.86 0.00 -0.10 0.00 0.00 174.94 175.53 1a81 n ALA 77 N 5.68 -2.94 0.00 9.38 0.00 -1.26 -2.00 120.51 129.38 1a81 n ALA 77 Ca 0.13 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1a81 n ALA 77 Cb 0.44 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 1.77 3.17 3.42 0.00 0.00 -1.26 -5.06 105.19 107.23 1a81 n GLY 78 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1a81 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a81 n GLY 79 N -1.47 3.20 3.46 -0.02 0.00 -0.85 -5.11 105.19 104.42 1a81 n GLY 79 Ca 0.00 -2.33 -0.34 0.00 0.00 0.00 0.00 46.02 43.36 1a81 n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a81 n ARG 80 N -1.42 -0.10 -4.04 1.61 0.63 -1.26 -4.79 116.66 107.30 1a81 n ARG 80 Ca -0.11 0.02 -0.35 0.00 -0.92 0.00 0.00 57.85 56.49 1a81 n ARG 80 Cb 0.58 -1.92 -0.11 0.00 0.45 0.00 0.00 32.46 31.46 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 -2.25 4.50 0.21 5.15 -4.23 -1.26 -4.58 115.64 113.17 1a81 s THR 81 Ca 0.61 -0.13 0.06 0.00 -1.18 0.00 0.00 61.69 61.04 1a81 s THR 81 Cb -0.25 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 1a81 s THR 81 CO 0.63 0.44 0.20 -1.00 -0.54 0.00 0.00 174.62 174.35 1a81 s HIS 82 N 0.65 3.20 0.25 3.99 0.09 0.25 -4.92 115.29 118.79 1a81 s HIS 82 Ca 0.02 -0.05 0.02 0.00 -0.00 0.00 0.00 55.06 55.06 1a81 s HIS 82 Cb -0.13 -1.48 0.29 0.00 -0.00 0.00 0.00 32.58 31.25 1a81 s HIS 82 CO 0.02 0.51 1.61 0.00 -0.00 0.00 0.00 174.74 176.88 1a81 h ALA 83 N 1.83 0.91 -2.54 -1.40 0.00 -1.95 -1.46 119.26 114.65 1a81 h ALA 83 Ca -0.49 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 53.85 1a81 h ALA 83 Cb 1.22 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.70 1a81 h ALA 83 CO 0.62 0.65 -0.19 -1.54 0.00 0.00 0.00 179.25 178.79 1a81 s SER 84 N -6.88 -0.36 0.59 0.00 1.04 -1.26 -4.57 113.70 102.26 1a81 s SER 84 Ca -0.06 0.51 0.29 0.00 0.48 0.00 0.00 55.95 57.17 1a81 s SER 84 Cb 0.12 0.59 1.59 0.00 0.10 0.00 0.00 66.02 68.42 1a81 s SER 84 CO 0.80 -0.33 2.01 1.55 0.98 0.00 0.00 173.24 178.25 1a81 h PRO 85 N 4.50 0.00 0.29 4.02 0.13 -1.95 0.44 132.00 139.43 1a81 h PRO 85 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1a81 h PRO 85 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1a81 h PRO 85 CO 0.32 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 177.91 1a81 h ALA 86 N 1.62 -1.02 -0.14 -0.56 0.00 -1.99 -0.57 119.26 116.60 1a81 h ALA 86 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1a81 h ALA 86 Cb 0.77 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1a81 h ALA 86 CO -0.00 -1.01 -0.51 -0.44 0.00 0.00 0.00 179.25 177.29 1a81 h ASP 87 N -0.45 -1.62 -0.72 0.00 3.32 -0.67 0.95 116.42 117.23 1a81 h ASP 87 Ca -0.04 0.19 0.17 0.00 0.02 0.00 0.00 57.03 57.37 1a81 h ASP 87 Cb 0.36 0.63 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 1a81 h ASP 87 CO 0.03 -0.45 -0.09 -0.11 -1.72 0.00 0.00 179.24 176.90 1a81 n LEU 88 N -5.23 -0.18 0.40 1.55 -0.00 0.39 -0.15 117.00 113.77 1a81 n LEU 88 Ca -0.06 1.23 -0.19 0.00 -0.00 0.00 0.00 56.01 56.99 1a81 n LEU 88 Cb 0.35 -0.41 -0.10 0.00 -0.00 0.00 0.00 43.42 43.27 1a81 n LEU 88 CO 0.07 -1.21 0.56 0.00 -0.00 0.00 0.00 177.39 176.81 1a81 h HIS 90 N -1.12 -1.37 -0.65 0.00 3.86 -0.17 0.40 115.15 116.10 1a81 h HIS 90 Ca -0.09 0.06 0.13 0.00 -1.16 0.00 0.00 60.37 59.31 1a81 h HIS 90 Cb 0.91 0.63 -0.10 0.00 1.06 0.00 0.00 27.41 29.92 1a81 h HIS 90 CO -0.12 -0.48 0.14 -0.92 0.86 0.00 0.00 177.93 177.41 1a81 h TYR 91 N -0.44 0.23 0.00 2.45 5.03 -0.98 0.76 116.97 124.02 1a81 h TYR 91 Ca 0.09 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1a81 h TYR 91 Cb 0.62 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.90 1a81 h TYR 91 CO -0.58 -0.05 0.00 0.72 -1.32 0.00 0.00 178.16 176.93 1a81 n HIS 92 N -5.14 0.00 0.78 -3.82 8.25 0.24 -0.74 115.22 114.79 1a81 n HIS 92 Ca 0.11 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.70 1a81 n HIS 92 Cb 0.37 -0.26 0.40 0.00 1.12 0.00 0.00 29.99 31.62 1a81 n HIS 92 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1a81 n SER 93 N -1.26 0.50 0.00 0.41 3.41 0.26 -2.24 113.62 114.70 1a81 n SER 93 Ca 0.13 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1a81 n SER 93 Cb 0.20 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1a81 n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a81 n GLN 94 N -1.89 1.95 -3.98 4.33 6.02 -0.86 -4.43 117.38 118.52 1a81 n GLN 94 Ca 0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.81 1a81 n GLN 94 Cb 0.39 -0.81 -0.17 0.00 1.02 0.00 0.00 30.24 30.67 1a81 n GLN 94 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1a81 s GLU 95 N -1.46 0.99 0.04 -1.09 2.56 0.09 -5.02 118.70 114.81 1a81 s GLU 95 Ca 0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 54.97 54.61 1a81 s GLU 95 Cb 0.00 -1.12 -0.15 0.00 2.00 0.00 0.00 34.13 34.85 1a81 s GLU 95 CO 0.00 -0.20 1.39 0.66 -0.56 0.00 0.00 175.26 176.54 1a81 h SER 96 N 7.85 -0.84 -6.14 -1.70 4.64 -1.86 -3.37 113.55 112.13 1a81 h SER 96 Ca -0.28 0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 60.88 1a81 h SER 96 Cb 1.14 0.22 0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1a81 h SER 96 CO 0.37 -0.59 -1.01 -0.67 -0.87 0.00 0.00 176.83 174.06 1a81 n ASP 97 N -4.70 -6.45 0.00 4.97 -0.08 -1.26 -2.68 116.55 106.34 1a81 n ASP 97 Ca -0.12 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1a81 n ASP 97 Cb 0.39 -2.68 0.00 0.00 2.34 0.00 0.00 41.12 41.17 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 0.23 1.30 3.68 0.27 0.00 -1.26 -4.97 105.19 104.44 1a81 n GLY 98 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 4.43 0.32 0.99 4.77 -1.09 -4.86 117.00 121.56 1a81 n LEU 99 Ca 0.00 0.93 0.19 0.00 -0.03 0.00 0.00 56.01 57.10 1a81 n LEU 99 Cb 0.00 -1.48 1.03 0.00 -2.33 0.00 0.00 43.42 40.64 1a81 n LEU 99 CO 0.00 -1.17 1.16 -0.37 -1.33 0.00 0.00 177.39 175.68 1a81 h VAL 100 N 1.11 0.09 -2.19 4.08 -1.51 -1.93 -3.45 116.25 112.45 1a81 h VAL 100 Ca -0.49 0.00 0.21 0.00 -1.23 0.00 0.00 66.70 65.19 1a81 h VAL 100 Cb 1.33 0.87 -0.08 0.00 -2.13 0.00 0.00 31.29 31.28 1a81 h VAL 100 CO 0.55 0.00 0.58 0.00 -1.23 0.00 0.00 177.57 177.47 1a81 s LEU 102 N -3.05 4.42 -1.11 0.00 1.98 -1.26 -4.84 118.68 114.82 1a81 s LEU 102 Ca 0.15 2.32 -0.21 0.00 -2.89 0.00 0.00 54.13 53.50 1a81 s LEU 102 Cb -0.00 -3.77 0.07 0.00 0.66 0.00 0.00 46.19 43.14 1a81 s LEU 102 CO 0.02 -0.35 1.52 -0.76 -1.89 0.00 0.00 176.35 174.89 1a81 s LEU 103 N -1.84 3.79 0.00 -0.68 1.43 -0.95 -4.46 118.68 115.97 1a81 s LEU 103 Ca 0.49 -1.88 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 1a81 s LEU 103 Cb -0.32 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1a81 s LEU 103 CO 0.41 -1.34 0.15 0.29 0.23 0.00 0.00 176.35 176.09 1a81 n LYS 104 N 8.42 0.00 -3.68 1.70 4.76 -0.97 -4.51 118.16 123.87 1a81 n LYS 104 Ca 0.37 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.46 1a81 n LYS 104 Cb 0.49 -0.55 -0.08 0.00 -1.84 0.00 0.00 35.03 33.05 1a81 n LYS 104 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1a81 s LYS 105 N -0.30 4.20 0.69 1.97 2.20 -1.08 -5.01 119.74 122.41 1a81 s LYS 105 Ca 0.00 -0.15 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 1a81 s LYS 105 Cb 0.00 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 1a81 s LYS 105 CO 0.00 0.28 1.09 -1.25 -0.36 0.00 0.00 175.35 175.10 1a81 s PRO 106 N 0.41 2.96 -0.38 4.03 0.04 -1.26 -1.06 135.00 139.74 1a81 s PRO 106 Ca 0.10 0.51 -0.00 0.00 0.04 0.00 0.00 61.00 61.65 1a81 s PRO 106 Cb -0.12 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.50 1a81 s PRO 106 CO -0.01 -0.97 0.14 0.12 0.04 0.00 0.00 177.00 176.32 1a81 s PHE 107 N -3.33 3.66 0.72 0.56 2.19 0.93 -4.67 117.98 118.04 1a81 s PHE 107 Ca 0.58 -2.65 -0.13 0.00 0.33 0.00 0.00 56.93 55.06 1a81 s PHE 107 Cb -0.11 -3.08 0.03 0.00 -1.31 0.00 0.00 43.02 38.55 1a81 s PHE 107 CO 0.52 -0.96 1.12 -0.80 1.83 0.00 0.00 175.22 176.93 1a81 s ASN 108 N 1.44 4.68 -0.34 6.13 -0.87 -1.26 -4.40 114.94 120.31 1a81 s ASN 108 Ca 0.09 2.01 -0.28 0.00 -1.57 0.00 0.00 52.86 53.11 1a81 s ASN 108 Cb -0.21 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.43 1a81 s ASN 108 CO -0.06 -1.92 2.07 -0.60 -2.57 0.00 0.00 177.10 174.02 1a81 s ARG 109 N -4.34 2.99 0.66 -0.60 3.52 0.98 -4.90 118.95 117.27 1a81 s ARG 109 Ca 0.66 1.58 -0.15 0.00 -0.13 0.00 0.00 55.73 57.70 1a81 s ARG 109 Cb -0.21 -4.35 -0.13 0.00 -1.56 0.00 0.00 34.95 28.71 1a81 s ARG 109 CO 0.47 -2.27 -0.43 -2.30 -0.81 0.00 0.00 175.30 169.96 1a81 n PRO 110 N 8.73 0.00 -1.64 5.12 -0.02 -1.26 -4.71 135.00 141.21 1a81 n PRO 110 Ca 0.28 0.00 -0.51 0.00 -2.02 0.00 0.00 63.50 61.24 1a81 n PRO 110 Cb 0.48 -0.85 -0.06 0.00 -0.02 0.00 0.00 33.50 33.05 1a81 n PRO 110 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1a81 n GLN 111 N 1.76 1.51 0.00 -0.52 0.00 -1.26 -2.42 117.38 116.45 1a81 n GLN 111 Ca 0.02 0.55 0.00 0.00 -0.00 0.00 0.00 57.00 57.57 1a81 n GLN 111 Cb 0.44 -2.25 0.00 0.00 0.00 0.00 0.00 30.24 28.43 1a81 n GLN 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a81 n GLY 112 N 3.27 2.06 2.56 1.69 0.00 -1.26 -4.99 105.19 108.53 1a81 n GLY 112 Ca 0.20 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 1.10 -4.70 1.61 0.31 -1.01 -4.98 118.33 110.66 1a81 n VAL 113 Ca 0.00 -0.28 -0.31 0.00 -0.01 0.00 0.00 64.34 63.75 1a81 n VAL 113 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 -0.55 2.11 -0.06 5.55 -1.52 -1.26 -4.76 119.66 119.17 1a81 s GLN 114 Ca 0.53 -2.31 -0.30 0.00 -1.95 0.00 0.00 55.36 51.33 1a81 s GLN 114 Cb -0.76 -1.42 -0.04 0.00 -0.22 0.00 0.00 33.01 30.57 1a81 s GLN 114 CO 0.42 -0.32 1.32 -2.14 -0.25 0.00 0.00 175.29 174.33 1a81 s PRO 115 N -3.83 4.29 1.20 2.91 0.02 -1.26 -4.72 135.00 133.61 1a81 s PRO 115 Ca 0.14 1.82 -0.15 0.00 0.02 0.00 0.00 61.00 62.82 1a81 s PRO 115 Cb 0.03 -3.64 0.29 0.00 0.02 0.00 0.00 34.50 31.21 1a81 s PRO 115 CO 0.07 -0.58 1.02 0.15 -0.33 0.00 0.00 177.00 177.34 1a81 s LYS 116 N 2.68 -1.22 0.09 5.54 1.02 -1.26 -4.60 119.74 121.99 1a81 s LYS 116 Ca 0.60 0.51 -0.03 0.00 0.02 0.00 0.00 55.97 57.07 1a81 s LYS 116 Cb -0.27 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.46 1a81 s LYS 116 CO 0.23 -3.84 0.06 0.99 -0.92 0.00 0.00 175.35 171.87 1a81 s THR 117 N -2.57 0.16 -0.08 2.17 2.01 -1.26 -2.93 115.64 113.13 1a81 s THR 117 Ca 0.68 -1.70 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 1a81 s THR 117 Cb -0.20 -1.68 -0.06 0.00 0.01 0.00 0.00 72.50 70.57 1a81 s THR 117 CO 0.61 -0.71 0.32 1.55 -0.69 0.00 0.00 174.62 175.70 1a81 h PRO 152 N 2.94 -0.16 0.00 4.92 0.13 -2.08 -3.47 132.00 134.28 1a81 h PRO 152 Ca -0.34 0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.52 1a81 h PRO 152 Cb 1.18 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1a81 h PRO 152 CO 0.61 0.01 -2.04 0.94 -0.23 0.00 0.00 178.00 177.29 1a81 n GLN 153 N -4.88 1.48 -0.22 0.86 7.27 -1.26 -4.58 117.38 116.06 1a81 n GLN 153 Ca -0.03 -0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.06 1a81 n GLN 153 Cb 0.13 -1.39 0.13 0.00 2.41 0.00 0.00 30.24 31.52 1a81 n GLN 153 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1a81 h LEU 154 N 0.00 -0.03 -1.09 1.69 3.38 -2.06 0.24 115.31 117.44 1a81 h LEU 154 Ca -0.41 0.13 0.19 0.00 0.09 0.00 0.00 57.88 57.88 1a81 h LEU 154 Cb 1.91 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 42.75 1a81 h LEU 154 CO 0.02 -0.02 0.61 -0.33 0.09 0.00 0.00 178.44 178.81 1a81 h GLU 155 N 0.24 0.70 -0.65 1.13 3.07 -2.01 0.15 114.58 117.22 1a81 h GLU 155 Ca 0.35 -0.04 0.09 0.00 -0.50 0.00 0.00 59.36 59.26 1a81 h GLU 155 Cb 0.55 -0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 28.23 1a81 h GLU 155 CO -0.45 0.46 0.28 -0.22 -1.40 0.00 0.00 179.01 177.68 1a81 h LYS 156 N 0.72 0.47 0.00 2.33 1.63 -0.78 -3.10 116.57 117.84 1a81 h LYS 156 Ca 0.56 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.33 1a81 h LYS 156 Cb 0.93 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1a81 h LYS 156 CO -0.34 0.31 0.00 1.28 -3.45 0.00 0.00 179.45 177.25 1a81 n LEU 157 N -4.94 1.13 -0.02 5.20 7.99 0.46 -2.79 117.00 124.04 1a81 n LEU 157 Ca 0.10 0.38 -0.01 0.00 -0.01 0.00 0.00 56.01 56.47 1a81 n LEU 157 Cb 0.27 -0.14 -0.01 0.00 -0.11 0.00 0.00 43.42 43.44 1a81 n LEU 157 CO 0.23 -0.14 0.03 -0.38 -1.51 0.00 0.00 177.39 175.62 1a81 n ILE 158 N -0.93 -0.04 0.44 -0.08 -0.00 -0.74 0.57 119.36 118.58 1a81 n ILE 158 Ca 0.00 0.14 -0.20 0.00 -0.00 0.00 0.00 62.75 62.70 1a81 n ILE 158 Cb 0.00 -0.18 -0.10 0.00 -0.00 0.00 0.00 39.64 39.36 1a81 n ILE 158 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a81 h ALA 159 N 0.02 -1.25 -0.98 -1.39 0.00 -1.68 -2.71 119.26 111.27 1a81 h ALA 159 Ca 0.01 -0.25 0.41 0.00 0.00 0.00 0.00 54.91 55.08 1a81 h ALA 159 Cb 0.02 0.59 -0.18 0.00 0.00 0.00 0.00 17.79 18.22 1a81 h ALA 159 CO -0.05 -1.22 0.53 0.25 0.00 0.00 0.00 179.25 178.76 1a81 n THR 160 N -5.62 -0.41 -3.84 0.00 -2.24 0.19 -2.08 114.28 100.28 1a81 n THR 160 Ca -0.15 2.00 -0.29 0.00 -2.27 0.00 0.00 64.05 63.34 1a81 n THR 160 Cb 0.50 -3.25 -0.13 0.00 -2.10 0.00 0.00 70.33 65.35 1a81 n THR 160 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a81 s THR 161 N -5.50 2.34 0.00 4.28 -4.23 -0.79 -4.58 115.64 107.16 1a81 s THR 161 Ca -0.09 -3.57 0.00 0.00 -1.18 0.00 0.00 61.69 56.85 1a81 s THR 161 Cb 0.33 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1a81 s THR 161 CO 0.77 -0.94 0.00 0.00 -0.54 0.00 0.00 174.62 173.90 1a81 n ALA 162 N 2.65 1.95 0.15 3.99 0.00 -0.88 -4.62 120.51 123.75 1a81 n ALA 162 Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.76 1a81 n ALA 162 Cb 0.35 0.31 0.78 0.00 0.00 0.00 0.00 19.45 20.89 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 0.00 -1.05 0.00 2.07 -1.84 -2.50 115.15 111.83 1a81 h HIS 163 Ca 0.00 0.00 0.31 0.00 -2.85 0.00 0.00 60.37 57.83 1a81 h HIS 163 Cb 0.66 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 30.51 1a81 h HIS 163 CO 0.00 0.00 0.63 0.93 -3.07 0.00 0.00 177.93 176.42 1a81 h GLU 164 N 0.00 0.35 -0.02 5.12 4.39 -1.92 -0.07 114.58 122.43 1a81 h GLU 164 Ca 0.13 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1a81 h GLU 164 Cb 0.66 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1a81 h GLU 164 CO -0.00 0.23 -0.24 1.17 -1.16 0.00 0.00 179.01 179.01 1a81 n LYS 165 N -4.90 1.77 -3.15 2.33 4.81 -0.94 -4.96 118.16 113.12 1a81 n LYS 165 Ca 0.30 -1.47 -0.39 0.00 -0.87 0.00 0.00 58.31 55.88 1a81 n LYS 165 Cb 0.97 -1.47 -0.05 0.00 0.02 0.00 0.00 35.03 34.49 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 -2.24 4.33 0.17 1.64 1.00 -0.04 -5.00 119.30 119.16 1a81 s MET 166 Ca 0.23 0.67 -0.02 0.00 0.00 0.00 0.00 55.69 56.57 1a81 s MET 166 Cb 0.19 -3.49 0.35 0.00 0.00 0.00 0.00 34.83 31.88 1a81 s MET 166 CO 0.44 -0.02 0.93 -2.30 0.00 0.00 0.00 175.02 174.07 1a81 n PRO 167 N 4.21 -0.05 0.18 2.03 -0.01 -1.26 -0.72 135.00 139.38 1a81 n PRO 167 Ca -0.03 0.91 0.13 0.00 -0.01 0.00 0.00 63.50 64.51 1a81 n PRO 167 Cb 0.51 -1.40 0.61 0.00 -0.01 0.00 0.00 33.50 33.21 1a81 n PRO 167 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 175.50 175.60 1a81 h TRP 168 N 0.00 0.00 -3.52 6.00 5.08 -1.85 -3.41 115.95 118.25 1a81 h TRP 168 Ca 0.32 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.63 1a81 h TRP 168 Cb 0.56 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.57 1a81 h TRP 168 CO -0.39 0.00 0.11 0.12 -1.28 0.00 0.00 178.44 177.00 1a81 s PHE 169 N -3.51 3.06 -0.89 0.12 5.36 0.10 0.13 117.98 122.35 1a81 s PHE 169 Ca 0.01 -0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 55.79 1a81 s PHE 169 Cb 0.08 -3.38 0.22 0.00 -0.34 0.00 0.00 43.02 39.61 1a81 s PHE 169 CO 0.34 -0.90 0.79 -1.01 -1.46 0.00 0.00 175.22 172.97 1a81 s HIS 170 N 2.80 3.89 0.00 10.12 3.76 -0.76 -4.85 115.29 130.25 1a81 s HIS 170 Ca 0.21 -2.89 0.00 0.00 -0.15 0.00 0.00 55.06 52.23 1a81 s HIS 170 Cb -0.15 -3.36 0.00 0.00 1.11 0.00 0.00 32.58 30.18 1a81 s HIS 170 CO 0.18 -0.79 0.00 0.41 -0.85 0.00 0.00 174.74 173.68 1a81 n GLY 171 N 2.60 0.00 3.70 -2.22 0.00 -1.26 -4.26 105.19 103.74 1a81 n GLY 171 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 4.48 -0.04 1.61 2.36 -1.26 -2.65 119.74 124.24 1a81 s LYS 172 Ca 0.00 1.42 -0.21 0.00 -2.55 0.00 0.00 55.97 54.63 1a81 s LYS 172 Cb 0.00 -3.50 0.04 0.00 -1.05 0.00 0.00 37.83 33.32 1a81 s LYS 172 CO 0.00 -0.20 0.47 0.42 1.55 0.00 0.00 175.35 177.60 1a81 s ILE 173 N 1.54 0.03 0.86 5.43 1.01 -1.25 -4.97 121.20 123.85 1a81 s ILE 173 Ca 0.50 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.80 1a81 s ILE 173 Cb -0.20 -0.77 0.11 0.00 0.01 0.00 0.00 42.46 41.61 1a81 s ILE 173 CO 0.23 -0.13 1.10 -0.94 0.00 0.00 0.00 174.94 175.20 1a81 s SER 174 N -1.12 3.67 0.47 3.58 1.04 -1.26 -4.82 113.70 115.25 1a81 s SER 174 Ca -0.11 1.82 0.19 0.00 0.48 0.00 0.00 55.95 58.33 1a81 s SER 174 Cb -0.03 -2.44 1.16 0.00 0.10 0.00 0.00 66.02 64.81 1a81 s SER 174 CO 0.06 -2.56 2.01 -0.09 0.98 0.00 0.00 173.24 173.64 1a81 h ARG 175 N -1.50 0.00 0.07 4.02 2.43 -2.00 -2.79 114.38 114.62 1a81 h ARG 175 Ca -0.46 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.38 1a81 h ARG 175 Cb 1.26 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1a81 h ARG 175 CO 0.50 0.17 -1.81 0.39 -1.51 0.00 0.00 179.97 177.70 1a81 n GLU 176 N -4.06 0.68 -0.54 0.20 4.71 -1.26 -2.75 120.64 117.63 1a81 n GLU 176 Ca -0.02 0.36 0.44 0.00 -0.01 0.00 0.00 57.16 57.92 1a81 n GLU 176 Cb 0.25 -1.70 0.73 0.00 -1.01 0.00 0.00 31.44 29.71 1a81 n GLU 176 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1a81 h GLU 177 N -0.32 0.03 0.00 3.49 4.81 -1.90 -1.94 114.58 118.74 1a81 h GLU 177 Ca -0.42 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1a81 h GLU 177 Cb 1.78 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.15 1a81 h GLU 177 CO -0.04 0.02 0.00 -1.13 -0.73 0.00 0.00 179.01 177.13 1a81 n SER 178 N -4.40 0.00 -0.09 1.04 3.41 -1.06 -2.09 113.62 110.43 1a81 n SER 178 Ca 0.40 0.41 -0.02 0.00 -0.26 0.00 0.00 58.87 59.40 1a81 n SER 178 Cb 1.68 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 65.25 1a81 n SER 178 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a81 n GLU 179 N -1.56 -0.10 0.00 4.33 1.02 -0.83 0.39 120.64 123.89 1a81 n GLU 179 Ca 0.00 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1a81 n GLU 179 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1a81 n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a81 n GLN 180 N -3.43 0.00 -0.36 3.49 10.64 -0.79 0.15 117.38 127.07 1a81 n GLN 180 Ca 0.00 0.66 0.31 0.00 -1.83 0.00 0.00 57.00 56.15 1a81 n GLN 180 Cb 0.06 -1.47 0.48 0.00 -0.86 0.00 0.00 30.24 28.45 1a81 n GLN 180 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 1a81 n ILE 181 N -2.28 0.00 -0.05 -0.39 0.00 0.13 0.82 119.36 117.59 1a81 n ILE 181 Ca 0.00 1.07 -0.07 0.00 0.00 0.00 0.00 62.75 63.75 1a81 n ILE 181 Cb 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 39.64 37.65 1a81 n ILE 181 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1a81 n VAL 182 N -3.14 1.39 0.80 9.51 0.31 0.16 -4.00 118.33 123.36 1a81 n VAL 182 Ca 0.26 -0.79 0.11 0.00 -0.01 0.00 0.00 64.34 63.91 1a81 n VAL 182 Cb 1.38 -0.71 0.49 0.00 -0.91 0.00 0.00 33.84 34.09 1a81 n VAL 182 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1a81 n LEU 183 N -2.87 0.00 -4.83 7.52 7.99 0.24 -4.76 117.00 120.30 1a81 n LEU 183 Ca -0.22 0.49 -0.33 0.00 -0.01 0.00 0.00 56.01 55.94 1a81 n LEU 183 Cb 1.05 -0.49 -0.07 0.00 -0.11 0.00 0.00 43.42 43.80 1a81 n LEU 183 CO 0.44 -0.10 0.55 -0.63 -1.51 0.00 0.00 177.39 176.14 1a81 s ILE 184 N -2.99 4.49 0.00 -0.08 -1.09 -0.85 -4.88 121.20 115.81 1a81 s ILE 184 Ca 0.11 1.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 1a81 s ILE 184 Cb 0.15 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1a81 s ILE 184 CO 0.42 -0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.55 1a81 n GLY 185 N -0.32 0.28 3.64 6.18 0.00 -1.26 -4.81 105.19 108.91 1a81 n GLY 185 Ca 0.05 -0.90 -0.64 0.00 0.00 0.00 0.00 46.02 44.53 1a81 n GLY 185 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a81 n SER 186 N -1.73 1.40 -2.25 1.61 7.64 -1.26 -4.86 113.62 114.17 1a81 n SER 186 Ca 0.00 1.05 -0.32 0.00 1.01 0.00 0.00 58.87 60.61 1a81 n SER 186 Cb 0.00 -0.95 0.08 0.00 -1.01 0.00 0.00 64.21 62.33 1a81 n SER 186 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1a81 n LYS 187 N 5.06 2.76 -1.88 1.43 -0.00 -1.26 -4.97 118.16 119.29 1a81 n LYS 187 Ca 0.35 -3.38 -0.40 0.00 -0.00 0.00 0.00 58.31 54.87 1a81 n LYS 187 Cb -0.01 -2.27 0.01 0.00 -0.00 0.00 0.00 35.03 32.76 1a81 n LYS 187 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1a81 s THR 188 N -4.64 2.24 0.23 0.58 -4.23 -1.26 -4.90 115.64 103.65 1a81 s THR 188 Ca 0.62 0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 61.05 1a81 s THR 188 Cb 0.49 -3.13 -0.09 0.00 1.34 0.00 0.00 72.50 71.11 1a81 s THR 188 CO 0.01 0.04 1.27 0.20 -0.54 0.00 0.00 174.62 175.59 1a81 s ASN 189 N -0.51 6.95 0.00 3.99 0.01 -1.26 -3.13 114.94 120.99 1a81 s ASN 189 Ca 0.58 2.41 0.00 0.00 -0.71 0.00 0.00 52.86 55.13 1a81 s ASN 189 Cb -0.42 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.62 1a81 s ASN 189 CO 0.55 -0.46 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 1a81 n GLY 190 N 1.96 0.64 3.76 0.66 0.00 0.13 -4.72 105.19 107.62 1a81 n GLY 190 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.27 4.26 0.28 1.61 2.20 -1.18 -1.40 119.74 125.24 1a81 s LYS 191 Ca 0.00 2.34 -0.03 0.00 -0.36 0.00 0.00 55.97 57.93 1a81 s LYS 191 Cb 0.00 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1a81 s LYS 191 CO 0.00 -0.36 0.34 -0.59 -0.36 0.00 0.00 175.35 174.38 1a81 s PHE 192 N -0.69 1.06 -0.01 4.03 -0.71 -0.67 -0.72 117.98 120.26 1a81 s PHE 192 Ca 0.54 -1.26 -0.29 0.00 -1.04 0.00 0.00 56.93 54.88 1a81 s PHE 192 Cb -0.42 -0.27 0.10 0.00 -1.21 0.00 0.00 43.02 41.22 1a81 s PHE 192 CO 0.52 -0.92 0.96 -0.48 -1.34 0.00 0.00 175.22 173.95 1a81 s LEU 193 N -3.19 -0.30 -0.04 -1.99 2.34 0.02 -0.06 118.68 115.46 1a81 s LEU 193 Ca 0.33 -0.07 0.01 0.00 0.06 0.00 0.00 54.13 54.47 1a81 s LEU 193 Cb 0.02 1.94 0.02 0.00 -0.56 0.00 0.00 46.19 47.61 1a81 s LEU 193 CO 0.17 -0.60 -0.05 0.27 -1.06 0.00 0.00 176.35 175.07 1a81 s ILE 194 N -3.03 0.58 0.19 1.48 -4.36 0.34 -1.22 121.20 115.19 1a81 s ILE 194 Ca 0.07 -0.15 0.11 0.00 -0.26 0.00 0.00 60.65 60.42 1a81 s ILE 194 Cb -0.01 -0.59 -0.04 0.00 1.25 0.00 0.00 42.46 43.06 1a81 s ILE 194 CO -0.07 0.23 -0.23 0.00 0.24 0.00 0.00 174.94 175.12 1a81 s ARG 195 N 0.86 1.57 0.51 0.37 1.70 -0.92 -1.83 118.95 121.22 1a81 s ARG 195 Ca -0.12 -1.51 -0.10 0.00 -0.47 0.00 0.00 55.73 53.54 1a81 s ARG 195 Cb -0.15 -1.88 -0.05 0.00 -0.57 0.00 0.00 34.95 32.31 1a81 s ARG 195 CO 0.01 0.40 0.89 0.00 -1.08 0.00 0.00 175.30 175.52 1a81 s ALA 196 N -1.69 3.25 0.28 7.88 0.00 -1.08 0.72 121.76 131.12 1a81 s ALA 196 Ca 0.21 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.99 1a81 s ALA 196 Cb -0.08 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1a81 s ALA 196 CO 0.10 -0.36 0.16 0.54 0.00 0.00 0.00 175.76 176.21 1a81 n ARG 197 N -2.09 1.13 -0.39 0.00 1.74 -0.41 -3.88 116.66 112.76 1a81 n ARG 197 Ca 0.04 -1.84 0.34 0.00 -0.77 0.00 0.00 57.85 55.61 1a81 n ARG 197 Cb 0.54 0.27 0.61 0.00 -1.02 0.00 0.00 32.46 32.86 1a81 n ARG 197 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1a81 h ASP 198 N 0.42 0.31 0.00 0.55 3.32 -1.99 -3.43 116.42 115.60 1a81 h ASP 198 Ca -0.19 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1a81 h ASP 198 Cb 0.67 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1a81 h ASP 198 CO 0.31 -0.26 0.00 -3.20 -1.72 0.00 0.00 179.24 174.37 1a81 n ASN 199 N -4.92 0.00 -0.67 6.45 5.15 -1.26 -4.98 115.26 115.02 1a81 n ASN 199 Ca 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 1a81 n ASN 199 Cb 1.33 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 40.58 1a81 n ASN 199 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1a81 n ASN 200 N 0.00 0.07 0.00 1.20 4.13 -1.26 -4.78 115.26 114.62 1a81 n ASN 200 Ca 0.00 -1.73 0.00 0.00 1.68 0.00 0.00 54.58 54.53 1a81 n ASN 200 Cb 0.00 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 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 0.07 0.00 3.47 7.41 0.00 -1.26 -5.03 105.19 109.85 1a81 n GLY 201 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.71 4.86 0.36 1.61 0.15 -1.26 -2.16 113.70 113.54 1a81 s SER 202 Ca 0.00 -0.17 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1a81 s SER 202 Cb 0.00 -1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 1a81 s SER 202 CO 0.00 0.10 0.13 -1.22 1.20 0.00 0.00 173.24 173.45 1a81 n TYR 203 N 3.99 0.14 -3.89 3.44 4.02 -1.04 -1.29 117.16 122.54 1a81 n TYR 203 Ca -0.17 -2.31 -0.09 0.00 -0.01 0.00 0.00 57.90 55.31 1a81 n TYR 203 Cb 0.52 -0.01 -0.09 0.00 -0.02 0.00 0.00 39.34 39.74 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 -2.97 -0.16 -0.19 -0.72 0.00 0.22 -1.27 121.76 116.67 1a81 s ALA 204 Ca 0.18 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 1a81 s ALA 204 Cb 0.01 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1a81 s ALA 204 CO 0.13 -0.38 -0.10 -1.17 0.00 0.00 0.00 175.76 174.24 1a81 s LEU 205 N -2.36 2.71 -0.08 0.00 0.20 0.65 -2.16 118.68 117.63 1a81 s LEU 205 Ca -0.02 -0.42 0.03 0.00 0.69 0.00 0.00 54.13 54.42 1a81 s LEU 205 Cb 0.01 -1.66 0.01 0.00 -0.43 0.00 0.00 46.19 44.12 1a81 s LEU 205 CO -0.06 0.04 -0.19 0.00 -0.29 0.00 0.00 176.35 175.85 1a81 s LEU 207 N 0.48 0.92 -0.13 0.00 2.34 -0.04 -0.80 118.68 121.44 1a81 s LEU 207 Ca -0.17 -0.37 -0.14 0.00 0.06 0.00 0.00 54.13 53.51 1a81 s LEU 207 Cb -0.17 1.39 -0.05 0.00 -0.56 0.00 0.00 46.19 46.80 1a81 s LEU 207 CO 0.07 -0.72 0.32 -0.22 -1.06 0.00 0.00 176.35 174.74 1a81 s LEU 208 N -2.53 4.29 -0.24 1.48 2.96 0.10 -0.24 118.68 124.50 1a81 s LEU 208 Ca 0.00 0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 54.49 1a81 s LEU 208 Cb 0.02 -2.42 0.09 0.00 0.50 0.00 0.00 46.19 44.38 1a81 s LEU 208 CO -0.08 0.15 0.16 -2.28 -1.32 0.00 0.00 176.35 172.98 1a81 s HIS 209 N 0.13 0.05 -1.18 5.38 5.65 0.96 0.21 115.29 126.49 1a81 s HIS 209 Ca 0.19 -0.41 -0.05 0.00 0.25 0.00 0.00 55.06 55.03 1a81 s HIS 209 Cb -0.14 -0.68 -0.02 0.00 -1.18 0.00 0.00 32.58 30.57 1a81 s HIS 209 CO 0.06 -0.72 0.84 0.39 -0.65 0.00 0.00 174.74 174.66 1a81 n GLU 210 N 5.28 -3.84 0.00 2.88 -0.58 -1.26 -2.11 120.64 121.01 1a81 n GLU 210 Ca -0.06 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1a81 n GLU 210 Cb 0.46 -5.32 0.00 0.00 -0.57 0.00 0.00 31.44 26.01 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 -1.41 2.08 3.88 0.62 0.00 -1.26 -4.97 105.19 104.14 1a81 n GLY 211 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 3.77 -0.16 1.61 2.20 -0.90 -5.07 119.74 121.20 1a81 s LYS 212 Ca 0.00 0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.74 1a81 s LYS 212 Cb 0.00 -2.68 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1a81 s LYS 212 CO 0.00 0.34 0.13 0.08 -0.36 0.00 0.00 175.35 175.55 1a81 s VAL 213 N -1.79 5.43 -0.10 4.02 1.01 -1.26 -0.03 120.40 127.68 1a81 s VAL 213 Ca 0.46 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1a81 s VAL 213 Cb -0.11 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1a81 s VAL 213 CO 0.22 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 174.90 1a81 s LEU 214 N -0.38 2.38 -0.18 3.92 1.43 0.67 -4.93 118.68 121.59 1a81 s LEU 214 Ca 0.12 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1a81 s LEU 214 Cb -0.12 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1a81 s LEU 214 CO 0.01 0.19 0.05 -1.00 0.23 0.00 0.00 176.35 175.83 1a81 s HIS 215 N 0.21 3.21 -0.16 0.29 3.76 -1.25 -0.86 115.29 120.48 1a81 s HIS 215 Ca -0.12 -0.01 0.01 0.00 -0.15 0.00 0.00 55.06 54.79 1a81 s HIS 215 Cb -0.16 -2.07 0.02 0.00 1.11 0.00 0.00 32.58 31.47 1a81 s HIS 215 CO 0.06 0.09 -0.17 0.71 -0.85 0.00 0.00 174.74 174.58 1a81 s TYR 216 N 0.46 2.47 0.22 1.40 2.02 0.24 -4.94 117.35 119.21 1a81 s TYR 216 Ca 0.02 -1.41 -0.30 0.00 -0.37 0.00 0.00 57.07 55.01 1a81 s TYR 216 Cb -0.13 -1.75 -0.10 0.00 -0.40 0.00 0.00 41.96 39.58 1a81 s TYR 216 CO 0.01 -0.72 1.44 0.50 -1.57 0.00 0.00 175.55 175.21 1a81 s ARG 217 N 1.33 4.27 0.05 -0.62 3.52 -1.26 -0.25 118.95 125.99 1a81 s ARG 217 Ca 0.04 2.27 0.08 0.00 -0.13 0.00 0.00 55.73 57.99 1a81 s ARG 217 Cb -0.13 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1a81 s ARG 217 CO -0.11 -0.44 -0.23 0.42 -0.81 0.00 0.00 175.30 174.13 1a81 s ILE 218 N 0.29 1.88 0.08 4.11 1.01 -0.40 -3.88 121.20 124.29 1a81 s ILE 218 Ca 0.61 -1.32 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 1a81 s ILE 218 Cb -0.41 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1a81 s ILE 218 CO 0.40 0.25 0.30 1.51 0.00 0.00 0.00 174.94 177.40 1a81 s ASP 219 N -1.28 -0.09 -0.45 3.58 1.47 -1.24 -2.48 116.67 116.18 1a81 s ASP 219 Ca 0.09 -0.36 -0.09 0.00 1.18 0.00 0.00 52.55 53.38 1a81 s ASP 219 Cb -0.09 0.39 0.11 0.00 -0.34 0.00 0.00 42.92 42.98 1a81 s ASP 219 CO 0.02 -0.72 0.31 -0.75 0.68 0.00 0.00 175.17 174.71 1a81 s LYS 220 N -3.29 2.46 1.16 2.11 2.20 -0.92 -1.46 119.74 122.00 1a81 s LYS 220 Ca 0.00 -1.69 -0.17 0.00 -0.36 0.00 0.00 55.97 53.75 1a81 s LYS 220 Cb 0.02 -3.85 0.26 0.00 -1.51 0.00 0.00 37.83 32.75 1a81 s LYS 220 CO -0.08 -1.12 1.08 0.16 -0.36 0.00 0.00 175.35 175.03 1a81 s ASP 221 N 2.45 1.25 0.15 1.43 1.47 -1.08 -4.72 116.67 117.62 1a81 s ASP 221 Ca 0.05 0.87 -0.06 0.00 1.18 0.00 0.00 52.55 54.59 1a81 s ASP 221 Cb -0.25 -1.29 0.23 0.00 -0.34 0.00 0.00 42.92 41.26 1a81 s ASP 221 CO -0.00 -3.94 0.89 2.29 0.68 0.00 0.00 175.17 175.08 1a81 n LYS 222 N -4.67 -0.07 0.00 2.11 -0.00 -1.26 0.24 118.16 114.50 1a81 n LYS 222 Ca 0.10 0.88 0.09 0.00 -0.00 0.00 0.00 58.31 59.38 1a81 n LYS 222 Cb 0.59 -1.32 0.46 0.00 -0.00 0.00 0.00 35.03 34.75 1a81 n LYS 222 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1a81 n THR 223 N -4.90 0.50 -1.69 0.58 -1.04 -1.26 -4.84 114.28 101.63 1a81 n THR 223 Ca 0.08 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1a81 n THR 223 Cb 0.27 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 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 0.33 0.45 3.32 3.41 0.00 0.14 -5.02 105.19 107.82 1a81 n GLY 224 Ca 0.08 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.42 2.81 0.47 1.61 3.01 -1.25 -4.84 119.74 118.14 1a81 s LYS 225 Ca 0.00 -1.06 -0.20 0.00 -1.01 0.00 0.00 55.97 53.70 1a81 s LYS 225 Cb 0.00 -3.51 -0.09 0.00 -1.01 0.00 0.00 37.83 33.21 1a81 s LYS 225 CO 0.00 -0.61 1.00 -0.51 0.51 0.00 0.00 175.35 175.74 1a81 s LEU 226 N 1.47 3.86 0.00 3.17 1.02 -0.82 -2.63 118.68 124.75 1a81 s LEU 226 Ca 0.01 1.82 0.00 0.00 0.02 0.00 0.00 54.13 55.98 1a81 s LEU 226 Cb -0.19 -4.55 0.00 0.00 0.02 0.00 0.00 46.19 41.47 1a81 s LEU 226 CO 0.04 -0.63 0.00 -1.54 0.02 0.00 0.00 176.35 174.23 1a81 n SER 227 N -0.91 0.00 -4.65 2.29 3.41 -0.53 -1.49 113.62 111.74 1a81 n SER 227 Ca 0.08 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.31 1a81 n SER 227 Cb 0.53 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.53 1a81 n SER 227 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1a81 n ILE 228 N -0.02 3.81 -1.61 -1.33 5.41 -1.26 -3.70 119.36 120.66 1a81 n ILE 228 Ca 0.00 -0.50 -0.51 0.00 1.00 0.00 0.00 62.75 62.74 1a81 n ILE 228 Cb 0.00 -1.28 -0.06 0.00 -0.71 0.00 0.00 39.64 37.59 1a81 n ILE 228 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1a81 n PRO 229 N -1.05 1.35 -1.40 0.38 -0.02 -1.25 -0.15 135.00 132.86 1a81 n PRO 229 Ca 0.13 0.49 -0.14 0.00 -2.02 0.00 0.00 63.50 61.96 1a81 n PRO 229 Cb 0.46 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.88 -1.16 -4.65 -0.52 -0.58 -1.26 -4.98 120.64 110.37 1a81 n GLU 230 Ca 0.19 0.96 -0.29 0.00 -0.42 0.00 0.00 57.16 57.60 1a81 n GLU 230 Cb 0.21 -5.13 -0.10 0.00 -0.57 0.00 0.00 31.44 25.85 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 -2.72 2.64 1.00 0.62 0.00 0.78 -5.10 107.32 104.55 1a81 s GLY 231 Ca 0.00 -1.81 -0.19 0.00 0.00 0.00 0.00 44.72 42.71 1a81 s GLY 231 CO 0.00 -2.12 -0.84 0.28 0.00 0.00 0.00 173.10 170.42 1a81 n LYS 232 N -1.04 -0.11 -5.01 2.90 4.76 -1.26 -4.67 118.16 113.73 1a81 n LYS 232 Ca -0.09 -0.03 -0.28 0.00 -2.87 0.00 0.00 58.31 55.05 1a81 n LYS 232 Cb 0.67 -1.12 -0.16 0.00 -1.84 0.00 0.00 35.03 32.58 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 -2.24 2.09 0.25 1.97 1.02 -1.26 -4.40 119.74 117.16 1a81 s LYS 233 Ca 0.41 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.70 1a81 s LYS 233 Cb -0.11 -1.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.36 1a81 s LYS 233 CO 0.76 0.30 0.04 -0.06 -0.92 0.00 0.00 175.35 175.47 1a81 s PHE 234 N -0.05 1.61 -0.05 3.18 0.40 -0.55 -4.72 117.98 117.79 1a81 s PHE 234 Ca -0.04 -1.01 0.13 0.00 -0.60 0.00 0.00 56.93 55.42 1a81 s PHE 234 Cb -0.12 -0.96 -0.19 0.00 0.51 0.00 0.00 43.02 42.26 1a81 s PHE 234 CO 0.03 -0.12 0.84 -0.44 0.70 0.00 0.00 175.22 176.22 1a81 h ASP 235 N 2.39 0.00 -1.58 1.36 5.19 -1.54 -2.18 116.42 120.07 1a81 h ASP 235 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1a81 h ASP 235 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1a81 h ASP 235 CO 0.64 0.86 0.00 0.35 -3.12 0.00 0.00 179.24 177.97 1a81 n THR 236 N -3.06 0.00 -0.07 0.35 -2.24 -1.26 -4.73 114.28 103.27 1a81 n THR 236 Ca -0.11 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1a81 n THR 236 Cb 0.96 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.13 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 2.90 -0.05 3.22 4.32 -1.26 -2.50 117.00 123.62 1a81 n LEU 237 Ca 0.00 -0.06 0.24 0.00 -0.02 0.00 0.00 56.01 56.17 1a81 n LEU 237 Cb 0.00 -0.50 0.61 0.00 -1.62 0.00 0.00 43.42 41.90 1a81 n LEU 237 CO 0.00 0.72 1.22 4.11 -1.22 0.00 0.00 177.39 182.22 1a81 h TRP 238 N -0.03 0.00 0.00 -1.77 5.08 -1.92 2.74 115.95 120.05 1a81 h TRP 238 Ca -0.33 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.64 1a81 h TRP 238 Cb 1.49 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.65 1a81 h TRP 238 CO 0.01 0.00 -0.06 1.96 -1.28 0.00 0.00 178.44 179.07 1a81 h GLN 239 N 0.00 0.00 -0.54 0.12 4.20 -1.92 -1.04 115.11 115.92 1a81 h GLN 239 Ca 0.34 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.16 1a81 h GLN 239 Cb 1.96 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.65 1a81 h GLN 239 CO -0.00 0.53 -0.07 1.25 -0.67 0.00 0.00 178.83 179.86 1a81 h LEU 240 N -1.00 -0.38 0.28 1.46 6.46 0.41 -1.90 115.31 120.63 1a81 h LEU 240 Ca -0.01 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1a81 h LEU 240 Cb 0.56 0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1a81 h LEU 240 CO -0.01 -0.14 -0.13 0.58 -0.62 0.00 0.00 178.44 178.12 1a81 h VAL 241 N 0.05 0.00 -0.34 1.05 2.07 0.32 -1.61 116.25 117.79 1a81 h VAL 241 Ca 0.27 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 67.78 1a81 h VAL 241 Cb 0.42 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 1a81 h VAL 241 CO -0.52 0.00 0.08 1.21 0.02 0.00 0.00 177.57 178.37 1a81 n GLU 242 N -3.33 -0.02 -0.03 1.57 2.13 -0.39 0.15 120.64 120.71 1a81 n GLU 242 Ca -0.05 0.50 -0.07 0.00 0.66 0.00 0.00 57.16 58.20 1a81 n GLU 242 Cb 0.15 -0.83 -0.06 0.00 0.27 0.00 0.00 31.44 30.97 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 -0.05 0.00 4.31 2.76 -1.28 -3.18 115.15 117.70 1a81 h HIS 243 Ca 0.24 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1a81 h HIS 243 Cb 0.57 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1a81 h HIS 243 CO -0.10 0.37 0.00 0.66 -1.30 0.00 0.00 177.93 177.55 1a81 n TYR 244 N -4.76 0.00 0.96 5.26 4.01 0.39 0.16 117.16 123.18 1a81 n TYR 244 Ca -0.05 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.82 1a81 n TYR 244 Cb 0.21 -0.46 0.42 0.00 -0.31 0.00 0.00 39.34 39.20 1a81 n TYR 244 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1a81 n SER 245 N -1.46 0.30 -0.02 7.72 7.64 0.23 -1.85 113.62 126.17 1a81 n SER 245 Ca 0.02 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1a81 n SER 245 Cb 0.07 -0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.08 1a81 n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a81 n TYR 246 N -1.56 0.00 -3.68 1.43 4.19 0.41 -4.57 117.16 113.38 1a81 n TYR 246 Ca 0.06 0.00 -0.10 0.00 3.31 0.00 0.00 57.90 61.17 1a81 n TYR 246 Cb 0.35 -0.31 -0.10 0.00 0.49 0.00 0.00 39.34 39.77 1a81 n TYR 246 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1a81 s LYS 247 N -2.43 0.43 0.26 2.98 2.20 -0.28 -5.02 119.74 117.88 1a81 s LYS 247 Ca -0.04 0.89 -0.02 0.00 -0.36 0.00 0.00 55.97 56.45 1a81 s LYS 247 Cb 0.04 0.05 0.54 0.00 -1.51 0.00 0.00 37.83 36.96 1a81 s LYS 247 CO 0.36 -0.17 1.71 0.00 -0.36 0.00 0.00 175.35 176.90 1a81 h ALA 248 N 7.24 1.17 -7.05 3.13 0.00 -1.83 -3.39 119.26 118.54 1a81 h ALA 248 Ca -0.33 0.14 -0.61 0.00 0.00 0.00 0.00 54.91 54.11 1a81 h ALA 248 Cb 1.18 0.12 -0.24 0.00 0.00 0.00 0.00 17.79 18.85 1a81 h ALA 248 CO 0.25 -0.26 -0.94 -3.47 0.00 0.00 0.00 179.25 174.84 1a81 n ASP 249 N -5.03 -0.05 0.00 0.00 2.03 -1.26 -0.44 116.55 111.80 1a81 n ASP 249 Ca 0.17 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.24 1a81 n ASP 249 Cb 0.49 -1.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 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 -2.10 3.13 3.75 0.27 0.00 -1.26 -4.84 105.19 104.14 1a81 n GLY 250 Ca -0.20 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1a81 n GLY 250 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a81 n LEU 251 N 0.00 4.41 0.05 0.99 4.77 0.42 -4.81 117.00 122.83 1a81 n LEU 251 Ca 0.00 1.20 0.01 0.00 -0.03 0.00 0.00 56.01 57.19 1a81 n LEU 251 Cb 0.00 -1.58 0.07 0.00 -2.33 0.00 0.00 43.42 39.58 1a81 n LEU 251 CO 0.00 0.03 0.59 -0.11 -1.33 0.00 0.00 177.39 176.57 1a81 n LEU 252 N 1.06 0.07 -3.86 2.23 -0.00 -1.26 -4.63 117.00 110.61 1a81 n LEU 252 Ca 0.04 0.28 -0.00 0.00 -0.00 0.00 0.00 56.01 56.33 1a81 n LEU 252 Cb 0.37 -0.24 0.01 0.00 -0.00 0.00 0.00 43.42 43.56 1a81 n LEU 252 CO 0.64 -0.30 0.96 0.00 -0.00 0.00 0.00 177.39 178.69 1a81 s ARG 253 N -2.64 0.78 0.28 1.96 1.70 -1.26 -5.12 118.95 114.64 1a81 s ARG 253 Ca -0.00 -0.49 0.04 0.00 -0.47 0.00 0.00 55.73 54.81 1a81 s ARG 253 Cb 0.01 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 1a81 s ARG 253 CO 0.02 -0.36 0.42 0.54 -1.08 0.00 0.00 175.30 174.84 1a81 s VAL 254 N -2.25 5.10 0.57 4.99 0.11 -1.26 -4.66 120.40 123.00 1a81 s VAL 254 Ca 0.22 -0.86 -0.20 0.00 -2.93 0.00 0.00 61.98 58.21 1a81 s VAL 254 Cb -0.00 -3.82 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 1a81 s VAL 254 CO 0.01 -0.37 1.23 -0.76 -3.33 0.00 0.00 175.10 171.88 1a81 s LEU 255 N -4.08 3.74 0.00 2.54 1.43 -0.77 -4.69 118.68 116.85 1a81 s LEU 255 Ca 0.37 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 1a81 s LEU 255 Cb -0.09 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1a81 s LEU 255 CO 0.31 -1.51 0.00 0.35 0.23 0.00 0.00 176.35 175.73 1a81 n THR 256 N -1.35 0.00 -3.91 5.49 -2.24 -0.49 -4.64 114.28 107.14 1a81 n THR 256 Ca 0.12 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.55 1a81 n THR 256 Cb 0.49 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.11 5.16 -0.16 2.28 -7.23 -1.25 -4.93 120.40 115.37 1a81 s VAL 257 Ca 0.00 0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.97 1a81 s VAL 257 Cb 0.00 -3.30 -0.05 0.00 0.56 0.00 0.00 36.38 33.59 1a81 s VAL 257 CO 0.00 0.52 1.93 -2.16 -0.31 0.00 0.00 175.10 175.08 1a81 s PRO 258 N -0.18 3.62 0.29 4.82 0.04 -1.26 -1.68 135.00 140.65 1a81 s PRO 258 Ca 0.09 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 1a81 s PRO 258 Cb -0.12 -4.20 -0.13 0.00 0.04 0.00 0.00 34.50 30.10 1a81 s PRO 258 CO 0.01 -1.53 1.34 0.00 0.04 0.00 0.00 177.00 176.86 1a81 s GLN 260 N -1.12 4.21 -0.01 0.00 2.00 -1.26 -4.48 119.66 119.00 1a81 s GLN 260 Ca 0.62 1.93 -0.02 0.00 -2.00 0.00 0.00 55.36 55.89 1a81 s GLN 260 Cb -0.61 -2.85 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 1a81 s GLN 260 CO 0.56 -0.21 0.14 -1.59 -0.50 0.00 0.00 175.29 173.68 1a81 s LYS 261 N -2.04 3.29 0.00 1.67 -2.85 -1.26 -4.98 119.74 113.56 1a81 s LYS 261 Ca 0.53 -0.38 0.00 0.00 -1.00 0.00 0.00 55.97 55.12 1a81 s LYS 261 Cb -0.33 -3.00 0.00 0.00 -2.06 0.00 0.00 37.83 32.43 1a81 s LYS 261 CO 0.43 0.67 0.17 -0.89 0.10 0.00 0.00 175.35 175.82