#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 1.13 0.27 -0.43 0.00 -1.26 -4.17 120.51 116.05 1a81 n ALA 10 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1a81 n ALA 10 Cb 0.00 -0.84 0.85 0.00 0.00 0.00 0.00 19.45 19.46 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 0.27 0.00 0.79 0.00 4.21 -2.03 -1.72 115.58 117.10 1a81 h ASN 11 Ca 0.00 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.32 1a81 h ASN 11 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1a81 h ASN 11 CO 0.00 0.00 -0.90 1.12 -1.29 0.00 0.00 177.43 176.36 1a81 h HIS 12 N 0.00 0.10 -2.07 1.19 2.07 -1.98 -3.43 115.15 111.03 1a81 h HIS 12 Ca 0.00 -0.06 -0.57 0.00 -2.85 0.00 0.00 60.37 56.89 1a81 h HIS 12 Cb 0.10 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 30.07 1a81 h HIS 12 CO 0.00 0.92 1.47 -0.51 -3.07 0.00 0.00 177.93 176.74 1a81 s LEU 13 N -7.11 3.44 0.11 6.12 1.43 -0.65 -4.83 118.68 117.19 1a81 s LEU 13 Ca -0.01 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 1a81 s LEU 13 Cb 0.10 -3.37 0.34 0.00 0.03 0.00 0.00 46.19 43.29 1a81 s LEU 13 CO 0.81 -2.04 1.12 -0.81 0.23 0.00 0.00 176.35 175.66 1a81 n PRO 14 N 8.75 0.04 -0.72 1.29 -0.04 -1.26 -0.35 135.00 142.71 1a81 n PRO 14 Ca 0.29 0.48 0.01 0.00 -0.04 0.00 0.00 63.50 64.24 1a81 n PRO 14 Cb 0.47 -1.74 0.26 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.67 1.46 -4.07 0.54 -1.74 -1.26 0.13 117.46 110.84 1a81 n PHE 15 Ca -0.00 -1.18 -0.35 0.00 -0.56 0.00 0.00 57.45 55.36 1a81 n PHE 15 Cb 0.11 -0.48 -0.13 0.00 1.52 0.00 0.00 39.48 40.50 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 -3.00 3.00 -0.40 2.97 5.36 0.53 0.37 117.98 126.81 1a81 s PHE 16 Ca 0.47 -0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 55.83 1a81 s PHE 16 Cb 0.39 -2.08 0.11 0.00 -0.34 0.00 0.00 43.02 41.10 1a81 s PHE 16 CO 0.08 -0.32 0.19 -0.06 -1.46 0.00 0.00 175.22 173.65 1a81 s PHE 17 N 1.09 3.60 0.00 10.12 0.08 -0.25 -4.61 117.98 128.01 1a81 s PHE 17 Ca 0.02 -2.45 0.00 0.00 0.12 0.00 0.00 56.93 54.62 1a81 s PHE 17 Cb -0.14 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 1a81 s PHE 17 CO 0.01 -0.97 0.00 0.41 -0.10 0.00 0.00 175.22 174.57 1a81 n GLY 18 N 4.57 0.00 3.41 4.36 0.00 -1.26 -3.84 105.19 112.44 1a81 n GLY 18 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 6.19 0.25 1.61 3.84 0.77 -2.35 114.94 125.26 1a81 s ASN 19 Ca 0.00 -1.26 0.11 0.00 0.21 0.00 0.00 52.86 51.92 1a81 s ASN 19 Cb 0.00 -2.36 -0.05 0.00 -0.55 0.00 0.00 41.25 38.30 1a81 s ASN 19 CO 0.00 -1.26 -0.18 -0.63 -2.79 0.00 0.00 177.10 172.24 1a81 s ILE 20 N 3.30 2.60 0.48 -5.21 1.09 -1.25 -4.55 121.20 117.66 1a81 s ILE 20 Ca 0.17 -2.21 -0.14 0.00 -1.10 0.00 0.00 60.65 57.37 1a81 s ILE 20 Cb -0.20 -2.33 -0.07 0.00 -1.06 0.00 0.00 42.46 38.80 1a81 s ILE 20 CO 0.07 -0.31 0.91 0.42 -0.10 0.00 0.00 174.94 175.94 1a81 s THR 21 N -2.22 4.65 0.12 2.92 -4.23 -1.26 -4.92 115.64 110.69 1a81 s THR 21 Ca 0.27 0.95 -0.24 0.00 -1.18 0.00 0.00 61.69 61.49 1a81 s THR 21 Cb -0.06 -3.74 -0.06 0.00 1.34 0.00 0.00 72.50 69.98 1a81 s THR 21 CO 0.14 -0.68 1.67 -0.09 -0.54 0.00 0.00 174.62 175.12 1a81 h ARG 22 N 0.90 -0.27 0.25 3.99 2.43 -1.99 -1.83 114.38 117.86 1a81 h ARG 22 Ca -0.47 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1a81 h ARG 22 Cb 1.19 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1a81 h ARG 22 CO 0.62 -0.18 -0.24 0.93 -1.51 0.00 0.00 179.97 179.60 1a81 h GLU 23 N -0.28 -0.47 -0.68 0.20 4.39 -1.99 -0.69 114.58 115.07 1a81 h GLU 23 Ca 0.06 0.03 0.22 0.00 0.34 0.00 0.00 59.36 60.01 1a81 h GLU 23 Cb 0.35 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 1a81 h GLU 23 CO -0.18 -0.31 0.46 -1.91 -1.16 0.00 0.00 179.01 175.91 1a81 n GLU 24 N -3.80 -0.01 -0.07 2.33 2.13 -1.11 0.17 120.64 120.28 1a81 n GLU 24 Ca -0.06 0.53 -0.12 0.00 0.66 0.00 0.00 57.16 58.17 1a81 n GLU 24 Cb 0.22 -1.08 -0.10 0.00 0.27 0.00 0.00 31.44 30.75 1a81 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a81 h ALA 25 N 0.62 0.04 -1.05 4.31 0.00 -0.35 -2.87 119.26 119.95 1a81 h ALA 25 Ca 0.39 -0.51 0.34 0.00 0.00 0.00 0.00 54.91 55.14 1a81 h ALA 25 Cb 1.37 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 19.14 1a81 h ALA 25 CO -0.14 0.12 0.62 0.93 0.00 0.00 0.00 179.25 180.78 1a81 h GLU 26 N -1.00 0.26 0.69 0.00 5.08 0.32 0.26 114.58 120.18 1a81 h GLU 26 Ca -0.05 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1a81 h GLU 26 Cb 0.84 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1a81 h GLU 26 CO -0.03 0.17 -0.33 -0.44 -1.00 0.00 0.00 179.01 177.38 1a81 h ASP 27 N 0.27 -0.78 -1.00 1.42 3.32 -1.13 -2.61 116.42 115.90 1a81 h ASP 27 Ca 0.75 0.01 0.39 0.00 0.02 0.00 0.00 57.03 58.20 1a81 h ASP 27 Cb 1.85 0.20 -0.18 0.00 0.22 0.00 0.00 39.33 41.43 1a81 h ASP 27 CO -0.57 -0.42 0.46 1.88 -1.72 0.00 0.00 179.24 178.87 1a81 h TYR 28 N -1.19 0.69 -0.38 4.55 0.05 -0.34 0.51 116.97 120.85 1a81 h TYR 28 Ca -0.09 0.05 -0.12 0.00 0.05 0.00 0.00 58.73 58.61 1a81 h TYR 28 Cb 0.73 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 1a81 h TYR 28 CO 0.00 -0.46 -0.25 -0.07 -1.05 0.00 0.00 178.16 176.32 1a81 h LEU 29 N 0.01 0.81 -0.11 3.88 3.38 -0.71 0.94 115.31 123.51 1a81 h LEU 29 Ca 0.81 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 58.43 1a81 h LEU 29 Cb 2.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 1a81 h LEU 29 CO -0.79 1.03 -0.06 -0.37 0.09 0.00 0.00 178.44 178.33 1a81 h VAL 30 N 0.68 1.32 0.00 1.22 -1.51 0.12 0.93 116.25 119.01 1a81 h VAL 30 Ca 0.09 -1.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.45 1a81 h VAL 30 Cb 0.78 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1a81 h VAL 30 CO 0.06 0.32 0.17 -0.61 -1.23 0.00 0.00 177.57 176.28 1a81 h GLN 31 N -0.12 0.00 0.06 5.19 4.15 -0.17 0.49 115.11 124.72 1a81 h GLN 31 Ca 0.02 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.13 1a81 h GLN 31 Cb 0.53 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1a81 h GLN 31 CO 0.02 0.00 -1.74 0.78 -1.93 0.00 0.00 178.83 175.96 1a81 h GLY 32 N 0.00 0.16 0.00 2.39 0.00 0.49 -3.48 103.07 102.62 1a81 h GLY 32 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1a81 h GLY 32 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 176.54 177.50 1a81 n GLY 33 N 1.71 0.42 1.44 4.60 0.00 0.28 -4.79 105.19 108.85 1a81 n GLY 33 Ca -0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 1a81 n GLY 33 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a81 n MET 34 N 0.00 -1.18 -2.03 1.61 2.81 0.39 -4.83 117.12 113.88 1a81 n MET 34 Ca 0.00 0.26 -0.42 0.00 -1.81 0.00 0.00 57.70 55.73 1a81 n MET 34 Cb 0.00 -4.24 -0.03 0.00 -0.71 0.00 0.00 33.22 28.24 1a81 n MET 34 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1a81 s SER 35 N -1.31 6.69 0.19 7.83 1.04 -1.26 -4.05 113.70 122.83 1a81 s SER 35 Ca 0.00 2.39 -0.30 0.00 0.48 0.00 0.00 55.95 58.51 1a81 s SER 35 Cb 0.00 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 63.39 1a81 s SER 35 CO 0.00 -0.81 0.80 0.47 0.98 0.00 0.00 173.24 174.67 1a81 n ASP 36 N 5.20 -0.14 0.00 7.02 8.00 -1.24 -2.09 116.55 133.30 1a81 n ASP 36 Ca 0.14 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.79 1a81 n ASP 36 Cb 0.41 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 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 1.77 0.54 3.76 0.44 0.00 0.59 -4.77 105.19 107.52 1a81 n GLY 37 Ca 0.16 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 4.43 0.16 0.99 0.20 -0.89 -1.32 118.68 122.25 1a81 s LEU 38 Ca 0.00 1.24 -0.06 0.00 0.69 0.00 0.00 54.13 55.99 1a81 s LEU 38 Cb 0.00 -3.00 -0.02 0.00 -0.43 0.00 0.00 46.19 42.74 1a81 s LEU 38 CO 0.00 0.08 0.22 -0.72 -0.29 0.00 0.00 176.35 175.64 1a81 s TYR 39 N -0.17 0.59 0.03 5.38 1.13 -0.79 0.12 117.35 123.63 1a81 s TYR 39 Ca 0.33 -0.94 -0.20 0.00 -1.41 0.00 0.00 57.07 54.84 1a81 s TYR 39 Cb -0.19 -0.20 0.04 0.00 -1.10 0.00 0.00 41.96 40.51 1a81 s TYR 39 CO 0.19 -0.67 0.46 -0.48 -2.51 0.00 0.00 175.55 172.53 1a81 s LEU 40 N -3.01 0.21 -0.13 -3.49 0.05 0.11 -0.01 118.68 112.42 1a81 s LEU 40 Ca 0.21 0.14 -0.00 0.00 0.05 0.00 0.00 54.13 54.53 1a81 s LEU 40 Cb 0.05 1.87 -0.02 0.00 -2.05 0.00 0.00 46.19 46.04 1a81 s LEU 40 CO 0.02 -0.64 -0.12 -0.22 -0.55 0.00 0.00 176.35 174.84 1a81 s LEU 41 N -1.80 2.78 0.06 1.48 1.98 0.16 -0.87 118.68 122.46 1a81 s LEU 41 Ca -0.07 -0.29 0.03 0.00 -2.89 0.00 0.00 54.13 50.90 1a81 s LEU 41 Cb -0.01 -1.62 -0.03 0.00 0.66 0.00 0.00 46.19 45.18 1a81 s LEU 41 CO 0.00 0.18 -0.09 0.00 -1.89 0.00 0.00 176.35 174.55 1a81 s ARG 42 N 0.25 0.64 0.26 1.98 1.70 0.87 -1.09 118.95 123.56 1a81 s ARG 42 Ca -0.08 -0.89 -0.29 0.00 -0.47 0.00 0.00 55.73 54.00 1a81 s ARG 42 Cb -0.15 -0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 33.73 1a81 s ARG 42 CO 0.05 0.07 1.26 -1.14 -1.08 0.00 0.00 175.30 174.46 1a81 s GLN 43 N -1.94 4.43 0.77 3.89 0.74 -0.99 0.15 119.66 126.72 1a81 s GLN 43 Ca -0.05 2.06 -0.11 0.00 0.05 0.00 0.00 55.36 57.31 1a81 s GLN 43 Cb -0.08 -3.15 0.06 0.00 1.10 0.00 0.00 33.01 30.94 1a81 s GLN 43 CO 0.00 -0.13 1.09 0.45 -0.55 0.00 0.00 175.29 176.15 1a81 s SER 44 N -0.22 4.51 0.00 6.67 0.15 -1.14 -4.62 113.70 119.05 1a81 s SER 44 Ca 0.51 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.94 1a81 s SER 44 Cb -0.37 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 1a81 s SER 44 CO 0.44 -2.02 0.74 0.54 1.20 0.00 0.00 173.24 174.14 1a81 n ARG 45 N -3.51 1.38 0.00 5.44 1.74 -1.26 -4.72 116.66 115.73 1a81 n ARG 45 Ca 0.09 -1.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.15 1a81 n ARG 45 Cb 0.53 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 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 -0.27 0.00 -3.77 0.55 6.94 -1.26 -4.75 115.26 112.70 1a81 n ASN 46 Ca 0.00 -1.00 -0.24 0.00 -0.02 0.00 0.00 54.58 53.32 1a81 n ASN 46 Cb 0.22 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.46 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 0.78 0.30 -2.53 1.51 -1.26 -1.79 117.35 114.36 1a81 s TYR 47 Ca 0.00 -0.33 -0.28 0.00 -1.01 0.00 0.00 57.07 55.45 1a81 s TYR 47 Cb 0.00 -0.87 -0.13 0.00 -0.11 0.00 0.00 41.96 40.85 1a81 s TYR 47 CO 0.00 -0.40 1.11 1.28 -1.11 0.00 0.00 175.55 176.44 1a81 n LEU 48 N 5.12 2.39 0.00 -1.29 7.99 -1.26 -2.73 117.00 127.23 1a81 n LEU 48 Ca -0.08 1.19 0.00 0.00 -0.01 0.00 0.00 56.01 57.11 1a81 n LEU 48 Cb 0.49 -1.35 0.00 0.00 -0.11 0.00 0.00 43.42 42.45 1a81 n LEU 48 CO 0.11 -1.08 0.00 0.61 -1.51 0.00 0.00 177.39 175.52 1a81 n GLY 49 N 1.10 0.00 0.00 -0.72 0.00 -1.26 -4.51 105.19 99.80 1a81 n GLY 49 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.52 -0.36 1.95 -0.02 0.00 -1.10 -4.72 105.19 101.45 1a81 n GLY 50 Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1a81 n GLY 50 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a81 n PHE 51 N -1.29 -0.57 -3.94 1.61 3.01 0.17 -2.89 117.46 113.57 1a81 n PHE 51 Ca 0.00 -1.65 -0.14 0.00 1.01 0.00 0.00 57.45 56.67 1a81 n PHE 51 Cb 0.00 0.20 -0.14 0.00 -0.01 0.00 0.00 39.48 39.53 1a81 n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1a81 s ALA 52 N -2.74 0.15 -0.16 4.37 0.00 0.41 0.21 121.76 123.99 1a81 s ALA 52 Ca 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1a81 s ALA 52 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1a81 s ALA 52 CO 0.16 0.01 -0.17 -1.17 0.00 0.00 0.00 175.76 174.60 1a81 s LEU 53 N 0.15 2.38 -0.12 0.00 0.20 0.23 -0.09 118.68 121.42 1a81 s LEU 53 Ca -0.01 -0.52 0.02 0.00 0.69 0.00 0.00 54.13 54.31 1a81 s LEU 53 Cb -0.03 -1.54 -0.00 0.00 -0.43 0.00 0.00 46.19 44.19 1a81 s LEU 53 CO -0.00 0.06 -0.19 -0.44 -0.29 0.00 0.00 176.35 175.49 1a81 s SER 54 N 0.93 3.49 -0.00 3.68 0.01 -0.05 0.23 113.70 122.00 1a81 s SER 54 Ca -0.03 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 1a81 s SER 54 Cb -0.15 -1.51 -0.00 0.00 0.21 0.00 0.00 66.02 64.57 1a81 s SER 54 CO -0.03 0.14 0.03 0.68 0.41 0.00 0.00 173.24 174.47 1a81 s VAL 55 N 0.49 0.04 -0.60 3.43 -7.23 -0.45 0.07 120.40 116.15 1a81 s VAL 55 Ca -0.12 -0.36 -0.24 0.00 -1.81 0.00 0.00 61.98 59.45 1a81 s VAL 55 Cb -0.17 -0.17 0.05 0.00 0.56 0.00 0.00 36.38 36.66 1a81 s VAL 55 CO 0.05 -0.20 0.96 0.00 -0.31 0.00 0.00 175.10 175.61 1a81 s ALA 56 N -0.60 3.12 -0.27 1.32 0.00 0.32 -1.61 121.76 124.05 1a81 s ALA 56 Ca -0.07 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.43 1a81 s ALA 56 Cb -0.04 -3.80 0.08 0.00 0.00 0.00 0.00 23.12 19.36 1a81 s ALA 56 CO -0.00 -2.56 0.05 -1.58 0.00 0.00 0.00 175.76 171.67 1a81 s HIS 57 N 4.08 1.81 -0.20 0.00 5.04 -0.49 -0.30 115.29 125.22 1a81 s HIS 57 Ca 0.28 -1.62 -0.01 0.00 -1.54 0.00 0.00 55.06 52.17 1a81 s HIS 57 Cb -0.14 -1.61 -0.01 0.00 0.04 0.00 0.00 32.58 30.86 1a81 s HIS 57 CO 0.16 -0.80 0.18 0.41 -2.34 0.00 0.00 174.74 172.35 1a81 n GLY 58 N 4.82 0.46 2.46 1.59 0.00 -1.26 -3.28 105.19 109.98 1a81 n GLY 58 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.80 -1.18 -4.06 1.61 1.85 -1.26 -4.84 116.66 106.98 1a81 n ARG 59 Ca -0.01 0.10 -0.23 0.00 -1.00 0.00 0.00 57.85 56.70 1a81 n ARG 59 Cb 0.52 -2.84 -0.06 0.00 -1.05 0.00 0.00 32.46 29.03 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 -0.52 2.35 0.03 2.89 1.02 -1.20 -5.11 119.74 119.20 1a81 s LYS 60 Ca 0.00 -1.61 0.09 0.00 0.02 0.00 0.00 55.97 54.47 1a81 s LYS 60 Cb 0.00 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1a81 s LYS 60 CO 0.00 0.03 -0.26 0.00 -0.92 0.00 0.00 175.35 174.20 1a81 s ALA 61 N -2.47 2.25 -0.08 5.17 0.00 -1.26 -1.40 121.76 123.98 1a81 s ALA 61 Ca 0.39 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1a81 s ALA 61 Cb -0.01 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1a81 s ALA 61 CO 0.23 0.53 -0.11 -1.01 0.00 0.00 0.00 175.76 175.41 1a81 s HIS 62 N -0.77 1.43 -0.21 0.00 0.09 -0.63 -4.96 115.29 110.24 1a81 s HIS 62 Ca 0.11 -0.58 -0.05 0.00 -0.00 0.00 0.00 55.06 54.55 1a81 s HIS 62 Cb -0.10 -1.09 -0.02 0.00 -0.00 0.00 0.00 32.58 31.37 1a81 s HIS 62 CO 0.02 -0.34 -0.00 -1.01 -0.00 0.00 0.00 174.74 173.41 1a81 s HIS 63 N 0.95 3.02 -0.05 1.40 3.76 -1.26 -1.34 115.29 121.77 1a81 s HIS 63 Ca -0.09 -0.55 0.06 0.00 -0.15 0.00 0.00 55.06 54.33 1a81 s HIS 63 Cb -0.15 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.43 1a81 s HIS 63 CO 0.00 -0.31 -0.25 0.71 -0.85 0.00 0.00 174.74 174.04 1a81 s TYR 64 N 1.14 2.42 -0.44 1.40 2.02 0.14 -4.96 117.35 119.07 1a81 s TYR 64 Ca 0.03 -0.63 -0.15 0.00 -0.37 0.00 0.00 57.07 55.95 1a81 s TYR 64 Cb -0.14 -1.57 0.05 0.00 -0.40 0.00 0.00 41.96 39.89 1a81 s TYR 64 CO 0.01 -0.16 0.33 -0.08 -1.57 0.00 0.00 175.55 174.09 1a81 s THR 65 N -0.30 5.13 -0.79 -0.71 -1.32 -1.26 0.74 115.64 117.13 1a81 s THR 65 Ca 0.01 -0.90 -0.25 0.00 -1.21 0.00 0.00 61.69 59.34 1a81 s THR 65 Cb -0.13 -3.97 0.05 0.00 -1.51 0.00 0.00 72.50 66.95 1a81 s THR 65 CO 0.02 -0.43 1.23 -0.63 -2.21 0.00 0.00 174.62 172.60 1a81 s ILE 66 N 1.64 3.97 0.53 5.08 1.01 0.13 -4.31 121.20 129.25 1a81 s ILE 66 Ca 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 1a81 s ILE 66 Cb -0.22 -4.88 -0.06 0.00 0.01 0.00 0.00 42.46 37.32 1a81 s ILE 66 CO 0.08 -1.76 0.94 -1.61 0.00 0.00 0.00 174.94 172.59 1a81 s GLU 67 N 5.00 3.73 -0.29 2.79 2.02 -1.16 0.45 118.70 131.25 1a81 s GLU 67 Ca 0.34 0.69 -0.18 0.00 0.02 0.00 0.00 54.97 55.84 1a81 s GLU 67 Cb -0.08 -2.19 -0.02 0.00 0.10 0.00 0.00 34.13 31.93 1a81 s GLU 67 CO 0.07 -0.33 0.53 0.50 0.02 0.00 0.00 175.26 176.06 1a81 s ARG 68 N -4.53 3.95 -0.16 1.61 6.06 -1.26 -1.09 118.95 123.52 1a81 s ARG 68 Ca 0.55 0.22 -0.29 0.00 -2.50 0.00 0.00 55.73 53.70 1a81 s ARG 68 Cb -0.10 -3.70 -0.00 0.00 0.06 0.00 0.00 34.95 31.21 1a81 s ARG 68 CO 0.42 -0.45 1.02 -1.21 -2.50 0.00 0.00 175.30 172.58 1a81 s GLU 69 N 2.38 4.35 0.27 5.12 0.41 0.71 -4.92 118.70 127.01 1a81 s GLU 69 Ca 0.21 1.38 0.20 0.00 -0.41 0.00 0.00 54.97 56.35 1a81 s GLU 69 Cb -0.15 -3.59 0.91 0.00 -1.78 0.00 0.00 34.13 29.52 1a81 s GLU 69 CO 0.10 -0.46 0.94 1.28 -0.49 0.00 0.00 175.26 176.63 1a81 n LEU 70 N 5.62 0.12 0.00 1.80 4.32 -1.26 0.20 117.00 127.80 1a81 n LEU 70 Ca 0.10 0.81 0.04 0.00 -0.02 0.00 0.00 56.01 56.94 1a81 n LEU 70 Cb 0.47 -0.40 0.21 0.00 -1.62 0.00 0.00 43.42 42.08 1a81 n LEU 70 CO 0.52 -0.88 0.49 0.59 -1.22 0.00 0.00 177.39 176.89 1a81 n ASN 71 N -3.81 0.00 0.00 -1.43 3.02 -1.26 -4.73 115.26 107.05 1a81 n ASN 71 Ca 0.24 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1a81 n ASN 71 Cb 0.96 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 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 -0.58 0.94 3.90 7.41 0.00 0.53 -5.03 105.19 112.36 1a81 n GLY 72 Ca 0.05 0.00 -0.30 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 -3.02 5.11 0.07 2.61 -4.23 -0.80 -4.87 115.64 110.51 1a81 s THR 73 Ca 0.00 0.01 0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1a81 s THR 73 Cb 0.00 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 1a81 s THR 73 CO 0.00 -0.10 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.59 1a81 s TYR 74 N -1.82 2.80 -0.29 3.99 2.02 -0.68 0.25 117.35 123.64 1a81 s TYR 74 Ca 0.42 -0.11 -0.16 0.00 -0.37 0.00 0.00 57.07 56.85 1a81 s TYR 74 Cb -0.11 -1.50 0.13 0.00 -0.40 0.00 0.00 41.96 40.07 1a81 s TYR 74 CO 0.26 0.41 0.87 0.00 -1.57 0.00 0.00 175.55 175.52 1a81 s ALA 75 N -1.15 -2.17 0.04 3.71 0.00 -0.25 -0.71 121.76 121.23 1a81 s ALA 75 Ca 0.20 2.27 -0.30 0.00 0.00 0.00 0.00 51.96 54.13 1a81 s ALA 75 Cb -0.11 -1.65 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 1a81 s ALA 75 CO 0.12 -0.43 1.61 0.42 0.00 0.00 0.00 175.76 177.48 1a81 s ILE 76 N 1.59 3.23 0.24 0.00 1.01 -1.26 -2.99 121.20 123.02 1a81 s ILE 76 Ca -0.09 0.62 -0.27 0.00 0.00 0.00 0.00 60.65 60.91 1a81 s ILE 76 Cb -0.05 -3.40 -0.16 0.00 0.01 0.00 0.00 42.46 38.86 1a81 s ILE 76 CO -0.17 -0.01 0.50 0.00 0.00 0.00 0.00 174.94 175.26 1a81 n ALA 77 N 5.79 -2.62 0.00 9.38 0.00 -1.26 -2.02 120.51 129.77 1a81 n ALA 77 Ca 0.16 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1a81 n ALA 77 Cb 0.41 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 1.97 2.78 2.28 0.00 0.00 -1.26 -5.05 105.19 105.91 1a81 n GLY 78 Ca 0.16 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 3.17 3.54 -0.02 0.00 -0.86 -5.11 105.19 105.91 1a81 n GLY 79 Ca 0.00 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 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 -1.12 0.44 -4.01 1.61 0.63 -1.26 -4.79 116.66 108.17 1a81 n ARG 80 Ca -0.05 0.20 -0.34 0.00 -0.92 0.00 0.00 57.85 56.73 1a81 n ARG 80 Cb 0.38 -2.00 -0.10 0.00 0.45 0.00 0.00 32.46 31.19 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 -1.83 4.80 0.28 5.15 -4.23 -1.26 -4.61 115.64 113.94 1a81 s THR 81 Ca 0.70 -0.03 0.09 0.00 -1.18 0.00 0.00 61.69 61.26 1a81 s THR 81 Cb -0.36 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 1a81 s THR 81 CO 0.54 0.46 0.08 -1.00 -0.54 0.00 0.00 174.62 174.16 1a81 s HIS 82 N 0.34 2.78 0.00 3.99 0.09 0.11 -4.90 115.29 117.70 1a81 s HIS 82 Ca 0.03 -0.24 0.00 0.00 -0.00 0.00 0.00 55.06 54.85 1a81 s HIS 82 Cb -0.12 -1.36 0.00 0.00 -0.00 0.00 0.00 32.58 31.09 1a81 s HIS 82 CO 0.00 0.52 0.51 0.00 -0.00 0.00 0.00 174.74 175.77 1a81 n ALA 83 N -1.03 -0.00 -2.53 -1.40 0.00 -1.26 -1.68 120.51 112.61 1a81 n ALA 83 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 1a81 n ALA 83 Cb 0.59 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 20.05 1a81 n ALA 83 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a81 s SER 84 N -2.41 3.77 0.30 0.00 1.04 -1.26 -4.06 113.70 111.08 1a81 s SER 84 Ca 0.00 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.34 1a81 s SER 84 Cb 0.00 -0.37 0.56 0.00 0.10 0.00 0.00 66.02 66.30 1a81 s SER 84 CO 0.00 -0.13 1.90 1.55 0.98 0.00 0.00 173.24 177.54 1a81 h PRO 85 N 2.06 0.97 -0.96 4.02 0.13 -1.94 -0.40 132.00 135.88 1a81 h PRO 85 Ca -0.42 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 64.70 1a81 h PRO 85 Cb 1.25 -0.22 -0.06 0.00 0.13 0.00 0.00 31.00 32.11 1a81 h PRO 85 CO 0.67 0.64 0.63 0.00 -0.23 0.00 0.00 178.00 179.70 1a81 h ALA 86 N 1.52 1.41 0.49 -0.56 0.00 -1.98 0.56 119.26 120.71 1a81 h ALA 86 Ca 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1a81 h ALA 86 Cb 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1a81 h ALA 86 CO -0.16 0.47 -0.24 -0.44 0.00 0.00 0.00 179.25 178.89 1a81 h ASP 87 N 1.17 -0.56 -1.02 0.00 3.32 -1.57 0.35 116.42 118.12 1a81 h ASP 87 Ca 0.39 -0.07 0.33 0.00 0.02 0.00 0.00 57.03 57.70 1a81 h ASP 87 Cb 0.08 0.15 -0.15 0.00 0.22 0.00 0.00 39.33 39.63 1a81 h ASP 87 CO -0.13 -0.20 0.58 0.25 -1.72 0.00 0.00 179.24 178.01 1a81 h LEU 88 N -0.96 0.49 0.33 1.55 5.85 -0.12 2.18 115.31 124.63 1a81 h LEU 88 Ca -0.07 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1a81 h LEU 88 Cb 0.60 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1a81 h LEU 88 CO 0.11 -0.16 -0.16 0.00 -0.34 0.00 0.00 178.44 177.90 1a81 h HIS 90 N -0.95 -0.45 0.38 0.00 3.86 0.29 0.23 115.15 118.51 1a81 h HIS 90 Ca -0.05 0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1a81 h HIS 90 Cb 0.51 0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 1a81 h HIS 90 CO 0.04 -0.31 -0.36 -0.92 0.86 0.00 0.00 177.93 177.23 1a81 h TYR 91 N -0.02 -0.99 0.00 2.45 3.20 0.35 -0.73 116.97 121.23 1a81 h TYR 91 Ca 0.32 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1a81 h TYR 91 Cb 0.52 0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1a81 h TYR 91 CO -0.57 -0.48 0.00 0.72 -1.64 0.00 0.00 178.16 176.18 1a81 n HIS 92 N -4.56 0.00 0.28 -3.82 8.25 0.07 -0.86 115.22 114.58 1a81 n HIS 92 Ca -0.09 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.53 1a81 n HIS 92 Cb 0.33 -0.32 0.58 0.00 1.12 0.00 0.00 29.99 31.71 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 0.98 -3.06 113.55 112.75 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 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1a81 h SER 93 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1a81 n GLN 94 N -3.02 0.83 -3.57 2.24 10.64 -0.04 -4.37 117.38 120.09 1a81 n GLN 94 Ca 0.01 -0.25 -0.23 0.00 -1.83 0.00 0.00 57.00 54.70 1a81 n GLN 94 Cb 0.34 -0.71 -0.16 0.00 -0.86 0.00 0.00 30.24 28.85 1a81 n GLN 94 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1a81 s GLU 95 N -0.19 0.10 0.00 2.61 2.12 -1.13 -5.06 118.70 117.15 1a81 s GLU 95 Ca 0.00 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.36 1a81 s GLU 95 Cb 0.00 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.81 1a81 s GLU 95 CO 0.00 -0.66 0.78 -1.13 -0.54 0.00 0.00 175.26 173.72 1a81 n SER 96 N 5.29 0.00 -3.24 -1.70 3.41 -1.26 -4.47 113.62 111.65 1a81 n SER 96 Ca -0.06 0.78 -0.12 0.00 -0.26 0.00 0.00 58.87 59.21 1a81 n SER 96 Cb 0.49 -0.28 0.05 0.00 -0.26 0.00 0.00 64.21 64.21 1a81 n SER 96 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1a81 n ASP 97 N -1.95 -6.84 0.00 4.04 -0.08 -1.26 -2.78 116.55 107.67 1a81 n ASP 97 Ca 0.00 -0.57 0.00 0.00 -1.51 0.00 0.00 54.79 52.71 1a81 n ASP 97 Cb 0.00 -5.05 0.00 0.00 2.34 0.00 0.00 41.12 38.41 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 -1.42 2.94 3.72 0.27 0.00 -1.26 -5.01 105.19 104.42 1a81 n GLY 98 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1a81 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a81 s LEU 99 N 0.00 4.41 0.46 0.99 1.43 -1.12 -4.90 118.68 119.95 1a81 s LEU 99 Ca 0.00 1.98 0.40 0.00 -1.03 0.00 0.00 54.13 55.48 1a81 s LEU 99 Cb 0.00 -3.59 1.47 0.00 0.03 0.00 0.00 46.19 44.11 1a81 s LEU 99 CO 0.00 -0.36 1.37 1.33 0.23 0.00 0.00 176.35 178.93 1a81 n VAL 100 N 3.43 -0.06 -3.79 -1.59 0.24 -1.26 -4.62 118.33 110.68 1a81 n VAL 100 Ca 0.06 1.39 -0.02 0.00 -2.04 0.00 0.00 64.34 63.74 1a81 n VAL 100 Cb 0.47 -2.30 0.00 0.00 -1.47 0.00 0.00 33.84 30.54 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 -3.19 3.07 -0.51 0.00 2.01 -1.26 -4.78 118.68 114.02 1a81 s LEU 102 Ca 0.17 1.73 -0.16 0.00 0.01 0.00 0.00 54.13 55.89 1a81 s LEU 102 Cb -0.00 -4.51 0.10 0.00 0.01 0.00 0.00 46.19 41.79 1a81 s LEU 102 CO 0.02 -1.78 0.48 -0.76 1.01 0.00 0.00 176.35 175.31 1a81 s LEU 103 N -5.76 5.84 0.00 1.79 1.43 -1.16 -4.40 118.68 116.42 1a81 s LEU 103 Ca 0.60 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 1a81 s LEU 103 Cb -0.16 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1a81 s LEU 103 CO 0.56 -0.79 0.16 0.29 0.23 0.00 0.00 176.35 176.79 1a81 n LYS 104 N 5.35 0.00 -4.27 1.70 4.76 -0.43 -4.57 118.16 120.69 1a81 n LYS 104 Ca -0.13 0.44 -0.32 0.00 -2.87 0.00 0.00 58.31 55.44 1a81 n LYS 104 Cb 0.42 -1.03 -0.09 0.00 -1.84 0.00 0.00 35.03 32.49 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 -1.20 2.73 0.05 1.97 2.20 -0.98 -5.03 119.74 119.48 1a81 s LYS 105 Ca 0.00 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 54.91 1a81 s LYS 105 Cb 0.00 -2.64 -0.05 0.00 -1.51 0.00 0.00 37.83 33.64 1a81 s LYS 105 CO 0.00 0.61 0.28 -1.25 -0.36 0.00 0.00 175.35 174.63 1a81 s PRO 106 N -1.67 3.56 -0.40 4.03 0.04 -1.26 -1.89 135.00 137.40 1a81 s PRO 106 Ca 0.20 -0.16 -0.17 0.00 0.04 0.00 0.00 61.00 60.91 1a81 s PRO 106 Cb -0.12 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.42 1a81 s PRO 106 CO 0.11 0.60 0.44 0.12 0.04 0.00 0.00 177.00 178.31 1a81 s PHE 107 N -1.43 3.17 0.44 0.56 2.19 0.99 -4.84 117.98 119.06 1a81 s PHE 107 Ca 0.32 -0.24 -0.21 0.00 0.33 0.00 0.00 56.93 57.14 1a81 s PHE 107 Cb -0.13 -2.88 -0.11 0.00 -1.31 0.00 0.00 43.02 38.59 1a81 s PHE 107 CO 0.21 -0.65 0.96 -0.80 1.83 0.00 0.00 175.22 176.77 1a81 s ASN 108 N 1.80 6.90 -0.15 6.13 -0.87 -1.26 -4.38 114.94 123.10 1a81 s ASN 108 Ca 0.13 1.70 -0.31 0.00 -1.57 0.00 0.00 52.86 52.81 1a81 s ASN 108 Cb -0.17 -2.54 -0.09 0.00 -0.02 0.00 0.00 41.25 38.43 1a81 s ASN 108 CO 0.14 -0.39 2.07 -1.14 -2.57 0.00 0.00 177.10 175.20 1a81 n ARG 109 N -0.69 2.06 -1.39 -0.60 0.63 0.35 -4.87 116.66 112.15 1a81 n ARG 109 Ca 0.07 0.68 -0.37 0.00 -0.92 0.00 0.00 57.85 57.31 1a81 n ARG 109 Cb 0.54 -2.89 0.07 0.00 0.45 0.00 0.00 32.46 30.63 1a81 n ARG 109 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1a81 n PRO 110 N 7.80 0.51 -1.23 -0.14 -0.02 -1.26 -4.76 135.00 135.90 1a81 n PRO 110 Ca 0.28 0.22 -0.48 0.00 -2.02 0.00 0.00 63.50 61.49 1a81 n PRO 110 Cb 0.36 -2.00 -0.07 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.04 0.00 0.00 -0.52 1.13 -1.26 -1.34 117.38 114.36 1a81 n GLN 111 Ca 0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1a81 n GLN 111 Cb 0.49 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.64 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 1.49 1.57 3.56 1.08 0.00 -1.26 -4.99 105.19 106.64 1a81 n GLY 112 Ca 0.17 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 2.16 -4.52 1.61 0.31 -0.45 -5.01 118.33 112.43 1a81 n VAL 113 Ca 0.00 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.59 1a81 n VAL 113 Cb 0.00 -0.93 -0.11 0.00 -0.91 0.00 0.00 33.84 31.89 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 -1.75 1.78 0.21 5.55 -1.52 -1.26 -4.77 119.66 117.89 1a81 s GLN 114 Ca 0.62 -1.98 -0.30 0.00 -1.95 0.00 0.00 55.36 51.75 1a81 s GLN 114 Cb -0.62 -1.28 -0.09 0.00 -0.22 0.00 0.00 33.01 30.80 1a81 s GLN 114 CO 0.58 -0.08 1.28 -2.14 -0.25 0.00 0.00 175.29 174.68 1a81 s PRO 115 N -3.78 4.41 0.29 2.91 0.02 -1.26 -4.71 135.00 132.88 1a81 s PRO 115 Ca 0.35 2.03 -0.29 0.00 0.02 0.00 0.00 61.00 63.11 1a81 s PRO 115 Cb 0.08 -3.19 -0.10 0.00 0.02 0.00 0.00 34.50 31.31 1a81 s PRO 115 CO 0.16 -0.20 1.25 0.15 -0.33 0.00 0.00 177.00 178.03 1a81 s LYS 116 N -0.35 4.44 -0.14 5.54 -0.14 -1.26 -4.48 119.74 123.35 1a81 s LYS 116 Ca 0.55 2.08 -0.02 0.00 -1.36 0.00 0.00 55.97 57.22 1a81 s LYS 116 Cb -0.36 -3.12 -0.02 0.00 -1.68 0.00 0.00 37.83 32.64 1a81 s LYS 116 CO 0.39 -0.09 -0.07 0.99 -0.76 0.00 0.00 175.35 175.82 1a81 s THR 117 N -0.92 3.63 1.12 2.17 2.01 -1.26 0.27 115.64 122.66 1a81 s THR 117 Ca 0.49 -0.46 -0.18 0.00 0.31 0.00 0.00 61.69 61.86 1a81 s THR 117 Cb -0.37 -2.56 0.28 0.00 0.01 0.00 0.00 72.50 69.85 1a81 s THR 117 CO 0.47 0.52 0.62 0.61 -0.69 0.00 0.00 174.62 176.15 1a81 n GLY 118 N 3.34 -3.40 0.90 4.40 0.00 -1.26 -4.84 105.19 104.33 1a81 n GLY 118 Ca -0.18 -1.10 0.05 0.00 0.00 0.00 0.00 46.02 44.79 1a81 n GLY 118 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a81 n PRO 119 N -4.14 2.33 0.00 1.61 -0.04 -1.26 -4.12 135.00 129.38 1a81 n PRO 119 Ca 0.10 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1a81 n PRO 119 Cb 0.43 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1a81 n PRO 119 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1a81 n PHE 120 N 0.49 0.00 0.04 0.54 1.16 -1.26 -4.37 117.46 114.06 1a81 n PHE 120 Ca 0.13 0.00 0.21 0.00 -1.87 0.00 0.00 57.45 55.92 1a81 n PHE 120 Cb 0.49 0.00 0.73 0.00 -1.61 0.00 0.00 39.48 39.09 1a81 n PHE 120 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 1a81 h GLU 121 N 0.00 0.00 0.11 3.97 4.39 -1.92 1.37 114.58 122.49 1a81 h GLU 121 Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1a81 h GLU 121 Cb 0.00 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1a81 h GLU 121 CO 0.00 0.00 -0.68 -0.44 -1.16 0.00 0.00 179.01 176.73 1a81 h ASP 122 N 0.00 0.42 0.93 1.42 5.19 -1.83 -3.20 116.42 119.35 1a81 h ASP 122 Ca 0.23 -0.93 -0.05 0.00 -0.62 0.00 0.00 57.03 55.66 1a81 h ASP 122 Cb 1.03 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.41 1a81 h ASP 122 CO -0.00 1.31 -0.44 0.17 -3.12 0.00 0.00 179.24 177.16 1a81 h LEU 123 N -0.42 -1.05 -0.37 1.55 8.10 -0.39 -3.31 115.31 119.42 1a81 h LEU 123 Ca -0.11 0.04 0.03 0.00 0.11 0.00 0.00 57.88 57.95 1a81 h LEU 123 Cb 1.51 0.27 -0.05 0.00 -0.44 0.00 0.00 40.66 41.96 1a81 h LEU 123 CO 0.13 -0.75 -0.25 0.11 -4.11 0.00 0.00 178.44 173.57 1a81 h LYS 124 N -1.25 -0.03 -1.35 0.17 1.79 0.14 0.14 116.57 116.17 1a81 h LYS 124 Ca -0.13 0.00 0.39 0.00 -2.18 0.00 0.00 60.65 58.74 1a81 h LYS 124 Cb 0.95 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.56 1a81 h LYS 124 CO 0.21 -0.02 1.02 -1.91 -1.08 0.00 0.00 179.45 177.67 1a81 n GLU 125 N -3.93 0.00 -0.14 3.15 4.07 -1.21 0.88 120.64 123.47 1a81 n GLU 125 Ca 0.00 0.78 -0.28 0.00 -0.06 0.00 0.00 57.16 57.60 1a81 n GLU 125 Cb 0.12 -1.83 -0.10 0.00 -0.06 0.00 0.00 31.44 29.57 1a81 n GLU 125 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1a81 n ASN 126 N -3.30 1.96 -0.22 4.31 0.23 -0.17 -3.99 115.26 114.08 1a81 n ASN 126 Ca 0.30 0.27 0.03 0.00 -0.53 0.00 0.00 54.58 54.66 1a81 n ASN 126 Cb 1.43 -0.76 0.07 0.00 -2.08 0.00 0.00 39.78 38.44 1a81 n ASN 126 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1a81 n LEU 127 N -4.11 -0.25 -0.03 -4.53 7.94 0.25 0.93 117.00 117.21 1a81 n LEU 127 Ca -0.53 1.04 -0.15 0.00 -1.11 0.00 0.00 56.01 55.25 1a81 n LEU 127 Cb 0.90 -0.30 -0.11 0.00 0.53 0.00 0.00 43.42 44.44 1a81 n LEU 127 CO 0.07 -0.99 0.41 0.16 -1.11 0.00 0.00 177.39 175.93 1a81 h ILE 128 N 0.00 1.49 -1.54 1.96 -2.65 -1.59 -1.12 117.51 114.07 1a81 h ILE 128 Ca 0.28 -1.85 0.46 0.00 1.03 0.00 0.00 64.86 64.78 1a81 h ILE 128 Cb 0.43 2.59 -0.09 0.00 -2.05 0.00 0.00 36.82 37.70 1a81 h ILE 128 CO -0.62 0.51 1.07 -0.09 0.03 0.00 0.00 178.15 179.05 1a81 h ARG 129 N -0.37 0.05 0.00 0.16 9.65 0.43 0.66 114.38 124.95 1a81 h ARG 129 Ca -0.03 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1a81 h ARG 129 Cb 0.99 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1a81 h ARG 129 CO 0.06 0.03 0.00 -1.91 2.80 0.00 0.00 179.97 180.95 1a81 n GLU 130 N -4.30 0.00 -0.10 0.20 4.07 0.83 -2.42 120.64 118.92 1a81 n GLU 130 Ca 0.37 0.36 0.01 0.00 -0.06 0.00 0.00 57.16 57.84 1a81 n GLU 130 Cb 1.60 -1.04 0.03 0.00 -0.06 0.00 0.00 31.44 31.97 1a81 n GLU 130 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 1a81 n TYR 131 N -1.58 0.07 0.09 4.31 4.19 0.18 -0.02 117.16 124.40 1a81 n TYR 131 Ca 0.00 0.32 -0.04 0.00 3.31 0.00 0.00 57.90 61.49 1a81 n TYR 131 Cb 0.00 -0.63 -0.02 0.00 0.49 0.00 0.00 39.34 39.17 1a81 n TYR 131 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1a81 h VAL 132 N 0.00 0.00 -1.24 2.97 2.07 -0.28 0.84 116.25 120.61 1a81 h VAL 132 Ca 0.11 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.01 1a81 h VAL 132 Cb 0.18 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.84 1a81 h VAL 132 CO -0.27 0.00 0.81 0.11 0.02 0.00 0.00 177.57 178.25 1a81 h LYS 133 N -0.26 0.17 0.00 1.57 6.56 -0.08 0.28 116.57 124.81 1a81 h LYS 133 Ca -0.02 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1a81 h LYS 133 Cb 0.21 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1a81 h LYS 133 CO 0.02 0.11 0.00 0.94 -2.06 0.00 0.00 179.45 178.46 1a81 n GLN 134 N -4.61 0.00 -0.36 3.15 7.27 -0.61 -0.98 117.38 121.24 1a81 n GLN 134 Ca 0.33 0.35 -0.00 0.00 0.07 0.00 0.00 57.00 57.74 1a81 n GLN 134 Cb 1.25 -1.10 0.14 0.00 2.41 0.00 0.00 30.24 32.94 1a81 n GLN 134 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1a81 h THR 135 N 0.00 1.21 -0.12 1.69 1.35 -0.58 -2.21 112.91 114.25 1a81 h THR 135 Ca 0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1a81 h THR 135 Cb 0.00 -0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.22 1a81 h THR 135 CO 0.00 0.24 0.00 0.79 -0.25 0.00 0.00 175.52 176.30 1a81 n TRP 136 N -4.42 0.15 -2.27 4.73 7.02 0.96 -4.95 117.44 118.67 1a81 n TRP 136 Ca 0.13 -0.07 -0.09 0.00 -1.02 0.00 0.00 57.50 56.45 1a81 n TRP 136 Cb 0.06 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.94 1a81 n TRP 136 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1a81 n ASN 137 N 0.45 -0.78 -4.79 -0.99 4.13 -0.15 -4.89 115.26 108.24 1a81 n ASN 137 Ca 0.17 -0.05 -0.25 0.00 1.68 0.00 0.00 54.58 56.14 1a81 n ASN 137 Cb 0.38 -0.73 -0.06 0.00 -1.54 0.00 0.00 39.78 37.83 1a81 n ASN 137 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1a81 s LEU 138 N -3.65 3.06 0.00 3.41 2.34 -1.20 -5.02 118.68 117.62 1a81 s LEU 138 Ca 0.17 -1.08 0.00 0.00 0.06 0.00 0.00 54.13 53.28 1a81 s LEU 138 Cb -0.10 -1.46 0.00 0.00 -0.56 0.00 0.00 46.19 44.07 1a81 s LEU 138 CO 0.21 -0.66 0.00 0.00 -1.06 0.00 0.00 176.35 174.84 1a81 n GLN 139 N -1.37 0.00 0.00 1.48 3.00 -1.26 -4.50 117.38 114.73 1a81 n GLN 139 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1a81 n GLN 139 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.88 1a81 n GLN 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a81 n GLY 140 N 0.00 0.20 0.00 1.08 0.00 -1.26 0.72 105.19 105.93 1a81 n GLY 140 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1a81 n GLY 140 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a81 n GLN 141 N 0.00 3.02 -0.15 1.61 6.02 -1.26 -4.75 117.38 121.88 1a81 n GLN 141 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1a81 n GLN 141 Cb 0.00 -0.70 0.04 0.00 1.02 0.00 0.00 30.24 30.59 1a81 n GLN 141 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a81 h ALA 142 N 0.00 0.58 0.04 -1.58 0.00 -0.10 -2.68 119.26 115.52 1a81 h ALA 142 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1a81 h ALA 142 Cb 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1a81 h ALA 142 CO 0.00 -0.11 -0.21 1.25 0.00 0.00 0.00 179.25 180.18 1a81 h LEU 143 N 0.47 -0.61 -0.89 0.00 5.85 -1.50 -2.77 115.31 115.87 1a81 h LEU 143 Ca 0.20 0.08 0.24 0.00 0.84 0.00 0.00 57.88 59.23 1a81 h LEU 143 Cb 0.10 0.25 -0.16 0.00 0.37 0.00 0.00 40.66 41.22 1a81 h LEU 143 CO -0.13 -0.28 0.10 -0.33 -0.34 0.00 0.00 178.44 177.46 1a81 h GLU 144 N -0.36 0.10 0.00 1.25 4.39 -1.76 -3.06 114.58 115.14 1a81 h GLU 144 Ca 0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1a81 h GLU 144 Cb 0.41 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1a81 h GLU 144 CO -0.17 0.07 0.00 1.04 -1.16 0.00 0.00 179.01 178.79 1a81 n GLN 145 N -5.36 0.00 -0.04 2.33 1.13 -1.06 -3.20 117.38 111.18 1a81 n GLN 145 Ca 0.20 0.22 0.02 0.00 -1.94 0.00 0.00 57.00 55.49 1a81 n GLN 145 Cb 0.67 -1.11 0.03 0.00 0.11 0.00 0.00 30.24 29.94 1a81 n GLN 145 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a81 n ALA 146 N -1.15 0.05 0.15 -1.58 0.00 -1.12 -0.12 120.51 116.74 1a81 n ALA 146 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.47 1a81 n ALA 146 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.29 1a81 n ALA 146 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1a81 h ILE 147 N 0.00 0.42 -0.83 0.00 3.07 -1.65 0.90 117.51 119.42 1a81 h ILE 147 Ca 0.07 -0.76 0.06 0.00 1.55 0.00 0.00 64.86 65.79 1a81 h ILE 147 Cb 0.14 0.67 -0.05 0.00 -0.27 0.00 0.00 36.82 37.31 1a81 h ILE 147 CO -0.12 0.10 0.54 0.16 -1.05 0.00 0.00 178.15 177.78 1a81 h ILE 148 N -0.99 1.06 0.38 0.16 -2.65 -0.49 3.34 117.51 118.33 1a81 h ILE 148 Ca -0.05 -0.32 -0.02 0.00 1.03 0.00 0.00 64.86 65.50 1a81 h ILE 148 Cb 0.50 0.05 0.00 0.00 -2.05 0.00 0.00 36.82 35.32 1a81 h ILE 148 CO 0.07 0.17 -0.18 0.28 0.03 0.00 0.00 178.15 178.52 1a81 h SER 149 N 0.94 -0.43 0.11 2.16 0.02 -1.05 -3.36 113.55 111.95 1a81 h SER 149 Ca 0.35 -0.14 -0.25 0.00 -0.84 0.00 0.00 61.79 60.92 1a81 h SER 149 Cb 0.19 0.11 0.03 0.00 0.14 0.00 0.00 62.40 62.86 1a81 h SER 149 CO -0.12 -0.02 -1.04 1.56 -1.14 0.00 0.00 176.83 176.07 1a81 h GLN 150 N -0.94 0.51 0.00 3.45 1.08 0.11 -3.42 115.11 115.90 1a81 h GLN 150 Ca -0.05 -0.70 0.00 0.00 -1.45 0.00 0.00 58.65 56.45 1a81 h GLN 150 Cb 0.54 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1a81 h GLN 150 CO 0.08 1.30 0.00 1.17 -0.95 0.00 0.00 178.83 180.44 1a81 n LYS 151 N -3.95 0.00 0.00 1.46 3.00 1.11 -2.47 118.16 117.31 1a81 n LYS 151 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1a81 n LYS 151 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.93 1a81 n LYS 151 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1a81 n PRO 152 N -0.19 0.00 -0.09 1.64 -0.01 -1.26 0.29 135.00 135.37 1a81 n PRO 152 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 63.50 63.27 1a81 n PRO 152 Cb 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 33.50 33.37 1a81 n PRO 152 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 175.50 176.43 1a81 n GLN 153 N -3.03 0.66 -0.34 -0.52 0.00 -1.03 -4.48 117.38 108.64 1a81 n GLN 153 Ca 0.00 0.26 0.04 0.00 -0.00 0.00 0.00 57.00 57.30 1a81 n GLN 153 Cb 0.00 -1.59 0.12 0.00 0.00 0.00 0.00 30.24 28.77 1a81 n GLN 153 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1a81 h LEU 154 N -0.31 -0.95 -0.82 1.69 3.38 -0.27 0.18 115.31 118.20 1a81 h LEU 154 Ca -0.54 0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.80 1a81 h LEU 154 Cb 1.81 0.61 -0.10 0.00 0.09 0.00 0.00 40.66 43.06 1a81 h LEU 154 CO -0.13 -0.31 -0.54 -0.33 0.09 0.00 0.00 178.44 177.22 1a81 h GLU 155 N -0.00 -0.07 0.00 1.13 5.08 -1.75 1.14 114.58 120.11 1a81 h GLU 155 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1a81 h GLU 155 Cb 0.68 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1a81 h GLU 155 CO -0.98 -0.04 0.42 -0.22 -1.00 0.00 0.00 179.01 177.19 1a81 h LYS 156 N -0.07 0.00 0.00 2.33 1.63 -1.21 -1.75 116.57 117.51 1a81 h LYS 156 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1a81 h LYS 156 Cb 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1a81 h LYS 156 CO -0.81 0.00 -0.05 1.25 -3.45 0.00 0.00 179.45 176.39 1a81 h LEU 157 N 0.00 0.00 -1.00 5.20 5.85 0.14 -3.31 115.31 122.19 1a81 h LEU 157 Ca 0.00 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.07 1a81 h LEU 157 Cb 0.84 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.68 1a81 h LEU 157 CO 0.00 0.09 0.30 0.40 -0.34 0.00 0.00 178.44 178.89 1a81 h ILE 158 N -0.14 0.00 0.00 4.05 5.03 -1.03 -2.27 117.51 123.16 1a81 h ILE 158 Ca 0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1a81 h ILE 158 Cb 0.05 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.84 1a81 h ILE 158 CO 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.47 1a81 n ALA 159 N -2.68 -0.22 0.28 1.87 0.00 -0.68 -2.25 120.51 116.83 1a81 n ALA 159 Ca 0.31 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.79 1a81 n ALA 159 Cb 1.05 0.08 0.20 0.00 0.00 0.00 0.00 19.45 20.77 1a81 n ALA 159 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1a81 h THR 160 N 0.00 0.00 -2.19 0.00 1.35 -1.50 -2.50 112.91 108.06 1a81 h THR 160 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 66.41 65.30 1a81 h THR 160 Cb 0.00 0.16 -0.37 0.00 -1.73 0.00 0.00 68.15 66.21 1a81 h THR 160 CO 0.00 0.00 -0.99 0.35 -0.25 0.00 0.00 175.52 174.63 1a81 n THR 161 N -2.36 -1.03 0.00 6.82 -2.24 -1.02 -4.78 114.28 109.67 1a81 n THR 161 Ca -0.00 -3.46 0.00 0.00 -2.27 0.00 0.00 64.05 58.31 1a81 n THR 161 Cb 0.75 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 2.46 1.45 0.16 6.98 0.00 -0.94 -4.64 120.51 125.97 1a81 n ALA 162 Ca 0.27 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.89 1a81 n ALA 162 Cb 0.50 0.11 0.79 0.00 0.00 0.00 0.00 19.45 20.85 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 -0.31 0.00 2.07 -1.86 0.27 115.15 115.32 1a81 h HIS 163 Ca 0.00 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.61 1a81 h HIS 163 Cb 0.45 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.42 1a81 h HIS 163 CO 0.00 0.00 0.31 0.93 -3.07 0.00 0.00 177.93 176.10 1a81 h GLU 164 N 0.00 0.00 0.00 5.12 5.08 -1.93 -0.68 114.58 122.17 1a81 h GLU 164 Ca 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1a81 h GLU 164 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1a81 h GLU 164 CO -0.00 0.00 -2.03 1.17 -1.00 0.00 0.00 179.01 177.15 1a81 n LYS 165 N -3.88 0.66 -2.13 2.33 4.81 0.93 -4.96 118.16 115.92 1a81 n LYS 165 Ca 0.05 -0.18 -0.41 0.00 -0.87 0.00 0.00 58.31 56.90 1a81 n LYS 165 Cb 0.46 -1.52 -0.03 0.00 0.02 0.00 0.00 35.03 33.97 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 -3.41 4.35 0.37 1.64 1.00 -0.26 -4.96 119.30 118.02 1a81 s MET 166 Ca -0.08 2.18 0.12 0.00 0.00 0.00 0.00 55.69 57.91 1a81 s MET 166 Cb 0.13 -3.13 0.93 0.00 0.00 0.00 0.00 34.83 32.76 1a81 s MET 166 CO 0.90 -0.27 1.84 -1.35 0.00 0.00 0.00 175.02 176.13 1a81 h PRO 167 N 4.59 0.56 0.00 2.03 0.11 -1.94 -1.76 132.00 135.59 1a81 h PRO 167 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a81 h PRO 167 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1a81 h PRO 167 CO 0.73 0.37 0.00 0.11 -0.21 0.00 0.00 178.00 179.00 1a81 h TRP 168 N 0.58 0.00 -3.60 0.65 5.08 -1.87 -3.41 115.95 113.38 1a81 h TRP 168 Ca 0.49 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.81 1a81 h TRP 168 Cb 0.99 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.99 1a81 h TRP 168 CO -0.00 0.00 -0.09 0.12 -1.28 0.00 0.00 178.44 177.19 1a81 s PHE 169 N -3.31 3.17 -0.72 0.12 5.36 -0.66 0.74 117.98 122.66 1a81 s PHE 169 Ca 0.06 0.01 -0.05 0.00 -0.96 0.00 0.00 56.93 56.00 1a81 s PHE 169 Cb 0.09 -2.95 0.19 0.00 -0.34 0.00 0.00 43.02 40.01 1a81 s PHE 169 CO 0.52 -0.60 0.58 -1.01 -1.46 0.00 0.00 175.22 173.24 1a81 s HIS 170 N 2.36 3.57 0.00 10.12 3.76 0.11 -4.81 115.29 130.39 1a81 s HIS 170 Ca 0.17 -2.66 0.00 0.00 -0.15 0.00 0.00 55.06 52.42 1a81 s HIS 170 Cb -0.16 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.21 1a81 s HIS 170 CO 0.14 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.59 1a81 n GLY 171 N 3.30 0.00 3.71 -2.22 0.00 -1.26 -4.33 105.19 104.39 1a81 n GLY 171 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 4.32 0.03 1.61 2.36 -1.26 -2.09 119.74 124.70 1a81 s LYS 172 Ca 0.00 0.49 -0.17 0.00 -2.55 0.00 0.00 55.97 53.74 1a81 s LYS 172 Cb 0.00 -3.46 0.03 0.00 -1.05 0.00 0.00 37.83 33.35 1a81 s LYS 172 CO 0.00 0.08 0.38 0.42 1.55 0.00 0.00 175.35 177.78 1a81 s ILE 173 N 0.85 0.06 0.72 5.43 1.01 -1.23 -4.95 121.20 123.10 1a81 s ILE 173 Ca 0.27 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 1a81 s ILE 173 Cb -0.15 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.46 1a81 s ILE 173 CO 0.11 -0.28 1.19 -0.94 0.00 0.00 0.00 174.94 175.02 1a81 s SER 174 N -1.86 4.32 0.40 3.58 1.04 -1.26 -4.82 113.70 115.10 1a81 s SER 174 Ca -0.07 2.30 0.09 0.00 0.48 0.00 0.00 55.95 58.75 1a81 s SER 174 Cb -0.02 -2.58 0.84 0.00 0.10 0.00 0.00 66.02 64.36 1a81 s SER 174 CO -0.01 -2.17 1.97 -0.09 0.98 0.00 0.00 173.24 173.92 1a81 h ARG 175 N -0.26 0.31 0.10 4.02 2.43 -2.00 -2.93 114.38 116.05 1a81 h ARG 175 Ca -0.47 -0.05 -0.35 0.00 -0.81 0.00 0.00 59.98 58.29 1a81 h ARG 175 Cb 1.29 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1a81 h ARG 175 CO 0.50 0.35 -1.96 0.39 -1.51 0.00 0.00 179.97 177.74 1a81 n GLU 176 N -4.35 0.73 0.28 0.20 4.71 -1.26 -3.12 120.64 117.84 1a81 n GLU 176 Ca 0.00 0.29 0.08 0.00 -0.01 0.00 0.00 57.16 57.52 1a81 n GLU 176 Cb 0.20 -1.70 0.34 0.00 -1.01 0.00 0.00 31.44 29.27 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 -0.07 0.00 0.00 3.49 4.81 -1.91 0.40 114.58 121.31 1a81 h GLU 177 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1a81 h GLU 177 Cb 1.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.32 1a81 h GLU 177 CO 0.04 0.00 -0.03 0.66 -0.73 0.00 0.00 179.01 178.94 1a81 h SER 178 N 0.00 0.00 -0.28 1.04 4.64 -1.59 -2.99 113.55 114.37 1a81 h SER 178 Ca 0.04 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1a81 h SER 178 Cb 1.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.64 1a81 h SER 178 CO -0.00 0.11 -0.17 -0.62 -0.87 0.00 0.00 176.83 175.28 1a81 n GLU 179 N -2.57 -0.12 0.03 4.77 -0.58 0.12 -0.41 120.64 121.88 1a81 n GLU 179 Ca -0.00 0.58 -0.03 0.00 -0.42 0.00 0.00 57.16 57.28 1a81 n GLU 179 Cb 0.02 -0.86 -0.02 0.00 -0.57 0.00 0.00 31.44 30.01 1a81 n GLU 179 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1a81 h GLN 180 N 0.00 -0.17 -0.57 3.49 4.20 -1.32 -1.60 115.11 119.15 1a81 h GLN 180 Ca 0.05 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.93 1a81 h GLN 180 Cb 0.12 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1a81 h GLN 180 CO -0.27 -0.11 0.77 0.97 -0.67 0.00 0.00 178.83 179.53 1a81 h ILE 181 N -0.17 0.15 0.07 2.54 2.10 -0.57 0.24 117.51 121.87 1a81 h ILE 181 Ca -0.00 0.00 -0.31 0.00 1.08 0.00 0.00 64.86 65.63 1a81 h ILE 181 Cb 0.16 0.35 -0.03 0.00 -1.09 0.00 0.00 36.82 36.22 1a81 h ILE 181 CO -0.05 0.00 -1.68 1.62 -1.08 0.00 0.00 178.15 176.97 1a81 h VAL 182 N 0.00 0.94 -0.04 2.19 3.04 -0.54 -3.34 116.25 118.50 1a81 h VAL 182 Ca 0.27 -2.69 -0.09 0.00 -1.01 0.00 0.00 66.70 63.18 1a81 h VAL 182 Cb 1.82 2.58 -0.01 0.00 -2.01 0.00 0.00 31.29 33.66 1a81 h VAL 182 CO -0.00 0.73 -0.39 -0.07 -1.01 0.00 0.00 177.57 176.82 1a81 h LEU 183 N 0.04 0.08-10.10 3.16 -0.00 0.39 -3.44 115.31 105.44 1a81 h LEU 183 Ca -0.29 -0.03 -0.53 0.00 -0.00 0.00 0.00 57.88 57.03 1a81 h LEU 183 Cb 2.01 -0.02 0.12 0.00 -0.00 0.00 0.00 40.66 42.76 1a81 h LEU 183 CO 0.11 0.47 0.48 -0.63 -0.00 0.00 0.00 178.44 178.87 1a81 s ILE 184 N -4.15 2.55 0.00 1.22 1.09 -0.54 -4.73 121.20 116.64 1a81 s ILE 184 Ca -0.03 0.34 0.00 0.00 -1.10 0.00 0.00 60.65 59.86 1a81 s ILE 184 Cb 0.14 -3.14 0.00 0.00 -1.06 0.00 0.00 42.46 38.40 1a81 s ILE 184 CO 0.74 -0.07 0.00 0.61 -0.10 0.00 0.00 174.94 176.12 1a81 n GLY 185 N 0.56 -0.31 3.68 6.18 0.00 -1.26 -4.78 105.19 109.26 1a81 n GLY 185 Ca 0.14 -1.08 -0.45 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.47 3.68 -1.80 1.61 7.64 -1.26 -4.89 113.62 117.14 1a81 n SER 186 Ca 0.00 0.99 -0.15 0.00 1.01 0.00 0.00 58.87 60.72 1a81 n SER 186 Cb 0.00 -1.46 0.06 0.00 -1.01 0.00 0.00 64.21 61.80 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 5.75 1.76 -1.97 1.43 -0.00 -1.26 -4.94 118.16 118.92 1a81 n LYS 187 Ca 0.20 -1.59 -0.41 0.00 -0.00 0.00 0.00 58.31 56.51 1a81 n LYS 187 Cb 0.33 -1.62 -0.02 0.00 -0.00 0.00 0.00 35.03 33.72 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 -2.11 2.52 0.60 0.58 -4.23 -1.26 -4.81 115.64 106.92 1a81 s THR 188 Ca 0.31 0.46 -0.18 0.00 -1.18 0.00 0.00 61.69 61.09 1a81 s THR 188 Cb 0.25 -3.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 1a81 s THR 188 CO 0.02 0.08 1.19 0.21 -0.54 0.00 0.00 174.62 175.58 1a81 s ASN 189 N 0.18 5.18 -0.36 3.99 3.84 -1.26 -3.51 114.94 123.00 1a81 s ASN 189 Ca 0.57 2.34 0.00 0.00 0.21 0.00 0.00 52.86 55.98 1a81 s ASN 189 Cb -0.43 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.68 1a81 s ASN 189 CO 0.48 -1.60 0.00 0.61 -2.79 0.00 0.00 177.10 173.80 1a81 n GLY 190 N 0.40 0.65 3.73 1.21 0.00 0.35 -4.70 105.19 106.83 1a81 n GLY 190 Ca 0.13 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.06 4.72 0.28 1.61 2.20 -1.23 -0.38 119.74 124.89 1a81 s LYS 191 Ca 0.00 1.45 -0.02 0.00 -0.36 0.00 0.00 55.97 57.04 1a81 s LYS 191 Cb 0.00 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1a81 s LYS 191 CO 0.00 0.27 0.34 -0.59 -0.36 0.00 0.00 175.35 175.01 1a81 s PHE 192 N -0.21 1.11 -0.13 4.03 -0.71 -0.69 0.11 117.98 121.50 1a81 s PHE 192 Ca 0.46 -1.29 -0.32 0.00 -1.04 0.00 0.00 56.93 54.74 1a81 s PHE 192 Cb -0.24 -0.29 0.13 0.00 -1.21 0.00 0.00 43.02 41.41 1a81 s PHE 192 CO 0.30 -0.92 1.07 -0.48 -1.34 0.00 0.00 175.22 173.85 1a81 s LEU 193 N -3.20 -0.25 -0.05 -1.99 2.34 -0.03 -0.08 118.68 115.42 1a81 s LEU 193 Ca 0.33 0.07 0.05 0.00 0.06 0.00 0.00 54.13 54.65 1a81 s LEU 193 Cb 0.02 1.66 -0.01 0.00 -0.56 0.00 0.00 46.19 47.31 1a81 s LEU 193 CO 0.18 -0.37 -0.21 0.27 -1.06 0.00 0.00 176.35 175.15 1a81 s ILE 194 N -2.35 1.75 0.07 1.48 -4.36 0.23 -1.17 121.20 116.84 1a81 s ILE 194 Ca 0.06 -0.89 0.08 0.00 -0.26 0.00 0.00 60.65 59.64 1a81 s ILE 194 Cb -0.01 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 1a81 s ILE 194 CO -0.05 0.49 -0.21 0.00 0.24 0.00 0.00 174.94 175.41 1a81 s ARG 195 N -0.05 1.28 -0.07 0.37 1.70 -0.82 0.05 118.95 121.41 1a81 s ARG 195 Ca -0.04 -1.05 -0.23 0.00 -0.47 0.00 0.00 55.73 53.95 1a81 s ARG 195 Cb -0.13 -1.47 -0.04 0.00 -0.57 0.00 0.00 34.95 32.74 1a81 s ARG 195 CO 0.03 0.36 0.67 0.00 -1.08 0.00 0.00 175.30 175.28 1a81 s ALA 196 N -0.96 3.36 -2.16 7.88 0.00 -0.89 0.81 121.76 129.80 1a81 s ALA 196 Ca 0.07 0.10 0.19 0.00 0.00 0.00 0.00 51.96 52.32 1a81 s ALA 196 Cb -0.09 -2.91 0.52 0.00 0.00 0.00 0.00 23.12 20.64 1a81 s ALA 196 CO 0.03 -0.08 1.43 2.89 0.00 0.00 0.00 175.76 180.04 1a81 n ARG 197 N 3.70 2.26 -3.45 0.00 -4.01 -1.13 -3.47 116.66 110.57 1a81 n ARG 197 Ca -0.02 -1.94 0.02 0.00 -1.04 0.00 0.00 57.85 54.87 1a81 n ARG 197 Cb 0.51 -1.45 -0.05 0.00 -3.04 0.00 0.00 32.46 28.43 1a81 n ARG 197 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1a81 s ASP 198 N -1.21 -0.23 0.00 2.89 1.11 -1.18 -5.01 116.67 113.05 1a81 s ASP 198 Ca 0.37 0.35 0.00 0.00 0.18 0.00 0.00 52.55 53.45 1a81 s ASP 198 Cb 0.20 1.19 0.00 0.00 1.07 0.00 0.00 42.92 45.38 1a81 s ASP 198 CO 0.27 -0.05 0.00 0.59 1.18 0.00 0.00 175.17 177.16 1a81 n ASN 199 N 4.00 0.00 0.00 0.27 3.02 -1.26 -3.31 115.26 117.98 1a81 n ASN 199 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1a81 n ASN 199 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1a81 n ASN 199 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1a81 n ASN 200 N -0.37 3.82 0.00 6.41 5.15 -1.26 -4.93 115.26 124.08 1a81 n ASN 200 Ca 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1a81 n ASN 200 Cb 0.00 0.82 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 1a81 n ASN 200 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1a81 n GLY 201 N 1.97 -1.56 3.39 8.20 0.00 -1.21 -4.89 105.19 111.10 1a81 n GLY 201 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1a81 n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a81 s SER 202 N -2.52 2.94 0.00 1.61 1.04 -1.25 -3.86 113.70 111.66 1a81 s SER 202 Ca 0.00 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1a81 s SER 202 Cb 0.00 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1a81 s SER 202 CO 0.00 -0.10 0.00 -1.22 0.98 0.00 0.00 173.24 172.90 1a81 n TYR 203 N -0.47 0.00 -3.65 5.02 4.02 -1.15 -2.82 117.16 118.11 1a81 n TYR 203 Ca -0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.67 1a81 n TYR 203 Cb 0.60 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.85 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 -2.00 -1.31 -0.14 -0.72 0.00 0.24 -2.73 121.76 115.10 1a81 s ALA 204 Ca 0.00 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 1a81 s ALA 204 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1a81 s ALA 204 CO 0.00 -0.30 -0.09 -1.17 0.00 0.00 0.00 175.76 174.20 1a81 s LEU 205 N -0.84 2.92 -0.05 0.00 1.98 0.52 -1.95 118.68 121.26 1a81 s LEU 205 Ca -0.09 -0.26 0.05 0.00 -2.89 0.00 0.00 54.13 50.94 1a81 s LEU 205 Cb -0.03 -1.68 -0.01 0.00 0.66 0.00 0.00 46.19 45.14 1a81 s LEU 205 CO 0.06 0.16 -0.20 0.00 -1.89 0.00 0.00 176.35 174.47 1a81 s LEU 207 N -0.04 1.16 -0.16 0.00 2.34 -0.03 -0.85 118.68 121.10 1a81 s LEU 207 Ca -0.04 -0.58 -0.14 0.00 0.06 0.00 0.00 54.13 53.43 1a81 s LEU 207 Cb -0.12 1.24 -0.05 0.00 -0.56 0.00 0.00 46.19 46.70 1a81 s LEU 207 CO 0.03 -0.77 0.31 -0.22 -1.06 0.00 0.00 176.35 174.65 1a81 s LEU 208 N -2.85 4.24 -0.17 1.48 2.96 0.31 0.10 118.68 124.75 1a81 s LEU 208 Ca 0.05 0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 54.44 1a81 s LEU 208 Cb 0.04 -2.41 0.06 0.00 0.50 0.00 0.00 46.19 44.38 1a81 s LEU 208 CO -0.11 0.08 0.08 -2.28 -1.32 0.00 0.00 176.35 172.80 1a81 s HIS 209 N 0.55 0.26 -1.18 5.38 5.65 0.21 0.13 115.29 126.29 1a81 s HIS 209 Ca 0.17 -0.36 -0.19 0.00 0.25 0.00 0.00 55.06 54.94 1a81 s HIS 209 Cb -0.13 -0.72 -0.00 0.00 -1.18 0.00 0.00 32.58 30.54 1a81 s HIS 209 CO 0.05 -0.52 0.74 0.39 -0.65 0.00 0.00 174.74 174.75 1a81 n GLU 210 N 5.26 -1.50 -0.36 2.88 -0.58 -1.26 0.40 120.64 125.48 1a81 n GLU 210 Ca -0.07 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 1a81 n GLU 210 Cb 0.49 -4.08 0.00 0.00 -0.57 0.00 0.00 31.44 27.28 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 -1.75 0.26 3.84 0.62 0.00 -1.26 -4.94 105.19 101.96 1a81 n GLY 211 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.53 3.82 -0.13 1.61 2.20 0.16 -5.08 119.74 121.80 1a81 s LYS 212 Ca 0.00 0.21 -0.19 0.00 -0.36 0.00 0.00 55.97 55.63 1a81 s LYS 212 Cb 0.00 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1a81 s LYS 212 CO 0.00 0.66 0.52 0.54 -0.36 0.00 0.00 175.35 176.71 1a81 s VAL 213 N -0.86 5.15 -0.11 4.02 0.11 -1.26 0.64 120.40 128.10 1a81 s VAL 213 Ca 0.20 1.03 0.02 0.00 -2.93 0.00 0.00 61.98 60.30 1a81 s VAL 213 Cb -0.15 -3.86 -0.01 0.00 -1.53 0.00 0.00 36.38 30.84 1a81 s VAL 213 CO 0.09 0.29 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.20 1a81 s LEU 214 N 0.83 2.40 -0.27 2.54 1.43 0.28 -4.93 118.68 120.96 1a81 s LEU 214 Ca 0.27 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 1a81 s LEU 214 Cb -0.16 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1a81 s LEU 214 CO 0.11 0.18 0.00 -1.00 0.23 0.00 0.00 176.35 175.88 1a81 s HIS 215 N 0.23 3.09 -0.12 0.29 3.76 -1.25 -0.85 115.29 120.44 1a81 s HIS 215 Ca -0.12 -1.25 0.00 0.00 -0.15 0.00 0.00 55.06 53.54 1a81 s HIS 215 Cb -0.16 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.37 1a81 s HIS 215 CO 0.07 -0.64 -0.13 0.71 -0.85 0.00 0.00 174.74 173.89 1a81 s TYR 216 N 1.41 2.80 0.30 1.40 2.02 0.48 -4.97 117.35 120.80 1a81 s TYR 216 Ca 0.02 -0.62 -0.28 0.00 -0.37 0.00 0.00 57.07 55.81 1a81 s TYR 216 Cb -0.17 -1.83 -0.09 0.00 -0.40 0.00 0.00 41.96 39.47 1a81 s TYR 216 CO -0.01 -0.19 1.02 0.50 -1.57 0.00 0.00 175.55 175.29 1a81 s ARG 217 N 0.28 4.60 0.04 -0.62 3.52 -1.26 -0.35 118.95 125.16 1a81 s ARG 217 Ca -0.10 1.58 0.05 0.00 -0.13 0.00 0.00 55.73 57.13 1a81 s ARG 217 Cb -0.16 -3.02 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1a81 s ARG 217 CO 0.06 0.24 -0.16 0.42 -0.81 0.00 0.00 175.30 175.05 1a81 s ILE 218 N -1.34 1.25 0.05 4.11 1.01 -1.10 -4.11 121.20 121.06 1a81 s ILE 218 Ca 0.47 -1.07 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 1a81 s ILE 218 Cb -0.26 -1.12 0.03 0.00 0.01 0.00 0.00 42.46 41.11 1a81 s ILE 218 CO 0.33 0.04 0.35 1.51 0.00 0.00 0.00 174.94 177.17 1a81 s ASP 219 N -1.18 -0.19 -0.32 3.58 1.47 -1.25 -2.95 116.67 115.83 1a81 s ASP 219 Ca 0.03 -0.14 -0.17 0.00 1.18 0.00 0.00 52.55 53.45 1a81 s ASP 219 Cb -0.08 0.39 -0.01 0.00 -0.34 0.00 0.00 42.92 42.88 1a81 s ASP 219 CO 0.01 -0.65 0.48 -0.75 0.68 0.00 0.00 175.17 174.94 1a81 s LYS 220 N -2.63 3.74 0.90 2.11 2.20 -1.25 -1.32 119.74 123.50 1a81 s LYS 220 Ca -0.04 -0.08 -0.14 0.00 -0.36 0.00 0.00 55.97 55.35 1a81 s LYS 220 Cb -0.01 -3.76 0.16 0.00 -1.51 0.00 0.00 37.83 32.72 1a81 s LYS 220 CO -0.04 -0.53 1.26 0.16 -0.36 0.00 0.00 175.35 175.84 1a81 s ASP 221 N 1.71 3.58 0.19 1.43 -4.77 -0.20 -4.80 116.67 113.81 1a81 s ASP 221 Ca 0.18 0.36 -0.05 0.00 -3.30 0.00 0.00 52.55 49.74 1a81 s ASP 221 Cb -0.16 -0.55 0.34 0.00 -1.09 0.00 0.00 42.92 41.46 1a81 s ASP 221 CO 0.12 -2.44 1.06 2.29 0.70 0.00 0.00 175.17 176.89 1a81 n LYS 222 N -3.57 -0.06 0.00 2.11 -0.00 -1.26 0.49 118.16 115.87 1a81 n LYS 222 Ca 0.13 1.05 0.09 0.00 -0.00 0.00 0.00 58.31 59.58 1a81 n LYS 222 Cb 0.60 -1.58 0.48 0.00 -0.00 0.00 0.00 35.03 34.53 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 -5.08 0.27 -1.66 0.58 -1.04 -1.26 -4.83 114.28 101.25 1a81 n THR 223 Ca 0.11 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1a81 n THR 223 Cb 0.36 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 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 0.17 0.37 3.26 3.41 0.00 0.18 -5.03 105.19 107.56 1a81 n GLY 224 Ca 0.11 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.32 3.26 0.31 1.61 1.02 -1.25 -4.86 119.74 116.51 1a81 s LYS 225 Ca 0.00 -0.69 -0.27 0.00 0.02 0.00 0.00 55.97 55.02 1a81 s LYS 225 Cb 0.00 -2.92 -0.09 0.00 -0.52 0.00 0.00 37.83 34.30 1a81 s LYS 225 CO 0.00 -0.22 1.02 -0.51 -0.92 0.00 0.00 175.35 174.72 1a81 s LEU 226 N 1.43 4.43 -0.29 3.17 1.02 -0.70 -1.03 118.68 126.70 1a81 s LEU 226 Ca 0.05 2.05 -0.15 0.00 0.02 0.00 0.00 54.13 56.10 1a81 s LEU 226 Cb -0.14 -3.84 0.15 0.00 0.02 0.00 0.00 46.19 42.37 1a81 s LEU 226 CO -0.05 -0.15 0.94 -0.55 0.02 0.00 0.00 176.35 176.56 1a81 s SER 227 N -1.27 -0.59 0.42 2.29 0.15 -0.43 -0.82 113.70 113.45 1a81 s SER 227 Ca 0.48 0.90 -0.25 0.00 0.70 0.00 0.00 55.95 57.77 1a81 s SER 227 Cb -0.25 1.40 -0.10 0.00 -1.71 0.00 0.00 66.02 65.36 1a81 s SER 227 CO 0.32 -0.14 1.25 -0.38 1.20 0.00 0.00 173.24 175.50 1a81 n ILE 228 N 4.19 2.55 -1.68 6.45 5.41 -1.26 -3.76 119.36 131.26 1a81 n ILE 228 Ca -0.16 -0.50 -0.46 0.00 1.00 0.00 0.00 62.75 62.63 1a81 n ILE 228 Cb 0.56 -1.54 -0.04 0.00 -0.71 0.00 0.00 39.64 37.91 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 0.06 2.23 -0.98 0.38 -0.02 -1.26 0.53 135.00 135.94 1a81 n PRO 229 Ca 0.07 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1a81 n PRO 229 Cb 0.39 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 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 4.42 -0.13 -4.16 -0.52 -0.58 -1.26 -5.01 120.64 113.40 1a81 n GLU 230 Ca 0.18 0.03 -0.24 0.00 -0.42 0.00 0.00 57.16 56.72 1a81 n GLU 230 Cb 0.30 -3.01 -0.07 0.00 -0.57 0.00 0.00 31.44 28.09 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 2.09 1.02 0.62 0.00 0.19 -5.10 107.32 104.14 1a81 s GLY 231 Ca 0.00 -1.95 -0.23 0.00 0.00 0.00 0.00 44.72 42.54 1a81 s GLY 231 CO 0.00 -1.84 -0.99 0.28 0.00 0.00 0.00 173.10 170.55 1a81 n LYS 232 N -1.13 -0.34 -4.37 2.90 4.76 -1.26 -4.46 118.16 114.26 1a81 n LYS 232 Ca -0.03 -0.09 -0.23 0.00 -2.87 0.00 0.00 58.31 55.09 1a81 n LYS 232 Cb 0.62 -1.19 -0.17 0.00 -1.84 0.00 0.00 35.03 32.46 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 -2.39 1.34 0.30 1.97 1.02 -1.26 -4.02 119.74 116.70 1a81 s LYS 233 Ca 0.42 -0.28 0.11 0.00 0.02 0.00 0.00 55.97 56.24 1a81 s LYS 233 Cb -0.01 -1.19 -0.05 0.00 -0.52 0.00 0.00 37.83 36.05 1a81 s LYS 233 CO 0.69 -0.04 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.86 1a81 s PHE 234 N 0.84 2.31 -0.02 3.18 0.40 0.00 -4.72 117.98 119.97 1a81 s PHE 234 Ca -0.12 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1a81 s PHE 234 Cb -0.15 -1.09 -0.00 0.00 0.51 0.00 0.00 43.02 42.29 1a81 s PHE 234 CO 0.01 0.67 0.06 -0.44 0.70 0.00 0.00 175.22 176.23 1a81 h ASP 235 N 2.21 -0.02 -1.17 1.36 5.19 -1.64 -1.85 116.42 120.50 1a81 h ASP 235 Ca -0.40 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.52 1a81 h ASP 235 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 1a81 h ASP 235 CO 0.63 0.11 -0.26 0.42 -3.12 0.00 0.00 179.24 177.02 1a81 s THR 236 N -1.28 2.48 -0.07 0.35 -4.23 -1.26 -4.40 115.64 107.23 1a81 s THR 236 Ca -0.00 -1.17 -0.14 0.00 -1.18 0.00 0.00 61.69 59.20 1a81 s THR 236 Cb 0.00 -2.65 -0.29 0.00 1.34 0.00 0.00 72.50 70.89 1a81 s THR 236 CO 0.01 0.00 0.64 -0.07 -0.54 0.00 0.00 174.62 174.66 1a81 h LEU 237 N 0.65 0.52 -1.92 4.79 3.38 -1.92 -2.07 115.31 118.74 1a81 h LEU 237 Ca -0.37 -0.90 0.52 0.00 0.09 0.00 0.00 57.88 57.22 1a81 h LEU 237 Cb 1.28 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 1a81 h LEU 237 CO 0.49 1.69 1.26 4.11 0.09 0.00 0.00 178.44 186.09 1a81 h TRP 238 N -0.09 0.07 0.00 1.13 5.08 -1.96 0.99 115.95 121.17 1a81 h TRP 238 Ca -0.31 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.65 1a81 h TRP 238 Cb 1.93 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 28.07 1a81 h TRP 238 CO 0.12 -0.03 -0.21 1.96 -1.28 0.00 0.00 178.44 179.00 1a81 h GLN 239 N 0.01 0.00 -0.89 0.12 4.20 -1.88 -3.17 115.11 113.50 1a81 h GLN 239 Ca 0.87 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.66 1a81 h GLN 239 Cb 3.40 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 31.07 1a81 h GLN 239 CO -0.07 0.11 -0.52 -0.11 -0.67 0.00 0.00 178.83 177.57 1a81 n LEU 240 N -4.70 -0.94 0.00 1.46 0.00 0.29 -1.83 117.00 111.27 1a81 n LEU 240 Ca -0.04 1.62 0.00 0.00 0.00 0.00 0.00 56.01 57.58 1a81 n LEU 240 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 43.35 1a81 n LEU 240 CO 0.07 -1.31 0.40 0.52 0.00 0.00 0.00 177.39 177.07 1a81 n VAL 241 N -5.07 0.00 -0.37 1.96 0.31 0.19 -1.84 118.33 113.50 1a81 n VAL 241 Ca 0.02 1.29 0.28 0.00 -0.01 0.00 0.00 64.34 65.92 1a81 n VAL 241 Cb 0.23 -2.07 0.43 0.00 -0.91 0.00 0.00 33.84 31.53 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 -1.74 -0.00 -0.03 5.55 0.00 -1.02 -0.11 120.64 123.28 1a81 n GLU 242 Ca 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 57.16 57.74 1a81 n GLU 242 Cb 0.00 -1.33 -0.00 0.00 0.00 0.00 0.00 31.44 30.11 1a81 n GLU 242 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1a81 h HIS 243 N 0.00 0.00 -0.05 4.31 2.76 -0.59 -3.36 115.15 118.21 1a81 h HIS 243 Ca 0.50 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.69 1a81 h HIS 243 Cb 1.98 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.94 1a81 h HIS 243 CO -0.00 0.00 0.08 1.88 -1.30 0.00 0.00 177.93 178.59 1a81 h TYR 244 N -0.63 0.00 -0.03 5.26 0.05 0.19 0.69 116.97 122.50 1a81 h TYR 244 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1a81 h TYR 244 Cb 0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1a81 h TYR 244 CO -0.03 0.00 0.01 0.43 -1.05 0.00 0.00 178.16 177.53 1a81 n SER 245 N -3.66 1.99 0.00 3.88 7.64 0.76 -3.13 113.62 121.10 1a81 n SER 245 Ca -0.02 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.81 1a81 n SER 245 Cb 0.17 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 0.20 0.00 -3.75 1.43 9.36 0.23 -4.80 117.16 119.83 1a81 n TYR 246 Ca 0.02 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.11 1a81 n TYR 246 Cb 0.40 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.00 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 -1.04 0.32 0.18 2.98 2.20 -0.75 -5.03 119.74 118.60 1a81 s LYS 247 Ca 0.00 0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 55.98 1a81 s LYS 247 Cb 0.00 0.07 0.17 0.00 -1.51 0.00 0.00 37.83 36.56 1a81 s LYS 247 CO 0.00 -0.09 1.76 0.00 -0.36 0.00 0.00 175.35 176.66 1a81 h ALA 248 N 6.25 0.64 -6.91 3.13 0.00 -1.82 -3.36 119.26 117.20 1a81 h ALA 248 Ca -0.31 0.05 -0.58 0.00 0.00 0.00 0.00 54.91 54.07 1a81 h ALA 248 Cb 1.18 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.71 1a81 h ALA 248 CO 0.33 -0.16 -0.87 -3.47 0.00 0.00 0.00 179.25 175.07 1a81 n ASP 249 N -4.96 -2.22 0.00 0.00 2.03 -1.26 -1.96 116.55 108.18 1a81 n ASP 249 Ca 0.05 -1.11 0.00 0.00 0.52 0.00 0.00 54.79 54.25 1a81 n ASP 249 Cb 0.18 -2.30 0.00 0.00 -0.72 0.00 0.00 41.12 38.28 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 -1.44 3.52 3.71 0.27 0.00 -1.26 -4.87 105.19 105.13 1a81 n GLY 250 Ca 0.02 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 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 3.24 0.19 0.99 1.43 -0.83 -4.82 118.68 118.88 1a81 s LEU 251 Ca 0.00 2.40 0.15 0.00 -1.03 0.00 0.00 54.13 55.65 1a81 s LEU 251 Cb 0.00 -4.59 0.75 0.00 0.03 0.00 0.00 46.19 42.37 1a81 s LEU 251 CO 0.00 -2.49 1.46 -0.11 0.23 0.00 0.00 176.35 175.44 1a81 n LEU 252 N -2.98 0.36 0.00 1.79 -0.00 -1.26 -4.78 117.00 110.13 1a81 n LEU 252 Ca 0.14 0.65 -0.01 0.00 -0.00 0.00 0.00 56.01 56.79 1a81 n LEU 252 Cb 0.50 -0.66 0.01 0.00 -0.00 0.00 0.00 43.42 43.27 1a81 n LEU 252 CO 0.48 -0.69 0.49 -2.11 -0.00 0.00 0.00 177.39 175.56 1a81 n ARG 253 N -1.96 0.27 -3.99 1.96 1.85 -1.26 -5.10 116.66 108.42 1a81 n ARG 253 Ca -0.00 -0.68 -0.25 0.00 -1.00 0.00 0.00 57.85 55.92 1a81 n ARG 253 Cb 0.07 0.96 -0.04 0.00 -1.05 0.00 0.00 32.46 32.41 1a81 n ARG 253 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1a81 s VAL 254 N -2.22 5.06 0.41 8.89 0.11 -1.26 -4.61 120.40 126.77 1a81 s VAL 254 Ca 0.14 -0.87 -0.24 0.00 -2.93 0.00 0.00 61.98 58.07 1a81 s VAL 254 Cb -0.01 -3.63 -0.09 0.00 -1.53 0.00 0.00 36.38 31.12 1a81 s VAL 254 CO 0.02 -0.15 1.08 -0.76 -3.33 0.00 0.00 175.10 171.96 1a81 s LEU 255 N -3.36 4.13 0.00 2.54 1.43 -1.18 -4.57 118.68 117.67 1a81 s LEU 255 Ca 0.33 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1a81 s LEU 255 Cb -0.10 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.94 1a81 s LEU 255 CO 0.27 -0.57 0.00 0.35 0.23 0.00 0.00 176.35 176.64 1a81 n THR 256 N -0.11 0.00 -4.17 5.49 -2.24 0.49 -4.56 114.28 109.18 1a81 n THR 256 Ca 0.05 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.48 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 0.09 4.78 -0.48 2.28 -7.23 -1.23 -4.98 120.40 113.64 1a81 s VAL 257 Ca 0.00 -0.07 -0.27 0.00 -1.81 0.00 0.00 61.98 59.83 1a81 s VAL 257 Cb 0.00 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 1a81 s VAL 257 CO 0.00 0.60 1.93 -2.16 -0.31 0.00 0.00 175.10 175.16 1a81 s PRO 258 N -0.87 2.83 0.40 4.82 0.04 -1.26 -1.70 135.00 139.25 1a81 s PRO 258 Ca 0.13 1.07 -0.24 0.00 0.04 0.00 0.00 61.00 62.00 1a81 s PRO 258 Cb -0.12 -4.35 -0.12 0.00 0.04 0.00 0.00 34.50 29.96 1a81 s PRO 258 CO 0.03 -2.47 0.85 0.00 0.04 0.00 0.00 177.00 175.45 1a81 s GLN 260 N -1.79 4.61 0.17 0.00 2.00 -1.26 -4.50 119.66 118.89 1a81 s GLN 260 Ca 0.63 1.22 -0.16 0.00 -2.00 0.00 0.00 55.36 55.05 1a81 s GLN 260 Cb -0.60 -3.19 -0.07 0.00 0.80 0.00 0.00 33.01 29.94 1a81 s GLN 260 CO 0.57 0.52 0.61 -1.59 -0.50 0.00 0.00 175.29 174.91 1a81 s LYS 261 N -1.31 4.08 0.00 1.67 -2.85 -1.26 -4.97 119.74 115.10 1a81 s LYS 261 Ca 0.39 0.63 0.12 0.00 -1.00 0.00 0.00 55.97 56.11 1a81 s LYS 261 Cb -0.23 -2.91 0.74 0.00 -2.06 0.00 0.00 37.83 33.37 1a81 s LYS 261 CO 0.27 0.45 1.17 0.44 0.10 0.00 0.00 175.35 177.77