#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 1.80 -0.27 -0.43 0.00 -1.26 -4.23 120.51 116.11 1a81 n ALA 10 Ca 0.00 -0.01 0.33 0.00 0.00 0.00 0.00 53.44 53.76 1a81 n ALA 10 Cb 0.00 -1.02 0.65 0.00 0.00 0.00 0.00 19.45 19.08 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 0.00 0.00 1.11 0.00 4.21 -2.03 0.37 115.58 119.25 1a81 h ASN 11 Ca 0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 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 -0.68 1.12 -1.29 0.00 0.00 177.43 176.58 1a81 h HIS 12 N 0.00 0.00 -1.92 1.19 2.07 -1.97 -3.43 115.15 111.08 1a81 h HIS 12 Ca 0.54 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 57.50 1a81 h HIS 12 Cb 2.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.53 1a81 h HIS 12 CO 0.00 0.68 1.52 -0.51 -3.07 0.00 0.00 177.93 176.55 1a81 s LEU 13 N -6.77 3.43 0.00 6.12 1.43 0.13 -4.81 118.68 118.20 1a81 s LEU 13 Ca 0.02 1.59 0.04 0.00 -1.03 0.00 0.00 54.13 54.74 1a81 s LEU 13 Cb 0.10 -3.20 0.17 0.00 0.03 0.00 0.00 46.19 43.28 1a81 s LEU 13 CO 0.77 -2.23 1.00 -0.81 0.23 0.00 0.00 176.35 175.31 1a81 n PRO 14 N 8.83 0.03 -0.63 1.29 -0.04 -1.26 -0.98 135.00 142.24 1a81 n PRO 14 Ca 0.31 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 64.15 1a81 n PRO 14 Cb 0.48 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.36 1.37 -3.87 0.54 -1.74 -1.26 -0.19 117.46 110.95 1a81 n PHE 15 Ca 0.01 -0.93 -0.35 0.00 -0.56 0.00 0.00 57.45 55.62 1a81 n PHE 15 Cb 0.03 -0.41 -0.14 0.00 1.52 0.00 0.00 39.48 40.48 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 -2.87 3.01 -0.48 2.97 5.36 -0.15 -0.75 117.98 125.07 1a81 s PHE 16 Ca 0.47 -0.89 -0.11 0.00 -0.96 0.00 0.00 56.93 55.44 1a81 s PHE 16 Cb 0.37 -2.14 0.11 0.00 -0.34 0.00 0.00 43.02 41.02 1a81 s PHE 16 CO 0.10 -0.53 0.37 -0.06 -1.46 0.00 0.00 175.22 173.64 1a81 s PHE 17 N 1.50 3.36 0.00 10.12 0.08 -0.25 -4.54 117.98 128.25 1a81 s PHE 17 Ca 0.05 -1.63 0.00 0.00 0.12 0.00 0.00 56.93 55.47 1a81 s PHE 17 Cb -0.15 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 1a81 s PHE 17 CO -0.02 -0.96 0.00 0.41 -0.10 0.00 0.00 175.22 174.55 1a81 n GLY 18 N 5.00 0.00 3.43 4.36 0.00 -1.26 -3.91 105.19 112.81 1a81 n GLY 18 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.05 6.53 0.41 1.61 3.84 0.19 -2.12 114.94 125.34 1a81 s ASN 19 Ca 0.00 -1.90 0.08 0.00 0.21 0.00 0.00 52.86 51.25 1a81 s ASN 19 Cb 0.00 -2.37 -0.01 0.00 -0.55 0.00 0.00 41.25 38.33 1a81 s ASN 19 CO 0.00 -1.06 0.47 -0.63 -2.79 0.00 0.00 177.10 173.09 1a81 s ILE 20 N 2.57 2.91 0.14 -5.21 1.09 -1.25 -4.62 121.20 116.84 1a81 s ILE 20 Ca 0.27 -1.16 0.04 0.00 -1.10 0.00 0.00 60.65 58.70 1a81 s ILE 20 Cb -0.09 -3.02 -0.04 0.00 -1.06 0.00 0.00 42.46 38.24 1a81 s ILE 20 CO -0.05 -0.01 0.13 0.28 -0.10 0.00 0.00 174.94 175.19 1a81 s THR 21 N -2.39 4.57 0.05 2.92 -1.32 -1.26 -4.94 115.64 113.27 1a81 s THR 21 Ca 0.51 -0.96 -0.11 0.00 -1.21 0.00 0.00 61.69 59.92 1a81 s THR 21 Cb -0.07 -3.30 -0.02 0.00 -1.51 0.00 0.00 72.50 67.59 1a81 s THR 21 CO 0.31 -0.04 1.18 -0.09 -2.21 0.00 0.00 174.62 173.76 1a81 h ARG 22 N 2.62 -0.00 -0.69 7.08 2.43 -2.00 -0.81 114.38 123.02 1a81 h ARG 22 Ca -0.47 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 58.84 1a81 h ARG 22 Cb 1.19 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.61 1a81 h ARG 22 CO 0.64 -0.00 -0.10 0.93 -1.51 0.00 0.00 179.97 179.93 1a81 h GLU 23 N -0.00 0.04 -0.66 0.20 3.07 -2.00 0.70 114.58 115.94 1a81 h GLU 23 Ca 0.05 -0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.10 1a81 h GLU 23 Cb 0.14 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 1a81 h GLU 23 CO -0.32 0.03 0.47 1.49 -1.40 0.00 0.00 179.01 179.28 1a81 h GLU 24 N 0.04 0.00 0.01 2.33 4.81 -1.55 -1.94 114.58 118.28 1a81 h GLU 24 Ca 0.35 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1a81 h GLU 24 Cb 0.56 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1a81 h GLU 24 CO -0.67 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 177.61 1a81 h ALA 25 N 1.67 -0.02 -1.02 2.92 0.00 -0.33 -2.77 119.26 119.72 1a81 h ALA 25 Ca 0.31 -0.39 0.25 0.00 0.00 0.00 0.00 54.91 55.08 1a81 h ALA 25 Cb 1.25 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1a81 h ALA 25 CO -0.00 -0.10 0.64 0.93 0.00 0.00 0.00 179.25 180.72 1a81 h GLU 26 N -0.84 0.48 0.65 0.00 5.08 -0.98 0.22 114.58 119.19 1a81 h GLU 26 Ca -0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1a81 h GLU 26 Cb 0.78 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1a81 h GLU 26 CO 0.00 0.32 -0.31 -0.44 -1.00 0.00 0.00 179.01 177.58 1a81 h ASP 27 N 0.49 -0.74 -0.96 1.42 3.32 -1.34 -1.72 116.42 116.89 1a81 h ASP 27 Ca 0.60 0.03 0.27 0.00 0.02 0.00 0.00 57.03 57.95 1a81 h ASP 27 Cb 1.34 0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.94 1a81 h ASP 27 CO -0.35 -0.53 0.47 1.88 -1.72 0.00 0.00 179.24 178.99 1a81 h TYR 28 N -0.87 0.77 -0.45 4.55 0.05 -0.47 1.19 116.97 121.73 1a81 h TYR 28 Ca -0.09 0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.78 1a81 h TYR 28 Cb 0.67 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 38.18 1a81 h TYR 28 CO 0.08 -0.12 0.18 -0.07 -1.05 0.00 0.00 178.16 177.18 1a81 h LEU 29 N 0.36 0.21 -0.17 3.88 3.38 0.14 1.79 115.31 124.89 1a81 h LEU 29 Ca 0.65 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.56 1a81 h LEU 29 Cb 1.37 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1a81 h LEU 29 CO -0.58 0.15 -0.32 -0.37 0.09 0.00 0.00 178.44 177.41 1a81 h VAL 30 N 0.36 1.35 0.00 1.22 -1.51 0.07 1.16 116.25 118.90 1a81 h VAL 30 Ca 0.21 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 1a81 h VAL 30 Cb 0.18 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1a81 h VAL 30 CO -0.20 0.47 0.00 0.00 -1.23 0.00 0.00 177.57 176.62 1a81 n GLN 31 N -4.35 0.00 -0.01 5.19 -0.00 0.38 -0.78 117.38 117.80 1a81 n GLN 31 Ca -0.06 0.35 0.03 0.00 -0.00 0.00 0.00 57.00 57.32 1a81 n GLN 31 Cb 0.49 -1.50 -0.07 0.00 -0.00 0.00 0.00 30.24 29.15 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 -1.35 -0.41 0.00 2.61 0.00 0.60 -4.99 105.19 101.65 1a81 n GLY 32 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 2.07 1.38 2.79 -0.02 0.00 0.37 -4.82 105.19 106.96 1a81 n GLY 33 Ca -0.04 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.71 -2.12 1.61 1.56 0.29 -4.88 117.12 111.86 1a81 n MET 34 Ca 0.00 0.89 -0.42 0.00 -0.27 0.00 0.00 57.70 57.90 1a81 n MET 34 Cb 0.00 -5.33 -0.03 0.00 2.15 0.00 0.00 33.22 30.01 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 -2.41 6.78 0.23 6.12 1.04 -1.26 -4.23 113.70 119.97 1a81 s SER 35 Ca 0.00 2.41 -0.29 0.00 0.48 0.00 0.00 55.95 58.55 1a81 s SER 35 Cb 0.00 -2.59 -0.16 0.00 0.10 0.00 0.00 66.02 63.37 1a81 s SER 35 CO 0.00 -0.67 0.85 0.47 0.98 0.00 0.00 173.24 174.87 1a81 n ASP 36 N 3.64 0.29 0.00 7.02 8.00 -1.25 -1.17 116.55 133.08 1a81 n ASP 36 Ca 0.11 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.76 1a81 n ASP 36 Cb 0.42 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 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 1.63 0.79 3.73 0.44 0.00 0.21 -4.76 105.19 107.23 1a81 n GLY 37 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 4.46 0.10 0.99 0.20 -0.32 -0.72 118.68 123.39 1a81 s LEU 38 Ca 0.00 1.89 -0.10 0.00 0.69 0.00 0.00 54.13 56.61 1a81 s LEU 38 Cb 0.00 -3.59 0.01 0.00 -0.43 0.00 0.00 46.19 42.18 1a81 s LEU 38 CO 0.00 -0.19 0.24 -0.72 -0.29 0.00 0.00 176.35 175.39 1a81 s TYR 39 N 0.20 0.09 0.08 5.38 1.13 0.85 0.90 117.35 125.98 1a81 s TYR 39 Ca 0.50 -0.49 -0.13 0.00 -1.41 0.00 0.00 57.07 55.54 1a81 s TYR 39 Cb -0.26 0.01 0.02 0.00 -1.10 0.00 0.00 41.96 40.64 1a81 s TYR 39 CO 0.31 -0.59 0.31 -0.48 -2.51 0.00 0.00 175.55 172.59 1a81 s LEU 40 N -2.85 0.84 -0.07 -3.49 0.05 -0.65 0.11 118.68 112.61 1a81 s LEU 40 Ca 0.05 -0.35 0.05 0.00 0.05 0.00 0.00 54.13 53.94 1a81 s LEU 40 Cb 0.04 1.45 -0.01 0.00 -2.05 0.00 0.00 46.19 45.63 1a81 s LEU 40 CO -0.11 -0.73 -0.24 -0.22 -0.55 0.00 0.00 176.35 174.50 1a81 s LEU 41 N -2.53 2.11 0.04 1.48 0.20 0.07 -2.48 118.68 117.57 1a81 s LEU 41 Ca 0.00 -0.51 -0.00 0.00 0.69 0.00 0.00 54.13 54.31 1a81 s LEU 41 Cb 0.02 -1.39 -0.03 0.00 -0.43 0.00 0.00 46.19 44.35 1a81 s LEU 41 CO -0.08 0.22 -0.04 0.00 -0.29 0.00 0.00 176.35 176.16 1a81 s ARG 42 N -0.02 0.52 0.41 1.98 1.04 -0.67 -1.09 118.95 121.11 1a81 s ARG 42 Ca -0.08 -0.99 -0.26 0.00 -1.04 0.00 0.00 55.73 53.37 1a81 s ARG 42 Cb -0.15 0.12 -0.08 0.00 -2.04 0.00 0.00 34.95 32.79 1a81 s ARG 42 CO 0.05 -0.07 1.25 -1.14 -0.04 0.00 0.00 175.30 175.34 1a81 s GLN 43 N -2.92 3.98 0.72 3.89 0.74 -0.90 0.11 119.66 125.29 1a81 s GLN 43 Ca -0.02 2.02 -0.13 0.00 0.05 0.00 0.00 55.36 57.29 1a81 s GLN 43 Cb 0.00 -2.71 0.03 0.00 1.10 0.00 0.00 33.01 31.43 1a81 s GLN 43 CO -0.06 -0.43 1.10 0.45 -0.55 0.00 0.00 175.29 175.80 1a81 s SER 44 N -0.91 4.72 0.00 6.67 0.15 -0.99 -4.58 113.70 118.76 1a81 s SER 44 Ca 0.57 1.93 0.00 0.00 0.70 0.00 0.00 55.95 59.15 1a81 s SER 44 Cb -0.35 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 1a81 s SER 44 CO 0.44 -1.89 0.34 0.54 1.20 0.00 0.00 173.24 173.88 1a81 n ARG 45 N -3.02 -0.59 0.00 5.44 1.74 -1.26 -4.70 116.66 114.27 1a81 n ARG 45 Ca 0.10 -0.35 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 1a81 n ARG 45 Cb 0.52 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 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 -0.01 0.27 -3.96 0.55 6.94 -1.26 -4.85 115.26 112.94 1a81 n ASN 46 Ca 0.00 -0.60 -0.25 0.00 -0.02 0.00 0.00 54.58 53.71 1a81 n ASN 46 Cb 0.09 0.38 -0.17 0.00 -2.36 0.00 0.00 39.78 37.72 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 -0.38 1.40 0.56 -2.53 2.02 -1.26 -1.19 117.35 115.96 1a81 s TYR 47 Ca 0.00 -0.58 -0.19 0.00 -0.37 0.00 0.00 57.07 55.92 1a81 s TYR 47 Cb 0.00 -1.10 -0.07 0.00 -0.40 0.00 0.00 41.96 40.39 1a81 s TYR 47 CO 0.00 -0.36 0.85 1.28 -1.57 0.00 0.00 175.55 175.75 1a81 n LEU 48 N 4.29 2.67 0.00 -1.29 7.99 -1.26 -1.92 117.00 127.48 1a81 n LEU 48 Ca -0.19 0.83 0.00 0.00 -0.01 0.00 0.00 56.01 56.64 1a81 n LEU 48 Cb 0.51 -1.32 0.00 0.00 -0.11 0.00 0.00 43.42 42.50 1a81 n LEU 48 CO 0.22 -2.12 0.00 0.61 -1.51 0.00 0.00 177.39 174.59 1a81 n GLY 49 N 1.41 0.00 3.07 -0.72 0.00 -1.26 -4.65 105.19 103.04 1a81 n GLY 49 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.70 3.43 -0.02 0.00 -0.81 -4.67 105.19 102.02 1a81 n GLY 50 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.21 0.54 0.04 1.61 0.40 0.42 -2.35 117.98 115.43 1a81 s PHE 51 Ca 0.60 -0.87 0.03 0.00 -0.60 0.00 0.00 56.93 56.10 1a81 s PHE 51 Cb -0.02 -0.04 -0.02 0.00 0.51 0.00 0.00 43.02 43.45 1a81 s PHE 51 CO 0.43 -0.84 -0.10 0.00 0.70 0.00 0.00 175.22 175.41 1a81 s ALA 52 N -4.03 0.78 -0.17 5.36 0.00 0.31 0.44 121.76 124.44 1a81 s ALA 52 Ca 0.24 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1a81 s ALA 52 Cb 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1a81 s ALA 52 CO 0.07 0.08 -0.17 -1.17 0.00 0.00 0.00 175.76 174.56 1a81 s LEU 53 N -1.35 2.31 -0.19 0.00 0.20 0.65 -1.67 118.68 118.64 1a81 s LEU 53 Ca -0.05 -0.56 -0.00 0.00 0.69 0.00 0.00 54.13 54.21 1a81 s LEU 53 Cb -0.09 -1.53 0.01 0.00 -0.43 0.00 0.00 46.19 44.16 1a81 s LEU 53 CO 0.01 0.04 -0.16 -0.44 -0.29 0.00 0.00 176.35 175.50 1a81 s SER 54 N 1.08 3.42 -0.01 3.68 0.01 -1.03 0.21 113.70 121.06 1a81 s SER 54 Ca -0.00 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.70 1a81 s SER 54 Cb -0.14 -1.54 -0.00 0.00 0.21 0.00 0.00 66.02 64.54 1a81 s SER 54 CO -0.06 0.00 -0.08 0.68 0.41 0.00 0.00 173.24 174.19 1a81 s VAL 55 N 1.30 0.64 -0.31 3.43 -7.23 0.80 -1.64 120.40 117.39 1a81 s VAL 55 Ca 0.04 -0.33 -0.22 0.00 -1.81 0.00 0.00 61.98 59.66 1a81 s VAL 55 Cb -0.13 -0.55 -0.00 0.00 0.56 0.00 0.00 36.38 36.25 1a81 s VAL 55 CO -0.10 0.19 0.72 0.00 -0.31 0.00 0.00 175.10 175.60 1a81 s ALA 56 N -0.07 3.52 -0.21 1.32 0.00 0.26 -1.35 121.76 125.23 1a81 s ALA 56 Ca 0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1a81 s ALA 56 Cb -0.05 -3.23 0.10 0.00 0.00 0.00 0.00 23.12 19.95 1a81 s ALA 56 CO -0.00 -1.19 0.25 -1.58 0.00 0.00 0.00 175.76 173.24 1a81 s HIS 57 N 2.83 -0.37 0.00 0.00 5.04 -0.98 0.68 115.29 122.49 1a81 s HIS 57 Ca 0.29 0.29 0.00 0.00 -1.54 0.00 0.00 55.06 54.10 1a81 s HIS 57 Cb -0.14 -0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.17 1a81 s HIS 57 CO 0.13 -0.64 0.00 0.41 -2.34 0.00 0.00 174.74 172.30 1a81 n GLY 58 N 5.33 0.83 4.96 1.59 0.00 -1.26 -3.51 105.19 113.12 1a81 n GLY 58 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1a81 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a81 n ARG 59 N -0.60 0.00 -3.05 1.61 3.00 -1.26 -4.88 116.66 111.49 1a81 n ARG 59 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.66 1a81 n ARG 59 Cb 0.48 -3.95 0.01 0.00 0.00 0.00 0.00 32.46 29.00 1a81 n ARG 59 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1a81 s LYS 60 N -0.00 2.86 -0.07 5.56 1.02 -1.23 -5.09 119.74 122.79 1a81 s LYS 60 Ca 0.00 -1.06 0.05 0.00 0.02 0.00 0.00 55.97 54.98 1a81 s LYS 60 Cb 0.00 -2.71 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1a81 s LYS 60 CO 0.00 -0.27 -0.22 0.00 -0.92 0.00 0.00 175.35 173.94 1a81 s ALA 61 N -2.39 1.96 -0.12 5.17 0.00 -1.26 -2.32 121.76 122.79 1a81 s ALA 61 Ca 0.53 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1a81 s ALA 61 Cb -0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1a81 s ALA 61 CO 0.34 0.33 -0.16 -1.01 0.00 0.00 0.00 175.76 175.26 1a81 s HIS 62 N 0.07 2.75 -0.30 0.00 0.09 -0.45 -4.97 115.29 112.48 1a81 s HIS 62 Ca -0.09 -0.73 -0.05 0.00 -0.00 0.00 0.00 55.06 54.19 1a81 s HIS 62 Cb -0.15 -1.81 0.03 0.00 -0.00 0.00 0.00 32.58 30.65 1a81 s HIS 62 CO 0.05 -0.26 0.05 -1.01 -0.00 0.00 0.00 174.74 173.57 1a81 s HIS 63 N 0.34 3.18 -0.18 1.40 3.76 -1.25 -0.14 115.29 122.40 1a81 s HIS 63 Ca -0.13 -1.36 -0.01 0.00 -0.15 0.00 0.00 55.06 53.42 1a81 s HIS 63 Cb -0.16 -2.20 0.00 0.00 1.11 0.00 0.00 32.58 31.33 1a81 s HIS 63 CO 0.06 -0.69 -0.14 0.71 -0.85 0.00 0.00 174.74 173.84 1a81 s TYR 64 N 1.40 2.83 -0.27 1.40 2.02 0.58 -4.94 117.35 120.36 1a81 s TYR 64 Ca -0.00 -1.17 -0.19 0.00 -0.37 0.00 0.00 57.07 55.33 1a81 s TYR 64 Cb -0.18 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.41 1a81 s TYR 64 CO 0.01 -0.58 0.58 -0.08 -1.57 0.00 0.00 175.55 173.91 1a81 s THR 65 N 1.10 5.01 -0.43 -0.71 -1.32 -1.26 0.24 115.64 118.27 1a81 s THR 65 Ca 0.00 0.93 -0.17 0.00 -1.21 0.00 0.00 61.69 61.24 1a81 s THR 65 Cb -0.14 -3.91 0.03 0.00 -1.51 0.00 0.00 72.50 66.96 1a81 s THR 65 CO -0.04 -0.00 0.44 -0.63 -2.21 0.00 0.00 174.62 172.18 1a81 s ILE 66 N 2.45 5.08 0.21 5.08 1.01 0.17 -3.94 121.20 131.27 1a81 s ILE 66 Ca 0.24 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 1a81 s ILE 66 Cb -0.15 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.19 1a81 s ILE 66 CO 0.10 -0.45 0.60 -1.61 0.00 0.00 0.00 174.94 173.58 1a81 s GLU 67 N 2.14 3.95 -0.32 2.79 2.02 -1.13 -0.43 118.70 127.71 1a81 s GLU 67 Ca 0.12 0.48 -0.18 0.00 0.02 0.00 0.00 54.97 55.41 1a81 s GLU 67 Cb -0.17 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 1a81 s GLU 67 CO 0.13 0.36 0.49 -0.98 0.02 0.00 0.00 175.26 175.28 1a81 s ARG 68 N -2.45 3.75 0.47 1.61 1.04 -1.26 -1.28 118.95 120.83 1a81 s ARG 68 Ca 0.45 -0.05 -0.22 0.00 -1.04 0.00 0.00 55.73 54.86 1a81 s ARG 68 Cb -0.13 -3.76 -0.07 0.00 -2.04 0.00 0.00 34.95 28.95 1a81 s ARG 68 CO 0.20 -0.54 1.15 -1.21 -0.04 0.00 0.00 175.30 174.85 1a81 s GLU 69 N 2.33 3.71 0.52 3.89 0.41 0.29 -4.89 118.70 124.96 1a81 s GLU 69 Ca 0.19 1.71 0.25 0.00 -0.41 0.00 0.00 54.97 56.71 1a81 s GLU 69 Cb -0.16 -2.33 1.36 0.00 -1.78 0.00 0.00 34.13 31.23 1a81 s GLU 69 CO 0.12 -0.58 1.96 -0.07 -0.49 0.00 0.00 175.26 176.21 1a81 h LEU 70 N 1.90 0.06 0.00 1.80 4.07 -1.97 1.13 115.31 122.31 1a81 h LEU 70 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1a81 h LEU 70 Cb 1.25 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1a81 h LEU 70 CO 0.60 0.03 0.00 0.59 -1.08 0.00 0.00 178.44 178.58 1a81 n ASN 71 N -4.37 0.00 0.00 -0.43 3.02 -1.26 -4.74 115.26 107.48 1a81 n ASN 71 Ca 0.12 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1a81 n ASN 71 Cb 0.66 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.94 0.47 3.58 7.41 0.00 0.39 -5.05 105.19 111.05 1a81 n GLY 72 Ca 0.02 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.00 3.20 0.17 2.61 -4.23 -1.15 -4.90 115.64 109.33 1a81 s THR 73 Ca 0.00 -1.83 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 1a81 s THR 73 Cb 0.00 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1a81 s THR 73 CO 0.00 -0.23 0.02 -0.31 -0.54 0.00 0.00 174.62 173.56 1a81 s TYR 74 N -2.00 2.91 -0.30 3.99 2.02 0.06 0.11 117.35 124.14 1a81 s TYR 74 Ca 0.28 -0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.73 1a81 s TYR 74 Cb -0.08 -1.41 0.14 0.00 -0.40 0.00 0.00 41.96 40.22 1a81 s TYR 74 CO 0.17 0.52 0.84 0.00 -1.57 0.00 0.00 175.55 175.51 1a81 s ALA 75 N -1.71 -2.35 0.27 3.71 0.00 -0.40 0.88 121.76 122.14 1a81 s ALA 75 Ca 0.28 2.21 -0.30 0.00 0.00 0.00 0.00 51.96 54.14 1a81 s ALA 75 Cb -0.10 -1.86 -0.11 0.00 0.00 0.00 0.00 23.12 21.05 1a81 s ALA 75 CO 0.19 -0.82 1.60 0.42 0.00 0.00 0.00 175.76 177.16 1a81 s ILE 76 N 2.39 2.14 0.22 0.00 1.01 -1.26 -2.83 121.20 122.88 1a81 s ILE 76 Ca -0.05 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 1a81 s ILE 76 Cb -0.08 -3.07 -0.15 0.00 0.01 0.00 0.00 42.46 39.17 1a81 s ILE 76 CO -0.18 0.02 1.03 0.00 0.00 0.00 0.00 174.94 175.81 1a81 n ALA 77 N 2.63 -0.83 -0.21 9.38 0.00 -1.25 -2.09 120.51 128.14 1a81 n ALA 77 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1a81 n ALA 77 Cb 0.37 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 1.69 0.61 3.35 0.00 0.00 -1.26 -5.07 105.19 104.51 1a81 n GLY 78 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1a81 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a81 s GLY 79 N -1.23 2.42 0.21 -0.02 0.00 -0.89 -5.11 107.32 102.70 1a81 s GLY 79 Ca 0.00 -1.83 -0.30 0.00 0.00 0.00 0.00 44.72 42.59 1a81 s GLY 79 CO 0.00 -1.57 0.85 -2.13 0.00 0.00 0.00 173.10 170.26 1a81 n ARG 80 N -0.70 0.70 -3.30 2.90 0.63 -1.26 -4.78 116.66 110.85 1a81 n ARG 80 Ca 0.04 0.25 -0.38 0.00 -0.92 0.00 0.00 57.85 56.84 1a81 n ARG 80 Cb 0.63 -1.51 -0.06 0.00 0.45 0.00 0.00 32.46 31.97 1a81 n ARG 80 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1a81 s THR 81 N -0.80 5.17 0.23 5.15 -4.23 -1.26 -4.64 115.64 115.26 1a81 s THR 81 Ca 0.66 0.98 0.07 0.00 -1.18 0.00 0.00 61.69 62.22 1a81 s THR 81 Cb -0.86 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.12 1a81 s THR 81 CO 0.57 0.33 0.14 -1.00 -0.54 0.00 0.00 174.62 174.11 1a81 s HIS 82 N 0.58 3.04 0.04 3.99 0.09 0.25 -4.92 115.29 118.36 1a81 s HIS 82 Ca 0.27 -0.10 -0.31 0.00 -0.00 0.00 0.00 55.06 54.91 1a81 s HIS 82 Cb -0.15 -1.40 -0.17 0.00 -0.00 0.00 0.00 32.58 30.86 1a81 s HIS 82 CO 0.11 0.53 1.35 0.00 -0.00 0.00 0.00 174.74 176.73 1a81 h ALA 83 N 1.88 -1.19 -2.22 -1.40 0.00 -1.95 0.22 119.26 114.60 1a81 h ALA 83 Ca -0.48 -0.24 -0.35 0.00 0.00 0.00 0.00 54.91 53.84 1a81 h ALA 83 Cb 1.23 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 19.30 1a81 h ALA 83 CO 0.61 -1.11 -0.69 -1.54 0.00 0.00 0.00 179.25 176.53 1a81 s SER 84 N -3.97 1.82 0.19 0.00 1.04 -1.26 -4.09 113.70 107.42 1a81 s SER 84 Ca -0.16 -1.11 -0.11 0.00 0.48 0.00 0.00 55.95 55.04 1a81 s SER 84 Cb 0.02 -0.00 0.17 0.00 0.10 0.00 0.00 66.02 66.31 1a81 s SER 84 CO 0.48 -0.42 1.81 1.55 0.98 0.00 0.00 173.24 177.65 1a81 h PRO 85 N 2.63 0.62 -1.02 4.02 0.13 -1.95 -1.65 132.00 134.78 1a81 h PRO 85 Ca -0.37 -0.04 0.24 0.00 -0.87 0.00 0.00 66.00 64.96 1a81 h PRO 85 Cb 1.21 -0.14 -0.10 0.00 0.13 0.00 0.00 31.00 32.09 1a81 h PRO 85 CO 0.64 0.41 0.63 0.00 -0.23 0.00 0.00 178.00 179.45 1a81 h ALA 86 N 1.29 2.00 0.47 -0.56 0.00 -1.99 0.12 119.26 120.59 1a81 h ALA 86 Ca 0.25 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1a81 h ALA 86 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1a81 h ALA 86 CO -0.14 -0.41 -0.23 -0.44 0.00 0.00 0.00 179.25 178.03 1a81 h ASP 87 N 0.52 -0.53 -0.66 0.00 3.32 -1.73 -1.22 116.42 116.11 1a81 h ASP 87 Ca 0.60 0.02 0.16 0.00 0.02 0.00 0.00 57.03 57.83 1a81 h ASP 87 Cb 1.30 0.14 -0.13 0.00 0.22 0.00 0.00 39.33 40.87 1a81 h ASP 87 CO -0.36 -0.27 -0.07 -0.11 -1.72 0.00 0.00 179.24 176.71 1a81 n LEU 88 N -4.32 -0.15 0.00 1.55 -0.00 -0.17 0.19 117.00 114.09 1a81 n LEU 88 Ca -0.08 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 57.07 1a81 n LEU 88 Cb 0.25 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 1a81 n LEU 88 CO 0.19 -1.12 0.39 0.00 -0.00 0.00 0.00 177.39 176.85 1a81 n HIS 90 N -1.44 0.06 0.30 0.00 8.25 0.15 0.59 115.22 123.12 1a81 n HIS 90 Ca 0.00 0.59 -0.14 0.00 -0.26 0.00 0.00 57.72 57.90 1a81 n HIS 90 Cb 0.00 -0.71 -0.07 0.00 1.12 0.00 0.00 29.99 30.33 1a81 n HIS 90 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1a81 h TYR 91 N 0.00 -1.00 0.00 4.41 3.20 0.23 -0.45 116.97 123.37 1a81 h TYR 91 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1a81 h TYR 91 Cb 0.30 0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1a81 h TYR 91 CO -0.40 -0.54 0.00 0.72 -1.64 0.00 0.00 178.16 176.30 1a81 n HIS 92 N -4.69 0.00 0.28 -3.82 8.25 0.20 -0.28 115.22 115.15 1a81 n HIS 92 Ca -0.11 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.51 1a81 n HIS 92 Cb 0.37 -0.35 0.58 0.00 1.12 0.00 0.00 29.99 31.70 1a81 n HIS 92 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1a81 h SER 93 N 0.00 0.00 0.00 0.41 4.64 0.11 -3.10 113.55 115.61 1a81 h SER 93 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a81 h SER 93 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1a81 h SER 93 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1a81 n GLN 94 N -3.03 6.20 -3.54 4.77 1.13 0.61 -4.48 117.38 119.05 1a81 n GLN 94 Ca 0.01 -0.04 -0.17 0.00 -1.94 0.00 0.00 57.00 54.87 1a81 n GLN 94 Cb 0.34 -0.53 -0.13 0.00 0.11 0.00 0.00 30.24 30.04 1a81 n GLN 94 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1a81 s GLU 95 N -0.90 0.16 0.20 -1.09 2.12 -0.86 -5.02 118.70 113.33 1a81 s GLU 95 Ca 0.00 0.35 -0.18 0.00 0.36 0.00 0.00 54.97 55.50 1a81 s GLU 95 Cb 0.00 -0.86 0.18 0.00 0.26 0.00 0.00 34.13 33.71 1a81 s GLU 95 CO 0.00 -0.54 1.59 0.66 -0.54 0.00 0.00 175.26 176.42 1a81 h SER 96 N 8.31 -1.07 -7.08 -1.70 4.64 -1.85 -3.38 113.55 111.42 1a81 h SER 96 Ca -0.16 0.23 -0.47 0.00 -0.47 0.00 0.00 61.79 60.92 1a81 h SER 96 Cb 1.14 0.57 -0.02 0.00 -0.31 0.00 0.00 62.40 63.78 1a81 h SER 96 CO 0.24 -0.29 -0.79 -0.67 -0.87 0.00 0.00 176.83 174.45 1a81 n ASP 97 N -5.45 -3.13 0.00 4.97 2.03 -1.26 -0.65 116.55 113.06 1a81 n ASP 97 Ca 0.06 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.36 1a81 n ASP 97 Cb 0.37 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1a81 n ASP 97 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a81 n GLY 98 N -1.85 2.76 3.65 0.27 0.00 -1.26 -5.03 105.19 103.73 1a81 n GLY 98 Ca -0.09 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 4.14 0.28 0.99 7.99 0.18 -4.81 117.00 125.77 1a81 n LEU 99 Ca 0.00 0.85 0.19 0.00 -0.01 0.00 0.00 56.01 57.04 1a81 n LEU 99 Cb 0.00 -1.43 0.91 0.00 -0.11 0.00 0.00 43.42 42.79 1a81 n LEU 99 CO 0.00 -1.55 1.05 -0.37 -1.51 0.00 0.00 177.39 175.02 1a81 h VAL 100 N 0.71 0.00 -2.56 4.08 -1.51 -1.96 -3.46 116.25 111.56 1a81 h VAL 100 Ca -0.49 -0.18 0.07 0.00 -1.23 0.00 0.00 66.70 64.88 1a81 h VAL 100 Cb 1.35 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 1a81 h VAL 100 CO 0.52 0.00 0.39 0.00 -1.23 0.00 0.00 177.57 177.25 1a81 s LEU 102 N 0.00 4.10 -0.88 0.00 2.01 -1.26 -4.72 118.68 117.93 1a81 s LEU 102 Ca 0.17 1.07 -0.19 0.00 0.01 0.00 0.00 54.13 55.18 1a81 s LEU 102 Cb -0.03 -3.86 0.12 0.00 0.01 0.00 0.00 46.19 42.43 1a81 s LEU 102 CO 0.07 -0.15 1.10 -0.76 1.01 0.00 0.00 176.35 177.62 1a81 s LEU 103 N -2.98 4.90 0.01 1.79 1.43 -1.17 -4.31 118.68 118.35 1a81 s LEU 103 Ca 0.50 -1.85 -0.19 0.00 -1.03 0.00 0.00 54.13 51.57 1a81 s LEU 103 Cb -0.11 -2.41 -0.25 0.00 0.03 0.00 0.00 46.19 43.46 1a81 s LEU 103 CO 0.21 -1.14 1.09 0.11 0.23 0.00 0.00 176.35 176.85 1a81 h LYS 104 N 8.99 0.47 -3.95 1.70 1.79 -1.69 -3.42 116.57 120.45 1a81 h LYS 104 Ca 0.08 -0.54 -0.45 0.00 -2.18 0.00 0.00 60.65 57.56 1a81 h LYS 104 Cb 1.03 0.16 -0.36 0.00 -1.58 0.00 0.00 32.23 31.48 1a81 h LYS 104 CO 1.13 1.18 -0.78 0.21 -1.08 0.00 0.00 179.45 180.12 1a81 s LYS 105 N -3.12 0.91 0.47 3.15 2.20 0.10 -5.01 119.74 118.43 1a81 s LYS 105 Ca -0.12 -0.06 -0.19 0.00 -0.36 0.00 0.00 55.97 55.23 1a81 s LYS 105 Cb 0.04 -1.06 -0.10 0.00 -1.51 0.00 0.00 37.83 35.20 1a81 s LYS 105 CO 0.85 -0.20 0.97 -1.25 -0.36 0.00 0.00 175.35 175.35 1a81 s PRO 106 N 1.48 4.11 -0.50 4.03 0.04 -1.26 -0.11 135.00 142.79 1a81 s PRO 106 Ca -0.02 1.06 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 1a81 s PRO 106 Cb -0.13 -2.16 0.11 0.00 0.04 0.00 0.00 34.50 32.36 1a81 s PRO 106 CO -0.03 -0.14 0.42 0.12 0.04 0.00 0.00 177.00 177.41 1a81 s PHE 107 N -2.36 3.30 0.51 0.56 2.19 0.30 -4.79 117.98 117.70 1a81 s PHE 107 Ca 0.61 -1.39 -0.20 0.00 0.33 0.00 0.00 56.93 56.27 1a81 s PHE 107 Cb -0.10 -3.54 -0.07 0.00 -1.31 0.00 0.00 43.02 38.00 1a81 s PHE 107 CO 0.21 -0.96 1.09 -0.80 1.83 0.00 0.00 175.22 176.59 1a81 s ASN 108 N 3.07 6.04 -0.00 6.13 -0.87 -1.26 -4.56 114.94 123.49 1a81 s ASN 108 Ca 0.04 2.08 -0.36 0.00 -1.57 0.00 0.00 52.86 53.05 1a81 s ASN 108 Cb -0.27 -2.57 -0.15 0.00 -0.02 0.00 0.00 41.25 38.23 1a81 s ASN 108 CO 0.03 -0.99 1.59 -1.14 -2.57 0.00 0.00 177.10 174.01 1a81 n ARG 109 N -1.05 1.61 -1.96 -0.60 3.00 0.73 -4.86 116.66 113.52 1a81 n ARG 109 Ca 0.10 0.58 -0.37 0.00 -0.00 0.00 0.00 57.85 58.16 1a81 n ARG 109 Cb 0.51 -2.31 0.03 0.00 0.00 0.00 0.00 32.46 30.69 1a81 n ARG 109 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1a81 s PRO 110 N 1.89 3.27 0.09 -0.14 0.02 -1.26 -4.83 135.00 134.04 1a81 s PRO 110 Ca 0.87 2.02 -0.34 0.00 0.02 0.00 0.00 61.00 63.58 1a81 s PRO 110 Cb -0.86 -2.23 -0.18 0.00 0.02 0.00 0.00 34.50 31.25 1a81 s PRO 110 CO 0.49 -1.02 0.79 0.94 -0.33 0.00 0.00 177.00 177.88 1a81 n GLN 111 N -1.00 0.00 0.00 5.54 0.00 -1.26 -0.34 117.38 120.32 1a81 n GLN 111 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 1a81 n GLN 111 Cb 0.47 -1.24 0.00 0.00 0.00 0.00 0.00 30.24 29.47 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 1.70 1.87 3.46 1.69 0.00 -1.26 -5.00 105.19 107.66 1a81 n GLY 112 Ca 0.19 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1a81 n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a81 n VAL 113 N 0.00 0.80 -4.17 1.61 0.31 0.54 -5.05 118.33 112.36 1a81 n VAL 113 Ca 0.00 -0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 1a81 n VAL 113 Cb 0.00 -0.72 -0.09 0.00 -0.91 0.00 0.00 33.84 32.12 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 -3.40 1.36 -0.16 5.55 -1.52 -1.26 -4.81 119.66 115.41 1a81 s GLN 114 Ca 0.61 -1.63 -0.29 0.00 -1.95 0.00 0.00 55.36 52.10 1a81 s GLN 114 Cb -0.26 0.32 -0.02 0.00 -0.22 0.00 0.00 33.01 32.82 1a81 s GLN 114 CO 0.63 -0.48 1.36 -2.14 -0.25 0.00 0.00 175.29 174.40 1a81 s PRO 115 N -3.99 4.17 0.73 2.91 0.02 -1.26 -4.64 135.00 132.93 1a81 s PRO 115 Ca 0.36 1.72 -0.16 0.00 0.02 0.00 0.00 61.00 62.94 1a81 s PRO 115 Cb 0.05 -3.83 0.04 0.00 0.02 0.00 0.00 34.50 30.77 1a81 s PRO 115 CO 0.14 -0.81 1.25 0.15 -0.33 0.00 0.00 177.00 177.40 1a81 s LYS 116 N 3.73 2.07 -0.04 5.54 1.02 -1.26 -4.48 119.74 126.32 1a81 s LYS 116 Ca 0.59 1.91 0.06 0.00 0.02 0.00 0.00 55.97 58.56 1a81 s LYS 116 Cb -0.23 -1.81 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1a81 s LYS 116 CO 0.19 -1.93 -0.23 0.95 -0.92 0.00 0.00 175.35 173.41 1a81 s THR 117 N -1.78 1.88 1.28 2.17 -4.23 -1.26 0.55 115.64 114.25 1a81 s THR 117 Ca 0.78 -0.99 -0.17 0.00 -1.18 0.00 0.00 61.69 60.13 1a81 s THR 117 Cb -0.33 -1.58 0.32 0.00 1.34 0.00 0.00 72.50 72.26 1a81 s THR 117 CO 0.45 0.53 0.98 -0.83 -0.54 0.00 0.00 174.62 175.21 1a81 s GLY 118 N -0.31 1.48 -0.59 3.99 0.00 -1.26 -4.85 107.32 105.78 1a81 s GLY 118 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 44.72 44.27 1a81 s GLY 118 CO 0.01 0.40 2.02 -1.55 0.00 0.00 0.00 173.10 173.98 1a81 n PRO 119 N -5.25 2.50 0.00 2.90 -0.04 -1.26 -4.06 135.00 129.79 1a81 n PRO 119 Ca 0.07 -2.97 0.00 0.00 -0.04 0.00 0.00 63.50 60.56 1a81 n PRO 119 Cb 0.57 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 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 -0.73 0.00 0.27 0.54 1.16 -1.26 -4.62 117.46 112.83 1a81 n PHE 120 Ca 0.57 0.00 0.16 0.00 -1.87 0.00 0.00 57.45 56.31 1a81 n PHE 120 Cb 0.73 0.01 0.56 0.00 -1.61 0.00 0.00 39.48 39.16 1a81 n PHE 120 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 1a81 h GLU 121 N 0.00 0.00 0.02 3.97 4.57 -1.95 0.31 114.58 121.50 1a81 h GLU 121 Ca 0.00 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.90 1a81 h GLU 121 Cb 0.08 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 1a81 h GLU 121 CO 0.00 0.00 -1.59 0.38 -1.18 0.00 0.00 179.01 176.62 1a81 h ASP 122 N 0.00 0.06 0.00 1.04 3.04 -1.86 -3.25 116.42 115.45 1a81 h ASP 122 Ca 0.00 -0.11 -0.00 0.00 -3.24 0.00 0.00 57.03 53.68 1a81 h ASP 122 Cb 0.62 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.89 1a81 h ASP 122 CO 0.00 1.10 -0.00 0.17 -2.04 0.00 0.00 179.24 178.46 1a81 h LEU 123 N 0.01 -0.00 -0.13 0.15 8.10 -1.74 -3.35 115.31 118.34 1a81 h LEU 123 Ca -0.24 -0.91 0.03 0.00 0.11 0.00 0.00 57.88 56.87 1a81 h LEU 123 Cb 1.97 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 42.14 1a81 h LEU 123 CO 0.10 0.92 -0.45 0.11 -4.11 0.00 0.00 178.44 175.01 1a81 h LYS 124 N -0.95 -0.45 -0.51 0.17 1.79 -1.12 1.17 116.57 116.67 1a81 h LYS 124 Ca -0.00 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.59 1a81 h LYS 124 Cb 0.91 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 31.57 1a81 h LYS 124 CO 0.00 -0.30 -0.18 -1.91 -1.08 0.00 0.00 179.45 175.98 1a81 n GLU 125 N -4.92 -0.10 -0.07 3.15 4.07 -1.23 -0.44 120.64 121.10 1a81 n GLU 125 Ca -0.05 0.79 -0.11 0.00 -0.06 0.00 0.00 57.16 57.73 1a81 n GLU 125 Cb 0.31 -1.18 -0.09 0.00 -0.06 0.00 0.00 31.44 30.42 1a81 n GLU 125 CO 0.00 0.00 0.00 -2.95 -0.06 0.00 0.00 177.13 174.12 1a81 h ASN 126 N 0.00 0.00 -0.78 4.31 7.08 -1.48 -3.07 115.58 121.64 1a81 h ASN 126 Ca 0.19 -0.59 0.31 0.00 -3.08 0.00 0.00 56.30 53.13 1a81 h ASN 126 Cb 0.32 0.00 -0.12 0.00 -2.08 0.00 0.00 38.32 36.44 1a81 h ASN 126 CO -0.51 0.95 0.45 -0.11 -2.08 0.00 0.00 177.43 176.13 1a81 n LEU 127 N -4.62 0.22 -0.04 6.14 7.94 0.40 0.22 117.00 127.25 1a81 n LEU 127 Ca -0.11 1.11 -0.14 0.00 -1.11 0.00 0.00 56.01 55.75 1a81 n LEU 127 Cb 0.39 -0.54 -0.12 0.00 0.53 0.00 0.00 43.42 43.67 1a81 n LEU 127 CO 0.21 -1.24 0.41 0.16 -1.11 0.00 0.00 177.39 175.83 1a81 h ILE 128 N 0.00 1.66 -0.84 1.96 -0.00 -1.01 -2.58 117.51 116.71 1a81 h ILE 128 Ca 0.60 -2.08 0.24 0.00 -0.00 0.00 0.00 64.86 63.63 1a81 h ILE 128 Cb 1.70 3.05 -0.03 0.00 -0.00 0.00 0.00 36.82 41.54 1a81 h ILE 128 CO -0.48 0.55 0.73 -0.09 -0.00 0.00 0.00 178.15 178.86 1a81 h ARG 129 N -0.77 0.00 0.00 0.16 9.65 0.27 -1.55 114.38 122.15 1a81 h ARG 129 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1a81 h ARG 129 Cb 0.96 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 1a81 h ARG 129 CO 0.02 0.00 0.00 -1.91 2.80 0.00 0.00 179.97 180.88 1a81 n GLU 130 N -3.87 0.00 -0.17 0.20 4.07 0.67 -2.79 120.64 118.75 1a81 n GLU 130 Ca 0.17 0.12 0.09 0.00 -0.06 0.00 0.00 57.16 57.48 1a81 n GLU 130 Cb 1.02 -0.76 0.17 0.00 -0.06 0.00 0.00 31.44 31.80 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 -0.85 0.36 0.16 4.31 4.19 -0.86 0.14 117.16 124.60 1a81 n TYR 131 Ca 0.00 0.59 -0.14 0.00 3.31 0.00 0.00 57.90 61.67 1a81 n TYR 131 Cb 0.00 -0.90 -0.08 0.00 0.49 0.00 0.00 39.34 38.85 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 0.72 -0.57 2.97 2.07 -1.44 -1.66 116.25 118.34 1a81 h VAL 132 Ca 0.32 -0.49 0.17 0.00 0.82 0.00 0.00 66.70 67.52 1a81 h VAL 132 Cb 0.70 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1a81 h VAL 132 CO -0.45 0.10 0.47 0.11 0.02 0.00 0.00 177.57 177.82 1a81 h LYS 133 N -0.68 0.00 0.00 1.57 6.56 0.14 0.79 116.57 124.94 1a81 h LYS 133 Ca -0.04 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.45 1a81 h LYS 133 Cb 0.47 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 1a81 h LYS 133 CO 0.07 0.00 -0.48 0.37 -2.06 0.00 0.00 179.45 177.35 1a81 h GLN 134 N 0.00 0.00 0.00 3.15 4.15 -0.54 -3.11 115.11 118.76 1a81 h GLN 134 Ca 0.27 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.54 1a81 h GLN 134 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 1a81 h GLN 134 CO -0.00 0.48 -1.54 0.25 -1.93 0.00 0.00 178.83 176.09 1a81 n THR 135 N -3.51 0.53 0.59 2.39 -2.24 0.19 -4.69 114.28 107.54 1a81 n THR 135 Ca -0.00 -0.15 0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1a81 n THR 135 Cb 0.59 -1.39 0.19 0.00 -2.10 0.00 0.00 70.33 67.62 1a81 n THR 135 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1a81 n TRP 136 N -3.24 0.62 -2.72 4.78 8.01 0.22 -4.95 117.44 120.16 1a81 n TRP 136 Ca -0.18 -0.29 0.00 0.00 -1.31 0.00 0.00 57.50 55.71 1a81 n TRP 136 Cb 0.65 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.92 1a81 n TRP 136 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1a81 n ASN 137 N 0.72 0.00 -2.99 -0.99 2.85 -1.18 -4.79 115.26 108.88 1a81 n ASN 137 Ca 0.14 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.27 1a81 n ASN 137 Cb 0.39 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.42 1a81 n ASN 137 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a81 n LEU 138 N -0.83 6.29 -0.51 1.20 -0.00 -1.26 -4.87 117.00 117.02 1a81 n LEU 138 Ca 0.00 -5.21 0.43 0.00 -0.00 0.00 0.00 56.01 51.23 1a81 n LEU 138 Cb 0.00 -0.86 0.68 0.00 -0.00 0.00 0.00 43.42 43.24 1a81 n LEU 138 CO 0.00 2.05 1.40 1.56 -0.00 0.00 0.00 177.39 182.40 1a81 h GLN 139 N 3.18 0.00 0.00 1.47 4.20 -1.90 0.13 115.11 122.19 1a81 h GLN 139 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1a81 h GLN 139 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1a81 h GLN 139 CO 1.13 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.70 1a81 n GLY 140 N -1.84 -3.01 0.00 3.46 0.00 -1.26 -4.65 105.19 97.89 1a81 n GLY 140 Ca 0.36 -1.21 0.06 0.00 0.00 0.00 0.00 46.02 45.23 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 0.89 -0.01 1.61 3.00 -1.26 -2.35 117.38 119.26 1a81 n GLN 141 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1a81 n GLN 141 Cb 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 30.24 29.03 1a81 n GLN 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a81 h ALA 142 N 3.22 0.55 0.02 -1.58 0.00 -1.85 -3.12 119.26 116.51 1a81 h ALA 142 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1a81 h ALA 142 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1a81 h ALA 142 CO 0.00 0.70 -0.01 1.25 0.00 0.00 0.00 179.25 181.19 1a81 h LEU 143 N 0.46 -0.02 -1.15 0.00 5.85 -0.35 -2.76 115.31 117.35 1a81 h LEU 143 Ca -0.01 -0.21 0.25 0.00 0.84 0.00 0.00 57.88 58.74 1a81 h LEU 143 Cb 1.22 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.15 1a81 h LEU 143 CO 0.12 0.20 0.63 -0.33 -0.34 0.00 0.00 178.44 178.72 1a81 h GLU 144 N -0.25 0.52 0.00 1.25 4.39 -1.71 -2.42 114.58 116.36 1a81 h GLU 144 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1a81 h GLU 144 Cb 0.23 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1a81 h GLU 144 CO 0.00 0.34 0.00 1.04 -1.16 0.00 0.00 179.01 179.24 1a81 n GLN 145 N -4.77 0.00 0.00 2.33 1.13 -1.18 -3.74 117.38 111.15 1a81 n GLN 145 Ca 0.26 0.33 0.00 0.00 -1.94 0.00 0.00 57.00 55.65 1a81 n GLN 145 Cb 0.77 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 30.01 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 -1.49 0.00 -0.40 -1.58 0.00 -0.94 -1.08 120.51 115.01 1a81 n ALA 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a81 n ALA 146 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a81 n ALA 146 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1a81 n ILE 147 N -3.70 0.00 -0.37 0.00 -5.35 -1.02 0.71 119.36 109.62 1a81 n ILE 147 Ca 0.00 1.29 0.30 0.00 -0.27 0.00 0.00 62.75 64.07 1a81 n ILE 147 Cb 0.00 -2.29 0.60 0.00 -1.74 0.00 0.00 39.64 36.21 1a81 n ILE 147 CO 0.00 0.00 0.00 0.16 -1.76 0.00 0.00 176.55 174.95 1a81 h ILE 148 N 0.00 0.36 0.08 7.28 -2.65 -1.19 3.57 117.51 124.96 1a81 h ILE 148 Ca 0.00 -0.08 -0.00 0.00 1.03 0.00 0.00 64.86 65.81 1a81 h ILE 148 Cb 0.00 0.11 0.00 0.00 -2.05 0.00 0.00 36.82 34.89 1a81 h ILE 148 CO 0.00 0.04 -0.04 0.28 0.03 0.00 0.00 178.15 178.46 1a81 h SER 149 N 0.23 -0.10 0.00 2.16 0.02 -1.16 -3.37 113.55 111.34 1a81 h SER 149 Ca 0.67 -0.17 -0.33 0.00 -0.84 0.00 0.00 61.79 61.12 1a81 h SER 149 Cb 2.01 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 64.52 1a81 h SER 149 CO -0.29 0.12 -2.23 1.67 -1.14 0.00 0.00 176.83 174.96 1a81 n GLN 150 N -5.05 1.08 0.00 3.45 -0.06 0.22 -4.65 117.38 112.37 1a81 n GLN 150 Ca -0.08 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.91 1a81 n GLN 150 Cb 0.15 -1.46 0.00 0.00 -4.06 0.00 0.00 30.24 24.87 1a81 n GLN 150 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1a81 n LYS 151 N -2.66 0.00 -0.03 3.69 4.81 1.14 0.08 118.16 125.19 1a81 n LYS 151 Ca -0.29 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.17 1a81 n LYS 151 Cb 1.08 0.00 0.04 0.00 0.02 0.00 0.00 35.03 36.17 1a81 n LYS 151 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1a81 n PRO 152 N -3.37 -0.01 -0.06 1.64 -0.02 -1.26 -0.27 135.00 131.65 1a81 n PRO 152 Ca 0.00 0.11 -0.05 0.00 -2.02 0.00 0.00 63.50 61.54 1a81 n PRO 152 Cb 0.00 -0.19 -0.02 0.00 -0.02 0.00 0.00 33.50 33.27 1a81 n PRO 152 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1a81 n GLN 153 N -3.35 0.38 -0.15 -0.52 0.00 0.11 -4.53 117.38 109.32 1a81 n GLN 153 Ca 0.03 0.32 -0.04 0.00 -0.00 0.00 0.00 57.00 57.31 1a81 n GLN 153 Cb 0.09 -1.36 -0.03 0.00 0.00 0.00 0.00 30.24 28.93 1a81 n GLN 153 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1a81 n LEU 154 N -4.07 -0.37 0.00 1.69 4.77 0.63 -0.30 117.00 119.36 1a81 n LEU 154 Ca -0.08 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1a81 n LEU 154 Cb 0.30 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1a81 n LEU 154 CO 0.12 -0.52 0.15 -0.62 -1.33 0.00 0.00 177.39 175.19 1a81 n GLU 155 N -4.45 0.00 -0.42 3.23 1.02 -0.93 0.33 120.64 119.42 1a81 n GLU 155 Ca 0.01 0.29 0.34 0.00 -0.02 0.00 0.00 57.16 57.79 1a81 n GLU 155 Cb 0.10 -0.47 0.64 0.00 -0.02 0.00 0.00 31.44 31.69 1a81 n GLU 155 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1a81 h LYS 156 N 0.00 0.14 0.09 3.49 1.63 -0.92 -1.64 116.57 119.36 1a81 h LYS 156 Ca 0.00 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1a81 h LYS 156 Cb 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1a81 h LYS 156 CO 0.00 0.10 -0.04 1.25 -3.45 0.00 0.00 179.45 177.30 1a81 h LEU 157 N 0.15 -0.10 -0.96 5.20 5.85 0.55 -2.71 115.31 123.29 1a81 h LEU 157 Ca 0.74 0.00 0.25 0.00 0.84 0.00 0.00 57.88 59.71 1a81 h LEU 157 Cb 2.36 0.03 -0.18 0.00 0.37 0.00 0.00 40.66 43.23 1a81 h LEU 157 CO -0.30 -0.01 -0.04 -0.38 -0.34 0.00 0.00 178.44 177.37 1a81 n ILE 158 N -2.68 -0.40 0.29 4.05 -0.00 -0.58 -1.30 119.36 118.74 1a81 n ILE 158 Ca -0.01 2.13 -0.13 0.00 -0.00 0.00 0.00 62.75 64.74 1a81 n ILE 158 Cb 0.05 -3.08 -0.06 0.00 -0.00 0.00 0.00 39.64 36.55 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 1.92 -1.17 -1.54 -1.39 0.00 -1.41 -2.44 119.26 113.23 1a81 h ALA 159 Ca 0.56 -0.17 0.47 0.00 0.00 0.00 0.00 54.91 55.77 1a81 h ALA 159 Cb 1.09 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 19.18 1a81 h ALA 159 CO -0.92 -1.13 1.06 1.79 0.00 0.00 0.00 179.25 180.05 1a81 h THR 160 N -0.79 0.11 -2.76 0.00 1.35 -0.85 -3.15 112.91 106.82 1a81 h THR 160 Ca -0.07 -0.02 -0.58 0.00 -0.55 0.00 0.00 66.41 65.19 1a81 h THR 160 Cb 0.63 0.06 -0.39 0.00 -1.73 0.00 0.00 68.15 66.71 1a81 h THR 160 CO 0.09 0.01 -0.80 0.42 -0.25 0.00 0.00 175.52 174.98 1a81 s THR 161 N -5.10 0.53 0.00 6.82 -4.23 -0.96 -4.73 115.64 107.97 1a81 s THR 161 Ca -0.06 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1a81 s THR 161 Cb 0.28 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1a81 s THR 161 CO 0.85 -0.91 0.00 0.00 -0.54 0.00 0.00 174.62 174.01 1a81 n ALA 162 N 4.08 0.24 0.13 3.99 0.00 -0.95 -4.62 120.51 123.38 1a81 n ALA 162 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1a81 n ALA 162 Cb 0.37 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.31 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 0.25 -0.93 0.00 2.07 -1.85 0.89 115.15 115.59 1a81 h HIS 163 Ca 0.00 -0.01 0.22 0.00 -2.85 0.00 0.00 60.37 57.74 1a81 h HIS 163 Cb 0.01 -0.08 -0.07 0.00 2.57 0.00 0.00 27.41 29.84 1a81 h HIS 163 CO 0.00 0.23 0.62 0.93 -3.07 0.00 0.00 177.93 176.64 1a81 h GLU 164 N 0.26 0.35 0.00 5.12 4.39 -1.92 0.30 114.58 123.09 1a81 h GLU 164 Ca 0.06 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1a81 h GLU 164 Cb 0.10 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1a81 h GLU 164 CO -0.00 0.23 -0.37 1.17 -1.16 0.00 0.00 179.01 178.88 1a81 n LYS 165 N -4.50 0.17 -3.13 2.33 0.00 0.30 -4.93 118.16 108.40 1a81 n LYS 165 Ca 0.20 0.08 -0.39 0.00 0.00 0.00 0.00 58.31 58.20 1a81 n LYS 165 Cb 0.76 -1.64 -0.05 0.00 0.00 0.00 0.00 35.03 34.10 1a81 n LYS 165 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1a81 s MET 166 N -3.09 4.40 0.41 1.64 1.00 0.09 -4.96 119.30 118.79 1a81 s MET 166 Ca 0.09 0.77 0.27 0.00 0.00 0.00 0.00 55.69 56.83 1a81 s MET 166 Cb 0.15 -3.42 1.42 0.00 0.00 0.00 0.00 34.83 32.97 1a81 s MET 166 CO 0.66 0.15 1.56 -2.30 0.00 0.00 0.00 175.02 175.08 1a81 n PRO 167 N 3.53 -0.05 0.26 2.03 -0.01 -1.26 -0.14 135.00 139.36 1a81 n PRO 167 Ca -0.03 1.30 0.16 0.00 -0.01 0.00 0.00 63.50 64.92 1a81 n PRO 167 Cb 0.51 -2.46 0.60 0.00 -0.01 0.00 0.00 33.50 32.14 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 -3.49 6.00 5.08 -1.88 -3.40 115.95 118.27 1a81 h TRP 168 Ca 0.86 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 60.24 1a81 h TRP 168 Cb 2.55 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 28.62 1a81 h TRP 168 CO -0.01 0.00 0.67 0.12 -1.28 0.00 0.00 178.44 177.95 1a81 s PHE 169 N -3.57 3.06 -0.81 0.12 5.36 0.80 0.29 117.98 123.23 1a81 s PHE 169 Ca 0.02 0.82 0.02 0.00 -0.96 0.00 0.00 56.93 56.83 1a81 s PHE 169 Cb 0.08 -3.75 0.32 0.00 -0.34 0.00 0.00 43.02 39.34 1a81 s PHE 169 CO 0.55 -0.87 1.31 0.72 -1.46 0.00 0.00 175.22 175.47 1a81 n HIS 170 N 6.91 3.35 0.00 10.12 8.25 0.80 -4.88 115.22 139.77 1a81 n HIS 170 Ca 0.08 -3.33 0.00 0.00 -0.26 0.00 0.00 57.72 54.21 1a81 n HIS 170 Cb 0.48 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1a81 n HIS 170 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a81 n GLY 171 N 0.11 1.46 3.36 -1.41 0.00 -1.26 -4.16 105.19 103.29 1a81 n GLY 171 Ca 0.36 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1a81 n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a81 s LYS 172 N 0.00 3.13 0.08 1.61 0.00 -1.26 -0.97 119.74 122.33 1a81 s LYS 172 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 55.97 55.11 1a81 s LYS 172 Cb 0.00 -2.51 0.02 0.00 0.00 0.00 0.00 37.83 35.34 1a81 s LYS 172 CO 0.00 0.30 0.31 0.42 0.00 0.00 0.00 175.35 176.38 1a81 s ILE 173 N 0.12 0.09 0.84 3.79 1.01 -1.25 -4.92 121.20 120.87 1a81 s ILE 173 Ca -0.07 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 1a81 s ILE 173 Cb -0.15 -1.09 0.10 0.00 0.01 0.00 0.00 42.46 41.32 1a81 s ILE 173 CO 0.05 -0.41 1.15 -0.94 0.00 0.00 0.00 174.94 174.79 1a81 s SER 174 N -2.45 3.58 0.57 3.58 1.04 -1.26 -4.86 113.70 113.91 1a81 s SER 174 Ca -0.01 2.17 0.34 0.00 0.48 0.00 0.00 55.95 58.94 1a81 s SER 174 Cb 0.01 -2.56 1.72 0.00 0.10 0.00 0.00 66.02 65.29 1a81 s SER 174 CO -0.07 -2.67 2.14 -0.09 0.98 0.00 0.00 173.24 173.53 1a81 h ARG 175 N -1.29 0.00 0.01 4.02 2.43 -1.99 -2.12 114.38 115.44 1a81 h ARG 175 Ca -0.44 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.54 1a81 h ARG 175 Cb 1.27 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1a81 h ARG 175 CO 0.46 0.05 -1.02 0.93 -1.51 0.00 0.00 179.97 178.88 1a81 h GLU 176 N 0.00 0.03 0.00 0.20 3.07 -2.00 -2.97 114.58 112.91 1a81 h GLU 176 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1a81 h GLU 176 Cb 0.29 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1a81 h GLU 176 CO 0.01 1.02 0.44 1.49 -1.40 0.00 0.00 179.01 180.57 1a81 h GLU 177 N -0.92 0.00 0.00 2.33 4.81 -1.84 -1.23 114.58 117.73 1a81 h GLU 177 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1a81 h GLU 177 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1a81 h GLU 177 CO -0.14 0.00 -0.01 0.66 -0.73 0.00 0.00 179.01 178.79 1a81 h SER 178 N 0.00 0.00 -0.17 1.04 4.64 -1.45 -2.49 113.55 115.12 1a81 h SER 178 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1a81 h SER 178 Cb 0.89 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1a81 h SER 178 CO 0.00 0.06 -0.10 -0.62 -0.87 0.00 0.00 176.83 175.30 1a81 n GLU 179 N -2.35 -0.07 0.00 4.77 -0.58 -0.74 -0.44 120.64 121.22 1a81 n GLU 179 Ca -0.00 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1a81 n GLU 179 Cb 0.01 -0.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1a81 n GLU 179 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1a81 n GLN 180 N -3.24 0.00 -0.13 3.49 6.02 -0.54 -0.30 117.38 122.68 1a81 n GLN 180 Ca 0.00 0.60 0.25 0.00 -0.01 0.00 0.00 57.00 57.84 1a81 n GLN 180 Cb 0.04 -1.17 0.42 0.00 1.02 0.00 0.00 30.24 30.56 1a81 n GLN 180 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1a81 h ILE 181 N 0.00 0.03 0.01 5.09 6.09 -0.51 -0.69 117.51 127.53 1a81 h ILE 181 Ca 0.00 0.00 -0.38 0.00 -1.37 0.00 0.00 64.86 63.11 1a81 h ILE 181 Cb 0.00 0.06 -0.07 0.00 0.47 0.00 0.00 36.82 37.29 1a81 h ILE 181 CO 0.00 0.00 -2.39 0.55 -3.07 0.00 0.00 178.15 173.24 1a81 n VAL 182 N -3.21 1.47 0.26 2.19 3.14 0.41 -4.22 118.33 118.37 1a81 n VAL 182 Ca 0.19 -0.70 0.11 0.00 -2.96 0.00 0.00 64.34 60.98 1a81 n VAL 182 Cb 1.40 -1.02 0.72 0.00 -1.06 0.00 0.00 33.84 33.87 1a81 n VAL 182 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1a81 h LEU 183 N 0.00 0.00 -9.86 6.55 4.07 0.85 -3.42 115.31 113.50 1a81 h LEU 183 Ca -0.55 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 56.89 1a81 h LEU 183 Cb 2.06 0.00 0.05 0.00 1.08 0.00 0.00 40.66 43.85 1a81 h LEU 183 CO -0.02 0.08 0.61 -0.63 -1.08 0.00 0.00 178.44 177.39 1a81 s ILE 184 N -4.56 2.89 0.00 1.22 1.09 -0.80 -4.74 121.20 116.29 1a81 s ILE 184 Ca -0.04 0.89 0.00 0.00 -1.10 0.00 0.00 60.65 60.40 1a81 s ILE 184 Cb 0.15 -3.57 0.00 0.00 -1.06 0.00 0.00 42.46 37.98 1a81 s ILE 184 CO 0.61 0.21 0.00 0.61 -0.10 0.00 0.00 174.94 176.27 1a81 n GLY 185 N 0.93 -2.54 3.68 6.18 0.00 -1.26 -4.86 105.19 107.31 1a81 n GLY 185 Ca -0.00 -1.71 -0.52 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.05 2.66 -0.97 1.61 7.64 -1.26 -4.82 113.62 118.44 1a81 n SER 186 Ca 0.00 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1a81 n SER 186 Cb 0.00 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 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 5.04 0.85 -1.66 1.43 -0.00 -1.26 -4.91 118.16 117.66 1a81 n LYS 187 Ca 0.23 0.00 -0.46 0.00 -0.00 0.00 0.00 58.31 58.08 1a81 n LYS 187 Cb 0.21 -1.10 -0.03 0.00 -0.00 0.00 0.00 35.03 34.11 1a81 n LYS 187 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1a81 n THR 188 N 0.54 0.78 -2.25 0.58 5.66 -1.26 -4.77 114.28 113.55 1a81 n THR 188 Ca 0.00 -0.19 -0.41 0.00 -3.05 0.00 0.00 64.05 60.40 1a81 n THR 188 Cb 0.41 -1.39 -0.03 0.00 -1.55 0.00 0.00 70.33 67.77 1a81 n THR 188 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1a81 s ASN 189 N 0.35 6.95 0.00 1.09 0.01 -1.26 -3.46 114.94 118.62 1a81 s ASN 189 Ca 0.71 2.46 0.00 0.00 -0.71 0.00 0.00 52.86 55.31 1a81 s ASN 189 Cb -0.69 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.35 1a81 s ASN 189 CO 0.48 -0.43 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 1a81 n GLY 190 N 1.56 0.73 3.78 0.66 0.00 0.35 -4.73 105.19 107.55 1a81 n GLY 190 Ca 0.02 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.63 4.13 0.20 1.61 2.20 -1.22 -0.21 119.74 125.81 1a81 s LYS 191 Ca 0.00 1.52 -0.21 0.00 -0.36 0.00 0.00 55.97 56.92 1a81 s LYS 191 Cb 0.00 -2.51 0.05 0.00 -1.51 0.00 0.00 37.83 33.85 1a81 s LYS 191 CO 0.00 -0.18 0.62 -0.59 -0.36 0.00 0.00 175.35 174.84 1a81 s PHE 192 N -1.67 -0.34 0.04 4.03 -0.71 -0.54 -1.23 117.98 117.55 1a81 s PHE 192 Ca 0.59 0.03 -0.28 0.00 -1.04 0.00 0.00 56.93 56.23 1a81 s PHE 192 Cb -0.22 0.57 0.07 0.00 -1.21 0.00 0.00 43.02 42.23 1a81 s PHE 192 CO 0.28 -0.98 0.65 -0.48 -1.34 0.00 0.00 175.22 173.35 1a81 s LEU 193 N -2.83 -0.61 -0.06 -1.99 2.34 -0.52 -0.44 118.68 114.57 1a81 s LEU 193 Ca 0.06 0.40 0.05 0.00 0.06 0.00 0.00 54.13 54.69 1a81 s LEU 193 Cb -0.02 2.55 -0.02 0.00 -0.56 0.00 0.00 46.19 48.14 1a81 s LEU 193 CO -0.05 -0.76 -0.21 -0.63 -1.06 0.00 0.00 176.35 173.65 1a81 s ILE 194 N -2.31 2.47 0.13 1.48 1.01 0.83 -2.66 121.20 122.14 1a81 s ILE 194 Ca -0.05 -0.92 0.10 0.00 0.00 0.00 0.00 60.65 59.78 1a81 s ILE 194 Cb -0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1a81 s ILE 194 CO -0.00 0.57 -0.23 0.00 0.00 0.00 0.00 174.94 175.27 1a81 s ARG 195 N -0.31 1.55 0.04 2.79 1.70 -1.21 0.28 118.95 123.79 1a81 s ARG 195 Ca 0.01 -1.30 -0.22 0.00 -0.47 0.00 0.00 55.73 53.75 1a81 s ARG 195 Cb -0.13 -1.98 -0.06 0.00 -0.57 0.00 0.00 34.95 32.22 1a81 s ARG 195 CO 0.02 0.46 0.66 0.00 -1.08 0.00 0.00 175.30 175.36 1a81 s ALA 196 N -1.13 3.46 0.18 7.88 0.00 -0.14 -1.22 121.76 130.79 1a81 s ALA 196 Ca 0.16 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.13 1a81 s ALA 196 Cb -0.10 -2.82 0.16 0.00 0.00 0.00 0.00 23.12 20.36 1a81 s ALA 196 CO 0.08 0.19 1.77 0.00 0.00 0.00 0.00 175.76 177.80 1a81 h ARG 197 N 5.32 0.43 0.00 0.00 3.08 -0.58 -3.34 114.38 119.29 1a81 h ARG 197 Ca -0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1a81 h ARG 197 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1a81 h ARG 197 CO 0.69 0.29 0.00 -3.47 -1.07 0.00 0.00 179.97 176.40 1a81 n ASP 198 N -4.93 0.00 -3.96 7.04 2.03 -1.26 -4.79 116.55 110.68 1a81 n ASP 198 Ca 0.05 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.12 1a81 n ASP 198 Cb 0.17 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.40 1a81 n ASP 198 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1a81 s ASN 199 N 0.00 1.71 0.00 1.67 0.02 -1.26 -5.00 114.94 112.08 1a81 s ASN 199 Ca 0.00 -0.26 0.00 0.00 -1.02 0.00 0.00 52.86 51.58 1a81 s ASN 199 Cb 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 41.25 40.52 1a81 s ASN 199 CO 0.00 -0.03 0.29 -0.46 0.02 0.00 0.00 177.10 176.93 1a81 n ASN 200 N 4.16 0.00 -0.08 -1.22 0.23 -1.26 -0.12 115.26 116.96 1a81 n ASN 200 Ca -0.20 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.62 1a81 n ASN 200 Cb 0.51 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.09 1a81 n ASN 200 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a81 n GLY 201 N -0.77 -0.73 3.37 4.83 0.00 -1.26 -4.94 105.19 105.70 1a81 n GLY 201 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -6.95 3.84 0.00 1.61 1.04 0.83 -2.85 113.70 111.21 1a81 s SER 202 Ca -0.28 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1a81 s SER 202 Cb 0.07 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.87 1a81 s SER 202 CO 0.63 0.22 0.00 -1.22 0.98 0.00 0.00 173.24 173.84 1a81 n TYR 203 N 3.15 -0.25 -3.71 5.02 4.02 -1.05 0.09 117.16 124.43 1a81 n TYR 203 Ca -0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.57 1a81 n TYR 203 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.02 -0.27 -0.72 0.00 -0.36 -1.35 121.76 116.05 1a81 s ALA 204 Ca 0.00 0.70 -0.07 0.00 0.00 0.00 0.00 51.96 52.59 1a81 s ALA 204 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1a81 s ALA 204 CO 0.00 -0.27 0.07 -1.17 0.00 0.00 0.00 175.76 174.39 1a81 s LEU 205 N -0.94 3.61 -0.23 0.00 0.20 0.38 -3.28 118.68 118.42 1a81 s LEU 205 Ca -0.10 -0.48 -0.05 0.00 0.69 0.00 0.00 54.13 54.19 1a81 s LEU 205 Cb -0.04 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.82 1a81 s LEU 205 CO 0.04 -0.12 0.00 0.00 -0.29 0.00 0.00 176.35 175.99 1a81 s LEU 207 N 1.45 1.94 -0.17 0.00 0.20 0.43 -1.44 118.68 121.09 1a81 s LEU 207 Ca 0.05 -0.25 -0.17 0.00 0.69 0.00 0.00 54.13 54.45 1a81 s LEU 207 Cb -0.15 0.26 -0.04 0.00 -0.43 0.00 0.00 46.19 45.84 1a81 s LEU 207 CO -0.00 -0.23 0.45 -0.22 -0.29 0.00 0.00 176.35 176.05 1a81 s LEU 208 N -1.00 4.20 -0.21 -0.68 2.96 -0.37 0.39 118.68 123.98 1a81 s LEU 208 Ca -0.11 0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 54.41 1a81 s LEU 208 Cb -0.07 -2.61 0.08 0.00 0.50 0.00 0.00 46.19 44.10 1a81 s LEU 208 CO -0.00 -0.06 0.16 -2.28 -1.32 0.00 0.00 176.35 172.84 1a81 s HIS 209 N 1.09 0.01 -1.23 5.38 5.65 0.26 -0.49 115.29 125.95 1a81 s HIS 209 Ca 0.22 -0.23 -0.01 0.00 0.25 0.00 0.00 55.06 55.29 1a81 s HIS 209 Cb -0.15 -0.60 -0.01 0.00 -1.18 0.00 0.00 32.58 30.64 1a81 s HIS 209 CO 0.09 -0.63 0.85 0.39 -0.65 0.00 0.00 174.74 174.79 1a81 n GLU 210 N 5.29 -5.31 -1.08 2.88 -0.58 -1.26 -0.32 120.64 120.26 1a81 n GLU 210 Ca -0.06 0.74 -0.03 0.00 -0.42 0.00 0.00 57.16 57.39 1a81 n GLU 210 Cb 0.48 -5.50 -0.01 0.00 -0.57 0.00 0.00 31.44 25.84 1a81 n GLU 210 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a81 n GLY 211 N -1.35 0.27 3.65 0.62 0.00 -1.26 -4.94 105.19 102.18 1a81 n GLY 211 Ca -0.27 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.14 2.76 -0.10 1.61 2.20 0.56 -5.09 119.74 119.54 1a81 s LYS 212 Ca 0.00 -0.60 -0.16 0.00 -0.36 0.00 0.00 55.97 54.85 1a81 s LYS 212 Cb 0.00 -2.64 -0.05 0.00 -1.51 0.00 0.00 37.83 33.63 1a81 s LYS 212 CO 0.00 0.63 0.41 0.54 -0.36 0.00 0.00 175.35 176.57 1a81 s VAL 213 N -1.01 5.19 -0.11 4.02 0.11 -1.26 0.89 120.40 128.22 1a81 s VAL 213 Ca 0.17 0.81 0.02 0.00 -2.93 0.00 0.00 61.98 60.05 1a81 s VAL 213 Cb -0.11 -3.74 -0.01 0.00 -1.53 0.00 0.00 36.38 30.98 1a81 s VAL 213 CO 0.08 0.40 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.33 1a81 s LEU 214 N 0.21 2.57 -0.25 2.54 1.43 1.27 -4.91 118.68 121.53 1a81 s LEU 214 Ca 0.23 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1a81 s LEU 214 Cb -0.15 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 1a81 s LEU 214 CO 0.09 0.20 0.01 -1.00 0.23 0.00 0.00 176.35 175.88 1a81 s HIS 215 N 0.16 3.05 -0.29 0.29 3.76 -1.24 0.16 115.29 121.18 1a81 s HIS 215 Ca -0.09 -0.95 0.02 0.00 -0.15 0.00 0.00 55.06 53.89 1a81 s HIS 215 Cb -0.15 -2.17 0.07 0.00 1.11 0.00 0.00 32.58 31.44 1a81 s HIS 215 CO 0.05 -0.55 -0.04 0.71 -0.85 0.00 0.00 174.74 174.06 1a81 s TYR 216 N 1.49 3.36 0.05 1.40 2.02 0.87 -4.89 117.35 121.63 1a81 s TYR 216 Ca 0.04 -2.32 -0.33 0.00 -0.37 0.00 0.00 57.07 54.09 1a81 s TYR 216 Cb -0.16 -2.19 -0.12 0.00 -0.40 0.00 0.00 41.96 39.09 1a81 s TYR 216 CO -0.01 -0.88 1.76 -2.13 -1.57 0.00 0.00 175.55 172.73 1a81 n ARG 217 N 4.46 2.28 -4.50 -0.62 0.63 -1.26 0.14 116.66 117.79 1a81 n ARG 217 Ca -0.11 0.83 -0.30 0.00 -0.92 0.00 0.00 57.85 57.35 1a81 n ARG 217 Cb 0.42 -2.66 -0.12 0.00 0.45 0.00 0.00 32.46 30.56 1a81 n ARG 217 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1a81 s ILE 218 N 2.64 2.88 -0.02 5.15 1.01 -0.46 -4.06 121.20 128.35 1a81 s ILE 218 Ca 0.85 -1.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.05 1a81 s ILE 218 Cb -0.65 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 39.59 1a81 s ILE 218 CO 0.44 0.25 0.39 1.51 0.00 0.00 0.00 174.94 177.52 1a81 s ASP 219 N -1.72 -0.29 -0.22 3.58 1.47 -1.19 -2.54 116.67 115.76 1a81 s ASP 219 Ca 0.16 0.23 -0.14 0.00 1.18 0.00 0.00 52.55 53.97 1a81 s ASP 219 Cb -0.11 0.37 -0.04 0.00 -0.34 0.00 0.00 42.92 42.80 1a81 s ASP 219 CO 0.08 -0.47 0.33 -0.75 0.68 0.00 0.00 175.17 175.03 1a81 s LYS 220 N -1.27 4.13 0.76 2.11 2.20 -1.13 -1.77 119.74 124.76 1a81 s LYS 220 Ca -0.13 0.06 -0.05 0.00 -0.36 0.00 0.00 55.97 55.49 1a81 s LYS 220 Cb -0.04 -3.55 0.13 0.00 -1.51 0.00 0.00 37.83 32.85 1a81 s LYS 220 CO 0.05 -0.04 1.05 0.16 -0.36 0.00 0.00 175.35 176.21 1a81 s ASP 221 N 1.12 4.21 0.18 1.43 -4.77 0.14 -4.83 116.67 114.16 1a81 s ASP 221 Ca 0.16 -0.07 -0.10 0.00 -3.30 0.00 0.00 52.55 49.24 1a81 s ASP 221 Cb -0.15 -0.31 0.24 0.00 -1.09 0.00 0.00 42.92 41.61 1a81 s ASP 221 CO 0.07 -1.96 1.11 2.29 0.70 0.00 0.00 175.17 177.38 1a81 n LYS 222 N -3.02 -0.13 0.00 2.11 -0.00 -1.26 0.11 118.16 115.97 1a81 n LYS 222 Ca 0.13 1.11 0.05 0.00 -0.00 0.00 0.00 58.31 59.60 1a81 n LYS 222 Cb 0.60 -1.65 0.23 0.00 -0.00 0.00 0.00 35.03 34.22 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 -5.10 0.89 -1.94 0.58 -1.04 -1.26 -4.79 114.28 101.62 1a81 n THR 223 Ca 0.09 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 1a81 n THR 223 Cb 0.32 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 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 -0.48 0.48 3.35 3.41 0.00 0.29 -5.03 105.19 107.20 1a81 n GLY 224 Ca 0.04 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.92 3.43 0.06 1.61 1.02 -1.22 -4.85 119.74 115.87 1a81 s LYS 225 Ca 0.00 -0.61 -0.23 0.00 0.02 0.00 0.00 55.97 55.15 1a81 s LYS 225 Cb 0.00 -2.99 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 1a81 s LYS 225 CO 0.00 -0.11 0.70 -0.51 -0.92 0.00 0.00 175.35 174.50 1a81 s LEU 226 N 1.27 4.48 -0.28 3.17 1.02 -0.73 -0.68 118.68 126.94 1a81 s LEU 226 Ca 0.03 1.39 -0.25 0.00 0.02 0.00 0.00 54.13 55.32 1a81 s LEU 226 Cb -0.14 -3.12 0.13 0.00 0.02 0.00 0.00 46.19 43.08 1a81 s LEU 226 CO -0.01 0.11 1.08 -0.94 0.02 0.00 0.00 176.35 176.61 1a81 s SER 227 N -0.46 -0.39 0.64 2.29 1.04 -0.73 -1.38 113.70 114.70 1a81 s SER 227 Ca 0.35 0.74 -0.14 0.00 0.48 0.00 0.00 55.95 57.37 1a81 s SER 227 Cb -0.20 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1a81 s SER 227 CO 0.22 -0.15 1.08 -0.63 0.98 0.00 0.00 173.24 174.74 1a81 s ILE 228 N 0.10 3.62 0.17 -1.02 1.01 -1.26 -3.20 121.20 120.61 1a81 s ILE 228 Ca 0.03 0.71 -0.33 0.00 0.00 0.00 0.00 60.65 61.06 1a81 s ILE 228 Cb -0.05 -3.26 -0.16 0.00 0.01 0.00 0.00 42.46 39.01 1a81 s ILE 228 CO -0.07 -0.51 1.20 -2.65 0.00 0.00 0.00 174.94 172.92 1a81 n PRO 229 N -2.41 1.22 -0.96 2.79 -0.02 -1.26 0.86 135.00 135.22 1a81 n PRO 229 Ca 0.09 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1a81 n PRO 229 Cb 0.53 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.87 -1.57 -3.94 -0.52 -0.58 -1.26 -4.95 120.64 109.69 1a81 n GLU 230 Ca 0.15 0.39 -0.22 0.00 -0.42 0.00 0.00 57.16 57.06 1a81 n GLU 230 Cb 0.24 -4.69 -0.05 0.00 -0.57 0.00 0.00 31.44 26.37 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 1.90 0.81 0.62 0.00 0.25 -5.08 107.32 103.82 1a81 s GLY 231 Ca 0.00 -1.77 -0.17 0.00 0.00 0.00 0.00 44.72 42.78 1a81 s GLY 231 CO 0.00 -1.68 -0.39 1.17 0.00 0.00 0.00 173.10 172.20 1a81 n LYS 232 N -1.28 0.01 -4.78 2.90 4.81 -1.26 -4.44 118.16 114.13 1a81 n LYS 232 Ca -0.02 0.01 -0.32 0.00 -0.87 0.00 0.00 58.31 57.11 1a81 n LYS 232 Cb 0.61 -1.13 -0.13 0.00 0.02 0.00 0.00 35.03 34.40 1a81 n LYS 232 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1a81 s LYS 233 N -1.85 2.41 0.01 1.64 1.02 -1.26 -4.23 119.74 117.47 1a81 s LYS 233 Ca 0.49 -0.77 -0.09 0.00 0.02 0.00 0.00 55.97 55.62 1a81 s LYS 233 Cb -0.30 -2.35 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 1a81 s LYS 233 CO 0.74 0.60 0.19 -0.06 -0.92 0.00 0.00 175.35 175.90 1a81 s PHE 234 N -0.82 -0.00 0.23 3.18 0.40 -0.48 -4.71 117.98 115.78 1a81 s PHE 234 Ca 0.13 -0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.44 1a81 s PHE 234 Cb -0.11 -0.01 0.21 0.00 0.51 0.00 0.00 43.02 43.62 1a81 s PHE 234 CO 0.03 -0.34 1.53 -0.44 0.70 0.00 0.00 175.22 176.70 1a81 h ASP 235 N 4.03 0.18 -4.97 1.36 3.32 -1.44 -1.93 116.42 116.98 1a81 h ASP 235 Ca -0.31 -0.12 -0.35 0.00 0.02 0.00 0.00 57.03 56.28 1a81 h ASP 235 Cb 1.19 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.54 1a81 h ASP 235 CO 0.42 0.80 -0.59 0.42 -1.72 0.00 0.00 179.24 178.57 1a81 s THR 236 N -3.57 0.29 -0.12 0.35 -4.23 -1.26 -4.70 115.64 102.40 1a81 s THR 236 Ca -0.03 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.65 1a81 s THR 236 Cb 0.12 -2.55 -0.19 0.00 1.34 0.00 0.00 72.50 71.22 1a81 s THR 236 CO 0.79 0.00 0.61 0.18 -0.54 0.00 0.00 174.62 175.67 1a81 n LEU 237 N -0.46 0.59 0.27 4.79 4.77 -1.26 -2.11 117.00 123.58 1a81 n LEU 237 Ca 0.01 0.26 0.18 0.00 -0.03 0.00 0.00 56.01 56.44 1a81 n LEU 237 Cb 0.65 0.16 0.92 0.00 -2.33 0.00 0.00 43.42 42.83 1a81 n LEU 237 CO 0.35 0.23 1.15 4.11 -1.33 0.00 0.00 177.39 181.90 1a81 h TRP 238 N 0.00 0.00 0.00 -1.77 5.08 -1.94 -0.39 115.95 116.94 1a81 h TRP 238 Ca -0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.73 1a81 h TRP 238 Cb 1.70 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.86 1a81 h TRP 238 CO 0.00 0.00 -0.22 1.96 -1.28 0.00 0.00 178.44 178.90 1a81 h GLN 239 N 0.00 0.00 -0.44 0.12 4.20 -1.92 -3.13 115.11 113.94 1a81 h GLN 239 Ca 0.05 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1a81 h GLN 239 Cb 0.41 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 1a81 h GLN 239 CO -0.00 0.00 -0.26 -0.11 -0.67 0.00 0.00 178.83 177.79 1a81 n LEU 240 N -3.82 -0.47 0.05 1.46 0.00 -0.72 -1.12 117.00 112.38 1a81 n LEU 240 Ca -0.03 1.05 -0.05 0.00 0.00 0.00 0.00 56.01 56.98 1a81 n LEU 240 Cb 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 43.42 43.28 1a81 n LEU 240 CO 0.05 -0.77 0.50 0.58 0.00 0.00 0.00 177.39 177.75 1a81 h VAL 241 N 0.00 0.00 -1.01 1.96 2.07 -1.30 0.59 116.25 118.56 1a81 h VAL 241 Ca 0.07 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.94 1a81 h VAL 241 Cb 0.18 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.85 1a81 h VAL 241 CO -0.42 0.00 0.64 1.21 0.02 0.00 0.00 177.57 179.02 1a81 n GLU 242 N -3.19 -0.03 -0.06 1.57 0.00 -0.27 -0.05 120.64 118.61 1a81 n GLU 242 Ca -0.03 0.94 -0.04 0.00 0.00 0.00 0.00 57.16 58.03 1a81 n GLU 242 Cb 0.12 -1.84 -0.03 0.00 0.00 0.00 0.00 31.44 29.68 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 0.00 4.31 2.76 -0.11 -3.33 115.15 118.78 1a81 h HIS 243 Ca 0.65 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.82 1a81 h HIS 243 Cb 2.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 31.04 1a81 h HIS 243 CO -0.00 0.24 0.07 0.66 -1.30 0.00 0.00 177.93 177.59 1a81 n TYR 244 N -4.69 0.00 -1.51 5.26 4.01 0.93 -0.34 117.16 120.82 1a81 n TYR 244 Ca -0.05 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.43 1a81 n TYR 244 Cb 0.17 -0.30 0.10 0.00 -0.31 0.00 0.00 39.34 39.00 1a81 n TYR 244 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1a81 n SER 245 N -1.28 5.65 0.00 7.72 3.41 0.08 -3.00 113.62 126.21 1a81 n SER 245 Ca 0.00 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 1a81 n SER 245 Cb 0.07 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1a81 n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a81 n TYR 246 N -0.93 0.00 -3.47 7.33 4.19 0.54 -4.73 117.16 120.10 1a81 n TYR 246 Ca 0.53 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.75 1a81 n TYR 246 Cb 0.93 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 40.73 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 0.00 0.42 0.49 2.98 2.20 -1.06 -4.98 119.74 119.78 1a81 s LYS 247 Ca 0.00 1.02 0.29 0.00 -0.36 0.00 0.00 55.97 56.91 1a81 s LYS 247 Cb 0.00 0.61 1.37 0.00 -1.51 0.00 0.00 37.83 38.29 1a81 s LYS 247 CO 0.00 -0.18 1.81 0.00 -0.36 0.00 0.00 175.35 176.62 1a81 h ALA 248 N 7.76 2.72 -5.77 3.13 0.00 -1.81 -3.39 119.26 121.91 1a81 h ALA 248 Ca -0.17 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.33 1a81 h ALA 248 Cb 1.12 0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.71 1a81 h ALA 248 CO 0.09 -1.07 -0.60 -3.47 0.00 0.00 0.00 179.25 174.21 1a81 n ASP 249 N -4.37 -1.20 0.00 0.00 2.03 -1.26 0.42 116.55 112.17 1a81 n ASP 249 Ca 0.24 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.73 1a81 n ASP 249 Cb 1.04 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1a81 n ASP 249 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a81 n GLY 250 N -0.87 1.93 3.78 0.27 0.00 -1.26 -4.87 105.19 104.17 1a81 n GLY 250 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 2.31 0.45 0.99 1.43 0.17 -4.93 118.68 119.09 1a81 s LEU 251 Ca 0.00 1.22 0.25 0.00 -1.03 0.00 0.00 54.13 54.57 1a81 s LEU 251 Cb 0.00 -3.69 0.85 0.00 0.03 0.00 0.00 46.19 43.38 1a81 s LEU 251 CO 0.00 -2.31 1.79 -0.07 0.23 0.00 0.00 176.35 175.99 1a81 h LEU 252 N -1.33 0.00 -8.04 1.79 4.07 -2.00 -3.47 115.31 106.34 1a81 h LEU 252 Ca -0.49 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.46 1a81 h LEU 252 Cb 1.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 1a81 h LEU 252 CO 0.59 0.17 0.22 0.00 -1.08 0.00 0.00 178.44 178.34 1a81 s ARG 253 N -3.52 2.07 0.22 1.13 1.70 -1.26 -5.09 118.95 114.19 1a81 s ARG 253 Ca 0.02 -1.33 0.00 0.00 -0.47 0.00 0.00 55.73 53.96 1a81 s ARG 253 Cb 0.09 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 35.03 1a81 s ARG 253 CO 0.63 -0.95 0.40 0.54 -1.08 0.00 0.00 175.30 174.84 1a81 s VAL 254 N -2.87 5.21 0.49 4.99 0.11 -1.26 -4.58 120.40 122.49 1a81 s VAL 254 Ca 0.15 -0.47 -0.22 0.00 -2.93 0.00 0.00 61.98 58.52 1a81 s VAL 254 Cb -0.05 -3.76 -0.07 0.00 -1.53 0.00 0.00 36.38 30.97 1a81 s VAL 254 CO 0.11 -0.23 1.15 -0.76 -3.33 0.00 0.00 175.10 172.04 1a81 s LEU 255 N -3.50 3.91 0.00 2.54 1.43 -1.16 -4.66 118.68 117.23 1a81 s LEU 255 Ca 0.38 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1a81 s LEU 255 Cb -0.11 -4.37 0.00 0.00 0.03 0.00 0.00 46.19 41.74 1a81 s LEU 255 CO 0.30 -1.04 0.00 0.35 0.23 0.00 0.00 176.35 176.19 1a81 n THR 256 N -0.80 0.00 -4.31 5.49 -2.24 0.71 -4.67 114.28 108.46 1a81 n THR 256 Ca 0.09 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.53 1a81 n THR 256 Cb 0.49 -0.29 -0.14 0.00 -2.10 0.00 0.00 70.33 68.29 1a81 n THR 256 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1a81 s VAL 257 N 0.00 3.35 -0.27 2.28 -7.23 -1.17 -5.00 120.40 112.36 1a81 s VAL 257 Ca 0.00 -0.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 1a81 s VAL 257 Cb 0.00 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 1a81 s VAL 257 CO 0.00 0.47 1.76 -2.16 -0.31 0.00 0.00 175.10 174.86 1a81 s PRO 258 N 0.86 3.53 0.20 4.82 0.04 -1.26 -1.47 135.00 141.72 1a81 s PRO 258 Ca -0.02 1.59 -0.31 0.00 0.04 0.00 0.00 61.00 62.29 1a81 s PRO 258 Cb -0.15 -4.14 -0.15 0.00 0.04 0.00 0.00 34.50 30.09 1a81 s PRO 258 CO 0.01 -1.63 1.10 0.00 0.04 0.00 0.00 177.00 176.52 1a81 s GLN 260 N -0.70 4.63 0.23 0.00 2.00 -1.26 -4.49 119.66 120.08 1a81 s GLN 260 Ca 0.69 1.62 -0.30 0.00 -2.00 0.00 0.00 55.36 55.37 1a81 s GLN 260 Cb -0.82 -3.31 -0.09 0.00 0.80 0.00 0.00 33.01 29.59 1a81 s GLN 260 CO 0.54 0.12 0.96 -1.59 -0.50 0.00 0.00 175.29 174.83 1a81 s LYS 261 N -0.22 4.82 0.00 1.67 -2.85 -1.26 -5.00 119.74 116.90 1a81 s LYS 261 Ca 0.49 1.53 0.00 0.00 -1.00 0.00 0.00 55.97 56.99 1a81 s LYS 261 Cb -0.27 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.22 1a81 s LYS 261 CO 0.33 0.45 0.10 -0.89 0.10 0.00 0.00 175.35 175.44