#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa8 s ILE 3 N 0.00 0.81 0.13 -1.33 1.01 -1.26 -0.57 121.20 119.99 2pa8 s ILE 3 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.34 2pa8 s ILE 3 Cb 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 2pa8 s ILE 3 CO 0.00 0.26 -0.09 0.20 0.00 0.00 0.00 174.94 175.31 2pa8 s ASN 4 N 0.38 1.56 0.08 3.58 0.01 -0.50 -4.96 114.94 115.09 2pa8 s ASN 4 Ca -0.06 -1.00 -0.26 0.00 -0.71 0.00 0.00 52.86 50.83 2pa8 s ASN 4 Cb -0.11 0.03 -0.06 0.00 0.41 0.00 0.00 41.25 41.52 2pa8 s ASN 4 CO 0.01 -0.37 0.79 -0.76 -1.51 0.00 0.00 177.10 175.25 2pa8 s LEU 5 N -3.10 4.49 -0.07 0.60 1.43 -1.26 -0.61 118.68 120.15 2pa8 s LEU 5 Ca 0.15 1.53 0.09 0.00 -1.03 0.00 0.00 54.13 54.86 2pa8 s LEU 5 Cb 0.03 -3.28 -0.12 0.00 0.03 0.00 0.00 46.19 42.85 2pa8 s LEU 5 CO -0.01 0.06 0.08 -0.11 0.23 0.00 0.00 176.35 176.59 2pa8 n LEU 6 N 2.51 0.00 -3.58 1.79 7.94 -0.02 -4.87 117.00 120.76 2pa8 n LEU 6 Ca -0.03 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.71 2pa8 n LEU 6 Cb 0.50 0.17 -0.07 0.00 0.53 0.00 0.00 43.42 44.55 2pa8 n LEU 6 CO 0.47 0.17 0.40 -2.28 -1.11 0.00 0.00 177.39 175.05 2pa8 s HIS 7 N -2.34 -0.69 -0.29 1.96 2.46 -1.11 -4.90 115.29 110.38 2pa8 s HIS 7 Ca -0.04 1.41 -0.03 0.00 0.47 0.00 0.00 55.06 56.86 2pa8 s HIS 7 Cb 0.04 0.34 0.17 0.00 -0.13 0.00 0.00 32.58 32.99 2pa8 s HIS 7 CO 0.39 -0.50 0.58 0.21 -2.47 0.00 0.00 174.74 172.95 2pa8 s LYS 8 N -0.54 0.54 0.19 2.88 2.47 -1.25 -1.51 119.74 122.52 2pa8 s LYS 8 Ca -0.06 1.06 0.04 0.00 -1.56 0.00 0.00 55.97 55.45 2pa8 s LYS 8 Cb -0.02 0.52 -0.01 0.00 -1.46 0.00 0.00 37.83 36.86 2pa8 s LYS 8 CO 0.06 -0.52 0.13 -0.40 0.16 0.00 0.00 175.35 174.79 2pa8 n ASP 9 N 5.43 0.02 0.02 1.43 3.85 -0.20 -5.02 116.55 122.08 2pa8 n ASP 9 Ca -0.04 -2.19 0.21 0.00 -0.71 0.00 0.00 54.79 52.06 2pa8 n ASP 9 Cb 0.50 0.81 0.72 0.00 -1.35 0.00 0.00 41.12 41.80 2pa8 n ASP 9 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2pa8 h ASP 10 N 1.05 0.00 0.00 -1.12 3.32 -2.03 -3.26 116.42 114.38 2pa8 h ASP 10 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2pa8 h ASP 10 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2pa8 h ASP 10 CO 0.21 0.00 -0.97 0.35 -1.72 0.00 0.00 179.24 177.11 2pa8 n THR 11 N -4.20 0.00 -4.93 0.35 -2.24 -1.26 -4.47 114.28 97.54 2pa8 n THR 11 Ca 0.09 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.55 2pa8 n THR 11 Cb 0.62 -0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 68.29 2pa8 n THR 11 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2pa8 s ARG 12 N -1.96 2.50 -0.03 -0.78 3.52 -1.23 0.21 118.95 121.18 2pa8 s ARG 12 Ca 0.00 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.89 2pa8 s ARG 12 Cb 0.00 -2.36 0.02 0.00 -1.56 0.00 0.00 34.95 31.06 2pa8 s ARG 12 CO 0.00 0.60 -0.01 0.42 -0.81 0.00 0.00 175.30 175.50 2pa8 s ILE 13 N -0.68 0.25 -0.08 4.11 1.01 0.20 -1.03 121.20 124.97 2pa8 s ILE 13 Ca 0.10 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.80 2pa8 s ILE 13 Cb -0.11 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 2pa8 s ILE 13 CO 0.01 0.15 -0.17 -1.81 0.00 0.00 0.00 174.94 173.12 2pa8 s ASP 14 N 0.87 3.76 0.15 3.58 1.11 -0.57 -1.08 116.67 124.50 2pa8 s ASP 14 Ca -0.09 -0.33 0.11 0.00 0.18 0.00 0.00 52.55 52.42 2pa8 s ASP 14 Cb -0.13 -1.11 -0.04 0.00 1.07 0.00 0.00 42.92 42.71 2pa8 s ASP 14 CO -0.01 0.26 -0.25 -0.76 1.18 0.00 0.00 175.17 175.59 2pa8 s LEU 15 N -0.21 2.37 -0.23 1.23 1.43 0.12 -0.84 118.68 122.55 2pa8 s LEU 15 Ca -0.00 -0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 52.30 2pa8 s LEU 15 Cb -0.13 -1.15 0.03 0.00 0.03 0.00 0.00 46.19 44.97 2pa8 s LEU 15 CO 0.03 0.13 -0.10 -0.69 0.23 0.00 0.00 176.35 175.96 2pa8 s VAL 16 N -1.35 2.61 -0.12 -1.59 1.01 0.21 -1.03 120.40 120.14 2pa8 s VAL 16 Ca 0.16 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2pa8 s VAL 16 Cb -0.09 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 2pa8 s VAL 16 CO 0.07 0.25 0.22 -0.36 0.00 0.00 0.00 175.10 175.29 2pa8 s PHE 17 N 1.29 3.56 -0.04 5.22 0.40 0.18 -1.41 117.98 127.19 2pa8 s PHE 17 Ca 0.00 0.60 0.01 0.00 -0.60 0.00 0.00 56.93 56.94 2pa8 s PHE 17 Cb -0.16 -2.13 0.02 0.00 0.51 0.00 0.00 43.02 41.27 2pa8 s PHE 17 CO -0.06 0.54 -0.03 -2.00 0.70 0.00 0.00 175.22 174.37 2pa8 s GLU 18 N -0.50 0.58 0.00 0.44 2.12 0.26 -1.16 118.70 120.44 2pa8 s GLU 18 Ca 0.16 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2pa8 s GLU 18 Cb -0.13 -0.66 0.00 0.00 0.26 0.00 0.00 34.13 33.60 2pa8 s GLU 18 CO 0.05 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 2pa8 n GLY 19 N 4.02 1.77 3.85 -1.50 0.00 -1.04 0.60 105.19 112.88 2pa8 n GLY 19 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 2pa8 n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pa8 s TYR 20 N -2.73 3.66 0.39 1.61 1.51 -1.26 -4.95 117.35 115.58 2pa8 s TYR 20 Ca 0.00 0.91 -0.25 0.00 -1.01 0.00 0.00 57.07 56.72 2pa8 s TYR 20 Cb 0.00 -2.24 -0.09 0.00 -0.11 0.00 0.00 41.96 39.52 2pa8 s TYR 20 CO 0.00 0.58 1.14 -1.25 -1.11 0.00 0.00 175.55 174.91 2pa8 s PRO 21 N -1.49 4.13 0.39 -1.71 0.04 -1.26 -4.92 135.00 130.18 2pa8 s PRO 21 Ca 0.29 1.78 0.10 0.00 0.04 0.00 0.00 61.00 63.21 2pa8 s PRO 21 Cb -0.15 -2.70 0.88 0.00 0.04 0.00 0.00 34.50 32.57 2pa8 s PRO 21 CO 0.16 -0.24 1.92 1.25 0.04 0.00 0.00 177.00 180.13 2pa8 h LEU 22 N 2.72 0.55 -1.96 -3.56 5.85 -1.97 -0.17 115.31 116.77 2pa8 h LEU 22 Ca -0.48 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 2pa8 h LEU 22 Cb 1.23 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2pa8 h LEU 22 CO 0.63 0.31 -0.10 1.05 -0.34 0.00 0.00 178.44 179.99 2pa8 h GLU 23 N 0.60 0.00 0.06 1.25 9.09 -1.99 -0.54 114.58 123.06 2pa8 h GLU 23 Ca 0.37 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.57 2pa8 h GLU 23 Cb 0.59 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.71 2pa8 h GLU 23 CO -0.14 0.10 -0.85 0.35 0.05 0.00 0.00 179.01 178.52 2pa8 h PHE 24 N 0.00 0.74 -0.56 2.06 3.57 -1.40 -2.07 116.94 119.27 2pa8 h PHE 24 Ca -0.00 -0.45 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 2pa8 h PHE 24 Cb 0.31 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2pa8 h PHE 24 CO 0.00 1.29 0.29 0.28 -2.23 0.00 0.00 178.31 177.94 2pa8 h VAL 25 N -0.03 1.20 0.00 1.41 2.07 -1.15 -1.29 116.25 118.45 2pa8 h VAL 25 Ca -0.12 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 2pa8 h VAL 25 Cb 1.58 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2pa8 h VAL 25 CO 0.16 0.22 -0.35 0.78 0.02 0.00 0.00 177.57 178.40 2pa8 h ASN 26 N 0.75 0.00 -0.44 0.57 -0.26 -1.19 -1.42 115.58 113.59 2pa8 h ASN 26 Ca 0.19 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.79 2pa8 h ASN 26 Cb 0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 2pa8 h ASN 26 CO -0.03 0.35 -0.28 0.00 -1.06 0.00 0.00 177.43 176.42 2pa8 h ALA 27 N 1.65 0.65 -0.50 -0.83 0.00 -0.62 -2.07 119.26 117.54 2pa8 h ALA 27 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 2pa8 h ALA 27 Cb 0.72 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2pa8 h ALA 27 CO 0.05 0.68 -0.10 0.82 0.00 0.00 0.00 179.25 180.70 2pa8 h ILE 28 N 0.82 1.26 0.00 0.00 1.08 -0.95 0.49 117.51 120.22 2pa8 h ILE 28 Ca 0.09 -1.21 0.02 0.00 -0.39 0.00 0.00 64.86 63.37 2pa8 h ILE 28 Cb 0.86 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 2pa8 h ILE 28 CO 0.08 0.42 -0.11 -0.09 -0.69 0.00 0.00 178.15 177.76 2pa8 h ARG 29 N 0.83 -0.19 -0.37 2.37 2.43 -1.00 -0.21 114.38 118.24 2pa8 h ARG 29 Ca 0.14 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 2pa8 h ARG 29 Cb 0.63 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2pa8 h ARG 29 CO 0.04 -0.12 -0.29 0.00 -1.51 0.00 0.00 179.97 178.09 2pa8 h ARG 30 N -0.19 0.85 -0.85 0.20 3.08 -1.27 -3.12 114.38 113.08 2pa8 h ARG 30 Ca 0.04 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 59.68 2pa8 h ARG 30 Cb 0.24 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2pa8 h ARG 30 CO -0.11 1.06 0.56 0.00 -1.07 0.00 0.00 179.97 180.41 2pa8 h ALA 31 N 0.77 1.38 -0.18 0.04 0.00 -0.73 0.03 119.26 120.58 2pa8 h ALA 31 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2pa8 h ALA 31 Cb 0.86 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2pa8 h ALA 31 CO 0.08 0.57 0.00 0.77 0.00 0.00 0.00 179.25 180.67 2pa8 h SER 32 N 1.15 0.23 0.13 0.00 0.02 -0.98 0.11 113.55 114.21 2pa8 h SER 32 Ca 0.31 -0.03 -0.24 0.00 -0.84 0.00 0.00 61.79 61.00 2pa8 h SER 32 Cb -0.13 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.36 2pa8 h SER 32 CO -0.07 0.28 -1.15 0.24 -1.14 0.00 0.00 176.83 174.99 2pa8 h MET 33 N 0.25 0.27 0.00 3.45 2.07 -1.28 -3.41 114.93 116.28 2pa8 h MET 33 Ca 0.06 -0.45 -0.02 0.00 -2.07 0.00 0.00 59.70 57.21 2pa8 h MET 33 Cb 0.17 0.17 -0.00 0.00 -1.87 0.00 0.00 31.60 30.07 2pa8 h MET 33 CO 0.00 1.22 -1.68 1.28 1.07 0.00 0.00 176.91 178.80 2pa8 n LEU 34 N -4.02 0.00 -0.76 1.22 4.77 -0.09 -4.05 117.00 114.08 2pa8 n LEU 34 Ca -0.20 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.86 2pa8 n LEU 34 Cb 0.86 0.03 0.22 0.00 -2.33 0.00 0.00 43.42 42.20 2pa8 n LEU 34 CO 0.44 0.03 0.68 -1.22 -1.33 0.00 0.00 177.39 175.99 2pa8 n TYR 35 N -2.04 0.74 -4.04 -1.77 4.01 0.38 -2.31 117.16 112.13 2pa8 n TYR 35 Ca -0.04 -0.78 -0.34 0.00 -0.16 0.00 0.00 57.90 56.58 2pa8 n TYR 35 Cb 0.42 -0.23 -0.15 0.00 -0.31 0.00 0.00 39.34 39.07 2pa8 n TYR 35 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2pa8 s VAL 36 N -2.34 2.47 0.46 -0.72 1.01 -1.21 -4.86 120.40 115.21 2pa8 s VAL 36 Ca 0.36 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 2pa8 s VAL 36 Cb 0.27 -2.16 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 2pa8 s VAL 36 CO 0.10 0.36 0.91 -2.16 0.00 0.00 0.00 175.10 174.31 2pa8 s PRO 37 N 1.30 3.99 0.13 2.72 0.04 -1.26 -4.36 135.00 137.57 2pa8 s PRO 37 Ca 0.02 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2pa8 s PRO 37 Cb -0.15 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2pa8 s PRO 37 CO -0.08 -0.13 0.02 0.96 0.04 0.00 0.00 177.00 177.81 2pa8 s ILE 38 N -2.41 0.34 -0.21 0.56 -4.36 -0.80 -4.88 121.20 109.44 2pa8 s ILE 38 Ca 0.58 -1.92 -0.20 0.00 -0.26 0.00 0.00 60.65 58.85 2pa8 s ILE 38 Cb -0.10 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 2pa8 s ILE 38 CO 0.26 -0.56 0.60 -0.32 0.24 0.00 0.00 174.94 175.15 2pa8 s MET 39 N -3.97 4.18 0.11 0.37 -2.45 -1.26 -1.33 119.30 114.95 2pa8 s MET 39 Ca 0.21 0.55 -0.07 0.00 -1.25 0.00 0.00 55.69 55.13 2pa8 s MET 39 Cb 0.07 -3.59 -0.01 0.00 1.25 0.00 0.00 34.83 32.54 2pa8 s MET 39 CO 0.01 -0.26 0.16 0.00 1.05 0.00 0.00 175.02 175.98 2pa8 s ALA 40 N 1.98 0.07 0.14 4.11 0.00 -0.64 -4.28 121.76 123.15 2pa8 s ALA 40 Ca 0.27 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 2pa8 s ALA 40 Cb -0.16 0.59 -0.10 0.00 0.00 0.00 0.00 23.12 23.45 2pa8 s ALA 40 CO 0.10 -0.52 1.65 0.08 0.00 0.00 0.00 175.76 177.07 2pa8 s VAL 41 N -3.92 2.62 -0.20 0.00 1.01 -1.26 -1.68 120.40 116.97 2pa8 s VAL 41 Ca 0.10 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.45 2pa8 s VAL 41 Cb 0.05 -3.21 -0.14 0.00 0.00 0.00 0.00 36.38 33.08 2pa8 s VAL 41 CO -0.07 0.02 -0.16 -0.67 0.00 0.00 0.00 175.10 174.22 2pa8 n ASP 42 N 4.63 2.21 -3.75 3.32 -0.08 0.12 -4.86 116.55 118.14 2pa8 n ASP 42 Ca 0.15 -0.10 -0.13 0.00 -1.51 0.00 0.00 54.79 53.20 2pa8 n ASP 42 Cb 0.38 -0.19 -0.09 0.00 2.34 0.00 0.00 41.12 43.56 2pa8 n ASP 42 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2pa8 s ASP 43 N -5.92 -0.24 -0.04 1.67 1.01 -1.06 -5.00 116.67 107.10 2pa8 s ASP 43 Ca -0.26 0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.30 2pa8 s ASP 43 Cb 0.07 0.42 -0.01 0.00 1.01 0.00 0.00 42.92 44.41 2pa8 s ASP 43 CO 0.50 -0.37 -0.17 -0.69 0.21 0.00 0.00 175.17 174.65 2pa8 s VAL 44 N -0.95 1.43 -0.14 -1.27 1.01 -1.26 -0.39 120.40 118.83 2pa8 s VAL 44 Ca -0.10 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2pa8 s VAL 44 Cb -0.04 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2pa8 s VAL 44 CO 0.03 0.41 -0.20 -0.31 0.00 0.00 0.00 175.10 175.03 2pa8 s TYR 45 N -0.08 2.69 -0.39 5.22 2.02 0.16 -4.99 117.35 121.97 2pa8 s TYR 45 Ca -0.01 -1.19 -0.14 0.00 -0.37 0.00 0.00 57.07 55.36 2pa8 s TYR 45 Cb -0.10 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2pa8 s TYR 45 CO 0.01 -0.53 0.27 -0.06 -1.57 0.00 0.00 175.55 173.67 2pa8 s PHE 46 N 0.73 3.24 0.03 2.71 0.40 -1.26 -1.19 117.98 122.63 2pa8 s PHE 46 Ca -0.08 -0.64 -0.16 0.00 -0.60 0.00 0.00 56.93 55.44 2pa8 s PHE 46 Cb -0.16 -2.54 -0.33 0.00 0.51 0.00 0.00 43.02 40.50 2pa8 s PHE 46 CO 0.00 -0.58 1.03 0.82 0.70 0.00 0.00 175.22 177.19 2pa8 h ILE 47 N 5.67 1.31 -2.29 0.64 2.04 -1.40 -3.47 117.51 120.02 2pa8 h ILE 47 Ca -0.27 -2.58 -0.06 0.00 1.00 0.00 0.00 64.86 62.95 2pa8 h ILE 47 Cb 1.12 2.93 -0.23 0.00 -0.74 0.00 0.00 36.82 39.91 2pa8 h ILE 47 CO 0.71 0.77 -0.04 -0.70 0.00 0.00 0.00 178.15 178.88 2pa8 s GLU 48 N -2.73 0.66 -0.35 2.37 2.12 -0.69 -4.96 118.70 115.12 2pa8 s GLU 48 Ca -0.10 0.89 0.05 0.00 0.36 0.00 0.00 54.97 56.17 2pa8 s GLU 48 Cb 0.04 0.26 0.17 0.00 0.26 0.00 0.00 34.13 34.87 2pa8 s GLU 48 CO 0.93 -0.10 0.50 1.21 -0.54 0.00 0.00 175.26 177.25 2pa8 s ASN 49 N 0.66 -0.33 -0.27 -1.70 2.47 -1.26 -0.01 114.94 114.50 2pa8 s ASN 49 Ca -0.03 -0.74 0.10 0.00 0.42 0.00 0.00 52.86 52.62 2pa8 s ASN 49 Cb -0.05 1.38 0.51 0.00 -1.45 0.00 0.00 41.25 41.65 2pa8 s ASN 49 CO -0.04 -0.26 1.47 -0.46 -3.72 0.00 0.00 177.10 174.09 2pa8 n ASN 50 N 4.77 2.78 -3.93 -4.21 6.94 -0.73 -4.97 115.26 115.91 2pa8 n ASN 50 Ca 0.07 -3.62 -0.30 0.00 -0.02 0.00 0.00 54.58 50.72 2pa8 n ASN 50 Cb 0.51 -0.62 0.22 0.00 -2.36 0.00 0.00 39.78 37.53 2pa8 n ASN 50 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2pa8 s SER 51 N -2.38 1.96 0.00 0.53 1.04 -1.26 -4.61 113.70 108.98 2pa8 s SER 51 Ca 0.44 0.42 0.29 0.00 0.48 0.00 0.00 55.95 57.58 2pa8 s SER 51 Cb 0.40 -0.54 1.22 0.00 0.10 0.00 0.00 66.02 67.20 2pa8 s SER 51 CO 0.02 -3.46 1.91 -0.81 0.98 0.00 0.00 173.24 171.88 2pa8 n PRO 52 N -4.28 0.04 -3.77 4.02 -0.04 -1.26 -4.75 135.00 124.96 2pa8 n PRO 52 Ca 0.15 -0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.24 2pa8 n PRO 52 Cb 0.59 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 2pa8 n PRO 52 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pa8 s LEU 53 N -2.96 3.86 0.74 1.53 1.43 -1.26 -5.08 118.68 116.94 2pa8 s LEU 53 Ca 0.15 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 2pa8 s LEU 53 Cb 0.19 -2.03 0.04 0.00 0.03 0.00 0.00 46.19 44.43 2pa8 s LEU 53 CO 0.53 0.05 1.12 -0.72 0.23 0.00 0.00 176.35 177.56 2pa8 s TYR 54 N 1.12 2.42 0.14 0.29 -0.85 -1.26 -4.74 117.35 114.46 2pa8 s TYR 54 Ca 0.06 1.59 -0.23 0.00 -0.52 0.00 0.00 57.07 57.97 2pa8 s TYR 54 Cb -0.14 -3.18 -0.01 0.00 0.38 0.00 0.00 41.96 39.01 2pa8 s TYR 54 CO 0.04 -1.98 1.21 -0.25 -1.52 0.00 0.00 175.55 173.06 2pa8 n ASP 55 N -3.09 -0.78 -0.21 -0.18 9.92 -1.26 -1.01 116.55 119.94 2pa8 n ASP 55 Ca 0.10 1.40 0.12 0.00 -0.53 0.00 0.00 54.79 55.88 2pa8 n ASP 55 Cb 0.52 -0.20 0.42 0.00 -0.64 0.00 0.00 41.12 41.22 2pa8 n ASP 55 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2pa8 h GLU 56 N 0.00 0.58 -0.27 -1.24 4.57 -1.99 -0.41 114.58 115.83 2pa8 h GLU 56 Ca 0.15 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2pa8 h GLU 56 Cb 0.35 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2pa8 h GLU 56 CO -0.75 0.39 0.18 0.82 -1.18 0.00 0.00 179.01 178.46 2pa8 h ILE 57 N 0.60 1.07 -0.32 2.32 1.08 -1.41 -0.12 117.51 120.73 2pa8 h ILE 57 Ca 0.38 -0.14 -0.08 0.00 -0.39 0.00 0.00 64.86 64.63 2pa8 h ILE 57 Cb 0.65 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 2pa8 h ILE 57 CO -0.15 0.07 -0.13 -0.07 -0.69 0.00 0.00 178.15 177.19 2pa8 h LEU 58 N 0.36 0.67 -0.86 1.44 3.38 -1.18 -1.87 115.31 117.25 2pa8 h LEU 58 Ca 0.10 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2pa8 h LEU 58 Cb -0.03 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2pa8 h LEU 58 CO -0.02 0.91 0.52 0.00 0.09 0.00 0.00 178.44 179.94 2pa8 h ALA 59 N 0.78 1.10 -0.52 1.53 0.00 -0.97 -0.73 119.26 120.45 2pa8 h ALA 59 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2pa8 h ALA 59 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2pa8 h ALA 59 CO 0.04 0.56 0.16 1.25 0.00 0.00 0.00 179.25 181.26 2pa8 h HIS 60 N 1.19 0.84 -0.57 0.00 -0.00 -0.92 -2.46 115.15 113.22 2pa8 h HIS 60 Ca 0.31 -0.09 -0.10 0.00 -0.00 0.00 0.00 60.37 60.49 2pa8 h HIS 60 Cb -0.05 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.10 2pa8 h HIS 60 CO -0.00 0.72 -0.04 -0.09 -0.00 0.00 0.00 177.93 178.53 2pa8 h ARG 61 N 0.71 1.02 -0.50 5.26 2.43 -0.85 -2.75 114.38 119.69 2pa8 h ARG 61 Ca 0.17 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 2pa8 h ARG 61 Cb 0.29 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2pa8 h ARG 61 CO -0.00 1.02 0.18 -0.07 -1.51 0.00 0.00 179.97 179.58 2pa8 h LEU 62 N 0.92 0.67 -0.14 3.80 3.38 -1.02 -0.29 115.31 122.64 2pa8 h LEU 62 Ca 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2pa8 h LEU 62 Cb 0.59 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2pa8 h LEU 62 CO 0.04 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2pa8 n ALA 63 N -2.46 1.74 1.05 1.53 0.00 -0.94 -1.88 120.51 119.55 2pa8 n ALA 63 Ca 0.04 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.56 2pa8 n ALA 63 Cb 0.17 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.40 2pa8 n ALA 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pa8 n LEU 64 N -1.66 1.36 -4.66 0.00 4.77 -0.14 -4.78 117.00 111.89 2pa8 n LEU 64 Ca 0.04 -0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 2pa8 n LEU 64 Cb 0.20 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2pa8 n LEU 64 CO 0.16 0.28 0.67 -0.63 -1.33 0.00 0.00 177.39 176.54 2pa8 s ILE 65 N -2.70 4.83 0.21 -0.08 -1.09 -0.79 -5.02 121.20 116.57 2pa8 s ILE 65 Ca 0.16 1.68 -0.30 0.00 -2.23 0.00 0.00 60.65 59.95 2pa8 s ILE 65 Cb 0.18 -4.16 -0.08 0.00 -1.58 0.00 0.00 42.46 36.81 2pa8 s ILE 65 CO 0.66 -0.04 0.97 -2.16 -1.23 0.00 0.00 174.94 173.15 2pa8 s PRO 66 N 2.56 4.78 -0.05 2.79 0.04 -1.26 -4.86 135.00 139.00 2pa8 s PRO 66 Ca 0.38 1.54 0.04 0.00 0.04 0.00 0.00 61.00 62.99 2pa8 s PRO 66 Cb -0.16 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 2pa8 s PRO 66 CO 0.10 0.39 -0.15 -0.06 0.04 0.00 0.00 177.00 177.32 2pa8 s PHE 67 N -0.87 2.68 0.00 0.56 0.40 -1.26 -1.58 117.98 117.91 2pa8 s PHE 67 Ca 0.43 -0.18 -0.33 0.00 -0.60 0.00 0.00 56.93 56.25 2pa8 s PHE 67 Cb -0.26 -1.63 -0.12 0.00 0.51 0.00 0.00 43.02 41.52 2pa8 s PHE 67 CO 0.33 0.17 1.83 -1.33 0.70 0.00 0.00 175.22 176.92 2pa8 n MET 68 N 2.34 2.35 -0.00 0.44 2.81 0.34 -4.46 117.12 120.94 2pa8 n MET 68 Ca -0.17 0.86 0.01 0.00 -1.81 0.00 0.00 57.70 56.58 2pa8 n MET 68 Cb 0.52 -2.71 0.01 0.00 -0.71 0.00 0.00 33.22 30.32 2pa8 n MET 68 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2pa8 n SER 69 N 6.04 1.16 0.07 7.83 7.64 -0.23 -4.40 113.62 131.74 2pa8 n SER 69 Ca 0.21 -1.11 -0.14 0.00 1.01 0.00 0.00 58.87 58.84 2pa8 n SER 69 Cb 0.32 -0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.45 2pa8 n SER 69 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2pa8 h GLU 70 N 0.20 -0.57 -0.40 1.43 4.57 -1.89 -2.14 114.58 115.78 2pa8 h GLU 70 Ca 0.00 0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 2pa8 h GLU 70 Cb 0.08 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2pa8 h GLU 70 CO 0.00 -0.38 -0.12 0.93 -1.18 0.00 0.00 179.01 178.26 2pa8 h GLU 71 N -0.59 0.72 -0.64 1.92 5.08 -1.91 -3.10 114.58 116.06 2pa8 h GLU 71 Ca 0.04 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2pa8 h GLU 71 Cb 0.65 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2pa8 h GLU 71 CO -0.30 0.82 0.42 0.00 -1.00 0.00 0.00 179.01 178.95 2pa8 h ALA 72 N 1.21 1.67 -0.22 3.43 0.00 -1.75 -1.71 119.26 121.88 2pa8 h ALA 72 Ca 0.11 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2pa8 h ALA 72 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2pa8 h ALA 72 CO 0.04 0.26 0.16 -0.07 0.00 0.00 0.00 179.25 179.64 2pa8 h LEU 73 N 0.74 0.00 0.00 0.00 3.38 -1.32 0.31 115.31 118.43 2pa8 h LEU 73 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2pa8 h LEU 73 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2pa8 h LEU 73 CO -0.07 0.00 -1.46 0.47 0.09 0.00 0.00 178.44 177.47 2pa8 n ASP 74 N -4.47 0.45 -0.01 -0.43 8.00 -0.71 -4.54 116.55 114.86 2pa8 n ASP 74 Ca 0.02 -0.32 0.07 0.00 0.71 0.00 0.00 54.79 55.28 2pa8 n ASP 74 Cb 0.30 1.39 -0.11 0.00 -0.02 0.00 0.00 41.12 42.68 2pa8 n ASP 74 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2pa8 n THR 75 N -2.00 0.00 -4.17 -3.53 -2.24 -0.83 -5.00 114.28 96.51 2pa8 n THR 75 Ca -0.00 -0.32 -0.26 0.00 -2.27 0.00 0.00 64.05 61.20 2pa8 n THR 75 Cb 0.47 0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.85 2pa8 n THR 75 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2pa8 s TYR 76 N -2.95 2.94 0.31 4.78 1.51 0.04 -5.00 117.35 118.97 2pa8 s TYR 76 Ca -0.05 -0.11 -0.28 0.00 -1.01 0.00 0.00 57.07 55.62 2pa8 s TYR 76 Cb 0.09 -1.40 -0.09 0.00 -0.11 0.00 0.00 41.96 40.45 2pa8 s TYR 76 CO 0.59 0.53 1.11 1.03 -1.11 0.00 0.00 175.55 177.70 2pa8 s ARG 77 N -3.16 4.50 0.78 -0.62 0.52 0.04 -4.83 118.95 116.18 2pa8 s ARG 77 Ca 0.29 1.78 -0.11 0.00 -0.52 0.00 0.00 55.73 57.17 2pa8 s ARG 77 Cb -0.09 -3.04 0.06 0.00 0.52 0.00 0.00 34.95 32.40 2pa8 s ARG 77 CO 0.21 0.09 1.10 -1.58 0.02 0.00 0.00 175.30 175.14 2pa8 s TRP 78 N -1.26 2.94 0.30 -0.53 0.52 -1.26 -4.68 118.94 114.97 2pa8 s TRP 78 Ca 0.48 1.12 0.05 0.00 0.02 0.00 0.00 56.10 57.76 2pa8 s TRP 78 Cb -0.31 -3.12 0.81 0.00 -1.15 0.00 0.00 33.47 29.70 2pa8 s TRP 78 CO 0.39 -1.65 1.63 -1.35 0.02 0.00 0.00 176.95 176.00 2pa8 h PRO 79 N -1.00 0.17 -0.19 4.98 0.11 -1.93 -0.58 132.00 133.57 2pa8 h PRO 79 Ca -0.47 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.69 2pa8 h PRO 79 Cb 1.27 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2pa8 h PRO 79 CO 0.60 0.12 0.16 0.93 -0.21 0.00 0.00 178.00 179.60 2pa8 h GLU 80 N 0.18 0.00 -0.70 1.05 3.07 -1.97 -0.29 114.58 115.92 2pa8 h GLU 80 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 2pa8 h GLU 80 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2pa8 h GLU 80 CO -0.69 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.31 2pa8 n GLU 81 N -4.16 2.92 -2.61 2.33 4.71 -0.23 -4.35 120.64 119.25 2pa8 n GLU 81 Ca 0.02 -2.63 -0.11 0.00 -0.01 0.00 0.00 57.16 54.42 2pa8 n GLU 81 Cb 0.29 -1.64 0.03 0.00 -1.01 0.00 0.00 31.44 29.11 2pa8 n GLU 81 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2pa8 s ILE 83 N -3.90 4.62 -1.24 0.00 -1.09 -1.23 -4.21 121.20 114.14 2pa8 s ILE 83 Ca 0.33 0.99 -0.13 0.00 -2.23 0.00 0.00 60.65 59.61 2pa8 s ILE 83 Cb 0.40 -4.31 -0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2pa8 s ILE 83 CO -0.02 -0.56 0.65 -0.62 -1.23 0.00 0.00 174.94 173.16 2pa8 n GLU 84 N 6.72 -2.08 -2.94 2.79 -0.58 -1.26 -4.92 120.64 118.37 2pa8 n GLU 84 Ca 0.05 0.42 -0.41 0.00 -0.42 0.00 0.00 57.16 56.81 2pa8 n GLU 84 Cb 0.48 -4.23 -0.04 0.00 -0.57 0.00 0.00 31.44 27.08 2pa8 n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pa8 s THR 86 N 1.10 0.34 0.09 0.00 2.01 -1.26 -4.95 115.64 112.98 2pa8 s THR 86 Ca 0.41 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.40 2pa8 s THR 86 Cb -0.18 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2pa8 s THR 86 CO 0.19 0.18 0.00 1.21 -0.69 0.00 0.00 174.62 175.51 2pa8 n GLU 87 N 4.09 -3.36 -2.54 4.92 2.13 -1.26 -4.83 120.64 119.79 2pa8 n GLU 87 Ca -0.26 2.59 -0.06 0.00 0.66 0.00 0.00 57.16 60.09 2pa8 n GLU 87 Cb 0.51 -2.77 0.03 0.00 0.27 0.00 0.00 31.44 29.47 2pa8 n GLU 87 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2pa8 n ASN 88 N 1.16 -2.24 -1.06 4.31 3.02 -1.26 -4.97 115.26 114.22 2pa8 n ASN 88 Ca 0.00 -0.20 -0.02 0.00 -0.03 0.00 0.00 54.58 54.32 2pa8 n ASN 88 Cb 0.00 -2.05 0.20 0.00 -0.61 0.00 0.00 39.78 37.32 2pa8 n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pa8 h GLU 90 N 1.00 0.00 -0.01 0.00 5.08 -1.93 0.15 114.58 118.87 2pa8 h GLU 90 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2pa8 h GLU 90 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2pa8 h GLU 90 CO 0.32 0.01 -0.23 1.63 -1.00 0.00 0.00 179.01 179.74 2pa8 n LYS 91 N -4.32 0.67 -0.07 2.33 5.02 -1.26 -4.06 118.16 116.48 2pa8 n LYS 91 Ca -0.03 -0.34 -0.04 0.00 -2.02 0.00 0.00 58.31 55.88 2pa8 n LYS 91 Cb 0.10 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.48 2pa8 n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pa8 s TYR 93 N -2.63 1.10 0.08 0.00 1.51 -0.70 -4.37 117.35 112.34 2pa8 s TYR 93 Ca -0.08 -0.80 0.00 0.00 -1.01 0.00 0.00 57.07 55.18 2pa8 s TYR 93 Cb 0.07 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 2pa8 s TYR 93 CO 0.72 -0.01 -0.04 -0.08 -1.11 0.00 0.00 175.55 175.03 2pa8 s THR 94 N -3.30 0.44 0.21 -0.71 -1.32 -0.62 -4.72 115.64 105.62 2pa8 s THR 94 Ca 0.13 -1.87 0.11 0.00 -1.21 0.00 0.00 61.69 58.85 2pa8 s THR 94 Cb 0.03 -1.63 -0.05 0.00 -1.51 0.00 0.00 72.50 69.34 2pa8 s THR 94 CO -0.01 -0.91 -0.21 -0.54 -2.21 0.00 0.00 174.62 170.73 2pa8 s LYS 95 N -3.89 1.52 0.12 7.08 1.02 -1.26 -0.26 119.74 124.07 2pa8 s LYS 95 Ca 0.10 -1.58 0.03 0.00 0.02 0.00 0.00 55.97 54.54 2pa8 s LYS 95 Cb 0.07 -1.71 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 2pa8 s LYS 95 CO -0.07 0.35 -0.08 0.96 -0.92 0.00 0.00 175.35 175.59 2pa8 s ILE 96 N -2.03 0.90 0.02 2.17 -4.36 -0.40 -1.23 121.20 116.28 2pa8 s ILE 96 Ca 0.23 -1.97 -0.05 0.00 -0.26 0.00 0.00 60.65 58.60 2pa8 s ILE 96 Cb -0.06 -1.73 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 2pa8 s ILE 96 CO 0.11 -0.81 0.07 -0.31 0.24 0.00 0.00 174.94 174.25 2pa8 s TYR 97 N -3.44 0.18 -0.05 1.37 1.51 0.77 -1.15 117.35 116.53 2pa8 s TYR 97 Ca 0.13 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 2pa8 s TYR 97 Cb 0.04 -0.14 0.03 0.00 -0.11 0.00 0.00 41.96 41.78 2pa8 s TYR 97 CO -0.02 -0.30 0.02 0.42 -1.11 0.00 0.00 175.55 174.56 2pa8 s ILE 98 N -2.02 0.17 -0.17 2.71 1.01 -0.71 -0.33 121.20 121.87 2pa8 s ILE 98 Ca -0.10 0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 2pa8 s ILE 98 Cb -0.05 -0.36 0.07 0.00 0.01 0.00 0.00 42.46 42.13 2pa8 s ILE 98 CO -0.02 0.22 0.15 -1.61 0.00 0.00 0.00 174.94 173.68 2pa8 s GLU 99 N 1.94 0.11 -0.05 2.79 2.02 -1.26 -0.24 118.70 124.00 2pa8 s GLU 99 Ca 0.03 0.12 -0.28 0.00 0.02 0.00 0.00 54.97 54.86 2pa8 s GLU 99 Cb -0.12 -1.37 0.06 0.00 0.10 0.00 0.00 34.13 32.80 2pa8 s GLU 99 CO -0.04 -0.62 0.62 0.00 0.02 0.00 0.00 175.26 175.24 2pa8 s ALA 100 N 2.23 -1.60 0.12 5.21 0.00 -0.41 -5.02 121.76 122.30 2pa8 s ALA 100 Ca 0.04 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.23 2pa8 s ALA 100 Cb -0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2pa8 s ALA 100 CO -0.10 -0.35 -0.11 -2.00 0.00 0.00 0.00 175.76 173.20 2pa8 s GLU 101 N -1.14 0.95 -0.02 0.00 2.12 -1.26 -1.23 118.70 118.13 2pa8 s GLU 101 Ca -0.11 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 53.97 2pa8 s GLU 101 Cb -0.01 -0.67 -0.04 0.00 0.26 0.00 0.00 34.13 33.67 2pa8 s GLU 101 CO 0.09 0.11 0.04 0.00 -0.54 0.00 0.00 175.26 174.95 2pa8 s ALA 102 N -2.53 3.42 0.62 6.30 0.00 -0.34 -5.00 121.76 124.23 2pa8 s ALA 102 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2pa8 s ALA 102 Cb -0.02 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2pa8 s ALA 102 CO 0.01 0.66 0.00 -0.35 0.00 0.00 0.00 175.76 176.08 2pa8 n PRO 103 N 1.42 3.37 -0.05 0.00 -0.04 -1.26 -1.54 135.00 136.90 2pa8 n PRO 103 Ca -0.15 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2pa8 n PRO 103 Cb 0.53 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 2pa8 n PRO 103 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2pa8 n ASN 104 N 0.00 2.07 -3.77 3.54 5.15 -1.26 -1.01 115.26 119.97 2pa8 n ASN 104 Ca 0.00 -2.06 -0.13 0.00 -0.60 0.00 0.00 54.58 51.79 2pa8 n ASN 104 Cb 0.00 -0.51 -0.12 0.00 -0.53 0.00 0.00 39.78 38.62 2pa8 n ASN 104 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2pa8 s GLU 105 N -0.67 0.28 0.55 1.20 -1.05 -1.26 -4.92 118.70 112.83 2pa8 s GLU 105 Ca 0.03 0.40 -0.19 0.00 -0.15 0.00 0.00 54.97 55.06 2pa8 s GLU 105 Cb 0.02 0.09 -0.08 0.00 -0.44 0.00 0.00 34.13 33.72 2pa8 s GLU 105 CO 0.01 -0.06 0.74 -2.30 0.95 0.00 0.00 175.26 174.59 2pa8 n PRO 106 N 3.23 0.76 -3.76 -4.83 -0.02 -1.26 -4.60 135.00 124.52 2pa8 n PRO 106 Ca -0.16 0.29 -0.25 0.00 -2.02 0.00 0.00 63.50 61.37 2pa8 n PRO 106 Cb 0.57 -1.88 -0.17 0.00 -0.02 0.00 0.00 33.50 32.00 2pa8 n PRO 106 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2pa8 s ARG 107 N -2.25 0.65 0.03 -0.52 3.52 -0.20 -4.95 118.95 115.23 2pa8 s ARG 107 Ca 0.70 -0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 2pa8 s ARG 107 Cb -0.46 -1.36 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 2pa8 s ARG 107 CO 0.53 -0.41 1.04 1.41 -0.81 0.00 0.00 175.30 177.05 2pa8 s MET 108 N 1.93 4.54 -0.23 5.12 -2.45 -1.26 -0.83 119.30 126.12 2pa8 s MET 108 Ca 0.03 1.52 -0.12 0.00 -1.25 0.00 0.00 55.69 55.87 2pa8 s MET 108 Cb -0.14 -3.42 -0.05 0.00 1.25 0.00 0.00 34.83 32.48 2pa8 s MET 108 CO -0.06 -0.07 0.22 0.42 1.05 0.00 0.00 175.02 176.58 2pa8 s ILE 109 N 0.87 5.32 0.42 10.11 -1.09 0.92 -4.96 121.20 132.80 2pa8 s ILE 109 Ca 0.53 0.32 0.07 0.00 -2.23 0.00 0.00 60.65 59.35 2pa8 s ILE 109 Cb -0.24 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2pa8 s ILE 109 CO 0.29 0.32 0.26 -0.31 -1.23 0.00 0.00 174.94 174.26 2pa8 s TYR 110 N 1.11 2.58 0.67 3.97 1.51 -1.26 -0.40 117.35 125.53 2pa8 s TYR 110 Ca 0.11 -0.57 0.42 0.00 -1.01 0.00 0.00 57.07 56.01 2pa8 s TYR 110 Cb -0.14 -2.03 2.30 0.00 -0.11 0.00 0.00 41.96 41.99 2pa8 s TYR 110 CO 0.05 0.05 2.30 0.66 -1.11 0.00 0.00 175.55 177.51 2pa8 h SER 111 N 1.26 0.00 0.58 2.29 4.64 -0.99 0.16 113.55 121.48 2pa8 h SER 111 Ca -0.42 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 2pa8 h SER 111 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2pa8 h SER 111 CO 0.65 0.00 -0.10 0.07 -0.87 0.00 0.00 176.83 176.58 2pa8 h LYS 112 N 0.00 0.00 0.00 4.77 2.10 -1.68 -2.08 116.57 119.69 2pa8 h LYS 112 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2pa8 h LYS 112 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2pa8 h LYS 112 CO -0.00 0.10 0.00 -0.25 -2.00 0.00 0.00 179.45 177.30 2pa8 n ASP 113 N -3.39 0.00 -4.70 7.07 8.00 0.55 -4.79 116.55 119.29 2pa8 n ASP 113 Ca -0.01 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2pa8 n ASP 113 Cb 0.27 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 2pa8 n ASP 113 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pa8 s ILE 114 N -2.66 4.43 -0.17 0.53 1.01 -0.78 -4.64 121.20 118.91 2pa8 s ILE 114 Ca 0.24 1.74 -0.07 0.00 0.00 0.00 0.00 60.65 62.56 2pa8 s ILE 114 Cb 0.19 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2pa8 s ILE 114 CO 0.46 0.06 0.07 -0.54 0.00 0.00 0.00 174.94 174.99 2pa8 s LYS 115 N 1.65 3.86 -0.03 2.79 1.02 0.55 -4.93 119.74 124.66 2pa8 s LYS 115 Ca 0.54 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.24 2pa8 s LYS 115 Cb -0.24 -3.20 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 2pa8 s LYS 115 CO 0.24 0.37 -0.06 -1.12 -0.92 0.00 0.00 175.35 173.86 2pa8 s SER 116 N 0.10 4.71 0.16 2.83 0.01 -1.26 -0.16 113.70 120.10 2pa8 s SER 116 Ca 0.06 -0.06 -0.07 0.00 1.31 0.00 0.00 55.95 57.18 2pa8 s SER 116 Cb -0.12 -1.16 0.03 0.00 0.21 0.00 0.00 66.02 64.98 2pa8 s SER 116 CO 0.00 0.32 1.48 -0.08 0.41 0.00 0.00 173.24 175.38 2pa8 h GLU 117 N 4.86 0.74 -4.93 12.44 4.81 -1.49 -3.40 114.58 127.61 2pa8 h GLU 117 Ca -0.49 -0.44 -0.65 0.00 -0.13 0.00 0.00 59.36 57.65 2pa8 h GLU 117 Cb 1.17 0.04 -0.23 0.00 0.63 0.00 0.00 28.75 30.36 2pa8 h GLU 117 CO 0.53 1.06 -0.63 0.34 -0.73 0.00 0.00 179.01 179.59 2pa8 s ASP 118 N -6.90 5.11 0.61 1.04 -1.08 -1.26 -5.00 116.67 109.18 2pa8 s ASP 118 Ca -0.09 -0.27 0.31 0.00 -0.52 0.00 0.00 52.55 51.97 2pa8 s ASP 118 Cb 0.11 -1.91 1.72 0.00 -1.46 0.00 0.00 42.92 41.37 2pa8 s ASP 118 CO 0.86 -0.06 2.08 -0.65 0.52 0.00 0.00 175.17 177.93 2pa8 h PRO 119 N 8.24 0.00 0.00 4.34 0.11 -2.00 -1.92 132.00 140.76 2pa8 h PRO 119 Ca -0.38 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.60 2pa8 h PRO 119 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2pa8 h PRO 119 CO 0.58 0.00 -1.06 0.66 -0.21 0.00 0.00 178.00 177.98 2pa8 h SER 120 N 0.00 0.00 -2.34 -2.05 4.64 -1.95 -3.40 113.55 108.45 2pa8 h SER 120 Ca 0.08 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.66 2pa8 h SER 120 Cb 0.54 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.44 2pa8 h SER 120 CO -0.00 0.50 1.22 -0.69 -0.87 0.00 0.00 176.83 176.99 2pa8 s VAL 121 N -2.97 5.12 0.18 0.95 1.01 -0.72 -4.55 120.40 119.41 2pa8 s VAL 121 Ca -0.00 -2.65 0.05 0.00 0.00 0.00 0.00 61.98 59.39 2pa8 s VAL 121 Cb 0.08 -4.87 -0.05 0.00 0.00 0.00 0.00 36.38 31.55 2pa8 s VAL 121 CO 0.79 -1.56 -0.10 0.68 0.00 0.00 0.00 175.10 174.90 2pa8 s VAL 122 N 1.35 1.35 0.61 2.92 -7.23 -1.26 -4.77 120.40 113.37 2pa8 s VAL 122 Ca 0.41 -2.11 -0.19 0.00 -1.81 0.00 0.00 61.98 58.28 2pa8 s VAL 122 Cb -0.04 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2pa8 s VAL 122 CO -0.01 -0.64 1.25 -0.81 -0.31 0.00 0.00 175.10 174.58 2pa8 n PRO 123 N -0.29 1.22 0.27 4.82 -0.04 -1.26 -0.51 135.00 139.20 2pa8 n PRO 123 Ca -0.09 0.47 0.15 0.00 -0.04 0.00 0.00 63.50 63.99 2pa8 n PRO 123 Cb 0.61 -2.47 0.88 0.00 -0.04 0.00 0.00 33.50 32.47 2pa8 n PRO 123 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2pa8 h ILE 124 N 0.75 0.53 -3.18 0.52 3.07 -1.62 -3.43 117.51 114.14 2pa8 h ILE 124 Ca -0.50 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 65.80 2pa8 h ILE 124 Cb 1.34 0.95 -0.18 0.00 -0.27 0.00 0.00 36.82 38.65 2pa8 h ILE 124 CO 0.54 0.00 -0.27 -0.94 -1.05 0.00 0.00 178.15 176.43 2pa8 s SER 125 N -6.07 -0.15 -0.04 2.16 1.04 -1.26 -5.03 113.70 104.34 2pa8 s SER 125 Ca -0.05 -0.06 0.20 0.00 0.48 0.00 0.00 55.95 56.52 2pa8 s SER 125 Cb 0.15 0.33 0.65 0.00 0.10 0.00 0.00 66.02 67.25 2pa8 s SER 125 CO 0.55 -0.53 1.54 0.61 0.98 0.00 0.00 173.24 176.39 2pa8 n GLY 126 N 0.92 2.39 1.41 7.32 0.00 -1.26 -4.32 105.19 111.64 2pa8 n GLY 126 Ca -0.20 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.13 2pa8 n GLY 126 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pa8 n ASP 127 N 1.37 4.54 -4.62 1.61 2.03 -1.26 -2.11 116.55 118.11 2pa8 n ASP 127 Ca 0.24 -2.53 -0.42 0.00 0.52 0.00 0.00 54.79 52.60 2pa8 n ASP 127 Cb 0.69 -0.55 -0.05 0.00 -0.72 0.00 0.00 41.12 40.49 2pa8 n ASP 127 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2pa8 s ILE 128 N -2.00 4.83 0.19 5.18 1.01 -1.26 -4.87 121.20 124.27 2pa8 s ILE 128 Ca 0.47 1.18 -0.31 0.00 0.00 0.00 0.00 60.65 61.99 2pa8 s ILE 128 Cb 0.32 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 2pa8 s ILE 128 CO 0.20 -0.20 1.44 -2.16 0.00 0.00 0.00 174.94 174.22 2pa8 s PRO 129 N 2.88 4.28 -0.07 2.79 0.04 -1.26 -0.69 135.00 142.97 2pa8 s PRO 129 Ca 0.31 2.23 -0.09 0.00 0.04 0.00 0.00 61.00 63.49 2pa8 s PRO 129 Cb -0.14 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2pa8 s PRO 129 CO 0.12 -0.45 -0.19 -0.89 0.04 0.00 0.00 177.00 175.63 2pa8 n ILE 130 N 3.20 1.27 -3.68 0.56 5.41 0.47 -4.90 119.36 121.68 2pa8 n ILE 130 Ca 0.10 0.18 -0.14 0.00 1.00 0.00 0.00 62.75 63.89 2pa8 n ILE 130 Cb 0.41 -1.93 -0.08 0.00 -0.71 0.00 0.00 39.64 37.32 2pa8 n ILE 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2pa8 s VAL 131 N -2.44 0.00 -0.41 1.39 0.11 -1.12 -5.00 120.40 112.94 2pa8 s VAL 131 Ca -0.16 -0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.71 2pa8 s VAL 131 Cb 0.03 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 2pa8 s VAL 131 CO 0.23 -0.00 0.43 -0.22 -3.33 0.00 0.00 175.10 172.21 2pa8 s LEU 132 N 0.28 4.81 -0.07 2.54 1.98 -1.26 -0.05 118.68 126.91 2pa8 s LEU 132 Ca -0.00 -0.62 -0.29 0.00 -2.89 0.00 0.00 54.13 50.32 2pa8 s LEU 132 Cb -0.04 -2.38 -0.02 0.00 0.66 0.00 0.00 46.19 44.41 2pa8 s LEU 132 CO 0.01 -0.55 0.99 -0.76 -1.89 0.00 0.00 176.35 174.14 2pa8 s LEU 133 N 2.13 4.29 0.96 -0.68 1.43 -0.01 -4.56 118.68 122.23 2pa8 s LEU 133 Ca 0.12 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 2pa8 s LEU 133 Cb -0.17 -3.54 0.16 0.00 0.03 0.00 0.00 46.19 42.67 2pa8 s LEU 133 CO 0.13 -0.38 1.12 -0.83 0.23 0.00 0.00 176.35 176.62 2pa8 s GLY 134 N 1.06 1.57 0.17 -3.19 0.00 -1.26 -1.04 107.32 104.63 2pa8 s GLY 134 Ca 0.49 -0.46 -0.33 0.00 0.00 0.00 0.00 44.72 44.42 2pa8 s GLY 134 CO 0.21 0.13 1.30 -1.30 0.00 0.00 0.00 173.10 173.44 2pa8 n THR 135 N -3.97 0.61 -0.98 0.90 -2.24 -1.26 -1.77 114.28 105.56 2pa8 n THR 135 Ca 0.06 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2pa8 n THR 135 Cb 0.58 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2pa8 n THR 135 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pa8 n ASN 136 N 2.32 -5.11 -4.88 3.42 3.02 -0.18 -4.99 115.26 108.85 2pa8 n ASN 136 Ca 0.15 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.40 2pa8 n ASN 136 Cb 0.25 -2.81 -0.03 0.00 -0.61 0.00 0.00 39.78 36.58 2pa8 n ASN 136 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2pa8 s GLN 137 N -1.53 3.74 0.05 3.52 -0.21 -0.73 -4.75 119.66 119.75 2pa8 s GLN 137 Ca 0.00 0.39 0.02 0.00 0.02 0.00 0.00 55.36 55.78 2pa8 s GLN 137 Cb 0.00 -2.42 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 2pa8 s GLN 137 CO 0.00 -0.02 -0.07 0.21 -2.12 0.00 0.00 175.29 173.29 2pa8 s LYS 138 N -3.90 0.57 -0.02 2.91 2.20 -1.26 -1.20 119.74 119.04 2pa8 s LYS 138 Ca 0.50 -0.89 0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2pa8 s LYS 138 Cb -0.10 -0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.04 2pa8 s LYS 138 CO 0.32 0.01 -0.02 0.42 -0.36 0.00 0.00 175.35 175.72 2pa8 s ILE 139 N -2.01 0.31 -0.10 5.43 1.01 -0.36 -1.78 121.20 123.69 2pa8 s ILE 139 Ca -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 2pa8 s ILE 139 Cb -0.06 -0.34 0.05 0.00 0.01 0.00 0.00 42.46 42.13 2pa8 s ILE 139 CO -0.01 0.14 0.14 -0.55 0.00 0.00 0.00 174.94 174.66 2pa8 s SER 140 N 0.61 1.13 0.15 3.58 0.15 0.99 -1.28 113.70 119.03 2pa8 s SER 140 Ca -0.07 0.08 -0.05 0.00 0.70 0.00 0.00 55.95 56.61 2pa8 s SER 140 Cb -0.10 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2pa8 s SER 140 CO -0.01 -0.27 0.18 -1.48 1.20 0.00 0.00 173.24 172.87 2pa8 s LEU 141 N 2.25 1.31 -0.04 3.45 0.05 0.66 -0.92 118.68 125.45 2pa8 s LEU 141 Ca 0.04 -1.03 -0.02 0.00 0.05 0.00 0.00 54.13 53.17 2pa8 s LEU 141 Cb -0.13 0.79 0.02 0.00 -2.05 0.00 0.00 46.19 44.83 2pa8 s LEU 141 CO -0.06 -0.82 0.08 -0.70 -0.55 0.00 0.00 176.35 174.29 2pa8 s GLU 142 N -4.01 0.05 0.10 1.48 2.12 -0.34 -1.73 118.70 116.37 2pa8 s GLU 142 Ca 0.21 0.21 0.08 0.00 0.36 0.00 0.00 54.97 55.83 2pa8 s GLU 142 Cb 0.05 -0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 2pa8 s GLU 142 CO 0.01 -0.11 -0.20 0.00 -0.54 0.00 0.00 175.26 174.43 2pa8 s ALA 143 N 0.73 1.71 -0.13 6.30 0.00 -0.30 0.38 121.76 130.45 2pa8 s ALA 143 Ca -0.06 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 2pa8 s ALA 143 Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2pa8 s ALA 143 CO -0.03 0.32 -0.02 0.50 0.00 0.00 0.00 175.76 176.53 2pa8 s ARG 144 N -1.93 3.39 0.15 0.00 3.52 0.48 -1.27 118.95 123.28 2pa8 s ARG 144 Ca 0.05 -0.47 0.10 0.00 -0.13 0.00 0.00 55.73 55.28 2pa8 s ARG 144 Cb -0.10 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 2pa8 s ARG 144 CO 0.04 0.43 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.23 2pa8 s LEU 145 N -0.15 2.53 0.17 -0.88 1.02 0.64 0.16 118.68 122.18 2pa8 s LEU 145 Ca 0.04 -0.70 -0.10 0.00 0.02 0.00 0.00 54.13 53.38 2pa8 s LEU 145 Cb -0.13 -1.35 -0.00 0.00 0.02 0.00 0.00 46.19 44.73 2pa8 s LEU 145 CO 0.02 0.16 0.32 0.00 0.02 0.00 0.00 176.35 176.87 2pa8 s ARG 146 N -2.30 1.18 0.27 1.70 1.70 -0.68 -1.58 118.95 119.24 2pa8 s ARG 146 Ca 0.18 -1.11 -0.29 0.00 -0.47 0.00 0.00 55.73 54.04 2pa8 s ARG 146 Cb -0.10 0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 2pa8 s ARG 146 CO 0.09 -0.44 0.98 -0.51 -1.08 0.00 0.00 175.30 174.34 2pa8 s LEU 147 N -2.94 4.55 0.09 -1.89 1.43 -1.26 -1.61 118.68 117.04 2pa8 s LEU 147 Ca 0.15 2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 55.10 2pa8 s LEU 147 Cb 0.03 -3.71 0.03 0.00 0.03 0.00 0.00 46.19 42.56 2pa8 s LEU 147 CO -0.01 0.02 0.36 -0.83 0.23 0.00 0.00 176.35 176.12 2pa8 s GLY 148 N -1.21 -0.20 0.10 -3.19 0.00 -0.44 -4.45 107.32 97.93 2pa8 s GLY 148 Ca 0.44 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 45.16 2pa8 s GLY 148 CO 0.32 -0.26 0.22 -0.19 0.00 0.00 0.00 173.10 173.20 2pa8 s TYR 149 N -3.26 3.46 0.56 1.90 1.51 -1.26 -1.91 117.35 118.35 2pa8 s TYR 149 Ca -0.00 0.17 0.29 0.00 -1.01 0.00 0.00 57.07 56.52 2pa8 s TYR 149 Cb 0.01 -1.70 1.76 0.00 -0.11 0.00 0.00 41.96 41.92 2pa8 s TYR 149 CO -0.08 0.55 2.22 0.78 -1.11 0.00 0.00 175.55 177.92 2pa8 h GLY 150 N 2.73 0.00 2.00 0.71 0.00 -1.59 -0.24 103.07 106.69 2pa8 h GLY 150 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2pa8 h GLY 150 CO 0.72 0.00 -0.07 1.70 0.00 0.00 0.00 176.54 178.88 2pa8 h LYS 151 N 0.00 0.00 0.00 4.80 1.63 -1.71 -3.16 116.57 118.13 2pa8 h LYS 151 Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2pa8 h LYS 151 Cb 0.06 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2pa8 h LYS 151 CO 0.00 0.07 -0.16 0.93 -3.45 0.00 0.00 179.45 176.85 2pa8 h GLU 152 N 0.00 0.00 -2.79 1.90 5.08 -1.34 -3.48 114.58 113.94 2pa8 h GLU 152 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2pa8 h GLU 152 Cb 0.16 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.20 2pa8 h GLU 152 CO 0.01 0.84 -0.19 -1.01 -1.00 0.00 0.00 179.01 177.66 2pa8 s HIS 153 N -2.14 -0.32 0.50 4.33 3.76 -1.18 -5.04 115.29 115.19 2pa8 s HIS 153 Ca -0.17 0.59 0.20 0.00 -0.15 0.00 0.00 55.06 55.53 2pa8 s HIS 153 Cb -0.01 0.16 1.27 0.00 1.11 0.00 0.00 32.58 35.11 2pa8 s HIS 153 CO 0.57 -0.39 2.03 0.00 -0.85 0.00 0.00 174.74 176.11 2pa8 h ALA 154 N 4.06 2.25 0.00 -1.40 0.00 -1.90 -0.75 119.26 121.53 2pa8 h ALA 154 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2pa8 h ALA 154 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pa8 h ALA 154 CO 0.36 -0.35 0.00 1.57 0.00 0.00 0.00 179.25 180.83 2pa8 h LYS 155 N 0.10 0.00 -0.02 0.00 2.10 -1.92 -1.58 116.57 115.26 2pa8 h LYS 155 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2pa8 h LYS 155 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2pa8 h LYS 155 CO -0.02 0.00 -0.20 1.19 -2.00 0.00 0.00 179.45 178.42 2pa8 n PHE 156 N -2.55 0.00 -2.28 0.07 3.72 -0.29 -4.89 117.46 111.25 2pa8 n PHE 156 Ca -0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 2pa8 n PHE 156 Cb 0.14 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 2pa8 n PHE 156 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2pa8 s ILE 157 N -2.25 4.01 -1.14 4.37 1.01 -0.60 -3.54 121.20 123.06 2pa8 s ILE 157 Ca 0.26 1.21 0.25 0.00 0.00 0.00 0.00 60.65 62.38 2pa8 s ILE 157 Cb 0.19 -3.83 0.29 0.00 0.01 0.00 0.00 42.46 39.12 2pa8 s ILE 157 CO 0.44 -0.16 1.82 -0.81 0.00 0.00 0.00 174.94 176.23 2pa8 n PRO 158 N 6.93 0.12 -4.40 2.79 -0.04 -1.26 -4.84 135.00 134.31 2pa8 n PRO 158 Ca 0.15 0.06 -0.28 0.00 -0.04 0.00 0.00 63.50 63.40 2pa8 n PRO 158 Cb 0.44 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 2pa8 n PRO 158 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2pa8 s VAL 159 N -2.86 2.26 -0.74 0.52 -7.23 -1.26 -0.77 120.40 110.32 2pa8 s VAL 159 Ca 0.16 -1.85 0.14 0.00 -1.81 0.00 0.00 61.98 58.62 2pa8 s VAL 159 Cb 0.17 -2.02 -0.14 0.00 0.56 0.00 0.00 36.38 34.94 2pa8 s VAL 159 CO 0.43 -0.00 0.63 -1.54 -0.31 0.00 0.00 175.10 174.31 2pa8 n SER 160 N 0.67 0.76 -3.71 4.85 3.41 0.73 -4.80 113.62 115.52 2pa8 n SER 160 Ca -0.16 -0.88 -0.11 0.00 -0.26 0.00 0.00 58.87 57.46 2pa8 n SER 160 Cb 0.54 0.95 -0.11 0.00 -0.26 0.00 0.00 64.21 65.33 2pa8 n SER 160 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2pa8 s LEU 161 N -2.62 0.18 -0.35 1.04 2.96 -1.20 -4.96 118.68 113.72 2pa8 s LEU 161 Ca 0.06 0.79 0.05 0.00 -0.22 0.00 0.00 54.13 54.82 2pa8 s LEU 161 Cb 0.11 1.23 0.17 0.00 0.50 0.00 0.00 46.19 48.20 2pa8 s LEU 161 CO 0.57 -0.17 0.51 -0.94 -1.32 0.00 0.00 176.35 175.00 2pa8 s SER 162 N 1.04 -0.40 0.04 3.68 1.04 -1.23 -1.29 113.70 116.57 2pa8 s SER 162 Ca -0.07 -0.76 0.06 0.00 0.48 0.00 0.00 55.95 55.66 2pa8 s SER 162 Cb -0.07 1.41 -0.02 0.00 0.10 0.00 0.00 66.02 67.44 2pa8 s SER 162 CO -0.08 -0.26 -0.17 -0.69 0.98 0.00 0.00 173.24 173.02 2pa8 s VAL 163 N 2.04 1.38 -0.12 5.02 1.01 -0.26 -4.97 120.40 124.51 2pa8 s VAL 163 Ca 0.14 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2pa8 s VAL 163 Cb -0.10 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 2pa8 s VAL 163 CO -0.14 0.11 -0.20 -0.69 0.00 0.00 0.00 175.10 174.18 2pa8 s VAL 164 N -0.81 2.38 0.24 2.92 1.01 -1.26 -0.38 120.40 124.50 2pa8 s VAL 164 Ca 0.05 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2pa8 s VAL 164 Cb -0.08 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2pa8 s VAL 164 CO 0.01 0.55 0.15 0.00 0.00 0.00 0.00 175.10 175.81 2pa8 s ARG 165 N 0.42 1.36 0.30 2.72 1.70 -0.13 -4.99 118.95 120.33 2pa8 s ARG 165 Ca -0.15 -1.74 -0.06 0.00 -0.47 0.00 0.00 55.73 53.31 2pa8 s ARG 165 Cb -0.17 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.31 2pa8 s ARG 165 CO 0.06 -0.42 0.59 0.71 -1.08 0.00 0.00 175.30 175.16 2pa8 s TYR 166 N -3.93 3.47 -0.45 5.89 1.51 -1.26 -0.82 117.35 121.76 2pa8 s TYR 166 Ca 0.39 0.73 -0.28 0.00 -1.01 0.00 0.00 57.07 56.90 2pa8 s TYR 166 Cb 0.06 -2.17 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 2pa8 s TYR 166 CO 0.15 0.14 1.05 -0.47 -1.11 0.00 0.00 175.55 175.31 2pa8 s TYR 167 N -2.10 2.90 0.57 2.71 5.04 -1.18 -4.74 117.35 120.54 2pa8 s TYR 167 Ca 0.45 0.66 -0.11 0.00 -2.44 0.00 0.00 57.07 55.63 2pa8 s TYR 167 Cb -0.11 -4.16 -0.05 0.00 0.35 0.00 0.00 41.96 38.00 2pa8 s TYR 167 CO 0.29 -1.14 0.97 -1.25 -1.34 0.00 0.00 175.55 173.08 2pa8 s PRO 168 N 4.08 3.67 -0.09 4.97 0.04 -1.26 -1.48 135.00 144.93 2pa8 s PRO 168 Ca 0.43 0.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.14 2pa8 s PRO 168 Cb -0.09 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.33 2pa8 s PRO 168 CO 0.27 -0.42 0.02 0.21 0.04 0.00 0.00 177.00 177.12 2pa8 s LYS 169 N -4.82 0.47 -0.17 4.56 2.20 0.13 -4.78 119.74 117.35 2pa8 s LYS 169 Ca 0.54 0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 56.18 2pa8 s LYS 169 Cb -0.11 -1.16 -0.01 0.00 -1.51 0.00 0.00 37.83 35.05 2pa8 s LYS 169 CO 0.47 -0.39 -0.09 0.08 -0.36 0.00 0.00 175.35 175.06 2pa8 s VAL 170 N 2.00 3.24 -0.08 4.02 1.01 -1.26 -1.60 120.40 127.73 2pa8 s VAL 170 Ca 0.04 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2pa8 s VAL 170 Cb -0.13 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2pa8 s VAL 170 CO -0.06 0.49 -0.20 -1.61 0.00 0.00 0.00 175.10 173.72 2pa8 s GLU 171 N 0.78 2.43 -0.30 2.72 2.02 0.17 -5.00 118.70 121.51 2pa8 s GLU 171 Ca -0.04 -0.73 -0.13 0.00 0.02 0.00 0.00 54.97 54.09 2pa8 s GLU 171 Cb -0.15 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 2pa8 s GLU 171 CO 0.01 0.19 0.29 0.42 0.02 0.00 0.00 175.26 176.19 2pa8 s ILE 172 N 0.28 5.23 -0.19 -1.63 1.01 -1.26 -0.66 121.20 123.99 2pa8 s ILE 172 Ca -0.13 0.18 0.16 0.00 0.00 0.00 0.00 60.65 60.86 2pa8 s ILE 172 Cb -0.16 -3.69 -0.23 0.00 0.01 0.00 0.00 42.46 38.40 2pa8 s ILE 172 CO 0.06 0.09 0.06 0.18 0.00 0.00 0.00 174.94 175.32 2pa8 n LEU 173 N 5.23 0.07 -3.98 2.97 4.77 0.13 -5.00 117.00 121.18 2pa8 n LEU 173 Ca -0.11 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.78 2pa8 n LEU 173 Cb 0.51 0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 41.93 2pa8 n LEU 173 CO 0.37 0.47 -0.26 0.00 -1.33 0.00 0.00 177.39 176.64 2pa8 s ALA 174 N -2.45 0.13 -0.64 -1.18 0.00 -0.76 -5.01 121.76 111.84 2pa8 s ALA 174 Ca -0.10 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 2pa8 s ALA 174 Cb 0.06 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.50 2pa8 s ALA 174 CO 0.76 -0.35 1.18 1.21 0.00 0.00 0.00 175.76 178.56 2pa8 s ASN 175 N -2.46 6.31 -0.59 0.00 2.47 -1.26 -4.76 114.94 114.65 2pa8 s ASN 175 Ca -0.00 -0.22 0.04 0.00 0.42 0.00 0.00 52.86 53.10 2pa8 s ASN 175 Cb 0.02 -2.53 0.15 0.00 -1.45 0.00 0.00 41.25 37.44 2pa8 s ASN 175 CO -0.07 -1.58 0.38 0.00 -3.72 0.00 0.00 177.10 172.11 2pa8 h GLU 177 N 5.89 0.00 -0.08 0.00 3.07 -1.91 -1.81 114.58 119.74 2pa8 h GLU 177 Ca 0.08 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.96 2pa8 h GLU 177 Cb 0.83 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.73 2pa8 h GLU 177 CO 0.65 0.00 0.08 0.87 -1.40 0.00 0.00 179.01 179.20 2pa8 h LYS 178 N 0.00 0.00 -0.33 2.33 1.57 -1.96 -2.65 116.57 115.54 2pa8 h LYS 178 Ca 0.26 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2pa8 h LYS 178 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 2pa8 h LYS 178 CO -0.00 0.00 0.22 0.00 -0.57 0.00 0.00 179.45 179.10 2pa8 h ALA 179 N 1.92 1.88 -0.59 3.86 0.00 -1.68 -3.01 119.26 121.64 2pa8 h ALA 179 Ca 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2pa8 h ALA 179 Cb 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2pa8 h ALA 179 CO -0.00 0.08 0.34 0.28 0.00 0.00 0.00 179.25 179.95 2pa8 h VAL 180 N 0.34 1.01 0.00 0.00 2.07 -1.69 -2.64 116.25 115.34 2pa8 h VAL 180 Ca 0.13 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2pa8 h VAL 180 Cb 0.11 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2pa8 h VAL 180 CO -0.03 0.12 -0.37 0.59 0.02 0.00 0.00 177.57 177.90 2pa8 n ASN 181 N -4.79 0.47 0.05 0.57 3.02 -1.14 -3.98 115.26 109.46 2pa8 n ASN 181 Ca 0.06 0.11 0.11 0.00 -0.03 0.00 0.00 54.58 54.83 2pa8 n ASN 181 Cb 0.12 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 2pa8 n ASN 181 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2pa8 n VAL 182 N -1.75 0.30 -2.72 2.41 0.24 -1.10 -4.86 118.33 110.85 2pa8 n VAL 182 Ca 0.05 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.34 61.45 2pa8 n VAL 182 Cb 0.38 -0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 2pa8 n VAL 182 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pa8 n PRO 184 N 6.53 0.08 -0.03 0.00 -0.04 -1.26 -3.13 135.00 137.15 2pa8 n PRO 184 Ca 0.10 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 2pa8 n PRO 184 Cb 0.47 -1.63 0.11 0.00 -0.04 0.00 0.00 33.50 32.41 2pa8 n PRO 184 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2pa8 n GLU 185 N -1.77 2.13 -2.72 0.54 -0.58 -1.26 -4.98 120.64 112.00 2pa8 n GLU 185 Ca 0.04 -1.88 -0.16 0.00 -0.42 0.00 0.00 57.16 54.74 2pa8 n GLU 185 Cb 0.26 -1.43 0.02 0.00 -0.57 0.00 0.00 31.44 29.72 2pa8 n GLU 185 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pa8 n GLY 186 N 1.27 -0.21 0.22 0.62 0.00 -1.18 -4.89 105.19 101.01 2pa8 n GLY 186 Ca 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2pa8 n GLY 186 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pa8 h VAL 187 N -0.84 1.23 -1.93 1.61 2.07 -1.84 -3.35 116.25 113.20 2pa8 h VAL 187 Ca -0.38 -1.09 -0.53 0.00 0.82 0.00 0.00 66.70 65.51 2pa8 h VAL 187 Cb 1.27 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 32.40 2pa8 h VAL 187 CO 0.42 0.33 -0.53 -0.36 0.02 0.00 0.00 177.57 177.45 2pa8 s PHE 188 N -4.46 2.77 0.24 1.57 0.40 -1.26 0.23 117.98 117.47 2pa8 s PHE 188 Ca -0.05 -0.33 -0.10 0.00 -0.60 0.00 0.00 56.93 55.85 2pa8 s PHE 188 Cb 0.15 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 2pa8 s PHE 188 CO 0.74 0.35 0.40 -1.83 0.70 0.00 0.00 175.22 175.58 2pa8 s GLU 189 N -3.86 1.47 -0.19 0.44 -1.05 0.71 -4.67 118.70 111.55 2pa8 s GLU 189 Ca 0.37 -1.34 -0.05 0.00 -0.15 0.00 0.00 54.97 53.80 2pa8 s GLU 189 Cb -0.04 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.05 2pa8 s GLU 189 CO 0.23 -0.58 0.00 -0.51 0.95 0.00 0.00 175.26 175.35 2pa8 s LEU 190 N -3.05 3.32 -0.39 1.83 1.43 -1.26 -0.17 118.68 120.38 2pa8 s LEU 190 Ca 0.26 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2pa8 s LEU 190 Cb 0.01 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.50 2pa8 s LEU 190 CO 0.10 0.09 0.17 -0.75 0.23 0.00 0.00 176.35 176.19 2pa8 s LYS 191 N 0.83 1.95 -1.12 1.70 2.47 0.17 -4.59 119.74 121.15 2pa8 s LYS 191 Ca 0.01 -1.80 -0.05 0.00 -1.56 0.00 0.00 55.97 52.57 2pa8 s LYS 191 Cb -0.14 -3.51 0.01 0.00 -1.46 0.00 0.00 37.83 32.73 2pa8 s LYS 191 CO 0.02 -1.03 0.97 -0.25 0.16 0.00 0.00 175.35 175.22 2pa8 n ASP 192 N 4.55 -4.66 -0.02 1.43 8.00 -1.26 -1.51 116.55 123.07 2pa8 n ASP 192 Ca -0.02 -0.48 -0.00 0.00 0.71 0.00 0.00 54.79 55.00 2pa8 n ASP 192 Cb 0.42 -4.39 -0.00 0.00 -0.02 0.00 0.00 41.12 37.12 2pa8 n ASP 192 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pa8 n GLY 193 N -1.59 0.31 3.43 0.44 0.00 -1.26 -4.99 105.19 101.52 2pa8 n GLY 193 Ca -0.07 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2pa8 n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pa8 s LYS 194 N -0.94 3.30 0.12 1.61 -0.14 -0.57 -4.86 119.74 118.26 2pa8 s LYS 194 Ca 0.00 -0.64 -0.34 0.00 -1.36 0.00 0.00 55.97 53.63 2pa8 s LYS 194 Cb 0.00 -2.66 -0.14 0.00 -1.68 0.00 0.00 37.83 33.35 2pa8 s LYS 194 CO 0.00 0.30 1.60 -0.11 -0.76 0.00 0.00 175.35 176.39 2pa8 n LEU 195 N 3.28 3.04 -3.99 3.17 -0.00 -1.26 0.43 117.00 121.66 2pa8 n LEU 195 Ca -0.18 1.07 -0.09 0.00 -0.00 0.00 0.00 56.01 56.81 2pa8 n LEU 195 Cb 0.53 -1.40 -0.11 0.00 -0.00 0.00 0.00 43.42 42.44 2pa8 n LEU 195 CO 0.30 -0.31 -0.36 -0.55 -0.00 0.00 0.00 177.39 176.47 2pa8 s SER 196 N 1.32 0.27 -0.29 1.96 0.15 0.76 -4.81 113.70 113.06 2pa8 s SER 196 Ca 0.81 -0.55 -0.25 0.00 0.70 0.00 0.00 55.95 56.67 2pa8 s SER 196 Cb -0.70 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 2pa8 s SER 196 CO 0.40 -0.33 0.84 -0.69 1.20 0.00 0.00 173.24 174.67 2pa8 s VAL 197 N -1.68 4.76 -0.24 4.45 1.01 -1.26 -0.21 120.40 127.23 2pa8 s VAL 197 Ca -0.14 1.36 -0.12 0.00 0.00 0.00 0.00 61.98 63.08 2pa8 s VAL 197 Cb -0.08 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 31.95 2pa8 s VAL 197 CO -0.02 -0.24 -0.10 1.17 0.00 0.00 0.00 175.10 175.91 2pa8 n LYS 198 N 6.25 0.61 -3.42 2.72 4.81 0.14 -4.78 118.16 124.48 2pa8 n LYS 198 Ca 0.05 0.33 -0.26 0.00 -0.87 0.00 0.00 58.31 57.56 2pa8 n LYS 198 Cb 0.48 -1.59 -0.09 0.00 0.02 0.00 0.00 35.03 33.85 2pa8 n LYS 198 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2pa8 n ASN 199 N -4.04 1.49 -0.17 3.14 3.02 -0.52 -5.00 115.26 113.18 2pa8 n ASN 199 Ca -0.45 -2.91 -0.02 0.00 -0.03 0.00 0.00 54.58 51.17 2pa8 n ASN 199 Cb 0.87 -0.65 0.05 0.00 -0.61 0.00 0.00 39.78 39.44 2pa8 n ASN 199 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2pa8 h GLU 200 N 4.66 0.04 0.00 3.52 4.81 -1.87 -1.97 114.58 123.77 2pa8 h GLU 200 Ca 0.16 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2pa8 h GLU 200 Cb 0.81 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2pa8 h GLU 200 CO 0.59 0.02 0.00 1.28 -0.73 0.00 0.00 179.01 180.17 2pa8 n LEU 201 N -5.32 0.00 -0.01 1.64 4.77 -1.26 -2.56 117.00 114.25 2pa8 n LEU 201 Ca 0.05 0.14 0.13 0.00 -0.03 0.00 0.00 56.01 56.30 2pa8 n LEU 201 Cb 0.28 -0.14 0.42 0.00 -2.33 0.00 0.00 43.42 41.65 2pa8 n LEU 201 CO 0.11 -0.06 0.68 -1.20 -1.33 0.00 0.00 177.39 175.59 2pa8 n SER 202 N -1.14 0.31 -4.71 -1.43 7.64 -0.74 -4.83 113.62 108.73 2pa8 n SER 202 Ca 0.10 0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 2pa8 n SER 202 Cb 0.09 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 2pa8 n SER 202 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pa8 n THR 204 N 4.25 1.52 -3.25 0.00 -2.24 -1.26 -4.68 114.28 108.62 2pa8 n THR 204 Ca 0.16 -1.65 -0.15 0.00 -2.27 0.00 0.00 64.05 60.14 2pa8 n THR 204 Cb 0.37 0.10 0.07 0.00 -2.10 0.00 0.00 70.33 68.78 2pa8 n THR 204 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2pa8 n LEU 205 N -0.84 -3.64 -0.06 3.22 7.94 -1.26 -4.91 117.00 117.45 2pa8 n LEU 205 Ca 0.10 -0.51 -0.05 0.00 -1.11 0.00 0.00 56.01 54.44 2pa8 n LEU 205 Cb 0.50 -2.72 0.16 0.00 0.53 0.00 0.00 43.42 41.89 2pa8 n LEU 205 CO 0.02 0.36 0.77 0.00 -1.11 0.00 0.00 177.39 177.44 2pa8 n GLU 207 N -4.15 -0.71 -0.03 0.00 1.02 -1.26 -4.91 120.64 110.60 2pa8 n GLU 207 Ca 0.01 0.46 -0.11 0.00 -0.02 0.00 0.00 57.16 57.50 2pa8 n GLU 207 Cb 0.38 -4.18 0.02 0.00 -0.02 0.00 0.00 31.44 27.64 2pa8 n GLU 207 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2pa8 h GLU 208 N 0.34 0.67 -0.29 3.49 4.39 -1.91 -2.38 114.58 118.89 2pa8 h GLU 208 Ca -0.08 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 2pa8 h GLU 208 Cb 0.47 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2pa8 h GLU 208 CO 0.11 1.04 0.07 0.00 -1.16 0.00 0.00 179.01 179.07 2pa8 h LEU 210 N 0.41 0.00 -0.27 0.00 3.38 -1.87 0.84 115.31 117.80 2pa8 h LEU 210 Ca 0.10 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2pa8 h LEU 210 Cb 0.17 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pa8 h LEU 210 CO -0.00 0.69 -0.22 -0.09 0.09 0.00 0.00 178.44 178.91 2pa8 h ARG 211 N 0.00 0.62 0.00 1.13 2.43 -0.77 -0.30 114.38 117.48 2pa8 h ARG 211 Ca -0.01 -0.31 -0.08 0.00 -0.81 0.00 0.00 59.98 58.77 2pa8 h ARG 211 Cb 1.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2pa8 h ARG 211 CO 0.09 0.90 -0.90 1.88 -1.51 0.00 0.00 179.97 180.44 2pa8 h TYR 212 N 0.34 0.00 -0.01 2.20 -1.99 -1.37 -3.37 116.97 112.77 2pa8 h TYR 212 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2pa8 h TYR 212 Cb 0.77 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.50 2pa8 h TYR 212 CO 0.07 0.31 -0.13 0.00 -0.00 0.00 0.00 178.16 178.41 2pa8 n ASN 214 N 0.09 0.00 0.00 0.00 2.85 -0.13 -1.27 115.26 116.81 2pa8 n ASN 214 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 2pa8 n ASN 214 Cb 0.24 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.26 2pa8 n ASN 214 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pa8 n GLY 215 N 0.02 2.12 0.26 8.20 0.00 -1.26 -4.92 105.19 109.61 2pa8 n GLY 215 Ca 0.00 -0.55 0.17 0.00 0.00 0.00 0.00 46.02 45.65 2pa8 n GLY 215 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pa8 h SER 216 N 1.44 0.00 -4.23 1.61 0.02 -1.50 -3.43 113.55 107.47 2pa8 h SER 216 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2pa8 h SER 216 Cb 0.00 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.24 2pa8 h SER 216 CO 0.00 0.00 -0.83 -0.63 -1.14 0.00 0.00 176.83 174.23 2pa8 s ILE 217 N -3.73 1.35 -0.18 3.27 1.01 -1.26 0.17 121.20 121.84 2pa8 s ILE 217 Ca -0.00 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.93 2pa8 s ILE 217 Cb 0.10 -1.13 0.03 0.00 0.01 0.00 0.00 42.46 41.46 2pa8 s ILE 217 CO 0.44 0.39 -0.16 -0.60 0.00 0.00 0.00 174.94 175.01 2pa8 s ARG 218 N -0.31 2.55 -0.10 2.79 3.52 0.17 -4.95 118.95 122.62 2pa8 s ARG 218 Ca 0.05 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 54.88 2pa8 s ARG 218 Cb -0.08 -2.43 -0.01 0.00 -1.56 0.00 0.00 34.95 30.88 2pa8 s ARG 218 CO -0.00 -0.28 -0.19 0.42 -0.81 0.00 0.00 175.30 174.43 2pa8 s ILE 219 N 1.35 2.50 0.33 4.11 1.01 -1.26 -0.65 121.20 128.59 2pa8 s ILE 219 Ca 0.03 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.85 2pa8 s ILE 219 Cb -0.14 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 2pa8 s ILE 219 CO -0.11 0.55 0.33 -0.94 0.00 0.00 0.00 174.94 174.77 2pa8 s SER 220 N 0.18 1.50 0.04 3.58 1.04 -0.62 -5.00 113.70 114.41 2pa8 s SER 220 Ca -0.11 -1.70 0.03 0.00 0.48 0.00 0.00 55.95 54.65 2pa8 s SER 220 Cb -0.16 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2pa8 s SER 220 CO 0.06 -1.12 -0.10 -0.36 0.98 0.00 0.00 173.24 172.69 2pa8 s PHE 221 N -3.34 0.91 -0.19 5.02 0.40 -1.26 -0.69 117.98 118.83 2pa8 s PHE 221 Ca 0.38 -0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 56.10 2pa8 s PHE 221 Cb 0.02 -0.53 -0.02 0.00 0.51 0.00 0.00 43.02 42.99 2pa8 s PHE 221 CO 0.26 -0.01 0.66 0.54 0.70 0.00 0.00 175.22 177.37 2pa8 s VAL 222 N -1.04 5.00 0.58 -0.44 0.11 -0.55 -4.95 120.40 119.12 2pa8 s VAL 222 Ca -0.04 1.26 -0.19 0.00 -2.93 0.00 0.00 61.98 60.08 2pa8 s VAL 222 Cb -0.08 -3.97 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 2pa8 s VAL 222 CO 0.01 0.11 1.21 -1.61 -3.33 0.00 0.00 175.10 171.49 2pa8 s GLU 223 N 1.88 3.06 0.00 1.54 2.02 -1.26 -2.90 118.70 123.04 2pa8 s GLU 223 Ca 0.30 1.85 0.00 0.00 0.02 0.00 0.00 54.97 57.14 2pa8 s GLU 223 Cb -0.16 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.08 2pa8 s GLU 223 CO 0.11 -1.14 0.00 -3.47 0.02 0.00 0.00 175.26 170.78 2pa8 n ASP 224 N -1.46 -0.90 -4.31 -0.19 4.64 -1.26 -4.98 116.55 108.10 2pa8 n ASP 224 Ca 0.13 0.00 -0.33 0.00 -1.38 0.00 0.00 54.79 53.21 2pa8 n ASP 224 Cb 0.49 -0.87 -0.15 0.00 -1.04 0.00 0.00 41.12 39.55 2pa8 n ASP 224 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2pa8 s LYS 225 N -0.36 3.27 0.06 -0.67 1.02 -1.14 -2.51 119.74 119.42 2pa8 s LYS 225 Ca 0.00 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.30 2pa8 s LYS 225 Cb 0.00 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 2pa8 s LYS 225 CO 0.00 0.13 -0.13 0.71 -0.92 0.00 0.00 175.35 175.14 2pa8 s TYR 226 N 0.53 1.10 -0.13 3.18 1.51 -0.31 -3.11 117.35 120.12 2pa8 s TYR 226 Ca -0.10 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 2pa8 s TYR 226 Cb -0.16 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 2pa8 s TYR 226 CO 0.04 0.03 -0.11 0.42 -1.11 0.00 0.00 175.55 174.82 2pa8 s ILE 227 N -1.25 3.28 -0.12 2.71 1.01 0.00 0.48 121.20 127.31 2pa8 s ILE 227 Ca -0.03 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2pa8 s ILE 227 Cb -0.10 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 2pa8 s ILE 227 CO 0.02 0.53 -0.18 -0.22 0.00 0.00 0.00 174.94 175.08 2pa8 s LEU 228 N 0.22 2.42 -0.15 2.97 2.96 -0.20 -0.96 118.68 125.95 2pa8 s LEU 228 Ca -0.07 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.39 2pa8 s LEU 228 Cb -0.15 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 2pa8 s LEU 228 CO 0.05 0.15 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.48 2pa8 s GLU 229 N 0.44 3.33 -0.03 1.98 2.02 0.48 0.15 118.70 127.07 2pa8 s GLU 229 Ca -0.13 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.18 2pa8 s GLU 229 Cb -0.17 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.41 2pa8 s GLU 229 CO 0.06 0.11 -0.06 0.42 0.02 0.00 0.00 175.26 175.81 2pa8 s ILE 230 N 0.61 0.60 -0.12 -1.63 -1.09 -0.24 -1.10 121.20 118.23 2pa8 s ILE 230 Ca -0.07 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.12 2pa8 s ILE 230 Cb -0.16 -0.58 0.03 0.00 -1.58 0.00 0.00 42.46 40.18 2pa8 s ILE 230 CO 0.03 0.22 -0.05 -0.70 -1.23 0.00 0.00 174.94 173.20 2pa8 s GLU 231 N 0.53 1.32 0.42 2.79 2.12 -0.41 -0.63 118.70 124.83 2pa8 s GLU 231 Ca -0.07 -0.26 -0.23 0.00 0.36 0.00 0.00 54.97 54.77 2pa8 s GLU 231 Cb -0.11 -1.61 -0.09 0.00 0.26 0.00 0.00 34.13 32.58 2pa8 s GLU 231 CO 0.00 -0.33 1.02 0.45 -0.54 0.00 0.00 175.26 175.86 2pa8 s SER 232 N 1.74 6.74 0.29 -1.70 0.15 0.13 -0.19 113.70 120.85 2pa8 s SER 232 Ca 0.04 1.92 0.26 0.00 0.70 0.00 0.00 55.95 58.87 2pa8 s SER 232 Cb -0.13 -2.57 0.85 0.00 -1.71 0.00 0.00 66.02 62.46 2pa8 s SER 232 CO -0.08 -0.50 1.76 -0.37 1.20 0.00 0.00 173.24 175.25 2pa8 h VAL 233 N 2.01 0.00 0.00 4.45 -1.51 -1.26 -3.43 116.25 116.51 2pa8 h VAL 233 Ca -0.49 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 2pa8 h VAL 233 Cb 1.21 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 2pa8 h VAL 233 CO 0.61 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 2pa8 n GLY 234 N 0.79 1.53 0.28 5.19 0.00 -1.26 -4.91 105.19 106.81 2pa8 n GLY 234 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.09 2pa8 n GLY 234 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pa8 h SER 235 N 0.61 0.36 -4.59 1.61 0.02 -1.87 -3.44 113.55 106.25 2pa8 h SER 235 Ca 0.00 -0.03 -0.34 0.00 -0.84 0.00 0.00 61.79 60.58 2pa8 h SER 235 Cb 0.00 -0.09 -0.21 0.00 0.14 0.00 0.00 62.40 62.24 2pa8 h SER 235 CO 0.00 0.34 -0.75 -0.76 -1.14 0.00 0.00 176.83 174.52 2pa8 s LEU 236 N -9.21 2.29 0.46 5.07 1.02 -1.26 -1.07 118.68 115.98 2pa8 s LEU 236 Ca -0.07 -0.62 -0.23 0.00 0.02 0.00 0.00 54.13 53.22 2pa8 s LEU 236 Cb 0.17 -0.33 -0.07 0.00 0.02 0.00 0.00 46.19 45.97 2pa8 s LEU 236 CO 0.73 -0.16 1.22 -0.54 0.02 0.00 0.00 176.35 177.62 2pa8 s LYS 237 N -1.85 3.70 0.39 1.70 1.02 -1.26 -4.79 119.74 118.65 2pa8 s LYS 237 Ca -0.04 1.92 0.10 0.00 0.02 0.00 0.00 55.97 57.97 2pa8 s LYS 237 Cb -0.09 -2.45 0.88 0.00 -0.52 0.00 0.00 37.83 35.64 2pa8 s LYS 237 CO 0.01 -0.64 1.94 -1.00 -0.92 0.00 0.00 175.35 174.73 2pa8 h PRO 238 N 2.08 0.59 0.00 -1.68 0.13 -1.79 0.20 132.00 131.53 2pa8 h PRO 238 Ca -0.50 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 2pa8 h PRO 238 Cb 1.26 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2pa8 h PRO 238 CO 0.60 0.39 -0.29 1.05 -0.23 0.00 0.00 178.00 179.52 2pa8 h GLU 239 N 0.61 0.00 -0.10 0.86 9.09 -1.94 -2.15 114.58 120.95 2pa8 h GLU 239 Ca 0.35 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.55 2pa8 h GLU 239 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 2pa8 h GLU 239 CO -0.12 0.29 -0.76 -0.09 0.05 0.00 0.00 179.01 178.38 2pa8 h ARG 240 N 0.00 0.55 -0.54 1.06 9.65 -1.35 -1.91 114.38 121.85 2pa8 h ARG 240 Ca -0.00 -0.46 -0.03 0.00 -1.10 0.00 0.00 59.98 58.39 2pa8 h ARG 240 Cb 0.85 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.50 2pa8 h ARG 240 CO 0.04 1.09 0.24 0.82 2.80 0.00 0.00 179.97 184.95 2pa8 h ILE 241 N 0.37 1.21 -0.84 1.20 2.04 -1.02 -1.08 117.51 119.39 2pa8 h ILE 241 Ca -0.04 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2pa8 h ILE 241 Cb 1.36 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 2pa8 h ILE 241 CO 0.14 0.24 0.48 -0.07 0.00 0.00 0.00 178.15 178.94 2pa8 h LEU 242 N 0.72 1.03 -0.07 1.44 3.38 -1.27 -0.18 115.31 120.37 2pa8 h LEU 242 Ca 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2pa8 h LEU 242 Cb 0.16 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2pa8 h LEU 242 CO -0.02 0.81 -0.02 0.25 0.09 0.00 0.00 178.44 179.56 2pa8 h LEU 243 N 1.17 0.13 -1.46 1.67 5.85 -1.01 -2.56 115.31 119.10 2pa8 h LEU 243 Ca 0.30 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2pa8 h LEU 243 Cb -0.01 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2pa8 h LEU 243 CO -0.05 0.47 0.15 -0.33 -0.34 0.00 0.00 178.44 178.34 2pa8 h GLU 244 N -0.21 0.51 -0.35 1.25 4.39 -0.98 0.04 114.58 119.22 2pa8 h GLU 244 Ca 0.02 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2pa8 h GLU 244 Cb 0.42 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2pa8 h GLU 244 CO 0.01 0.42 0.23 0.00 -1.16 0.00 0.00 179.01 178.51 2pa8 h ALA 245 N 1.66 0.45 -0.41 3.43 0.00 -0.94 0.51 119.26 123.96 2pa8 h ALA 245 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2pa8 h ALA 245 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2pa8 h ALA 245 CO -0.01 -0.07 0.09 0.78 0.00 0.00 0.00 179.25 180.03 2pa8 h GLY 246 N 0.47 0.72 1.91 0.00 0.00 -0.88 -2.64 103.07 102.65 2pa8 h GLY 246 Ca 0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 2pa8 h GLY 246 CO -0.03 0.43 -0.09 0.50 0.00 0.00 0.00 176.54 177.35 2pa8 h LYS 247 N 0.53 0.12 -0.32 4.80 1.57 -0.67 -1.93 116.57 120.67 2pa8 h LYS 247 Ca 0.13 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 2pa8 h LYS 247 Cb 0.33 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2pa8 h LYS 247 CO 0.00 0.22 -0.27 0.66 -0.57 0.00 0.00 179.45 179.50 2pa8 h SER 248 N 0.12 0.65 -0.29 0.86 4.64 -0.56 -1.27 113.55 117.70 2pa8 h SER 248 Ca 0.03 -0.24 -0.14 0.00 -0.47 0.00 0.00 61.79 60.97 2pa8 h SER 248 Cb 0.24 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2pa8 h SER 248 CO 0.01 0.89 -0.37 0.40 -0.87 0.00 0.00 176.83 176.90 2pa8 h ILE 249 N 0.56 1.30 -0.83 0.95 2.04 -1.08 -2.35 117.51 118.10 2pa8 h ILE 249 Ca 0.07 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 2pa8 h ILE 249 Cb 0.74 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 2pa8 h ILE 249 CO 0.06 0.50 0.40 0.40 0.00 0.00 0.00 178.15 179.51 2pa8 h ILE 250 N 0.51 1.26 -0.49 -0.67 2.04 -1.20 -0.68 117.51 118.28 2pa8 h ILE 250 Ca 0.03 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2pa8 h ILE 250 Cb 0.96 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2pa8 h ILE 250 CO 0.09 0.31 0.26 0.03 0.00 0.00 0.00 178.15 178.83 2pa8 h ARG 251 N 1.17 0.69 -0.49 2.37 3.08 -1.12 -1.05 114.38 119.03 2pa8 h ARG 251 Ca 0.28 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 2pa8 h ARG 251 Cb 0.12 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2pa8 h ARG 251 CO -0.04 0.56 0.12 0.87 -1.07 0.00 0.00 179.97 180.41 2pa8 h LYS 252 N 0.65 0.79 -0.52 0.04 1.57 -1.14 -1.83 116.57 116.11 2pa8 h LYS 252 Ca 0.17 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2pa8 h LYS 252 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2pa8 h LYS 252 CO -0.03 0.76 -0.04 0.97 -0.57 0.00 0.00 179.45 180.55 2pa8 h ILE 253 N 0.67 1.26 -0.33 1.86 6.09 -0.93 -1.13 117.51 125.00 2pa8 h ILE 253 Ca 0.15 -1.13 -0.14 0.00 -1.37 0.00 0.00 64.86 62.37 2pa8 h ILE 253 Cb 0.33 0.90 -0.01 0.00 0.47 0.00 0.00 36.82 38.50 2pa8 h ILE 253 CO 0.00 0.40 -0.36 -0.33 -3.07 0.00 0.00 178.15 174.79 2pa8 h GLU 254 N 0.84 0.76 -0.62 2.19 5.08 -1.11 -1.84 114.58 119.87 2pa8 h GLU 254 Ca 0.15 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2pa8 h GLU 254 Cb 0.55 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2pa8 h GLU 254 CO 0.03 1.00 0.21 1.49 -1.00 0.00 0.00 179.01 180.74 2pa8 h GLU 255 N 0.63 0.95 -0.76 2.33 4.81 -1.08 -1.58 114.58 119.88 2pa8 h GLU 255 Ca 0.06 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2pa8 h GLU 255 Cb 0.90 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 2pa8 h GLU 255 CO 0.08 0.83 0.43 1.25 -0.73 0.00 0.00 179.01 180.88 2pa8 h LEU 256 N 0.88 0.93 -0.43 1.64 5.85 -1.00 -1.96 115.31 121.23 2pa8 h LEU 256 Ca 0.20 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2pa8 h LEU 256 Cb 0.26 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2pa8 h LEU 256 CO -0.01 0.74 0.13 -0.08 -0.34 0.00 0.00 178.44 178.89 2pa8 h GLU 257 N 1.04 0.66 -0.95 1.25 4.81 -0.97 0.58 114.58 121.00 2pa8 h GLU 257 Ca 0.27 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2pa8 h GLU 257 Cb 0.00 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 2pa8 h GLU 257 CO -0.05 0.65 0.58 0.87 -0.73 0.00 0.00 179.01 180.34 2pa8 h LYS 258 N 0.55 1.28 0.03 1.92 1.57 -1.03 -2.29 116.57 118.61 2pa8 h LYS 258 Ca 0.14 -0.11 -0.22 0.00 -1.87 0.00 0.00 60.65 58.59 2pa8 h LYS 258 Cb 0.26 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2pa8 h LYS 258 CO -0.00 0.89 -0.98 0.87 -0.57 0.00 0.00 179.45 179.65 2pa8 h LYS 259 N 1.30 0.25 0.02 3.15 1.57 -1.19 -3.26 116.57 118.42 2pa8 h LYS 259 Ca 0.34 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2pa8 h LYS 259 Cb -0.07 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2pa8 h LYS 259 CO -0.07 1.06 -0.01 1.25 -0.57 0.00 0.00 179.45 181.11 2pa8 h LEU 260 N 0.12 -0.02 -2.18 2.94 6.46 -0.55 -1.97 115.31 120.11 2pa8 h LEU 260 Ca -0.07 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2pa8 h LEU 260 Cb 1.65 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.58 2pa8 h LEU 260 CO 0.16 0.03 -0.07 -0.37 -0.62 0.00 0.00 178.44 177.57 2pa8 h VAL 261 N -0.07 0.48 0.00 1.05 -1.51 -1.53 0.19 116.25 114.86 2pa8 h VAL 261 Ca -0.00 -0.31 -0.05 0.00 -1.23 0.00 0.00 66.70 65.11 2pa8 h VAL 261 Cb 0.07 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 2pa8 h VAL 261 CO 0.00 0.06 -0.64 -0.33 -1.23 0.00 0.00 177.57 175.43 2pa8 h GLU 262 N 0.00 0.00 0.00 5.19 5.08 -1.49 -3.39 114.58 119.97 2pa8 h GLU 262 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2pa8 h GLU 262 Cb 0.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2pa8 h GLU 262 CO 0.01 0.16 -2.02 0.28 -1.00 0.00 0.00 179.01 176.45 2pa8 n VAL 263 N -2.97 1.02 -3.44 3.13 0.31 -0.78 -4.93 118.33 110.67 2pa8 n VAL 263 Ca 0.00 -0.48 -0.41 0.00 -0.01 0.00 0.00 64.34 63.44 2pa8 n VAL 263 Cb 0.64 -0.94 -0.10 0.00 -0.91 0.00 0.00 33.84 32.53 2pa8 n VAL 263 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2pa8 s VAL 264 N -2.36 5.21 -0.59 2.52 1.01 0.60 -5.10 120.40 121.69 2pa8 s VAL 264 Ca -0.18 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.76 2pa8 s VAL 264 Cb 0.06 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.67 2pa8 s VAL 264 CO 0.49 -0.09 0.65 0.29 0.00 0.00 0.00 175.10 176.43