#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p80 s THR 5 N 0.00 2.37 0.22 0.00 -4.23 -1.26 -4.87 115.64 107.88 2p80 s THR 5 Ca 0.00 -0.38 -0.08 0.00 -1.18 0.00 0.00 61.69 60.05 2p80 s THR 5 Cb 0.00 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 71.03 2p80 s THR 5 CO 0.00 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.92 2p80 h ALA 6 N -0.43 1.04 -0.97 3.99 0.00 -2.05 -1.66 119.26 119.17 2p80 h ALA 6 Ca -0.44 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2p80 h ALA 6 Cb 1.31 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2p80 h ALA 6 CO 0.58 0.22 0.64 0.00 0.00 0.00 0.00 179.25 180.69 2p80 h ALA 7 N 1.36 1.31 -0.19 0.00 0.00 -1.99 -0.21 119.26 119.54 2p80 h ALA 7 Ca 0.33 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2p80 h ALA 7 Cb 0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2p80 h ALA 7 CO -0.15 0.64 -0.09 0.93 0.00 0.00 0.00 179.25 180.57 2p80 h GLU 8 N 1.31 0.40 -0.93 0.00 5.08 -1.76 -2.56 114.58 116.12 2p80 h GLU 8 Ca 0.36 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2p80 h GLU 8 Cb -0.14 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 2p80 h GLU 8 CO -0.08 0.69 0.54 0.82 -1.00 0.00 0.00 179.01 179.99 2p80 h ILE 9 N 0.09 1.26 0.00 3.13 2.04 -0.96 -2.06 117.51 121.00 2p80 h ILE 9 Ca 0.04 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 2p80 h ILE 9 Cb 0.57 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2p80 h ILE 9 CO 0.03 0.28 -0.24 0.00 0.00 0.00 0.00 178.15 178.22 2p80 h ALA 10 N 1.30 1.53 -0.02 1.87 0.00 -0.94 -2.60 119.26 120.40 2p80 h ALA 10 Ca 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2p80 h ALA 10 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2p80 h ALA 10 CO -0.06 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2p80 n ALA 11 N -2.46 2.62 -1.89 0.00 0.00 -0.78 -4.88 120.51 113.11 2p80 n ALA 11 Ca -0.02 -0.33 -0.36 0.00 0.00 0.00 0.00 53.44 52.73 2p80 n ALA 11 Cb 0.30 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 2p80 n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p80 s LEU 12 N -1.92 4.30 0.34 0.00 1.43 -0.98 -5.01 118.68 116.84 2p80 s LEU 12 Ca 0.40 1.68 -0.29 0.00 -1.03 0.00 0.00 54.13 54.89 2p80 s LEU 12 Cb 0.20 -3.92 -0.11 0.00 0.03 0.00 0.00 46.19 42.40 2p80 s LEU 12 CO 0.33 -0.06 1.49 -2.84 0.23 0.00 0.00 176.35 175.50 2p80 s PRO 13 N -2.14 4.16 -0.10 1.29 0.02 -1.26 -4.68 135.00 132.29 2p80 s PRO 13 Ca 0.49 2.50 -0.03 0.00 0.02 0.00 0.00 61.00 63.98 2p80 s PRO 13 Cb -0.17 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 2p80 s PRO 13 CO 0.22 -0.50 0.04 1.03 -0.33 0.00 0.00 177.00 177.45 2p80 s ARG 14 N -1.50 3.18 -0.15 5.54 3.00 -1.26 -1.62 118.95 126.14 2p80 s ARG 14 Ca 0.55 -0.34 -0.02 0.00 0.00 0.00 0.00 55.73 55.93 2p80 s ARG 14 Cb -0.46 -2.92 0.05 0.00 0.00 0.00 0.00 34.95 31.62 2p80 s ARG 14 CO 0.56 0.68 -0.00 -1.14 0.00 0.00 0.00 175.30 175.40 2p80 s GLN 15 N -0.79 0.92 0.17 3.54 0.74 -0.75 -4.96 119.66 118.52 2p80 s GLN 15 Ca 0.12 -0.32 -0.28 0.00 0.05 0.00 0.00 55.36 54.93 2p80 s GLN 15 Cb -0.12 -1.78 -0.08 0.00 1.10 0.00 0.00 33.01 32.13 2p80 s GLN 15 CO 0.03 -0.48 0.89 0.21 -0.55 0.00 0.00 175.29 175.38 2p80 s LYS 16 N 1.81 4.72 -0.08 1.67 2.47 -1.26 -1.49 119.74 127.57 2p80 s LYS 16 Ca 0.01 1.36 0.03 0.00 -1.56 0.00 0.00 55.97 55.81 2p80 s LYS 16 Cb -0.15 -3.31 0.01 0.00 -1.46 0.00 0.00 37.83 32.92 2p80 s LYS 16 CO -0.07 0.43 -0.16 0.08 0.16 0.00 0.00 175.35 175.80 2p80 s VAL 17 N -0.78 1.43 -0.15 4.02 1.01 -0.63 -4.91 120.40 120.41 2p80 s VAL 17 Ca 0.41 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 2p80 s VAL 17 Cb -0.24 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2p80 s VAL 17 CO 0.29 0.42 0.84 -1.61 0.00 0.00 0.00 175.10 175.04 2p80 s GLU 18 N 0.65 4.33 0.34 2.72 8.01 -1.26 -4.70 118.70 128.78 2p80 s GLU 18 Ca -0.14 1.05 -0.12 0.00 0.01 0.00 0.00 54.97 55.77 2p80 s GLU 18 Cb -0.16 -3.55 -0.08 0.00 -4.31 0.00 0.00 34.13 26.03 2p80 s GLU 18 CO 0.04 -0.27 0.71 -0.51 0.01 0.00 0.00 175.26 175.24 2p80 s LEU 19 N 1.95 4.00 0.00 1.80 1.43 -1.26 -4.79 118.68 121.80 2p80 s LEU 19 Ca 0.40 1.16 0.04 0.00 -1.03 0.00 0.00 54.13 54.69 2p80 s LEU 19 Cb -0.17 -3.98 0.04 0.00 0.03 0.00 0.00 46.19 42.11 2p80 s LEU 19 CO 0.14 -0.25 0.32 1.33 0.23 0.00 0.00 176.35 178.12 2p80 n VAL 20 N -0.67 0.00 -4.28 -1.59 0.24 -1.26 -5.01 118.33 105.76 2p80 n VAL 20 Ca 0.02 -1.49 -0.34 0.00 -2.04 0.00 0.00 64.34 60.50 2p80 n VAL 20 Cb 0.53 -0.23 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 2p80 n VAL 20 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2p80 s ASP 21 N -3.26 5.15 0.82 -1.34 1.01 -1.26 -4.70 116.67 113.09 2p80 s ASP 21 Ca 0.24 -0.00 -0.17 0.00 0.71 0.00 0.00 52.55 53.33 2p80 s ASP 21 Cb -0.02 -1.76 -0.11 0.00 1.01 0.00 0.00 42.92 42.04 2p80 s ASP 21 CO 0.15 0.22 -0.26 -2.65 0.21 0.00 0.00 175.17 172.84 2p80 n PRO 22 N 3.20 0.02 -0.01 8.23 -0.02 -1.26 -2.95 135.00 142.21 2p80 n PRO 22 Ca -0.17 0.02 0.13 0.00 -2.02 0.00 0.00 63.50 61.45 2p80 n PRO 22 Cb 0.53 -1.24 0.70 0.00 -0.02 0.00 0.00 33.50 33.46 2p80 n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2p80 n PRO 23 N 1.20 1.12 -1.07 0.52 -0.04 -1.26 -5.07 135.00 130.41 2p80 n PRO 23 Ca 0.04 -0.18 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 2p80 n PRO 23 Cb 0.52 -1.40 0.16 0.00 -0.04 0.00 0.00 33.50 32.74 2p80 n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2p80 s PHE 24 N -1.98 2.09 0.02 0.54 0.08 -1.15 -0.78 117.98 116.80 2p80 s PHE 24 Ca 0.37 1.24 0.03 0.00 0.12 0.00 0.00 56.93 58.70 2p80 s PHE 24 Cb 0.18 -3.18 -0.01 0.00 -0.57 0.00 0.00 43.02 39.43 2p80 s PHE 24 CO 0.29 -2.72 -0.10 0.08 -0.10 0.00 0.00 175.22 172.67 2p80 s VAL 25 N -2.85 0.80 0.90 -0.44 1.01 -1.26 -4.66 120.40 113.90 2p80 s VAL 25 Ca 0.65 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 2p80 s VAL 25 Cb -0.19 -0.72 0.14 0.00 0.00 0.00 0.00 36.38 35.60 2p80 s VAL 25 CO 0.58 0.03 1.14 -1.38 0.00 0.00 0.00 175.10 175.47 2p80 s HIS 26 N -0.62 1.69 0.36 5.22 -3.43 -1.26 -4.91 115.29 112.34 2p80 s HIS 26 Ca 0.00 1.78 -0.28 0.00 -0.80 0.00 0.00 55.06 55.76 2p80 s HIS 26 Cb -0.06 -3.32 -0.11 0.00 -1.43 0.00 0.00 32.58 27.66 2p80 s HIS 26 CO 0.00 -2.74 1.41 0.00 -2.00 0.00 0.00 174.74 171.42 2p80 s ALA 27 N -2.67 3.54 -0.01 -1.38 0.00 -1.26 -4.99 121.76 114.99 2p80 s ALA 27 Ca 0.66 1.45 -0.29 0.00 0.00 0.00 0.00 51.96 53.78 2p80 s ALA 27 Cb -0.22 -3.56 0.10 0.00 0.00 0.00 0.00 23.12 19.44 2p80 s ALA 27 CO 0.58 -0.89 0.87 -3.38 0.00 0.00 0.00 175.76 172.95 2p80 s HIS 28 N -1.12 -0.36 -0.10 0.00 -3.43 -1.26 -5.06 115.29 103.96 2p80 s HIS 28 Ca 0.51 0.26 -0.04 0.00 -0.80 0.00 0.00 55.06 54.99 2p80 s HIS 28 Cb -0.44 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 2p80 s HIS 28 CO 0.59 -0.55 0.04 -1.54 -2.00 0.00 0.00 174.74 171.27 2p80 s SER 29 N -2.40 5.52 0.04 7.38 1.04 -1.26 -5.01 113.70 119.01 2p80 s SER 29 Ca 0.04 0.21 -0.32 0.00 0.48 0.00 0.00 55.95 56.35 2p80 s SER 29 Cb -0.01 -1.66 -0.18 0.00 0.10 0.00 0.00 66.02 64.27 2p80 s SER 29 CO -0.08 0.36 1.39 1.56 0.98 0.00 0.00 173.24 177.45 2p80 h GLN 30 N 5.29 -1.12 -6.58 4.02 4.20 -1.97 -3.40 115.11 115.54 2p80 h GLN 30 Ca -0.50 0.08 -0.52 0.00 0.06 0.00 0.00 58.65 57.76 2p80 h GLN 30 Cb 1.20 0.26 0.00 0.00 0.30 0.00 0.00 27.48 29.24 2p80 h GLN 30 CO 0.57 -0.75 0.50 0.08 -0.67 0.00 0.00 178.83 178.55 2p80 s VAL 31 N -5.41 4.00 0.28 -0.54 1.01 -1.26 -3.89 120.40 114.60 2p80 s VAL 31 Ca -0.17 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 2p80 s VAL 31 Cb 0.02 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 2p80 s VAL 31 CO 0.51 0.21 1.41 0.00 0.00 0.00 0.00 175.10 177.24 2p80 s ALA 32 N 0.29 3.59 -0.45 5.51 0.00 -0.12 -4.94 121.76 125.63 2p80 s ALA 32 Ca 0.53 1.33 -0.13 0.00 0.00 0.00 0.00 51.96 53.69 2p80 s ALA 32 Cb -0.29 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.37 2p80 s ALA 32 CO 0.32 -0.75 0.35 -1.21 0.00 0.00 0.00 175.76 174.47 2p80 s GLU 33 N -0.87 2.82 0.02 0.00 2.02 -1.26 -4.95 118.70 116.47 2p80 s GLU 33 Ca 0.56 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 54.13 2p80 s GLU 33 Cb -0.42 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 29.82 2p80 s GLU 33 CO 0.47 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 175.14 2p80 n GLY 34 N 5.08 -3.78 0.00 -1.39 0.00 -1.26 -5.01 105.19 98.83 2p80 n GLY 34 Ca -0.11 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2p80 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p80 n GLY 35 N -0.14 -0.47 3.75 -0.02 0.00 -1.26 -4.99 105.19 102.05 2p80 n GLY 35 Ca 0.00 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 2p80 n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2p80 n PRO 36 N -0.20 2.44 -3.81 1.61 -0.02 -1.26 -5.01 135.00 128.75 2p80 n PRO 36 Ca 0.00 0.86 -0.12 0.00 -2.02 0.00 0.00 63.50 62.21 2p80 n PRO 36 Cb 0.00 -2.57 -0.12 0.00 -0.02 0.00 0.00 33.50 30.79 2p80 n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2p80 s LYS 37 N -2.11 0.20 -0.48 -0.52 1.02 -1.26 -4.42 119.74 112.16 2p80 s LYS 37 Ca 0.55 0.24 -0.28 0.00 0.02 0.00 0.00 55.97 56.51 2p80 s LYS 37 Cb -0.49 0.09 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 2p80 s LYS 37 CO 0.62 -0.03 1.48 0.08 -0.92 0.00 0.00 175.35 176.58 2p80 s VAL 38 N 0.13 3.78 0.09 3.17 1.01 -0.64 -3.36 120.40 124.57 2p80 s VAL 38 Ca -0.00 0.73 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 2p80 s VAL 38 Cb -0.02 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 2p80 s VAL 38 CO -0.00 -0.91 0.79 -0.69 0.00 0.00 0.00 175.10 174.28 2p80 s VAL 39 N 6.09 4.60 -0.13 2.92 1.01 0.11 -1.81 120.40 133.18 2p80 s VAL 39 Ca 0.60 1.69 0.01 0.00 0.00 0.00 0.00 61.98 64.28 2p80 s VAL 39 Cb -0.13 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 2p80 s VAL 39 CO 0.29 0.41 -0.18 -1.61 0.00 0.00 0.00 175.10 174.01 2p80 s GLU 40 N -0.38 3.18 -0.00 2.72 2.02 -0.56 -0.60 118.70 125.09 2p80 s GLU 40 Ca 0.38 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.61 2p80 s GLU 40 Cb -0.21 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.49 2p80 s GLU 40 CO 0.24 0.09 -0.06 -0.06 0.02 0.00 0.00 175.26 175.49 2p80 s PHE 41 N 0.62 0.52 -0.08 1.61 0.40 -0.41 -1.60 117.98 119.03 2p80 s PHE 41 Ca -0.10 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 2p80 s PHE 41 Cb -0.16 -0.33 0.01 0.00 0.51 0.00 0.00 43.02 43.05 2p80 s PHE 41 CO 0.03 -0.01 -0.16 0.99 0.70 0.00 0.00 175.22 176.77 2p80 s THR 42 N -0.17 1.45 -0.05 0.64 2.01 -1.26 -1.17 115.64 117.10 2p80 s THR 42 Ca 0.02 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.36 2p80 s THR 42 Cb -0.02 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.21 2p80 s THR 42 CO -0.00 0.43 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.27 2p80 s MET 43 N 0.57 0.90 -0.09 4.92 -1.94 -0.80 -4.95 119.30 117.91 2p80 s MET 43 Ca -0.16 -0.11 -0.12 0.00 -1.71 0.00 0.00 55.69 53.59 2p80 s MET 43 Cb -0.17 -0.93 -0.05 0.00 2.01 0.00 0.00 34.83 35.69 2p80 s MET 43 CO 0.05 -0.11 0.30 0.08 -0.01 0.00 0.00 175.02 175.33 2p80 s VAL 44 N 1.06 5.25 -0.04 -6.03 1.01 -1.26 -2.38 120.40 118.01 2p80 s VAL 44 Ca -0.09 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.29 2p80 s VAL 44 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2p80 s VAL 44 CO -0.01 0.52 0.47 -0.63 0.00 0.00 0.00 175.10 175.45 2p80 s ILE 45 N -0.51 5.05 -0.21 2.22 1.01 -0.60 -0.89 121.20 127.27 2p80 s ILE 45 Ca 0.19 0.95 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 2p80 s ILE 45 Cb -0.14 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.59 2p80 s ILE 45 CO 0.08 0.46 -0.02 -1.61 0.00 0.00 0.00 174.94 173.84 2p80 s GLU 46 N -0.28 1.21 -0.53 2.79 0.41 -0.22 -4.39 118.70 117.68 2p80 s GLU 46 Ca 0.26 -0.71 -0.26 0.00 -0.41 0.00 0.00 54.97 53.85 2p80 s GLU 46 Cb -0.16 -2.33 0.03 0.00 -1.78 0.00 0.00 34.13 29.89 2p80 s GLU 46 CO 0.13 -0.60 1.02 -1.21 -0.49 0.00 0.00 175.26 174.11 2p80 s GLU 47 N 1.61 3.47 0.05 1.61 2.02 -1.26 -2.89 118.70 123.31 2p80 s GLU 47 Ca -0.03 0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.03 2p80 s GLU 47 Cb -0.18 -3.99 -0.00 0.00 0.10 0.00 0.00 34.13 30.05 2p80 s GLU 47 CO -0.07 -1.45 0.04 0.36 0.02 0.00 0.00 175.26 174.16 2p80 n LYS 48 N 7.66 0.34 -4.03 1.61 2.85 -0.30 -4.94 118.16 121.35 2p80 n LYS 48 Ca 0.06 -0.52 -0.35 0.00 -1.05 0.00 0.00 58.31 56.45 2p80 n LYS 48 Cb 0.48 0.37 -0.11 0.00 -0.65 0.00 0.00 35.03 35.12 2p80 n LYS 48 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2p80 s LYS 49 N -2.22 3.77 0.08 -1.58 1.02 -1.26 -0.15 119.74 119.40 2p80 s LYS 49 Ca 0.05 -0.44 0.07 0.00 0.02 0.00 0.00 55.97 55.66 2p80 s LYS 49 Cb 0.00 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2p80 s LYS 49 CO 0.04 0.09 -0.18 0.96 -0.92 0.00 0.00 175.35 175.34 2p80 s ILE 50 N 0.82 1.45 0.24 2.17 -4.36 -1.08 -4.95 121.20 115.50 2p80 s ILE 50 Ca 0.02 -1.37 -0.14 0.00 -0.26 0.00 0.00 60.65 58.90 2p80 s ILE 50 Cb -0.14 -1.33 -0.08 0.00 1.25 0.00 0.00 42.46 42.16 2p80 s ILE 50 CO 0.02 -0.07 0.64 -0.69 0.24 0.00 0.00 174.94 175.08 2p80 s VAL 51 N -1.12 4.77 -0.02 8.37 1.01 -1.26 -1.50 120.40 130.65 2p80 s VAL 51 Ca 0.03 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.87 2p80 s VAL 51 Cb -0.10 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2p80 s VAL 51 CO 0.03 0.00 0.03 2.30 0.00 0.00 0.00 175.10 177.46 2p80 n ILE 52 N 0.13 0.00 -4.11 2.22 -5.35 -0.63 -4.75 119.36 106.87 2p80 n ILE 52 Ca -0.00 -0.27 -0.09 0.00 -0.27 0.00 0.00 62.75 62.12 2p80 n ILE 52 Cb 0.52 0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 39.15 2p80 n ILE 52 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2p80 n ASP 53 N -1.25 -0.37 0.11 7.28 5.68 -1.26 0.25 116.55 126.99 2p80 n ASP 53 Ca 0.00 -2.04 -0.02 0.00 -0.50 0.00 0.00 54.79 52.23 2p80 n ASP 53 Cb 0.02 0.84 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 2p80 n ASP 53 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2p80 h ASP 54 N 0.98 0.00 0.53 -1.12 5.19 -1.96 -3.18 116.42 116.86 2p80 h ASP 54 Ca -0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2p80 h ASP 54 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2p80 h ASP 54 CO 0.17 0.73 0.00 0.00 -3.12 0.00 0.00 179.24 177.01 2p80 n ALA 55 N -2.31 1.49 -0.13 3.45 0.00 -1.26 -4.86 120.51 116.90 2p80 n ALA 55 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2p80 n ALA 55 Cb 0.80 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2p80 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p80 n GLY 56 N -0.36 0.93 3.72 0.00 0.00 -1.20 -5.04 105.19 103.23 2p80 n GLY 56 Ca 0.01 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2p80 n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2p80 n THR 57 N -2.13 1.27 -5.21 2.61 -1.04 -1.26 -4.84 114.28 103.69 2p80 n THR 57 Ca 0.00 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.05 61.39 2p80 n THR 57 Cb 0.00 -1.73 -0.16 0.00 -1.82 0.00 0.00 70.33 66.62 2p80 n THR 57 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2p80 s GLU 58 N -0.89 2.05 -0.08 -2.82 2.02 -1.26 -1.60 118.70 116.13 2p80 s GLU 58 Ca 0.63 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.77 2p80 s GLU 58 Cb -0.56 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 31.76 2p80 s GLU 58 CO 0.53 0.49 -0.09 0.08 0.02 0.00 0.00 175.26 176.28 2p80 s VAL 59 N -0.48 0.99 -0.84 2.63 1.01 -0.56 -4.89 120.40 118.26 2p80 s VAL 59 Ca 0.07 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 2p80 s VAL 59 Cb -0.10 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 2p80 s VAL 59 CO -0.00 0.34 2.03 -1.00 0.00 0.00 0.00 175.10 176.46 2p80 s HIS 60 N 1.02 1.66 0.34 5.22 3.76 -1.26 -2.64 115.29 123.39 2p80 s HIS 60 Ca -0.08 0.90 -0.20 0.00 -0.15 0.00 0.00 55.06 55.53 2p80 s HIS 60 Cb -0.15 -3.93 -0.10 0.00 1.11 0.00 0.00 32.58 29.51 2p80 s HIS 60 CO -0.00 -1.79 0.84 0.00 -0.85 0.00 0.00 174.74 172.94 2p80 s ALA 61 N 10.83 3.23 -0.30 -1.40 0.00 0.79 -4.84 121.76 130.06 2p80 s ALA 61 Ca 0.74 0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 2p80 s ALA 61 Cb -0.09 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.08 2p80 s ALA 61 CO 0.04 0.24 0.05 -1.64 0.00 0.00 0.00 175.76 174.44 2p80 s MET 62 N -2.68 2.82 -0.06 0.00 -1.94 -1.09 -1.15 119.30 115.20 2p80 s MET 62 Ca 0.54 -1.03 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 2p80 s MET 62 Cb -0.13 -3.30 0.02 0.00 2.01 0.00 0.00 34.83 33.43 2p80 s MET 62 CO 0.18 -0.52 -0.08 0.00 -0.01 0.00 0.00 175.02 174.58 2p80 s ALA 63 N 1.41 1.00 -0.09 3.03 0.00 -1.14 -2.66 121.76 123.31 2p80 s ALA 63 Ca -0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 2p80 s ALA 63 Cb -0.18 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 2p80 s ALA 63 CO 0.01 0.02 1.11 -0.06 0.00 0.00 0.00 175.76 176.83 2p80 s PHE 64 N 0.86 3.34 -0.25 0.00 0.08 -1.26 -1.05 117.98 119.69 2p80 s PHE 64 Ca -0.12 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.33 2p80 s PHE 64 Cb -0.15 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.99 2p80 s PHE 64 CO 0.01 -0.79 0.00 -1.71 -0.10 0.00 0.00 175.22 172.63 2p80 n ASN 65 N 5.17 -3.81 -1.05 1.36 5.15 -0.07 -3.23 115.26 118.78 2p80 n ASN 65 Ca 0.10 0.06 -0.13 0.00 -0.60 0.00 0.00 54.58 54.01 2p80 n ASN 65 Cb 0.47 -1.52 -0.05 0.00 -0.53 0.00 0.00 39.78 38.15 2p80 n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2p80 n GLY 66 N -2.01 1.25 3.02 8.20 0.00 -1.10 -4.98 105.19 109.58 2p80 n GLY 66 Ca -0.02 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 2p80 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2p80 s THR 67 N -2.50 -0.03 -0.26 2.61 -4.23 -1.20 -5.02 115.64 105.01 2p80 s THR 67 Ca 0.00 0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.54 2p80 s THR 67 Cb 0.00 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 2p80 s THR 67 CO 0.00 0.05 0.10 -0.69 -0.54 0.00 0.00 174.62 173.53 2p80 s VAL 68 N 0.88 4.51 0.41 2.29 1.01 -1.26 -0.87 120.40 127.37 2p80 s VAL 68 Ca -0.06 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 2p80 s VAL 68 Cb -0.08 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 2p80 s VAL 68 CO -0.05 0.30 0.74 -2.16 0.00 0.00 0.00 175.10 173.93 2p80 s PRO 69 N 1.64 3.69 0.78 2.72 0.05 -1.26 -2.38 135.00 140.25 2p80 s PRO 69 Ca 0.06 0.32 -0.16 0.00 0.05 0.00 0.00 61.00 61.28 2p80 s PRO 69 Cb -0.15 -2.43 -0.11 0.00 0.05 0.00 0.00 34.50 31.86 2p80 s PRO 69 CO 0.05 -0.04 -0.87 0.41 0.05 0.00 0.00 177.00 176.60 2p80 n GLY 70 N -1.49 -2.11 3.84 0.56 0.00 -0.04 -4.68 105.19 101.26 2p80 n GLY 70 Ca 0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2p80 n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2p80 s PRO 71 N -2.00 4.05 -0.31 1.61 0.04 -1.26 -4.67 135.00 132.46 2p80 s PRO 71 Ca 0.20 0.97 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 2p80 s PRO 71 Cb 0.06 -2.19 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 2p80 s PRO 71 CO 0.37 -0.14 0.69 -1.17 0.04 0.00 0.00 177.00 176.79 2p80 s LEU 72 N -3.65 4.13 0.20 -3.56 2.96 -1.26 -4.36 118.68 113.13 2p80 s LEU 72 Ca 0.59 0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 54.86 2p80 s LEU 72 Cb -0.10 -2.92 -0.08 0.00 0.50 0.00 0.00 46.19 43.60 2p80 s LEU 72 CO 0.23 -0.53 0.62 -0.04 -1.32 0.00 0.00 176.35 175.31 2p80 s MET 73 N 2.75 4.04 -0.07 1.98 -1.94 -1.22 -4.53 119.30 120.30 2p80 s MET 73 Ca 0.28 0.59 -0.01 0.00 -1.71 0.00 0.00 55.69 54.84 2p80 s MET 73 Cb -0.15 -2.83 0.03 0.00 2.01 0.00 0.00 34.83 33.89 2p80 s MET 73 CO 0.12 0.40 -0.00 0.08 -0.01 0.00 0.00 175.02 175.61 2p80 s VAL 74 N -1.58 0.40 0.37 -6.03 1.01 -1.26 -0.69 120.40 112.63 2p80 s VAL 74 Ca 0.42 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.55 2p80 s VAL 74 Cb -0.14 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2p80 s VAL 74 CO 0.20 0.26 0.20 0.68 0.00 0.00 0.00 175.10 176.44 2p80 s VAL 75 N 1.92 0.28 0.38 2.92 -7.23 -1.00 -4.99 120.40 112.68 2p80 s VAL 75 Ca 0.04 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 2p80 s VAL 75 Cb -0.12 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2p80 s VAL 75 CO -0.05 0.00 0.39 -1.00 -0.31 0.00 0.00 175.10 174.13 2p80 s HIS 76 N -3.33 2.84 0.19 2.82 3.76 -1.26 -0.94 115.29 119.37 2p80 s HIS 76 Ca 0.32 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.54 2p80 s HIS 76 Cb 0.02 -2.06 -0.09 0.00 1.11 0.00 0.00 32.58 31.56 2p80 s HIS 76 CO 0.21 -0.05 1.38 -1.14 -0.85 0.00 0.00 174.74 174.29 2p80 s GLN 77 N -4.12 4.33 0.00 1.40 0.74 -0.96 -2.38 119.66 118.65 2p80 s GLN 77 Ca 0.46 2.15 0.00 0.00 0.05 0.00 0.00 55.36 58.02 2p80 s GLN 77 Cb -0.06 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.87 2p80 s GLN 77 CO 0.29 -0.37 0.00 -0.25 -0.55 0.00 0.00 175.29 174.40 2p80 n ASP 78 N 2.99 0.00 -4.76 6.67 8.00 0.26 -4.72 116.55 124.99 2p80 n ASP 78 Ca 0.08 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.22 2p80 n ASP 78 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.53 2p80 n ASP 78 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2p80 s ASP 79 N 0.18 5.64 -0.15 -2.24 1.01 -1.00 -4.51 116.67 115.59 2p80 s ASP 79 Ca 0.00 2.37 -0.11 0.00 0.71 0.00 0.00 52.55 55.52 2p80 s ASP 79 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2p80 s ASP 79 CO 0.00 -1.29 0.20 -0.31 0.21 0.00 0.00 175.17 173.98 2p80 s TYR 80 N -1.57 3.49 -0.27 4.23 1.51 -1.21 -2.00 117.35 121.53 2p80 s TYR 80 Ca 0.71 0.50 -0.13 0.00 -1.01 0.00 0.00 57.07 57.14 2p80 s TYR 80 Cb -0.30 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.34 2p80 s TYR 80 CO 0.34 0.41 0.29 -1.17 -1.11 0.00 0.00 175.55 174.31 2p80 s LEU 81 N -0.06 4.04 -0.27 -1.29 0.20 -0.38 -0.71 118.68 120.21 2p80 s LEU 81 Ca 0.13 0.16 -0.02 0.00 0.69 0.00 0.00 54.13 55.10 2p80 s LEU 81 Cb -0.12 -2.28 0.03 0.00 -0.43 0.00 0.00 46.19 43.39 2p80 s LEU 81 CO 0.02 -0.11 -0.03 -0.70 -0.29 0.00 0.00 176.35 175.24 2p80 s GLU 82 N 1.86 2.71 -0.19 1.98 2.12 0.23 -1.91 118.70 125.50 2p80 s GLU 82 Ca 0.11 -1.07 -0.00 0.00 0.36 0.00 0.00 54.97 54.37 2p80 s GLU 82 Cb -0.16 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.18 2p80 s GLU 82 CO 0.10 -0.48 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.01 2p80 s LEU 83 N 1.31 2.32 -0.41 2.70 2.96 -0.47 -1.29 118.68 125.79 2p80 s LEU 83 Ca -0.02 -0.59 -0.22 0.00 -0.22 0.00 0.00 54.13 53.08 2p80 s LEU 83 Cb -0.18 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 44.99 2p80 s LEU 83 CO -0.03 -0.00 0.74 -0.89 -1.32 0.00 0.00 176.35 174.84 2p80 s THR 84 N 1.33 4.73 -0.04 3.68 2.01 -0.31 -2.55 115.64 124.49 2p80 s THR 84 Ca 0.05 0.50 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 2p80 s THR 84 Cb -0.13 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2p80 s THR 84 CO -0.11 -0.57 0.11 -0.22 -0.69 0.00 0.00 174.62 173.14 2p80 s LEU 85 N 3.08 4.09 -0.04 4.42 2.96 -0.78 -1.90 118.68 130.51 2p80 s LEU 85 Ca 0.28 0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 54.46 2p80 s LEU 85 Cb -0.13 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.34 2p80 s LEU 85 CO 0.20 0.32 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.91 2p80 s ILE 86 N -1.15 0.29 -0.49 6.68 1.01 -1.00 -1.83 121.20 124.70 2p80 s ILE 86 Ca 0.21 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 2p80 s ILE 86 Cb -0.12 -0.40 0.13 0.00 0.01 0.00 0.00 42.46 42.08 2p80 s ILE 86 CO 0.11 0.20 0.33 0.21 0.00 0.00 0.00 174.94 175.79 2p80 s ASN 87 N 1.33 5.53 0.58 3.58 2.47 -0.96 -1.56 114.94 125.91 2p80 s ASN 87 Ca -0.05 -2.14 -0.18 0.00 0.42 0.00 0.00 52.86 50.90 2p80 s ASN 87 Cb -0.13 -1.94 -0.07 0.00 -1.45 0.00 0.00 41.25 37.66 2p80 s ASN 87 CO -0.02 -0.59 0.73 -2.65 -3.72 0.00 0.00 177.10 170.85 2p80 n PRO 88 N 4.53 0.69 0.27 0.43 -0.02 -1.26 -0.28 135.00 139.36 2p80 n PRO 88 Ca -0.02 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 2p80 n PRO 88 Cb 0.41 -1.91 0.77 0.00 -0.02 0.00 0.00 33.50 32.74 2p80 n PRO 88 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2p80 h GLU 89 N 0.37 0.00 0.00 -0.52 4.11 -1.92 -2.20 114.58 114.42 2p80 h GLU 89 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.95 2p80 h GLU 89 Cb 1.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 2p80 h GLU 89 CO 0.49 0.09 -0.06 1.79 0.07 0.00 0.00 179.01 181.39 2p80 h THR 90 N 0.00 0.80 -4.04 -1.06 1.35 -1.96 -3.43 112.91 104.57 2p80 h THR 90 Ca -0.00 -0.22 -0.47 0.00 -0.55 0.00 0.00 66.41 65.17 2p80 h THR 90 Cb 0.25 1.13 0.15 0.00 -1.73 0.00 0.00 68.15 67.94 2p80 h THR 90 CO 0.01 0.06 0.24 0.20 -0.25 0.00 0.00 175.52 175.78 2p80 s ASN 91 N -6.60 3.30 0.00 5.36 0.01 -0.83 -5.00 114.94 111.18 2p80 s ASN 91 Ca -0.04 1.38 0.00 0.00 -0.71 0.00 0.00 52.86 53.48 2p80 s ASN 91 Cb 0.15 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.76 2p80 s ASN 91 CO 0.62 -2.73 0.60 0.35 -1.51 0.00 0.00 177.10 174.43 2p80 n THR 92 N -3.94 0.33 -4.36 1.60 -2.24 -1.26 -4.79 114.28 99.63 2p80 n THR 92 Ca 0.06 -0.56 -0.19 0.00 -2.27 0.00 0.00 64.05 61.10 2p80 n THR 92 Cb 0.56 0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 69.61 2p80 n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2p80 s LEU 93 N -0.33 2.04 0.30 3.22 1.43 -1.26 -4.97 118.68 119.11 2p80 s LEU 93 Ca 0.00 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 2p80 s LEU 93 Cb 0.00 -0.47 -0.10 0.00 0.03 0.00 0.00 46.19 45.65 2p80 s LEU 93 CO 0.00 0.09 1.13 -0.32 0.23 0.00 0.00 176.35 177.48 2p80 s MET 94 N -0.36 4.55 0.00 1.70 -2.45 -1.26 -4.55 119.30 116.92 2p80 s MET 94 Ca 0.03 1.86 0.00 0.00 -1.25 0.00 0.00 55.69 56.33 2p80 s MET 94 Cb -0.04 -3.12 0.00 0.00 1.25 0.00 0.00 34.83 32.92 2p80 s MET 94 CO -0.00 0.11 0.00 0.72 1.05 0.00 0.00 175.02 176.90 2p80 n HIS 95 N 1.02 0.00 0.00 4.11 -0.00 -1.03 -4.86 115.22 114.46 2p80 n HIS 95 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2p80 n HIS 95 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 2p80 n HIS 95 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2p80 n ASN 96 N 0.00 0.00 -4.11 0.41 6.94 -1.26 -3.20 115.26 114.04 2p80 n ASN 96 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.28 2p80 n ASN 96 Cb 0.00 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.25 2p80 n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2p80 s ILE 97 N -2.00 1.53 -0.29 1.53 2.07 -1.26 -3.51 121.20 119.26 2p80 s ILE 97 Ca 0.00 -0.71 0.03 0.00 -1.41 0.00 0.00 60.65 58.56 2p80 s ILE 97 Cb 0.00 -1.35 0.07 0.00 0.13 0.00 0.00 42.46 41.31 2p80 s ILE 97 CO 0.00 0.44 -0.05 -0.62 -1.91 0.00 0.00 174.94 172.80 2p80 s ASP 98 N 0.51 4.58 -0.34 4.50 2.15 -0.95 -2.17 116.67 124.96 2p80 s ASP 98 Ca -0.16 -1.59 -0.20 0.00 0.43 0.00 0.00 52.55 51.02 2p80 s ASP 98 Cb -0.17 -1.59 -0.00 0.00 -0.30 0.00 0.00 42.92 40.86 2p80 s ASP 98 CO 0.06 -0.25 0.63 -0.36 -0.17 0.00 0.00 175.17 175.07 2p80 s PHE 99 N 1.06 3.18 0.57 -5.34 0.08 0.17 -2.64 117.98 115.06 2p80 s PHE 99 Ca -0.03 0.43 0.29 0.00 0.12 0.00 0.00 56.93 57.74 2p80 s PHE 99 Cb -0.20 -3.07 1.48 0.00 -0.57 0.00 0.00 43.02 40.66 2p80 s PHE 99 CO -0.05 -0.56 1.93 0.45 -0.10 0.00 0.00 175.22 176.88 2p80 h HIS 100 N 8.35 0.00 -0.06 0.36 3.86 -1.85 -0.05 115.15 125.76 2p80 h HIS 100 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2p80 h HIS 100 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2p80 h HIS 100 CO 0.75 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.54 2p80 n ALA 101 N -2.47 2.52 -2.44 2.45 0.00 -1.26 -4.84 120.51 114.47 2p80 n ALA 101 Ca 0.10 -0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 2p80 n ALA 101 Cb 0.68 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 2p80 n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2p80 s ALA 102 N -1.92 3.65 -0.18 0.00 0.00 -0.03 -4.53 121.76 118.74 2p80 s ALA 102 Ca 0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.16 2p80 s ALA 102 Cb 0.06 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.54 2p80 s ALA 102 CO 0.10 -0.08 0.00 0.99 0.00 0.00 0.00 175.76 176.78 2p80 s THR 103 N -2.48 0.73 0.00 0.00 2.01 -1.26 -4.75 115.64 109.88 2p80 s THR 103 Ca 0.41 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2p80 s THR 103 Cb -0.01 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.40 2p80 s THR 103 CO 0.24 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 2p80 n GLY 104 N 4.99 3.78 1.97 4.40 0.00 -1.26 -4.98 105.19 114.08 2p80 n GLY 104 Ca -0.10 -1.41 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 2p80 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 n ALA 105 N -0.01 -0.67 -4.16 4.61 0.00 -1.26 -3.12 120.51 115.90 2p80 n ALA 105 Ca 0.00 0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 2p80 n ALA 105 Cb 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 2p80 n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2p80 n LEU 106 N -2.14 -1.87 -0.64 0.00 4.77 -1.26 0.33 117.00 116.19 2p80 n LEU 106 Ca -0.08 -0.98 -0.07 0.00 -0.03 0.00 0.00 56.01 54.86 2p80 n LEU 106 Cb 0.55 -2.17 -0.02 0.00 -2.33 0.00 0.00 43.42 39.46 2p80 n LEU 106 CO 0.22 0.33 -0.08 0.61 -1.33 0.00 0.00 177.39 177.15 2p80 n GLY 107 N -1.49 0.50 1.09 -0.72 0.00 -1.23 -2.93 105.19 100.42 2p80 n GLY 107 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2p80 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p80 n GLY 108 N -1.59 0.87 0.18 -0.02 0.00 0.15 0.46 105.19 105.24 2p80 n GLY 108 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2p80 n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2p80 h GLY 109 N 0.00 0.00 2.00 -0.02 0.00 -0.83 -2.92 103.07 101.30 2p80 h GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2p80 h GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2p80 n GLY 110 N 0.34 -1.65 0.08 4.60 0.00 -0.97 -3.59 105.19 103.99 2p80 n GLY 110 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.10 2p80 n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2p80 n LEU 111 N -2.22 2.36 -0.46 0.99 4.77 -1.14 -4.68 117.00 116.63 2p80 n LEU 111 Ca 0.05 -3.08 0.02 0.00 -0.03 0.00 0.00 56.01 52.98 2p80 n LEU 111 Cb 0.40 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2p80 n LEU 111 CO 0.29 0.71 0.31 0.35 -1.33 0.00 0.00 177.39 177.72 2p80 n THR 112 N -1.42 0.41 -2.17 -5.08 -2.24 -1.12 -4.92 114.28 97.74 2p80 n THR 112 Ca 0.16 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 2p80 n THR 112 Cb 0.64 0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 2p80 n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2p80 s GLU 113 N -0.62 3.52 -0.09 -0.78 2.02 -1.26 -4.16 118.70 117.33 2p80 s GLU 113 Ca 0.08 1.27 0.02 0.00 0.02 0.00 0.00 54.97 56.36 2p80 s GLU 113 Cb 0.08 -4.09 0.01 0.00 0.10 0.00 0.00 34.13 30.23 2p80 s GLU 113 CO -0.00 -1.63 -0.13 0.96 0.02 0.00 0.00 175.26 174.48 2p80 s ILE 114 N 5.96 1.30 0.39 -1.63 -4.36 -1.19 -4.97 121.20 116.69 2p80 s ILE 114 Ca 0.70 -0.55 -0.03 0.00 -0.26 0.00 0.00 60.65 60.52 2p80 s ILE 114 Cb -0.19 -1.19 -0.04 0.00 1.25 0.00 0.00 42.46 42.29 2p80 s ILE 114 CO 0.32 0.40 0.64 0.20 0.24 0.00 0.00 174.94 176.74 2p80 s ASN 115 N 0.85 6.31 -0.07 4.36 -0.87 -1.26 -2.46 114.94 121.80 2p80 s ASN 115 Ca -0.10 0.67 -0.32 0.00 -1.57 0.00 0.00 52.86 51.54 2p80 s ASN 115 Cb -0.15 -2.13 -0.15 0.00 -0.02 0.00 0.00 41.25 38.79 2p80 s ASN 115 CO 0.01 -0.38 0.90 -2.65 -2.57 0.00 0.00 177.10 172.41 2p80 n PRO 116 N -1.81 0.00 -0.64 -0.60 -0.02 -1.26 -1.25 135.00 129.42 2p80 n PRO 116 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2p80 n PRO 116 Cb 0.55 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 2p80 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p80 n GLY 117 N 1.49 0.62 2.97 -1.23 0.00 0.62 -4.72 105.19 104.95 2p80 n GLY 117 Ca 0.17 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 2p80 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p80 s GLU 118 N -1.06 0.37 0.03 1.61 2.02 -0.38 -4.93 118.70 116.36 2p80 s GLU 118 Ca 0.00 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.66 2p80 s GLU 118 Cb 0.00 -0.26 -0.02 0.00 0.10 0.00 0.00 34.13 33.95 2p80 s GLU 118 CO 0.00 0.06 -0.05 -1.59 0.02 0.00 0.00 175.26 173.70 2p80 s LYS 119 N -0.61 0.44 0.25 1.61 -2.85 -1.26 -2.27 119.74 115.04 2p80 s LYS 119 Ca -0.03 -0.72 0.04 0.00 -1.00 0.00 0.00 55.97 54.26 2p80 s LYS 119 Cb -0.04 -0.07 -0.02 0.00 -2.06 0.00 0.00 37.83 35.63 2p80 s LYS 119 CO -0.00 -0.01 0.15 -2.37 0.10 0.00 0.00 175.35 173.22 2p80 n THR 120 N 1.43 0.00 -3.60 3.79 5.66 -0.76 -4.98 114.28 115.82 2p80 n THR 120 Ca -0.23 -1.63 -0.19 0.00 -3.05 0.00 0.00 64.05 58.94 2p80 n THR 120 Cb 0.55 0.72 -0.15 0.00 -1.55 0.00 0.00 70.33 69.90 2p80 n THR 120 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2p80 s ILE 121 N -2.78 -0.23 -0.10 1.09 1.01 -1.26 -1.86 121.20 117.07 2p80 s ILE 121 Ca 0.21 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.99 2p80 s ILE 121 Cb 0.01 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 2p80 s ILE 121 CO 0.15 -0.05 -0.15 -0.22 0.00 0.00 0.00 174.94 174.67 2p80 s LEU 122 N 2.26 2.64 -0.11 2.97 2.96 -1.06 -4.93 118.68 123.42 2p80 s LEU 122 Ca 0.04 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 2p80 s LEU 122 Cb -0.14 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.99 2p80 s LEU 122 CO -0.08 0.23 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.36 2p80 s ARG 123 N -0.04 2.84 0.05 1.98 3.52 -1.26 -1.37 118.95 124.68 2p80 s ARG 123 Ca -0.04 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.80 2p80 s ARG 123 Cb -0.14 -2.22 -0.03 0.00 -1.56 0.00 0.00 34.95 31.01 2p80 s ARG 123 CO 0.04 0.09 -0.11 -0.59 -0.81 0.00 0.00 175.30 173.93 2p80 s PHE 124 N 0.56 0.91 -0.10 5.12 -0.12 -0.80 -4.96 117.98 118.59 2p80 s PHE 124 Ca -0.14 -0.46 -0.24 0.00 -0.05 0.00 0.00 56.93 56.03 2p80 s PHE 124 Cb -0.17 -0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 41.66 2p80 s PHE 124 CO 0.05 -0.02 0.75 0.21 -0.05 0.00 0.00 175.22 176.16 2p80 s LYS 125 N -1.57 4.40 -0.90 1.99 2.20 -1.26 -1.25 119.74 123.34 2p80 s LYS 125 Ca -0.06 0.95 -0.23 0.00 -0.36 0.00 0.00 55.97 56.27 2p80 s LYS 125 Cb -0.10 -3.49 0.06 0.00 -1.51 0.00 0.00 37.83 32.80 2p80 s LYS 125 CO 0.01 -0.07 1.29 0.00 -0.36 0.00 0.00 175.35 176.23 2p80 s ALA 126 N 1.24 2.90 -1.28 3.13 0.00 -0.84 -4.79 121.76 122.11 2p80 s ALA 126 Ca 0.38 -2.13 0.24 0.00 0.00 0.00 0.00 51.96 50.45 2p80 s ALA 126 Cb -0.18 -4.30 0.37 0.00 0.00 0.00 0.00 23.12 19.02 2p80 s ALA 126 CO 0.17 -3.32 1.32 0.25 0.00 0.00 0.00 175.76 174.17 2p80 n THR 127 N 6.39 0.00 -4.49 0.00 -2.24 -1.26 0.91 114.28 113.59 2p80 n THR 127 Ca 0.21 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.73 2p80 n THR 127 Cb 0.50 0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 69.11 2p80 n THR 127 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2p80 s LYS 128 N -2.83 0.95 0.01 -0.78 1.02 -1.26 -4.83 119.74 112.02 2p80 s LYS 128 Ca 0.14 -0.40 -0.25 0.00 0.02 0.00 0.00 55.97 55.49 2p80 s LYS 128 Cb 0.18 -0.91 -0.05 0.00 -0.52 0.00 0.00 37.83 36.53 2p80 s LYS 128 CO 0.68 0.22 0.76 -1.25 -0.92 0.00 0.00 175.35 174.84 2p80 s PRO 129 N -0.19 4.48 0.00 -1.68 0.04 -1.26 -4.79 135.00 131.60 2p80 s PRO 129 Ca 0.03 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2p80 s PRO 129 Cb -0.05 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2p80 s PRO 129 CO -0.00 0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.65 2p80 n GLY 130 N 2.61 4.18 3.78 0.56 0.00 -0.13 -1.85 105.19 114.34 2p80 n GLY 130 Ca -0.02 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 2p80 n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2p80 s VAL 131 N -2.00 3.92 0.05 1.61 -7.23 -0.53 -2.99 120.40 113.23 2p80 s VAL 131 Ca 0.00 1.63 -0.04 0.00 -1.81 0.00 0.00 61.98 61.75 2p80 s VAL 131 Cb 0.00 -3.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.00 2p80 s VAL 131 CO 0.00 0.16 0.07 -0.36 -0.31 0.00 0.00 175.10 174.66 2p80 s PHE 132 N -1.53 0.27 -0.19 2.82 0.40 -0.43 -4.48 117.98 114.85 2p80 s PHE 132 Ca 0.51 -0.65 -0.08 0.00 -0.60 0.00 0.00 56.93 56.11 2p80 s PHE 132 Cb -0.22 -0.19 -0.04 0.00 0.51 0.00 0.00 43.02 43.07 2p80 s PHE 132 CO 0.28 -0.38 0.08 0.08 0.70 0.00 0.00 175.22 175.99 2p80 s VAL 133 N -3.00 4.96 0.18 -0.44 1.01 -1.26 -1.17 120.40 120.67 2p80 s VAL 133 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2p80 s VAL 133 Cb 0.01 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2p80 s VAL 133 CO -0.06 0.45 0.27 -0.72 0.00 0.00 0.00 175.10 175.03 2p80 s TYR 134 N 0.43 3.38 -0.25 5.22 -0.85 -1.12 -3.30 117.35 120.85 2p80 s TYR 134 Ca 0.05 0.04 -0.27 0.00 -0.52 0.00 0.00 57.07 56.37 2p80 s TYR 134 Cb -0.12 -1.59 0.14 0.00 0.38 0.00 0.00 41.96 40.77 2p80 s TYR 134 CO -0.00 0.50 1.11 -3.38 -1.52 0.00 0.00 175.55 172.25 2p80 s HIS 135 N -1.84 -0.36 0.45 -3.49 -3.43 -1.08 -1.49 115.29 104.05 2p80 s HIS 135 Ca 0.34 0.81 -0.23 0.00 -0.80 0.00 0.00 55.06 55.17 2p80 s HIS 135 Cb -0.10 0.41 -0.08 0.00 -1.43 0.00 0.00 32.58 31.38 2p80 s HIS 135 CO 0.27 -0.22 1.11 0.00 -2.00 0.00 0.00 174.74 173.91 2p80 n ALA 137 N -0.43 -0.35 -2.03 0.00 0.00 -1.23 -4.42 120.51 112.06 2p80 n ALA 137 Ca 0.07 -1.87 -0.42 0.00 0.00 0.00 0.00 53.44 51.22 2p80 n ALA 137 Cb 0.49 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2p80 n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2p80 s PRO 138 N 0.32 4.22 -0.46 0.00 0.02 -1.26 -4.81 135.00 133.03 2p80 s PRO 138 Ca 0.32 2.19 -0.45 0.00 0.02 0.00 0.00 61.00 63.08 2p80 s PRO 138 Cb 0.14 -3.66 -0.19 0.00 0.02 0.00 0.00 34.50 30.81 2p80 s PRO 138 CO -0.17 -0.71 1.67 -2.30 -0.33 0.00 0.00 177.00 175.17 2p80 n PRO 139 N 5.80 0.23 0.00 5.54 -0.02 -1.26 -0.65 135.00 144.65 2p80 n PRO 139 Ca 0.15 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2p80 n PRO 139 Cb 0.42 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2p80 n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p80 n GLY 140 N 4.32 2.64 2.79 -1.23 0.00 -1.26 -4.85 105.19 107.60 2p80 n GLY 140 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.32 2p80 n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2p80 n MET 141 N -2.00 1.57 0.05 1.61 2.81 0.17 -4.97 117.12 116.37 2p80 n MET 141 Ca 0.00 -3.29 -0.02 0.00 -1.81 0.00 0.00 57.70 52.57 2p80 n MET 141 Cb 0.00 -1.39 -0.01 0.00 -0.71 0.00 0.00 33.22 31.11 2p80 n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2p80 h VAL 142 N 4.88 0.00 -1.16 2.03 2.07 -1.85 -3.09 116.25 119.13 2p80 h VAL 142 Ca -0.15 -0.04 0.33 0.00 0.82 0.00 0.00 66.70 67.66 2p80 h VAL 142 Cb 1.25 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.92 2p80 h VAL 142 CO 0.23 0.00 0.76 1.55 0.02 0.00 0.00 177.57 180.12 2p80 h PRO 143 N -0.18 0.24 -0.01 1.57 0.13 -1.93 -1.09 132.00 130.74 2p80 h PRO 143 Ca -0.01 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2p80 h PRO 143 Cb 0.11 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 2p80 h PRO 143 CO 0.02 0.16 -0.01 2.35 -0.23 0.00 0.00 178.00 180.30 2p80 h TRP 144 N 0.25 0.03 -0.71 1.56 7.01 -1.96 -1.93 115.95 120.20 2p80 h TRP 144 Ca 0.67 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.63 2p80 h TRP 144 Cb 1.95 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 28.97 2p80 h TRP 144 CO -0.00 0.42 0.33 0.45 -2.79 0.00 0.00 178.44 176.85 2p80 h HIS 145 N -0.37 1.02 -0.12 2.65 3.86 -1.13 -1.35 115.15 119.71 2p80 h HIS 145 Ca 0.00 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.09 2p80 h HIS 145 Cb 0.41 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.57 2p80 h HIS 145 CO 0.07 0.75 -0.25 0.28 0.86 0.00 0.00 177.93 179.64 2p80 h VAL 146 N 1.01 1.38 -0.20 2.45 2.07 -1.40 -2.10 116.25 119.47 2p80 h VAL 146 Ca 0.25 -1.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 2p80 h VAL 146 Cb 0.12 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2p80 h VAL 146 CO -0.03 0.45 -0.10 -0.37 0.02 0.00 0.00 177.57 177.53 2p80 h VAL 147 N -0.06 1.19 0.00 2.57 -1.51 -1.26 -1.01 116.25 116.16 2p80 h VAL 147 Ca 0.00 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 2p80 h VAL 147 Cb 0.84 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2p80 h VAL 147 CO 0.05 0.25 0.00 -1.20 -1.23 0.00 0.00 177.57 175.45 2p80 n SER 148 N -4.27 0.00 0.00 4.19 7.64 -0.52 -4.70 113.62 115.96 2p80 n SER 148 Ca -0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2p80 n SER 148 Cb 0.27 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2p80 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2p80 n GLY 149 N -0.59 1.53 2.94 0.23 0.00 -0.39 -2.68 105.19 106.23 2p80 n GLY 149 Ca 0.04 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2p80 n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2p80 n MET 150 N -1.44 4.59 -3.58 1.61 0.00 -0.80 -4.43 117.12 113.07 2p80 n MET 150 Ca 0.00 -4.53 -0.11 0.00 0.00 0.00 0.00 57.70 53.06 2p80 n MET 150 Cb 0.01 -2.52 -0.05 0.00 0.00 0.00 0.00 33.22 30.65 2p80 n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2p80 s ASN 151 N -1.64 -0.41 0.00 6.12 2.20 -1.26 -1.95 114.94 118.00 2p80 s ASN 151 Ca 0.33 0.50 0.00 0.00 -0.94 0.00 0.00 52.86 52.74 2p80 s ASN 151 Cb 0.07 0.41 0.00 0.00 -2.00 0.00 0.00 41.25 39.73 2p80 s ASN 151 CO 0.07 -0.34 0.00 0.61 -2.94 0.00 0.00 177.10 174.51 2p80 n GLY 152 N 0.96 4.60 3.62 0.45 0.00 -0.55 -2.37 105.19 111.89 2p80 n GLY 152 Ca -0.11 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 2p80 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 s ALA 153 N -1.59 -2.03 0.15 4.61 0.00 -1.26 -2.79 121.76 118.84 2p80 s ALA 153 Ca 0.00 1.75 0.10 0.00 0.00 0.00 0.00 51.96 53.80 2p80 s ALA 153 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2p80 s ALA 153 CO 0.00 -0.23 -0.20 0.96 0.00 0.00 0.00 175.76 176.29 2p80 s ILE 154 N -0.46 2.68 -0.23 0.00 -4.36 -0.32 -3.38 121.20 115.14 2p80 s ILE 154 Ca 0.03 -1.69 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 2p80 s ILE 154 Cb -0.03 -2.25 0.04 0.00 1.25 0.00 0.00 42.46 41.47 2p80 s ILE 154 CO -0.06 0.02 -0.13 -0.32 0.24 0.00 0.00 174.94 174.69 2p80 s MET 155 N -2.34 2.63 -0.51 0.37 -2.45 0.14 -1.32 119.30 115.81 2p80 s MET 155 Ca 0.19 -1.09 -0.16 0.00 -1.25 0.00 0.00 55.69 53.38 2p80 s MET 155 Cb -0.10 -2.80 0.09 0.00 1.25 0.00 0.00 34.83 33.28 2p80 s MET 155 CO 0.10 -0.41 0.49 0.08 1.05 0.00 0.00 175.02 176.33 2p80 s VAL 156 N 1.22 5.14 0.11 10.11 1.01 -1.16 -2.36 120.40 134.46 2p80 s VAL 156 Ca -0.02 -1.14 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 2p80 s VAL 156 Cb -0.17 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 2p80 s VAL 156 CO -0.08 -0.76 0.59 -0.76 0.00 0.00 0.00 175.10 174.09 2p80 s LEU 157 N 1.86 4.47 0.25 3.92 1.43 -0.11 -0.95 118.68 129.54 2p80 s LEU 157 Ca 0.06 1.25 -0.29 0.00 -1.03 0.00 0.00 54.13 54.12 2p80 s LEU 157 Cb -0.26 -3.08 -0.15 0.00 0.03 0.00 0.00 46.19 42.74 2p80 s LEU 157 CO 0.06 0.20 1.03 -2.65 0.23 0.00 0.00 176.35 175.22 2p80 n PRO 158 N 1.38 1.23 -0.26 1.29 -0.02 -1.26 -2.28 135.00 135.08 2p80 n PRO 158 Ca -0.08 0.43 0.26 0.00 -2.02 0.00 0.00 63.50 62.09 2p80 n PRO 158 Cb 0.51 -1.82 0.62 0.00 -0.02 0.00 0.00 33.50 32.79 2p80 n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p80 h ARG 159 N 2.36 0.20 -0.64 -0.52 3.08 -1.89 0.40 114.38 117.37 2p80 h ARG 159 Ca -0.40 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2p80 h ARG 159 Cb 1.35 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2p80 h ARG 159 CO 0.63 0.13 0.00 0.39 -1.07 0.00 0.00 179.97 180.05 2p80 n GLU 160 N -4.41 3.06 0.00 0.04 -0.58 -1.26 -0.95 120.64 116.54 2p80 n GLU 160 Ca 0.22 -1.96 0.00 0.00 -0.42 0.00 0.00 57.16 55.00 2p80 n GLU 160 Cb 0.93 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 2p80 n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p80 n GLY 161 N 0.72 -1.92 3.85 0.62 0.00 0.14 -4.76 105.19 103.84 2p80 n GLY 161 Ca 0.18 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 2p80 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p80 s LEU 162 N 0.00 4.25 0.12 0.99 1.43 -1.26 -4.17 118.68 120.04 2p80 s LEU 162 Ca 0.00 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 2p80 s LEU 162 Cb 0.00 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2p80 s LEU 162 CO 0.00 0.37 -0.09 -1.00 0.23 0.00 0.00 176.35 175.86 2p80 s HIS 163 N -1.08 1.09 0.00 0.29 3.76 -1.26 0.12 115.29 118.21 2p80 s HIS 163 Ca 0.18 -0.79 0.00 0.00 -0.15 0.00 0.00 55.06 54.30 2p80 s HIS 163 Cb -0.12 -0.58 0.00 0.00 1.11 0.00 0.00 32.58 32.99 2p80 s HIS 163 CO 0.07 -0.02 0.00 -0.40 -0.85 0.00 0.00 174.74 173.55 2p80 n ASP 164 N 0.02 -0.40 -0.01 1.40 5.68 0.21 -4.83 116.55 118.61 2p80 n ASP 164 Ca -0.12 -0.23 0.15 0.00 -0.50 0.00 0.00 54.79 54.09 2p80 n ASP 164 Cb 0.60 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 41.40 2p80 n ASP 164 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2p80 n GLY 165 N 2.67 -1.14 0.22 6.12 0.00 -1.26 -3.57 105.19 108.24 2p80 n GLY 165 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.88 2p80 n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p80 n LYS 166 N -1.14 1.73 0.00 1.61 4.76 -1.26 -4.99 118.16 118.87 2p80 n LYS 166 Ca 0.18 -0.65 0.00 0.00 -2.87 0.00 0.00 58.31 54.97 2p80 n LYS 166 Cb 0.20 -1.06 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2p80 n LYS 166 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2p80 n GLY 167 N 0.74 1.08 3.77 0.72 0.00 -1.23 -5.09 105.19 105.17 2p80 n GLY 167 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2p80 n GLY 167 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2p80 s LYS 168 N -0.40 3.84 0.08 1.61 2.20 -1.26 -4.73 119.74 121.07 2p80 s LYS 168 Ca 0.00 2.01 -0.30 0.00 -0.36 0.00 0.00 55.97 57.33 2p80 s LYS 168 Cb 0.00 -2.60 -0.05 0.00 -1.51 0.00 0.00 37.83 33.67 2p80 s LYS 168 CO 0.00 -0.55 0.95 0.00 -0.36 0.00 0.00 175.35 175.39 2p80 s ALA 169 N -1.36 3.23 -0.24 3.13 0.00 -1.26 -0.62 121.76 124.64 2p80 s ALA 169 Ca 0.60 0.54 -0.00 0.00 0.00 0.00 0.00 51.96 53.10 2p80 s ALA 169 Cb -0.35 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.54 2p80 s ALA 169 CO 0.43 -0.07 -0.09 -0.51 0.00 0.00 0.00 175.76 175.52 2p80 s LEU 170 N 0.25 3.07 -0.15 0.00 1.43 0.12 -4.86 118.68 118.55 2p80 s LEU 170 Ca 0.47 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2p80 s LEU 170 Cb -0.22 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2p80 s LEU 170 CO 0.29 -0.12 -0.18 -0.89 0.23 0.00 0.00 176.35 175.68 2p80 s THR 171 N 1.28 2.42 -0.03 5.49 2.01 -1.26 -4.11 115.64 121.43 2p80 s THR 171 Ca -0.01 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 2p80 s THR 171 Cb -0.17 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 2p80 s THR 171 CO -0.06 0.53 0.31 -0.72 -0.69 0.00 0.00 174.62 173.99 2p80 s TYR 172 N 0.78 3.66 0.15 4.92 -0.85 -1.26 -4.90 117.35 119.85 2p80 s TYR 172 Ca -0.07 0.79 -0.01 0.00 -0.52 0.00 0.00 57.07 57.26 2p80 s TYR 172 Cb -0.16 -2.14 -0.04 0.00 0.38 0.00 0.00 41.96 40.01 2p80 s TYR 172 CO -0.00 0.66 1.35 -0.44 -1.52 0.00 0.00 175.55 175.60 2p80 h ASP 173 N 4.64 0.41 -5.20 -0.18 3.32 -1.45 -3.47 116.42 114.48 2p80 h ASP 173 Ca -0.52 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.10 2p80 h ASP 173 Cb 1.22 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 2p80 h ASP 173 CO 0.61 1.12 -0.46 -1.59 -1.72 0.00 0.00 179.24 177.20 2p80 s LYS 174 N -3.27 0.82 -0.08 3.56 -2.85 -1.10 -5.04 119.74 111.78 2p80 s LYS 174 Ca -0.04 -1.08 -0.05 0.00 -1.00 0.00 0.00 55.97 53.80 2p80 s LYS 174 Cb 0.10 0.31 0.04 0.00 -2.06 0.00 0.00 37.83 36.21 2p80 s LYS 174 CO 0.85 -0.24 0.20 -1.50 0.10 0.00 0.00 175.35 174.75 2p80 s ILE 175 N -3.90 -0.03 0.09 3.79 2.07 -1.26 -1.72 121.20 120.24 2p80 s ILE 175 Ca 0.08 0.13 0.09 0.00 -1.41 0.00 0.00 60.65 59.54 2p80 s ILE 175 Cb 0.06 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.31 2p80 s ILE 175 CO -0.09 0.05 -0.24 -0.31 -1.91 0.00 0.00 174.94 172.44 2p80 s TYR 176 N 0.96 2.08 -0.26 3.50 2.02 -0.82 -4.41 117.35 120.41 2p80 s TYR 176 Ca -0.07 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 2p80 s TYR 176 Cb -0.09 -1.16 0.05 0.00 -0.40 0.00 0.00 41.96 40.36 2p80 s TYR 176 CO -0.06 0.23 -0.09 -0.47 -1.57 0.00 0.00 175.55 173.59 2p80 s TYR 177 N -1.01 3.21 -0.40 2.71 5.04 0.04 -1.35 117.35 125.59 2p80 s TYR 177 Ca 0.10 -2.10 -0.10 0.00 -2.44 0.00 0.00 57.07 52.53 2p80 s TYR 177 Cb -0.10 -1.98 0.06 0.00 0.35 0.00 0.00 41.96 40.29 2p80 s TYR 177 CO 0.04 -0.84 0.24 0.08 -1.34 0.00 0.00 175.55 173.73 2p80 s VAL 178 N 1.17 4.38 -0.14 3.14 1.01 0.19 -4.36 120.40 125.79 2p80 s VAL 178 Ca -0.06 -1.20 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 2p80 s VAL 178 Cb -0.19 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2p80 s VAL 178 CO -0.05 -0.41 0.53 -0.83 0.00 0.00 0.00 175.10 174.35 2p80 s GLY 179 N 1.94 2.33 0.00 4.51 0.00 -1.26 -2.90 107.32 111.94 2p80 s GLY 179 Ca 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 2p80 s GLY 179 CO 0.04 0.95 0.22 1.85 0.00 0.00 0.00 173.10 176.16 2p80 s GLU 180 N 0.99 3.50 -0.06 2.90 2.12 -0.55 -2.22 118.70 125.38 2p80 s GLU 180 Ca 0.28 -0.20 -0.02 0.00 0.36 0.00 0.00 54.97 55.38 2p80 s GLU 180 Cb -0.16 -3.08 0.04 0.00 0.26 0.00 0.00 34.13 31.19 2p80 s GLU 180 CO 0.11 0.66 0.10 -1.14 -0.54 0.00 0.00 175.26 174.46 2p80 s GLN 181 N -1.87 -0.02 -0.31 4.30 2.00 -0.15 -4.61 119.66 119.00 2p80 s GLN 181 Ca 0.28 0.44 -0.16 0.00 -2.00 0.00 0.00 55.36 53.91 2p80 s GLN 181 Cb -0.13 -0.37 -0.02 0.00 0.80 0.00 0.00 33.01 33.29 2p80 s GLN 181 CO 0.17 -0.30 0.43 0.16 -0.50 0.00 0.00 175.29 175.26 2p80 s ASP 182 N 2.06 6.27 0.56 6.67 -4.77 -1.26 -2.16 116.67 124.05 2p80 s ASP 182 Ca 0.02 0.08 0.07 0.00 -3.30 0.00 0.00 52.55 49.42 2p80 s ASP 182 Cb -0.12 -2.23 0.07 0.00 -1.09 0.00 0.00 42.92 39.55 2p80 s ASP 182 CO -0.04 -0.32 0.78 -0.36 0.70 0.00 0.00 175.17 175.92 2p80 s PHE 183 N 2.18 1.86 -0.39 2.11 0.08 -0.14 -4.83 117.98 118.86 2p80 s PHE 183 Ca 0.16 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.72 2p80 s PHE 183 Cb -0.16 -2.43 0.16 0.00 -0.57 0.00 0.00 43.02 40.02 2p80 s PHE 183 CO 0.11 -1.07 0.38 0.71 -0.10 0.00 0.00 175.22 175.26 2p80 s TYR 184 N -2.69 -0.14 -0.18 0.36 1.51 -1.26 -2.44 117.35 112.52 2p80 s TYR 184 Ca 0.61 -1.06 -0.13 0.00 -1.01 0.00 0.00 57.07 55.48 2p80 s TYR 184 Cb -0.07 -0.46 -0.05 0.00 -0.11 0.00 0.00 41.96 41.28 2p80 s TYR 184 CO 0.39 -0.96 0.26 0.08 -1.11 0.00 0.00 175.55 174.21 2p80 s VAL 185 N 1.19 5.32 0.38 0.71 1.01 -1.26 -4.80 120.40 122.95 2p80 s VAL 185 Ca 0.20 0.47 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 2p80 s VAL 185 Cb -0.13 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2p80 s VAL 185 CO -0.04 0.38 1.34 -2.84 0.00 0.00 0.00 175.10 173.94 2p80 s PRO 186 N 0.58 4.10 0.17 2.72 0.02 -1.26 -4.89 135.00 136.43 2p80 s PRO 186 Ca 0.15 2.26 0.11 0.00 0.02 0.00 0.00 61.00 63.53 2p80 s PRO 186 Cb -0.13 -2.89 -0.04 0.00 0.02 0.00 0.00 34.50 31.46 2p80 s PRO 186 CO 0.03 -0.42 -0.25 1.03 -0.33 0.00 0.00 177.00 177.06 2p80 s ARG 187 N -2.09 1.46 0.00 5.54 0.52 -1.26 -0.76 118.95 122.36 2p80 s ARG 187 Ca 0.54 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 2p80 s ARG 187 Cb -0.40 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.23 2p80 s ARG 187 CO 0.53 0.41 0.00 -0.40 0.02 0.00 0.00 175.30 175.86 2p80 n ASP 188 N 0.53 0.00 0.01 0.23 5.68 0.06 -4.86 116.55 118.20 2p80 n ASP 188 Ca -0.15 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.04 2p80 n ASP 188 Cb 0.55 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.56 2p80 n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2p80 h GLU 189 N 0.00 0.54 0.00 0.11 4.39 -2.01 -2.90 114.58 114.72 2p80 h GLU 189 Ca 0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2p80 h GLU 189 Cb 0.00 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2p80 h GLU 189 CO 0.00 0.99 0.00 0.09 -1.16 0.00 0.00 179.01 178.93 2p80 n ASN 190 N -3.92 0.00 -0.03 1.42 3.02 -1.26 -4.83 115.26 109.66 2p80 n ASN 190 Ca -0.04 -1.07 -0.00 0.00 -0.03 0.00 0.00 54.58 53.43 2p80 n ASN 190 Cb 0.65 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.82 2p80 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p80 n GLY 191 N 0.31 0.44 3.88 7.41 0.00 -1.09 -5.02 105.19 111.12 2p80 n GLY 191 Ca 0.08 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2p80 n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p80 s LYS 192 N -0.55 3.69 0.54 1.61 -0.14 -1.26 -4.79 119.74 118.84 2p80 s LYS 192 Ca 0.00 0.05 -0.21 0.00 -1.36 0.00 0.00 55.97 54.44 2p80 s LYS 192 Cb 0.00 -2.86 -0.05 0.00 -1.68 0.00 0.00 37.83 33.24 2p80 s LYS 192 CO 0.00 0.47 1.29 0.71 -0.76 0.00 0.00 175.35 177.06 2p80 s TYR 193 N -1.61 2.43 0.01 3.18 2.02 -1.26 -0.76 117.35 121.36 2p80 s TYR 193 Ca 0.40 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.53 2p80 s TYR 193 Cb -0.12 -3.65 -0.04 0.00 -0.40 0.00 0.00 41.96 37.74 2p80 s TYR 193 CO 0.22 -2.48 0.08 0.15 -1.57 0.00 0.00 175.55 171.95 2p80 s LYS 194 N -2.94 3.05 0.15 -0.62 1.02 0.06 -4.74 119.74 115.72 2p80 s LYS 194 Ca 0.71 -0.51 0.08 0.00 0.02 0.00 0.00 55.97 56.27 2p80 s LYS 194 Cb -0.36 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 2p80 s LYS 194 CO 0.42 0.64 -0.07 0.15 -0.92 0.00 0.00 175.35 175.56 2p80 s LYS 195 N -1.84 2.18 0.38 1.68 1.02 -1.26 -4.82 119.74 117.08 2p80 s LYS 195 Ca 0.24 -1.12 0.04 0.00 0.02 0.00 0.00 55.97 55.14 2p80 s LYS 195 Cb -0.12 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2p80 s LYS 195 CO 0.15 0.47 0.10 0.71 -0.92 0.00 0.00 175.35 175.86 2p80 s TYR 196 N -1.50 1.84 -0.21 3.18 1.51 -1.26 -5.08 117.35 115.84 2p80 s TYR 196 Ca 0.24 -1.16 -0.20 0.00 -1.01 0.00 0.00 57.07 54.94 2p80 s TYR 196 Cb -0.10 -1.22 -0.18 0.00 -0.11 0.00 0.00 41.96 40.36 2p80 s TYR 196 CO 0.15 -0.17 0.16 0.39 -1.11 0.00 0.00 175.55 174.97 2p80 n GLU 197 N -0.84 0.56 -4.43 -0.62 1.02 -1.26 -4.97 120.64 110.09 2p80 n GLU 197 Ca -0.05 0.56 -0.25 0.00 -0.02 0.00 0.00 57.16 57.40 2p80 n GLU 197 Cb 0.66 -1.73 -0.11 0.00 -0.02 0.00 0.00 31.44 30.23 2p80 n GLU 197 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2p80 s ALA 198 N -2.40 2.57 0.42 0.62 0.00 -1.26 -5.03 121.76 116.68 2p80 s ALA 198 Ca -0.28 -1.73 0.15 0.00 0.00 0.00 0.00 51.96 50.09 2p80 s ALA 198 Cb 0.06 -0.28 1.03 0.00 0.00 0.00 0.00 23.12 23.92 2p80 s ALA 198 CO 0.56 0.34 1.91 -1.35 0.00 0.00 0.00 175.76 177.22 2p80 h PRO 199 N 2.78 0.43 -0.05 0.00 0.11 -1.94 -2.09 132.00 131.24 2p80 h PRO 199 Ca -0.43 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 2p80 h PRO 199 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2p80 h PRO 199 CO 0.54 0.29 -0.45 0.78 -0.21 0.00 0.00 178.00 178.95 2p80 h GLY 200 N 0.45 0.14 2.00 -0.55 0.00 -2.00 -2.94 103.07 100.16 2p80 h GLY 200 Ca 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2p80 h GLY 200 CO -0.13 0.12 0.00 -0.55 0.00 0.00 0.00 176.54 175.98 2p80 h ASP 201 N 0.10 0.00 -0.44 0.19 3.32 -1.79 -2.46 116.42 115.34 2p80 h ASP 201 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2p80 h ASP 201 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2p80 h ASP 201 CO 0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 2p80 n ALA 202 N -1.93 2.96 -0.04 3.45 0.00 -1.11 -4.64 120.51 119.19 2p80 n ALA 202 Ca 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 53.44 51.52 2p80 n ALA 202 Cb 0.20 -0.80 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 2p80 n ALA 202 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2p80 h TYR 203 N 2.85 -0.02 -0.36 0.00 3.20 -1.51 -2.85 116.97 118.29 2p80 h TYR 203 Ca 0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 2p80 h TYR 203 Cb 1.36 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 2p80 h TYR 203 CO 0.60 0.73 -0.09 0.93 -1.64 0.00 0.00 178.16 178.70 2p80 h GLU 204 N -0.81 0.69 -0.19 1.82 4.39 -1.82 -1.71 114.58 116.95 2p80 h GLU 204 Ca -0.00 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.36 2p80 h GLU 204 Cb 0.76 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2p80 h GLU 204 CO 0.00 0.85 -0.23 -0.44 -1.16 0.00 0.00 179.01 178.03 2p80 h ASP 205 N 0.48 0.33 -0.01 1.42 3.32 -1.85 -2.76 116.42 117.34 2p80 h ASP 205 Ca 0.09 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2p80 h ASP 205 Cb 0.59 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2p80 h ASP 205 CO 0.04 0.57 -0.03 0.74 -1.72 0.00 0.00 179.24 178.84 2p80 h THR 206 N 0.31 1.46 -0.70 0.35 2.02 -1.35 -3.04 112.91 111.96 2p80 h THR 206 Ca 0.05 -1.41 0.15 0.00 0.77 0.00 0.00 66.41 65.98 2p80 h THR 206 Cb 0.57 2.39 -0.12 0.00 -1.74 0.00 0.00 68.15 69.25 2p80 h THR 206 CO 0.04 0.37 0.04 0.58 0.37 0.00 0.00 175.52 176.92 2p80 h VAL 207 N -0.54 0.43 -0.51 3.16 2.07 -1.22 0.25 116.25 119.90 2p80 h VAL 207 Ca -0.00 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.56 2p80 h VAL 207 Cb 0.62 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 30.59 2p80 h VAL 207 CO 0.01 0.03 0.06 0.50 0.02 0.00 0.00 177.57 178.18 2p80 h LYS 208 N 0.14 0.18 -0.53 1.57 3.64 -1.46 -0.31 116.57 119.81 2p80 h LYS 208 Ca 0.38 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.66 2p80 h LYS 208 Cb 0.65 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2p80 h LYS 208 CO -0.58 0.12 -0.00 0.28 -2.27 0.00 0.00 179.45 176.99 2p80 h VAL 209 N 0.19 1.26 -0.34 2.00 2.07 -0.55 -2.84 116.25 118.04 2p80 h VAL 209 Ca 0.26 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2p80 h VAL 209 Cb 0.37 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2p80 h VAL 209 CO -0.37 0.39 0.19 0.24 0.02 0.00 0.00 177.57 178.05 2p80 h MET 210 N 0.81 0.46 -0.37 1.57 2.86 0.46 -2.17 114.93 118.55 2p80 h MET 210 Ca 0.15 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 2p80 h MET 210 Cb 0.54 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2p80 h MET 210 CO 0.03 0.33 -0.05 0.00 1.06 0.00 0.00 176.91 178.28 2p80 h ARG 211 N 0.47 0.61 0.00 1.72 3.08 -0.85 -2.04 114.38 117.36 2p80 h ARG 211 Ca 0.12 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2p80 h ARG 211 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2p80 h ARG 211 CO -0.02 0.66 0.00 0.25 -1.07 0.00 0.00 179.97 179.79 2p80 n THR 212 N -4.23 1.25 -2.96 2.04 -2.24 -0.82 -4.80 114.28 102.53 2p80 n THR 212 Ca 0.01 0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.91 2p80 n THR 212 Cb 0.29 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2p80 n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2p80 n LEU 213 N -1.36 -1.68 -3.62 3.22 4.77 -0.77 -4.91 117.00 112.65 2p80 n LEU 213 Ca 0.02 -0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.54 2p80 n LEU 213 Cb 0.04 -2.34 -0.15 0.00 -2.33 0.00 0.00 43.42 38.63 2p80 n LEU 213 CO 0.03 0.07 -0.33 -0.89 -1.33 0.00 0.00 177.39 174.94 2p80 s THR 214 N -2.89 0.32 0.15 -5.08 2.01 -1.26 -5.12 115.64 103.77 2p80 s THR 214 Ca 0.24 -1.01 -0.31 0.00 0.31 0.00 0.00 61.69 60.92 2p80 s THR 214 Cb -0.12 -1.25 -0.08 0.00 0.01 0.00 0.00 72.50 71.05 2p80 s THR 214 CO 0.29 -0.70 1.37 -2.16 -0.69 0.00 0.00 174.62 172.73 2p80 s PRO 215 N 1.90 4.34 0.43 4.92 0.04 -1.26 -4.92 135.00 140.45 2p80 s PRO 215 Ca 0.09 2.09 0.23 0.00 0.04 0.00 0.00 61.00 63.45 2p80 s PRO 215 Cb -0.16 -3.22 0.85 0.00 0.04 0.00 0.00 34.50 32.00 2p80 s PRO 215 CO -0.32 -0.38 1.79 1.79 0.04 0.00 0.00 177.00 179.93 2p80 h THR 216 N 4.04 0.56 -2.79 1.26 1.35 -1.83 -3.44 112.91 112.06 2p80 h THR 216 Ca -0.43 -1.19 -0.14 0.00 -0.55 0.00 0.00 66.41 64.09 2p80 h THR 216 Cb 1.21 1.82 -0.28 0.00 -1.73 0.00 0.00 68.15 69.17 2p80 h THR 216 CO 0.83 0.23 -0.36 -1.00 -0.25 0.00 0.00 175.52 174.97 2p80 s HIS 217 N -3.59 -0.50 -0.20 4.73 3.76 -1.26 -4.84 115.29 113.40 2p80 s HIS 217 Ca 0.01 1.10 0.01 0.00 -0.15 0.00 0.00 55.06 56.03 2p80 s HIS 217 Cb 0.10 0.18 0.04 0.00 1.11 0.00 0.00 32.58 34.01 2p80 s HIS 217 CO 0.64 -0.30 -0.11 0.08 -0.85 0.00 0.00 174.74 174.20 2p80 s VAL 218 N 1.29 1.70 0.23 -0.90 1.01 -1.25 -0.97 120.40 121.50 2p80 s VAL 218 Ca -0.09 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.94 2p80 s VAL 218 Cb -0.09 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2p80 s VAL 218 CO -0.11 0.22 0.21 1.33 0.00 0.00 0.00 175.10 176.75 2p80 n VAL 219 N 4.67 0.00 -5.18 2.92 0.24 -0.92 -1.09 118.33 118.98 2p80 n VAL 219 Ca -0.15 -1.66 -0.29 0.00 -2.04 0.00 0.00 64.34 60.19 2p80 n VAL 219 Cb 0.47 0.84 -0.16 0.00 -1.47 0.00 0.00 33.84 33.52 2p80 n VAL 219 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2p80 s PHE 220 N -2.98 2.14 0.00 6.34 0.08 -1.25 -0.98 117.98 121.33 2p80 s PHE 220 Ca 0.27 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.89 2p80 s PHE 220 Cb 0.01 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 2p80 s PHE 220 CO 0.19 -0.06 0.00 -1.71 -0.10 0.00 0.00 175.22 173.54 2p80 n ASN 221 N 2.57 -2.30 0.00 1.36 4.05 -0.94 -3.57 115.26 116.43 2p80 n ASN 221 Ca -0.16 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.87 2p80 n ASN 221 Cb 0.52 -0.84 0.00 0.00 1.23 0.00 0.00 39.78 40.69 2p80 n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2p80 n GLY 222 N -2.17 0.72 3.60 8.20 0.00 -1.00 -4.55 105.19 109.99 2p80 n GLY 222 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2p80 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 s ALA 223 N -2.29 -1.97 0.19 4.61 0.00 -1.23 -4.57 121.76 116.49 2p80 s ALA 223 Ca 0.00 1.70 -0.32 0.00 0.00 0.00 0.00 51.96 53.35 2p80 s ALA 223 Cb 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 23.12 21.95 2p80 s ALA 223 CO 0.00 -0.27 1.75 0.28 0.00 0.00 0.00 175.76 177.52 2p80 n VAL 224 N 1.26 0.08 -1.54 0.00 0.31 0.14 -1.26 118.33 117.32 2p80 n VAL 224 Ca -0.10 -0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.17 2p80 n VAL 224 Cb 0.57 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.49 2p80 n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2p80 n GLY 225 N 4.01 0.49 0.11 2.92 0.00 -1.26 -4.76 105.19 106.70 2p80 n GLY 225 Ca 0.17 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 2p80 n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 h ALA 226 N 0.09 0.77 -1.16 4.61 0.00 -1.38 -3.31 119.26 118.88 2p80 h ALA 226 Ca -0.09 -0.67 -0.66 0.00 0.00 0.00 0.00 54.91 53.48 2p80 h ALA 226 Cb 0.62 -0.12 -0.35 0.00 0.00 0.00 0.00 17.79 17.95 2p80 h ALA 226 CO 0.13 0.92 0.13 1.28 0.00 0.00 0.00 179.25 181.71 2p80 n LEU 227 N -3.66 6.18 -4.30 0.00 4.77 -1.26 -4.76 117.00 113.96 2p80 n LEU 227 Ca -0.01 -4.89 -0.17 0.00 -0.03 0.00 0.00 56.01 50.91 2p80 n LEU 227 Cb 0.72 -0.74 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2p80 n LEU 227 CO 0.44 1.94 -0.21 0.42 -1.33 0.00 0.00 177.39 178.65 2p80 s THR 228 N -5.15 0.29 0.00 -5.08 -4.23 -1.25 -1.71 115.64 98.51 2p80 s THR 228 Ca 0.52 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2p80 s THR 228 Cb 0.43 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.74 2p80 s THR 228 CO -0.22 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 2p80 n GLY 229 N -0.50 2.12 0.31 3.99 0.00 -1.26 -1.79 105.19 108.06 2p80 n GLY 229 Ca 0.01 -0.49 0.20 0.00 0.00 0.00 0.00 46.02 45.75 2p80 n GLY 229 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2p80 h ASP 230 N 6.02 0.00 -0.02 1.61 3.04 -1.97 -1.90 116.42 123.20 2p80 h ASP 230 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2p80 h ASP 230 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2p80 h ASP 230 CO 0.00 0.00 0.00 0.29 -2.04 0.00 0.00 179.24 177.49 2p80 n LYS 231 N -3.07 1.81 -1.83 4.15 4.76 -0.74 -4.93 118.16 118.31 2p80 n LYS 231 Ca -0.01 -1.18 -0.42 0.00 -2.87 0.00 0.00 58.31 53.83 2p80 n LYS 231 Cb 0.19 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 2p80 n LYS 231 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2p80 s ALA 232 N -1.99 3.77 1.13 7.82 0.00 -0.72 -4.14 121.76 127.63 2p80 s ALA 232 Ca 0.36 1.50 -0.17 0.00 0.00 0.00 0.00 51.96 53.65 2p80 s ALA 232 Cb 0.21 -3.64 0.18 0.00 0.00 0.00 0.00 23.12 19.87 2p80 s ALA 232 CO 0.33 -0.90 0.29 -1.33 0.00 0.00 0.00 175.76 174.15 2p80 n MET 233 N 2.88 -2.41 -3.87 0.00 2.81 -0.86 -4.67 117.12 111.00 2p80 n MET 233 Ca 0.10 -0.70 -0.11 0.00 -1.81 0.00 0.00 57.70 55.18 2p80 n MET 233 Cb 0.38 -1.65 -0.11 0.00 -0.71 0.00 0.00 33.22 31.13 2p80 n MET 233 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2p80 s THR 234 N -2.15 0.07 -0.01 2.03 -4.23 -1.26 -2.02 115.64 108.07 2p80 s THR 234 Ca 0.49 -0.55 -0.28 0.00 -1.18 0.00 0.00 61.69 60.18 2p80 s THR 234 Cb -0.10 -0.35 0.09 0.00 1.34 0.00 0.00 72.50 73.48 2p80 s THR 234 CO 0.51 -0.30 0.80 0.00 -0.54 0.00 0.00 174.62 175.09 2p80 s ALA 235 N -1.03 -1.78 0.17 3.99 0.00 -0.54 -4.93 121.76 117.64 2p80 s ALA 235 Ca -0.11 1.06 0.08 0.00 0.00 0.00 0.00 51.96 52.99 2p80 s ALA 235 Cb -0.06 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2p80 s ALA 235 CO 0.01 -0.57 -0.17 0.00 0.00 0.00 0.00 175.76 175.02 2p80 s ALA 236 N -2.51 1.97 0.14 0.00 0.00 -1.26 -1.91 121.76 118.19 2p80 s ALA 236 Ca -0.00 -1.50 -0.35 0.00 0.00 0.00 0.00 51.96 50.10 2p80 s ALA 236 Cb -0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 23.12 22.80 2p80 s ALA 236 CO -0.04 0.20 1.38 0.28 0.00 0.00 0.00 175.76 177.57 2p80 n VAL 237 N 0.19 0.25 -0.46 0.00 0.31 -0.48 -0.47 118.33 117.67 2p80 n VAL 237 Ca -0.12 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2p80 n VAL 237 Cb 0.58 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 2p80 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2p80 n GLY 238 N 2.64 0.76 3.81 2.92 0.00 0.58 -4.98 105.19 110.92 2p80 n GLY 238 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2p80 n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2p80 s GLU 239 N -0.52 4.04 -0.24 1.61 2.12 0.38 -4.87 118.70 121.23 2p80 s GLU 239 Ca 0.00 0.43 -0.10 0.00 0.36 0.00 0.00 54.97 55.66 2p80 s GLU 239 Cb 0.00 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 2p80 s GLU 239 CO 0.00 0.57 0.14 0.15 -0.54 0.00 0.00 175.26 175.58 2p80 s LYS 240 N -0.69 4.01 -0.05 4.30 1.02 -1.26 -1.86 119.74 125.21 2p80 s LYS 240 Ca 0.24 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 55.95 2p80 s LYS 240 Cb -0.16 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.66 2p80 s LYS 240 CO 0.13 0.04 -0.10 0.08 -0.92 0.00 0.00 175.35 174.58 2p80 s VAL 241 N 1.10 0.89 -0.26 3.17 1.01 -0.93 -0.98 120.40 124.40 2p80 s VAL 241 Ca 0.07 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 2p80 s VAL 241 Cb -0.14 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2p80 s VAL 241 CO 0.05 0.29 0.16 -0.22 0.00 0.00 0.00 175.10 175.38 2p80 s LEU 242 N 0.54 3.95 -0.37 3.92 2.96 -0.70 -2.19 118.68 126.79 2p80 s LEU 242 Ca -0.10 -0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 2p80 s LEU 242 Cb -0.13 -2.08 0.07 0.00 0.50 0.00 0.00 46.19 44.55 2p80 s LEU 242 CO 0.02 -0.01 0.15 -0.63 -1.32 0.00 0.00 176.35 174.56 2p80 s ILE 243 N 1.49 3.53 0.13 6.68 1.01 0.06 -1.94 121.20 132.16 2p80 s ILE 243 Ca 0.07 -1.55 -0.25 0.00 0.00 0.00 0.00 60.65 58.91 2p80 s ILE 243 Cb -0.15 -3.18 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 2p80 s ILE 243 CO 0.08 -0.40 0.78 -0.69 0.00 0.00 0.00 174.94 174.70 2p80 s VAL 244 N 1.29 4.49 -0.01 2.92 1.01 -0.46 -2.58 120.40 127.06 2p80 s VAL 244 Ca 0.02 1.68 0.01 0.00 0.00 0.00 0.00 61.98 63.69 2p80 s VAL 244 Cb -0.21 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2p80 s VAL 244 CO -0.01 0.47 -0.03 -2.28 0.00 0.00 0.00 175.10 173.25 2p80 s HIS 245 N -0.78 0.37 0.06 5.22 5.04 -1.10 -0.64 115.29 123.46 2p80 s HIS 245 Ca 0.37 -0.06 0.03 0.00 -1.54 0.00 0.00 55.06 53.85 2p80 s HIS 245 Cb -0.22 -0.29 -0.03 0.00 0.04 0.00 0.00 32.58 32.09 2p80 s HIS 245 CO 0.25 -0.04 -0.10 -1.54 -2.34 0.00 0.00 174.74 170.98 2p80 s SER 246 N 0.14 1.16 -0.26 9.88 1.04 -1.14 -1.04 113.70 123.48 2p80 s SER 246 Ca -0.01 -0.60 -0.03 0.00 0.48 0.00 0.00 55.95 55.79 2p80 s SER 246 Cb -0.04 0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.19 2p80 s SER 246 CO -0.00 -0.17 0.20 -1.58 0.98 0.00 0.00 173.24 172.67 2p80 s GLN 247 N -1.77 0.22 -0.77 4.02 -0.44 -1.16 -1.48 119.66 118.28 2p80 s GLN 247 Ca -0.06 -0.16 -0.02 0.00 -2.50 0.00 0.00 55.36 52.62 2p80 s GLN 247 Cb -0.09 -1.07 0.38 0.00 -1.64 0.00 0.00 33.01 30.59 2p80 s GLN 247 CO 0.01 -0.89 2.00 0.00 0.50 0.00 0.00 175.29 176.90 2p80 n ALA 248 N 5.29 6.41 0.00 1.58 0.00 -1.26 -0.03 120.51 132.51 2p80 n ALA 248 Ca -0.05 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.47 2p80 n ALA 248 Cb 0.46 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2p80 n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2p80 n ASN 249 N -0.66 0.00 0.00 0.00 5.15 -1.26 -4.66 115.26 113.83 2p80 n ASN 249 Ca 0.56 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 2p80 n ASN 249 Cb 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 2p80 n ASN 249 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2p80 n ARG 250 N 0.00 0.00 -2.84 1.20 3.00 -1.26 -4.89 116.66 111.87 2p80 n ARG 250 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2p80 n ARG 250 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 2p80 n ARG 250 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2p80 s ASP 251 N 0.00 7.36 0.47 6.15 1.01 -1.26 -2.79 116.67 127.61 2p80 s ASP 251 Ca 0.00 1.63 0.02 0.00 0.71 0.00 0.00 52.55 54.91 2p80 s ASP 251 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2p80 s ASP 251 CO 0.00 -0.04 0.04 0.28 0.21 0.00 0.00 175.17 175.67 2p80 s THR 252 N 0.02 1.03 -0.41 -1.27 -1.32 -0.66 -4.85 115.64 108.18 2p80 s THR 252 Ca 0.43 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.95 2p80 s THR 252 Cb -0.22 -2.27 0.17 0.00 -1.51 0.00 0.00 72.50 68.67 2p80 s THR 252 CO 0.27 0.00 0.44 0.00 -2.21 0.00 0.00 174.62 173.11 2p80 s ARG 253 N -3.82 0.82 0.58 7.08 1.70 -1.26 -2.19 118.95 121.86 2p80 s ARG 253 Ca 0.13 -1.31 -0.19 0.00 -0.47 0.00 0.00 55.73 53.89 2p80 s ARG 253 Cb 0.02 -0.81 -0.05 0.00 -0.57 0.00 0.00 34.95 33.55 2p80 s ARG 253 CO 0.08 -1.29 1.03 -2.30 -1.08 0.00 0.00 175.30 171.74 2p80 n PRO 254 N 3.52 1.03 -3.57 3.89 -0.02 -1.26 -1.12 135.00 137.47 2p80 n PRO 254 Ca 0.19 0.39 -0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2p80 n PRO 254 Cb 0.48 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 2p80 n PRO 254 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2p80 s HIS 255 N -1.46 -1.16 -0.47 6.00 2.46 -0.94 -2.01 115.29 117.70 2p80 s HIS 255 Ca 0.75 1.99 -0.23 0.00 0.47 0.00 0.00 55.06 58.04 2p80 s HIS 255 Cb -0.43 0.69 0.03 0.00 -0.13 0.00 0.00 32.58 32.74 2p80 s HIS 255 CO 0.48 -0.58 0.79 -1.17 -2.47 0.00 0.00 174.74 171.79 2p80 s LEU 256 N 2.77 4.30 0.07 8.88 2.96 -1.26 -2.06 118.68 134.33 2p80 s LEU 256 Ca -0.04 -0.23 -0.31 0.00 -0.22 0.00 0.00 54.13 53.33 2p80 s LEU 256 Cb -0.10 -2.89 -0.09 0.00 0.50 0.00 0.00 46.19 43.61 2p80 s LEU 256 CO -0.19 -0.96 1.77 -0.63 -1.32 0.00 0.00 176.35 175.03 2p80 s ILE 257 N 3.32 2.92 0.00 6.68 1.01 0.43 -0.86 121.20 134.71 2p80 s ILE 257 Ca 0.28 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.21 2p80 s ILE 257 Cb -0.13 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.16 2p80 s ILE 257 CO 0.21 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2p80 n GLY 258 N 4.19 1.45 0.00 6.18 0.00 -1.26 -4.06 105.19 111.69 2p80 n GLY 258 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2p80 n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p80 n GLY 259 N -2.00 5.60 3.56 -0.02 0.00 -0.04 -5.00 105.19 107.29 2p80 n GLY 259 Ca 0.00 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 2p80 n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p80 s HIS 260 N 0.95 -0.23 -0.60 1.61 0.09 -1.26 -4.73 115.29 111.12 2p80 s HIS 260 Ca 0.00 0.20 -0.25 0.00 -0.00 0.00 0.00 55.06 55.01 2p80 s HIS 260 Cb 0.00 0.51 0.04 0.00 -0.00 0.00 0.00 32.58 33.13 2p80 s HIS 260 CO 0.00 -0.33 1.05 0.20 -0.00 0.00 0.00 174.74 175.66 2p80 s GLY 261 N -2.06 1.27 0.11 -2.22 0.00 -0.04 -4.73 107.32 99.65 2p80 s GLY 261 Ca 0.06 -1.23 -0.24 0.00 0.00 0.00 0.00 44.72 43.31 2p80 s GLY 261 CO -0.05 2.24 1.68 -0.55 0.00 0.00 0.00 173.10 176.42 2p80 h ASP 262 N 9.50 -0.38 -3.28 1.64 3.32 -1.68 -0.71 116.42 124.83 2p80 h ASP 262 Ca -0.26 0.05 -0.49 0.00 0.02 0.00 0.00 57.03 56.34 2p80 h ASP 262 Cb 1.07 0.15 -0.36 0.00 0.22 0.00 0.00 39.33 40.41 2p80 h ASP 262 CO 1.15 -0.20 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.37 2p80 s TYR 263 N -6.14 1.25 -0.20 4.55 1.51 -0.97 -1.30 117.35 116.05 2p80 s TYR 263 Ca -0.14 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.36 2p80 s TYR 263 Cb 0.08 -1.06 0.06 0.00 -0.11 0.00 0.00 41.96 40.93 2p80 s TYR 263 CO 0.66 -0.39 0.01 0.08 -1.11 0.00 0.00 175.55 174.80 2p80 s VAL 264 N 1.41 0.78 -1.15 0.71 1.01 -0.79 -0.83 120.40 121.54 2p80 s VAL 264 Ca -0.01 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 2p80 s VAL 264 Cb -0.13 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.06 2p80 s VAL 264 CO -0.04 -0.17 1.68 0.26 0.00 0.00 0.00 175.10 176.83 2p80 s TRP 265 N 1.74 2.51 0.27 5.22 0.51 -0.16 -2.46 118.94 126.58 2p80 s TRP 265 Ca -0.02 -0.92 -0.03 0.00 -2.12 0.00 0.00 56.10 53.01 2p80 s TRP 265 Cb -0.17 -4.59 0.38 0.00 -0.81 0.00 0.00 33.47 28.27 2p80 s TRP 265 CO -0.07 -1.78 1.93 0.00 -0.51 0.00 0.00 176.95 176.52 2p80 h ALA 266 N 8.93 1.37 0.00 0.98 0.00 -1.91 0.42 119.26 129.05 2p80 h ALA 266 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2p80 h ALA 266 Cb 0.94 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2p80 h ALA 266 CO 1.40 0.55 0.00 0.25 0.00 0.00 0.00 179.25 181.45 2p80 n THR 267 N -4.42 0.14 -1.82 0.00 -2.24 -1.26 -4.43 114.28 100.25 2p80 n THR 267 Ca 0.12 0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.84 2p80 n THR 267 Cb 0.07 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.70 2p80 n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p80 n GLY 268 N 1.11 0.45 3.13 3.38 0.00 0.11 -4.76 105.19 108.61 2p80 n GLY 268 Ca 0.10 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 2p80 n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p80 s LYS 269 N -3.81 2.79 0.20 1.61 -0.14 -1.26 -1.45 119.74 117.68 2p80 s LYS 269 Ca 0.00 -0.77 -0.06 0.00 -1.36 0.00 0.00 55.97 53.78 2p80 s LYS 269 Cb 0.00 -2.30 0.13 0.00 -1.68 0.00 0.00 37.83 33.98 2p80 s LYS 269 CO 0.00 -0.05 1.59 0.74 -0.76 0.00 0.00 175.35 176.87 2p80 h PHE 270 N 7.44 0.94 -0.08 3.18 0.04 -1.73 -2.92 116.94 123.80 2p80 h PHE 270 Ca -0.34 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.19 2p80 h PHE 270 Cb 1.18 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 2p80 h PHE 270 CO 0.47 0.98 -0.04 -0.91 -0.60 0.00 0.00 178.31 178.22 2p80 h ASN 271 N 0.70 0.10 -3.35 2.17 2.35 -1.96 -3.39 115.58 112.20 2p80 h ASN 271 Ca 0.09 -0.01 -0.57 0.00 -0.55 0.00 0.00 56.30 55.26 2p80 h ASN 271 Cb 0.79 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 39.07 2p80 h ASN 271 CO 0.07 0.16 0.87 -0.89 -1.65 0.00 0.00 177.43 175.98 2p80 s THR 272 N -4.95 4.42 0.12 2.81 2.01 -1.11 -4.96 115.64 113.99 2p80 s THR 272 Ca -0.05 1.61 -0.34 0.00 0.31 0.00 0.00 61.69 63.22 2p80 s THR 272 Cb 0.16 -4.41 -0.18 0.00 0.01 0.00 0.00 72.50 68.08 2p80 s THR 272 CO 0.70 -0.56 0.85 -2.65 -0.69 0.00 0.00 174.62 172.27 2p80 n PRO 273 N 7.07 0.21 -2.75 4.92 -0.02 -1.26 -4.84 135.00 138.33 2p80 n PRO 273 Ca 0.12 0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 2p80 n PRO 273 Cb 0.47 -1.36 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 2p80 n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2p80 s PRO 274 N -0.51 4.40 1.09 0.52 0.04 -1.26 -4.89 135.00 134.38 2p80 s PRO 274 Ca 0.76 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 2p80 s PRO 274 Cb -1.05 -3.54 0.14 0.00 0.04 0.00 0.00 34.50 30.09 2p80 s PRO 274 CO 0.56 -0.29 0.12 -0.25 0.04 0.00 0.00 177.00 177.18 2p80 n ASP 275 N 4.96 -2.76 -3.89 6.66 8.00 -1.03 -4.46 116.55 124.03 2p80 n ASP 275 Ca 0.07 -0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.18 2p80 n ASP 275 Cb 0.49 -0.86 -0.10 0.00 -0.02 0.00 0.00 41.12 40.63 2p80 n ASP 275 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2p80 s VAL 276 N -2.15 0.09 -1.09 2.53 -7.23 -1.26 -1.88 120.40 109.41 2p80 s VAL 276 Ca 0.48 -0.72 -0.03 0.00 -1.81 0.00 0.00 61.98 59.89 2p80 s VAL 276 Cb -0.08 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 2p80 s VAL 276 CO 0.52 -0.40 0.93 0.47 -0.31 0.00 0.00 175.10 176.32 2p80 n ASP 277 N 1.47 -4.63 -4.72 4.85 8.00 -0.42 -4.96 116.55 116.14 2p80 n ASP 277 Ca -0.23 -0.66 -0.35 0.00 0.71 0.00 0.00 54.79 54.26 2p80 n ASP 277 Cb 0.55 -5.07 -0.08 0.00 -0.02 0.00 0.00 41.12 36.50 2p80 n ASP 277 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2p80 s GLN 278 N -4.77 4.18 0.00 -1.24 -1.52 -0.29 -4.92 119.66 111.09 2p80 s GLN 278 Ca 0.26 -0.19 -0.12 0.00 -1.95 0.00 0.00 55.36 53.36 2p80 s GLN 278 Cb -0.03 -3.44 -0.32 0.00 -0.22 0.00 0.00 33.01 28.99 2p80 s GLN 278 CO 0.72 0.25 0.87 1.05 -0.25 0.00 0.00 175.29 177.92 2p80 h GLU 279 N 6.83 0.43 -2.73 2.91 4.11 -1.92 -0.06 114.58 124.16 2p80 h GLU 279 Ca -0.40 -0.74 -0.16 0.00 0.07 0.00 0.00 59.36 58.13 2p80 h GLU 279 Cb 1.15 0.28 -0.30 0.00 0.50 0.00 0.00 28.75 30.38 2p80 h GLU 279 CO 0.74 1.34 -0.44 0.99 0.07 0.00 0.00 179.01 181.72 2p80 s THR 280 N -2.60 -0.39 0.00 -1.06 2.01 -1.26 -4.41 115.64 107.93 2p80 s THR 280 Ca -0.11 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2p80 s THR 280 Cb 0.05 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 72.03 2p80 s THR 280 CO 0.90 0.08 0.00 -2.67 -0.69 0.00 0.00 174.62 172.24 2p80 n TRP 281 N 5.07 -0.66 -3.63 4.92 -0.00 -0.85 -4.95 117.44 117.34 2p80 n TRP 281 Ca -0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.33 2p80 n TRP 281 Cb 0.51 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.75 2p80 n TRP 281 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 2p80 s PHE 282 N 1.20 -1.02 -0.22 -2.67 5.36 -1.26 -4.03 117.98 115.34 2p80 s PHE 282 Ca 0.00 1.78 0.01 0.00 -0.96 0.00 0.00 56.93 57.76 2p80 s PHE 282 Cb 0.00 0.47 0.03 0.00 -0.34 0.00 0.00 43.02 43.19 2p80 s PHE 282 CO 0.00 -0.57 -0.15 0.42 -1.46 0.00 0.00 175.22 173.46 2p80 s ILE 283 N 2.72 2.24 0.17 3.12 1.01 -0.93 -4.76 121.20 124.77 2p80 s ILE 283 Ca -0.02 -1.20 -0.30 0.00 0.00 0.00 0.00 60.65 59.13 2p80 s ILE 283 Cb -0.12 -2.11 -0.08 0.00 0.01 0.00 0.00 42.46 40.16 2p80 s ILE 283 CO -0.15 0.28 1.19 -2.16 0.00 0.00 0.00 174.94 174.10 2p80 s PRO 284 N 1.23 4.50 0.16 2.79 0.04 -1.26 -1.65 135.00 140.81 2p80 s PRO 284 Ca -0.01 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 2p80 s PRO 284 Cb -0.16 -3.25 -0.16 0.00 0.04 0.00 0.00 34.50 30.97 2p80 s PRO 284 CO -0.09 -0.08 0.53 0.41 0.04 0.00 0.00 177.00 177.81 2p80 n GLY 285 N 2.25 -1.40 1.46 0.56 0.00 -1.12 -1.93 105.19 105.01 2p80 n GLY 285 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2p80 n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p80 n GLY 286 N 1.74 0.80 3.54 -0.02 0.00 0.96 -4.75 105.19 107.46 2p80 n GLY 286 Ca 0.16 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 2p80 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 s ALA 287 N -2.00 -1.83 -0.06 4.61 0.00 -0.81 -4.85 121.76 116.82 2p80 s ALA 287 Ca 0.00 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.43 2p80 s ALA 287 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2p80 s ALA 287 CO 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 175.76 175.19 2p80 s ALA 288 N -1.16 2.31 0.00 0.00 0.00 -1.26 -3.01 121.76 118.64 2p80 s ALA 288 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2p80 s ALA 288 Cb -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2p80 s ALA 288 CO 0.07 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2p80 n GLY 289 N 2.83 4.95 3.64 0.00 0.00 -0.21 -3.65 105.19 112.75 2p80 n GLY 289 Ca -0.17 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.65 2p80 n GLY 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 s ALA 290 N -2.00 -1.85 -0.04 4.61 0.00 -1.05 -2.71 121.76 118.72 2p80 s ALA 290 Ca 0.00 2.21 0.04 0.00 0.00 0.00 0.00 51.96 54.21 2p80 s ALA 290 Cb 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 2p80 s ALA 290 CO 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 175.76 175.25 2p80 s ALA 291 N 0.98 1.37 -0.14 0.00 0.00 -1.07 -0.99 121.76 121.93 2p80 s ALA 291 Ca -0.05 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2p80 s ALA 291 Cb -0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 2p80 s ALA 291 CO -0.09 0.25 -0.17 0.12 0.00 0.00 0.00 175.76 175.87 2p80 s PHE 292 N 0.04 2.74 -0.09 0.00 2.19 -0.01 -0.76 117.98 122.09 2p80 s PHE 292 Ca -0.03 -0.93 -0.07 0.00 0.33 0.00 0.00 56.93 56.22 2p80 s PHE 292 Cb -0.10 -1.84 0.03 0.00 -1.31 0.00 0.00 43.02 39.80 2p80 s PHE 292 CO 0.02 -0.39 0.24 -0.47 1.83 0.00 0.00 175.22 176.44 2p80 s TYR 293 N 0.58 -0.28 -0.30 10.12 5.04 -0.93 -1.89 117.35 129.70 2p80 s TYR 293 Ca -0.10 0.67 -0.15 0.00 -2.44 0.00 0.00 57.07 55.06 2p80 s TYR 293 Cb -0.16 0.08 -0.03 0.00 0.35 0.00 0.00 41.96 42.20 2p80 s TYR 293 CO 0.03 -0.15 0.37 0.99 -1.34 0.00 0.00 175.55 175.46 2p80 s THR 294 N 0.41 5.16 0.35 4.34 2.01 -1.26 -2.19 115.64 124.47 2p80 s THR 294 Ca -0.02 0.38 -0.28 0.00 0.31 0.00 0.00 61.69 62.08 2p80 s THR 294 Cb -0.04 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.62 2p80 s THR 294 CO -0.02 0.06 1.32 -0.36 -0.69 0.00 0.00 174.62 174.93 2p80 s PHE 295 N 2.07 2.95 0.00 4.92 0.08 -0.78 -4.86 117.98 122.36 2p80 s PHE 295 Ca 0.14 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.58 2p80 s PHE 295 Cb -0.16 -3.71 0.00 0.00 -0.57 0.00 0.00 43.02 38.58 2p80 s PHE 295 CO 0.11 -2.03 0.00 1.04 -0.10 0.00 0.00 175.22 174.24 2p80 n GLN 296 N 0.61 3.03 -4.48 0.44 1.13 -1.26 -0.31 117.38 116.55 2p80 n GLN 296 Ca 0.01 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.87 2p80 n GLN 296 Cb 0.42 -0.71 -0.15 0.00 0.11 0.00 0.00 30.24 29.91 2p80 n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2p80 s GLN 297 N -1.34 0.94 0.45 -1.09 -1.52 -1.26 -4.68 119.66 111.17 2p80 s GLN 297 Ca 0.00 -0.49 -0.09 0.00 -1.95 0.00 0.00 55.36 52.84 2p80 s GLN 297 Cb 0.00 -0.91 -0.05 0.00 -0.22 0.00 0.00 33.01 31.83 2p80 s GLN 297 CO 0.00 0.24 0.80 -1.25 -0.25 0.00 0.00 175.29 174.84 2p80 s PRO 298 N -0.45 3.68 0.00 2.91 0.04 -1.26 -4.81 135.00 135.11 2p80 s PRO 298 Ca 0.04 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2p80 s PRO 298 Cb -0.05 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2p80 s PRO 298 CO -0.00 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2p80 n GLY 299 N -1.78 0.85 3.46 0.56 0.00 -0.32 -4.94 105.19 103.02 2p80 n GLY 299 Ca 0.02 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 2p80 n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p80 s ILE 300 N -1.98 3.98 0.05 -0.61 -1.09 -1.26 -0.86 121.20 119.43 2p80 s ILE 300 Ca 0.00 -0.31 0.09 0.00 -2.23 0.00 0.00 60.65 58.20 2p80 s ILE 300 Cb 0.00 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 2p80 s ILE 300 CO 0.00 0.44 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.58 2p80 s TYR 301 N 0.86 2.27 -0.15 3.97 1.51 -0.76 -4.95 117.35 120.11 2p80 s TYR 301 Ca 0.01 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.59 2p80 s TYR 301 Cb -0.14 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 2p80 s TYR 301 CO 0.02 0.12 0.09 0.00 -1.11 0.00 0.00 175.55 174.67 2p80 s ALA 302 N -0.81 3.60 -0.23 3.71 0.00 -1.26 -0.10 121.76 126.68 2p80 s ALA 302 Ca 0.11 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 2p80 s ALA 302 Cb -0.10 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.15 2p80 s ALA 302 CO 0.02 0.41 -0.11 -0.47 0.00 0.00 0.00 175.76 175.61 2p80 s TYR 303 N -0.36 2.99 0.30 0.00 6.14 -0.91 -0.43 117.35 125.09 2p80 s TYR 303 Ca 0.10 -1.62 -0.17 0.00 0.64 0.00 0.00 57.07 56.02 2p80 s TYR 303 Cb -0.12 -2.01 0.02 0.00 0.42 0.00 0.00 41.96 40.28 2p80 s TYR 303 CO 0.01 -0.75 0.68 0.14 0.64 0.00 0.00 175.55 176.27 2p80 s VAL 304 N 1.30 0.00 0.12 3.14 -7.23 -0.88 -1.71 120.40 115.15 2p80 s VAL 304 Ca 0.01 -1.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.76 2p80 s VAL 304 Cb -0.16 -2.27 -0.09 0.00 0.56 0.00 0.00 36.38 34.42 2p80 s VAL 304 CO -0.07 0.00 1.55 0.21 -0.31 0.00 0.00 175.10 176.48 2p80 s ASN 305 N -2.99 6.65 0.12 4.85 3.84 -1.01 -2.22 114.94 124.18 2p80 s ASN 305 Ca 0.15 2.50 -0.19 0.00 0.21 0.00 0.00 52.86 55.53 2p80 s ASN 305 Cb -0.05 -2.58 -0.06 0.00 -0.55 0.00 0.00 41.25 38.01 2p80 s ASN 305 CO 0.09 -0.80 1.75 -0.74 -2.79 0.00 0.00 177.10 174.61 2p80 h HIS 306 N 7.24 0.30 0.00 0.43 -0.00 -1.43 -3.35 115.15 118.34 2p80 h HIS 306 Ca -0.42 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 59.81 2p80 h HIS 306 Cb 1.20 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.47 2p80 h HIS 306 CO 0.69 0.22 0.80 -1.71 -0.00 0.00 0.00 177.93 177.93 2p80 n ASN 307 N -4.90 -0.64 -0.29 3.26 2.85 -1.26 -4.40 115.26 109.88 2p80 n ASN 307 Ca -0.03 -0.27 0.11 0.00 -0.11 0.00 0.00 54.58 54.28 2p80 n ASN 307 Cb 0.05 -0.22 0.26 0.00 1.24 0.00 0.00 39.78 41.10 2p80 n ASN 307 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2p80 h LEU 308 N 4.50 0.03 -0.05 1.20 3.38 -1.98 0.41 115.31 122.80 2p80 h LEU 308 Ca 0.01 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2p80 h LEU 308 Cb 0.47 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2p80 h LEU 308 CO 0.65 -0.10 -0.01 0.40 0.09 0.00 0.00 178.44 179.46 2p80 h ILE 309 N 0.25 0.95 -0.34 1.22 2.04 -1.91 0.16 117.51 119.87 2p80 h ILE 309 Ca 0.51 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.34 2p80 h ILE 309 Cb 0.99 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2p80 h ILE 309 CO -0.60 0.00 0.05 -0.33 0.00 0.00 0.00 178.15 177.26 2p80 h GLU 310 N -0.00 0.51 0.00 2.37 5.08 -0.70 0.23 114.58 122.06 2p80 h GLU 310 Ca 0.02 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 2p80 h GLU 310 Cb 0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2p80 h GLU 310 CO -0.05 0.50 -0.80 0.00 -1.00 0.00 0.00 179.01 177.66 2p80 h ALA 311 N 1.56 0.58 0.00 3.43 0.00 0.35 -0.68 119.26 124.51 2p80 h ALA 311 Ca 0.11 -0.67 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 2p80 h ALA 311 Cb 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2p80 h ALA 311 CO 0.00 0.87 -1.51 1.19 0.00 0.00 0.00 179.25 179.81 2p80 n PHE 312 N -3.21 0.00 0.03 0.00 3.72 0.48 -3.46 117.46 115.01 2p80 n PHE 312 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.34 2p80 n PHE 312 Cb 0.82 -0.34 -0.10 0.00 -0.94 0.00 0.00 39.48 38.91 2p80 n PHE 312 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2p80 h GLU 313 N 0.00 0.00 0.04 -1.08 4.39 -1.11 -3.40 114.58 113.42 2p80 h GLU 313 Ca -0.20 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.14 2p80 h GLU 313 Cb 1.32 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.92 2p80 h GLU 313 CO -0.03 0.56 -2.09 1.28 -1.16 0.00 0.00 179.01 177.58 2p80 n LEU 314 N -3.10 2.44 0.00 1.33 4.77 -0.75 -5.00 117.00 116.69 2p80 n LEU 314 Ca -0.09 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2p80 n LEU 314 Cb 0.94 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2p80 n LEU 314 CO 0.44 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 2p80 n GLY 315 N 1.80 1.01 2.73 -0.72 0.00 -0.99 -3.85 105.19 105.17 2p80 n GLY 315 Ca -0.40 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 2p80 n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 n ALA 316 N 0.00 5.64 -3.67 4.61 0.00 -0.25 -3.77 120.51 123.07 2p80 n ALA 316 Ca 0.00 -4.65 -0.12 0.00 0.00 0.00 0.00 53.44 48.66 2p80 n ALA 316 Cb 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 19.45 17.48 2p80 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2p80 s ALA 317 N -3.96 -0.71 0.25 0.00 0.00 -1.25 -2.41 121.76 113.68 2p80 s ALA 317 Ca 0.41 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.49 2p80 s ALA 317 Cb 0.20 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 22.29 2p80 s ALA 317 CO -0.11 -0.62 0.21 0.00 0.00 0.00 0.00 175.76 175.24 2p80 n ALA 318 N 5.22 0.40 -3.52 0.00 0.00 -0.70 -4.61 120.51 117.31 2p80 n ALA 318 Ca -0.09 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.24 2p80 n ALA 318 Cb 0.50 0.39 -0.13 0.00 0.00 0.00 0.00 19.45 20.21 2p80 n ALA 318 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2p80 s HIS 319 N -1.13 -0.23 -0.21 0.00 3.76 -0.70 -2.14 115.29 114.65 2p80 s HIS 319 Ca 0.16 0.58 -0.04 0.00 -0.15 0.00 0.00 55.06 55.61 2p80 s HIS 319 Cb -0.01 0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 2p80 s HIS 319 CO 0.10 -0.17 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.72 2p80 s PHE 320 N 0.86 2.96 0.02 1.40 0.40 0.86 -2.02 117.98 122.46 2p80 s PHE 320 Ca -0.06 -0.79 -0.22 0.00 -0.60 0.00 0.00 56.93 55.26 2p80 s PHE 320 Cb -0.08 -2.07 -0.06 0.00 0.51 0.00 0.00 43.02 41.32 2p80 s PHE 320 CO -0.05 -0.44 0.64 0.15 0.70 0.00 0.00 175.22 176.23 2p80 s LYS 321 N 1.23 4.36 -0.06 0.44 1.02 -0.86 -1.83 119.74 124.05 2p80 s LYS 321 Ca 0.03 0.84 0.02 0.00 0.02 0.00 0.00 55.97 56.87 2p80 s LYS 321 Cb -0.14 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2p80 s LYS 321 CO -0.01 0.39 -0.10 0.08 -0.92 0.00 0.00 175.35 174.79 2p80 s VAL 322 N -0.31 0.95 0.15 3.17 1.01 -0.04 -1.46 120.40 123.88 2p80 s VAL 322 Ca 0.33 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2p80 s VAL 322 Cb -0.19 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2p80 s VAL 322 CO 0.19 0.31 0.27 0.42 0.00 0.00 0.00 175.10 176.29 2p80 s THR 323 N 0.70 5.23 -5.00 3.92 -4.23 -0.80 -1.17 115.64 114.29 2p80 s THR 323 Ca -0.13 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 2p80 s THR 323 Cb -0.15 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 69.99 2p80 s THR 323 CO 0.03 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 2p80 n GLY 324 N -0.54 0.18 3.49 3.99 0.00 -1.26 -1.38 105.19 109.67 2p80 n GLY 324 Ca -0.07 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 2p80 n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p80 s GLU 325 N -2.00 2.60 0.67 1.61 2.02 -1.26 -4.82 118.70 117.52 2p80 s GLU 325 Ca 0.00 -0.66 -0.16 0.00 0.02 0.00 0.00 54.97 54.17 2p80 s GLU 325 Cb 0.00 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.80 2p80 s GLU 325 CO 0.00 0.61 1.16 -0.46 0.02 0.00 0.00 175.26 176.59 2p80 s TRP 326 N -0.69 2.37 -0.31 1.61 -0.11 -1.26 -4.46 118.94 116.09 2p80 s TRP 326 Ca 0.11 1.57 0.02 0.00 1.22 0.00 0.00 56.10 59.02 2p80 s TRP 326 Cb -0.11 -3.33 0.09 0.00 -1.50 0.00 0.00 33.47 28.62 2p80 s TRP 326 CO 0.01 -2.09 0.03 1.21 -4.62 0.00 0.00 176.95 171.49 2p80 s ASN 327 N -2.21 4.41 0.19 5.86 3.84 -1.26 -4.97 114.94 120.79 2p80 s ASN 327 Ca 0.71 -1.80 -0.09 0.00 0.21 0.00 0.00 52.86 51.89 2p80 s ASN 327 Cb -0.25 -1.37 0.11 0.00 -0.55 0.00 0.00 41.25 39.19 2p80 s ASN 327 CO 0.41 -0.35 1.72 0.44 -2.79 0.00 0.00 177.10 176.53 2p80 h ASP 328 N 7.80 1.03 -0.86 -4.21 3.32 -1.95 -2.55 116.42 118.99 2p80 h ASP 328 Ca -0.10 -0.22 0.21 0.00 0.02 0.00 0.00 57.03 56.94 2p80 h ASP 328 Cb 1.03 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.16 2p80 h ASP 328 CO 0.48 0.98 0.01 -0.78 -1.72 0.00 0.00 179.24 178.21 2p80 h ASP 329 N 1.03 -0.41 -0.23 6.45 3.58 -2.01 0.23 116.42 125.06 2p80 h ASP 329 Ca 0.22 0.23 -0.18 0.00 0.42 0.00 0.00 57.03 57.72 2p80 h ASP 329 Cb 0.33 0.41 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2p80 h ASP 329 CO -0.00 -0.24 -0.58 -0.07 -2.88 0.00 0.00 179.24 175.47 2p80 h LEU 330 N 0.07 0.90 -7.02 2.28 3.38 -1.92 -3.46 115.31 109.55 2p80 h LEU 330 Ca 0.49 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2p80 h LEU 330 Cb 0.91 -0.26 -0.21 0.00 0.09 0.00 0.00 40.66 41.19 2p80 h LEU 330 CO -0.77 1.31 0.09 -0.32 0.09 0.00 0.00 178.44 178.83 2p80 s MET 331 N -3.98 0.80 -0.18 1.13 0.00 0.82 -5.14 119.30 112.75 2p80 s MET 331 Ca -0.11 1.02 -0.12 0.00 0.00 0.00 0.00 55.69 56.48 2p80 s MET 331 Cb 0.09 0.35 0.05 0.00 0.00 0.00 0.00 34.83 35.33 2p80 s MET 331 CO 0.88 -0.11 0.44 -0.08 0.00 0.00 0.00 175.02 176.16 2p80 s THR 332 N 0.60 -0.01 -0.81 10.11 -1.32 -1.24 -3.97 115.64 119.00 2p80 s THR 332 Ca -0.02 0.05 -0.26 0.00 -1.21 0.00 0.00 61.69 60.26 2p80 s THR 332 Cb -0.05 -0.64 0.04 0.00 -1.51 0.00 0.00 72.50 70.34 2p80 s THR 332 CO -0.03 0.02 1.30 -0.55 -2.21 0.00 0.00 174.62 173.15 2p80 s SER 333 N 0.95 6.25 0.14 8.08 0.15 -1.26 -4.84 113.70 123.16 2p80 s SER 333 Ca -0.06 -0.76 -0.17 0.00 0.70 0.00 0.00 55.95 55.67 2p80 s SER 333 Cb -0.06 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2p80 s SER 333 CO -0.08 -1.72 1.74 0.58 1.20 0.00 0.00 173.24 174.97 2p80 h VAL 334 N 6.21 1.14 -3.47 4.45 2.07 -2.03 -3.39 116.25 121.24 2p80 h VAL 334 Ca -0.16 -0.36 -0.58 0.00 0.82 0.00 0.00 66.70 66.42 2p80 h VAL 334 Cb 1.04 0.72 -0.39 0.00 -1.52 0.00 0.00 31.29 31.14 2p80 h VAL 334 CO 1.31 0.14 -0.77 -0.22 0.02 0.00 0.00 177.57 178.05 2p80 s LEU 335 N -10.00 2.14 0.71 2.57 2.96 -1.26 -5.12 118.68 110.69 2p80 s LEU 335 Ca -0.13 -1.14 -0.15 0.00 -0.22 0.00 0.00 54.13 52.49 2p80 s LEU 335 Cb 0.10 -0.97 0.03 0.00 0.50 0.00 0.00 46.19 45.85 2p80 s LEU 335 CO 0.73 -0.28 1.18 0.00 -1.32 0.00 0.00 176.35 176.65 2p80 s ALA 336 N 1.56 2.21 -0.36 5.97 0.00 -1.26 -4.82 121.76 125.05 2p80 s ALA 336 Ca -0.02 0.77 -0.41 0.00 0.00 0.00 0.00 51.96 52.30 2p80 s ALA 336 Cb -0.18 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.36 2p80 s ALA 336 CO -0.09 -1.72 1.88 -2.30 0.00 0.00 0.00 175.76 173.53 2p80 n PRO 337 N -2.66 0.78 -1.70 0.00 -0.02 -1.26 -4.91 135.00 125.22 2p80 n PRO 337 Ca 0.12 0.26 -0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2p80 n PRO 337 Cb 0.51 -1.99 -0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2p80 n PRO 337 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2p80 n SER 338 N 6.40 -0.01 0.00 2.55 3.41 -1.26 -5.30 113.62 119.41 2p80 n SER 338 Ca 0.35 -1.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.07 2p80 n SER 338 Cb 0.09 0.02 0.75 0.00 -0.26 0.00 0.00 64.21 64.81 2p80 n SER 338 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49