#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snr s THR 5 N 0.00 2.95 0.26 0.00 -4.23 -1.26 -4.89 115.64 108.48 1snr s THR 5 Ca 0.00 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1snr s THR 5 Cb 0.00 -3.27 0.25 0.00 1.34 0.00 0.00 72.50 70.82 1snr s THR 5 CO 0.00 -0.33 1.85 0.00 -0.54 0.00 0.00 174.62 175.60 1snr h ALA 6 N -0.64 1.35 -0.56 3.99 0.00 -2.05 -1.48 119.26 119.87 1snr h ALA 6 Ca -0.45 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1snr h ALA 6 Cb 1.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1snr h ALA 6 CO 0.63 0.30 -0.01 0.00 0.00 0.00 0.00 179.25 180.17 1snr h ALA 7 N 1.47 0.76 -0.75 0.00 0.00 -1.99 -1.45 119.26 117.30 1snr h ALA 7 Ca 0.43 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1snr h ALA 7 Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1snr h ALA 7 CO -0.21 0.60 0.36 0.93 0.00 0.00 0.00 179.25 180.94 1snr h GLU 8 N 0.89 1.07 -0.45 0.00 5.08 -1.78 -2.41 114.58 116.99 1snr h GLU 8 Ca 0.16 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1snr h GLU 8 Cb 0.56 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1snr h GLU 8 CO 0.03 0.84 -0.17 0.82 -1.00 0.00 0.00 179.01 179.53 1snr h ILE 9 N 1.05 1.27 0.00 3.13 2.04 -1.11 -2.82 117.51 121.07 1snr h ILE 9 Ca 0.26 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 1snr h ILE 9 Cb 0.12 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1snr h ILE 9 CO -0.03 0.44 -0.14 0.00 0.00 0.00 0.00 178.15 178.42 1snr h ALA 10 N 1.03 1.32 0.00 1.87 0.00 -0.85 -2.31 119.26 120.32 1snr h ALA 10 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1snr h ALA 10 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1snr h ALA 10 CO 0.05 0.18 -0.26 0.00 0.00 0.00 0.00 179.25 179.23 1snr n ALA 11 N -2.31 2.72 -1.77 0.00 0.00 -0.94 -4.91 120.51 113.30 1snr n ALA 11 Ca -0.02 -0.17 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 1snr n ALA 11 Cb 0.26 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.39 1snr n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1snr s LEU 12 N -3.68 3.77 0.59 0.00 1.43 -0.87 -4.99 118.68 114.93 1snr s LEU 12 Ca 0.11 2.24 -0.19 0.00 -1.03 0.00 0.00 54.13 55.26 1snr s LEU 12 Cb 0.16 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 1snr s LEU 12 CO 0.63 -1.25 1.28 -2.84 0.23 0.00 0.00 176.35 174.40 1snr s PRO 13 N -3.20 2.90 -0.06 1.29 0.02 -1.26 -4.74 135.00 129.95 1snr s PRO 13 Ca 0.72 2.02 -0.02 0.00 0.02 0.00 0.00 61.00 63.75 1snr s PRO 13 Cb -0.26 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 1snr s PRO 13 CO 0.29 -1.31 0.03 1.03 -0.33 0.00 0.00 177.00 176.71 1snr s ARG 14 N -3.20 3.01 -0.08 5.54 3.00 -1.26 -1.01 118.95 124.95 1snr s ARG 14 Ca 0.77 -0.43 -0.00 0.00 0.00 0.00 0.00 55.73 56.07 1snr s ARG 14 Cb -0.36 -2.82 0.03 0.00 0.00 0.00 0.00 34.95 31.80 1snr s ARG 14 CO 0.39 0.69 -0.03 -1.14 0.00 0.00 0.00 175.30 175.21 1snr s GLN 15 N -1.16 0.92 -0.09 3.54 0.74 -0.53 -4.95 119.66 118.13 1snr s GLN 15 Ca 0.16 -0.04 -0.22 0.00 0.05 0.00 0.00 55.36 55.31 1snr s GLN 15 Cb -0.12 -1.11 -0.04 0.00 1.10 0.00 0.00 33.01 32.85 1snr s GLN 15 CO 0.06 -0.24 0.62 0.15 -0.55 0.00 0.00 175.29 175.33 1snr s LYS 16 N 1.64 4.40 -0.06 1.67 1.02 -1.26 -0.41 119.74 126.74 1snr s LYS 16 Ca 0.01 0.72 0.01 0.00 0.02 0.00 0.00 55.97 56.74 1snr s LYS 16 Cb -0.13 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1snr s LYS 16 CO -0.05 0.09 -0.08 0.08 -0.92 0.00 0.00 175.35 174.47 1snr s VAL 17 N 0.77 3.58 -0.30 3.17 1.01 -0.56 -4.94 120.40 123.12 1snr s VAL 17 Ca 0.33 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 1snr s VAL 17 Cb -0.17 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1snr s VAL 17 CO 0.15 0.60 0.28 -1.61 0.00 0.00 0.00 175.10 174.52 1snr s GLU 18 N -0.79 3.79 0.52 2.72 8.01 -1.26 -4.67 118.70 127.03 1snr s GLU 18 Ca 0.12 -0.33 -0.18 0.00 0.01 0.00 0.00 54.97 54.59 1snr s GLU 18 Cb -0.11 -3.72 -0.07 0.00 -4.31 0.00 0.00 34.13 25.92 1snr s GLU 18 CO 0.01 -0.33 1.02 -0.51 0.01 0.00 0.00 175.26 175.46 1snr s LEU 19 N 1.88 3.69 0.22 1.80 1.43 -1.26 -4.71 118.68 121.73 1snr s LEU 19 Ca 0.10 1.78 0.08 0.00 -1.03 0.00 0.00 54.13 55.06 1snr s LEU 19 Cb -0.16 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 1snr s LEU 19 CO 0.11 -0.82 -0.14 0.68 0.23 0.00 0.00 176.35 176.41 1snr s VAL 20 N -2.31 1.79 0.20 -1.59 -7.23 -1.26 -5.00 120.40 105.00 1snr s VAL 20 Ca 0.64 -2.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 1snr s VAL 20 Cb -0.14 -2.12 -0.08 0.00 0.56 0.00 0.00 36.38 34.60 1snr s VAL 20 CO 0.27 -0.54 1.18 -1.81 -0.31 0.00 0.00 175.10 173.89 1snr s ASP 21 N -3.35 7.12 0.71 4.85 -0.00 -1.26 -4.62 116.67 120.12 1snr s ASP 21 Ca 0.24 2.24 -0.16 0.00 -0.00 0.00 0.00 52.55 54.87 1snr s ASP 21 Cb -0.01 -2.61 -0.00 0.00 -0.00 0.00 0.00 42.92 40.30 1snr s ASP 21 CO 0.08 -0.33 0.92 -2.65 -0.00 0.00 0.00 175.17 173.19 1snr n PRO 22 N 2.26 0.50 -0.07 8.23 -0.02 -1.26 -2.26 135.00 142.38 1snr n PRO 22 Ca 0.03 0.22 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 1snr n PRO 22 Cb 0.45 -2.17 0.34 0.00 -0.02 0.00 0.00 33.50 32.09 1snr n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1snr n PRO 23 N -1.69 1.47 -1.45 0.52 -0.04 -1.26 -5.05 135.00 127.49 1snr n PRO 23 Ca 0.13 -0.71 -0.30 0.00 -0.04 0.00 0.00 63.50 62.58 1snr n PRO 23 Cb 0.49 -1.30 0.10 0.00 -0.04 0.00 0.00 33.50 32.75 1snr n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1snr s PHE 24 N -1.82 2.69 -0.01 0.54 0.40 -0.96 -0.87 117.98 117.95 1snr s PHE 24 Ca 0.26 1.19 0.03 0.00 -0.60 0.00 0.00 56.93 57.81 1snr s PHE 24 Cb 0.13 -3.13 -0.00 0.00 0.51 0.00 0.00 43.02 40.53 1snr s PHE 24 CO 0.20 -1.92 -0.09 0.08 0.70 0.00 0.00 175.22 174.19 1snr s VAL 25 N -3.09 0.71 0.88 -0.44 1.01 -1.26 -4.65 120.40 113.55 1snr s VAL 25 Ca 0.61 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 1snr s VAL 25 Cb -0.15 -0.60 0.13 0.00 0.00 0.00 0.00 36.38 35.75 1snr s VAL 25 CO 0.55 0.20 1.16 -1.38 0.00 0.00 0.00 175.10 175.64 1snr s HIS 26 N -0.12 1.69 0.29 5.22 -3.43 -1.26 -4.90 115.29 112.78 1snr s HIS 26 Ca 0.02 1.76 -0.30 0.00 -0.80 0.00 0.00 55.06 55.74 1snr s HIS 26 Cb -0.04 -3.38 -0.12 0.00 -1.43 0.00 0.00 32.58 27.61 1snr s HIS 26 CO -0.00 -2.80 1.55 0.00 -2.00 0.00 0.00 174.74 171.50 1snr n ALA 27 N -3.96 2.30 -3.78 -1.38 0.00 -1.26 -4.98 120.51 107.44 1snr n ALA 27 Ca 0.12 0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.86 1snr n ALA 27 Cb 0.52 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 1snr n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1snr s HIS 28 N -0.12 -0.23 -0.09 0.00 -3.43 -1.26 -5.02 115.29 105.14 1snr s HIS 28 Ca 0.64 -0.19 0.01 0.00 -0.80 0.00 0.00 55.06 54.71 1snr s HIS 28 Cb -0.52 0.68 -0.02 0.00 -1.43 0.00 0.00 32.58 31.28 1snr s HIS 28 CO 0.50 -1.18 -0.10 0.45 -2.00 0.00 0.00 174.74 172.41 1snr s SER 29 N -2.90 4.34 0.06 7.38 0.15 -1.26 -5.03 113.70 116.44 1snr s SER 29 Ca 0.10 -0.15 -0.21 0.00 0.70 0.00 0.00 55.95 56.38 1snr s SER 29 Cb -0.05 -1.25 -0.13 0.00 -1.71 0.00 0.00 66.02 62.89 1snr s SER 29 CO 0.04 0.29 1.49 1.56 1.20 0.00 0.00 173.24 177.83 1snr h GLN 30 N 5.78 0.24 -5.96 5.44 4.20 -1.97 -3.40 115.11 119.44 1snr h GLN 30 Ca -0.41 -0.07 -0.57 0.00 0.06 0.00 0.00 58.65 57.66 1snr h GLN 30 Cb 1.18 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.87 1snr h GLN 30 CO 0.54 0.47 -0.03 0.08 -0.67 0.00 0.00 178.83 179.22 1snr s VAL 31 N -5.01 5.04 0.31 -0.54 1.01 -1.26 -3.39 120.40 116.55 1snr s VAL 31 Ca -0.14 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.75 1snr s VAL 31 Cb 0.06 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.39 1snr s VAL 31 CO 0.71 0.34 1.49 0.00 0.00 0.00 0.00 175.10 177.65 1snr n ALA 32 N 3.30 2.05 -2.81 5.51 0.00 0.11 -4.95 120.51 123.72 1snr n ALA 32 Ca -0.05 0.37 -0.44 0.00 0.00 0.00 0.00 53.44 53.32 1snr n ALA 32 Cb 0.51 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.53 1snr n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1snr s GLU 33 N -1.01 3.16 0.90 0.00 2.02 -1.26 -4.96 118.70 117.55 1snr s GLU 33 Ca 0.61 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.81 1snr s GLU 33 Cb -0.53 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 29.56 1snr s GLU 33 CO 0.54 -1.44 0.00 0.41 0.02 0.00 0.00 175.26 174.79 1snr n GLY 34 N 5.20 -2.12 1.85 -1.39 0.00 -1.26 -4.97 105.19 102.51 1snr n GLY 34 Ca -0.05 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 1snr n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1snr n GLY 35 N -0.07 -1.08 3.65 -0.02 0.00 -1.26 -4.98 105.19 101.42 1snr n GLY 35 Ca 0.00 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1snr n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1snr n PRO 36 N -2.29 1.64 -4.28 1.61 -0.02 -1.26 -5.00 135.00 125.40 1snr n PRO 36 Ca 0.08 0.58 -0.15 0.00 -2.02 0.00 0.00 63.50 61.99 1snr n PRO 36 Cb 0.28 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 1snr n PRO 36 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1snr s LYS 37 N -1.98 1.17 -0.44 -0.52 -2.85 -1.26 -4.35 119.74 109.51 1snr s LYS 37 Ca 0.61 -1.54 -0.19 0.00 -1.00 0.00 0.00 55.97 53.85 1snr s LYS 37 Cb -0.57 -0.64 0.03 0.00 -2.06 0.00 0.00 37.83 34.59 1snr s LYS 37 CO 0.59 0.02 0.55 0.08 0.10 0.00 0.00 175.35 176.68 1snr s VAL 38 N -3.35 4.95 -0.25 1.79 1.01 -0.18 -1.16 120.40 123.21 1snr s VAL 38 Ca 0.21 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 1snr s VAL 38 Cb 0.04 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1snr s VAL 38 CO 0.04 -0.55 0.32 -0.69 0.00 0.00 0.00 175.10 174.22 1snr s VAL 39 N 2.50 5.23 -0.18 2.92 1.01 0.38 -1.45 120.40 130.81 1snr s VAL 39 Ca 0.17 0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 1snr s VAL 39 Cb -0.16 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1snr s VAL 39 CO 0.16 0.23 0.02 -1.61 0.00 0.00 0.00 175.10 173.90 1snr s GLU 40 N 1.65 3.82 0.10 2.72 2.02 0.45 -0.80 118.70 128.65 1snr s GLU 40 Ca 0.14 -0.43 0.06 0.00 0.02 0.00 0.00 54.97 54.76 1snr s GLU 40 Cb -0.15 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 1snr s GLU 40 CO 0.09 0.20 -0.16 -0.06 0.02 0.00 0.00 175.26 175.34 1snr s PHE 41 N 0.52 1.48 -0.04 1.61 0.40 -0.34 -1.50 117.98 120.10 1snr s PHE 41 Ca 0.01 -0.47 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1snr s PHE 41 Cb -0.13 -0.80 0.00 0.00 0.51 0.00 0.00 43.02 42.60 1snr s PHE 41 CO 0.02 0.14 -0.12 0.99 0.70 0.00 0.00 175.22 176.95 1snr s THR 42 N -1.51 1.01 -0.02 0.64 2.01 -1.26 -0.67 115.64 115.83 1snr s THR 42 Ca 0.04 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1snr s THR 42 Cb -0.08 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.53 1snr s THR 42 CO 0.03 0.31 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.17 1snr s MET 43 N 0.30 0.75 -0.18 4.92 -1.94 -0.21 -4.90 119.30 118.04 1snr s MET 43 Ca -0.06 -0.20 -0.10 0.00 -1.71 0.00 0.00 55.69 53.62 1snr s MET 43 Cb -0.11 -0.73 -0.05 0.00 2.01 0.00 0.00 34.83 35.95 1snr s MET 43 CO 0.02 0.05 0.16 0.08 -0.01 0.00 0.00 175.02 175.32 1snr s VAL 44 N 0.35 5.40 0.00 -6.03 1.01 -1.26 -1.31 120.40 118.56 1snr s VAL 44 Ca -0.05 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 1snr s VAL 44 Cb -0.09 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1snr s VAL 44 CO 0.00 0.47 0.80 -0.63 0.00 0.00 0.00 175.10 175.74 1snr s ILE 45 N 0.10 4.85 -0.19 2.22 1.01 -0.35 -0.71 121.20 128.13 1snr s ILE 45 Ca 0.11 1.69 0.01 0.00 0.00 0.00 0.00 60.65 62.46 1snr s ILE 45 Cb -0.12 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.24 1snr s ILE 45 CO 0.00 0.28 -0.12 -1.61 0.00 0.00 0.00 174.94 173.49 1snr s GLU 46 N 0.45 2.24 -0.20 2.79 0.41 -0.08 -4.41 118.70 119.91 1snr s GLU 46 Ca 0.42 -0.84 -0.29 0.00 -0.41 0.00 0.00 54.97 53.85 1snr s GLU 46 Cb -0.20 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.73 1snr s GLU 46 CO 0.23 -0.37 1.08 -1.21 -0.49 0.00 0.00 175.26 174.50 1snr s GLU 47 N 1.37 4.28 0.03 1.61 2.02 -1.26 -1.28 118.70 125.46 1snr s GLU 47 Ca 0.00 1.43 -0.21 0.00 0.02 0.00 0.00 54.97 56.21 1snr s GLU 47 Cb -0.15 -3.65 0.05 0.00 0.10 0.00 0.00 34.13 30.47 1snr s GLU 47 CO -0.09 -0.60 0.49 -1.59 0.02 0.00 0.00 175.26 173.48 1snr s LYS 48 N 3.09 0.96 0.22 1.61 -2.85 -0.71 -4.99 119.74 117.08 1snr s LYS 48 Ca 0.47 -0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 54.95 1snr s LYS 48 Cb -0.17 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 35.95 1snr s LYS 48 CO 0.10 -0.33 1.14 0.15 0.10 0.00 0.00 175.35 176.50 1snr s LYS 49 N -2.15 4.57 0.13 1.78 1.02 -1.26 -0.41 119.74 123.42 1snr s LYS 49 Ca -0.07 1.81 0.09 0.00 0.02 0.00 0.00 55.97 57.82 1snr s LYS 49 Cb -0.01 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 1snr s LYS 49 CO 0.00 0.06 -0.21 0.96 -0.92 0.00 0.00 175.35 175.25 1snr s ILE 50 N -0.53 1.82 -0.22 2.17 -4.36 -0.19 -4.90 121.20 115.00 1snr s ILE 50 Ca 0.49 -1.68 -0.07 0.00 -0.26 0.00 0.00 60.65 59.13 1snr s ILE 50 Cb -0.32 -1.70 -0.03 0.00 1.25 0.00 0.00 42.46 41.66 1snr s ILE 50 CO 0.38 -0.11 0.05 -0.69 0.24 0.00 0.00 174.94 174.81 1snr s VAL 51 N -1.40 4.33 -0.95 8.37 1.01 -1.26 -1.05 120.40 129.45 1snr s VAL 51 Ca 0.10 -0.18 0.14 0.00 0.00 0.00 0.00 61.98 62.04 1snr s VAL 51 Cb -0.09 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 1snr s VAL 51 CO 0.05 0.39 0.68 2.30 0.00 0.00 0.00 175.10 178.52 1snr n ILE 52 N 4.42 0.00 -3.99 2.22 -5.35 0.04 -4.79 119.36 111.91 1snr n ILE 52 Ca -0.16 -0.25 -0.11 0.00 -0.27 0.00 0.00 62.75 61.96 1snr n ILE 52 Cb 0.52 1.07 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 1snr n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1snr s ASP 53 N -2.08 0.33 0.00 7.28 3.84 -1.26 -0.37 116.67 124.41 1snr s ASP 53 Ca 0.08 -1.19 0.31 0.00 -0.00 0.00 0.00 52.55 51.75 1snr s ASP 53 Cb 0.11 0.68 1.65 0.00 -1.38 0.00 0.00 42.92 43.98 1snr s ASP 53 CO 0.48 -1.34 2.09 -0.90 -0.00 0.00 0.00 175.17 175.51 1snr n ASP 54 N -1.02 0.25 -0.66 2.11 5.68 -1.26 -2.14 116.55 119.51 1snr n ASP 54 Ca -0.02 -0.88 0.08 0.00 -0.50 0.00 0.00 54.79 53.47 1snr n ASP 54 Cb 0.61 -0.05 0.26 0.00 -1.14 0.00 0.00 41.12 40.79 1snr n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1snr n ALA 55 N -0.89 2.47 -1.15 2.12 0.00 -1.26 -4.93 120.51 116.88 1snr n ALA 55 Ca 0.21 -0.62 -0.05 0.00 0.00 0.00 0.00 53.44 52.98 1snr n ALA 55 Cb 0.18 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 1snr n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1snr n GLY 56 N 1.13 0.77 3.75 0.00 0.00 -0.91 -4.99 105.19 104.93 1snr n GLY 56 Ca 0.14 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1snr n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1snr s THR 57 N -2.16 2.53 0.02 2.61 2.01 -1.26 -4.87 115.64 114.52 1snr s THR 57 Ca 0.00 0.45 0.03 0.00 0.31 0.00 0.00 61.69 62.48 1snr s THR 57 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1snr s THR 57 CO 0.00 0.07 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.35 1snr s GLU 58 N -0.43 2.59 0.01 4.92 2.02 -1.26 -0.78 118.70 125.76 1snr s GLU 58 Ca 0.60 -0.72 0.08 0.00 0.02 0.00 0.00 54.97 54.95 1snr s GLU 58 Cb -0.43 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 1snr s GLU 58 CO 0.44 0.60 -0.24 0.08 0.02 0.00 0.00 175.26 176.16 1snr s VAL 59 N -1.06 1.94 -0.98 2.63 1.01 -0.21 -4.95 120.40 118.77 1snr s VAL 59 Ca 0.19 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 1snr s VAL 59 Cb -0.11 -1.63 0.06 0.00 0.00 0.00 0.00 36.38 34.70 1snr s VAL 59 CO 0.09 0.44 1.37 -1.00 0.00 0.00 0.00 175.10 176.01 1snr s HIS 60 N -0.66 2.63 0.49 5.22 3.76 -1.26 -1.03 115.29 124.44 1snr s HIS 60 Ca 0.10 -0.90 -0.20 0.00 -0.15 0.00 0.00 55.06 53.91 1snr s HIS 60 Cb -0.09 -4.61 -0.08 0.00 1.11 0.00 0.00 32.58 28.90 1snr s HIS 60 CO 0.00 -1.86 1.03 0.00 -0.85 0.00 0.00 174.74 173.07 1snr s ALA 61 N 4.56 2.88 -0.31 -1.40 0.00 0.46 -4.83 121.76 123.13 1snr s ALA 61 Ca 0.43 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1snr s ALA 61 Cb -0.02 -3.24 0.09 0.00 0.00 0.00 0.00 23.12 19.96 1snr s ALA 61 CO -0.08 -0.31 0.05 -1.64 0.00 0.00 0.00 175.76 173.77 1snr s MET 62 N -3.31 1.19 -0.24 0.00 -1.94 -0.47 -1.73 119.30 112.79 1snr s MET 62 Ca 0.66 -1.36 0.02 0.00 -1.71 0.00 0.00 55.69 53.30 1snr s MET 62 Cb -0.16 -2.58 0.06 0.00 2.01 0.00 0.00 34.83 34.16 1snr s MET 62 CO 0.21 -0.89 -0.10 0.00 -0.01 0.00 0.00 175.02 174.23 1snr s ALA 63 N 1.30 2.34 0.12 3.03 0.00 -0.40 -2.41 121.76 125.74 1snr s ALA 63 Ca 0.07 -1.57 -0.31 0.00 0.00 0.00 0.00 51.96 50.14 1snr s ALA 63 Cb -0.18 -1.50 -0.11 0.00 0.00 0.00 0.00 23.12 21.33 1snr s ALA 63 CO -0.15 -1.12 1.83 1.19 0.00 0.00 0.00 175.76 177.52 1snr n PHE 64 N 4.53 2.62 -1.42 0.00 3.72 -1.25 -0.90 117.46 124.75 1snr n PHE 64 Ca -0.14 -0.13 -0.15 0.00 -0.05 0.00 0.00 57.45 56.98 1snr n PHE 64 Cb 0.43 -2.73 -0.06 0.00 -0.94 0.00 0.00 39.48 36.19 1snr n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1snr n ASN 65 N 5.57 -5.25 0.00 4.37 5.15 0.11 -2.62 115.26 122.60 1snr n ASN 65 Ca 0.18 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.52 1snr n ASN 65 Cb 0.37 -4.03 0.00 0.00 -0.53 0.00 0.00 39.78 35.59 1snr n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1snr n GLY 66 N -0.53 0.66 3.38 8.20 0.00 -0.97 -4.97 105.19 110.97 1snr n GLY 66 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1snr n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1snr s THR 67 N -2.73 1.98 -0.22 2.61 -4.23 -1.08 -4.97 115.64 107.00 1snr s THR 67 Ca 0.00 -2.20 0.01 0.00 -1.18 0.00 0.00 61.69 58.32 1snr s THR 67 Cb 0.00 -2.07 0.05 0.00 1.34 0.00 0.00 72.50 71.81 1snr s THR 67 CO 0.00 -0.47 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.83 1snr s VAL 68 N -2.61 1.72 1.00 2.29 1.01 -1.26 -2.97 120.40 119.58 1snr s VAL 68 Ca 0.23 -1.15 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 1snr s VAL 68 Cb -0.03 -1.83 0.19 0.00 0.00 0.00 0.00 36.38 34.71 1snr s VAL 68 CO 0.09 0.09 1.12 -2.16 0.00 0.00 0.00 175.10 174.24 1snr s PRO 69 N 1.34 0.42 0.98 2.72 0.04 -1.26 -2.56 135.00 136.68 1snr s PRO 69 Ca -0.03 0.33 -0.11 0.00 0.04 0.00 0.00 61.00 61.23 1snr s PRO 69 Cb -0.17 -1.75 0.18 0.00 0.04 0.00 0.00 34.50 32.79 1snr s PRO 69 CO -0.07 -2.69 1.10 0.20 0.04 0.00 0.00 177.00 175.57 1snr s GLY 70 N -3.74 1.63 0.67 0.56 0.00 -0.09 -4.75 107.32 101.60 1snr s GLY 70 Ca 0.66 0.24 -0.14 0.00 0.00 0.00 0.00 44.72 45.47 1snr s GLY 70 CO 0.56 0.75 1.10 2.56 0.00 0.00 0.00 173.10 178.07 1snr s PRO 71 N -4.66 2.81 -0.07 2.90 0.04 -1.26 -4.45 135.00 130.31 1snr s PRO 71 Ca 0.66 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1snr s PRO 71 Cb -0.22 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1snr s PRO 71 CO 0.60 -1.23 1.06 -1.17 0.04 0.00 0.00 177.00 176.30 1snr s LEU 72 N -5.00 4.28 -0.17 -3.56 2.96 -1.26 -4.32 118.68 111.61 1snr s LEU 72 Ca 0.65 1.65 -0.08 0.00 -0.22 0.00 0.00 54.13 56.12 1snr s LEU 72 Cb -0.19 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1snr s LEU 72 CO 0.44 -0.46 0.11 -0.04 -1.32 0.00 0.00 176.35 175.08 1snr s MET 73 N 1.88 3.89 -0.14 1.98 -1.94 -1.14 -4.54 119.30 119.30 1snr s MET 73 Ca 0.51 -0.23 0.02 0.00 -1.71 0.00 0.00 55.69 54.28 1snr s MET 73 Cb -0.21 -3.28 0.01 0.00 2.01 0.00 0.00 34.83 33.36 1snr s MET 73 CO 0.21 0.44 -0.21 0.08 -0.01 0.00 0.00 175.02 175.53 1snr s VAL 74 N -0.06 1.98 0.37 -6.03 1.01 -1.26 -0.43 120.40 115.98 1snr s VAL 74 Ca 0.09 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1snr s VAL 74 Cb -0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1snr s VAL 74 CO 0.00 0.53 0.22 0.68 0.00 0.00 0.00 175.10 176.53 1snr s VAL 75 N 0.86 0.24 0.22 2.92 -7.23 -0.44 -5.00 120.40 111.97 1snr s VAL 75 Ca -0.06 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.19 1snr s VAL 75 Cb -0.15 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1snr s VAL 75 CO -0.02 0.00 0.00 -1.00 -0.31 0.00 0.00 175.10 173.77 1snr s HIS 76 N -3.33 2.77 0.17 2.82 3.76 -1.26 -0.95 115.29 119.27 1snr s HIS 76 Ca 0.33 -0.18 -0.34 0.00 -0.15 0.00 0.00 55.06 54.72 1snr s HIS 76 Cb 0.02 -1.28 -0.14 0.00 1.11 0.00 0.00 32.58 32.28 1snr s HIS 76 CO 0.22 0.56 1.49 0.94 -0.85 0.00 0.00 174.74 177.11 1snr n GLN 77 N -0.54 1.95 -0.96 1.40 7.27 0.38 -1.36 117.38 125.52 1snr n GLN 77 Ca -0.08 0.70 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1snr n GLN 77 Cb 0.57 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.80 1snr n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1snr n ASP 78 N 2.95 -1.69 -4.68 1.69 10.43 0.17 -4.73 116.55 120.69 1snr n ASP 78 Ca 0.16 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.23 1snr n ASP 78 Cb 0.28 -0.71 0.16 0.00 1.84 0.00 0.00 41.12 42.69 1snr n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1snr s ASP 79 N -2.43 2.93 -0.11 -2.24 -0.00 -0.47 -4.68 116.67 109.68 1snr s ASP 79 Ca 0.00 1.40 -0.02 0.00 -0.00 0.00 0.00 52.55 53.93 1snr s ASP 79 Cb 0.00 -2.08 -0.03 0.00 -0.00 0.00 0.00 42.92 40.81 1snr s ASP 79 CO 0.00 -2.97 -0.01 -0.31 -0.00 0.00 0.00 175.17 171.88 1snr s TYR 80 N -2.90 3.10 -0.26 4.23 1.51 -0.31 -1.13 117.35 121.60 1snr s TYR 80 Ca 0.65 0.05 -0.10 0.00 -1.01 0.00 0.00 57.07 56.66 1snr s TYR 80 Cb -0.19 -1.84 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1snr s TYR 80 CO 0.58 0.31 0.16 -1.17 -1.11 0.00 0.00 175.55 174.32 1snr s LEU 81 N -0.50 3.95 -0.31 -1.29 0.20 -0.17 -0.47 118.68 120.09 1snr s LEU 81 Ca 0.08 0.00 0.02 0.00 0.69 0.00 0.00 54.13 54.93 1snr s LEU 81 Cb -0.12 -2.08 0.07 0.00 -0.43 0.00 0.00 46.19 43.64 1snr s LEU 81 CO 0.02 0.00 -0.01 -0.70 -0.29 0.00 0.00 176.35 175.38 1snr s GLU 82 N 1.43 2.04 -0.19 1.98 2.12 0.02 -1.40 118.70 124.70 1snr s GLU 82 Ca 0.07 -1.54 -0.07 0.00 0.36 0.00 0.00 54.97 53.79 1snr s GLU 82 Cb -0.15 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 1snr s GLU 82 CO 0.07 -0.74 0.06 -1.17 -0.54 0.00 0.00 175.26 172.94 1snr s LEU 83 N 1.08 3.73 -0.33 2.70 2.96 0.23 -1.20 118.68 127.85 1snr s LEU 83 Ca -0.01 0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.76 1snr s LEU 83 Cb -0.20 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 1snr s LEU 83 CO -0.05 0.14 0.44 -0.89 -1.32 0.00 0.00 176.35 174.67 1snr s THR 84 N 0.56 5.09 -0.15 3.68 2.01 0.16 -1.19 115.64 125.80 1snr s THR 84 Ca 0.03 0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.31 1snr s THR 84 Cb -0.13 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1snr s THR 84 CO 0.01 -0.11 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.52 1snr s LEU 85 N 2.21 2.87 -0.11 4.42 2.96 -0.27 -1.05 118.68 129.72 1snr s LEU 85 Ca 0.16 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1snr s LEU 85 Cb -0.16 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.86 1snr s LEU 85 CO 0.12 0.13 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.44 1snr s ILE 86 N 0.59 1.85 -0.48 6.68 1.01 -0.43 -1.49 121.20 128.93 1snr s ILE 86 Ca -0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 1snr s ILE 86 Cb -0.15 -1.63 0.12 0.00 0.01 0.00 0.00 42.46 40.82 1snr s ILE 86 CO 0.03 0.51 0.30 0.21 0.00 0.00 0.00 174.94 175.99 1snr s ASN 87 N 0.60 5.43 0.82 3.58 2.47 -0.24 -1.21 114.94 126.39 1snr s ASN 87 Ca -0.14 -2.15 -0.12 0.00 0.42 0.00 0.00 52.86 50.88 1snr s ASN 87 Cb -0.17 -1.90 0.09 0.00 -1.45 0.00 0.00 41.25 37.82 1snr s ASN 87 CO 0.04 -0.56 1.14 -2.84 -3.72 0.00 0.00 177.10 171.16 1snr s PRO 88 N 0.98 1.72 0.37 0.43 0.02 -1.26 0.10 135.00 137.36 1snr s PRO 88 Ca 0.09 1.48 0.27 0.00 0.02 0.00 0.00 61.00 62.86 1snr s PRO 88 Cb -0.23 -1.81 1.26 0.00 0.02 0.00 0.00 34.50 33.74 1snr s PRO 88 CO -0.03 -2.10 1.81 1.05 -0.33 0.00 0.00 177.00 177.40 1snr h GLU 89 N -1.20 0.00 0.00 5.54 4.11 -1.91 -2.16 114.58 118.96 1snr h GLU 89 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1snr h GLU 89 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1snr h GLU 89 CO 0.47 0.00 0.00 1.79 0.07 0.00 0.00 179.01 181.34 1snr h THR 90 N 0.00 0.00 -4.30 -1.06 1.35 -1.96 -3.45 112.91 103.49 1snr h THR 90 Ca 0.00 -0.45 -0.49 0.00 -0.55 0.00 0.00 66.41 64.92 1snr h THR 90 Cb 0.22 1.36 0.07 0.00 -1.73 0.00 0.00 68.15 68.08 1snr h THR 90 CO 0.00 0.00 0.36 0.20 -0.25 0.00 0.00 175.52 175.83 1snr s ASN 91 N -5.12 5.50 -0.02 5.36 0.01 -0.81 -5.00 114.94 114.87 1snr s ASN 91 Ca 0.04 1.05 0.09 0.00 -0.71 0.00 0.00 52.86 53.32 1snr s ASN 91 Cb 0.09 -1.90 -0.14 0.00 0.41 0.00 0.00 41.25 39.72 1snr s ASN 91 CO 0.51 -1.27 0.18 0.35 -1.51 0.00 0.00 177.10 175.36 1snr n THR 92 N -2.91 0.06 -4.26 1.60 -2.24 -1.26 -4.77 114.28 100.50 1snr n THR 92 Ca 0.06 -0.22 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 1snr n THR 92 Cb 0.57 0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.90 1snr n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1snr s LEU 93 N -3.73 3.01 0.36 3.22 1.43 -1.26 -4.91 118.68 116.81 1snr s LEU 93 Ca -0.03 -0.50 -0.27 0.00 -1.03 0.00 0.00 54.13 52.30 1snr s LEU 93 Cb 0.06 -1.73 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 1snr s LEU 93 CO 0.38 0.13 1.15 -0.32 0.23 0.00 0.00 176.35 177.92 1snr s MET 94 N -2.64 4.26 0.16 1.70 -2.45 -1.26 -4.17 119.30 114.91 1snr s MET 94 Ca 0.24 1.84 0.01 0.00 -1.25 0.00 0.00 55.69 56.52 1snr s MET 94 Cb -0.10 -2.85 -0.04 0.00 1.25 0.00 0.00 34.83 33.09 1snr s MET 94 CO 0.15 -0.14 0.03 -1.01 1.05 0.00 0.00 175.02 175.10 1snr s HIS 95 N -1.34 1.12 0.00 4.11 0.09 -0.86 -4.90 115.29 113.50 1snr s HIS 95 Ca 0.53 -1.10 0.00 0.00 -0.00 0.00 0.00 55.06 54.49 1snr s HIS 95 Cb -0.31 -0.64 0.00 0.00 -0.00 0.00 0.00 32.58 31.63 1snr s HIS 95 CO 0.40 -0.32 0.00 0.27 -0.00 0.00 0.00 174.74 175.09 1snr n ASN 96 N -0.21 0.00 -3.77 1.40 6.94 -1.26 -0.94 115.26 117.43 1snr n ASN 96 Ca -0.06 -0.71 -0.13 0.00 -0.02 0.00 0.00 54.58 53.67 1snr n ASN 96 Cb 0.64 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.93 1snr n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1snr s ILE 97 N -2.53 -0.02 -0.25 1.53 2.07 -1.26 -4.18 121.20 116.56 1snr s ILE 97 Ca 0.00 0.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.31 1snr s ILE 97 Cb 0.00 -0.33 0.03 0.00 0.13 0.00 0.00 42.46 42.29 1snr s ILE 97 CO 0.00 0.03 -0.07 -0.62 -1.91 0.00 0.00 174.94 172.37 1snr s ASP 98 N 0.68 4.28 -0.34 4.50 3.68 0.44 -1.05 116.67 128.87 1snr s ASP 98 Ca -0.05 -0.91 -0.17 0.00 2.13 0.00 0.00 52.55 53.56 1snr s ASP 98 Cb -0.06 -1.65 -0.01 0.00 -1.45 0.00 0.00 42.92 39.75 1snr s ASP 98 CO -0.04 -0.13 0.43 -0.36 0.13 0.00 0.00 175.17 175.21 1snr s PHE 99 N 1.31 3.20 0.64 -5.34 0.40 0.23 -1.22 117.98 117.20 1snr s PHE 99 Ca -0.00 0.12 0.41 0.00 -0.60 0.00 0.00 56.93 56.86 1snr s PHE 99 Cb -0.17 -2.78 2.29 0.00 0.51 0.00 0.00 43.02 42.88 1snr s PHE 99 CO -0.05 -0.46 2.34 0.45 0.70 0.00 0.00 175.22 178.21 1snr h HIS 100 N 8.43 0.00 0.00 0.36 3.86 -1.48 -1.57 115.15 124.75 1snr h HIS 100 Ca -0.29 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1snr h HIS 100 Cb 1.14 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 1snr h HIS 100 CO 0.71 0.00 -0.01 0.00 0.86 0.00 0.00 177.93 179.49 1snr h ALA 101 N 2.00 1.00 -2.12 2.45 0.00 -1.90 -3.47 119.26 117.22 1snr h ALA 101 Ca -0.00 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 1snr h ALA 101 Cb 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1snr h ALA 101 CO 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 179.25 179.08 1snr s ALA 102 N -3.57 3.79 -0.19 0.00 0.00 -0.59 -4.57 121.76 116.63 1snr s ALA 102 Ca 0.02 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1snr s ALA 102 Cb 0.08 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 21.18 1snr s ALA 102 CO 0.57 -0.15 -0.14 0.99 0.00 0.00 0.00 175.76 177.04 1snr s THR 103 N -2.38 1.81 0.00 0.00 2.01 -1.26 -4.70 115.64 111.12 1snr s THR 103 Ca 0.43 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.44 1snr s THR 103 Cb -0.10 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.64 1snr s THR 103 CO 0.36 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 1snr n GLY 104 N 4.65 2.92 4.16 4.40 0.00 -1.26 -4.95 105.19 115.12 1snr n GLY 104 Ca -0.17 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 1snr n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr n ALA 105 N 0.01 -1.99 -3.78 4.61 0.00 -1.26 -0.78 120.51 117.32 1snr n ALA 105 Ca 0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 53.44 52.83 1snr n ALA 105 Cb 0.00 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.35 1snr n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1snr n LEU 106 N -4.50 -2.93 -0.07 0.00 4.77 -1.26 -1.11 117.00 111.91 1snr n LEU 106 Ca -0.31 -0.73 -0.01 0.00 -0.03 0.00 0.00 56.01 54.93 1snr n LEU 106 Cb 0.69 -2.71 -0.00 0.00 -2.33 0.00 0.00 43.42 39.07 1snr n LEU 106 CO 0.81 0.49 -0.01 0.61 -1.33 0.00 0.00 177.39 177.96 1snr n GLY 107 N -1.70 0.41 0.00 -0.72 0.00 0.04 -2.34 105.19 100.89 1snr n GLY 107 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1snr n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1snr n GLY 108 N -1.70 2.32 0.33 -0.02 0.00 -0.27 -0.60 105.19 105.25 1snr n GLY 108 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1snr n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1snr h GLY 109 N 0.00 0.76 2.00 -0.02 0.00 -0.63 -1.79 103.07 103.39 1snr h GLY 109 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1snr h GLY 109 CO 0.00 0.27 0.00 -1.33 0.00 0.00 0.00 176.54 175.48 1snr h GLY 110 N 0.72 0.00 -0.99 4.60 0.00 -1.58 -3.15 103.07 102.66 1snr h GLY 110 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1snr h GLY 110 CO -0.05 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.53 1snr n LEU 111 N -2.82 2.15 -0.23 3.11 4.77 -0.70 -4.69 117.00 118.60 1snr n LEU 111 Ca 0.01 -1.21 0.06 0.00 -0.03 0.00 0.00 56.01 54.84 1snr n LEU 111 Cb 0.26 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1snr n LEU 111 CO 0.24 0.44 0.44 0.35 -1.33 0.00 0.00 177.39 177.54 1snr n THR 112 N 0.62 1.13 -2.18 -5.08 -2.24 -1.05 -4.95 114.28 100.51 1snr n THR 112 Ca 0.08 -1.35 -0.43 0.00 -2.27 0.00 0.00 64.05 60.08 1snr n THR 112 Cb 0.31 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 1snr n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1snr s GLU 113 N -1.70 3.50 -0.14 -0.78 2.02 -1.25 -4.19 118.70 116.15 1snr s GLU 113 Ca 0.19 1.21 0.02 0.00 0.02 0.00 0.00 54.97 56.40 1snr s GLU 113 Cb 0.16 -4.10 0.02 0.00 0.10 0.00 0.00 34.13 30.31 1snr s GLU 113 CO 0.02 -1.66 -0.18 0.96 0.02 0.00 0.00 175.26 174.42 1snr s ILE 114 N 6.00 1.79 0.73 -1.63 -4.36 -0.11 -4.99 121.20 118.63 1snr s ILE 114 Ca 0.70 -0.80 -0.11 0.00 -0.26 0.00 0.00 60.65 60.18 1snr s ILE 114 Cb -0.18 -1.62 0.03 0.00 1.25 0.00 0.00 42.46 41.94 1snr s ILE 114 CO 0.33 0.50 1.08 0.20 0.24 0.00 0.00 174.94 177.29 1snr s ASN 115 N 1.08 5.13 0.18 4.36 0.02 -1.26 -2.03 114.94 122.42 1snr s ASN 115 Ca -0.03 1.31 -0.33 0.00 -1.02 0.00 0.00 52.86 52.79 1snr s ASN 115 Cb -0.14 -2.12 -0.15 0.00 0.02 0.00 0.00 41.25 38.86 1snr s ASN 115 CO -0.05 -1.56 1.36 -2.65 0.02 0.00 0.00 177.10 174.22 1snr n PRO 116 N -3.17 1.68 -0.43 -0.60 -0.02 -1.26 -1.43 135.00 129.77 1snr n PRO 116 Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1snr n PRO 116 Cb 0.56 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1snr n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1snr n GLY 117 N 2.42 0.75 3.52 -1.23 0.00 0.12 -4.74 105.19 106.02 1snr n GLY 117 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1snr n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1snr s GLU 118 N -0.57 1.84 0.18 1.61 2.02 -0.52 -4.92 118.70 118.35 1snr s GLU 118 Ca 0.00 -1.68 0.01 0.00 0.02 0.00 0.00 54.97 53.32 1snr s GLU 118 Cb 0.00 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1snr s GLU 118 CO 0.00 0.34 0.05 -1.59 0.02 0.00 0.00 175.26 174.08 1snr s LYS 119 N -3.55 1.14 0.07 1.61 -2.85 -1.26 -1.08 119.74 113.82 1snr s LYS 119 Ca 0.30 -1.57 -0.17 0.00 -1.00 0.00 0.00 55.97 53.54 1snr s LYS 119 Cb -0.05 -0.06 0.03 0.00 -2.06 0.00 0.00 37.83 35.69 1snr s LYS 119 CO 0.16 -0.24 0.39 -0.08 0.10 0.00 0.00 175.35 175.69 1snr s THR 120 N -3.85 0.07 -0.11 3.79 -1.32 -0.56 -5.01 115.64 108.65 1snr s THR 120 Ca 0.29 -0.55 0.01 0.00 -1.21 0.00 0.00 61.69 60.23 1snr s THR 120 Cb 0.07 -1.04 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 1snr s THR 120 CO 0.07 -0.30 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.43 1snr s ILE 121 N -2.98 1.25 -0.08 5.08 1.01 -1.26 -1.11 121.20 123.11 1snr s ILE 121 Ca -0.02 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1snr s ILE 121 Cb 0.00 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 1snr s ILE 121 CO -0.06 0.40 -0.18 -0.22 0.00 0.00 0.00 174.94 174.88 1snr s LEU 122 N 1.34 2.50 -0.08 2.97 2.96 -0.33 -4.97 118.68 123.07 1snr s LEU 122 Ca -0.01 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1snr s LEU 122 Cb -0.14 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1snr s LEU 122 CO -0.05 0.25 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.38 1snr s ARG 123 N -0.15 2.85 0.05 1.98 3.52 -1.26 -0.60 118.95 125.34 1snr s ARG 123 Ca -0.02 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.71 1snr s ARG 123 Cb -0.14 -2.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 1snr s ARG 123 CO 0.04 0.27 -0.06 -0.59 -0.81 0.00 0.00 175.30 174.15 1snr s PHE 124 N 0.12 0.61 -0.15 5.12 -0.12 -0.49 -4.98 117.98 118.08 1snr s PHE 124 Ca -0.12 -0.66 -0.24 0.00 -0.05 0.00 0.00 56.93 55.86 1snr s PHE 124 Cb -0.16 -0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 1snr s PHE 124 CO 0.07 -0.15 0.78 0.21 -0.05 0.00 0.00 175.22 176.07 1snr s LYS 125 N -2.28 4.31 -1.27 1.99 2.20 -1.26 -1.00 119.74 122.43 1snr s LYS 125 Ca -0.05 0.94 -0.17 0.00 -0.36 0.00 0.00 55.97 56.33 1snr s LYS 125 Cb -0.05 -3.55 0.10 0.00 -1.51 0.00 0.00 37.83 32.82 1snr s LYS 125 CO -0.02 -0.24 1.66 0.00 -0.36 0.00 0.00 175.35 176.38 1snr s ALA 126 N 1.86 3.49 -0.51 3.13 0.00 -0.28 -4.77 121.76 124.68 1snr s ALA 126 Ca 0.37 -3.03 0.24 0.00 0.00 0.00 0.00 51.96 49.55 1snr s ALA 126 Cb -0.17 -4.51 0.55 0.00 0.00 0.00 0.00 23.12 18.99 1snr s ALA 126 CO 0.13 -3.17 1.68 1.79 0.00 0.00 0.00 175.76 176.20 1snr h THR 127 N 5.35 0.00 -3.34 0.00 1.35 -1.85 0.50 112.91 114.92 1snr h THR 127 Ca 0.41 -0.79 -0.61 0.00 -0.55 0.00 0.00 66.41 64.87 1snr h THR 127 Cb 0.87 1.79 -0.34 0.00 -1.73 0.00 0.00 68.15 68.75 1snr h THR 127 CO 1.40 0.00 -0.85 -0.54 -0.25 0.00 0.00 175.52 175.28 1snr s LYS 128 N -3.20 2.45 0.15 4.72 1.02 -1.26 -4.74 119.74 118.88 1snr s LYS 128 Ca 0.08 -0.66 -0.29 0.00 0.02 0.00 0.00 55.97 55.12 1snr s LYS 128 Cb 0.08 -1.94 -0.07 0.00 -0.52 0.00 0.00 37.83 35.38 1snr s LYS 128 CO 0.63 0.07 0.91 -1.25 -0.92 0.00 0.00 175.35 174.79 1snr s PRO 129 N 0.61 4.71 0.00 -1.68 0.04 -1.26 -4.80 135.00 132.61 1snr s PRO 129 Ca -0.14 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1snr s PRO 129 Cb -0.17 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1snr s PRO 129 CO 0.04 0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.86 1snr n GLY 130 N 1.95 -0.49 3.86 0.56 0.00 0.17 -1.88 105.19 109.36 1snr n GLY 130 Ca -0.01 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1snr n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snr s VAL 131 N -1.94 5.18 -0.03 1.61 -7.23 0.71 -0.03 120.40 118.67 1snr s VAL 131 Ca 0.00 0.54 -0.03 0.00 -1.81 0.00 0.00 61.98 60.67 1snr s VAL 131 Cb 0.00 -3.61 0.01 0.00 0.56 0.00 0.00 36.38 33.33 1snr s VAL 131 CO 0.00 0.50 0.08 -0.36 -0.31 0.00 0.00 175.10 175.01 1snr s PHE 132 N -1.17 -0.06 0.49 2.82 0.08 -0.21 -4.47 117.98 115.47 1snr s PHE 132 Ca 0.24 0.15 -0.22 0.00 0.12 0.00 0.00 56.93 57.23 1snr s PHE 132 Cb -0.15 0.01 -0.07 0.00 -0.57 0.00 0.00 43.02 42.24 1snr s PHE 132 CO 0.13 -0.08 1.15 0.08 -0.10 0.00 0.00 175.22 176.40 1snr s VAL 133 N -0.19 3.14 0.10 -0.44 1.01 -1.26 -0.54 120.40 122.22 1snr s VAL 133 Ca -0.02 0.79 0.08 0.00 0.00 0.00 0.00 61.98 62.83 1snr s VAL 133 Cb -0.02 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1snr s VAL 133 CO 0.00 -0.07 -0.19 -0.72 0.00 0.00 0.00 175.10 174.12 1snr s TYR 134 N -1.63 1.69 0.07 5.22 -0.85 -0.71 -1.29 117.35 119.85 1snr s TYR 134 Ca 0.67 -0.43 -0.26 0.00 -0.52 0.00 0.00 57.07 56.52 1snr s TYR 134 Cb -0.27 -0.92 0.08 0.00 0.38 0.00 0.00 41.96 41.23 1snr s TYR 134 CO 0.32 0.19 0.67 -3.38 -1.52 0.00 0.00 175.55 171.82 1snr s HIS 135 N -1.29 -0.55 0.55 -3.49 -3.43 -0.36 -0.81 115.29 105.91 1snr s HIS 135 Ca 0.06 0.58 -0.19 0.00 -0.80 0.00 0.00 55.06 54.71 1snr s HIS 135 Cb -0.09 0.51 -0.06 0.00 -1.43 0.00 0.00 32.58 31.51 1snr s HIS 135 CO 0.04 -0.73 1.11 0.00 -2.00 0.00 0.00 174.74 173.16 1snr n ALA 137 N -1.40 -0.92 -2.33 0.00 0.00 -1.26 -4.51 120.51 110.09 1snr n ALA 137 Ca 0.11 -1.65 -0.42 0.00 0.00 0.00 0.00 53.44 51.47 1snr n ALA 137 Cb 0.51 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1snr n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1snr s PRO 138 N 0.46 4.37 0.12 0.00 0.02 -1.26 -4.86 135.00 133.84 1snr s PRO 138 Ca 0.32 1.86 -0.35 0.00 0.02 0.00 0.00 61.00 62.85 1snr s PRO 138 Cb 0.21 -3.39 -0.16 0.00 0.02 0.00 0.00 34.50 31.19 1snr s PRO 138 CO -0.23 -0.38 1.38 -2.30 -0.33 0.00 0.00 177.00 175.15 1snr n PRO 139 N 4.34 1.43 -0.11 5.54 -0.02 -1.26 -0.98 135.00 143.94 1snr n PRO 139 Ca 0.10 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1snr n PRO 139 Cb 0.45 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1snr n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1snr n GLY 140 N 2.68 2.24 0.83 -1.23 0.00 -1.26 -4.80 105.19 103.64 1snr n GLY 140 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1snr n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1snr n MET 141 N -2.00 0.32 0.45 1.61 2.81 -0.16 -4.98 117.12 115.18 1snr n MET 141 Ca 0.00 -1.80 -0.18 0.00 -1.81 0.00 0.00 57.70 53.91 1snr n MET 141 Cb 0.00 -0.55 -0.09 0.00 -0.71 0.00 0.00 33.22 31.88 1snr n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1snr h VAL 142 N 5.55 0.00 -0.14 2.03 2.07 -1.82 -2.71 116.25 121.23 1snr h VAL 142 Ca -0.09 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1snr h VAL 142 Cb 1.50 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1snr h VAL 142 CO 0.04 0.00 -0.06 1.55 0.02 0.00 0.00 177.57 179.12 1snr h PRO 143 N -1.27 0.21 -0.51 1.57 0.13 -1.92 -2.50 132.00 127.71 1snr h PRO 143 Ca -0.12 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1snr h PRO 143 Cb 0.89 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 1snr h PRO 143 CO 0.20 0.28 0.34 2.35 -0.23 0.00 0.00 178.00 180.94 1snr h TRP 144 N 0.20 0.64 -0.55 1.56 7.01 -1.93 0.37 115.95 123.26 1snr h TRP 144 Ca 0.05 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.94 1snr h TRP 144 Cb 0.24 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 1snr h TRP 144 CO 0.00 0.40 -0.11 0.45 -2.79 0.00 0.00 178.44 176.39 1snr h HIS 145 N 0.69 1.17 -0.31 2.65 3.86 -1.15 -2.22 115.15 119.83 1snr h HIS 145 Ca 0.19 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1snr h HIS 145 Cb -0.08 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 1snr h HIS 145 CO -0.04 1.08 0.06 0.28 0.86 0.00 0.00 177.93 180.17 1snr h VAL 146 N 0.92 1.23 -0.02 2.45 2.07 -1.02 -2.07 116.25 119.80 1snr h VAL 146 Ca 0.14 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1snr h VAL 146 Cb 0.69 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1snr h VAL 146 CO 0.05 0.26 0.00 1.33 0.02 0.00 0.00 177.57 179.23 1snr n VAL 147 N -4.63 0.03 0.56 2.57 0.24 0.08 -1.53 118.33 115.64 1snr n VAL 147 Ca -0.02 -0.06 0.08 0.00 -2.04 0.00 0.00 64.34 62.30 1snr n VAL 147 Cb 0.20 -0.21 0.22 0.00 -1.47 0.00 0.00 33.84 32.59 1snr n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1snr n SER 148 N -0.64 2.47 0.00 -1.34 7.64 -0.83 -4.68 113.62 116.24 1snr n SER 148 Ca 0.17 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 58.07 1snr n SER 148 Cb 0.13 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1snr n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1snr n GLY 149 N 1.24 0.85 2.79 0.23 0.00 -0.58 -1.36 105.19 108.36 1snr n GLY 149 Ca 0.16 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1snr n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1snr n MET 150 N -2.30 3.72 -3.46 1.61 0.00 -0.91 -4.53 117.12 111.23 1snr n MET 150 Ca 0.00 -3.44 -0.13 0.00 0.00 0.00 0.00 57.70 54.12 1snr n MET 150 Cb 0.00 -2.90 -0.03 0.00 0.00 0.00 0.00 33.22 30.29 1snr n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1snr s ASN 151 N 0.92 -0.56 0.00 6.12 2.20 -1.26 -1.74 114.94 120.62 1snr s ASN 151 Ca 0.42 0.13 0.00 0.00 -0.94 0.00 0.00 52.86 52.48 1snr s ASN 151 Cb 0.11 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.93 1snr s ASN 151 CO -0.01 -0.87 0.00 0.61 -2.94 0.00 0.00 177.10 173.88 1snr n GLY 152 N -0.06 3.30 3.38 0.45 0.00 0.01 -0.91 105.19 111.36 1snr n GLY 152 Ca -0.17 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1snr n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr s ALA 153 N -1.00 -0.68 0.23 4.61 0.00 -1.26 -1.73 121.76 121.92 1snr s ALA 153 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 51.96 51.73 1snr s ALA 153 Cb 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1snr s ALA 153 CO 0.00 -0.69 -0.17 0.96 0.00 0.00 0.00 175.76 175.87 1snr s ILE 154 N -3.87 2.01 -0.14 0.00 -4.36 0.30 -2.88 121.20 112.26 1snr s ILE 154 Ca 0.08 -2.27 0.02 0.00 -0.26 0.00 0.00 60.65 58.22 1snr s ILE 154 Cb 0.01 -2.13 0.01 0.00 1.25 0.00 0.00 42.46 41.61 1snr s ILE 154 CO -0.06 -0.52 -0.20 -0.32 0.24 0.00 0.00 174.94 174.08 1snr s MET 155 N -3.57 2.85 -0.47 0.37 -2.45 0.43 -1.05 119.30 115.42 1snr s MET 155 Ca 0.25 -0.79 -0.10 0.00 -1.25 0.00 0.00 55.69 53.80 1snr s MET 155 Cb -0.02 -2.33 0.11 0.00 1.25 0.00 0.00 34.83 33.84 1snr s MET 155 CO 0.10 -0.04 0.34 0.08 1.05 0.00 0.00 175.02 176.55 1snr s VAL 156 N 0.89 4.27 0.46 10.11 1.01 0.95 -1.33 120.40 136.76 1snr s VAL 156 Ca -0.06 -1.71 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 1snr s VAL 156 Cb -0.15 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1snr s VAL 156 CO -0.03 -0.74 1.01 -0.76 0.00 0.00 0.00 175.10 174.58 1snr s LEU 157 N 1.39 3.89 0.60 3.92 1.43 -0.13 -0.66 118.68 129.12 1snr s LEU 157 Ca 0.05 1.84 -0.19 0.00 -1.03 0.00 0.00 54.13 54.80 1snr s LEU 157 Cb -0.26 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.39 1snr s LEU 157 CO -0.00 -0.61 1.28 -2.84 0.23 0.00 0.00 176.35 174.40 1snr s PRO 158 N -3.18 2.84 0.52 1.29 0.02 -1.26 -0.47 135.00 134.76 1snr s PRO 158 Ca 0.65 2.02 0.17 0.00 0.02 0.00 0.00 61.00 63.86 1snr s PRO 158 Cb -0.14 -1.97 1.30 0.00 0.02 0.00 0.00 34.50 33.71 1snr s PRO 158 CO 0.18 -1.36 2.15 0.00 -0.33 0.00 0.00 177.00 177.63 1snr h ARG 159 N 0.89 0.00 -0.66 5.54 3.08 -1.88 -0.82 114.38 120.52 1snr h ARG 159 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1snr h ARG 159 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1snr h ARG 159 CO 0.55 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.84 1snr n GLU 160 N -4.50 3.54 -0.12 0.04 -0.58 -1.26 -0.71 120.64 117.05 1snr n GLU 160 Ca -0.02 -2.24 0.02 0.00 -0.42 0.00 0.00 57.16 54.50 1snr n GLU 160 Cb 0.12 -1.93 -0.00 0.00 -0.57 0.00 0.00 31.44 29.05 1snr n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1snr n GLY 161 N 0.65 -2.06 3.82 0.62 0.00 -0.31 -4.77 105.19 103.13 1snr n GLY 161 Ca 0.20 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 1snr n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1snr s LEU 162 N 0.00 3.84 0.06 0.99 1.43 -1.26 -4.43 118.68 119.31 1snr s LEU 162 Ca 0.00 1.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 1snr s LEU 162 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 1snr s LEU 162 CO 0.00 -0.54 -0.06 -1.00 0.23 0.00 0.00 176.35 174.99 1snr s HIS 163 N -2.23 0.69 0.63 0.29 3.76 -1.26 -1.22 115.29 115.95 1snr s HIS 163 Ca 0.63 -0.78 -0.11 0.00 -0.15 0.00 0.00 55.06 54.65 1snr s HIS 163 Cb -0.11 -0.42 0.14 0.00 1.11 0.00 0.00 32.58 33.30 1snr s HIS 163 CO 0.19 -0.18 0.86 -0.40 -0.85 0.00 0.00 174.74 174.36 1snr n ASP 164 N 0.60 0.07 0.05 1.40 5.68 0.16 -4.82 116.55 119.70 1snr n ASP 164 Ca -0.17 -1.31 0.08 0.00 -0.50 0.00 0.00 54.79 52.88 1snr n ASP 164 Cb 0.58 -0.66 0.34 0.00 -1.14 0.00 0.00 41.12 40.25 1snr n ASP 164 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1snr n GLY 165 N -0.61 -0.99 0.83 6.12 0.00 -1.26 -2.21 105.19 107.08 1snr n GLY 165 Ca 0.11 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1snr n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1snr n LYS 166 N -1.79 2.98 -0.81 1.61 4.01 -1.26 -4.98 118.16 117.91 1snr n LYS 166 Ca 0.02 -2.42 0.00 0.00 -0.51 0.00 0.00 58.31 55.40 1snr n LYS 166 Cb 0.15 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 1snr n LYS 166 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1snr n GLY 167 N 0.22 0.75 3.73 0.72 0.00 -0.94 -5.04 105.19 104.63 1snr n GLY 167 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1snr n GLY 167 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1snr s LYS 168 N -0.19 4.72 0.34 1.61 2.20 -1.26 -4.80 119.74 122.36 1snr s LYS 168 Ca 0.00 1.50 -0.28 0.00 -0.36 0.00 0.00 55.97 56.82 1snr s LYS 168 Cb 0.00 -3.34 -0.12 0.00 -1.51 0.00 0.00 37.83 32.86 1snr s LYS 168 CO 0.00 0.26 1.43 0.00 -0.36 0.00 0.00 175.35 176.68 1snr n ALA 169 N 2.46 1.94 -4.03 3.13 0.00 -1.26 -0.66 120.51 122.09 1snr n ALA 169 Ca 0.01 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 1snr n ALA 169 Cb 0.48 -2.36 -0.16 0.00 0.00 0.00 0.00 19.45 17.42 1snr n ALA 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1snr s LEU 170 N -1.33 2.57 -0.19 0.00 1.43 -0.36 -4.77 118.68 116.03 1snr s LEU 170 Ca 0.56 -1.00 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1snr s LEU 170 Cb -0.52 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1snr s LEU 170 CO 0.60 -0.14 -0.18 -0.89 0.23 0.00 0.00 176.35 175.97 1snr s THR 171 N 1.30 2.18 0.28 5.49 2.01 -1.26 -3.99 115.64 121.65 1snr s THR 171 Ca -0.02 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 1snr s THR 171 Cb -0.17 -1.94 -0.08 0.00 0.01 0.00 0.00 72.50 70.33 1snr s THR 171 CO -0.08 0.50 0.63 -0.72 -0.69 0.00 0.00 174.62 174.27 1snr s TYR 172 N 1.30 3.41 -0.02 4.92 -0.85 -1.26 -4.87 117.35 119.98 1snr s TYR 172 Ca 0.04 0.99 0.01 0.00 -0.52 0.00 0.00 57.07 57.60 1snr s TYR 172 Cb -0.13 -2.36 -0.26 0.00 0.38 0.00 0.00 41.96 39.59 1snr s TYR 172 CO -0.12 0.17 0.76 -0.44 -1.52 0.00 0.00 175.55 174.40 1snr h ASP 173 N 2.28 0.27 -4.88 -0.18 3.32 -0.94 -3.48 116.42 112.80 1snr h ASP 173 Ca -0.47 -0.43 -0.22 0.00 0.02 0.00 0.00 57.03 55.93 1snr h ASP 173 Cb 1.17 -0.09 -0.20 0.00 0.22 0.00 0.00 39.33 40.43 1snr h ASP 173 CO 0.67 1.37 -0.71 -0.54 -1.72 0.00 0.00 179.24 178.31 1snr s LYS 174 N -2.61 0.46 -0.01 3.56 1.02 -0.89 -5.02 119.74 116.24 1snr s LYS 174 Ca -0.09 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.16 1snr s LYS 174 Cb 0.07 -0.08 -0.00 0.00 -0.52 0.00 0.00 37.83 37.30 1snr s LYS 174 CO 0.83 -0.01 -0.08 -1.50 -0.92 0.00 0.00 175.35 173.67 1snr s ILE 175 N -1.71 0.69 0.08 2.17 2.07 -1.26 -1.33 121.20 121.90 1snr s ILE 175 Ca -0.10 -0.35 0.07 0.00 -1.41 0.00 0.00 60.65 58.85 1snr s ILE 175 Cb -0.08 -0.60 -0.03 0.00 0.13 0.00 0.00 42.46 41.88 1snr s ILE 175 CO -0.01 0.21 -0.17 -0.31 -1.91 0.00 0.00 174.94 172.74 1snr s TYR 176 N -0.03 1.50 -0.23 3.50 2.02 -0.44 -4.49 117.35 119.18 1snr s TYR 176 Ca 0.01 -0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1snr s TYR 176 Cb -0.05 -0.84 0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1snr s TYR 176 CO -0.00 0.12 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.53 1snr s TYR 177 N -1.16 3.03 -0.37 2.71 5.04 -0.05 -0.76 117.35 125.78 1snr s TYR 177 Ca 0.03 -1.69 -0.10 0.00 -2.44 0.00 0.00 57.07 52.86 1snr s TYR 177 Cb -0.10 -2.00 0.04 0.00 0.35 0.00 0.00 41.96 40.25 1snr s TYR 177 CO 0.03 -0.77 0.19 0.08 -1.34 0.00 0.00 175.55 173.74 1snr s VAL 178 N 1.28 4.35 -0.22 3.14 1.01 0.36 -4.18 120.40 126.14 1snr s VAL 178 Ca -0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1snr s VAL 178 Cb -0.16 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1snr s VAL 178 CO -0.07 -0.27 0.39 -0.83 0.00 0.00 0.00 175.10 174.33 1snr s GLY 179 N 1.60 2.01 -0.16 4.51 0.00 -1.26 -1.94 107.32 112.08 1snr s GLY 179 Ca 0.01 -0.62 -0.09 0.00 0.00 0.00 0.00 44.72 44.03 1snr s GLY 179 CO 0.05 0.88 0.13 1.85 0.00 0.00 0.00 173.10 176.01 1snr s GLU 180 N 1.57 3.84 -0.07 2.90 2.12 -0.47 -1.74 118.70 126.84 1snr s GLU 180 Ca 0.18 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.35 1snr s GLU 180 Cb -0.15 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1snr s GLU 180 CO 0.08 0.53 -0.12 -1.14 -0.54 0.00 0.00 175.26 174.07 1snr s GLN 181 N -0.30 1.72 -0.18 4.30 2.00 0.46 -4.49 119.66 123.19 1snr s GLN 181 Ca 0.11 -0.41 -0.18 0.00 -2.00 0.00 0.00 55.36 52.89 1snr s GLN 181 Cb -0.11 -1.47 -0.04 0.00 0.80 0.00 0.00 33.01 32.19 1snr s GLN 181 CO 0.01 -0.02 0.49 0.16 -0.50 0.00 0.00 175.29 175.43 1snr s ASP 182 N 0.82 6.57 0.16 6.67 3.84 -1.26 -0.93 116.67 132.54 1snr s ASP 182 Ca -0.12 0.69 0.09 0.00 -0.00 0.00 0.00 52.55 53.21 1snr s ASP 182 Cb -0.15 -2.28 -0.04 0.00 -1.38 0.00 0.00 42.92 39.06 1snr s ASP 182 CO 0.02 -0.11 -0.15 -0.36 -0.00 0.00 0.00 175.17 174.57 1snr s PHE 183 N 1.31 2.55 -0.54 2.11 0.08 -0.27 -4.76 117.98 118.45 1snr s PHE 183 Ca 0.24 -0.26 0.05 0.00 0.12 0.00 0.00 56.93 57.08 1snr s PHE 183 Cb -0.15 -1.28 0.18 0.00 -0.57 0.00 0.00 43.02 41.20 1snr s PHE 183 CO 0.09 0.47 0.45 0.66 -0.10 0.00 0.00 175.22 176.79 1snr n TYR 184 N 0.32 1.06 -3.30 0.36 4.02 -1.26 -0.91 117.16 117.46 1snr n TYR 184 Ca -0.13 -3.78 -0.39 0.00 -0.01 0.00 0.00 57.90 53.60 1snr n TYR 184 Cb 0.55 -0.19 -0.07 0.00 -0.02 0.00 0.00 39.34 39.60 1snr n TYR 184 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1snr s VAL 185 N -0.82 5.13 0.55 -0.72 1.01 -1.26 -4.73 120.40 119.55 1snr s VAL 185 Ca 0.31 0.82 -0.21 0.00 0.00 0.00 0.00 61.98 62.90 1snr s VAL 185 Cb 0.03 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1snr s VAL 185 CO -0.17 0.16 1.28 -2.65 0.00 0.00 0.00 175.10 173.73 1snr n PRO 186 N 5.01 1.55 -4.40 2.72 -0.02 -1.26 -4.89 135.00 133.70 1snr n PRO 186 Ca -0.06 0.57 -0.24 0.00 -2.02 0.00 0.00 63.50 61.75 1snr n PRO 186 Cb 0.50 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 1snr n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1snr s ARG 187 N -2.82 1.87 0.58 -0.52 0.52 -1.26 -1.01 118.95 116.31 1snr s ARG 187 Ca 0.72 -1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1snr s ARG 187 Cb -0.43 -1.92 0.12 0.00 0.52 0.00 0.00 34.95 33.24 1snr s ARG 187 CO 0.49 0.36 0.80 -0.40 0.02 0.00 0.00 175.30 176.57 1snr n ASP 188 N -0.53 0.95 0.28 0.23 5.68 -0.07 -4.83 116.55 118.26 1snr n ASP 188 Ca -0.07 -1.83 0.15 0.00 -0.50 0.00 0.00 54.79 52.54 1snr n ASP 188 Cb 0.59 -0.53 0.80 0.00 -1.14 0.00 0.00 41.12 40.84 1snr n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1snr h GLU 189 N 0.00 0.00 -0.27 0.11 4.39 -2.02 -1.70 114.58 115.08 1snr h GLU 189 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1snr h GLU 189 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1snr h GLU 189 CO 0.27 0.08 0.00 0.09 -1.16 0.00 0.00 179.01 178.29 1snr n ASN 190 N -3.54 1.70 0.00 1.42 5.03 -1.26 -4.93 115.26 113.68 1snr n ASN 190 Ca -0.02 -1.90 0.00 0.00 0.87 0.00 0.00 54.58 53.53 1snr n ASN 190 Cb 0.21 -0.18 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 1snr n ASN 190 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1snr n GLY 191 N 1.05 0.63 3.78 7.41 0.00 -0.64 -5.03 105.19 112.39 1snr n GLY 191 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1snr n GLY 191 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1snr s LYS 192 N -0.06 4.47 0.25 1.61 2.20 -1.26 -4.80 119.74 122.14 1snr s LYS 192 Ca 0.00 1.04 -0.30 0.00 -0.36 0.00 0.00 55.97 56.35 1snr s LYS 192 Cb 0.00 -3.27 -0.10 0.00 -1.51 0.00 0.00 37.83 32.95 1snr s LYS 192 CO 0.00 0.55 1.37 0.71 -0.36 0.00 0.00 175.35 177.62 1snr s TYR 193 N -0.97 3.10 0.35 4.03 1.51 -1.26 -0.89 117.35 123.21 1snr s TYR 193 Ca 0.34 1.16 -0.17 0.00 -1.01 0.00 0.00 57.07 57.40 1snr s TYR 193 Cb -0.22 -3.72 -0.10 0.00 -0.11 0.00 0.00 41.96 37.81 1snr s TYR 193 CO 0.24 -2.26 0.80 0.15 -1.11 0.00 0.00 175.55 173.37 1snr s LYS 194 N -0.59 4.09 0.18 -0.62 1.02 -0.18 -4.87 119.74 118.78 1snr s LYS 194 Ca 0.56 0.82 0.09 0.00 0.02 0.00 0.00 55.97 57.47 1snr s LYS 194 Cb -0.40 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 1snr s LYS 194 CO 0.44 0.12 -0.13 0.15 -0.92 0.00 0.00 175.35 175.00 1snr s LYS 195 N -2.98 1.93 0.04 1.68 1.02 -1.26 -4.73 119.74 115.44 1snr s LYS 195 Ca 0.56 -1.33 -0.01 0.00 0.02 0.00 0.00 55.97 55.21 1snr s LYS 195 Cb -0.10 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 1snr s LYS 195 CO 0.16 0.42 -0.03 0.71 -0.92 0.00 0.00 175.35 175.70 1snr s TYR 196 N -1.71 0.46 -0.55 3.18 2.02 -1.26 -5.07 117.35 114.42 1snr s TYR 196 Ca 0.24 -0.94 0.14 0.00 -0.37 0.00 0.00 57.07 56.14 1snr s TYR 196 Cb -0.09 -0.34 0.44 0.00 -0.40 0.00 0.00 41.96 41.57 1snr s TYR 196 CO 0.14 -0.34 1.36 0.39 -1.57 0.00 0.00 175.55 175.53 1snr n GLU 197 N 0.45 2.96 -3.53 -0.62 -0.58 -1.26 -4.96 120.64 113.09 1snr n GLU 197 Ca -0.16 -2.49 -0.17 0.00 -0.42 0.00 0.00 57.16 53.92 1snr n GLU 197 Cb 0.60 -1.59 -0.06 0.00 -0.57 0.00 0.00 31.44 29.81 1snr n GLU 197 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1snr s ALA 198 N -1.97 -1.79 0.22 0.62 0.00 -1.26 -5.05 121.76 112.53 1snr s ALA 198 Ca 0.34 1.40 -0.09 0.00 0.00 0.00 0.00 51.96 53.61 1snr s ALA 198 Cb 0.24 -0.17 0.20 0.00 0.00 0.00 0.00 23.12 23.39 1snr s ALA 198 CO 0.13 -0.36 1.88 -1.35 0.00 0.00 0.00 175.76 176.06 1snr h PRO 199 N 3.10 1.02 -0.09 0.00 0.11 -1.95 -2.02 132.00 132.17 1snr h PRO 199 Ca -0.26 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1snr h PRO 199 Cb 1.14 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1snr h PRO 199 CO 0.36 0.68 0.02 0.78 -0.21 0.00 0.00 178.00 179.62 1snr h GLY 200 N 1.05 0.12 2.00 -0.55 0.00 -2.00 -2.22 103.07 101.47 1snr h GLY 200 Ca 0.30 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 1snr h GLY 200 CO -0.08 0.05 -0.22 -0.55 0.00 0.00 0.00 176.54 175.74 1snr h ASP 201 N 0.12 0.00 0.77 0.19 3.32 -1.77 -2.75 116.42 116.29 1snr h ASP 201 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1snr h ASP 201 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1snr h ASP 201 CO -0.00 0.22 -0.37 0.00 -1.72 0.00 0.00 179.24 177.36 1snr n ALA 202 N -2.43 3.03 0.26 3.45 0.00 -0.84 -4.59 120.51 119.38 1snr n ALA 202 Ca -0.02 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1snr n ALA 202 Cb 0.29 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 1snr n ALA 202 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1snr h TYR 203 N 0.00 -0.98 -0.42 0.00 5.03 -1.48 -0.62 116.97 118.49 1snr h TYR 203 Ca 0.00 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1snr h TYR 203 Cb 0.57 0.37 -0.02 0.00 1.55 0.00 0.00 36.73 39.20 1snr h TYR 203 CO 0.00 -0.52 0.28 1.49 -1.32 0.00 0.00 178.16 178.08 1snr h GLU 204 N -0.80 0.55 -0.63 1.82 4.81 -1.81 -0.62 114.58 117.90 1snr h GLU 204 Ca -0.04 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1snr h GLU 204 Cb 0.69 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1snr h GLU 204 CO -0.02 0.36 0.09 -0.44 -0.73 0.00 0.00 179.01 178.27 1snr h ASP 205 N 0.56 0.99 -0.47 1.04 3.45 -1.83 -2.71 116.42 117.46 1snr h ASP 205 Ca 0.16 -0.23 -0.11 0.00 0.43 0.00 0.00 57.03 57.27 1snr h ASP 205 Cb -0.05 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.44 1snr h ASP 205 CO -0.04 0.99 -0.14 0.74 -1.57 0.00 0.00 179.24 179.22 1snr h THR 206 N 0.96 1.27 -0.88 0.35 2.02 -0.56 -2.96 112.91 113.11 1snr h THR 206 Ca 0.19 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 66.10 1snr h THR 206 Cb 0.43 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1snr h THR 206 CO 0.01 0.44 0.57 0.58 0.37 0.00 0.00 175.52 177.49 1snr h VAL 207 N 0.76 1.23 -0.75 3.16 2.07 -0.94 0.27 116.25 122.05 1snr h VAL 207 Ca 0.11 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1snr h VAL 207 Cb 0.70 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1snr h VAL 207 CO 0.05 0.23 0.48 0.50 0.02 0.00 0.00 177.57 178.84 1snr h LYS 208 N 1.19 0.90 -0.31 1.57 3.64 -1.34 -1.44 116.57 120.79 1snr h LYS 208 Ca 0.32 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 1snr h LYS 208 Cb -0.12 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 1snr h LYS 208 CO -0.07 0.60 -0.27 0.28 -2.27 0.00 0.00 179.45 177.72 1snr h VAL 209 N 0.93 1.30 -0.85 2.00 2.07 -1.19 -3.13 116.25 117.38 1snr h VAL 209 Ca 0.30 -1.43 0.11 0.00 0.82 0.00 0.00 66.70 66.50 1snr h VAL 209 Cb 0.01 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1snr h VAL 209 CO -0.11 0.46 0.48 0.24 0.02 0.00 0.00 177.57 178.66 1snr h MET 210 N 0.48 0.74 0.00 1.57 2.86 -0.55 -1.72 114.93 118.30 1snr h MET 210 Ca 0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1snr h MET 210 Cb 0.84 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1snr h MET 210 CO 0.07 0.49 0.00 0.00 1.06 0.00 0.00 176.91 178.53 1snr h ARG 211 N 0.76 0.00 0.00 1.72 3.08 -1.21 -0.06 114.38 118.66 1snr h ARG 211 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1snr h ARG 211 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1snr h ARG 211 CO -0.29 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.86 1snr n THR 212 N -2.50 0.65 -1.96 2.04 -2.24 -0.65 -4.90 114.28 104.72 1snr n THR 212 Ca 0.01 0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.68 1snr n THR 212 Cb 0.22 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.55 1snr n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1snr n LEU 213 N -1.84 -1.61 -3.87 3.22 4.77 -0.04 -4.94 117.00 112.71 1snr n LEU 213 Ca 0.04 0.27 -0.30 0.00 -0.03 0.00 0.00 56.01 55.99 1snr n LEU 213 Cb 0.27 -2.76 -0.15 0.00 -2.33 0.00 0.00 43.42 38.45 1snr n LEU 213 CO 0.21 -0.64 -0.34 -0.89 -1.33 0.00 0.00 177.39 174.40 1snr s THR 214 N -2.80 1.51 0.52 -5.08 2.01 -1.26 -5.11 115.64 105.43 1snr s THR 214 Ca 0.00 -1.77 -0.21 0.00 0.31 0.00 0.00 61.69 60.01 1snr s THR 214 Cb 0.00 -2.10 -0.06 0.00 0.01 0.00 0.00 72.50 70.36 1snr s THR 214 CO 0.00 -0.60 1.22 -2.16 -0.69 0.00 0.00 174.62 172.39 1snr s PRO 215 N 1.30 3.37 0.26 4.92 0.04 -1.26 -4.92 135.00 138.72 1snr s PRO 215 Ca 0.09 1.89 0.14 0.00 0.04 0.00 0.00 61.00 63.16 1snr s PRO 215 Cb -0.18 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.18 1snr s PRO 215 CO -0.17 -0.90 1.42 1.79 0.04 0.00 0.00 177.00 179.18 1snr h THR 216 N 1.46 0.93 -3.33 1.26 1.35 -1.38 -3.46 112.91 109.74 1snr h THR 216 Ca -0.50 -2.32 -0.17 0.00 -0.55 0.00 0.00 66.41 62.87 1snr h THR 216 Cb 1.27 2.46 -0.25 0.00 -1.73 0.00 0.00 68.15 69.90 1snr h THR 216 CO 0.58 0.53 -0.50 -1.00 -0.25 0.00 0.00 175.52 174.88 1snr s HIS 217 N -2.94 -0.15 -0.15 4.73 3.76 -1.15 -4.87 115.29 114.52 1snr s HIS 217 Ca 0.04 0.36 -0.02 0.00 -0.15 0.00 0.00 55.06 55.29 1snr s HIS 217 Cb 0.08 0.05 0.05 0.00 1.11 0.00 0.00 32.58 33.86 1snr s HIS 217 CO 0.75 -0.14 0.01 0.08 -0.85 0.00 0.00 174.74 174.59 1snr s VAL 218 N -0.23 0.60 0.09 -0.90 1.01 -0.32 -1.12 120.40 119.52 1snr s VAL 218 Ca -0.03 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1snr s VAL 218 Cb -0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1snr s VAL 218 CO 0.01 0.01 -0.08 0.68 0.00 0.00 0.00 175.10 175.72 1snr s VAL 219 N 1.85 0.73 -0.11 2.92 -7.23 -0.11 -0.62 120.40 117.84 1snr s VAL 219 Ca 0.01 -1.71 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1snr s VAL 219 Cb -0.15 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1snr s VAL 219 CO -0.07 -0.71 0.11 -0.36 -0.31 0.00 0.00 175.10 173.76 1snr s PHE 220 N -2.94 3.48 -1.44 2.82 0.08 -1.26 -0.40 117.98 118.32 1snr s PHE 220 Ca 0.06 0.44 -0.10 0.00 0.12 0.00 0.00 56.93 57.45 1snr s PHE 220 Cb 0.01 -1.90 0.06 0.00 -0.57 0.00 0.00 43.02 40.62 1snr s PHE 220 CO -0.03 0.67 0.72 -1.71 -0.10 0.00 0.00 175.22 174.77 1snr n ASN 221 N 1.97 -4.69 0.00 1.36 2.85 -0.71 -3.10 115.26 112.94 1snr n ASN 221 Ca -0.19 -0.52 0.00 0.00 -0.11 0.00 0.00 54.58 53.75 1snr n ASN 221 Cb 0.55 -3.80 0.00 0.00 1.24 0.00 0.00 39.78 37.77 1snr n ASN 221 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1snr n GLY 222 N -1.46 1.47 3.51 8.20 0.00 -1.06 -4.78 105.19 111.08 1snr n GLY 222 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1snr n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr s ALA 223 N -3.17 -1.77 0.17 4.61 0.00 -1.18 -4.58 121.76 115.84 1snr s ALA 223 Ca 0.00 1.24 -0.34 0.00 0.00 0.00 0.00 51.96 52.87 1snr s ALA 223 Cb 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 23.12 23.00 1snr s ALA 223 CO 0.00 -0.42 1.49 0.28 0.00 0.00 0.00 175.76 177.11 1snr n VAL 224 N 0.69 0.25 -0.95 0.00 0.31 0.50 -1.67 118.33 117.46 1snr n VAL 224 Ca -0.17 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1snr n VAL 224 Cb 0.58 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1snr n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1snr n GLY 225 N 2.94 0.38 0.14 2.92 0.00 -1.26 -4.82 105.19 105.49 1snr n GLY 225 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1snr n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr h ALA 226 N 0.00 0.26 -0.74 4.61 0.00 -1.53 -2.82 119.26 119.05 1snr h ALA 226 Ca 0.00 0.09 -0.62 0.00 0.00 0.00 0.00 54.91 54.38 1snr h ALA 226 Cb 0.29 0.15 -0.21 0.00 0.00 0.00 0.00 17.79 18.01 1snr h ALA 226 CO 0.00 -0.41 0.75 1.28 0.00 0.00 0.00 179.25 180.87 1snr n LEU 227 N -5.17 6.97 -4.24 0.00 4.77 -1.26 -4.45 117.00 113.61 1snr n LEU 227 Ca 0.00 -4.43 -0.14 0.00 -0.03 0.00 0.00 56.01 51.41 1snr n LEU 227 Cb 0.16 -1.17 -0.10 0.00 -2.33 0.00 0.00 43.42 39.97 1snr n LEU 227 CO 0.23 1.77 -0.30 0.42 -1.33 0.00 0.00 177.39 178.17 1snr s THR 228 N -3.34 0.52 0.00 -5.08 -4.23 -1.07 -0.88 115.64 101.55 1snr s THR 228 Ca 0.56 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1snr s THR 228 Cb 0.39 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1snr s THR 228 CO -0.29 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1snr n GLY 229 N -0.28 2.87 0.32 3.99 0.00 -1.26 -1.25 105.19 109.59 1snr n GLY 229 Ca -0.04 0.26 0.18 0.00 0.00 0.00 0.00 46.02 46.41 1snr n GLY 229 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1snr h ASP 230 N 0.00 0.00 -0.09 1.61 2.03 -1.96 -2.32 116.42 115.69 1snr h ASP 230 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1snr h ASP 230 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1snr h ASP 230 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1snr n LYS 231 N -3.57 1.93 -1.74 4.15 5.02 -0.38 -5.02 118.16 118.56 1snr n LYS 231 Ca -0.01 -2.59 -0.41 0.00 -2.02 0.00 0.00 58.31 53.28 1snr n LYS 231 Cb 0.19 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1snr n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1snr n ALA 232 N -1.04 1.83 -1.70 7.82 0.00 -0.88 -3.89 120.51 122.65 1snr n ALA 232 Ca 0.17 0.31 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 1snr n ALA 232 Cb 0.69 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.80 1snr n ALA 232 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1snr s MET 233 N -2.15 3.42 0.10 0.00 -1.94 -0.23 -4.84 119.30 113.67 1snr s MET 233 Ca 0.57 1.09 0.05 0.00 -1.71 0.00 0.00 55.69 55.69 1snr s MET 233 Cb -0.50 -2.05 -0.03 0.00 2.01 0.00 0.00 34.83 34.26 1snr s MET 233 CO 0.61 -0.72 -0.14 0.95 -0.01 0.00 0.00 175.02 175.71 1snr s THR 234 N -2.62 1.23 0.40 2.05 -4.23 -1.26 -0.56 115.64 110.65 1snr s THR 234 Ca 0.61 -1.59 -0.15 0.00 -1.18 0.00 0.00 61.69 59.39 1snr s THR 234 Cb -0.14 -1.38 0.06 0.00 1.34 0.00 0.00 72.50 72.38 1snr s THR 234 CO 0.39 -0.37 0.79 0.00 -0.54 0.00 0.00 174.62 174.90 1snr s ALA 235 N -1.90 -0.64 0.10 3.99 0.00 -0.94 -4.94 121.76 117.42 1snr s ALA 235 Ca 0.05 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1snr s ALA 235 Cb -0.06 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1snr s ALA 235 CO 0.02 -0.98 -0.12 0.00 0.00 0.00 0.00 175.76 174.68 1snr s ALA 236 N -2.11 1.25 0.17 0.00 0.00 -1.26 -1.70 121.76 118.11 1snr s ALA 236 Ca 0.16 -1.16 -0.33 0.00 0.00 0.00 0.00 51.96 50.63 1snr s ALA 236 Cb -0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 23.12 22.89 1snr s ALA 236 CO 0.12 0.07 1.47 0.28 0.00 0.00 0.00 175.76 177.70 1snr n VAL 237 N 0.77 0.34 0.00 0.00 0.31 -0.09 -1.08 118.33 118.58 1snr n VAL 237 Ca -0.17 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1snr n VAL 237 Cb 0.56 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1snr n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1snr n GLY 238 N 2.82 2.49 3.75 2.92 0.00 0.30 -4.98 105.19 112.50 1snr n GLY 238 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1snr n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1snr s GLU 239 N -0.75 4.85 -0.23 1.61 2.12 -0.24 -4.78 118.70 121.27 1snr s GLU 239 Ca 0.00 1.51 -0.13 0.00 0.36 0.00 0.00 54.97 56.71 1snr s GLU 239 Cb 0.00 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 1snr s GLU 239 CO 0.00 0.50 0.25 0.15 -0.54 0.00 0.00 175.26 175.62 1snr s LYS 240 N -1.20 4.10 -0.05 4.30 1.02 -1.26 -1.57 119.74 125.08 1snr s LYS 240 Ca 0.41 -0.10 0.04 0.00 0.02 0.00 0.00 55.97 56.34 1snr s LYS 240 Cb -0.26 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.50 1snr s LYS 240 CO 0.32 -0.00 -0.16 0.08 -0.92 0.00 0.00 175.35 174.67 1snr s VAL 241 N 1.23 1.39 -0.22 3.17 1.01 0.09 -0.16 120.40 126.91 1snr s VAL 241 Ca 0.12 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1snr s VAL 241 Cb -0.14 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1snr s VAL 241 CO 0.06 0.41 0.11 -0.22 0.00 0.00 0.00 175.10 175.46 1snr s LEU 242 N 0.22 3.90 -0.32 3.92 2.96 -0.45 -1.26 118.68 127.65 1snr s LEU 242 Ca -0.08 0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1snr s LEU 242 Cb -0.13 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.57 1snr s LEU 242 CO 0.03 0.08 0.06 -0.63 -1.32 0.00 0.00 176.35 174.57 1snr s ILE 243 N 0.94 3.47 -0.02 6.68 1.01 0.52 -1.32 121.20 132.49 1snr s ILE 243 Ca 0.06 -1.19 -0.21 0.00 0.00 0.00 0.00 60.65 59.31 1snr s ILE 243 Cb -0.13 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1snr s ILE 243 CO 0.03 -0.12 0.60 -0.69 0.00 0.00 0.00 174.94 174.76 1snr s VAL 244 N 1.35 4.94 -0.04 2.92 1.01 0.06 -1.42 120.40 129.22 1snr s VAL 244 Ca -0.03 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.22 1snr s VAL 244 Cb -0.19 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1snr s VAL 244 CO 0.01 0.39 -0.05 -2.28 0.00 0.00 0.00 175.10 173.17 1snr s HIS 245 N -0.04 0.75 0.17 5.22 2.46 -0.20 -0.49 115.29 123.16 1snr s HIS 245 Ca 0.31 -0.20 0.07 0.00 0.47 0.00 0.00 55.06 55.72 1snr s HIS 245 Cb -0.18 -0.63 -0.04 0.00 -0.13 0.00 0.00 32.58 31.60 1snr s HIS 245 CO 0.17 -0.16 -0.15 -1.54 -2.47 0.00 0.00 174.74 170.59 1snr s SER 246 N 0.68 2.39 -0.25 9.88 1.04 -0.82 -0.80 113.70 125.83 1snr s SER 246 Ca -0.09 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.39 1snr s SER 246 Cb -0.12 -0.11 0.14 0.00 0.10 0.00 0.00 66.02 66.02 1snr s SER 246 CO 0.00 -0.14 0.41 -1.58 0.98 0.00 0.00 173.24 172.91 1snr s GLN 247 N -3.17 0.38 0.17 4.02 -0.44 -0.81 -1.36 119.66 118.44 1snr s GLN 247 Ca 0.17 0.60 0.26 0.00 -2.50 0.00 0.00 55.36 53.89 1snr s GLN 247 Cb -0.03 -0.34 0.91 0.00 -1.64 0.00 0.00 33.01 31.91 1snr s GLN 247 CO 0.05 -0.63 1.80 0.00 0.50 0.00 0.00 175.29 177.01 1snr n ALA 248 N 5.37 2.26 0.00 1.58 0.00 -1.26 -0.43 120.51 128.03 1snr n ALA 248 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1snr n ALA 248 Cb 0.50 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1snr n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1snr n ASN 249 N -2.09 1.94 -3.77 0.00 5.15 -1.26 -3.04 115.26 112.19 1snr n ASN 249 Ca 0.06 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.91 1snr n ASN 249 Cb 0.40 0.36 -0.09 0.00 -0.53 0.00 0.00 39.78 39.91 1snr n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1snr s ARG 250 N -0.88 0.57 0.69 1.20 3.52 -1.26 -4.69 118.95 118.09 1snr s ARG 250 Ca 0.00 0.01 -0.17 0.00 -0.13 0.00 0.00 55.73 55.44 1snr s ARG 250 Cb 0.00 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.66 1snr s ARG 250 CO 0.00 -0.14 1.27 -0.51 -0.81 0.00 0.00 175.30 175.12 1snr s ASP 251 N -0.85 4.36 0.15 -2.12 -0.00 -1.26 -3.48 116.67 113.47 1snr s ASP 251 Ca -0.09 2.56 -0.04 0.00 -0.00 0.00 0.00 52.55 54.98 1snr s ASP 251 Cb -0.04 -2.61 -0.03 0.00 -0.00 0.00 0.00 42.92 40.24 1snr s ASP 251 CO 0.03 -2.16 0.15 0.28 -0.00 0.00 0.00 175.17 173.46 1snr s THR 252 N -1.58 0.08 -0.41 -1.27 -1.32 -0.46 -4.84 115.64 105.86 1snr s THR 252 Ca 0.80 -1.71 0.04 0.00 -1.21 0.00 0.00 61.69 59.61 1snr s THR 252 Cb -0.35 -1.98 0.17 0.00 -1.51 0.00 0.00 72.50 68.82 1snr s THR 252 CO 0.42 -0.38 0.33 0.00 -2.21 0.00 0.00 174.62 172.78 1snr s ARG 253 N -4.02 0.88 0.58 7.08 1.70 -1.26 -1.27 118.95 122.65 1snr s ARG 253 Ca 0.22 -2.06 -0.19 0.00 -0.47 0.00 0.00 55.73 53.23 1snr s ARG 253 Cb 0.06 -1.41 -0.04 0.00 -0.57 0.00 0.00 34.95 32.98 1snr s ARG 253 CO 0.01 -1.37 1.21 -2.14 -1.08 0.00 0.00 175.30 171.93 1snr s PRO 254 N 0.13 3.03 -0.21 3.89 0.02 -1.05 -0.63 135.00 140.18 1snr s PRO 254 Ca 0.32 1.84 -0.14 0.00 0.02 0.00 0.00 61.00 63.03 1snr s PRO 254 Cb 0.02 -1.97 0.06 0.00 0.02 0.00 0.00 34.50 32.63 1snr s PRO 254 CO -0.18 -1.16 0.53 -1.58 -0.33 0.00 0.00 177.00 174.27 1snr s HIS 255 N -1.58 -0.72 -0.45 6.54 2.46 -0.14 -1.51 115.29 119.89 1snr s HIS 255 Ca 0.76 1.57 -0.16 0.00 0.47 0.00 0.00 55.06 57.71 1snr s HIS 255 Cb -0.31 0.34 0.05 0.00 -0.13 0.00 0.00 32.58 32.53 1snr s HIS 255 CO 0.34 -0.37 0.38 -1.17 -2.47 0.00 0.00 174.74 171.44 1snr s LEU 256 N 1.06 5.32 -0.20 8.88 2.96 -1.26 -0.88 118.68 134.56 1snr s LEU 256 Ca -0.06 -1.08 -0.29 0.00 -0.22 0.00 0.00 54.13 52.48 1snr s LEU 256 Cb -0.06 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 1snr s LEU 256 CO -0.10 -0.58 1.51 -0.63 -1.32 0.00 0.00 176.35 175.23 1snr s ILE 257 N 1.76 3.85 0.00 6.68 1.01 0.86 -1.09 121.20 134.27 1snr s ILE 257 Ca 0.06 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1snr s ILE 257 Cb -0.21 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1snr s ILE 257 CO 0.09 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.37 1snr n GLY 258 N 4.35 0.64 0.00 6.18 0.00 -1.26 -3.76 105.19 111.33 1snr n GLY 258 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1snr n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1snr n GLY 259 N -2.00 6.46 3.51 -0.02 0.00 -0.25 -5.00 105.19 107.89 1snr n GLY 259 Ca 0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 1snr n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1snr s HIS 260 N 0.55 0.63 -0.54 1.61 0.09 -1.26 -4.73 115.29 111.64 1snr s HIS 260 Ca 0.00 -0.95 -0.14 0.00 -0.00 0.00 0.00 55.06 53.97 1snr s HIS 260 Cb 0.00 0.03 0.13 0.00 -0.00 0.00 0.00 32.58 32.74 1snr s HIS 260 CO 0.00 -0.98 0.48 0.20 -0.00 0.00 0.00 174.74 174.43 1snr s GLY 261 N -3.09 2.12 0.17 -2.22 0.00 -0.25 -4.73 107.32 99.33 1snr s GLY 261 Ca 0.27 -2.60 -0.13 0.00 0.00 0.00 0.00 44.72 42.26 1snr s GLY 261 CO 0.12 1.18 1.77 -0.55 0.00 0.00 0.00 173.10 175.62 1snr h ASP 262 N 8.69 0.75 -3.42 1.64 3.32 -1.36 -0.41 116.42 125.63 1snr h ASP 262 Ca -0.25 -0.12 -0.48 0.00 0.02 0.00 0.00 57.03 56.20 1snr h ASP 262 Cb 1.09 -0.19 -0.34 0.00 0.22 0.00 0.00 39.33 40.11 1snr h ASP 262 CO 0.97 0.65 -0.80 -0.31 -1.72 0.00 0.00 179.24 178.04 1snr s TYR 263 N -5.76 1.23 -0.12 4.55 1.51 -0.93 -1.80 117.35 116.03 1snr s TYR 263 Ca -0.13 -0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1snr s TYR 263 Cb 0.13 -0.95 0.03 0.00 -0.11 0.00 0.00 41.96 41.06 1snr s TYR 263 CO 0.78 -0.26 -0.04 0.08 -1.11 0.00 0.00 175.55 174.99 1snr s VAL 264 N 0.82 0.83 -1.15 0.71 1.01 0.56 -0.35 120.40 122.83 1snr s VAL 264 Ca -0.12 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 1snr s VAL 264 Cb -0.15 -0.96 0.13 0.00 0.00 0.00 0.00 36.38 35.39 1snr s VAL 264 CO 0.02 0.24 1.44 0.26 0.00 0.00 0.00 175.10 177.05 1snr s TRP 265 N 1.77 3.16 0.35 5.22 0.51 0.05 -0.63 118.94 129.37 1snr s TRP 265 Ca 0.04 -1.73 0.08 0.00 -2.12 0.00 0.00 56.10 52.37 1snr s TRP 265 Cb -0.13 -4.45 0.65 0.00 -0.81 0.00 0.00 33.47 28.73 1snr s TRP 265 CO -0.07 -1.57 1.83 0.00 -0.51 0.00 0.00 176.95 176.63 1snr h ALA 266 N 7.88 1.35 -0.00 0.98 0.00 -1.90 0.35 119.26 127.92 1snr h ALA 266 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1snr h ALA 266 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1snr h ALA 266 CO 1.28 0.45 -0.06 0.25 0.00 0.00 0.00 179.25 181.18 1snr n THR 267 N -4.17 0.00 -0.96 0.00 -2.24 -1.26 -4.54 114.28 101.10 1snr n THR 267 Ca -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1snr n THR 267 Cb 0.35 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1snr n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1snr n GLY 268 N 1.41 0.93 3.40 3.38 0.00 0.08 -4.76 105.19 109.63 1snr n GLY 268 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1snr n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snr s LYS 269 N -0.04 3.52 0.34 1.61 -0.14 -1.26 -0.21 119.74 123.57 1snr s LYS 269 Ca 0.00 -0.57 0.26 0.00 -1.36 0.00 0.00 55.97 54.30 1snr s LYS 269 Cb 0.00 -3.02 0.81 0.00 -1.68 0.00 0.00 37.83 33.94 1snr s LYS 269 CO 0.00 -0.04 1.75 0.74 -0.76 0.00 0.00 175.35 177.05 1snr h PHE 270 N 7.62 0.00 -0.00 3.18 0.05 -1.74 -2.20 116.94 123.85 1snr h PHE 270 Ca -0.37 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.42 1snr h PHE 270 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.13 1snr h PHE 270 CO 0.58 0.00 -0.09 0.09 -0.18 0.00 0.00 178.31 178.72 1snr n ASN 271 N -2.63 0.15 -4.60 2.17 3.02 -1.26 -4.60 115.26 107.51 1snr n ASN 271 Ca 0.04 0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 1snr n ASN 271 Cb 0.40 -0.28 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 1snr n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1snr s THR 272 N -2.81 5.03 0.44 3.41 2.01 -0.83 -5.04 115.64 117.84 1snr s THR 272 Ca 0.19 0.74 -0.25 0.00 0.31 0.00 0.00 61.69 62.68 1snr s THR 272 Cb 0.19 -3.89 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 1snr s THR 272 CO 0.53 -0.03 1.25 -2.65 -0.69 0.00 0.00 174.62 173.03 1snr n PRO 273 N 5.65 1.85 -2.42 4.92 -0.02 -1.26 -4.83 135.00 138.90 1snr n PRO 273 Ca -0.04 0.66 -0.36 0.00 -2.02 0.00 0.00 63.50 61.75 1snr n PRO 273 Cb 0.49 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 1snr n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1snr s PRO 274 N -2.26 3.85 0.69 0.52 0.04 -1.26 -4.92 135.00 131.65 1snr s PRO 274 Ca 0.62 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 63.10 1snr s PRO 274 Cb -0.50 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 31.73 1snr s PRO 274 CO 0.57 -0.43 1.09 -0.51 0.04 0.00 0.00 177.00 177.76 1snr s ASP 275 N -1.62 5.03 0.13 6.66 1.01 0.20 -4.76 116.67 123.32 1snr s ASP 275 Ca 0.64 1.88 0.07 0.00 0.71 0.00 0.00 52.55 55.84 1snr s ASP 275 Cb -0.23 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 1snr s ASP 275 CO 0.28 -1.68 -0.16 0.68 0.21 0.00 0.00 175.17 174.50 1snr s VAL 276 N -2.61 1.50 -1.58 -1.27 -7.23 -1.26 -0.32 120.40 107.63 1snr s VAL 276 Ca 0.64 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 59.01 1snr s VAL 276 Cb -0.18 -1.62 0.01 0.00 0.56 0.00 0.00 36.38 35.15 1snr s VAL 276 CO 0.47 -0.36 0.57 0.47 -0.31 0.00 0.00 175.10 175.94 1snr n ASP 277 N 0.51 -6.14 -4.76 4.85 10.43 -0.74 -4.93 116.55 115.77 1snr n ASP 277 Ca -0.15 -0.27 -0.39 0.00 2.57 0.00 0.00 54.79 56.55 1snr n ASP 277 Cb 0.57 -4.97 -0.04 0.00 1.84 0.00 0.00 41.12 38.52 1snr n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1snr s GLN 278 N -5.66 4.49 -0.20 -1.24 -1.52 -0.18 -4.84 119.66 110.52 1snr s GLN 278 Ca 0.28 1.75 -0.23 0.00 -1.95 0.00 0.00 55.36 55.22 1snr s GLN 278 Cb -0.12 -3.02 -0.20 0.00 -0.22 0.00 0.00 33.01 29.45 1snr s GLN 278 CO 0.35 0.09 0.30 1.05 -0.25 0.00 0.00 175.29 176.83 1snr h GLU 279 N 3.45 0.00 -3.32 2.91 4.11 -1.91 -0.64 114.58 119.18 1snr h GLU 279 Ca -0.47 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.72 1snr h GLU 279 Cb 1.21 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.15 1snr h GLU 279 CO 0.66 0.98 -0.61 0.99 0.07 0.00 0.00 179.01 181.10 1snr s THR 280 N -2.33 -0.04 0.48 -1.06 2.01 -1.26 -4.33 115.64 109.10 1snr s THR 280 Ca -0.27 0.15 0.05 0.00 0.31 0.00 0.00 61.69 61.93 1snr s THR 280 Cb 0.04 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.33 1snr s THR 280 CO 0.60 0.06 0.20 -1.66 -0.69 0.00 0.00 174.62 173.14 1snr s TRP 281 N 0.95 2.11 -0.05 4.92 -2.14 -0.57 -4.97 118.94 119.19 1snr s TRP 281 Ca -0.07 -0.76 0.00 0.00 2.66 0.00 0.00 56.10 57.93 1snr s TRP 281 Cb -0.10 -1.86 0.02 0.00 -3.10 0.00 0.00 33.47 28.44 1snr s TRP 281 CO -0.05 -0.01 -0.03 0.12 -2.66 0.00 0.00 176.95 174.33 1snr s PHE 282 N -2.73 0.67 -0.18 1.66 5.36 -1.26 -2.52 117.98 118.99 1snr s PHE 282 Ca 0.30 -0.17 0.01 0.00 -0.96 0.00 0.00 56.93 56.10 1snr s PHE 282 Cb 0.02 -0.66 0.04 0.00 -0.34 0.00 0.00 43.02 42.07 1snr s PHE 282 CO 0.17 -0.21 -0.11 0.42 -1.46 0.00 0.00 175.22 174.03 1snr s ILE 283 N 1.15 1.58 0.54 3.12 1.01 -0.40 -4.73 121.20 123.48 1snr s ILE 283 Ca -0.07 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 1snr s ILE 283 Cb -0.14 -1.61 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 1snr s ILE 283 CO -0.01 0.26 1.09 -2.16 0.00 0.00 0.00 174.94 174.12 1snr s PRO 284 N 1.44 3.46 0.20 2.79 0.04 -1.26 -1.35 135.00 140.32 1snr s PRO 284 Ca 0.01 1.46 -0.32 0.00 0.04 0.00 0.00 61.00 62.18 1snr s PRO 284 Cb -0.15 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.21 1snr s PRO 284 CO -0.09 -0.73 1.29 0.41 0.04 0.00 0.00 177.00 177.92 1snr n GLY 285 N -0.18 0.41 0.99 0.56 0.00 -1.23 -1.96 105.19 103.78 1snr n GLY 285 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1snr n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1snr n GLY 286 N 2.15 0.71 3.27 -0.02 0.00 0.43 -4.75 105.19 106.98 1snr n GLY 286 Ca 0.14 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 1snr n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr s ALA 287 N -2.00 0.31 0.17 4.61 0.00 -0.83 -4.75 121.76 119.28 1snr s ALA 287 Ca 0.00 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 50.96 1snr s ALA 287 Cb 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1snr s ALA 287 CO 0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 175.76 175.00 1snr s ALA 288 N -4.00 2.74 0.25 0.00 0.00 -1.26 -1.92 121.76 117.57 1snr s ALA 288 Ca 0.20 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1snr s ALA 288 Cb 0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 1snr s ALA 288 CO 0.01 0.48 0.11 0.20 0.00 0.00 0.00 175.76 176.56 1snr s GLY 289 N -2.64 1.72 -0.08 0.00 0.00 0.02 -3.08 107.32 103.26 1snr s GLY 289 Ca 0.22 -1.82 -0.07 0.00 0.00 0.00 0.00 44.72 43.06 1snr s GLY 289 CO 0.12 -1.55 0.21 0.00 0.00 0.00 0.00 173.10 171.88 1snr s ALA 290 N -3.82 -0.50 -0.02 3.20 0.00 -1.00 -1.04 121.76 118.58 1snr s ALA 290 Ca 0.38 0.61 0.05 0.00 0.00 0.00 0.00 51.96 53.00 1snr s ALA 290 Cb 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1snr s ALA 290 CO 0.14 -0.11 -0.17 0.00 0.00 0.00 0.00 175.76 175.63 1snr s ALA 291 N 0.24 1.42 -0.14 0.00 0.00 -0.51 -0.77 121.76 122.00 1snr s ALA 291 Ca -0.01 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 1snr s ALA 291 Cb -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1snr s ALA 291 CO -0.01 0.32 -0.13 0.12 0.00 0.00 0.00 175.76 176.06 1snr s PHE 292 N -0.24 2.81 -0.01 0.00 2.19 0.52 -0.35 117.98 122.90 1snr s PHE 292 Ca 0.03 -0.74 -0.02 0.00 0.33 0.00 0.00 56.93 56.53 1snr s PHE 292 Cb -0.08 -1.86 -0.00 0.00 -1.31 0.00 0.00 43.02 39.76 1snr s PHE 292 CO 0.00 -0.28 0.04 -0.47 1.83 0.00 0.00 175.22 176.34 1snr s TYR 293 N 0.50 0.02 -0.30 10.12 5.04 -0.39 -1.00 117.35 131.33 1snr s TYR 293 Ca -0.09 -0.02 -0.08 0.00 -2.44 0.00 0.00 57.07 54.44 1snr s TYR 293 Cb -0.16 -0.03 -0.00 0.00 0.35 0.00 0.00 41.96 42.12 1snr s TYR 293 CO 0.04 -0.08 0.12 0.99 -1.34 0.00 0.00 175.55 175.28 1snr s THR 294 N -0.40 4.33 0.29 4.34 2.01 -1.26 -0.73 115.64 124.22 1snr s THR 294 Ca -0.05 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1snr s THR 294 Cb -0.03 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.18 1snr s THR 294 CO -0.00 0.09 1.39 -0.36 -0.69 0.00 0.00 174.62 175.06 1snr s PHE 295 N 1.57 2.99 0.00 4.92 0.40 -0.61 -4.89 117.98 122.37 1snr s PHE 295 Ca 0.04 1.19 0.00 0.00 -0.60 0.00 0.00 56.93 57.56 1snr s PHE 295 Cb -0.17 -3.78 0.00 0.00 0.51 0.00 0.00 43.02 39.58 1snr s PHE 295 CO 0.04 -2.38 0.02 1.04 0.70 0.00 0.00 175.22 174.65 1snr n GLN 296 N 1.61 5.82 -4.12 0.44 6.02 -1.26 -0.54 117.38 125.36 1snr n GLN 296 Ca 0.04 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.86 1snr n GLN 296 Cb 0.41 -0.47 -0.14 0.00 1.02 0.00 0.00 30.24 31.06 1snr n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1snr s GLN 297 N -0.84 0.43 0.84 -1.09 -1.52 -1.26 -4.59 119.66 111.63 1snr s GLN 297 Ca 0.00 -0.34 -0.13 0.00 -1.95 0.00 0.00 55.36 52.94 1snr s GLN 297 Cb 0.00 -0.35 0.11 0.00 -0.22 0.00 0.00 33.01 32.55 1snr s GLN 297 CO 0.00 0.09 1.20 -1.25 -0.25 0.00 0.00 175.29 175.08 1snr s PRO 298 N -0.54 1.64 0.00 2.91 0.04 -1.26 -4.76 135.00 133.03 1snr s PRO 298 Ca -0.02 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1snr s PRO 298 Cb -0.04 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1snr s PRO 298 CO -0.00 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.67 1snr n GLY 299 N -3.40 -0.41 3.75 0.56 0.00 0.46 -4.93 105.19 101.22 1snr n GLY 299 Ca 0.10 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 1snr n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1snr s ILE 300 N -0.19 4.76 0.15 -0.61 1.01 -1.26 -1.29 121.20 123.77 1snr s ILE 300 Ca 0.00 1.56 0.10 0.00 0.00 0.00 0.00 60.65 62.31 1snr s ILE 300 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1snr s ILE 300 CO 0.00 0.38 -0.21 -0.31 0.00 0.00 0.00 174.94 174.79 1snr s TYR 301 N -0.11 2.41 -0.02 3.97 1.51 -0.08 -4.99 117.35 120.05 1snr s TYR 301 Ca 0.37 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.12 1snr s TYR 301 Cb -0.20 -1.25 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 1snr s TYR 301 CO 0.22 0.42 -0.01 0.00 -1.11 0.00 0.00 175.55 175.07 1snr s ALA 302 N -1.34 3.24 -0.19 3.71 0.00 -1.25 -1.01 121.76 124.93 1snr s ALA 302 Ca 0.18 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1snr s ALA 302 Cb -0.09 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.71 1snr s ALA 302 CO 0.09 0.63 -0.19 -0.47 0.00 0.00 0.00 175.76 175.82 1snr s TYR 303 N -1.02 2.81 0.11 0.00 5.04 0.50 -0.09 117.35 124.70 1snr s TYR 303 Ca 0.18 -1.68 0.02 0.00 -2.44 0.00 0.00 57.07 53.15 1snr s TYR 303 Cb -0.11 -1.92 -0.04 0.00 0.35 0.00 0.00 41.96 40.23 1snr s TYR 303 CO 0.08 -0.81 -0.07 0.14 -1.34 0.00 0.00 175.55 173.54 1snr s VAL 304 N 1.28 0.78 -0.22 3.14 -7.23 -0.06 -0.58 120.40 117.51 1snr s VAL 304 Ca 0.04 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 57.97 1snr s VAL 304 Cb -0.13 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 35.11 1snr s VAL 304 CO -0.12 -0.84 1.17 0.21 -0.31 0.00 0.00 175.10 175.21 1snr s ASN 305 N -3.04 6.97 -0.07 4.85 3.84 -1.02 -0.96 114.94 125.50 1snr s ASN 305 Ca 0.12 1.47 0.02 0.00 0.21 0.00 0.00 52.86 54.68 1snr s ASN 305 Cb 0.05 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.37 1snr s ASN 305 CO -0.04 -0.78 0.94 1.57 -2.79 0.00 0.00 177.10 176.01 1snr n HIS 306 N 6.64 0.54 -2.69 0.43 -0.00 0.20 -3.83 115.22 116.51 1snr n HIS 306 Ca 0.13 -0.41 -0.42 0.00 -0.00 0.00 0.00 57.72 57.01 1snr n HIS 306 Cb 0.46 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.99 30.14 1snr n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1snr s ASN 307 N 0.10 6.34 0.56 0.26 3.84 -1.26 -4.92 114.94 119.85 1snr s ASN 307 Ca 0.12 -0.24 0.34 0.00 0.21 0.00 0.00 52.86 53.29 1snr s ASN 307 Cb 0.10 -2.50 1.48 0.00 -0.55 0.00 0.00 41.25 39.78 1snr s ASN 307 CO 0.03 -1.45 2.03 -0.07 -2.79 0.00 0.00 177.10 174.85 1snr h LEU 308 N 11.73 0.00 -0.20 3.21 3.38 -1.99 0.22 115.31 131.66 1snr h LEU 308 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1snr h LEU 308 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1snr h LEU 308 CO 1.17 0.03 -0.03 0.40 0.09 0.00 0.00 178.44 180.10 1snr h ILE 309 N 0.00 1.27 -0.97 1.22 2.04 -1.91 -0.07 117.51 119.10 1snr h ILE 309 Ca -0.00 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1snr h ILE 309 Cb 0.45 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1snr h ILE 309 CO 0.00 0.29 0.61 -0.33 0.00 0.00 0.00 178.15 178.73 1snr h GLU 310 N 0.10 1.29 -0.03 2.37 5.08 -1.39 0.62 114.58 122.62 1snr h GLU 310 Ca 0.05 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1snr h GLU 310 Cb 0.45 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1snr h GLU 310 CO 0.02 0.88 -0.01 0.00 -1.00 0.00 0.00 179.01 178.90 1snr h ALA 311 N 1.34 0.04 0.00 3.43 0.00 -0.95 -1.25 119.26 121.87 1snr h ALA 311 Ca 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1snr h ALA 311 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1snr h ALA 311 CO -0.07 -0.27 -0.66 1.19 0.00 0.00 0.00 179.25 179.44 1snr n PHE 312 N -4.88 0.00 -0.08 0.00 3.01 -0.05 -2.15 117.46 113.32 1snr n PHE 312 Ca -0.08 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.28 1snr n PHE 312 Cb 0.20 -0.05 -0.10 0.00 -0.01 0.00 0.00 39.48 39.53 1snr n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1snr n GLU 313 N -1.36 0.92 -0.00 -1.08 -0.58 0.12 -4.79 120.64 113.87 1snr n GLU 313 Ca 0.01 0.06 0.08 0.00 -0.42 0.00 0.00 57.16 56.90 1snr n GLU 313 Cb 0.17 -1.37 -0.10 0.00 -0.57 0.00 0.00 31.44 29.57 1snr n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1snr n LEU 314 N -2.84 0.75 0.00 -4.62 4.77 -0.64 -5.01 117.00 109.40 1snr n LEU 314 Ca -0.29 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1snr n LEU 314 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1snr n LEU 314 CO 0.23 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1snr n GLY 315 N 1.42 0.91 2.76 -0.72 0.00 -0.73 -1.18 105.19 107.65 1snr n GLY 315 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1snr n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snr n ALA 316 N 0.00 5.76 -3.68 4.61 0.00 0.21 -4.24 120.51 123.17 1snr n ALA 316 Ca 0.00 -4.27 -0.13 0.00 0.00 0.00 0.00 53.44 49.04 1snr n ALA 316 Cb 0.00 -2.91 -0.14 0.00 0.00 0.00 0.00 19.45 16.41 1snr n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1snr s ALA 317 N -0.11 -0.43 0.35 0.00 0.00 -1.25 -2.44 121.76 117.87 1snr s ALA 317 Ca 0.43 0.83 0.08 0.00 0.00 0.00 0.00 51.96 53.30 1snr s ALA 317 Cb 0.12 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.64 1snr s ALA 317 CO -0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 175.76 175.51 1snr s ALA 318 N 1.13 2.87 0.11 0.00 0.00 0.25 -4.49 121.76 121.62 1snr s ALA 318 Ca -0.08 -2.10 0.10 0.00 0.00 0.00 0.00 51.96 49.87 1snr s ALA 318 Cb -0.10 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1snr s ALA 318 CO -0.07 -0.00 -0.25 -1.01 0.00 0.00 0.00 175.76 174.43 1snr s HIS 319 N -2.73 2.12 -0.02 0.00 3.76 -0.06 -0.37 115.29 117.98 1snr s HIS 319 Ca 0.33 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.87 1snr s HIS 319 Cb 0.04 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.53 1snr s HIS 319 CO 0.16 0.26 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.18 1snr s PHE 320 N -1.05 2.88 -0.21 1.40 0.08 -0.18 -1.07 117.98 119.83 1snr s PHE 320 Ca 0.11 -0.03 -0.03 0.00 0.12 0.00 0.00 56.93 57.10 1snr s PHE 320 Cb -0.10 -1.64 -0.00 0.00 -0.57 0.00 0.00 43.02 40.71 1snr s PHE 320 CO 0.05 0.34 -0.08 0.15 -0.10 0.00 0.00 175.22 175.58 1snr s LYS 321 N -1.15 3.28 -0.13 0.44 1.02 0.28 -0.90 119.74 122.58 1snr s LYS 321 Ca 0.15 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.49 1snr s LYS 321 Cb -0.11 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 1snr s LYS 321 CO 0.05 -0.20 -0.22 0.08 -0.92 0.00 0.00 175.35 174.14 1snr s VAL 322 N 1.43 2.00 0.46 3.17 1.01 -0.41 -2.21 120.40 125.85 1snr s VAL 322 Ca 0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1snr s VAL 322 Cb -0.14 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1snr s VAL 322 CO -0.06 0.54 0.71 0.42 0.00 0.00 0.00 175.10 176.71 1snr s THR 323 N 0.77 4.26 -2.01 3.92 -4.23 -0.69 -0.40 115.64 117.26 1snr s THR 323 Ca -0.09 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 1snr s THR 323 Cb -0.16 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1snr s THR 323 CO -0.00 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1snr n GLY 324 N -2.16 0.55 3.77 3.99 0.00 -1.26 -0.91 105.19 109.17 1snr n GLY 324 Ca 0.01 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 1snr n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1snr s GLU 325 N -0.82 4.13 0.31 1.61 2.12 -1.26 -4.65 118.70 120.14 1snr s GLU 325 Ca 0.00 0.27 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 1snr s GLU 325 Cb 0.00 -3.35 -0.10 0.00 0.26 0.00 0.00 34.13 30.94 1snr s GLU 325 CO 0.00 0.38 1.27 -0.46 -0.54 0.00 0.00 175.26 175.91 1snr s TRP 326 N -0.04 3.17 -0.42 5.30 -0.11 -1.26 -4.42 118.94 121.15 1snr s TRP 326 Ca 0.21 1.45 -0.09 0.00 1.22 0.00 0.00 56.10 58.90 1snr s TRP 326 Cb -0.15 -3.60 0.09 0.00 -1.50 0.00 0.00 33.47 28.31 1snr s TRP 326 CO 0.08 -1.61 0.27 1.21 -4.62 0.00 0.00 176.95 172.28 1snr s ASN 327 N -0.50 5.61 0.47 5.86 3.84 -1.26 -4.96 114.94 123.99 1snr s ASN 327 Ca 0.49 -1.61 0.26 0.00 0.21 0.00 0.00 52.86 52.21 1snr s ASN 327 Cb -0.38 -1.97 0.68 0.00 -0.55 0.00 0.00 41.25 39.03 1snr s ASN 327 CO 0.49 -0.56 1.73 0.44 -2.79 0.00 0.00 177.10 176.42 1snr h ASP 328 N 8.38 0.00 0.18 -4.21 5.19 -1.96 -2.65 116.42 121.36 1snr h ASP 328 Ca -0.22 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 1snr h ASP 328 Cb 1.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1snr h ASP 328 CO 0.77 0.03 -0.09 -0.78 -3.12 0.00 0.00 179.24 176.05 1snr h ASP 329 N 0.00 -0.20 -0.83 6.45 -0.00 -2.02 -3.13 116.42 116.69 1snr h ASP 329 Ca -0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.03 56.92 1snr h ASP 329 Cb 0.85 0.05 -0.04 0.00 -0.00 0.00 0.00 39.33 40.19 1snr h ASP 329 CO 0.00 -0.05 0.42 -0.07 -0.00 0.00 0.00 179.24 179.54 1snr h LEU 330 N -0.35 1.07 -7.00 2.28 3.38 -1.96 -3.44 115.31 109.29 1snr h LEU 330 Ca -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1snr h LEU 330 Cb 0.27 -0.28 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 1snr h LEU 330 CO 0.04 0.89 0.12 -0.32 0.09 0.00 0.00 178.44 179.26 1snr s MET 331 N -5.70 0.76 -0.03 1.13 0.00 -1.01 -5.14 119.30 109.30 1snr s MET 331 Ca -0.12 1.05 -0.15 0.00 0.00 0.00 0.00 55.69 56.47 1snr s MET 331 Cb 0.17 0.29 0.03 0.00 0.00 0.00 0.00 34.83 35.31 1snr s MET 331 CO 0.83 -0.11 0.32 -0.08 0.00 0.00 0.00 175.02 175.97 1snr s THR 332 N 0.85 0.05 -0.67 10.11 -1.32 -1.25 -4.02 115.64 119.39 1snr s THR 332 Ca -0.04 -0.40 -0.23 0.00 -1.21 0.00 0.00 61.69 59.82 1snr s THR 332 Cb -0.05 -0.60 0.07 0.00 -1.51 0.00 0.00 72.50 70.41 1snr s THR 332 CO -0.07 -0.22 0.98 -0.55 -2.21 0.00 0.00 174.62 172.55 1snr s SER 333 N -1.11 6.17 0.17 8.08 0.15 -1.26 -4.89 113.70 121.02 1snr s SER 333 Ca -0.12 -0.97 -0.11 0.00 0.70 0.00 0.00 55.95 55.46 1snr s SER 333 Cb -0.05 -2.43 0.04 0.00 -1.71 0.00 0.00 66.02 61.88 1snr s SER 333 CO 0.04 -1.46 1.61 0.58 1.20 0.00 0.00 173.24 175.21 1snr h VAL 334 N 5.98 1.27 -3.23 4.45 2.07 -2.01 -3.40 116.25 121.37 1snr h VAL 334 Ca -0.28 -1.15 -0.49 0.00 0.82 0.00 0.00 66.70 65.60 1snr h VAL 334 Cb 1.07 0.91 -0.40 0.00 -1.52 0.00 0.00 31.29 31.35 1snr h VAL 334 CO 1.19 0.41 -0.76 -0.22 0.02 0.00 0.00 177.57 178.21 1snr s LEU 335 N -9.33 0.88 0.63 2.57 2.96 -1.26 -5.14 118.68 109.99 1snr s LEU 335 Ca -0.12 -0.62 -0.17 0.00 -0.22 0.00 0.00 54.13 52.99 1snr s LEU 335 Cb 0.13 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 1snr s LEU 335 CO 0.85 -0.29 1.18 0.00 -1.32 0.00 0.00 176.35 176.76 1snr s ALA 336 N 1.94 2.45 -0.18 5.97 0.00 -1.26 -4.87 121.76 125.81 1snr s ALA 336 Ca 0.01 0.87 -0.42 0.00 0.00 0.00 0.00 51.96 52.42 1snr s ALA 336 Cb -0.16 -3.42 -0.19 0.00 0.00 0.00 0.00 23.12 19.36 1snr s ALA 336 CO -0.08 -1.29 1.39 -2.30 0.00 0.00 0.00 175.76 173.49 1snr n PRO 337 N -1.96 0.41 -3.47 0.00 -0.02 -1.26 -4.92 135.00 123.77 1snr n PRO 337 Ca 0.13 0.15 -0.11 0.00 -2.02 0.00 0.00 63.50 61.64 1snr n PRO 337 Cb 0.50 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 1snr n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1snr s SER 338 N 1.58 -0.49 0.00 2.55 1.04 -1.26 -5.29 113.70 111.84 1snr s SER 338 Ca 0.95 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1snr s SER 338 Cb -1.25 0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1snr s SER 338 CO 0.64 -0.77 0.24 0.61 0.98 0.00 0.00 173.24 174.94