#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 2.90 0.21 0.00 -4.23 -1.26 -4.88 115.64 108.38 1snr s THR 5 Ca 0.00 0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.66 1snr s THR 5 Cb 0.00 -3.28 0.16 0.00 1.34 0.00 0.00 72.50 70.72 1snr s THR 5 CO 0.00 -0.36 1.85 0.00 -0.54 0.00 0.00 174.62 175.57 1snr h ALA 6 N -0.77 0.96 -0.55 3.99 0.00 -2.05 -1.50 119.26 119.34 1snr h ALA 6 Ca -0.45 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1snr h ALA 6 Cb 1.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1snr h ALA 6 CO 0.64 0.24 -0.01 0.00 0.00 0.00 0.00 179.25 180.12 1snr h ALA 7 N 1.31 0.95 -0.66 0.00 0.00 -1.98 -1.55 119.26 117.33 1snr h ALA 7 Ca 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1snr h ALA 7 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1snr h ALA 7 CO -0.11 0.63 0.35 0.93 0.00 0.00 0.00 179.25 181.05 1snr h GLU 8 N 0.87 0.93 -0.37 0.00 5.08 -1.72 -1.40 114.58 117.96 1snr h GLU 8 Ca 0.16 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1snr h GLU 8 Cb 0.53 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1snr h GLU 8 CO 0.03 0.71 -0.04 0.82 -1.00 0.00 0.00 179.01 179.53 1snr h ILE 9 N 0.90 1.27 0.00 3.13 2.04 -1.14 -2.86 117.51 120.85 1snr h ILE 9 Ca 0.23 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1snr h ILE 9 Cb 0.07 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1snr h ILE 9 CO -0.03 0.36 -0.17 0.00 0.00 0.00 0.00 178.15 178.30 1snr h ALA 10 N 0.85 1.39 0.00 1.87 0.00 -1.10 -2.73 119.26 119.55 1snr h ALA 10 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1snr h ALA 10 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1snr h ALA 10 CO 0.03 0.21 -0.20 0.00 0.00 0.00 0.00 179.25 179.29 1snr n ALA 11 N -2.36 2.58 -1.76 0.00 0.00 -0.54 -4.90 120.51 113.52 1snr n ALA 11 Ca -0.02 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 1snr n ALA 11 Cb 0.27 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.38 1snr n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1snr n LEU 12 N -1.98 5.30 -4.76 0.00 4.77 -1.03 -4.95 117.00 114.35 1snr n LEU 12 Ca 0.05 1.07 -0.38 0.00 -0.03 0.00 0.00 56.01 56.72 1snr n LEU 12 Cb 0.40 -1.60 0.02 0.00 -2.33 0.00 0.00 43.42 39.91 1snr n LEU 12 CO 0.32 -0.30 0.94 -2.84 -1.33 0.00 0.00 177.39 174.18 1snr s PRO 13 N -2.61 3.51 -0.13 3.23 0.02 -1.26 -4.77 135.00 132.98 1snr s PRO 13 Ca 0.65 2.10 -0.05 0.00 0.02 0.00 0.00 61.00 63.73 1snr s PRO 13 Cb -0.44 -2.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.63 1snr s PRO 13 CO 0.54 -0.85 0.03 1.03 -0.33 0.00 0.00 177.00 177.42 1snr s ARG 14 N -2.69 3.50 -0.06 5.54 3.00 -1.26 -0.93 118.95 126.04 1snr s ARG 14 Ca 0.66 -0.37 -0.01 0.00 0.00 0.00 0.00 55.73 56.01 1snr s ARG 14 Cb -0.37 -3.01 0.03 0.00 0.00 0.00 0.00 34.95 31.60 1snr s ARG 14 CO 0.45 0.49 0.01 -1.14 0.00 0.00 0.00 175.30 175.11 1snr s GLN 15 N -0.27 0.42 0.10 3.54 0.74 -0.37 -4.97 119.66 118.85 1snr s GLN 15 Ca 0.07 0.16 -0.28 0.00 0.05 0.00 0.00 55.36 55.37 1snr s GLN 15 Cb -0.12 -0.81 -0.06 0.00 1.10 0.00 0.00 33.01 33.12 1snr s GLN 15 CO 0.02 -0.28 0.87 0.15 -0.55 0.00 0.00 175.29 175.50 1snr s LYS 16 N 1.88 4.62 -0.06 1.67 1.02 -1.26 -0.44 119.74 127.16 1snr s LYS 16 Ca 0.03 1.29 0.05 0.00 0.02 0.00 0.00 55.97 57.35 1snr s LYS 16 Cb -0.12 -3.36 -0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1snr s LYS 16 CO -0.04 0.28 -0.21 0.08 -0.92 0.00 0.00 175.35 174.54 1snr s VAL 17 N -0.16 1.76 -0.12 3.17 1.01 -0.52 -4.92 120.40 120.62 1snr s VAL 17 Ca 0.43 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 1snr s VAL 17 Cb -0.22 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1snr s VAL 17 CO 0.27 0.49 0.85 -1.61 0.00 0.00 0.00 175.10 175.10 1snr s GLU 18 N 0.12 4.37 0.54 2.72 2.02 -1.26 -4.69 118.70 122.53 1snr s GLU 18 Ca -0.09 1.09 -0.16 0.00 0.02 0.00 0.00 54.97 55.84 1snr s GLU 18 Cb -0.14 -3.53 -0.07 0.00 0.10 0.00 0.00 34.13 30.49 1snr s GLU 18 CO 0.05 -0.22 1.00 -0.51 0.02 0.00 0.00 175.26 175.60 1snr s LEU 19 N 1.73 3.54 0.27 1.80 1.43 -1.26 -4.65 118.68 121.55 1snr s LEU 19 Ca 0.41 1.58 0.07 0.00 -1.03 0.00 0.00 54.13 55.16 1snr s LEU 19 Cb -0.18 -4.51 -0.06 0.00 0.03 0.00 0.00 46.19 41.48 1snr s LEU 19 CO 0.16 -0.71 -0.09 0.68 0.23 0.00 0.00 176.35 176.62 1snr s VAL 20 N -2.69 1.77 0.28 -1.59 -7.23 -1.26 -4.97 120.40 104.70 1snr s VAL 20 Ca 0.59 -2.17 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 1snr s VAL 20 Cb -0.11 -2.38 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 1snr s VAL 20 CO 0.36 -0.35 0.96 -1.81 -0.31 0.00 0.00 175.10 173.95 1snr s ASP 21 N -3.44 7.48 0.67 4.85 1.01 -1.26 -4.60 116.67 121.38 1snr s ASP 21 Ca 0.28 1.95 -0.17 0.00 0.71 0.00 0.00 52.55 55.32 1snr s ASP 21 Cb 0.02 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 1snr s ASP 21 CO 0.12 0.04 1.20 -2.65 0.21 0.00 0.00 175.17 174.08 1snr n PRO 22 N 1.12 0.91 -0.07 8.23 -0.02 -1.26 -2.02 135.00 141.88 1snr n PRO 22 Ca -0.00 0.37 0.09 0.00 -2.02 0.00 0.00 63.50 61.93 1snr n PRO 22 Cb 0.48 -2.43 0.35 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.93 1.53 -1.66 0.52 -0.04 -1.26 -5.04 135.00 127.12 1snr n PRO 23 Ca 0.15 -0.80 -0.30 0.00 -0.04 0.00 0.00 63.50 62.51 1snr n PRO 23 Cb 0.48 -1.32 0.08 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.81 3.00 -0.01 0.54 0.40 -0.86 -0.81 117.98 118.43 1snr s PHE 24 Ca 0.27 1.13 0.02 0.00 -0.60 0.00 0.00 56.93 57.76 1snr s PHE 24 Cb 0.14 -3.10 -0.00 0.00 0.51 0.00 0.00 43.02 40.57 1snr s PHE 24 CO 0.21 -1.57 -0.08 0.08 0.70 0.00 0.00 175.22 174.57 1snr s VAL 25 N -3.22 0.65 1.11 -0.44 1.01 -1.26 -4.59 120.40 113.66 1snr s VAL 25 Ca 0.60 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 1snr s VAL 25 Cb -0.13 -0.55 0.25 0.00 0.00 0.00 0.00 36.38 35.94 1snr s VAL 25 CO 0.53 0.19 1.05 -1.38 0.00 0.00 0.00 175.10 175.50 1snr s HIS 26 N -0.11 1.63 0.20 5.22 -3.43 -1.26 -4.91 115.29 112.62 1snr s HIS 26 Ca 0.02 1.10 -0.31 0.00 -0.80 0.00 0.00 55.06 55.07 1snr s HIS 26 Cb -0.04 -3.16 -0.11 0.00 -1.43 0.00 0.00 32.58 27.84 1snr s HIS 26 CO -0.00 -3.53 1.59 0.00 -2.00 0.00 0.00 174.74 170.81 1snr s ALA 27 N -2.66 3.80 0.22 -1.38 0.00 -1.26 -4.99 121.76 115.49 1snr s ALA 27 Ca 0.67 1.44 -0.22 0.00 0.00 0.00 0.00 51.96 53.85 1snr s ALA 27 Cb -0.23 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.30 1snr s ALA 27 CO 0.62 -0.83 0.69 -3.38 0.00 0.00 0.00 175.76 172.85 1snr s HIS 28 N 0.87 -0.33 -0.05 0.00 -3.43 -1.26 -5.03 115.29 106.06 1snr s HIS 28 Ca 0.69 -0.01 0.03 0.00 -0.80 0.00 0.00 55.06 54.97 1snr s HIS 28 Cb -0.45 0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 31.31 1snr s HIS 28 CO 0.35 -1.04 -0.13 0.45 -2.00 0.00 0.00 174.74 172.36 1snr s SER 29 N -2.84 4.11 -0.01 7.38 0.15 -1.26 -5.04 113.70 116.20 1snr s SER 29 Ca 0.07 -0.17 -0.25 0.00 0.70 0.00 0.00 55.95 56.29 1snr s SER 29 Cb -0.04 -0.90 -0.19 0.00 -1.71 0.00 0.00 66.02 63.18 1snr s SER 29 CO -0.02 0.35 1.28 1.56 1.20 0.00 0.00 173.24 177.61 1snr h GLN 30 N 5.34 -0.07 -6.48 5.44 4.20 -1.97 -3.41 115.11 118.17 1snr h GLN 30 Ca -0.47 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.72 1snr h GLN 30 Cb 1.16 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 1snr h GLN 30 CO 0.51 0.35 0.27 0.08 -0.67 0.00 0.00 178.83 179.36 1snr s VAL 31 N -4.45 4.53 0.45 -0.54 1.01 -1.26 -3.40 120.40 116.75 1snr s VAL 31 Ca -0.15 1.88 -0.25 0.00 0.00 0.00 0.00 61.98 63.45 1snr s VAL 31 Cb 0.02 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 1snr s VAL 31 CO 0.64 0.37 1.42 0.00 0.00 0.00 0.00 175.10 177.53 1snr s ALA 32 N -0.24 3.24 -0.37 5.51 0.00 0.35 -4.95 121.76 125.29 1snr s ALA 32 Ca 0.42 1.45 -0.10 0.00 0.00 0.00 0.00 51.96 53.73 1snr s ALA 32 Cb -0.22 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.35 1snr s ALA 32 CO 0.27 -1.17 0.19 -1.21 0.00 0.00 0.00 175.76 173.85 1snr s GLU 33 N -2.44 2.75 0.69 0.00 2.02 -1.26 -4.98 118.70 115.49 1snr s GLU 33 Ca 0.61 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1snr s GLU 33 Cb -0.43 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.11 1snr s GLU 33 CO 0.56 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.52 1snr n GLY 34 N 4.95 -2.16 2.05 -1.39 0.00 -1.26 -4.95 105.19 102.42 1snr n GLY 34 Ca -0.12 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.28 -1.00 3.63 -0.02 0.00 -1.26 -4.99 105.19 101.27 1snr n GLY 35 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.41 1.58 -4.26 1.61 -0.02 -1.26 -5.01 135.00 125.24 1snr n PRO 36 Ca 0.09 0.56 -0.14 0.00 -2.02 0.00 0.00 63.50 61.98 1snr n PRO 36 Cb 0.31 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 1snr n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1snr s LYS 37 N -1.86 1.09 -0.44 -0.52 1.02 -1.26 -4.40 119.74 113.37 1snr s LYS 37 Ca 0.60 -1.48 -0.17 0.00 0.02 0.00 0.00 55.97 54.94 1snr s LYS 37 Cb -0.60 -0.62 0.03 0.00 -0.52 0.00 0.00 37.83 36.13 1snr s LYS 37 CO 0.59 0.05 0.44 0.08 -0.92 0.00 0.00 175.35 175.59 1snr s VAL 38 N -3.34 5.10 -0.28 3.17 1.01 -0.11 -0.91 120.40 125.04 1snr s VAL 38 Ca 0.18 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1snr s VAL 38 Cb 0.03 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1snr s VAL 38 CO 0.01 -0.48 0.42 -0.69 0.00 0.00 0.00 175.10 174.36 1snr s VAL 39 N 2.07 5.13 -0.20 2.92 1.01 0.26 -1.24 120.40 130.36 1snr s VAL 39 Ca 0.10 0.60 -0.09 0.00 0.00 0.00 0.00 61.98 62.60 1snr s VAL 39 Cb -0.19 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1snr s VAL 39 CO 0.12 0.09 0.10 -1.61 0.00 0.00 0.00 175.10 173.80 1snr s GLU 40 N 2.16 4.04 0.12 2.72 2.02 0.41 -0.66 118.70 129.52 1snr s GLU 40 Ca 0.17 -0.30 0.07 0.00 0.02 0.00 0.00 54.97 54.93 1snr s GLU 40 Cb -0.16 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1snr s GLU 40 CO 0.10 0.22 -0.17 -0.06 0.02 0.00 0.00 175.26 175.37 1snr s PHE 41 N 0.55 1.59 -0.05 1.61 0.40 -0.60 -1.44 117.98 120.04 1snr s PHE 41 Ca 0.05 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1snr s PHE 41 Cb -0.12 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.57 1snr s PHE 41 CO 0.00 0.19 -0.13 0.99 0.70 0.00 0.00 175.22 176.98 1snr s THR 42 N -1.67 1.16 -0.02 0.64 2.01 -1.26 -0.78 115.64 115.71 1snr s THR 42 Ca 0.08 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1snr s THR 42 Cb -0.08 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1snr s THR 42 CO 0.04 0.35 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.20 1snr s MET 43 N 0.31 0.86 -0.17 4.92 -1.94 -0.27 -4.93 119.30 118.08 1snr s MET 43 Ca -0.08 -0.26 -0.08 0.00 -1.71 0.00 0.00 55.69 53.56 1snr s MET 43 Cb -0.12 -0.82 -0.05 0.00 2.01 0.00 0.00 34.83 35.86 1snr s MET 43 CO 0.02 0.09 0.11 0.08 -0.01 0.00 0.00 175.02 175.31 1snr s VAL 44 N 0.25 5.26 -0.00 -6.03 1.01 -1.26 -1.40 120.40 118.22 1snr s VAL 44 Ca -0.04 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 1snr s VAL 44 Cb -0.08 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1snr s VAL 44 CO 0.00 0.49 0.77 -0.63 0.00 0.00 0.00 175.10 175.74 1snr s ILE 45 N -0.01 4.87 -0.13 2.22 1.01 -0.22 -0.47 121.20 128.48 1snr s ILE 45 Ca 0.09 1.62 0.02 0.00 0.00 0.00 0.00 60.65 62.38 1snr s ILE 45 Cb -0.12 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1snr s ILE 45 CO -0.00 0.29 -0.20 -1.61 0.00 0.00 0.00 174.94 173.42 1snr s GLU 46 N 0.43 2.81 -0.24 2.79 2.02 -0.23 -4.41 118.70 121.87 1snr s GLU 46 Ca 0.40 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 54.45 1snr s GLU 46 Cb -0.19 -2.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 1snr s GLU 46 CO 0.22 -0.03 0.46 -1.21 0.02 0.00 0.00 175.26 174.72 1snr s GLU 47 N 0.86 4.10 -0.03 1.61 2.02 -1.26 -1.06 118.70 124.94 1snr s GLU 47 Ca -0.07 0.24 -0.28 0.00 0.02 0.00 0.00 54.97 54.89 1snr s GLU 47 Cb -0.15 -3.61 0.06 0.00 0.10 0.00 0.00 34.13 30.52 1snr s GLU 47 CO -0.02 -0.24 0.61 -1.59 0.02 0.00 0.00 175.26 174.05 1snr s LYS 48 N 1.94 1.02 0.08 1.61 -2.85 -0.68 -5.00 119.74 115.86 1snr s LYS 48 Ca 0.20 0.13 -0.31 0.00 -1.00 0.00 0.00 55.97 54.98 1snr s LYS 48 Cb -0.15 0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 36.03 1snr s LYS 48 CO 0.09 -0.33 1.25 0.15 0.10 0.00 0.00 175.35 176.62 1snr s LYS 49 N -1.43 4.41 0.14 1.78 1.02 -1.26 -0.61 119.74 123.78 1snr s LYS 49 Ca -0.10 1.86 0.09 0.00 0.02 0.00 0.00 55.97 57.83 1snr s LYS 49 Cb -0.01 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1snr s LYS 49 CO 0.07 -0.29 -0.20 0.96 -0.92 0.00 0.00 175.35 174.97 1snr s ILE 50 N 0.99 1.80 -0.20 2.17 -4.36 -0.26 -4.92 121.20 116.43 1snr s ILE 50 Ca 0.60 -1.74 -0.10 0.00 -0.26 0.00 0.00 60.65 59.15 1snr s ILE 50 Cb -0.32 -1.72 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 1snr s ILE 50 CO 0.30 -0.17 0.13 -0.69 0.24 0.00 0.00 174.94 174.74 1snr s VAL 51 N -1.59 5.34 -0.75 8.37 1.01 -1.26 -1.08 120.40 130.44 1snr s VAL 51 Ca 0.11 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.35 1snr s VAL 51 Cb -0.08 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1snr s VAL 51 CO 0.06 0.43 0.56 2.30 0.00 0.00 0.00 175.10 178.44 1snr n ILE 52 N 3.64 0.00 -4.02 2.22 -5.35 -0.22 -4.87 119.36 110.76 1snr n ILE 52 Ca -0.16 -0.39 -0.13 0.00 -0.27 0.00 0.00 62.75 61.80 1snr n ILE 52 Cb 0.52 1.09 -0.03 0.00 -1.74 0.00 0.00 39.64 39.48 1snr n ILE 52 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1snr n ASP 53 N -0.43 -1.16 0.00 7.28 3.85 -1.26 -0.81 116.55 124.02 1snr n ASP 53 Ca 0.03 -2.68 0.14 0.00 -0.71 0.00 0.00 54.79 51.57 1snr n ASP 53 Cb 0.18 2.18 0.73 0.00 -1.35 0.00 0.00 41.12 42.86 1snr n ASP 53 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1snr n ASP 54 N -1.70 0.00 -1.17 -1.12 5.68 -1.26 -3.33 116.55 113.65 1snr n ASP 54 Ca 0.01 -0.36 0.09 0.00 -0.50 0.00 0.00 54.79 54.03 1snr n ASP 54 Cb 0.52 -0.19 0.28 0.00 -1.14 0.00 0.00 41.12 40.58 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 -1.19 2.69 -1.05 2.12 0.00 -1.26 -4.97 120.51 116.85 1snr n ALA 55 Ca 0.16 -1.53 -0.02 0.00 0.00 0.00 0.00 53.44 52.05 1snr n ALA 55 Cb 0.18 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 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 0.79 0.53 3.73 0.00 0.00 -1.21 -4.98 105.19 104.05 1snr n GLY 56 Ca 0.21 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.96 2.51 0.01 2.61 2.01 -1.26 -4.88 115.64 114.67 1snr s THR 57 Ca 0.00 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1snr s THR 57 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1snr s THR 57 CO 0.00 0.04 0.06 -1.61 -0.69 0.00 0.00 174.62 172.42 1snr s GLU 58 N 0.69 2.96 -0.02 4.92 2.02 -1.26 -1.06 118.70 126.95 1snr s GLU 58 Ca 0.68 -0.55 0.06 0.00 0.02 0.00 0.00 54.97 55.18 1snr s GLU 58 Cb -0.44 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 30.98 1snr s GLU 58 CO 0.35 0.63 -0.19 0.08 0.02 0.00 0.00 175.26 176.15 1snr s VAL 59 N -1.18 1.51 -0.96 2.63 1.01 -0.24 -4.97 120.40 118.20 1snr s VAL 59 Ca 0.22 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 1snr s VAL 59 Cb -0.12 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.04 1snr s VAL 59 CO 0.14 0.43 1.48 -1.00 0.00 0.00 0.00 175.10 176.14 1snr s HIS 60 N -0.43 2.41 0.48 5.22 3.76 -1.26 -1.10 115.29 124.37 1snr s HIS 60 Ca 0.07 -0.56 -0.21 0.00 -0.15 0.00 0.00 55.06 54.21 1snr s HIS 60 Cb -0.08 -4.62 -0.08 0.00 1.11 0.00 0.00 32.58 28.92 1snr s HIS 60 CO -0.01 -1.95 1.06 0.00 -0.85 0.00 0.00 174.74 173.00 1snr s ALA 61 N 5.64 2.88 -0.28 -1.40 0.00 0.22 -4.87 121.76 123.96 1snr s ALA 61 Ca 0.47 0.67 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1snr s ALA 61 Cb -0.02 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.90 1snr s ALA 61 CO -0.05 -0.39 -0.01 -1.64 0.00 0.00 0.00 175.76 173.67 1snr s MET 62 N -3.10 1.55 -0.18 0.00 -1.94 -0.55 -1.69 119.30 113.39 1snr s MET 62 Ca 0.67 -1.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 1snr s MET 62 Cb -0.19 -2.74 0.04 0.00 2.01 0.00 0.00 34.83 33.95 1snr s MET 62 CO 0.23 -0.76 -0.09 0.00 -0.01 0.00 0.00 175.02 174.39 1snr s ALA 63 N 1.23 1.77 0.09 3.03 0.00 -0.22 -2.20 121.76 125.45 1snr s ALA 63 Ca 0.01 -1.00 -0.31 0.00 0.00 0.00 0.00 51.96 50.66 1snr s ALA 63 Cb -0.19 -1.18 -0.09 0.00 0.00 0.00 0.00 23.12 21.66 1snr s ALA 63 CO -0.09 -0.73 1.69 -0.06 0.00 0.00 0.00 175.76 176.56 1snr s PHE 64 N 1.51 2.39 -1.44 0.00 0.08 -1.25 -1.06 117.98 118.20 1snr s PHE 64 Ca 0.00 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.31 1snr s PHE 64 Cb -0.15 -4.01 0.00 0.00 -0.57 0.00 0.00 43.02 38.28 1snr s PHE 64 CO -0.08 -4.08 0.00 -1.71 -0.10 0.00 0.00 175.22 169.24 1snr n ASN 65 N 5.53 -5.34 0.00 1.36 5.15 0.38 -2.47 115.26 119.87 1snr n ASN 65 Ca 0.16 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 1snr n ASN 65 Cb 0.40 -4.04 0.00 0.00 -0.53 0.00 0.00 39.78 35.61 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 -0.38 0.87 3.38 8.20 0.00 -0.90 -4.93 105.19 111.44 1snr n GLY 66 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.45 2.13 -0.25 2.61 -4.23 -1.03 -4.96 115.64 106.46 1snr s THR 67 Ca 0.00 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1snr s THR 67 Cb 0.00 -1.99 0.05 0.00 1.34 0.00 0.00 72.50 71.90 1snr s THR 67 CO 0.00 -0.18 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.09 1snr s VAL 68 N -1.77 2.24 0.96 2.29 1.01 -1.26 -2.83 120.40 121.03 1snr s VAL 68 Ca 0.18 -1.49 -0.12 0.00 0.00 0.00 0.00 61.98 60.54 1snr s VAL 68 Cb -0.07 -2.25 0.17 0.00 0.00 0.00 0.00 36.38 34.22 1snr s VAL 68 CO 0.08 0.06 1.12 -2.16 0.00 0.00 0.00 175.10 174.20 1snr s PRO 69 N 1.15 0.76 0.97 2.72 0.04 -1.26 -2.38 135.00 137.00 1snr s PRO 69 Ca -0.06 0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.23 1snr s PRO 69 Cb -0.19 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.74 1snr s PRO 69 CO -0.06 -2.47 1.12 0.20 0.04 0.00 0.00 177.00 175.82 1snr s GLY 70 N -3.79 1.65 0.68 0.56 0.00 0.14 -4.72 107.32 101.84 1snr s GLY 70 Ca 0.65 0.41 -0.14 0.00 0.00 0.00 0.00 44.72 45.63 1snr s GLY 70 CO 0.55 0.89 1.10 2.56 0.00 0.00 0.00 173.10 178.21 1snr s PRO 71 N -4.62 2.75 -0.11 2.90 0.04 -1.26 -4.43 135.00 130.27 1snr s PRO 71 Ca 0.67 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 1snr s PRO 71 Cb -0.23 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1snr s PRO 71 CO 0.59 -1.28 1.04 -1.17 0.04 0.00 0.00 177.00 176.22 1snr s LEU 72 N -5.05 4.24 -0.16 -3.56 2.96 -1.26 -4.31 118.68 111.54 1snr s LEU 72 Ca 0.65 1.56 -0.08 0.00 -0.22 0.00 0.00 54.13 56.05 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 -0.49 0.12 -0.04 -1.32 0.00 0.00 176.35 175.07 1snr s MET 73 N 2.15 3.77 -0.14 1.98 -1.94 -1.16 -4.57 119.30 119.39 1snr s MET 73 Ca 0.49 -0.20 0.02 0.00 -1.71 0.00 0.00 55.69 54.29 1snr s MET 73 Cb -0.19 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 33.40 1snr s MET 73 CO 0.18 0.54 -0.19 0.08 -0.01 0.00 0.00 175.02 175.62 1snr s VAL 74 N -0.35 1.84 0.39 -6.03 1.01 -1.26 -0.49 120.40 115.51 1snr s VAL 74 Ca 0.11 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1snr s VAL 74 Cb -0.12 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1snr s VAL 74 CO 0.01 0.51 0.21 0.68 0.00 0.00 0.00 175.10 176.51 1snr s VAL 75 N 0.98 0.28 0.24 2.92 -7.23 -0.34 -5.00 120.40 112.26 1snr s VAL 75 Ca -0.05 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.21 1snr s VAL 75 Cb -0.15 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1snr s VAL 75 CO -0.04 0.00 0.01 -1.00 -0.31 0.00 0.00 175.10 173.76 1snr s HIS 76 N -3.27 2.75 0.19 2.82 3.76 -1.26 -0.91 115.29 119.38 1snr s HIS 76 Ca 0.30 -0.20 -0.33 0.00 -0.15 0.00 0.00 55.06 54.68 1snr s HIS 76 Cb 0.02 -1.25 -0.14 0.00 1.11 0.00 0.00 32.58 32.32 1snr s HIS 76 CO 0.21 0.59 1.49 0.94 -0.85 0.00 0.00 174.74 177.12 1snr n GLN 77 N -0.74 2.05 -0.93 1.40 7.27 0.22 -1.25 117.38 125.40 1snr n GLN 77 Ca -0.07 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.73 1snr n GLN 77 Cb 0.58 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.78 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 2.81 -2.09 -4.67 1.69 10.43 0.21 -4.72 116.55 120.20 1snr n ASP 78 Ca 0.15 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.22 1snr n ASP 78 Cb 0.29 -1.09 0.18 0.00 1.84 0.00 0.00 41.12 42.34 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 -2.33 2.64 -0.00 -2.24 -0.00 -0.38 -4.65 116.67 109.71 1snr s ASP 79 Ca 0.00 1.24 0.03 0.00 -0.00 0.00 0.00 52.55 53.82 1snr s ASP 79 Cb 0.00 -1.91 -0.03 0.00 -0.00 0.00 0.00 42.92 40.98 1snr s ASP 79 CO 0.00 -3.13 -0.08 -0.31 -0.00 0.00 0.00 175.17 171.66 1snr s TYR 80 N -2.94 2.87 -0.23 4.23 1.51 -0.09 -0.87 117.35 121.83 1snr s TYR 80 Ca 0.65 -0.05 -0.07 0.00 -1.01 0.00 0.00 57.07 56.60 1snr s TYR 80 Cb -0.19 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1snr s TYR 80 CO 0.58 0.36 0.06 -1.17 -1.11 0.00 0.00 175.55 174.26 1snr s LEU 81 N -1.34 3.45 -0.31 -1.29 0.20 -0.06 -0.57 118.68 118.77 1snr s LEU 81 Ca 0.16 -0.17 0.03 0.00 0.69 0.00 0.00 54.13 54.85 1snr s LEU 81 Cb -0.11 -1.91 0.09 0.00 -0.43 0.00 0.00 46.19 43.83 1snr s LEU 81 CO 0.07 0.01 0.01 -0.70 -0.29 0.00 0.00 176.35 175.44 1snr s GLU 82 N 1.32 1.63 -0.20 1.98 2.12 0.17 -1.47 118.70 124.25 1snr s GLU 82 Ca 0.05 -1.63 -0.09 0.00 0.36 0.00 0.00 54.97 53.66 1snr s GLU 82 Cb -0.15 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1snr s GLU 82 CO 0.03 -0.83 0.10 -1.17 -0.54 0.00 0.00 175.26 172.86 1snr s LEU 83 N 1.03 3.97 -0.31 2.70 2.96 0.11 -1.56 118.68 127.58 1snr s LEU 83 Ca 0.05 0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.91 1snr s LEU 83 Cb -0.19 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1snr s LEU 83 CO -0.08 0.14 0.42 -0.89 -1.32 0.00 0.00 176.35 174.62 1snr s THR 84 N 0.60 5.12 -0.15 3.68 2.01 0.04 -1.28 115.64 125.66 1snr s THR 84 Ca 0.06 0.40 -0.01 0.00 0.31 0.00 0.00 61.69 62.45 1snr s THR 84 Cb -0.12 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1snr s THR 84 CO 0.01 -0.02 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.58 1snr s LEU 85 N 2.17 2.75 -0.09 4.42 2.96 -0.05 -1.11 118.68 129.73 1snr s LEU 85 Ca 0.16 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1snr s LEU 85 Cb -0.16 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1snr s LEU 85 CO 0.11 0.12 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.43 1snr s ILE 86 N 0.60 1.81 -0.46 6.68 1.01 -0.50 -1.37 121.20 128.97 1snr s ILE 86 Ca -0.07 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 1snr s ILE 86 Cb -0.15 -1.58 0.12 0.00 0.01 0.00 0.00 42.46 40.86 1snr s ILE 86 CO 0.03 0.51 0.23 0.21 0.00 0.00 0.00 174.94 175.91 1snr s ASN 87 N 0.36 4.99 0.75 3.58 2.47 -0.13 -1.05 114.94 125.92 1snr s ASN 87 Ca -0.16 -2.40 -0.15 0.00 0.42 0.00 0.00 52.86 50.57 1snr s ASN 87 Cb -0.17 -1.76 0.04 0.00 -1.45 0.00 0.00 41.25 37.92 1snr s ASN 87 CO 0.07 -0.42 1.18 -2.65 -3.72 0.00 0.00 177.10 171.57 1snr n PRO 88 N 4.04 0.48 0.22 0.43 -0.02 -1.26 0.01 135.00 138.90 1snr n PRO 88 Ca 0.03 0.23 0.15 0.00 -2.02 0.00 0.00 63.50 61.89 1snr n PRO 88 Cb 0.39 -2.42 0.70 0.00 -0.02 0.00 0.00 33.50 32.15 1snr n PRO 88 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1snr h GLU 89 N -0.42 0.00 0.00 -0.52 4.11 -1.90 -1.82 114.58 114.04 1snr h GLU 89 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1snr h GLU 89 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1snr h GLU 89 CO 0.48 0.00 0.00 1.79 0.07 0.00 0.00 179.01 181.35 1snr h THR 90 N 0.00 0.00 -4.29 -1.06 1.35 -1.95 -3.44 112.91 103.52 1snr h THR 90 Ca 0.00 -0.46 -0.50 0.00 -0.55 0.00 0.00 66.41 64.90 1snr h THR 90 Cb 0.26 1.36 0.11 0.00 -1.73 0.00 0.00 68.15 68.15 1snr h THR 90 CO 0.00 0.00 0.34 0.20 -0.25 0.00 0.00 175.52 175.81 1snr s ASN 91 N -4.92 4.75 -0.11 5.36 0.01 -0.68 -5.02 114.94 114.33 1snr s ASN 91 Ca 0.05 1.53 0.15 0.00 -0.71 0.00 0.00 52.86 53.89 1snr s ASN 91 Cb 0.09 -2.31 -0.22 0.00 0.41 0.00 0.00 41.25 39.22 1snr s ASN 91 CO 0.52 -1.84 0.16 0.35 -1.51 0.00 0.00 177.10 174.78 1snr n THR 92 N -3.37 0.73 -4.22 1.60 -2.24 -1.26 -4.75 114.28 100.77 1snr n THR 92 Ca 0.08 -0.58 -0.29 0.00 -2.27 0.00 0.00 64.05 60.99 1snr n THR 92 Cb 0.55 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 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 -4.84 3.14 0.36 3.22 1.43 -1.26 -4.88 118.68 115.85 1snr s LEU 93 Ca -0.07 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 1snr s LEU 93 Cb 0.07 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 1snr s LEU 93 CO 0.67 0.14 1.09 -0.32 0.23 0.00 0.00 176.35 178.16 1snr s MET 94 N -2.50 4.30 0.17 1.70 -2.45 -1.26 -4.13 119.30 115.12 1snr s MET 94 Ca 0.24 1.67 0.00 0.00 -1.25 0.00 0.00 55.69 56.35 1snr s MET 94 Cb -0.10 -2.78 -0.04 0.00 1.25 0.00 0.00 34.83 33.16 1snr s MET 94 CO 0.16 -0.06 0.05 -1.01 1.05 0.00 0.00 175.02 175.20 1snr s HIS 95 N -1.45 1.09 0.00 4.11 0.09 -0.81 -4.89 115.29 113.43 1snr s HIS 95 Ca 0.53 -1.17 0.00 0.00 -0.00 0.00 0.00 55.06 54.42 1snr s HIS 95 Cb -0.27 -0.61 0.00 0.00 -0.00 0.00 0.00 32.58 31.70 1snr s HIS 95 CO 0.34 -0.40 0.00 0.27 -0.00 0.00 0.00 174.74 174.95 1snr n ASN 96 N -0.21 0.00 -3.75 1.40 6.94 -1.26 -0.94 115.26 117.44 1snr n ASN 96 Ca -0.04 -0.49 -0.12 0.00 -0.02 0.00 0.00 54.58 53.90 1snr n ASN 96 Cb 0.64 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.94 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 -2.59 -0.02 -0.25 1.53 2.07 -1.26 -4.19 121.20 116.50 1snr s ILE 97 Ca 0.00 0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.29 1snr s ILE 97 Cb 0.00 -0.41 0.03 0.00 0.13 0.00 0.00 42.46 42.21 1snr s ILE 97 CO 0.00 0.02 -0.08 -0.62 -1.91 0.00 0.00 174.94 172.35 1snr s ASP 98 N 0.63 4.24 -0.35 4.50 3.68 0.52 -1.34 116.67 128.55 1snr s ASP 98 Ca -0.04 -0.94 -0.18 0.00 2.13 0.00 0.00 52.55 53.52 1snr s ASP 98 Cb -0.05 -1.63 -0.00 0.00 -1.45 0.00 0.00 42.92 39.78 1snr s ASP 98 CO -0.04 -0.13 0.53 -0.36 0.13 0.00 0.00 175.17 175.30 1snr s PHE 99 N 1.29 3.18 0.59 -5.34 0.40 0.21 -1.08 117.98 117.22 1snr s PHE 99 Ca -0.01 0.22 0.43 0.00 -0.60 0.00 0.00 56.93 56.97 1snr s PHE 99 Cb -0.17 -2.94 2.30 0.00 0.51 0.00 0.00 43.02 42.72 1snr s PHE 99 CO -0.05 -0.54 2.32 0.45 0.70 0.00 0.00 175.22 178.10 1snr h HIS 100 N 8.44 0.00 0.00 0.36 3.86 -1.51 -1.49 115.15 124.81 1snr h HIS 100 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1snr h HIS 100 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1snr h HIS 100 CO 0.73 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.52 1snr h ALA 101 N 2.00 1.00 -2.13 2.45 0.00 -1.90 -3.47 119.26 117.21 1snr h ALA 101 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 1snr h ALA 101 Cb 0.06 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.86 1snr h ALA 101 CO 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 179.25 179.08 1snr s ALA 102 N -3.43 3.77 -0.16 0.00 0.00 -0.56 -4.58 121.76 116.80 1snr s ALA 102 Ca 0.04 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1snr s ALA 102 Cb 0.07 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 21.13 1snr s ALA 102 CO 0.59 -0.16 -0.17 0.99 0.00 0.00 0.00 175.76 177.01 1snr s THR 103 N -2.40 1.82 0.00 0.00 2.01 -1.26 -4.72 115.64 111.09 1snr s THR 103 Ca 0.44 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1snr s THR 103 Cb -0.10 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.74 1snr s THR 103 CO 0.36 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 1snr n GLY 104 N 4.69 2.86 4.17 4.40 0.00 -1.26 -4.95 105.19 115.11 1snr n GLY 104 Ca -0.19 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 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 0.18 -1.85 -3.67 4.61 0.00 -1.26 -0.58 120.51 117.94 1snr n ALA 105 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 53.44 52.91 1snr n ALA 105 Cb 0.00 -1.56 0.06 0.00 0.00 0.00 0.00 19.45 17.95 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 -4.45 -3.24 -0.05 0.00 4.77 -1.26 -1.13 117.00 111.65 1snr n LEU 106 Ca -0.24 -0.68 -0.01 0.00 -0.03 0.00 0.00 56.01 55.05 1snr n LEU 106 Cb 0.65 -2.84 -0.00 0.00 -2.33 0.00 0.00 43.42 38.89 1snr n LEU 106 CO 0.82 0.50 -0.01 0.61 -1.33 0.00 0.00 177.39 177.98 1snr n GLY 107 N -1.65 0.36 0.00 -0.72 0.00 0.26 -2.30 105.19 101.13 1snr n GLY 107 Ca -0.11 -0.05 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 -1.41 2.41 0.33 -0.02 0.00 -0.28 -0.62 105.19 105.60 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 0.84 2.00 -0.02 0.00 -0.59 -1.56 103.07 103.74 1snr h GLY 109 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1snr h GLY 109 CO 0.00 0.29 0.00 -1.33 0.00 0.00 0.00 176.54 175.50 1snr h GLY 110 N 0.79 0.00 -0.65 4.60 0.00 -1.54 -3.15 103.07 103.12 1snr h GLY 110 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1snr h GLY 110 CO -0.05 0.00 -0.24 1.04 0.00 0.00 0.00 176.54 177.29 1snr n LEU 111 N -2.54 1.50 -0.30 3.11 4.77 -0.61 -4.68 117.00 118.25 1snr n LEU 111 Ca 0.01 -0.79 0.06 0.00 -0.03 0.00 0.00 56.01 55.26 1snr n LEU 111 Cb 0.21 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.40 1snr n LEU 111 CO 0.21 0.29 0.43 0.35 -1.33 0.00 0.00 177.39 177.34 1snr n THR 112 N -0.08 1.24 -2.14 -5.08 -2.24 -1.09 -4.95 114.28 99.94 1snr n THR 112 Ca 0.06 -1.57 -0.43 0.00 -2.27 0.00 0.00 64.05 59.84 1snr n THR 112 Cb 0.28 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.88 3.36 -0.15 -0.78 2.02 -1.25 -4.20 118.70 115.81 1snr s GLU 113 Ca 0.22 1.14 0.01 0.00 0.02 0.00 0.00 54.97 56.36 1snr s GLU 113 Cb 0.20 -4.15 0.02 0.00 0.10 0.00 0.00 34.13 30.30 1snr s GLU 113 CO 0.01 -1.83 -0.19 0.96 0.02 0.00 0.00 175.26 174.22 1snr s ILE 114 N 6.52 1.89 0.74 -1.63 -4.36 -0.12 -4.98 121.20 119.27 1snr s ILE 114 Ca 0.71 -0.85 -0.11 0.00 -0.26 0.00 0.00 60.65 60.14 1snr s ILE 114 Cb -0.18 -1.71 0.04 0.00 1.25 0.00 0.00 42.46 41.86 1snr s ILE 114 CO 0.32 0.51 1.09 0.20 0.24 0.00 0.00 174.94 177.30 1snr s ASN 115 N 1.18 5.02 0.16 4.36 0.02 -1.26 -1.93 114.94 122.49 1snr s ASN 115 Ca 0.01 1.32 -0.34 0.00 -1.02 0.00 0.00 52.86 52.83 1snr s ASN 115 Cb -0.14 -2.12 -0.15 0.00 0.02 0.00 0.00 41.25 38.87 1snr s ASN 115 CO -0.08 -1.63 1.42 -2.65 0.02 0.00 0.00 177.10 174.18 1snr n PRO 116 N -3.22 1.73 -0.44 -0.60 -0.02 -1.26 -1.23 135.00 129.96 1snr n PRO 116 Ca 0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1snr n PRO 116 Cb 0.56 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 2.72 0.76 3.46 -1.23 0.00 0.10 -4.70 105.19 106.30 1snr n GLY 117 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.56 1.65 0.22 1.61 2.02 -0.37 -4.89 118.70 118.38 1snr s GLU 118 Ca 0.00 -1.73 0.01 0.00 0.02 0.00 0.00 54.97 53.27 1snr s GLU 118 Cb 0.00 -1.77 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 1snr s GLU 118 CO 0.00 0.34 0.07 -1.59 0.02 0.00 0.00 175.26 174.10 1snr s LYS 119 N -3.40 1.28 0.08 1.61 -2.85 -1.26 -0.96 119.74 114.25 1snr s LYS 119 Ca 0.29 -1.67 -0.18 0.00 -1.00 0.00 0.00 55.97 53.41 1snr s LYS 119 Cb -0.05 -0.19 0.04 0.00 -2.06 0.00 0.00 37.83 35.57 1snr s LYS 119 CO 0.14 -0.25 0.43 -0.08 0.10 0.00 0.00 175.35 175.69 1snr s THR 120 N -3.78 0.06 -0.12 3.79 -1.32 -0.47 -5.00 115.64 108.79 1snr s THR 120 Ca 0.33 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1snr s THR 120 Cb 0.07 -1.05 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 1snr s THR 120 CO 0.10 -0.25 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.52 1snr s ILE 121 N -3.07 1.25 -0.09 5.08 1.01 -1.26 -0.87 121.20 123.25 1snr s ILE 121 Ca -0.02 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1snr s ILE 121 Cb 0.00 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1snr s ILE 121 CO -0.07 0.40 -0.14 -0.22 0.00 0.00 0.00 174.94 174.92 1snr s LEU 122 N 1.54 2.74 -0.05 2.97 2.96 -0.40 -4.97 118.68 123.47 1snr s LEU 122 Ca 0.03 -0.25 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1snr s LEU 122 Cb -0.13 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1snr s LEU 122 CO -0.08 0.26 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.39 1snr s ARG 123 N -0.21 2.46 0.03 1.98 3.52 -1.26 -0.71 118.95 124.75 1snr s ARG 123 Ca 0.01 -0.84 -0.02 0.00 -0.13 0.00 0.00 55.73 54.75 1snr s ARG 123 Cb -0.13 -2.22 -0.02 0.00 -1.56 0.00 0.00 34.95 31.02 1snr s ARG 123 CO 0.03 0.49 0.01 -0.59 -0.81 0.00 0.00 175.30 174.43 1snr s PHE 124 N -0.43 0.28 -0.10 5.12 -0.12 -0.54 -4.99 117.98 117.20 1snr s PHE 124 Ca 0.04 -0.59 -0.23 0.00 -0.05 0.00 0.00 56.93 56.10 1snr s PHE 124 Cb -0.12 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 1snr s PHE 124 CO 0.01 -0.27 0.72 0.21 -0.05 0.00 0.00 175.22 175.84 1snr s LYS 125 N -2.15 4.38 -1.23 1.99 2.20 -1.26 -0.88 119.74 122.79 1snr s LYS 125 Ca -0.09 0.88 -0.16 0.00 -0.36 0.00 0.00 55.97 56.24 1snr s LYS 125 Cb -0.05 -3.49 0.13 0.00 -1.51 0.00 0.00 37.83 32.91 1snr s LYS 125 CO -0.03 -0.05 1.55 0.00 -0.36 0.00 0.00 175.35 176.45 1snr s ALA 126 N 1.21 3.67 -0.58 3.13 0.00 -0.04 -4.77 121.76 124.36 1snr s ALA 126 Ca 0.37 -3.13 0.25 0.00 0.00 0.00 0.00 51.96 49.44 1snr s ALA 126 Cb -0.17 -4.35 0.58 0.00 0.00 0.00 0.00 23.12 19.18 1snr s ALA 126 CO 0.16 -3.02 1.69 1.79 0.00 0.00 0.00 175.76 176.39 1snr h THR 127 N 5.13 0.00 -4.00 0.00 1.35 -1.85 0.62 112.91 114.17 1snr h THR 127 Ca 0.36 -0.74 -0.52 0.00 -0.55 0.00 0.00 66.41 64.97 1snr h THR 127 Cb 0.88 1.74 -0.31 0.00 -1.73 0.00 0.00 68.15 68.73 1snr h THR 127 CO 1.33 0.00 -0.82 -0.54 -0.25 0.00 0.00 175.52 175.24 1snr s LYS 128 N -3.16 1.44 0.11 4.72 1.02 -1.26 -4.73 119.74 117.88 1snr s LYS 128 Ca 0.09 -0.53 -0.26 0.00 0.02 0.00 0.00 55.97 55.30 1snr s LYS 128 Cb 0.09 -1.30 -0.07 0.00 -0.52 0.00 0.00 37.83 36.03 1snr s LYS 128 CO 0.63 0.24 0.79 -1.25 -0.92 0.00 0.00 175.35 174.85 1snr s PRO 129 N -0.06 4.56 0.00 -1.68 0.04 -1.26 -4.81 135.00 131.80 1snr s PRO 129 Ca -0.01 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1snr s PRO 129 Cb -0.09 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1snr s PRO 129 CO 0.01 0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.87 1snr n GLY 130 N 1.98 -0.19 3.86 0.56 0.00 0.07 -1.94 105.19 109.53 1snr n GLY 130 Ca -0.03 -1.32 -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 -1.96 5.33 -0.02 1.61 -7.23 0.77 -0.16 120.40 118.74 1snr s VAL 131 Ca 0.00 0.44 -0.02 0.00 -1.81 0.00 0.00 61.98 60.60 1snr s VAL 131 Cb 0.00 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1snr s VAL 131 CO 0.00 0.60 0.05 -0.36 -0.31 0.00 0.00 175.10 175.08 1snr s PHE 132 N -1.02 -0.05 0.48 2.82 0.08 -0.25 -4.46 117.98 115.58 1snr s PHE 132 Ca 0.18 0.13 -0.22 0.00 0.12 0.00 0.00 56.93 57.14 1snr s PHE 132 Cb -0.14 0.02 -0.07 0.00 -0.57 0.00 0.00 43.02 42.26 1snr s PHE 132 CO 0.07 -0.03 1.18 0.08 -0.10 0.00 0.00 175.22 176.43 1snr s VAL 133 N 0.02 2.99 0.12 -0.44 1.01 -1.26 -0.53 120.40 122.30 1snr s VAL 133 Ca -0.00 0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1snr s VAL 133 Cb -0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1snr s VAL 133 CO 0.00 -0.03 -0.20 -0.72 0.00 0.00 0.00 175.10 174.16 1snr s TYR 134 N -1.54 1.77 0.07 5.22 -0.85 -0.64 -1.36 117.35 120.01 1snr s TYR 134 Ca 0.66 -0.44 -0.26 0.00 -0.52 0.00 0.00 57.07 56.50 1snr s TYR 134 Cb -0.29 -0.94 0.08 0.00 0.38 0.00 0.00 41.96 41.18 1snr s TYR 134 CO 0.35 0.24 0.67 -3.38 -1.52 0.00 0.00 175.55 171.91 1snr s HIS 135 N -1.48 -0.55 0.52 -3.49 -3.43 -0.24 -0.89 115.29 105.73 1snr s HIS 135 Ca 0.09 0.57 -0.20 0.00 -0.80 0.00 0.00 55.06 54.72 1snr s HIS 135 Cb -0.08 0.51 -0.06 0.00 -1.43 0.00 0.00 32.58 31.51 1snr s HIS 135 CO 0.05 -0.73 1.14 0.00 -2.00 0.00 0.00 174.74 173.20 1snr n ALA 137 N -1.10 -0.38 -2.24 0.00 0.00 -1.26 -4.51 120.51 111.01 1snr n ALA 137 Ca 0.11 -1.89 -0.42 0.00 0.00 0.00 0.00 53.44 51.24 1snr n ALA 137 Cb 0.50 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 0.05 4.31 0.16 0.00 0.02 -1.26 -4.85 135.00 133.42 1snr s PRO 138 Ca 0.31 1.96 -0.34 0.00 0.02 0.00 0.00 61.00 62.95 1snr s PRO 138 Cb 0.25 -3.46 -0.15 0.00 0.02 0.00 0.00 34.50 31.15 1snr s PRO 138 CO -0.16 -0.50 1.35 -2.30 -0.33 0.00 0.00 177.00 175.06 1snr n PRO 139 N 4.83 1.53 -0.24 5.54 -0.02 -1.26 -0.91 135.00 144.47 1snr n PRO 139 Ca 0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1snr n PRO 139 Cb 0.44 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 2.47 2.18 1.51 -1.23 0.00 -1.26 -4.80 105.19 104.07 1snr n GLY 140 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 0.24 0.35 1.61 2.81 -0.08 -4.97 117.12 115.08 1snr n MET 141 Ca 0.00 -2.20 -0.17 0.00 -1.81 0.00 0.00 57.70 53.53 1snr n MET 141 Cb 0.00 -0.22 -0.09 0.00 -0.71 0.00 0.00 33.22 32.20 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 6.45 0.29 -0.25 2.03 2.07 -1.82 -2.76 116.25 122.26 1snr h VAL 142 Ca -0.20 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1snr h VAL 142 Cb 1.80 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1snr h VAL 142 CO 0.10 0.02 0.02 1.55 0.02 0.00 0.00 177.57 179.28 1snr h PRO 143 N -1.01 0.36 -0.41 1.57 0.13 -1.92 -2.46 132.00 128.27 1snr h PRO 143 Ca -0.09 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1snr h PRO 143 Cb 0.71 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1snr h PRO 143 CO 0.15 0.38 0.24 2.35 -0.23 0.00 0.00 178.00 180.89 1snr h TRP 144 N 0.36 0.54 -0.53 1.56 7.01 -1.94 0.34 115.95 123.29 1snr h TRP 144 Ca 0.08 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 1snr h TRP 144 Cb 0.21 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 1snr h TRP 144 CO 0.01 0.39 0.05 0.45 -2.79 0.00 0.00 178.44 176.54 1snr h HIS 145 N 0.53 0.98 -0.31 2.65 3.86 -1.18 -2.11 115.15 119.57 1snr h HIS 145 Ca 0.15 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1snr h HIS 145 Cb 0.01 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 1snr h HIS 145 CO -0.03 0.89 0.12 0.28 0.86 0.00 0.00 177.93 180.04 1snr h VAL 146 N 0.79 1.19 -0.01 2.45 2.07 -1.02 -2.14 116.25 119.59 1snr h VAL 146 Ca 0.16 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1snr h VAL 146 Cb 0.46 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1snr h VAL 146 CO 0.02 0.20 0.00 1.33 0.02 0.00 0.00 177.57 179.14 1snr n VAL 147 N -4.71 0.01 0.84 2.57 0.24 0.07 -1.61 118.33 115.74 1snr n VAL 147 Ca -0.02 -0.05 0.08 0.00 -2.04 0.00 0.00 64.34 62.31 1snr n VAL 147 Cb 0.15 -0.30 0.23 0.00 -1.47 0.00 0.00 33.84 32.45 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 -0.76 2.07 0.00 -1.34 7.64 -0.80 -4.64 113.62 115.79 1snr n SER 148 Ca 0.22 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 58.18 1snr n SER 148 Cb 0.14 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 1.15 0.88 2.87 0.23 0.00 -0.63 -1.48 105.19 108.21 1snr n GLY 149 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.15 3.67 -3.49 1.61 0.00 -0.92 -4.52 117.12 111.33 1snr n MET 150 Ca 0.00 -3.58 -0.15 0.00 0.00 0.00 0.00 57.70 53.97 1snr n MET 150 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 33.22 30.27 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 0.73 -0.61 0.00 6.12 2.20 -1.26 -1.65 114.94 120.46 1snr s ASN 151 Ca 0.39 0.44 0.00 0.00 -0.94 0.00 0.00 52.86 52.75 1snr s ASN 151 Cb 0.09 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.89 1snr s ASN 151 CO 0.01 -0.73 0.00 0.61 -2.94 0.00 0.00 177.10 174.05 1snr n GLY 152 N 0.42 3.73 3.34 0.45 0.00 -0.07 -0.68 105.19 112.37 1snr n GLY 152 Ca -0.18 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.16 -0.73 0.27 4.61 0.00 -1.26 -1.62 121.76 121.86 1snr s ALA 153 Ca 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 51.80 1snr s ALA 153 Cb 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 1snr s ALA 153 CO 0.00 -0.65 -0.14 0.96 0.00 0.00 0.00 175.76 175.93 1snr s ILE 154 N -3.84 2.08 -0.13 0.00 -4.36 0.31 -3.01 121.20 112.25 1snr s ILE 154 Ca 0.06 -2.27 0.02 0.00 -0.26 0.00 0.00 60.65 58.20 1snr s ILE 154 Cb 0.02 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.42 1snr s ILE 154 CO -0.09 -0.40 -0.19 -0.32 0.24 0.00 0.00 174.94 174.19 1snr s MET 155 N -3.61 2.65 -0.53 0.37 -2.45 0.35 -1.09 119.30 114.99 1snr s MET 155 Ca 0.28 -0.72 -0.08 0.00 -1.25 0.00 0.00 55.69 53.93 1snr s MET 155 Cb -0.01 -2.19 0.14 0.00 1.25 0.00 0.00 34.83 34.02 1snr s MET 155 CO 0.13 -0.05 0.39 0.08 1.05 0.00 0.00 175.02 176.62 1snr s VAL 156 N 0.93 4.16 0.45 10.11 1.01 0.77 -1.19 120.40 136.63 1snr s VAL 156 Ca -0.06 -2.11 -0.22 0.00 0.00 0.00 0.00 61.98 59.59 1snr s VAL 156 Cb -0.15 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 1snr s VAL 156 CO -0.02 -0.81 1.08 -0.76 0.00 0.00 0.00 175.10 174.58 1snr s LEU 157 N 0.94 3.99 0.61 3.92 1.43 -0.08 -0.75 118.68 128.75 1snr s LEU 157 Ca 0.09 2.07 -0.19 0.00 -1.03 0.00 0.00 54.13 55.07 1snr s LEU 157 Cb -0.23 -4.34 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 1snr s LEU 157 CO -0.02 -0.72 1.29 -2.65 0.23 0.00 0.00 176.35 174.48 1snr n PRO 158 N -0.52 1.29 0.27 1.29 -0.02 -1.26 -0.61 135.00 135.44 1snr n PRO 158 Ca 0.07 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 1snr n PRO 158 Cb 0.50 -2.52 0.75 0.00 -0.02 0.00 0.00 33.50 32.20 1snr n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1snr h ARG 159 N 0.82 0.00 -0.64 -0.52 3.08 -1.88 -1.15 114.38 114.08 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 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1snr h ARG 159 CO 0.54 0.02 0.00 0.39 -1.07 0.00 0.00 179.97 179.85 1snr n GLU 160 N -4.21 4.06 -0.12 0.04 -0.58 -1.26 -0.50 120.64 118.07 1snr n GLU 160 Ca -0.03 -2.63 0.02 0.00 -0.42 0.00 0.00 57.16 54.10 1snr n GLU 160 Cb 0.10 -2.06 -0.00 0.00 -0.57 0.00 0.00 31.44 28.91 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 0.68 -2.00 3.84 0.62 0.00 -0.44 -4.76 105.19 103.13 1snr n GLY 161 Ca 0.23 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 0.04 0.99 1.43 -1.26 -4.45 118.68 119.28 1snr s LEU 162 Ca 0.00 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1snr s LEU 162 Cb 0.00 -4.41 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 1snr s LEU 162 CO 0.00 -0.42 -0.04 -1.00 0.23 0.00 0.00 176.35 175.12 1snr s HIS 163 N -2.32 0.45 0.68 0.29 3.76 -1.26 -1.54 115.29 115.35 1snr s HIS 163 Ca 0.59 -0.72 -0.12 0.00 -0.15 0.00 0.00 55.06 54.67 1snr s HIS 163 Cb -0.10 -0.31 0.16 0.00 1.11 0.00 0.00 32.58 33.45 1snr s HIS 163 CO 0.21 -0.23 0.85 -0.40 -0.85 0.00 0.00 174.74 174.33 1snr n ASP 164 N 1.01 -0.27 0.09 1.40 3.85 0.40 -4.84 116.55 118.18 1snr n ASP 164 Ca -0.20 -1.25 0.11 0.00 -0.71 0.00 0.00 54.79 52.74 1snr n ASP 164 Cb 0.57 -0.67 0.44 0.00 -1.35 0.00 0.00 41.12 40.11 1snr n ASP 164 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1snr n GLY 165 N -1.05 -1.25 1.12 6.12 0.00 -1.26 -2.19 105.19 106.68 1snr n GLY 165 Ca 0.11 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.01 2.70 -0.82 1.61 5.02 -1.26 -4.98 118.16 118.42 1snr n LYS 166 Ca 0.03 -2.43 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 1snr n LYS 166 Cb 0.24 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1snr n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1snr n GLY 167 N 1.31 0.71 3.75 0.72 0.00 -0.93 -5.04 105.19 105.71 1snr n GLY 167 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1snr n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snr s LYS 168 N -0.18 4.66 0.37 1.61 -0.14 -1.26 -4.78 119.74 120.03 1snr s LYS 168 Ca 0.00 1.71 -0.28 0.00 -1.36 0.00 0.00 55.97 56.04 1snr s LYS 168 Cb 0.00 -3.25 -0.10 0.00 -1.68 0.00 0.00 37.83 32.80 1snr s LYS 168 CO 0.00 0.21 1.37 0.00 -0.76 0.00 0.00 175.35 176.17 1snr s ALA 169 N -0.76 3.45 -0.25 5.17 0.00 -1.26 -0.45 121.76 127.65 1snr s ALA 169 Ca 0.46 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.81 1snr s ALA 169 Cb -0.30 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.35 1snr s ALA 169 CO 0.37 -0.86 -0.09 -0.51 0.00 0.00 0.00 175.76 174.67 1snr s LEU 170 N -2.11 3.14 -0.22 0.00 1.43 -0.59 -4.79 118.68 115.54 1snr s LEU 170 Ca 0.53 -1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1snr s LEU 170 Cb -0.42 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1snr s LEU 170 CO 0.56 -0.21 -0.09 -0.89 0.23 0.00 0.00 176.35 175.95 1snr s THR 171 N 1.20 2.85 0.38 5.49 2.01 -1.26 -4.07 115.64 122.24 1snr s THR 171 Ca -0.08 -0.82 -0.14 0.00 0.31 0.00 0.00 61.69 60.96 1snr s THR 171 Cb -0.20 -2.34 -0.08 0.00 0.01 0.00 0.00 72.50 69.89 1snr s THR 171 CO -0.05 0.36 0.80 -0.72 -0.69 0.00 0.00 174.62 174.31 1snr s TYR 172 N 1.37 3.41 0.01 4.92 -0.85 -1.26 -4.87 117.35 120.07 1snr s TYR 172 Ca 0.03 1.23 0.10 0.00 -0.52 0.00 0.00 57.07 57.91 1snr s TYR 172 Cb -0.15 -2.56 -0.23 0.00 0.38 0.00 0.00 41.96 39.40 1snr s TYR 172 CO -0.06 -0.04 0.85 -0.44 -1.52 0.00 0.00 175.55 174.33 1snr h ASP 173 N 1.74 0.02 -5.16 -0.18 3.32 -0.94 -3.48 116.42 111.73 1snr h ASP 173 Ca -0.48 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 1snr h ASP 173 Cb 1.18 -0.01 -0.12 0.00 0.22 0.00 0.00 39.33 40.61 1snr h ASP 173 CO 0.64 1.02 -0.14 -1.59 -1.72 0.00 0.00 179.24 177.45 1snr s LYS 174 N -2.63 1.23 -0.01 3.56 -2.85 -1.04 -5.02 119.74 112.97 1snr s LYS 174 Ca -0.03 -0.98 0.01 0.00 -1.00 0.00 0.00 55.97 53.97 1snr s LYS 174 Cb 0.09 0.45 -0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1snr s LYS 174 CO 0.82 -0.49 -0.05 -1.50 0.10 0.00 0.00 175.35 174.24 1snr s ILE 175 N -3.90 0.38 0.10 3.79 2.07 -1.26 -1.39 121.20 120.99 1snr s ILE 175 Ca 0.11 -0.19 0.08 0.00 -1.41 0.00 0.00 60.65 59.24 1snr s ILE 175 Cb 0.01 -0.34 -0.03 0.00 0.13 0.00 0.00 42.46 42.23 1snr s ILE 175 CO -0.03 0.12 -0.19 -0.31 -1.91 0.00 0.00 174.94 172.61 1snr s TYR 176 N -0.00 1.66 -0.25 3.50 2.02 -0.47 -4.53 117.35 119.28 1snr s TYR 176 Ca 0.01 -0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1snr s TYR 176 Cb -0.03 -0.91 0.04 0.00 -0.40 0.00 0.00 41.96 40.65 1snr s TYR 176 CO -0.00 0.18 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.61 1snr s TYR 177 N -1.21 3.13 -0.43 2.71 5.04 0.01 -0.82 117.35 125.77 1snr s TYR 177 Ca 0.05 -1.84 -0.12 0.00 -2.44 0.00 0.00 57.07 52.72 1snr s TYR 177 Cb -0.10 -2.02 0.06 0.00 0.35 0.00 0.00 41.96 40.26 1snr s TYR 177 CO 0.04 -0.79 0.31 0.08 -1.34 0.00 0.00 175.55 173.85 1snr s VAL 178 N 1.25 4.77 -0.18 3.14 1.01 0.36 -4.19 120.40 126.56 1snr s VAL 178 Ca -0.03 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 1snr s VAL 178 Cb -0.18 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1snr s VAL 178 CO -0.05 -0.48 0.53 -0.83 0.00 0.00 0.00 175.10 174.26 1snr s GLY 179 N 2.21 2.17 -0.17 4.51 0.00 -1.26 -1.91 107.32 112.86 1snr s GLY 179 Ca 0.03 -0.32 -0.07 0.00 0.00 0.00 0.00 44.72 44.37 1snr s GLY 179 CO 0.05 1.03 0.06 1.85 0.00 0.00 0.00 173.10 176.09 1snr s GLU 180 N 1.39 3.87 -0.12 2.90 2.12 -0.61 -2.02 118.70 126.23 1snr s GLU 180 Ca 0.25 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.26 1snr s GLU 180 Cb -0.15 -3.17 0.02 0.00 0.26 0.00 0.00 34.13 31.08 1snr s GLU 180 CO 0.10 0.34 -0.16 -1.14 -0.54 0.00 0.00 175.26 173.86 1snr s GLN 181 N 0.19 2.34 -0.18 4.30 2.00 0.50 -4.50 119.66 124.31 1snr s GLN 181 Ca 0.04 -0.60 -0.22 0.00 -2.00 0.00 0.00 55.36 52.58 1snr s GLN 181 Cb -0.12 -2.00 -0.02 0.00 0.80 0.00 0.00 33.01 31.67 1snr s GLN 181 CO 0.01 -0.08 0.67 0.16 -0.50 0.00 0.00 175.29 175.54 1snr s ASP 182 N 1.04 6.75 0.15 6.67 3.84 -1.26 -1.00 116.67 132.86 1snr s ASP 182 Ca -0.05 0.92 0.08 0.00 -0.00 0.00 0.00 52.55 53.50 1snr s ASP 182 Cb -0.15 -2.37 -0.04 0.00 -1.38 0.00 0.00 42.92 38.98 1snr s ASP 182 CO -0.03 -0.28 -0.10 -0.36 -0.00 0.00 0.00 175.17 174.40 1snr s PHE 183 N 1.85 2.68 -0.54 2.11 0.08 -0.12 -4.75 117.98 119.29 1snr s PHE 183 Ca 0.31 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.21 1snr s PHE 183 Cb -0.16 -1.35 0.17 0.00 -0.57 0.00 0.00 43.02 41.11 1snr s PHE 183 CO 0.11 0.47 0.41 0.71 -0.10 0.00 0.00 175.22 176.82 1snr s TYR 184 N -1.47 2.20 -0.24 0.36 1.51 -1.26 -0.97 117.35 117.48 1snr s TYR 184 Ca 0.23 -2.78 -0.16 0.00 -1.01 0.00 0.00 57.07 53.35 1snr s TYR 184 Cb -0.10 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.00 1snr s TYR 184 CO 0.14 -0.70 0.39 0.08 -1.11 0.00 0.00 175.55 174.36 1snr s VAL 185 N -0.62 5.18 0.57 0.71 1.01 -1.26 -4.77 120.40 121.22 1snr s VAL 185 Ca 0.29 0.65 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 1snr s VAL 185 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1snr s VAL 185 CO -0.18 0.19 1.34 -2.84 0.00 0.00 0.00 175.10 173.61 1snr s PRO 186 N 1.74 2.98 0.20 2.72 0.02 -1.26 -4.89 135.00 136.52 1snr s PRO 186 Ca 0.17 2.18 0.10 0.00 0.02 0.00 0.00 61.00 63.48 1snr s PRO 186 Cb -0.15 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1snr s PRO 186 CO 0.09 -1.30 -0.17 1.03 -0.33 0.00 0.00 177.00 176.32 1snr s ARG 187 N -3.04 1.79 0.84 5.54 0.52 -1.26 -0.96 118.95 122.38 1snr s ARG 187 Ca 0.75 -1.45 -0.06 0.00 -0.52 0.00 0.00 55.73 54.44 1snr s ARG 187 Cb -0.40 -1.97 0.18 0.00 0.52 0.00 0.00 34.95 33.28 1snr s ARG 187 CO 0.45 0.40 1.15 0.16 0.02 0.00 0.00 175.30 177.48 1snr s ASP 188 N -2.90 3.67 0.31 0.23 1.47 0.02 -4.85 116.67 114.62 1snr s ASP 188 Ca 0.24 -0.27 0.25 0.00 1.18 0.00 0.00 52.55 53.95 1snr s ASP 188 Cb -0.08 0.13 1.11 0.00 -0.34 0.00 0.00 42.92 43.74 1snr s ASP 188 CO 0.13 -2.34 1.75 1.05 0.68 0.00 0.00 175.17 176.44 1snr h GLU 189 N -1.04 0.00 -0.15 2.11 4.11 -2.02 -0.73 114.58 116.87 1snr h GLU 189 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 1snr h GLU 189 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1snr h GLU 189 CO 0.35 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.52 1snr n ASN 190 N -2.36 1.60 0.00 3.06 3.02 -1.26 -4.94 115.26 114.38 1snr n ASN 190 Ca 0.01 -1.68 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 1snr n ASN 190 Cb 0.19 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1snr n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1snr n GLY 191 N 1.12 0.61 3.77 7.41 0.00 -0.28 -5.04 105.19 112.79 1snr n GLY 191 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1snr n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snr s LYS 192 N -0.10 4.38 0.31 1.61 3.01 -1.26 -4.80 119.74 122.90 1snr s LYS 192 Ca 0.00 0.90 -0.29 0.00 -1.01 0.00 0.00 55.97 55.57 1snr s LYS 192 Cb 0.00 -3.30 -0.10 0.00 -1.01 0.00 0.00 37.83 33.41 1snr s LYS 192 CO 0.00 0.46 1.38 0.71 0.51 0.00 0.00 175.35 178.41 1snr s TYR 193 N -0.59 2.95 0.36 3.18 1.51 -1.26 -0.80 117.35 122.69 1snr s TYR 193 Ca 0.33 1.24 -0.11 0.00 -1.01 0.00 0.00 57.07 57.52 1snr s TYR 193 Cb -0.20 -3.79 -0.07 0.00 -0.11 0.00 0.00 41.96 37.79 1snr s TYR 193 CO 0.21 -2.34 0.72 0.15 -1.11 0.00 0.00 175.55 173.18 1snr s LYS 194 N -1.40 3.82 0.14 -0.62 1.02 -0.13 -4.86 119.74 117.72 1snr s LYS 194 Ca 0.53 0.45 0.10 0.00 0.02 0.00 0.00 55.97 57.07 1snr s LYS 194 Cb -0.42 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 1snr s LYS 194 CO 0.52 0.07 -0.22 0.15 -0.92 0.00 0.00 175.35 174.95 1snr s LYS 195 N -3.50 1.62 0.05 1.68 1.02 -1.26 -4.75 119.74 114.60 1snr s LYS 195 Ca 0.51 -1.32 0.02 0.00 0.02 0.00 0.00 55.97 55.20 1snr s LYS 195 Cb -0.10 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 1snr s LYS 195 CO 0.27 0.45 -0.08 0.71 -0.92 0.00 0.00 175.35 175.78 1snr s TYR 196 N -1.29 0.72 0.07 3.18 2.02 -1.26 -5.07 117.35 115.72 1snr s TYR 196 Ca 0.18 -0.58 -0.16 0.00 -0.37 0.00 0.00 57.07 56.15 1snr s TYR 196 Cb -0.10 -0.43 -0.17 0.00 -0.40 0.00 0.00 41.96 40.86 1snr s TYR 196 CO 0.09 -0.09 1.25 0.93 -1.57 0.00 0.00 175.55 176.16 1snr h GLU 197 N 4.20 0.65 -4.78 -0.62 5.08 -2.01 -3.47 114.58 113.63 1snr h GLU 197 Ca -0.36 -0.54 -0.28 0.00 -1.00 0.00 0.00 59.36 57.18 1snr h GLU 197 Cb 1.19 0.12 -0.18 0.00 0.50 0.00 0.00 28.75 30.38 1snr h GLU 197 CO 0.45 1.16 -0.73 0.00 -1.00 0.00 0.00 179.01 178.89 1snr s ALA 198 N -3.68 0.93 0.22 3.43 0.00 -1.26 -5.06 121.76 116.34 1snr s ALA 198 Ca -0.12 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.66 1snr s ALA 198 Cb 0.07 0.06 0.31 0.00 0.00 0.00 0.00 23.12 23.56 1snr s ALA 198 CO 0.86 -0.08 1.78 -1.35 0.00 0.00 0.00 175.76 176.98 1snr h PRO 199 N 3.70 0.59 -0.04 0.00 0.11 -1.95 -2.06 132.00 132.35 1snr h PRO 199 Ca -0.36 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 1snr h PRO 199 Cb 1.19 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1snr h PRO 199 CO 0.52 0.39 -0.08 0.78 -0.21 0.00 0.00 178.00 179.40 1snr h GLY 200 N 0.61 0.06 2.00 -0.55 0.00 -2.00 -2.00 103.07 101.18 1snr h GLY 200 Ca 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1snr h GLY 200 CO -0.25 0.03 -0.03 -0.55 0.00 0.00 0.00 176.54 175.74 1snr h ASP 201 N 0.05 0.00 0.44 0.19 3.45 -1.79 -2.08 116.42 116.68 1snr h ASP 201 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1snr h ASP 201 Cb 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1snr h ASP 201 CO 0.01 0.03 -0.30 0.00 -1.57 0.00 0.00 179.24 177.41 1snr n ALA 202 N -2.42 3.13 0.27 3.45 0.00 -0.75 -4.60 120.51 119.59 1snr n ALA 202 Ca -0.03 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 1snr n ALA 202 Cb 0.11 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 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 0.49 -1.00 -0.51 0.00 5.03 -1.44 -0.32 116.97 119.22 1snr h TYR 203 Ca 0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1snr h TYR 203 Cb 0.48 0.38 -0.02 0.00 1.55 0.00 0.00 36.73 39.11 1snr h TYR 203 CO 0.00 -0.54 0.30 0.93 -1.32 0.00 0.00 178.16 177.53 1snr h GLU 204 N -0.82 0.70 -0.43 1.82 5.08 -1.81 -0.68 114.58 118.44 1snr h GLU 204 Ca -0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1snr h GLU 204 Cb 0.71 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1snr h GLU 204 CO -0.02 0.52 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.05 1snr h ASP 205 N 0.68 0.68 -0.27 1.42 3.45 -1.83 -2.62 116.42 117.93 1snr h ASP 205 Ca 0.18 -0.16 -0.15 0.00 0.43 0.00 0.00 57.03 57.33 1snr h ASP 205 Cb 0.01 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.60 1snr h ASP 205 CO -0.03 0.76 -0.41 0.74 -1.57 0.00 0.00 179.24 178.74 1snr h THR 206 N 0.66 1.30 -0.55 0.35 2.02 -0.54 -2.87 112.91 113.29 1snr h THR 206 Ca 0.13 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 1snr h THR 206 Cb 0.45 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 1snr h THR 206 CO 0.02 0.51 0.27 0.58 0.37 0.00 0.00 175.52 177.27 1snr h VAL 207 N 0.50 1.18 -0.58 3.16 2.07 -1.01 -0.14 116.25 121.44 1snr h VAL 207 Ca 0.03 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1snr h VAL 207 Cb 1.00 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1snr h VAL 207 CO 0.09 0.21 0.38 0.50 0.02 0.00 0.00 177.57 178.77 1snr h LYS 208 N 0.76 0.75 -0.48 1.57 3.64 -1.33 -0.83 116.57 120.67 1snr h LYS 208 Ca 0.19 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1snr h LYS 208 Cb 0.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1snr h LYS 208 CO -0.03 0.50 0.12 0.28 -2.27 0.00 0.00 179.45 178.05 1snr h VAL 209 N 0.78 1.24 -0.91 2.00 2.07 -1.15 -3.06 116.25 117.22 1snr h VAL 209 Ca 0.21 -0.83 0.08 0.00 0.82 0.00 0.00 66.70 66.98 1snr h VAL 209 Cb -0.08 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 1snr h VAL 209 CO -0.05 0.30 0.57 0.24 0.02 0.00 0.00 177.57 178.64 1snr h MET 210 N 0.65 0.96 0.00 1.57 2.86 -0.53 -1.80 114.93 118.63 1snr h MET 210 Ca 0.15 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1snr h MET 210 Cb 0.32 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1snr h MET 210 CO 0.00 0.64 0.00 0.54 1.06 0.00 0.00 176.91 179.15 1snr n ARG 211 N -4.62 0.21 0.09 1.72 1.74 -0.36 -0.69 116.66 114.75 1snr n ARG 211 Ca 0.14 0.43 0.12 0.00 -0.77 0.00 0.00 57.85 57.77 1snr n ARG 211 Cb 0.23 -1.89 0.45 0.00 -1.02 0.00 0.00 32.46 30.23 1snr n ARG 211 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1snr n THR 212 N -2.28 0.72 -1.86 0.55 -2.24 -0.68 -4.90 114.28 103.59 1snr n THR 212 Ca 0.02 0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.68 1snr n THR 212 Cb 0.23 -0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 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 -2.06 -1.63 -3.93 3.22 4.77 0.14 -4.94 117.00 112.57 1snr n LEU 213 Ca 0.04 0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 56.05 1snr n LEU 213 Cb 0.28 -2.85 -0.15 0.00 -2.33 0.00 0.00 43.42 38.37 1snr n LEU 213 CO 0.22 -0.79 -0.35 -0.89 -1.33 0.00 0.00 177.39 174.25 1snr s THR 214 N -2.83 1.74 0.60 -5.08 2.01 -1.26 -5.11 115.64 105.72 1snr s THR 214 Ca 0.00 -1.84 -0.19 0.00 0.31 0.00 0.00 61.69 59.98 1snr s THR 214 Cb 0.00 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1snr s THR 214 CO 0.00 -0.50 1.21 -2.16 -0.69 0.00 0.00 174.62 172.48 1snr s PRO 215 N 1.20 2.92 0.15 4.92 0.04 -1.26 -4.90 135.00 138.07 1snr s PRO 215 Ca 0.06 1.82 0.13 0.00 0.04 0.00 0.00 61.00 63.06 1snr s PRO 215 Cb -0.19 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1snr s PRO 215 CO -0.12 -1.24 1.18 1.79 0.04 0.00 0.00 177.00 178.64 1snr h THR 216 N 0.81 1.01 -3.48 1.26 1.35 -1.41 -3.47 112.91 108.98 1snr h THR 216 Ca -0.50 -2.54 -0.19 0.00 -0.55 0.00 0.00 66.41 62.63 1snr h THR 216 Cb 1.30 2.45 -0.25 0.00 -1.73 0.00 0.00 68.15 69.91 1snr h THR 216 CO 0.55 0.57 -0.57 -1.00 -0.25 0.00 0.00 175.52 174.82 1snr s HIS 217 N -2.85 -0.08 -0.18 4.73 3.76 -1.14 -4.88 115.29 114.64 1snr s HIS 217 Ca 0.01 0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 55.09 1snr s HIS 217 Cb 0.08 0.01 0.05 0.00 1.11 0.00 0.00 32.58 33.84 1snr s HIS 217 CO 0.79 -0.11 0.00 0.08 -0.85 0.00 0.00 174.74 174.65 1snr s VAL 218 N -0.29 0.75 0.14 -0.90 1.01 -0.38 -0.94 120.40 119.79 1snr s VAL 218 Ca -0.04 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1snr s VAL 218 Cb -0.03 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1snr s VAL 218 CO 0.00 -0.09 -0.10 0.68 0.00 0.00 0.00 175.10 175.59 1snr s VAL 219 N 1.77 1.14 -0.08 2.92 -7.23 -0.17 -0.78 120.40 117.97 1snr s VAL 219 Ca -0.01 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1snr s VAL 219 Cb -0.16 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1snr s VAL 219 CO -0.07 -0.69 0.03 -0.36 -0.31 0.00 0.00 175.10 173.70 1snr s PHE 220 N -3.08 3.25 -1.39 2.82 0.08 -1.26 -0.37 117.98 118.03 1snr s PHE 220 Ca 0.14 0.25 -0.08 0.00 0.12 0.00 0.00 56.93 57.36 1snr s PHE 220 Cb 0.01 -1.81 0.05 0.00 -0.57 0.00 0.00 43.02 40.71 1snr s PHE 220 CO 0.01 0.53 0.58 -1.71 -0.10 0.00 0.00 175.22 174.52 1snr n ASN 221 N 1.99 -4.56 0.00 1.36 4.05 -0.85 -3.12 115.26 114.13 1snr n ASN 221 Ca -0.18 -0.40 0.00 0.00 0.45 0.00 0.00 54.58 54.45 1snr n ASN 221 Cb 0.54 -3.72 0.00 0.00 1.23 0.00 0.00 39.78 37.83 1snr n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1snr n GLY 222 N -1.33 1.20 3.48 8.20 0.00 -1.00 -4.78 105.19 110.96 1snr n GLY 222 Ca -0.04 0.00 -0.13 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 -3.13 -1.73 0.24 4.61 0.00 -1.18 -4.70 121.76 115.86 1snr s ALA 223 Ca 0.00 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 52.60 1snr s ALA 223 Cb 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 23.12 23.36 1snr s ALA 223 CO 0.00 -0.59 1.63 0.28 0.00 0.00 0.00 175.76 177.08 1snr n VAL 224 N 0.15 0.52 -1.01 0.00 0.31 0.01 -2.09 118.33 116.21 1snr n VAL 224 Ca -0.15 -0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1snr n VAL 224 Cb 0.61 -1.89 -0.00 0.00 -0.91 0.00 0.00 33.84 31.65 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 2.99 0.33 0.27 2.92 0.00 -1.26 -4.84 105.19 105.59 1snr n GLY 225 Ca 0.13 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 1.61 -0.31 4.61 0.00 -1.62 -2.37 119.26 121.18 1snr h ALA 226 Ca -0.01 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1snr h ALA 226 Cb 0.42 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.06 1snr h ALA 226 CO 0.01 0.08 -0.41 1.28 0.00 0.00 0.00 179.25 180.21 1snr n LEU 227 N -4.05 3.81 -4.66 0.00 4.77 -1.26 -4.74 117.00 110.87 1snr n LEU 227 Ca -0.03 -4.09 -0.29 0.00 -0.03 0.00 0.00 56.01 51.57 1snr n LEU 227 Cb 0.15 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1snr n LEU 227 CO 0.31 1.54 -0.26 0.42 -1.33 0.00 0.00 177.39 178.08 1snr s THR 228 N -3.62 1.30 0.00 -5.08 -4.23 -0.89 -0.72 115.64 102.40 1snr s THR 228 Ca 0.44 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1snr s THR 228 Cb 0.40 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1snr s THR 228 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1snr n GLY 229 N -1.08 3.40 0.00 3.99 0.00 -1.26 -1.28 105.19 108.96 1snr n GLY 229 Ca -0.12 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.88 1snr n GLY 229 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1snr n ASP 230 N 5.99 0.00 -0.78 1.61 10.43 -1.26 -2.19 116.55 130.36 1snr n ASP 230 Ca 0.00 -0.10 0.08 0.00 2.57 0.00 0.00 54.79 57.35 1snr n ASP 230 Cb 0.00 -0.24 0.24 0.00 1.84 0.00 0.00 41.12 42.96 1snr n ASP 230 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1snr n LYS 231 N -1.24 2.75 -1.74 -1.24 5.02 -0.41 -5.00 118.16 116.30 1snr n LYS 231 Ca 0.10 -2.74 -0.38 0.00 -2.02 0.00 0.00 58.31 53.27 1snr n LYS 231 Cb 0.14 -1.76 0.05 0.00 -0.02 0.00 0.00 35.03 33.45 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 -0.53 1.48 -1.44 7.82 0.00 -0.93 -4.04 120.51 122.87 1snr n ALA 232 Ca 0.20 0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 1snr n ALA 232 Cb 0.82 -2.35 0.08 0.00 0.00 0.00 0.00 19.45 18.00 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 -3.07 2.38 0.12 0.00 -1.94 -0.37 -4.82 119.30 111.60 1snr s MET 233 Ca 0.76 0.93 0.05 0.00 -1.71 0.00 0.00 55.69 55.71 1snr s MET 233 Cb -0.40 -1.93 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 1snr s MET 233 CO 0.46 -1.49 -0.13 0.95 -0.01 0.00 0.00 175.02 174.81 1snr s THR 234 N -3.02 1.21 0.36 2.05 -4.23 -1.26 -0.27 115.64 110.48 1snr s THR 234 Ca 0.60 -1.71 -0.16 0.00 -1.18 0.00 0.00 61.69 59.24 1snr s THR 234 Cb -0.15 -1.49 0.06 0.00 1.34 0.00 0.00 72.50 72.25 1snr s THR 234 CO 0.55 -0.47 0.84 0.00 -0.54 0.00 0.00 174.62 175.00 1snr s ALA 235 N -2.28 -0.86 0.09 3.99 0.00 -0.82 -4.92 121.76 116.96 1snr s ALA 235 Ca 0.08 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.38 1snr s ALA 235 Cb -0.04 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 1snr s ALA 235 CO 0.02 -1.00 -0.13 0.00 0.00 0.00 0.00 175.76 174.66 1snr s ALA 236 N -2.20 1.19 0.19 0.00 0.00 -1.26 -1.68 121.76 118.01 1snr s ALA 236 Ca 0.17 -1.11 -0.33 0.00 0.00 0.00 0.00 51.96 50.69 1snr s ALA 236 Cb -0.05 -0.05 -0.14 0.00 0.00 0.00 0.00 23.12 22.89 1snr s ALA 236 CO 0.11 0.08 1.48 0.28 0.00 0.00 0.00 175.76 177.70 1snr n VAL 237 N 0.91 0.45 0.00 0.00 0.31 0.10 -1.06 118.33 119.03 1snr n VAL 237 Ca -0.18 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1snr n VAL 237 Cb 0.56 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 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 2.75 2.02 3.76 2.92 0.00 0.59 -4.98 105.19 112.26 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 -0.67 4.70 -0.26 1.61 2.12 -0.23 -4.79 118.70 121.18 1snr s GLU 239 Ca 0.00 1.32 -0.12 0.00 0.36 0.00 0.00 54.97 56.53 1snr s GLU 239 Cb 0.00 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 1snr s GLU 239 CO 0.00 0.53 0.22 0.15 -0.54 0.00 0.00 175.26 175.62 1snr s LYS 240 N -1.21 4.03 -0.05 4.30 1.02 -1.26 -1.67 119.74 124.89 1snr s LYS 240 Ca 0.39 -0.21 0.05 0.00 0.02 0.00 0.00 55.97 56.21 1snr s LYS 240 Cb -0.24 -3.60 -0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1snr s LYS 240 CO 0.29 -0.08 -0.19 0.08 -0.92 0.00 0.00 175.35 174.52 1snr s VAL 241 N 1.48 1.62 -0.21 3.17 1.01 0.07 -0.16 120.40 127.38 1snr s VAL 241 Ca 0.09 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1snr s VAL 241 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1snr s VAL 241 CO 0.08 0.46 0.07 -0.22 0.00 0.00 0.00 175.10 175.49 1snr s LEU 242 N 0.08 3.71 -0.33 3.92 2.96 -0.49 -1.26 118.68 127.27 1snr s LEU 242 Ca -0.06 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1snr s LEU 242 Cb -0.13 -1.96 0.06 0.00 0.50 0.00 0.00 46.19 44.65 1snr s LEU 242 CO 0.03 0.10 0.06 -0.63 -1.32 0.00 0.00 176.35 174.58 1snr s ILE 243 N 0.84 3.20 -0.03 6.68 1.01 0.61 -1.37 121.20 132.14 1snr s ILE 243 Ca 0.04 -1.45 -0.22 0.00 0.00 0.00 0.00 60.65 59.02 1snr s ILE 243 Cb -0.14 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 1snr s ILE 243 CO 0.02 -0.22 0.65 -0.69 0.00 0.00 0.00 174.94 174.70 1snr s VAL 244 N 1.26 4.96 -0.04 2.92 1.01 0.00 -1.49 120.40 129.03 1snr s VAL 244 Ca -0.02 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.33 1snr s VAL 244 Cb -0.20 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1snr s VAL 244 CO -0.01 0.34 -0.10 -2.28 0.00 0.00 0.00 175.10 173.05 1snr s HIS 245 N 0.26 1.17 0.13 5.22 2.46 -0.29 -0.48 115.29 123.76 1snr s HIS 245 Ca 0.34 -0.36 0.05 0.00 0.47 0.00 0.00 55.06 55.56 1snr s HIS 245 Cb -0.18 -0.86 -0.04 0.00 -0.13 0.00 0.00 32.58 31.37 1snr s HIS 245 CO 0.18 -0.18 -0.13 -1.54 -2.47 0.00 0.00 174.74 170.60 1snr s SER 246 N 0.45 1.90 -0.25 9.88 1.04 -0.80 -0.80 113.70 125.12 1snr s SER 246 Ca -0.09 -0.86 -0.02 0.00 0.48 0.00 0.00 55.95 55.46 1snr s SER 246 Cb -0.12 -0.05 0.14 0.00 0.10 0.00 0.00 66.02 66.08 1snr s SER 246 CO 0.02 -0.20 0.38 -1.58 0.98 0.00 0.00 173.24 172.83 1snr s GLN 247 N -2.96 0.35 0.22 4.02 -0.44 -0.82 -1.57 119.66 118.46 1snr s GLN 247 Ca 0.11 0.48 0.26 0.00 -2.50 0.00 0.00 55.36 53.70 1snr s GLN 247 Cb -0.03 -0.47 0.84 0.00 -1.64 0.00 0.00 33.01 31.72 1snr s GLN 247 CO 0.02 -0.69 1.77 0.00 0.50 0.00 0.00 175.29 176.89 1snr n ALA 248 N 5.36 2.18 0.00 1.58 0.00 -1.26 -0.39 120.51 127.98 1snr n ALA 248 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.40 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 -2.25 2.67 -3.76 0.00 5.15 -1.26 -2.93 115.26 112.87 1snr n ASN 249 Ca 0.05 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.90 1snr n ASN 249 Cb 0.40 0.43 -0.09 0.00 -0.53 0.00 0.00 39.78 39.99 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 -1.24 0.58 0.69 1.20 3.52 -1.26 -4.67 118.95 117.77 1snr s ARG 250 Ca 0.00 0.04 -0.17 0.00 -0.13 0.00 0.00 55.73 55.47 1snr s ARG 250 Cb 0.00 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 1snr s ARG 250 CO 0.00 -0.14 1.26 -0.51 -0.81 0.00 0.00 175.30 175.10 1snr s ASP 251 N -0.81 4.33 0.12 -2.12 -0.00 -1.26 -3.53 116.67 113.40 1snr s ASP 251 Ca -0.09 2.53 -0.05 0.00 -0.00 0.00 0.00 52.55 54.94 1snr s ASP 251 Cb -0.04 -2.61 -0.02 0.00 -0.00 0.00 0.00 42.92 40.25 1snr s ASP 251 CO 0.03 -2.18 0.15 0.28 -0.00 0.00 0.00 175.17 173.45 1snr s THR 252 N -1.64 0.11 -0.43 -1.27 -1.32 -0.49 -4.83 115.64 105.77 1snr s THR 252 Ca 0.79 -1.57 0.03 0.00 -1.21 0.00 0.00 61.69 59.73 1snr s THR 252 Cb -0.34 -1.77 0.16 0.00 -1.51 0.00 0.00 72.50 69.04 1snr s THR 252 CO 0.43 -0.51 0.32 0.00 -2.21 0.00 0.00 174.62 172.65 1snr s ARG 253 N -3.97 0.99 0.53 7.08 1.70 -1.26 -1.37 118.95 122.65 1snr s ARG 253 Ca 0.16 -2.07 -0.21 0.00 -0.47 0.00 0.00 55.73 53.15 1snr s ARG 253 Cb 0.06 -1.61 -0.05 0.00 -0.57 0.00 0.00 34.95 32.77 1snr s ARG 253 CO -0.03 -1.34 1.21 -2.14 -1.08 0.00 0.00 175.30 171.92 1snr s PRO 254 N 0.13 3.32 -0.19 3.89 0.02 -1.05 -0.60 135.00 140.53 1snr s PRO 254 Ca 0.29 1.84 -0.14 0.00 0.02 0.00 0.00 61.00 63.01 1snr s PRO 254 Cb -0.03 -2.15 0.06 0.00 0.02 0.00 0.00 34.50 32.39 1snr s PRO 254 CO -0.15 -0.93 0.48 -1.58 -0.33 0.00 0.00 177.00 174.49 1snr s HIS 255 N -1.56 -0.62 -0.44 6.54 2.46 -0.14 -1.66 115.29 119.87 1snr s HIS 255 Ca 0.71 1.38 -0.15 0.00 0.47 0.00 0.00 55.06 57.47 1snr s HIS 255 Cb -0.30 0.26 0.05 0.00 -0.13 0.00 0.00 32.58 32.46 1snr s HIS 255 CO 0.35 -0.32 0.35 -1.17 -2.47 0.00 0.00 174.74 171.48 1snr s LEU 256 N 0.85 5.37 -0.26 8.88 2.96 -1.26 -0.81 118.68 134.41 1snr s LEU 256 Ca -0.05 -1.11 -0.29 0.00 -0.22 0.00 0.00 54.13 52.46 1snr s LEU 256 Cb -0.05 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 1snr s LEU 256 CO -0.07 -0.56 1.50 -0.63 -1.32 0.00 0.00 176.35 175.28 1snr s ILE 257 N 1.68 3.85 0.00 6.68 1.01 0.11 -1.15 121.20 133.38 1snr s ILE 257 Ca 0.05 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1snr s ILE 257 Cb -0.22 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1snr s ILE 257 CO 0.08 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.25 1snr n GLY 258 N 4.59 0.27 0.00 6.18 0.00 -1.26 -3.70 105.19 111.26 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 6.36 3.51 -0.02 0.00 -0.30 -5.00 105.19 107.74 1snr n GLY 259 Ca 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 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 0.76 0.58 -0.55 1.61 0.09 -1.26 -4.74 115.29 111.79 1snr s HIS 260 Ca 0.00 -0.91 -0.16 0.00 -0.00 0.00 0.00 55.06 53.99 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 -0.95 0.52 0.20 -0.00 0.00 0.00 174.74 174.51 1snr s GLY 261 N -3.07 2.06 0.17 -2.22 0.00 -0.26 -4.74 107.32 99.27 1snr s GLY 261 Ca 0.26 -2.51 -0.13 0.00 0.00 0.00 0.00 44.72 42.34 1snr s GLY 261 CO 0.11 1.24 1.76 -0.55 0.00 0.00 0.00 173.10 175.66 1snr h ASP 262 N 8.91 0.72 -3.41 1.64 3.32 -1.42 -0.17 116.42 126.02 1snr h ASP 262 Ca -0.30 -0.12 -0.46 0.00 0.02 0.00 0.00 57.03 56.17 1snr h ASP 262 Cb 1.10 -0.18 -0.34 0.00 0.22 0.00 0.00 39.33 40.12 1snr h ASP 262 CO 1.04 0.63 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.10 1snr s TYR 263 N -5.76 1.09 -0.12 4.55 1.51 -0.96 -1.92 117.35 115.74 1snr s TYR 263 Ca -0.13 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1snr s TYR 263 Cb 0.12 -0.88 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1snr s TYR 263 CO 0.77 -0.26 -0.04 0.08 -1.11 0.00 0.00 175.55 175.00 1snr s VAL 264 N 0.93 0.83 -1.13 0.71 1.01 0.50 -0.25 120.40 122.99 1snr s VAL 264 Ca -0.10 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 1snr s VAL 264 Cb -0.15 -0.97 0.13 0.00 0.00 0.00 0.00 36.38 35.39 1snr s VAL 264 CO 0.01 0.22 1.41 0.26 0.00 0.00 0.00 175.10 176.99 1snr s TRP 265 N 1.77 3.18 0.36 5.22 0.51 -0.01 -0.62 118.94 129.36 1snr s TRP 265 Ca 0.03 -1.72 0.12 0.00 -2.12 0.00 0.00 56.10 52.41 1snr s TRP 265 Cb -0.14 -4.42 0.70 0.00 -0.81 0.00 0.00 33.47 28.80 1snr s TRP 265 CO -0.07 -1.55 1.82 0.00 -0.51 0.00 0.00 176.95 176.64 1snr h ALA 266 N 7.93 1.37 -0.00 0.98 0.00 -1.90 0.06 119.26 127.71 1snr h ALA 266 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1snr h ALA 266 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1snr h ALA 266 CO 1.26 0.47 -0.09 0.25 0.00 0.00 0.00 179.25 181.14 1snr n THR 267 N -4.11 0.00 -0.96 0.00 -2.24 -1.26 -4.55 114.28 101.17 1snr n THR 267 Ca -0.02 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1snr n THR 267 Cb 0.40 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 1.47 0.92 3.40 3.38 0.00 -0.03 -4.75 105.19 109.59 1snr n GLY 268 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 3.54 0.36 1.61 -0.14 -1.26 -0.16 119.74 123.64 1snr s LYS 269 Ca 0.00 -0.55 0.27 0.00 -1.36 0.00 0.00 55.97 54.32 1snr s LYS 269 Cb 0.00 -3.07 0.91 0.00 -1.68 0.00 0.00 37.83 34.00 1snr s LYS 269 CO 0.00 -0.06 1.78 0.74 -0.76 0.00 0.00 175.35 177.05 1snr h PHE 270 N 7.72 0.00 -0.00 3.18 0.05 -1.76 -2.15 116.94 123.98 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 1.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.12 1snr h PHE 270 CO 0.59 0.00 -0.13 0.09 -0.18 0.00 0.00 178.31 178.68 1snr n ASN 271 N -2.65 0.21 -4.61 2.17 3.02 -1.26 -4.62 115.26 107.51 1snr n ASN 271 Ca 0.03 0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 1snr n ASN 271 Cb 0.36 -0.22 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 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 -2.84 5.05 0.40 3.41 2.01 -0.81 -5.04 115.64 117.82 1snr s THR 272 Ca 0.18 0.89 -0.26 0.00 0.31 0.00 0.00 61.69 62.81 1snr s THR 272 Cb 0.19 -3.86 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 1snr s THR 272 CO 0.55 0.05 1.29 -2.65 -0.69 0.00 0.00 174.62 173.18 1snr n PRO 273 N 5.59 2.03 -2.37 4.92 -0.02 -1.26 -4.83 135.00 139.06 1snr n PRO 273 Ca -0.03 0.72 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 1snr n PRO 273 Cb 0.50 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 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 -2.14 3.90 0.76 0.52 0.04 -1.26 -4.92 135.00 131.90 1snr s PRO 274 Ca 0.59 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 1snr s PRO 274 Cb -0.52 -2.44 0.05 0.00 0.04 0.00 0.00 34.50 31.63 1snr s PRO 274 CO 0.59 -0.41 1.10 -0.51 0.04 0.00 0.00 177.00 177.81 1snr s ASP 275 N -1.46 4.58 0.10 6.66 1.01 0.21 -4.77 116.67 123.00 1snr s ASP 275 Ca 0.62 1.86 0.05 0.00 0.71 0.00 0.00 52.55 55.79 1snr s ASP 275 Cb -0.26 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 1snr s ASP 275 CO 0.32 -1.98 -0.14 0.68 0.21 0.00 0.00 175.17 174.25 1snr s VAL 276 N -2.81 1.23 -1.41 -1.27 -7.23 -1.26 -0.37 120.40 107.27 1snr s VAL 276 Ca 0.62 -1.59 -0.04 0.00 -1.81 0.00 0.00 61.98 59.16 1snr s VAL 276 Cb -0.18 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.39 1snr s VAL 276 CO 0.54 -0.37 0.53 0.47 -0.31 0.00 0.00 175.10 175.96 1snr n ASP 277 N 0.76 -5.69 -4.75 4.85 10.43 -0.81 -4.92 116.55 116.42 1snr n ASP 277 Ca -0.17 -0.25 -0.40 0.00 2.57 0.00 0.00 54.79 56.53 1snr n ASP 277 Cb 0.56 -4.52 -0.04 0.00 1.84 0.00 0.00 41.12 38.95 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 -5.56 4.66 -0.18 -1.24 -1.52 -0.09 -4.84 119.66 110.89 1snr s GLN 278 Ca 0.26 1.75 -0.24 0.00 -1.95 0.00 0.00 55.36 55.19 1snr s GLN 278 Cb -0.12 -3.21 -0.21 0.00 -0.22 0.00 0.00 33.01 29.25 1snr s GLN 278 CO 0.33 0.23 0.40 1.05 -0.25 0.00 0.00 175.29 177.05 1snr h GLU 279 N 4.03 0.00 -3.23 2.91 4.11 -1.91 -0.66 114.58 119.83 1snr h GLU 279 Ca -0.46 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.72 1snr h GLU 279 Cb 1.21 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.14 1snr h GLU 279 CO 0.68 0.99 -0.60 0.99 0.07 0.00 0.00 179.01 181.14 1snr s THR 280 N -2.31 -0.07 0.45 -1.06 2.01 -1.26 -4.35 115.64 109.05 1snr s THR 280 Ca -0.25 0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.01 1snr s THR 280 Cb 0.03 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 1snr s THR 280 CO 0.62 0.08 0.26 -1.66 -0.69 0.00 0.00 174.62 173.23 1snr s TRP 281 N 1.27 2.37 -0.06 4.92 -2.14 -0.67 -4.98 118.94 119.66 1snr s TRP 281 Ca -0.08 -0.65 0.01 0.00 2.66 0.00 0.00 56.10 58.04 1snr s TRP 281 Cb -0.12 -1.97 0.02 0.00 -3.10 0.00 0.00 33.47 28.30 1snr s TRP 281 CO -0.06 -0.01 -0.06 0.12 -2.66 0.00 0.00 176.95 174.27 1snr s PHE 282 N -2.63 1.00 -0.19 1.66 5.36 -1.26 -2.53 117.98 119.38 1snr s PHE 282 Ca 0.39 -0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.02 1snr s PHE 282 Cb 0.01 -0.84 0.04 0.00 -0.34 0.00 0.00 43.02 41.89 1snr s PHE 282 CO 0.22 -0.26 -0.12 0.42 -1.46 0.00 0.00 175.22 174.02 1snr s ILE 283 N 1.05 1.69 0.56 3.12 1.01 -0.47 -4.73 121.20 123.42 1snr s ILE 283 Ca -0.09 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 1snr s ILE 283 Cb -0.14 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 1snr s ILE 283 CO -0.00 0.23 1.09 -2.16 0.00 0.00 0.00 174.94 174.09 1snr s PRO 284 N 1.39 3.38 0.22 2.79 0.04 -1.26 -1.40 135.00 140.15 1snr s PRO 284 Ca -0.00 1.42 -0.32 0.00 0.04 0.00 0.00 61.00 62.14 1snr s PRO 284 Cb -0.16 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 1snr s PRO 284 CO -0.09 -0.79 1.29 0.41 0.04 0.00 0.00 177.00 177.87 1snr n GLY 285 N -0.31 0.45 0.95 0.56 0.00 -1.23 -2.07 105.19 103.54 1snr n GLY 285 Ca 0.10 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 2.03 0.72 3.30 -0.02 0.00 0.47 -4.74 105.19 106.96 1snr n GLY 286 Ca 0.13 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 0.23 0.19 4.61 0.00 -0.88 -4.75 121.76 119.16 1snr s ALA 287 Ca 0.00 -1.05 0.10 0.00 0.00 0.00 0.00 51.96 51.01 1snr s ALA 287 Cb 0.00 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1snr s ALA 287 CO 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 175.76 174.97 1snr s ALA 288 N -4.00 2.73 0.28 0.00 0.00 -1.26 -1.95 121.76 117.55 1snr s ALA 288 Ca 0.20 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.62 1snr s ALA 288 Cb 0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1snr s ALA 288 CO 0.01 0.45 0.14 0.20 0.00 0.00 0.00 175.76 176.56 1snr s GLY 289 N -2.74 1.88 -0.08 0.00 0.00 0.02 -3.01 107.32 103.39 1snr s GLY 289 Ca 0.23 -1.79 -0.07 0.00 0.00 0.00 0.00 44.72 43.09 1snr s GLY 289 CO 0.12 -1.57 0.20 0.00 0.00 0.00 0.00 173.10 171.86 1snr s ALA 290 N -3.72 -0.50 -0.02 3.20 0.00 -0.99 -1.13 121.76 118.60 1snr s ALA 290 Ca 0.37 0.61 0.06 0.00 0.00 0.00 0.00 51.96 53.00 1snr s ALA 290 Cb 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1snr s ALA 290 CO 0.16 -0.11 -0.18 0.00 0.00 0.00 0.00 175.76 175.63 1snr s ALA 291 N 0.25 1.52 -0.13 0.00 0.00 -0.55 -0.83 121.76 122.02 1snr s ALA 291 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.17 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 0.36 -0.14 0.12 0.00 0.00 0.00 175.76 176.10 1snr s PHE 292 N -0.39 2.79 -0.02 0.00 2.19 0.66 -0.29 117.98 122.92 1snr s PHE 292 Ca 0.06 -0.72 -0.03 0.00 0.33 0.00 0.00 56.93 56.57 1snr s PHE 292 Cb -0.07 -1.84 0.00 0.00 -1.31 0.00 0.00 43.02 39.80 1snr s PHE 292 CO -0.00 -0.26 0.07 -0.47 1.83 0.00 0.00 175.22 176.38 1snr s TYR 293 N 0.41 -0.05 -0.33 10.12 5.04 -0.39 -1.12 117.35 131.03 1snr s TYR 293 Ca -0.11 0.12 -0.11 0.00 -2.44 0.00 0.00 57.07 54.53 1snr s TYR 293 Cb -0.16 0.01 -0.01 0.00 0.35 0.00 0.00 41.96 42.15 1snr s TYR 293 CO 0.05 -0.06 0.20 0.99 -1.34 0.00 0.00 175.55 175.39 1snr s THR 294 N -0.14 4.90 0.25 4.34 2.01 -1.26 -0.75 115.64 124.99 1snr s THR 294 Ca -0.02 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1snr s THR 294 Cb -0.02 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 1snr s THR 294 CO 0.00 -0.00 1.39 -0.36 -0.69 0.00 0.00 174.62 174.95 1snr s PHE 295 N 1.65 3.08 0.00 4.92 0.40 -0.67 -4.88 117.98 122.48 1snr s PHE 295 Ca 0.05 1.14 0.00 0.00 -0.60 0.00 0.00 56.93 57.52 1snr s PHE 295 Cb -0.17 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.61 1snr s PHE 295 CO 0.08 -2.35 0.00 1.04 0.70 0.00 0.00 175.22 174.70 1snr n GLN 296 N 2.12 6.87 -4.14 0.44 1.13 -1.26 -0.30 117.38 122.25 1snr n GLN 296 Ca 0.05 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.96 1snr n GLN 296 Cb 0.41 -0.50 -0.14 0.00 0.11 0.00 0.00 30.24 30.12 1snr n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1snr s GLN 297 N -1.00 0.45 0.82 -1.09 -1.52 -1.26 -4.62 119.66 111.44 1snr s GLN 297 Ca 0.00 -0.32 -0.11 0.00 -1.95 0.00 0.00 55.36 52.97 1snr s GLN 297 Cb 0.00 -0.38 0.10 0.00 -0.22 0.00 0.00 33.01 32.51 1snr s GLN 297 CO 0.00 0.10 1.17 -1.25 -0.25 0.00 0.00 175.29 175.06 1snr s PRO 298 N -0.47 1.71 0.00 2.91 0.04 -1.26 -4.78 135.00 133.15 1snr s PRO 298 Ca -0.01 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 60.91 1snr s PRO 298 Cb -0.04 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1snr s PRO 298 CO -0.00 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 175.75 1snr n GLY 299 N -3.32 0.19 3.74 0.56 0.00 0.07 -4.94 105.19 101.49 1snr n GLY 299 Ca 0.10 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.24 4.90 0.13 -0.61 -1.09 -1.26 -1.33 121.20 121.70 1snr s ILE 300 Ca 0.00 1.44 0.09 0.00 -2.23 0.00 0.00 60.65 59.94 1snr s ILE 300 Cb 0.00 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1snr s ILE 300 CO 0.00 0.34 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.58 1snr s TYR 301 N 0.22 2.58 0.05 3.97 1.51 0.01 -4.99 117.35 120.70 1snr s TYR 301 Ca 0.36 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1snr s TYR 301 Cb -0.19 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1snr s TYR 301 CO 0.19 0.42 0.02 0.00 -1.11 0.00 0.00 175.55 175.07 1snr s ALA 302 N -1.26 3.38 -0.15 3.71 0.00 -1.24 -1.14 121.76 125.05 1snr s ALA 302 Ca 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1snr s ALA 302 Cb -0.10 -1.33 0.03 0.00 0.00 0.00 0.00 23.12 21.71 1snr s ALA 302 CO 0.11 0.69 -0.12 -0.47 0.00 0.00 0.00 175.76 175.98 1snr s TYR 303 N -1.24 2.02 0.09 0.00 5.04 0.36 0.08 117.35 123.69 1snr s TYR 303 Ca 0.24 -1.15 0.01 0.00 -2.44 0.00 0.00 57.07 53.74 1snr s TYR 303 Cb -0.12 -1.51 -0.04 0.00 0.35 0.00 0.00 41.96 40.65 1snr s TYR 303 CO 0.16 -0.64 -0.06 0.14 -1.34 0.00 0.00 175.55 173.81 1snr s VAL 304 N 1.53 0.62 -0.23 3.14 -7.23 0.01 -0.38 120.40 117.86 1snr s VAL 304 Ca 0.04 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 1snr s VAL 304 Cb -0.13 -1.58 -0.00 0.00 0.56 0.00 0.00 36.38 35.23 1snr s VAL 304 CO -0.10 -0.86 1.19 0.21 -0.31 0.00 0.00 175.10 175.23 1snr s ASN 305 N -2.92 6.93 -0.08 4.85 3.84 -0.99 -0.97 114.94 125.61 1snr s ASN 305 Ca 0.10 1.43 0.02 0.00 0.21 0.00 0.00 52.86 54.62 1snr s ASN 305 Cb 0.05 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.38 1snr s ASN 305 CO -0.05 -0.81 0.99 1.57 -2.79 0.00 0.00 177.10 176.00 1snr n HIS 306 N 6.76 0.59 -2.70 0.43 -0.00 0.23 -3.86 115.22 116.67 1snr n HIS 306 Ca 0.13 -0.47 -0.42 0.00 -0.00 0.00 0.00 57.72 56.96 1snr n HIS 306 Cb 0.46 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.99 30.12 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 0.13 6.31 0.54 0.26 3.84 -1.26 -4.92 114.94 119.84 1snr s ASN 307 Ca 0.13 -0.33 0.32 0.00 0.21 0.00 0.00 52.86 53.20 1snr s ASN 307 Cb 0.10 -2.50 1.44 0.00 -0.55 0.00 0.00 41.25 39.75 1snr s ASN 307 CO 0.03 -1.47 2.02 -0.07 -2.79 0.00 0.00 177.10 174.82 1snr h LEU 308 N 11.77 0.00 -0.08 3.21 3.38 -1.99 0.34 115.31 131.94 1snr h LEU 308 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1snr h LEU 308 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1snr h LEU 308 CO 1.17 0.06 0.00 0.40 0.09 0.00 0.00 178.44 180.17 1snr h ILE 309 N 0.00 1.25 -0.76 1.22 2.04 -1.91 -0.23 117.51 119.11 1snr h ILE 309 Ca -0.00 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.14 1snr h ILE 309 Cb 0.46 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1snr h ILE 309 CO 0.01 0.22 0.46 -0.33 0.00 0.00 0.00 178.15 178.51 1snr h GLU 310 N -0.13 0.84 -0.03 2.37 5.08 -1.38 0.62 114.58 121.95 1snr h GLU 310 Ca 0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1snr h GLU 310 Cb 0.34 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1snr h GLU 310 CO 0.00 0.55 -0.01 0.00 -1.00 0.00 0.00 179.01 178.56 1snr h ALA 311 N 1.36 0.05 0.00 3.43 0.00 -0.91 -1.46 119.26 121.73 1snr h ALA 311 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1snr h ALA 311 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1snr h ALA 311 CO -0.16 -0.26 -0.73 1.19 0.00 0.00 0.00 179.25 179.29 1snr n PHE 312 N -4.87 0.00 -0.10 0.00 3.01 -0.11 -2.12 117.46 113.27 1snr n PHE 312 Ca -0.07 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.25 1snr n PHE 312 Cb 0.20 -0.06 -0.11 0.00 -0.01 0.00 0.00 39.48 39.51 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 -1.39 0.71 -0.00 -1.08 -0.58 0.13 -4.79 120.64 113.64 1snr n GLU 313 Ca 0.01 0.09 0.08 0.00 -0.42 0.00 0.00 57.16 56.93 1snr n GLU 313 Cb 0.19 -1.43 -0.10 0.00 -0.57 0.00 0.00 31.44 29.53 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 -3.01 0.73 0.00 -4.62 4.77 -0.73 -5.01 117.00 109.13 1snr n LEU 314 Ca -0.35 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1snr n LEU 314 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 1snr n LEU 314 CO 0.25 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1snr n GLY 315 N 1.42 0.84 2.66 -0.72 0.00 -0.71 -1.25 105.19 107.43 1snr n GLY 315 Ca 0.03 0.00 -0.41 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 6.14 -3.67 4.61 0.00 0.04 -4.28 120.51 123.35 1snr n ALA 316 Ca 0.00 -4.23 -0.14 0.00 0.00 0.00 0.00 53.44 49.07 1snr n ALA 316 Cb 0.00 -2.81 -0.15 0.00 0.00 0.00 0.00 19.45 16.49 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 -0.75 -0.20 0.36 0.00 0.00 -1.24 -2.35 121.76 117.58 1snr s ALA 317 Ca 0.47 0.58 0.08 0.00 0.00 0.00 0.00 51.96 53.08 1snr s ALA 317 Cb 0.14 -0.39 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 1snr s ALA 317 CO -0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 175.76 175.53 1snr s ALA 318 N 1.04 2.97 0.12 0.00 0.00 0.49 -4.53 121.76 121.86 1snr s ALA 318 Ca -0.08 -2.16 0.10 0.00 0.00 0.00 0.00 51.96 49.81 1snr s ALA 318 Cb -0.11 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1snr s ALA 318 CO -0.05 -0.02 -0.23 -1.01 0.00 0.00 0.00 175.76 174.44 1snr s HIS 319 N -2.71 2.03 -0.07 0.00 3.76 0.10 -0.49 115.29 117.92 1snr s HIS 319 Ca 0.33 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 1snr s HIS 319 Cb 0.06 -1.09 -0.02 0.00 1.11 0.00 0.00 32.58 32.63 1snr s HIS 319 CO 0.17 0.29 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.12 1snr s PHE 320 N -1.21 2.66 -0.25 1.40 0.08 -0.29 -1.23 117.98 119.14 1snr s PHE 320 Ca 0.11 -0.36 -0.07 0.00 0.12 0.00 0.00 56.93 56.73 1snr s PHE 320 Cb -0.10 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.67 1snr s PHE 320 CO 0.05 0.03 0.05 0.15 -0.10 0.00 0.00 175.22 175.41 1snr s LYS 321 N -0.40 3.57 -0.14 0.44 1.02 0.63 -0.81 119.74 124.06 1snr s LYS 321 Ca 0.04 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 55.53 1snr s LYS 321 Cb -0.12 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1snr s LYS 321 CO 0.02 -0.21 -0.20 0.08 -0.92 0.00 0.00 175.35 174.12 1snr s VAL 322 N 1.59 1.94 0.48 3.17 1.01 -0.45 -1.95 120.40 126.20 1snr s VAL 322 Ca 0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1snr s VAL 322 Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1snr s VAL 322 CO 0.02 0.53 0.73 0.42 0.00 0.00 0.00 175.10 176.81 1snr s THR 323 N 0.91 4.19 -2.07 3.92 -4.23 -0.68 -0.75 115.64 116.94 1snr s THR 323 Ca -0.05 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1snr s THR 323 Cb -0.15 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1snr s THR 323 CO -0.03 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 1snr n GLY 324 N -2.20 0.54 3.74 3.99 0.00 -1.26 -0.73 105.19 109.27 1snr n GLY 324 Ca 0.01 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.83 4.25 0.39 1.61 2.12 -1.26 -4.65 118.70 120.34 1snr s GLU 325 Ca 0.00 0.37 -0.27 0.00 0.36 0.00 0.00 54.97 55.44 1snr s GLU 325 Cb 0.00 -3.40 -0.09 0.00 0.26 0.00 0.00 34.13 30.90 1snr s GLU 325 CO 0.00 0.27 1.34 -0.46 -0.54 0.00 0.00 175.26 175.86 1snr s TRP 326 N 0.29 2.80 -0.39 5.30 -0.11 -1.26 -4.44 118.94 121.12 1snr s TRP 326 Ca 0.24 1.37 -0.03 0.00 1.22 0.00 0.00 56.10 58.89 1snr s TRP 326 Cb -0.15 -3.73 0.10 0.00 -1.50 0.00 0.00 33.47 28.18 1snr s TRP 326 CO 0.10 -2.23 0.18 1.21 -4.62 0.00 0.00 176.95 171.59 1snr s ASN 327 N -0.60 5.25 0.49 5.86 3.84 -1.26 -4.96 114.94 123.55 1snr s ASN 327 Ca 0.55 -1.86 0.30 0.00 0.21 0.00 0.00 52.86 52.06 1snr s ASN 327 Cb -0.40 -1.83 1.00 0.00 -0.55 0.00 0.00 41.25 39.47 1snr s ASN 327 CO 0.52 -0.50 1.84 0.44 -2.79 0.00 0.00 177.10 176.61 1snr h ASP 328 N 8.09 0.00 -0.06 -4.21 5.19 -1.96 -2.65 116.42 120.82 1snr h ASP 328 Ca -0.15 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1snr h ASP 328 Cb 1.05 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.56 1snr h ASP 328 CO 0.68 0.00 0.03 -0.78 -3.12 0.00 0.00 179.24 176.05 1snr h ASP 329 N 0.00 0.08 -0.62 6.45 -0.00 -2.02 -3.15 116.42 117.16 1snr h ASP 329 Ca 0.00 -0.12 -0.06 0.00 -0.00 0.00 0.00 57.03 56.85 1snr h ASP 329 Cb 0.67 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.96 1snr h ASP 329 CO 0.00 0.18 0.16 -0.07 -0.00 0.00 0.00 179.24 179.51 1snr h LEU 330 N -0.03 0.93 -7.03 2.28 3.38 -1.94 -3.45 115.31 109.46 1snr h LEU 330 Ca 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1snr h LEU 330 Cb 0.12 -0.24 -0.21 0.00 0.09 0.00 0.00 40.66 40.41 1snr h LEU 330 CO -0.00 0.91 0.05 -0.32 0.09 0.00 0.00 178.44 179.17 1snr s MET 331 N -5.34 0.75 -0.04 1.13 0.00 -1.02 -5.14 119.30 109.64 1snr s MET 331 Ca -0.12 1.05 -0.12 0.00 0.00 0.00 0.00 55.69 56.49 1snr s MET 331 Cb 0.13 0.28 0.02 0.00 0.00 0.00 0.00 34.83 35.27 1snr s MET 331 CO 0.82 -0.12 0.28 -0.08 0.00 0.00 0.00 175.02 175.93 1snr s THR 332 N 0.87 0.04 -0.63 10.11 -1.32 -1.25 -4.04 115.64 119.43 1snr s THR 332 Ca -0.04 -0.35 -0.24 0.00 -1.21 0.00 0.00 61.69 59.84 1snr s THR 332 Cb -0.05 -0.53 0.05 0.00 -1.51 0.00 0.00 72.50 70.46 1snr s THR 332 CO -0.07 -0.19 1.04 -0.55 -2.21 0.00 0.00 174.62 172.63 1snr s SER 333 N -0.86 6.26 0.15 8.08 0.15 -1.26 -4.89 113.70 121.33 1snr s SER 333 Ca -0.09 -0.55 -0.11 0.00 0.70 0.00 0.00 55.95 55.89 1snr s SER 333 Cb -0.05 -2.46 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 1snr s SER 333 CO 0.03 -1.44 1.54 0.58 1.20 0.00 0.00 173.24 175.14 1snr h VAL 334 N 6.02 1.27 -3.19 4.45 2.07 -2.02 -3.41 116.25 121.45 1snr h VAL 334 Ca -0.27 -1.34 -0.46 0.00 0.82 0.00 0.00 66.70 65.44 1snr h VAL 334 Cb 1.07 1.17 -0.40 0.00 -1.52 0.00 0.00 31.29 31.61 1snr h VAL 334 CO 1.17 0.46 -0.76 -0.22 0.02 0.00 0.00 177.57 178.24 1snr s LEU 335 N -9.12 0.64 0.64 2.57 2.96 -1.26 -5.14 118.68 109.97 1snr s LEU 335 Ca -0.12 -0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 53.11 1snr s LEU 335 Cb 0.12 -0.38 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 1snr s LEU 335 CO 0.86 -0.30 1.19 0.00 -1.32 0.00 0.00 176.35 176.78 1snr s ALA 336 N 2.02 2.41 -0.15 5.97 0.00 -1.26 -4.88 121.76 125.87 1snr s ALA 336 Ca 0.02 0.90 -0.41 0.00 0.00 0.00 0.00 51.96 52.47 1snr s ALA 336 Cb -0.15 -3.43 -0.18 0.00 0.00 0.00 0.00 23.12 19.35 1snr s ALA 336 CO -0.07 -1.38 1.39 -2.30 0.00 0.00 0.00 175.76 173.40 1snr n PRO 337 N -2.03 0.50 -3.46 0.00 -0.02 -1.26 -4.94 135.00 123.79 1snr n PRO 337 Ca 0.13 0.18 -0.11 0.00 -2.02 0.00 0.00 63.50 61.68 1snr n PRO 337 Cb 0.50 -1.75 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.50 -0.50 0.00 2.55 1.04 -1.26 -5.29 113.70 111.74 1snr s SER 338 Ca 0.94 0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.41 1snr s SER 338 Cb -1.21 0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1snr s SER 338 CO 0.62 -0.83 0.22 0.61 0.98 0.00 0.00 173.24 174.84