#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvb s HIS 4 N 0.00 2.85 0.68 1.57 5.04 -1.26 -4.98 115.29 119.18 3dvb s HIS 4 Ca 0.00 1.53 -0.15 0.00 -1.54 0.00 0.00 55.06 54.89 3dvb s HIS 4 Cb 0.00 -3.41 0.01 0.00 0.04 0.00 0.00 32.58 29.22 3dvb s HIS 4 CO 0.00 -1.58 1.15 1.67 -2.34 0.00 0.00 174.74 173.64 3dvb s TRP 5 N -1.52 2.40 0.00 3.88 1.48 -1.26 -4.86 118.94 119.06 3dvb s TRP 5 Ca 0.64 1.57 0.00 0.00 -1.06 0.00 0.00 56.10 57.25 3dvb s TRP 5 Cb -0.29 -3.30 0.00 0.00 -1.16 0.00 0.00 33.47 28.71 3dvb s TRP 5 CO 0.36 -2.04 0.00 0.41 -4.06 0.00 0.00 176.95 171.62 3dvb n GLY 6 N -0.09 2.37 0.23 3.67 0.00 -0.35 -5.03 105.19 105.98 3dvb n GLY 6 Ca 0.12 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.88 3dvb n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dvb n TYR 7 N 0.00 0.00 -1.71 1.61 4.01 -1.26 -3.96 117.16 115.85 3dvb n TYR 7 Ca 0.00 -0.63 -0.14 0.00 -0.16 0.00 0.00 57.90 56.97 3dvb n TYR 7 Cb 0.00 -0.11 0.09 0.00 -0.31 0.00 0.00 39.34 39.01 3dvb n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dvb n GLY 8 N -0.91 -0.79 0.12 2.72 0.00 -1.26 -4.72 105.19 100.35 3dvb n GLY 8 Ca 0.10 -1.77 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 3dvb n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dvb h LYS 9 N 0.00 0.00 -0.01 1.61 3.11 -1.98 -1.53 116.57 117.77 3dvb h LYS 9 Ca -0.20 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.64 3dvb h LYS 9 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 3dvb h LYS 9 CO 0.16 0.70 -0.42 0.72 -2.81 0.00 0.00 179.45 177.80 3dvb n HIS 10 N -3.66 0.00 -1.70 1.91 8.25 -1.26 -4.49 115.22 114.26 3dvb n HIS 10 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3dvb n HIS 10 Cb 0.70 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.81 3dvb n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3dvb n ASN 11 N -0.01 0.01 -3.62 0.41 6.94 -1.24 -4.73 115.26 113.02 3dvb n ASN 11 Ca 0.08 -1.72 -0.30 0.00 -0.02 0.00 0.00 54.58 52.63 3dvb n ASN 11 Cb 0.43 -0.14 0.24 0.00 -2.36 0.00 0.00 39.78 37.95 3dvb n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dvb n GLY 12 N -0.01 -2.54 0.46 4.83 0.00 -0.58 -1.21 105.19 106.14 3dvb n GLY 12 Ca 0.00 -1.53 0.33 0.00 0.00 0.00 0.00 46.02 44.82 3dvb n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dvb h PRO 13 N 0.00 0.16 0.00 1.61 0.11 -1.86 0.18 132.00 132.21 3dvb h PRO 13 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3dvb h PRO 13 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dvb h PRO 13 CO 0.28 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 178.56 3dvb n GLU 14 N -4.64 0.08 -0.01 1.05 -0.58 -1.26 -2.77 120.64 112.51 3dvb n GLU 14 Ca 0.34 0.31 0.09 0.00 -0.42 0.00 0.00 57.16 57.48 3dvb n GLU 14 Cb 1.28 -1.64 -0.14 0.00 -0.57 0.00 0.00 31.44 30.37 3dvb n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3dvb n HIS 15 N -1.79 0.00 -0.27 -0.32 8.25 0.63 -4.64 115.22 117.08 3dvb n HIS 15 Ca 0.03 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.67 3dvb n HIS 15 Cb 0.20 -0.35 0.47 0.00 1.12 0.00 0.00 29.99 31.43 3dvb n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3dvb h TRP 16 N 0.00 0.66 -0.07 4.41 6.55 -1.45 -2.29 115.95 123.76 3dvb h TRP 16 Ca 0.00 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.88 3dvb h TRP 16 Cb 0.78 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 28.88 3dvb h TRP 16 CO 0.00 0.16 0.12 1.12 -1.05 0.00 0.00 178.44 178.80 3dvb h HIS 17 N 0.48 0.00 -0.21 0.49 2.07 -1.79 0.32 115.15 116.51 3dvb h HIS 17 Ca 0.50 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.91 3dvb h HIS 17 Cb 1.14 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.11 3dvb h HIS 17 CO -0.00 0.00 -0.32 0.87 -3.07 0.00 0.00 177.93 175.40 3dvb h LYS 18 N 0.00 0.44 0.00 5.12 1.57 -1.76 -2.92 116.57 119.01 3dvb h LYS 18 Ca 0.03 -0.19 -0.23 0.00 -1.87 0.00 0.00 60.65 58.39 3dvb h LYS 18 Cb 0.28 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 3dvb h LYS 18 CO -0.00 0.72 -2.22 -0.25 -0.57 0.00 0.00 179.45 177.12 3dvb n ASP 19 N -4.08 0.10 -3.68 0.86 8.00 -0.80 -4.75 116.55 112.19 3dvb n ASP 19 Ca -0.01 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.20 3dvb n ASP 19 Cb 0.45 1.36 -0.12 0.00 -0.02 0.00 0.00 41.12 42.78 3dvb n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dvb s PHE 20 N -2.85 2.14 0.54 1.24 0.08 0.04 -4.99 117.98 114.18 3dvb s PHE 20 Ca -0.09 -2.61 0.31 0.00 0.12 0.00 0.00 56.93 54.65 3dvb s PHE 20 Cb 0.09 -1.85 1.47 0.00 -0.57 0.00 0.00 43.02 42.16 3dvb s PHE 20 CO 0.84 -0.74 1.90 -1.35 -0.10 0.00 0.00 175.22 175.78 3dvb h PRO 21 N 6.16 0.00 0.00 0.24 0.11 -1.76 -0.46 132.00 136.30 3dvb h PRO 21 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3dvb h PRO 21 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3dvb h PRO 21 CO 0.51 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.81 3dvb n ILE 22 N -4.25 1.69 0.28 4.15 3.06 -1.26 -2.01 119.36 121.03 3dvb n ILE 22 Ca 0.17 0.47 0.18 0.00 -2.50 0.00 0.00 62.75 61.06 3dvb n ILE 22 Cb 0.90 -1.42 0.96 0.00 0.54 0.00 0.00 39.64 40.62 3dvb n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dvb h ALA 23 N 2.10 1.46 -0.57 1.51 0.00 -1.40 0.33 119.26 122.69 3dvb h ALA 23 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3dvb h ALA 23 Cb 0.06 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.73 3dvb h ALA 23 CO 0.00 -0.15 0.17 1.63 0.00 0.00 0.00 179.25 180.90 3dvb n LYS 24 N -3.50 2.88 -0.58 0.00 5.02 -0.85 -4.97 118.16 116.16 3dvb n LYS 24 Ca -0.01 -3.05 -0.19 0.00 -2.02 0.00 0.00 58.31 53.03 3dvb n LYS 24 Cb 0.21 -2.03 0.17 0.00 -0.02 0.00 0.00 35.03 33.35 3dvb n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dvb n GLY 25 N -0.61 -2.87 0.15 0.72 0.00 0.12 -5.00 105.19 97.70 3dvb n GLY 25 Ca 0.37 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 45.07 3dvb n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dvb h GLU 26 N 0.00 0.00 -1.79 1.61 4.39 -1.95 -3.39 114.58 113.45 3dvb h GLU 26 Ca -0.26 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.95 3dvb h GLU 26 Cb 0.81 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.06 3dvb h GLU 26 CO 0.17 0.00 -1.05 2.89 -1.16 0.00 0.00 179.01 179.86 3dvb n ARG 27 N -2.79 1.68 -3.02 2.33 1.85 -1.26 -4.65 116.66 110.79 3dvb n ARG 27 Ca 0.02 -3.75 -0.31 0.00 -1.00 0.00 0.00 57.85 52.81 3dvb n ARG 27 Cb 0.54 -1.76 -0.04 0.00 -1.05 0.00 0.00 32.46 30.14 3dvb n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3dvb s GLN 28 N -2.89 3.86 0.21 2.89 -1.52 -1.26 -2.67 119.66 118.28 3dvb s GLN 28 Ca 0.40 0.52 0.08 0.00 -1.95 0.00 0.00 55.36 54.40 3dvb s GLN 28 Cb 0.37 -2.43 -0.05 0.00 -0.22 0.00 0.00 33.01 30.68 3dvb s GLN 28 CO -0.07 0.07 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.77 3dvb s SER 29 N -2.75 2.64 0.98 5.90 0.01 -1.26 -4.69 113.70 114.53 3dvb s SER 29 Ca 0.52 -1.02 -0.16 0.00 1.31 0.00 0.00 55.95 56.60 3dvb s SER 29 Cb -0.10 -0.15 0.22 0.00 0.21 0.00 0.00 66.02 66.20 3dvb s SER 29 CO 0.25 -0.16 1.33 -0.81 0.41 0.00 0.00 173.24 174.26 3dvb n PRO 30 N -0.40 -1.22 -4.11 12.44 -0.04 -1.26 -4.64 135.00 135.77 3dvb n PRO 30 Ca -0.08 -2.14 -0.10 0.00 -0.04 0.00 0.00 63.50 61.14 3dvb n PRO 30 Cb 0.60 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.64 3dvb n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dvb s VAL 31 N -3.89 0.09 -0.05 0.52 -7.23 -1.26 -0.12 120.40 108.47 3dvb s VAL 31 Ca 0.76 -1.81 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 3dvb s VAL 31 Cb -0.02 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3dvb s VAL 31 CO 0.53 -0.43 0.63 -0.62 -0.31 0.00 0.00 175.10 174.90 3dvb s ASP 32 N -3.03 6.94 -0.44 4.85 2.15 -1.26 -3.29 116.67 122.59 3dvb s ASP 32 Ca 0.23 1.13 -0.19 0.00 0.43 0.00 0.00 52.55 54.15 3dvb s ASP 32 Cb 0.07 -2.38 0.03 0.00 -0.30 0.00 0.00 42.92 40.34 3dvb s ASP 32 CO 0.01 -0.01 0.53 -0.63 -0.17 0.00 0.00 175.17 174.90 3dvb s ILE 33 N 0.37 4.98 -0.51 4.11 1.01 0.21 -4.95 121.20 126.42 3dvb s ILE 33 Ca 0.33 -0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.48 3dvb s ILE 33 Cb -0.18 -4.13 0.04 0.00 0.01 0.00 0.00 42.46 38.20 3dvb s ILE 33 CO 0.17 -0.54 0.87 -0.62 0.00 0.00 0.00 174.94 174.81 3dvb s ASP 34 N 2.04 6.36 0.60 3.58 -1.08 -1.26 -0.85 116.67 126.05 3dvb s ASP 34 Ca 0.15 -0.31 0.34 0.00 -0.52 0.00 0.00 52.55 52.21 3dvb s ASP 34 Cb -0.17 -2.41 1.92 0.00 -1.46 0.00 0.00 42.92 40.80 3dvb s ASP 34 CO 0.15 -1.10 2.25 0.71 0.52 0.00 0.00 175.17 177.70 3dvb h THR 35 N 6.00 0.37 0.00 1.71 1.35 -1.95 -1.87 112.91 118.52 3dvb h THR 35 Ca -0.26 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3dvb h THR 35 Cb 1.08 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3dvb h THR 35 CO 1.04 0.02 -0.64 0.45 -0.25 0.00 0.00 175.52 176.14 3dvb h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.32 115.15 118.39 3dvb h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dvb h HIS 36 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3dvb h HIS 36 CO 0.00 0.00 -0.98 2.41 0.86 0.00 0.00 177.93 180.22 3dvb n THR 37 N -2.19 0.00 -2.03 2.45 -1.04 -0.87 -4.96 114.28 105.64 3dvb n THR 37 Ca 0.03 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.05 61.51 3dvb n THR 37 Cb 0.45 0.84 0.01 0.00 -1.82 0.00 0.00 70.33 69.81 3dvb n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dvb s ALA 38 N -2.73 3.08 -0.25 2.41 0.00 -0.76 -4.84 121.76 118.66 3dvb s ALA 38 Ca 0.04 1.19 -0.08 0.00 0.00 0.00 0.00 51.96 53.11 3dvb s ALA 38 Cb 0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3dvb s ALA 38 CO 0.71 -0.93 0.11 0.21 0.00 0.00 0.00 175.76 175.86 3dvb s LYS 39 N -2.53 3.77 0.01 0.00 2.47 -0.33 -4.88 119.74 118.25 3dvb s LYS 39 Ca 0.62 -0.42 -0.30 0.00 -1.56 0.00 0.00 55.97 54.31 3dvb s LYS 39 Cb -0.36 -3.42 -0.06 0.00 -1.46 0.00 0.00 37.83 32.53 3dvb s LYS 39 CO 0.45 -0.15 1.43 -0.47 0.16 0.00 0.00 175.35 176.77 3dvb s TYR 40 N 1.55 2.80 -0.32 4.03 5.04 -1.26 -0.43 117.35 128.75 3dvb s TYR 40 Ca 0.06 0.76 0.01 0.00 -2.44 0.00 0.00 57.07 55.46 3dvb s TYR 40 Cb -0.15 -3.70 0.08 0.00 0.35 0.00 0.00 41.96 38.54 3dvb s TYR 40 CO 0.06 -2.61 0.03 0.34 -1.34 0.00 0.00 175.55 172.03 3dvb s ASP 41 N 1.95 4.83 0.04 4.32 -1.08 -0.55 -4.88 116.67 121.30 3dvb s ASP 41 Ca 0.65 -1.73 0.11 0.00 -0.52 0.00 0.00 52.55 51.07 3dvb s ASP 41 Cb -0.32 -1.67 0.49 0.00 -1.46 0.00 0.00 42.92 39.96 3dvb s ASP 41 CO 0.27 -0.34 1.35 -0.81 0.52 0.00 0.00 175.17 176.17 3dvb n PRO 42 N 4.46 0.03 0.20 4.34 -0.04 -1.26 -2.06 135.00 140.66 3dvb n PRO 42 Ca -0.06 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 3dvb n PRO 42 Cb 0.42 -1.56 0.16 0.00 -0.04 0.00 0.00 33.50 32.48 3dvb n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3dvb h SER 43 N 0.00 0.00 -3.32 3.54 0.87 -1.96 -3.45 113.55 109.23 3dvb h SER 43 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 3dvb h SER 43 Cb 0.17 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.18 3dvb h SER 43 CO 0.00 0.14 0.74 -0.76 -0.53 0.00 0.00 176.83 176.42 3dvb s LEU 44 N -6.29 4.39 0.40 2.23 1.43 -0.88 -5.02 118.68 114.94 3dvb s LEU 44 Ca 0.06 2.58 -0.01 0.00 -1.03 0.00 0.00 54.13 55.72 3dvb s LEU 44 Cb 0.06 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 3dvb s LEU 44 CO 0.68 -0.66 0.63 -0.54 0.23 0.00 0.00 176.35 176.69 3dvb s LYS 45 N -0.11 3.46 0.70 1.70 1.02 -1.23 -4.99 119.74 120.29 3dvb s LYS 45 Ca 0.60 -0.19 -0.15 0.00 0.02 0.00 0.00 55.97 56.25 3dvb s LYS 45 Cb -0.40 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 3dvb s LYS 45 CO 0.40 0.00 1.15 -2.14 -0.92 0.00 0.00 175.35 173.85 3dvb s PRO 46 N -4.47 2.47 0.44 -1.68 0.02 -1.26 -2.81 135.00 127.71 3dvb s PRO 46 Ca 0.43 1.55 -0.22 0.00 0.02 0.00 0.00 61.00 62.78 3dvb s PRO 46 Cb -0.10 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 3dvb s PRO 46 CO 0.39 -1.54 1.03 -0.51 -0.33 0.00 0.00 177.00 176.04 3dvb s LEU 47 N -5.03 3.99 -0.32 -5.54 1.43 -1.26 -1.81 118.68 110.13 3dvb s LEU 47 Ca 0.70 1.95 0.03 0.00 -1.03 0.00 0.00 54.13 55.78 3dvb s LEU 47 Cb -0.24 -4.39 0.09 0.00 0.03 0.00 0.00 46.19 41.68 3dvb s LEU 47 CO 0.43 -0.60 0.03 -0.55 0.23 0.00 0.00 176.35 175.89 3dvb s SER 48 N -1.82 4.63 -0.33 2.29 0.15 -0.01 -4.88 113.70 113.73 3dvb s SER 48 Ca 0.62 -1.98 -0.09 0.00 0.70 0.00 0.00 55.95 55.20 3dvb s SER 48 Cb -0.18 -1.54 0.01 0.00 -1.71 0.00 0.00 66.02 62.60 3dvb s SER 48 CO 0.22 -0.35 0.15 -0.69 1.20 0.00 0.00 173.24 173.77 3dvb s VAL 49 N 1.01 4.45 -0.59 4.45 1.01 -1.26 -1.28 120.40 128.19 3dvb s VAL 49 Ca 0.08 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3dvb s VAL 49 Cb -0.19 -3.34 0.15 0.00 0.00 0.00 0.00 36.38 33.00 3dvb s VAL 49 CO -0.09 -0.02 0.38 -0.44 0.00 0.00 0.00 175.10 174.93 3dvb s SER 50 N 1.57 4.99 -0.00 3.32 0.01 -0.55 -4.88 113.70 118.14 3dvb s SER 50 Ca 0.03 -2.87 0.11 0.00 1.31 0.00 0.00 55.95 54.53 3dvb s SER 50 Cb -0.18 -1.79 0.32 0.00 0.21 0.00 0.00 66.02 64.58 3dvb s SER 50 CO 0.06 -0.34 1.26 -1.22 0.41 0.00 0.00 173.24 173.41 3dvb n TYR 51 N 3.42 0.48 0.27 2.43 4.01 -1.26 -1.79 117.16 124.72 3dvb n TYR 51 Ca 0.07 -0.51 0.11 0.00 -0.16 0.00 0.00 57.90 57.41 3dvb n TYR 51 Cb 0.36 -0.03 0.74 0.00 -0.31 0.00 0.00 39.34 40.10 3dvb n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3dvb h ASP 52 N 2.06 0.00 -0.38 7.72 2.03 -1.90 -2.47 116.42 123.48 3dvb h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3dvb h ASP 52 Cb 0.75 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 3dvb h ASP 52 CO 0.01 0.03 0.00 0.00 -1.03 0.00 0.00 179.24 178.24 3dvb n GLN 53 N -4.18 3.42 -1.78 4.15 1.13 -1.24 -5.03 117.38 113.85 3dvb n GLN 53 Ca -0.03 -2.82 -0.41 0.00 -1.94 0.00 0.00 57.00 51.80 3dvb n GLN 53 Cb 0.11 -1.87 -0.00 0.00 0.11 0.00 0.00 30.24 28.59 3dvb n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3dvb s ALA 54 N -2.48 3.61 -0.34 -1.58 0.00 -0.93 -4.57 121.76 115.47 3dvb s ALA 54 Ca 0.43 1.59 0.02 0.00 0.00 0.00 0.00 51.96 54.01 3dvb s ALA 54 Cb 0.33 -3.62 0.10 0.00 0.00 0.00 0.00 23.12 19.93 3dvb s ALA 54 CO 0.13 -1.06 0.08 0.99 0.00 0.00 0.00 175.76 175.89 3dvb s THR 55 N -0.92 1.77 0.45 0.00 2.01 -1.26 -4.91 115.64 112.78 3dvb s THR 55 Ca 0.55 -2.05 -0.21 0.00 0.31 0.00 0.00 61.69 60.30 3dvb s THR 55 Cb -0.47 -2.32 -0.10 0.00 0.01 0.00 0.00 72.50 69.62 3dvb s THR 55 CO 0.61 -0.64 0.98 -0.94 -0.69 0.00 0.00 174.62 173.94 3dvb s SER 56 N 1.11 6.74 0.00 3.53 1.04 -1.26 -0.92 113.70 123.93 3dvb s SER 56 Ca 0.11 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.31 3dvb s SER 56 Cb -0.19 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3dvb s SER 56 CO -0.14 -0.50 0.00 0.18 0.98 0.00 0.00 173.24 173.76 3dvb n LEU 57 N -0.74 2.02 -3.45 2.42 4.77 0.45 -4.12 117.00 118.34 3dvb n LEU 57 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 3dvb n LEU 57 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 3dvb n LEU 57 CO 0.38 0.32 0.41 -0.60 -1.33 0.00 0.00 177.39 176.57 3dvb s ARG 58 N -1.84 1.31 -0.07 3.23 3.52 -1.20 -1.94 118.95 121.96 3dvb s ARG 58 Ca 0.00 -0.50 0.05 0.00 -0.13 0.00 0.00 55.73 55.14 3dvb s ARG 58 Cb 0.00 0.59 -0.00 0.00 -1.56 0.00 0.00 34.95 33.98 3dvb s ARG 58 CO 0.00 -0.58 -0.21 -1.50 -0.81 0.00 0.00 175.30 172.20 3dvb s ILE 59 N -3.75 1.80 -0.01 4.11 2.07 -0.54 -0.40 121.20 124.48 3dvb s ILE 59 Ca 0.02 -0.90 0.01 0.00 -1.41 0.00 0.00 60.65 58.37 3dvb s ILE 59 Cb -0.01 -1.55 0.00 0.00 0.13 0.00 0.00 42.46 41.03 3dvb s ILE 59 CO -0.12 0.51 -0.04 -0.22 -1.91 0.00 0.00 174.94 173.16 3dvb s LEU 60 N 0.13 1.88 -0.47 8.50 2.96 -0.12 -1.35 118.68 130.21 3dvb s LEU 60 Ca -0.10 -0.08 -0.23 0.00 -0.22 0.00 0.00 54.13 53.50 3dvb s LEU 60 Cb -0.15 -0.25 0.03 0.00 0.50 0.00 0.00 46.19 46.32 3dvb s LEU 60 CO 0.05 0.04 0.82 0.21 -1.32 0.00 0.00 176.35 176.14 3dvb s ASN 61 N 0.06 6.40 0.00 3.68 3.84 -0.48 -0.63 114.94 127.81 3dvb s ASN 61 Ca -0.00 -0.17 0.16 0.00 0.21 0.00 0.00 52.86 53.06 3dvb s ASN 61 Cb -0.04 -2.40 0.47 0.00 -0.55 0.00 0.00 41.25 38.73 3dvb s ASN 61 CO -0.00 -0.98 1.38 1.33 -2.79 0.00 0.00 177.10 176.03 3dvb n VAL 62 N 6.16 0.49 0.00 -5.21 0.24 -0.28 -0.91 118.33 118.82 3dvb n VAL 62 Ca 0.02 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 3dvb n VAL 62 Cb 0.48 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 3dvb n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dvb n GLY 63 N 1.20 2.91 0.66 7.63 0.00 -1.26 -4.68 105.19 111.65 3dvb n GLY 63 Ca 0.15 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.52 3dvb n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3dvb n HIS 64 N 0.00 0.00 -1.90 1.61 1.44 -1.26 -4.42 115.22 110.69 3dvb n HIS 64 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3dvb n HIS 64 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3dvb n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dvb n ALA 65 N 0.55 0.00 -2.43 1.59 0.00 -1.26 -4.89 120.51 114.07 3dvb n ALA 65 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 3dvb n ALA 65 Cb 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 3dvb n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3dvb s PHE 66 N -2.61 1.95 -0.07 0.00 -0.71 -1.26 -1.12 117.98 114.15 3dvb s PHE 66 Ca 0.00 -0.38 0.02 0.00 -1.04 0.00 0.00 56.93 55.53 3dvb s PHE 66 Cb 0.00 -1.26 -0.02 0.00 -1.21 0.00 0.00 43.02 40.53 3dvb s PHE 66 CO 0.00 -0.04 -0.12 -0.80 -1.34 0.00 0.00 175.22 172.91 3dvb s ASN 67 N -0.48 4.17 -0.31 1.98 0.02 0.20 -4.30 114.94 116.21 3dvb s ASN 67 Ca 0.08 -0.18 -0.10 0.00 -1.02 0.00 0.00 52.86 51.63 3dvb s ASN 67 Cb -0.09 -1.07 -0.01 0.00 0.02 0.00 0.00 41.25 40.10 3dvb s ASN 67 CO -0.01 0.31 0.17 -0.69 0.02 0.00 0.00 177.10 176.90 3dvb s VAL 68 N -0.53 4.74 0.07 1.60 1.01 -0.26 -0.95 120.40 126.09 3dvb s VAL 68 Ca 0.07 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 3dvb s VAL 68 Cb -0.12 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3dvb s VAL 68 CO 0.02 0.08 0.35 -1.61 0.00 0.00 0.00 175.10 173.93 3dvb s GLU 69 N 1.64 3.66 0.21 2.72 2.02 0.46 -1.82 118.70 127.60 3dvb s GLU 69 Ca 0.05 0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.16 3dvb s GLU 69 Cb -0.17 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 3dvb s GLU 69 CO 0.07 0.57 -0.19 -0.06 0.02 0.00 0.00 175.26 175.67 3dvb s PHE 70 N -1.42 2.03 -0.26 1.61 0.40 -0.36 -0.41 117.98 119.56 3dvb s PHE 70 Ca 0.33 -0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 3dvb s PHE 70 Cb -0.13 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.44 3dvb s PHE 70 CO 0.19 0.48 1.35 0.34 0.70 0.00 0.00 175.22 178.28 3dvb s ASP 71 N -3.05 6.67 -0.28 1.36 2.15 -0.10 -4.82 116.67 118.59 3dvb s ASP 71 Ca 0.22 1.36 0.09 0.00 0.43 0.00 0.00 52.55 54.64 3dvb s ASP 71 Cb -0.05 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.50 3dvb s ASP 71 CO 0.10 -1.06 1.37 -0.90 -0.17 0.00 0.00 175.17 174.51 3dvb n ASP 72 N 7.59 2.87 -0.17 -0.34 5.75 -1.26 -4.61 116.55 126.37 3dvb n ASP 72 Ca 0.15 -3.83 0.13 0.00 -0.01 0.00 0.00 54.79 51.24 3dvb n ASP 72 Cb 0.46 -0.57 0.45 0.00 -1.03 0.00 0.00 41.12 40.43 3dvb n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3dvb n SER 73 N -1.05 0.76 -3.98 -1.12 3.41 -1.26 -4.90 113.62 105.49 3dvb n SER 73 Ca 0.32 -0.68 -0.10 0.00 -0.26 0.00 0.00 58.87 58.15 3dvb n SER 73 Cb 0.90 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.85 3dvb n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dvb s GLN 74 N -2.56 1.39 -1.50 4.33 -0.21 -1.26 -5.06 119.66 114.79 3dvb s GLN 74 Ca 0.24 -1.22 -0.12 0.00 0.02 0.00 0.00 55.36 54.28 3dvb s GLN 74 Cb 0.19 0.43 0.01 0.00 1.00 0.00 0.00 33.01 34.64 3dvb s GLN 74 CO 0.52 -0.55 2.47 -0.25 -2.12 0.00 0.00 175.29 175.36 3dvb n ASP 75 N -0.32 5.74 -0.05 5.90 8.00 -1.26 -4.58 116.55 129.97 3dvb n ASP 75 Ca -0.04 -2.77 -0.19 0.00 0.71 0.00 0.00 54.79 52.50 3dvb n ASP 75 Cb 0.63 -1.61 -0.13 0.00 -0.02 0.00 0.00 41.12 39.99 3dvb n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3dvb h LYS 76 N 5.60 0.09 -4.38 -1.24 1.57 -1.86 -3.44 116.57 112.91 3dvb h LYS 76 Ca 0.67 -0.15 -0.62 0.00 -1.87 0.00 0.00 60.65 58.67 3dvb h LYS 76 Cb 0.51 0.06 -0.39 0.00 0.08 0.00 0.00 32.23 32.49 3dvb h LYS 76 CO 1.83 1.07 -0.77 0.00 -0.57 0.00 0.00 179.45 181.01 3dvb s ALA 77 N -2.36 2.17 0.16 3.86 0.00 -1.26 -3.69 121.76 120.64 3dvb s ALA 77 Ca -0.22 -1.68 0.07 0.00 0.00 0.00 0.00 51.96 50.12 3dvb s ALA 77 Cb 0.03 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 3dvb s ALA 77 CO 0.69 -1.35 -0.14 0.14 0.00 0.00 0.00 175.76 175.09 3dvb s VAL 78 N 1.29 1.52 -0.09 0.00 -7.23 -0.74 -0.88 120.40 114.27 3dvb s VAL 78 Ca -0.01 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 3dvb s VAL 78 Cb -0.19 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 34.95 3dvb s VAL 78 CO -0.09 -0.51 -0.22 -0.22 -0.31 0.00 0.00 175.10 173.75 3dvb s LEU 79 N -2.89 2.02 0.32 1.32 2.96 0.69 -1.49 118.68 121.62 3dvb s LEU 79 Ca 0.16 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3dvb s LEU 79 Cb -0.02 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 3dvb s LEU 79 CO 0.04 0.15 0.35 -0.54 -1.32 0.00 0.00 176.35 175.04 3dvb s LYS 80 N 0.31 1.77 2.27 1.98 1.02 -0.40 -1.79 119.74 124.90 3dvb s LYS 80 Ca -0.16 -1.88 0.00 0.00 0.02 0.00 0.00 55.97 53.95 3dvb s LYS 80 Cb -0.17 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 3dvb s LYS 80 CO 0.07 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.23 3dvb n GLY 81 N -0.57 -0.92 7.00 -3.33 0.00 -1.26 -0.83 105.19 105.28 3dvb n GLY 81 Ca 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3dvb n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dvb n GLY 82 N 0.00 3.23 0.61 -0.02 0.00 -0.75 -1.44 105.19 106.82 3dvb n GLY 82 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.88 3dvb n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dvb n PRO 83 N 13.92 1.80 -3.15 1.61 -0.04 -1.26 -3.50 135.00 144.38 3dvb n PRO 83 Ca 0.00 -1.21 -0.34 0.00 -0.04 0.00 0.00 63.50 61.91 3dvb n PRO 83 Cb 0.00 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 3dvb n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dvb s LEU 84 N -1.55 4.20 -0.23 1.53 1.43 -0.52 -5.07 118.68 118.47 3dvb s LEU 84 Ca 0.33 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 3dvb s LEU 84 Cb 0.18 -3.79 0.04 0.00 0.03 0.00 0.00 46.19 42.64 3dvb s LEU 84 CO 0.26 -0.08 -0.11 -1.81 0.23 0.00 0.00 176.35 174.84 3dvb s ASP 85 N -1.98 4.04 0.00 2.29 1.01 -1.26 -4.38 116.67 116.39 3dvb s ASP 85 Ca 0.48 -0.99 0.00 0.00 0.71 0.00 0.00 52.55 52.75 3dvb s ASP 85 Cb -0.13 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.22 3dvb s ASP 85 CO 0.19 -0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.07 3dvb n GLY 86 N 4.58 -1.57 3.49 0.21 0.00 -1.26 -4.99 105.19 105.65 3dvb n GLY 86 Ca -0.17 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.39 3dvb n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dvb s THR 87 N -0.16 3.67 -0.15 2.61 2.01 -1.26 -4.59 115.64 117.77 3dvb s THR 87 Ca 0.00 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.56 3dvb s THR 87 Cb 0.00 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.94 3dvb s THR 87 CO 0.00 0.53 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.98 3dvb s TYR 88 N 0.08 2.76 -0.04 4.92 1.51 -0.74 -1.59 117.35 124.25 3dvb s TYR 88 Ca -0.02 -1.15 -0.17 0.00 -1.01 0.00 0.00 57.07 54.73 3dvb s TYR 88 Cb -0.14 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 3dvb s TYR 88 CO 0.03 -0.53 0.47 1.03 -1.11 0.00 0.00 175.55 175.44 3dvb s ARG 89 N 0.87 4.17 0.07 -0.62 0.52 -0.15 -0.22 118.95 123.57 3dvb s ARG 89 Ca -0.05 0.49 -0.31 0.00 -0.52 0.00 0.00 55.73 55.35 3dvb s ARG 89 Cb -0.15 -3.32 -0.07 0.00 0.52 0.00 0.00 34.95 31.93 3dvb s ARG 89 CO -0.01 0.44 1.34 -1.17 0.02 0.00 0.00 175.30 175.92 3dvb s LEU 90 N -0.31 4.35 -0.08 2.53 2.96 -0.06 -1.20 118.68 126.88 3dvb s LEU 90 Ca 0.26 2.19 0.03 0.00 -0.22 0.00 0.00 54.13 56.38 3dvb s LEU 90 Cb -0.17 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.88 3dvb s LEU 90 CO 0.13 -0.62 -0.03 0.00 -1.32 0.00 0.00 176.35 174.50 3dvb n ILE 91 N 4.14 0.46 -3.52 6.68 3.06 -0.33 -4.56 119.36 125.30 3dvb n ILE 91 Ca 0.11 -0.22 -0.08 0.00 -2.50 0.00 0.00 62.75 60.06 3dvb n ILE 91 Cb 0.44 -0.81 -0.02 0.00 0.54 0.00 0.00 39.64 39.79 3dvb n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dvb s GLN 92 N -2.16 0.81 0.07 9.51 1.03 -1.22 -1.22 119.66 126.48 3dvb s GLN 92 Ca -0.08 -0.31 0.03 0.00 0.04 0.00 0.00 55.36 55.04 3dvb s GLN 92 Cb 0.02 0.37 -0.03 0.00 0.03 0.00 0.00 33.01 33.40 3dvb s GLN 92 CO 0.22 -0.35 -0.09 -0.59 -2.54 0.00 0.00 175.29 171.94 3dvb s PHE 93 N -3.09 0.86 0.32 9.60 -0.12 -0.75 -0.83 117.98 123.96 3dvb s PHE 93 Ca 0.05 -0.63 -0.14 0.00 -0.05 0.00 0.00 56.93 56.17 3dvb s PHE 93 Cb -0.01 -0.49 0.02 0.00 -0.63 0.00 0.00 43.02 41.91 3dvb s PHE 93 CO -0.08 -0.07 0.64 -3.38 -0.05 0.00 0.00 175.22 172.28 3dvb s HIS 94 N -2.14 0.30 0.30 3.49 -3.43 -0.68 -1.10 115.29 112.03 3dvb s HIS 94 Ca -0.01 -0.76 0.05 0.00 -0.80 0.00 0.00 55.06 53.54 3dvb s HIS 94 Cb -0.05 0.47 -0.06 0.00 -1.43 0.00 0.00 32.58 31.52 3dvb s HIS 94 CO -0.01 -1.28 0.01 -0.06 -2.00 0.00 0.00 174.74 171.41 3dvb s PHE 95 N -3.22 1.94 -0.02 0.38 0.40 -1.26 -0.77 117.98 115.42 3dvb s PHE 95 Ca 0.19 -0.86 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 3dvb s PHE 95 Cb -0.03 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.29 3dvb s PHE 95 CO 0.12 0.11 -0.08 -1.01 0.70 0.00 0.00 175.22 175.05 3dvb s HIS 96 N -3.19 0.87 0.23 0.36 3.76 -0.44 -4.78 115.29 112.10 3dvb s HIS 96 Ca 0.33 -0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 54.92 3dvb s HIS 96 Cb 0.07 -0.63 -0.01 0.00 1.11 0.00 0.00 32.58 33.12 3dvb s HIS 96 CO 0.14 -0.10 0.42 1.67 -0.85 0.00 0.00 174.74 176.02 3dvb s TRP 97 N 0.22 0.43 0.46 1.40 -2.14 -1.21 -1.06 118.94 117.05 3dvb s TRP 97 Ca -0.03 -0.78 0.04 0.00 2.66 0.00 0.00 56.10 57.99 3dvb s TRP 97 Cb -0.08 0.09 0.04 0.00 -3.10 0.00 0.00 33.47 30.42 3dvb s TRP 97 CO 0.00 -0.92 0.34 0.41 -2.66 0.00 0.00 176.95 174.12 3dvb n GLY 98 N -0.35 2.81 0.06 3.67 0.00 -1.18 -1.10 105.19 109.10 3dvb n GLY 98 Ca -0.02 -2.28 0.12 0.00 0.00 0.00 0.00 46.02 43.84 3dvb n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dvb n SER 99 N -1.85 0.69 -4.13 1.61 3.41 -1.26 -4.36 113.62 107.73 3dvb n SER 99 Ca -0.02 0.10 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 3dvb n SER 99 Cb 0.53 0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 64.56 3dvb n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dvb s LEU 100 N -4.18 2.38 0.62 1.04 1.43 -1.26 -5.04 118.68 113.66 3dvb s LEU 100 Ca 0.06 -0.77 0.40 0.00 -1.03 0.00 0.00 54.13 52.79 3dvb s LEU 100 Cb 0.14 -0.19 2.05 0.00 0.03 0.00 0.00 46.19 48.21 3dvb s LEU 100 CO 0.72 -0.29 2.24 0.44 0.23 0.00 0.00 176.35 179.69 3dvb h ASP 101 N 3.74 0.00 -0.00 2.29 3.32 -1.92 -2.77 116.42 121.09 3dvb h ASP 101 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3dvb h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3dvb h ASP 101 CO 0.52 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 3dvb n GLY 102 N -0.75 -0.98 3.41 2.75 0.00 -1.26 -3.60 105.19 104.76 3dvb n GLY 102 Ca -0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3dvb n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dvb s GLN 103 N -2.00 1.24 0.00 1.61 -2.07 -1.05 -4.69 119.66 112.70 3dvb s GLN 103 Ca 0.45 -1.01 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 3dvb s GLN 103 Cb 0.21 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.57 3dvb s GLN 103 CO 0.35 -0.49 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 3dvb n GLY 104 N -0.26 2.01 3.84 2.60 0.00 -1.06 -3.11 105.19 109.21 3dvb n GLY 104 Ca -0.09 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3dvb n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dvb s SER 105 N 0.00 6.06 -0.21 1.61 1.04 -0.66 -3.30 113.70 118.25 3dvb s SER 105 Ca 0.00 1.56 -0.17 0.00 0.48 0.00 0.00 55.95 57.82 3dvb s SER 105 Cb 0.00 -2.49 -0.14 0.00 0.10 0.00 0.00 66.02 63.49 3dvb s SER 105 CO 0.00 -0.98 -0.02 -0.62 0.98 0.00 0.00 173.24 172.60 3dvb n GLU 106 N -2.45 0.55 -2.26 4.02 1.02 -1.26 -4.84 120.64 115.42 3dvb n GLU 106 Ca 0.07 0.48 -0.32 0.00 -0.02 0.00 0.00 57.16 57.37 3dvb n GLU 106 Cb 0.54 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 3dvb n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3dvb s HIS 107 N -2.41 3.39 0.12 -0.32 3.76 -1.26 -4.40 115.29 114.17 3dvb s HIS 107 Ca -0.28 1.45 0.05 0.00 -0.15 0.00 0.00 55.06 56.13 3dvb s HIS 107 Cb 0.07 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.90 3dvb s HIS 107 CO 0.49 -0.55 -0.12 0.95 -0.85 0.00 0.00 174.74 174.67 3dvb s THR 108 N -2.66 1.16 -0.26 1.30 -4.23 -1.21 -4.71 115.64 105.03 3dvb s THR 108 Ca 0.59 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 3dvb s THR 108 Cb -0.11 -1.57 0.06 0.00 1.34 0.00 0.00 72.50 72.22 3dvb s THR 108 CO 0.35 -0.56 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.07 3dvb s VAL 109 N -2.58 2.13 -1.42 2.29 1.01 -0.83 -0.62 120.40 120.38 3dvb s VAL 109 Ca 0.10 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.41 3dvb s VAL 109 Cb -0.02 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.16 3dvb s VAL 109 CO 0.01 -0.02 0.93 0.47 0.00 0.00 0.00 175.10 176.50 3dvb n ASP 110 N 4.45 -3.77 0.00 3.32 8.00 -0.03 -1.06 116.55 127.46 3dvb n ASP 110 Ca -0.14 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.62 3dvb n ASP 110 Cb 0.42 -4.20 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 3dvb n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dvb n LYS 111 N -4.58 0.00 -2.62 -1.24 4.76 -1.26 -4.99 118.16 108.22 3dvb n LYS 111 Ca -0.09 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.93 3dvb n LYS 111 Cb 0.59 -2.85 -0.03 0.00 -1.84 0.00 0.00 35.03 30.90 3dvb n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3dvb s LYS 112 N -0.21 4.54 -0.03 1.97 2.20 -0.22 -5.01 119.74 122.98 3dvb s LYS 112 Ca 0.00 1.54 -0.03 0.00 -0.36 0.00 0.00 55.97 57.12 3dvb s LYS 112 Cb 0.00 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3dvb s LYS 112 CO 0.00 -0.07 0.13 0.15 -0.36 0.00 0.00 175.35 175.20 3dvb s LYS 113 N 0.82 3.28 0.39 4.03 1.02 -1.26 -1.96 119.74 126.06 3dvb s LYS 113 Ca 0.53 -0.35 0.08 0.00 0.02 0.00 0.00 55.97 56.25 3dvb s LYS 113 Cb -0.24 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 3dvb s LYS 113 CO 0.29 0.69 0.37 0.71 -0.92 0.00 0.00 175.35 176.49 3dvb s TYR 114 N -1.20 2.79 0.38 3.18 2.02 -1.26 -4.75 117.35 118.50 3dvb s TYR 114 Ca 0.23 -0.42 0.17 0.00 -0.37 0.00 0.00 57.07 56.68 3dvb s TYR 114 Cb -0.12 -2.07 0.95 0.00 -0.40 0.00 0.00 41.96 40.32 3dvb s TYR 114 CO 0.14 -0.05 1.91 0.00 -1.57 0.00 0.00 175.55 175.98 3dvb h ALA 115 N 1.06 1.40 -2.49 3.71 0.00 -1.48 -1.68 119.26 119.78 3dvb h ALA 115 Ca -0.42 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.40 3dvb h ALA 115 Cb 1.26 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 3dvb h ALA 115 CO 0.56 0.34 0.44 0.00 0.00 0.00 0.00 179.25 180.59 3dvb s ALA 116 N -4.25 -1.55 -0.05 0.00 0.00 -1.18 -3.20 121.76 111.53 3dvb s ALA 116 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 3dvb s ALA 116 Cb 0.14 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.98 3dvb s ALA 116 CO 0.68 -1.04 0.11 -2.00 0.00 0.00 0.00 175.76 173.51 3dvb s GLU 117 N -3.33 0.06 -0.17 0.00 2.12 -0.23 -1.47 118.70 115.69 3dvb s GLU 117 Ca 0.13 0.30 -0.11 0.00 0.36 0.00 0.00 54.97 55.65 3dvb s GLU 117 Cb -0.02 -0.18 -0.05 0.00 0.26 0.00 0.00 34.13 34.14 3dvb s GLU 117 CO 0.04 -0.15 0.18 -1.17 -0.54 0.00 0.00 175.26 173.62 3dvb s LEU 118 N 1.05 4.26 -0.19 2.70 2.96 0.77 -1.33 118.68 128.89 3dvb s LEU 118 Ca -0.08 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 3dvb s LEU 118 Cb -0.11 -2.18 0.03 0.00 0.50 0.00 0.00 46.19 44.43 3dvb s LEU 118 CO -0.05 0.21 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.02 3dvb s HIS 119 N 0.08 2.78 -0.37 5.38 3.76 0.05 -1.02 115.29 125.96 3dvb s HIS 119 Ca 0.12 -1.73 -0.12 0.00 -0.15 0.00 0.00 55.06 53.18 3dvb s HIS 119 Cb -0.12 -1.87 0.02 0.00 1.11 0.00 0.00 32.58 31.72 3dvb s HIS 119 CO 0.01 -0.80 0.21 -0.51 -0.85 0.00 0.00 174.74 172.80 3dvb s LEU 120 N 1.28 4.65 -0.17 0.89 1.43 -0.43 -1.69 118.68 124.63 3dvb s LEU 120 Ca 0.02 -0.84 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 3dvb s LEU 120 Cb -0.15 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3dvb s LEU 120 CO -0.11 -0.35 0.44 -0.69 0.23 0.00 0.00 176.35 175.87 3dvb s VAL 121 N 1.60 5.18 0.07 -1.59 1.01 -0.01 -1.35 120.40 125.31 3dvb s VAL 121 Ca 0.03 0.82 0.06 0.00 0.00 0.00 0.00 61.98 62.90 3dvb s VAL 121 Cb -0.19 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3dvb s VAL 121 CO 0.07 0.27 -0.17 -1.00 0.00 0.00 0.00 175.10 174.27 3dvb s HIS 122 N 1.11 1.47 0.08 5.22 3.76 -0.40 -1.18 115.29 125.36 3dvb s HIS 122 Ca 0.22 -0.41 0.09 0.00 -0.15 0.00 0.00 55.06 54.81 3dvb s HIS 122 Cb -0.15 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.68 3dvb s HIS 122 CO 0.09 0.10 -0.24 1.67 -0.85 0.00 0.00 174.74 175.51 3dvb s TRP 123 N -1.08 2.09 -0.21 1.40 1.48 -0.34 -1.24 118.94 121.04 3dvb s TRP 123 Ca 0.03 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.38 3dvb s TRP 123 Cb -0.09 -1.19 -0.03 0.00 -1.16 0.00 0.00 33.47 31.00 3dvb s TRP 123 CO 0.03 0.20 1.66 1.21 -4.06 0.00 0.00 176.95 175.98 3dvb s ASN 124 N -1.60 6.33 0.65 -2.66 3.84 0.53 -0.98 114.94 121.05 3dvb s ASN 124 Ca 0.10 1.68 0.43 0.00 0.21 0.00 0.00 52.86 55.28 3dvb s ASN 124 Cb -0.10 -2.53 2.32 0.00 -0.55 0.00 0.00 41.25 40.40 3dvb s ASN 124 CO 0.04 -1.29 2.31 0.71 -2.79 0.00 0.00 177.10 176.08 3dvb h THR 125 N 6.17 0.00 0.00 -5.21 1.35 -1.64 -2.17 112.91 111.41 3dvb h THR 125 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3dvb h THR 125 Cb 1.16 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3dvb h THR 125 CO 1.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.56 3dvb n LYS 127 N -3.02 0.16 -0.07 4.72 2.85 -1.26 -2.25 118.16 119.29 3dvb n LYS 127 Ca -0.03 0.44 0.12 0.00 -1.05 0.00 0.00 58.31 57.79 3dvb n LYS 127 Cb 0.09 -1.84 0.29 0.00 -0.65 0.00 0.00 35.03 32.92 3dvb n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3dvb n TYR 128 N -2.15 0.19 0.00 5.58 4.01 -0.82 -4.99 117.16 118.98 3dvb n TYR 128 Ca 0.02 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3dvb n TYR 128 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3dvb n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dvb n GLY 129 N 1.30 1.39 3.37 2.72 0.00 -0.95 -4.56 105.19 108.44 3dvb n GLY 129 Ca 0.17 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3dvb n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dvb s ASP 130 N 0.00 -0.11 0.23 1.61 1.47 -1.26 -5.06 116.67 113.55 3dvb s ASP 130 Ca 0.00 -0.57 -0.06 0.00 1.18 0.00 0.00 52.55 53.10 3dvb s ASP 130 Cb 0.00 0.47 0.32 0.00 -0.34 0.00 0.00 42.92 43.38 3dvb s ASP 130 CO 0.00 -0.90 1.82 0.15 0.68 0.00 0.00 175.17 176.91 3dvb h PHE 131 N 2.42 0.81 -0.71 2.11 3.57 -1.94 -1.78 116.94 121.42 3dvb h PHE 131 Ca -0.32 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.24 3dvb h PHE 131 Cb 1.24 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 3dvb h PHE 131 CO 0.37 0.36 0.47 0.78 -2.23 0.00 0.00 178.31 178.06 3dvb h GLY 132 N 0.78 0.97 1.35 2.40 0.00 -1.97 -2.24 103.07 104.37 3dvb h GLY 132 Ca 0.35 -0.34 -0.27 0.00 0.00 0.00 0.00 47.33 47.07 3dvb h GLY 132 CO -0.21 0.30 -1.14 0.50 0.00 0.00 0.00 176.54 175.99 3dvb h LYS 133 N 0.86 0.55 -0.91 4.80 1.79 -1.72 -3.32 116.57 118.62 3dvb h LYS 133 Ca 0.28 -0.68 0.04 0.00 -2.18 0.00 0.00 60.65 58.11 3dvb h LYS 133 Cb 0.04 0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 30.85 3dvb h LYS 133 CO -0.08 1.29 0.60 0.00 -1.08 0.00 0.00 179.45 180.18 3dvb h ALA 134 N 0.45 1.44 0.00 3.86 0.00 -0.81 -2.17 119.26 122.03 3dvb h ALA 134 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3dvb h ALA 134 Cb 1.80 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3dvb h ALA 134 CO 0.21 0.46 0.00 1.33 0.00 0.00 0.00 179.25 181.25 3dvb n VAL 135 N -4.45 0.84 0.31 0.00 0.24 -0.89 -1.88 118.33 112.50 3dvb n VAL 135 Ca 0.13 0.21 0.11 0.00 -2.04 0.00 0.00 64.34 62.75 3dvb n VAL 135 Cb 0.13 -0.99 0.26 0.00 -1.47 0.00 0.00 33.84 31.76 3dvb n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dvb n GLN 136 N -1.37 2.43 -4.74 7.34 1.13 -0.81 -4.66 117.38 116.69 3dvb n GLN 136 Ca 0.05 -2.18 -0.30 0.00 -1.94 0.00 0.00 57.00 52.63 3dvb n GLN 136 Cb 0.12 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.84 3dvb n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3dvb s GLN 137 N -1.43 1.94 0.62 -1.09 -1.52 -0.79 -5.03 119.66 112.37 3dvb s GLN 137 Ca 0.40 -1.05 0.37 0.00 -1.95 0.00 0.00 55.36 53.13 3dvb s GLN 137 Cb 0.22 -2.10 2.05 0.00 -0.22 0.00 0.00 33.01 32.97 3dvb s GLN 137 CO 0.31 0.53 2.28 -1.00 -0.25 0.00 0.00 175.29 177.15 3dvb h PRO 138 N 4.61 0.00 -0.08 2.91 0.13 -1.86 -2.17 132.00 135.53 3dvb h PRO 138 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 3dvb h PRO 138 Cb 1.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 3dvb h PRO 138 CO 0.46 0.01 -0.59 -0.40 -0.23 0.00 0.00 178.00 177.25 3dvb n ASP 139 N -3.41 1.98 0.03 1.44 5.75 -1.26 -4.31 116.55 116.77 3dvb n ASP 139 Ca -0.03 -3.68 -0.14 0.00 -0.01 0.00 0.00 54.79 50.93 3dvb n ASP 139 Cb 0.11 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.68 3dvb n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3dvb h GLY 140 N 1.15 0.59 -2.92 6.12 0.00 -1.28 -3.43 103.07 103.29 3dvb h GLY 140 Ca 0.02 -0.90 -0.54 0.00 0.00 0.00 0.00 47.33 45.90 3dvb h GLY 140 CO 0.09 0.80 -0.77 1.08 0.00 0.00 0.00 176.54 177.74 3dvb s LEU 141 N -8.04 2.49 -0.08 3.11 1.43 -0.02 -0.35 118.68 117.22 3dvb s LEU 141 Ca -0.07 -0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 52.09 3dvb s LEU 141 Cb 0.09 -0.90 0.03 0.00 0.03 0.00 0.00 46.19 45.44 3dvb s LEU 141 CO 0.87 -0.03 -0.02 0.00 0.23 0.00 0.00 176.35 177.41 3dvb s ALA 142 N -2.27 0.81 -0.15 4.21 0.00 -0.37 -1.17 121.76 122.82 3dvb s ALA 142 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3dvb s ALA 142 Cb -0.05 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 3dvb s ALA 142 CO 0.09 -0.39 -0.16 0.08 0.00 0.00 0.00 175.76 175.38 3dvb s VAL 143 N 1.77 2.62 -0.28 0.00 1.01 -0.95 -1.27 120.40 123.31 3dvb s VAL 143 Ca 0.03 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 3dvb s VAL 143 Cb -0.13 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3dvb s VAL 143 CO -0.05 0.52 0.52 -0.22 0.00 0.00 0.00 175.10 175.87 3dvb s LEU 144 N 0.81 4.09 -0.16 3.92 2.96 -0.45 -1.54 118.68 128.31 3dvb s LEU 144 Ca -0.05 0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 54.25 3dvb s LEU 144 Cb -0.15 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 3dvb s LEU 144 CO -0.00 -0.33 0.00 -0.83 -1.32 0.00 0.00 176.35 173.87 3dvb s GLY 145 N 1.58 1.80 -0.07 7.98 0.00 0.51 -1.32 107.32 117.80 3dvb s GLY 145 Ca 0.21 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.16 3dvb s GLY 145 CO 0.10 -0.07 -0.12 -0.42 0.00 0.00 0.00 173.10 172.59 3dvb s ILE 146 N 0.26 1.12 0.28 0.90 1.01 -0.19 -1.15 121.20 123.43 3dvb s ILE 146 Ca -0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 3dvb s ILE 146 Cb -0.13 -1.03 -0.09 0.00 0.01 0.00 0.00 42.46 41.22 3dvb s ILE 146 CO 0.02 0.35 0.79 -0.36 0.00 0.00 0.00 174.94 175.74 3dvb s PHE 147 N 0.67 3.57 -0.12 3.97 0.08 -1.26 -0.16 117.98 124.73 3dvb s PHE 147 Ca -0.14 1.45 0.02 0.00 0.12 0.00 0.00 56.93 58.38 3dvb s PHE 147 Cb -0.16 -2.68 -0.00 0.00 -0.57 0.00 0.00 43.02 39.61 3dvb s PHE 147 CO 0.04 0.22 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.67 3dvb s LEU 148 N -2.30 2.32 0.15 -0.37 1.02 -0.54 -0.81 118.68 118.15 3dvb s LEU 148 Ca 0.48 -0.49 0.09 0.00 0.02 0.00 0.00 54.13 54.24 3dvb s LEU 148 Cb -0.15 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 3dvb s LEU 148 CO 0.20 0.14 -0.16 -1.59 0.02 0.00 0.00 176.35 174.97 3dvb s LYS 149 N 0.45 1.85 -0.09 1.70 -2.85 -0.29 -2.13 119.74 118.38 3dvb s LYS 149 Ca -0.14 -1.25 -0.24 0.00 -1.00 0.00 0.00 55.97 53.34 3dvb s LYS 149 Cb -0.17 -2.10 -0.03 0.00 -2.06 0.00 0.00 37.83 33.47 3dvb s LYS 149 CO 0.06 0.46 0.76 0.08 0.10 0.00 0.00 175.35 176.81 3dvb s VAL 150 N -1.40 4.98 0.00 1.79 1.01 -1.26 -1.10 120.40 124.43 3dvb s VAL 150 Ca 0.21 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.73 3dvb s VAL 150 Cb -0.10 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3dvb s VAL 150 CO 0.12 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3dvb n GLY 151 N 3.22 -0.20 3.80 4.51 0.00 0.78 -4.89 105.19 112.42 3dvb n GLY 151 Ca 0.01 0.58 -0.34 0.00 0.00 0.00 0.00 46.02 46.27 3dvb n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dvb s SER 152 N 2.00 6.54 0.57 1.61 0.01 -1.26 -4.03 113.70 119.14 3dvb s SER 152 Ca 0.00 1.86 -0.19 0.00 1.31 0.00 0.00 55.95 58.93 3dvb s SER 152 Cb 0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 3dvb s SER 152 CO 0.00 -0.64 1.14 0.00 0.41 0.00 0.00 173.24 174.15 3dvb s ALA 153 N -2.03 2.64 -0.42 1.44 0.00 -1.26 -2.13 121.76 119.99 3dvb s ALA 153 Ca 0.65 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 3dvb s ALA 153 Cb -0.14 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.68 3dvb s ALA 153 CO 0.18 -0.90 0.29 0.21 0.00 0.00 0.00 175.76 175.53 3dvb s LYS 154 N -3.41 2.74 0.21 0.00 2.47 -1.23 -4.79 119.74 115.74 3dvb s LYS 154 Ca 0.73 -1.36 -0.10 0.00 -1.56 0.00 0.00 55.97 53.68 3dvb s LYS 154 Cb -0.24 -3.87 0.31 0.00 -1.46 0.00 0.00 37.83 32.57 3dvb s LYS 154 CO 0.30 -0.93 1.69 -1.35 0.16 0.00 0.00 175.35 175.22 3dvb h PRO 155 N 8.50 0.21 0.00 4.03 0.11 -1.91 -1.64 132.00 141.30 3dvb h PRO 155 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3dvb h PRO 155 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3dvb h PRO 155 CO 0.77 0.14 0.00 0.41 -0.21 0.00 0.00 178.00 179.11 3dvb n GLY 156 N -1.33 -0.82 0.06 -0.55 0.00 -1.26 -2.26 105.19 99.03 3dvb n GLY 156 Ca 0.09 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3dvb n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dvb n LEU 157 N -1.85 0.46 -0.26 0.99 7.94 -0.62 -4.45 117.00 119.21 3dvb n LEU 157 Ca 0.00 0.15 0.09 0.00 -1.11 0.00 0.00 56.01 55.15 3dvb n LEU 157 Cb 0.08 -0.04 0.34 0.00 0.53 0.00 0.00 43.42 44.33 3dvb n LEU 157 CO 0.08 -0.09 1.23 -0.61 -1.11 0.00 0.00 177.39 176.89 3dvb h GLN 158 N 0.00 0.76 -0.52 1.96 5.75 -1.46 -1.04 115.11 120.56 3dvb h GLN 158 Ca 0.00 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3dvb h GLN 158 Cb 0.98 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.33 3dvb h GLN 158 CO 0.00 0.50 0.35 0.87 -2.65 0.00 0.00 178.83 177.90 3dvb h LYS 159 N 0.78 0.63 -0.08 1.69 1.79 -1.78 -0.26 116.57 119.36 3dvb h LYS 159 Ca 0.41 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.78 3dvb h LYS 159 Cb 0.52 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3dvb h LYS 159 CO -0.18 0.42 -0.19 0.28 -1.08 0.00 0.00 179.45 178.70 3dvb h VAL 160 N 0.65 1.42 -0.66 0.50 2.07 -1.50 -3.26 116.25 115.47 3dvb h VAL 160 Ca 0.20 -1.53 0.07 0.00 0.82 0.00 0.00 66.70 66.26 3dvb h VAL 160 Cb 0.01 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 3dvb h VAL 160 CO -0.05 0.43 0.35 0.58 0.02 0.00 0.00 177.57 178.90 3dvb h VAL 161 N -0.23 0.92 0.00 2.57 2.07 -0.78 -2.74 116.25 118.07 3dvb h VAL 161 Ca -0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3dvb h VAL 161 Cb 0.79 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3dvb h VAL 161 CO 0.04 0.12 0.00 0.44 0.02 0.00 0.00 177.57 178.19 3dvb h ASP 162 N 0.63 0.00 0.30 0.57 3.32 -1.13 -3.01 116.42 117.10 3dvb h ASP 162 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3dvb h ASP 162 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3dvb h ASP 162 CO -0.21 0.00 -0.63 0.55 -1.72 0.00 0.00 179.24 177.23 3dvb n VAL 163 N -3.07 0.00 0.14 -1.35 3.14 -1.04 -4.34 118.33 111.81 3dvb n VAL 163 Ca 0.00 -0.02 0.14 0.00 -2.96 0.00 0.00 64.34 61.50 3dvb n VAL 163 Cb 0.26 0.54 0.68 0.00 -1.06 0.00 0.00 33.84 34.27 3dvb n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3dvb h LEU 164 N 0.22 0.00 -1.86 6.55 3.38 -1.50 -1.43 115.31 120.66 3dvb h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dvb h LEU 164 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dvb h LEU 164 CO 0.00 0.00 -0.07 0.44 0.09 0.00 0.00 178.44 178.90 3dvb h ASP 165 N 0.00 0.00 1.01 -0.43 3.32 -1.81 -2.10 116.42 116.42 3dvb h ASP 165 Ca 0.12 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3dvb h ASP 165 Cb 0.48 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3dvb h ASP 165 CO -0.00 0.07 -0.04 -1.54 -1.72 0.00 0.00 179.24 176.01 3dvb n SER 166 N -4.46 0.11 -2.46 6.45 3.41 -0.54 -3.72 113.62 112.41 3dvb n SER 166 Ca -0.03 0.46 -0.13 0.00 -0.26 0.00 0.00 58.87 58.91 3dvb n SER 166 Cb 0.15 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 63.66 3dvb n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3dvb n ILE 167 N -1.57 1.85 -0.34 -1.33 -5.35 -0.80 -4.70 119.36 107.12 3dvb n ILE 167 Ca 0.07 -3.63 0.03 0.00 -0.27 0.00 0.00 62.75 58.95 3dvb n ILE 167 Cb 0.35 0.05 0.20 0.00 -1.74 0.00 0.00 39.64 38.50 3dvb n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3dvb h LYS 168 N 2.47 1.09 -6.22 6.28 3.64 -1.60 -3.42 116.57 118.80 3dvb h LYS 168 Ca 0.11 -0.07 -0.55 0.00 -1.27 0.00 0.00 60.65 58.87 3dvb h LYS 168 Cb 1.34 -0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 32.84 3dvb h LYS 168 CO 0.50 0.72 -0.61 0.95 -2.27 0.00 0.00 179.45 178.74 3dvb s THR 169 N -5.98 3.87 0.18 1.00 -4.23 -1.26 -0.62 115.64 108.60 3dvb s THR 169 Ca -0.12 -1.63 -0.33 0.00 -1.18 0.00 0.00 61.69 58.43 3dvb s THR 169 Cb 0.20 -3.05 -0.14 0.00 1.34 0.00 0.00 72.50 70.85 3dvb s THR 169 CO 0.81 -0.31 1.47 1.17 -0.54 0.00 0.00 174.62 177.22 3dvb n LYS 170 N -0.83 1.94 0.00 3.99 4.81 -0.15 -2.23 118.16 125.70 3dvb n LYS 170 Ca -0.08 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 3dvb n LYS 170 Cb 0.58 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.23 3dvb n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dvb n GLY 171 N 2.79 2.45 3.75 3.14 0.00 -0.08 -4.51 105.19 112.73 3dvb n GLY 171 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3dvb n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dvb s LYS 172 N -0.83 4.76 0.10 1.61 -0.14 -0.95 -4.86 119.74 119.44 3dvb s LYS 172 Ca 0.00 1.57 0.02 0.00 -1.36 0.00 0.00 55.97 56.20 3dvb s LYS 172 Cb 0.00 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.83 3dvb s LYS 172 CO 0.00 0.36 -0.07 -1.54 -0.76 0.00 0.00 175.35 173.34 3dvb s SER 173 N -0.80 1.17 -0.05 2.83 1.04 -1.26 -1.38 113.70 115.25 3dvb s SER 173 Ca 0.44 -0.97 -0.10 0.00 0.48 0.00 0.00 55.95 55.80 3dvb s SER 173 Cb -0.27 0.08 0.02 0.00 0.10 0.00 0.00 66.02 65.95 3dvb s SER 173 CO 0.34 -0.43 0.23 0.00 0.98 0.00 0.00 173.24 174.35 3dvb s ALA 174 N -3.40 -0.57 0.32 5.32 0.00 -0.46 -4.93 121.76 118.05 3dvb s ALA 174 Ca 0.10 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.14 3dvb s ALA 174 Cb 0.04 -0.14 -0.11 0.00 0.00 0.00 0.00 23.12 22.90 3dvb s ALA 174 CO -0.04 -0.18 1.49 -0.51 0.00 0.00 0.00 175.76 176.53 3dvb s ASP 175 N -0.64 6.46 -0.44 0.00 1.01 -1.26 -1.47 116.67 120.33 3dvb s ASP 175 Ca -0.07 2.90 0.05 0.00 0.71 0.00 0.00 52.55 56.14 3dvb s ASP 175 Cb -0.04 -2.65 0.19 0.00 1.01 0.00 0.00 42.92 41.43 3dvb s ASP 175 CO 0.02 -0.81 0.47 0.33 0.21 0.00 0.00 175.17 175.38 3dvb n PHE 176 N 1.42 -1.62 -3.82 4.23 7.35 -0.82 -4.77 117.46 119.43 3dvb n PHE 176 Ca 0.04 -2.84 -0.21 0.00 -0.76 0.00 0.00 57.45 53.69 3dvb n PHE 176 Cb 0.39 0.52 -0.02 0.00 0.35 0.00 0.00 39.48 40.73 3dvb n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3dvb s THR 177 N 0.13 4.96 -1.62 -2.13 -4.23 -1.26 -3.07 115.64 108.42 3dvb s THR 177 Ca 0.33 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.83 3dvb s THR 177 Cb 0.05 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.15 3dvb s THR 177 CO -0.16 -0.30 0.44 0.59 -0.54 0.00 0.00 174.62 174.66 3dvb n ASN 178 N -1.48 -6.03 -4.72 3.99 4.13 -1.26 -4.97 115.26 104.91 3dvb n ASN 178 Ca -0.07 -0.21 -0.37 0.00 1.68 0.00 0.00 54.58 55.61 3dvb n ASN 178 Cb 0.57 -4.92 -0.07 0.00 -1.54 0.00 0.00 39.78 33.83 3dvb n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3dvb s PHE 179 N -3.14 3.46 -0.43 3.10 5.36 -1.26 -5.02 117.98 120.05 3dvb s PHE 179 Ca 0.22 0.70 -0.16 0.00 -0.96 0.00 0.00 56.93 56.72 3dvb s PHE 179 Cb -0.10 -2.44 0.03 0.00 -0.34 0.00 0.00 43.02 40.17 3dvb s PHE 179 CO 0.28 0.17 0.40 0.34 -1.46 0.00 0.00 175.22 174.95 3dvb s ASP 180 N 0.62 6.16 0.13 6.13 -1.08 -1.26 -4.47 116.67 122.90 3dvb s ASP 180 Ca 0.20 -0.86 0.16 0.00 -0.52 0.00 0.00 52.55 51.53 3dvb s ASP 180 Cb -0.14 -2.20 0.72 0.00 -1.46 0.00 0.00 42.92 39.84 3dvb s ASP 180 CO 0.07 -0.58 1.51 -0.81 0.52 0.00 0.00 175.17 175.87 3dvb n PRO 181 N 5.45 0.09 0.30 4.34 -0.04 -1.26 -2.61 135.00 141.26 3dvb n PRO 181 Ca -0.09 0.40 0.18 0.00 -0.04 0.00 0.00 63.50 63.95 3dvb n PRO 181 Cb 0.46 -1.69 0.92 0.00 -0.04 0.00 0.00 33.50 33.16 3dvb n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dvb h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.76 114.38 114.31 3dvb h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dvb h ARG 182 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3dvb h ARG 182 CO 0.00 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 3dvb n GLY 183 N -0.74 -0.83 0.51 0.04 0.00 -1.07 -2.82 105.19 100.27 3dvb n GLY 183 Ca -0.02 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.93 3dvb n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dvb n LEU 184 N -0.91 2.04 -4.84 0.99 4.77 -0.66 -4.30 117.00 114.10 3dvb n LEU 184 Ca 0.16 -0.98 -0.36 0.00 -0.03 0.00 0.00 56.01 54.81 3dvb n LEU 184 Cb 0.07 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3dvb n LEU 184 CO 0.12 0.38 0.24 -0.76 -1.33 0.00 0.00 177.39 176.04 3dvb s LEU 185 N -1.18 4.35 0.97 2.23 1.43 -1.13 -4.95 118.68 120.40 3dvb s LEU 185 Ca 0.15 1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 54.20 3dvb s LEU 185 Cb 0.11 -3.25 0.18 0.00 0.03 0.00 0.00 46.19 43.26 3dvb s LEU 185 CO 0.18 0.11 1.21 -2.16 0.23 0.00 0.00 176.35 175.92 3dvb s PRO 186 N -1.90 0.64 0.03 1.29 0.04 -1.26 -4.99 135.00 128.85 3dvb s PRO 186 Ca 0.37 -0.06 -0.24 0.00 0.04 0.00 0.00 61.00 61.12 3dvb s PRO 186 Cb -0.15 -1.81 -0.17 0.00 0.04 0.00 0.00 34.50 32.41 3dvb s PRO 186 CO 0.19 -2.47 1.46 1.49 0.04 0.00 0.00 177.00 177.71 3dvb h GLU 187 N -1.69 0.07 -6.20 4.56 4.81 -1.92 -3.44 114.58 110.77 3dvb h GLU 187 Ca -0.47 -0.02 -0.58 0.00 -0.13 0.00 0.00 59.36 58.17 3dvb h GLU 187 Cb 1.29 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 3dvb h GLU 187 CO 0.49 0.35 -0.23 0.45 -0.73 0.00 0.00 179.01 179.34 3dvb s SER 188 N -5.57 6.62 -0.20 1.04 0.15 -1.26 -5.01 113.70 109.47 3dvb s SER 188 Ca -0.15 0.79 0.16 0.00 0.70 0.00 0.00 55.95 57.45 3dvb s SER 188 Cb 0.04 -2.17 0.56 0.00 -1.71 0.00 0.00 66.02 62.73 3dvb s SER 188 CO 0.68 0.09 1.46 0.18 1.20 0.00 0.00 173.24 176.86 3dvb n LEU 189 N 0.50 4.10 -4.76 3.45 4.77 -1.26 -4.73 117.00 119.08 3dvb n LEU 189 Ca -0.05 -3.07 -0.39 0.00 -0.03 0.00 0.00 56.01 52.47 3dvb n LEU 189 Cb 0.52 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3dvb n LEU 189 CO 0.44 0.71 0.98 -1.81 -1.33 0.00 0.00 177.39 176.38 3dvb s ASP 190 N -1.87 5.76 0.22 -1.43 1.01 -1.26 -4.74 116.67 114.36 3dvb s ASP 190 Ca 0.44 2.71 -0.12 0.00 0.71 0.00 0.00 52.55 56.28 3dvb s ASP 190 Cb 0.36 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.65 3dvb s ASP 190 CO 0.09 -1.24 0.44 -0.72 0.21 0.00 0.00 175.17 173.95 3dvb s TYR 191 N -1.31 0.34 0.12 4.23 -0.85 -1.26 -1.78 117.35 116.83 3dvb s TYR 191 Ca 0.65 -0.69 0.08 0.00 -0.52 0.00 0.00 57.07 56.59 3dvb s TYR 191 Cb -0.39 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.05 3dvb s TYR 191 CO 0.48 -0.92 -0.15 -1.58 -1.52 0.00 0.00 175.55 171.86 3dvb s TRP 192 N -4.00 2.61 -0.02 -3.49 0.51 -0.26 -0.92 118.94 113.37 3dvb s TRP 192 Ca 0.20 -0.22 -0.06 0.00 -2.12 0.00 0.00 56.10 53.90 3dvb s TRP 192 Cb 0.00 -1.37 0.00 0.00 -0.81 0.00 0.00 33.47 31.30 3dvb s TRP 192 CO 0.06 0.41 0.13 -0.08 -0.51 0.00 0.00 176.95 176.95 3dvb s THR 193 N -1.19 0.05 0.06 2.01 -1.32 0.18 -1.01 115.64 114.42 3dvb s THR 193 Ca 0.19 -0.43 -0.26 0.00 -1.21 0.00 0.00 61.69 59.98 3dvb s THR 193 Cb -0.11 -0.33 0.08 0.00 -1.51 0.00 0.00 72.50 70.64 3dvb s THR 193 CO 0.12 -0.23 0.70 -0.72 -2.21 0.00 0.00 174.62 172.27 3dvb s TYR 194 N -0.80 -0.52 -0.03 9.09 1.13 -1.03 -1.64 117.35 123.55 3dvb s TYR 194 Ca -0.09 0.52 -0.29 0.00 -1.41 0.00 0.00 57.07 55.80 3dvb s TYR 194 Cb -0.05 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.29 3dvb s TYR 194 CO 0.01 -0.70 0.96 -1.25 -2.51 0.00 0.00 175.55 172.05 3dvb s PRO 195 N -2.83 4.51 0.00 -3.49 0.04 -1.26 -1.13 135.00 130.84 3dvb s PRO 195 Ca -0.01 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3dvb s PRO 195 Cb -0.01 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3dvb s PRO 195 CO -0.06 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.29 3dvb n GLY 196 N 2.97 4.89 3.27 0.56 0.00 0.12 -4.84 105.19 112.16 3dvb n GLY 196 Ca 0.06 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 3dvb n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dvb s SER 197 N 1.29 1.25 0.52 1.61 1.04 -1.09 -2.55 113.70 115.78 3dvb s SER 197 Ca 0.00 -1.64 -0.20 0.00 0.48 0.00 0.00 55.95 54.59 3dvb s SER 197 Cb 0.00 0.50 -0.07 0.00 0.10 0.00 0.00 66.02 66.55 3dvb s SER 197 CO 0.00 -0.99 1.10 -0.76 0.98 0.00 0.00 173.24 173.57 3dvb s LEU 198 N -3.32 3.79 0.00 2.42 1.43 -0.60 -4.51 118.68 117.89 3dvb s LEU 198 Ca 0.40 2.10 0.23 0.00 -1.03 0.00 0.00 54.13 55.83 3dvb s LEU 198 Cb 0.04 -4.57 0.46 0.00 0.03 0.00 0.00 46.19 42.16 3dvb s LEU 198 CO 0.23 -1.06 1.42 0.35 0.23 0.00 0.00 176.35 177.51 3dvb n THR 199 N -1.17 0.28 -4.26 5.49 -2.24 -1.26 -4.46 114.28 106.66 3dvb n THR 199 Ca 0.11 -0.57 -0.19 0.00 -2.27 0.00 0.00 64.05 61.12 3dvb n THR 199 Cb 0.51 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.62 3dvb n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dvb s THR 200 N -1.72 1.46 0.50 4.28 -4.23 -1.26 -4.76 115.64 109.91 3dvb s THR 200 Ca 0.35 -1.73 -0.22 0.00 -1.18 0.00 0.00 61.69 58.91 3dvb s THR 200 Cb 0.21 -1.58 -0.08 0.00 1.34 0.00 0.00 72.50 72.39 3dvb s THR 200 CO 0.30 -0.36 0.96 -2.65 -0.54 0.00 0.00 174.62 172.34 3dvb n PRO 201 N 0.55 1.14 0.00 3.99 -0.02 -1.26 -0.75 135.00 138.66 3dvb n PRO 201 Ca -0.15 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 61.79 3dvb n PRO 201 Cb 0.57 -2.08 0.26 0.00 -0.02 0.00 0.00 33.50 32.23 3dvb n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dvb n PRO 202 N -0.30 0.49 -2.34 0.52 -0.04 -1.26 -4.99 135.00 127.08 3dvb n PRO 202 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 3dvb n PRO 202 Cb 0.43 -1.28 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 3dvb n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dvb n LEU 203 N -0.78 -1.49 -4.78 1.53 4.77 0.08 -4.91 117.00 111.42 3dvb n LEU 203 Ca 0.07 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.76 3dvb n LEU 203 Cb 0.03 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 38.62 3dvb n LEU 203 CO 0.05 -0.23 1.14 -0.76 -1.33 0.00 0.00 177.39 176.25 3dvb s LEU 204 N -5.66 4.29 -1.23 2.23 1.43 -1.26 -4.40 118.68 114.08 3dvb s LEU 204 Ca 0.00 3.05 -0.09 0.00 -1.03 0.00 0.00 54.13 56.06 3dvb s LEU 204 Cb 0.00 -3.70 0.20 0.00 0.03 0.00 0.00 46.19 42.72 3dvb s LEU 204 CO 0.00 -0.92 1.70 -0.62 0.23 0.00 0.00 176.35 176.74 3dvb n GLU 205 N 0.37 3.73 -0.12 1.70 1.02 -1.26 -1.55 120.64 124.52 3dvb n GLU 205 Ca 0.01 -3.80 0.03 0.00 -0.02 0.00 0.00 57.16 53.38 3dvb n GLU 205 Cb 0.39 -2.85 0.04 0.00 -0.02 0.00 0.00 31.44 29.00 3dvb n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dvb s VAL 207 N -1.11 3.49 -0.36 0.00 1.01 -1.06 -0.84 120.40 121.53 3dvb s VAL 207 Ca 0.09 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 3dvb s VAL 207 Cb 0.08 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3dvb s VAL 207 CO 0.01 0.55 0.24 -0.89 0.00 0.00 0.00 175.10 175.00 3dvb s THR 208 N -0.15 5.03 0.07 3.92 2.01 -0.32 0.16 115.64 126.36 3dvb s THR 208 Ca 0.01 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 61.28 3dvb s THR 208 Cb -0.13 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 3dvb s THR 208 CO 0.03 -0.13 0.70 0.26 -0.69 0.00 0.00 174.62 174.79 3dvb s TRP 209 N 1.66 3.78 -0.27 4.92 0.52 -0.29 -2.23 118.94 127.03 3dvb s TRP 209 Ca 0.05 1.43 -0.00 0.00 0.02 0.00 0.00 56.10 57.59 3dvb s TRP 209 Cb -0.18 -2.71 0.08 0.00 -1.15 0.00 0.00 33.47 29.51 3dvb s TRP 209 CO 0.09 0.40 0.04 0.42 0.02 0.00 0.00 176.95 177.92 3dvb s ILE 210 N -0.52 1.12 -0.26 2.03 1.01 -0.59 -2.46 121.20 121.53 3dvb s ILE 210 Ca 0.35 -1.27 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 3dvb s ILE 210 Cb -0.21 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 3dvb s ILE 210 CO 0.22 -0.41 0.08 -0.69 0.00 0.00 0.00 174.94 174.14 3dvb s VAL 211 N 1.54 4.32 0.30 2.92 1.01 -0.18 -0.36 120.40 129.94 3dvb s VAL 211 Ca 0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 3dvb s VAL 211 Cb -0.18 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 3dvb s VAL 211 CO -0.15 0.30 1.13 -0.76 0.00 0.00 0.00 175.10 175.63 3dvb s LEU 212 N 1.61 4.50 0.14 3.92 1.43 -0.30 -1.10 118.68 128.87 3dvb s LEU 212 Ca 0.06 2.33 -0.10 0.00 -1.03 0.00 0.00 54.13 55.39 3dvb s LEU 212 Cb -0.15 -3.68 -0.06 0.00 0.03 0.00 0.00 46.19 42.33 3dvb s LEU 212 CO 0.04 -0.25 1.41 0.50 0.23 0.00 0.00 176.35 178.28 3dvb h LYS 213 N 3.63 0.80 -5.76 1.70 3.64 -1.69 -3.43 116.57 115.45 3dvb h LYS 213 Ca -0.47 -0.53 -0.60 0.00 -1.27 0.00 0.00 60.65 57.78 3dvb h LYS 213 Cb 1.22 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 33.02 3dvb h LYS 213 CO 0.66 1.16 0.43 -2.00 -2.27 0.00 0.00 179.45 177.43 3dvb s GLU 214 N -4.04 4.14 0.64 1.90 2.12 -1.26 -5.02 118.70 117.19 3dvb s GLU 214 Ca -0.10 0.85 -0.11 0.00 0.36 0.00 0.00 54.97 55.97 3dvb s GLU 214 Cb 0.10 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 3dvb s GLU 214 CO 0.88 -0.53 1.05 -2.14 -0.54 0.00 0.00 175.26 173.98 3dvb s PRO 215 N 2.83 3.42 0.14 4.30 0.02 -1.26 -4.67 135.00 139.79 3dvb s PRO 215 Ca 0.34 0.68 0.05 0.00 0.02 0.00 0.00 61.00 62.09 3dvb s PRO 215 Cb -0.15 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 3dvb s PRO 215 CO 0.08 -0.68 0.12 0.96 -0.33 0.00 0.00 177.00 177.15 3dvb s ILE 216 N -3.22 4.47 -0.08 2.83 -4.36 0.01 -4.92 121.20 115.94 3dvb s ILE 216 Ca 0.56 -1.02 -0.03 0.00 -0.26 0.00 0.00 60.65 59.90 3dvb s ILE 216 Cb -0.11 -3.25 -0.04 0.00 1.25 0.00 0.00 42.46 40.31 3dvb s ILE 216 CO 0.53 -0.05 0.06 -0.94 0.24 0.00 0.00 174.94 174.79 3dvb s SER 217 N -2.93 5.71 0.12 4.36 1.04 -1.26 -1.14 113.70 119.59 3dvb s SER 217 Ca 0.30 0.25 0.04 0.00 0.48 0.00 0.00 55.95 57.02 3dvb s SER 217 Cb -0.11 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 3dvb s SER 217 CO 0.23 0.37 -0.10 0.68 0.98 0.00 0.00 173.24 175.39 3dvb s VAL 218 N -1.00 1.04 0.58 5.02 -7.23 -0.25 -3.51 120.40 115.04 3dvb s VAL 218 Ca 0.16 -1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 3dvb s VAL 218 Cb -0.12 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 3dvb s VAL 218 CO 0.05 -0.67 0.93 -0.94 -0.31 0.00 0.00 175.10 174.17 3dvb s SER 219 N -2.83 6.04 0.28 4.85 1.04 -1.17 -0.16 113.70 121.76 3dvb s SER 219 Ca 0.11 1.10 -0.03 0.00 0.48 0.00 0.00 55.95 57.61 3dvb s SER 219 Cb 0.00 -2.20 0.37 0.00 0.10 0.00 0.00 66.02 64.30 3dvb s SER 219 CO -0.00 -0.86 1.95 -1.28 0.98 0.00 0.00 173.24 174.03 3dvb h SER 220 N -0.15 1.03 -0.61 7.02 0.87 -1.93 -2.06 113.55 117.72 3dvb h SER 220 Ca -0.45 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.03 3dvb h SER 220 Cb 1.21 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 3dvb h SER 220 CO 0.62 0.74 0.21 -0.33 -0.53 0.00 0.00 176.83 177.54 3dvb h GLU 221 N 1.22 0.97 -0.17 2.24 3.07 -1.96 -1.25 114.58 118.71 3dvb h GLU 221 Ca 0.33 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 3dvb h GLU 221 Cb -0.13 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.62 3dvb h GLU 221 CO -0.07 0.83 0.01 1.96 -1.40 0.00 0.00 179.01 180.34 3dvb h GLN 222 N 0.94 0.29 -0.04 2.33 4.20 -1.76 -2.92 115.11 118.14 3dvb h GLN 222 Ca 0.21 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 3dvb h GLN 222 Cb 0.26 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3dvb h GLN 222 CO -0.01 0.48 -0.47 0.28 -0.67 0.00 0.00 178.83 178.44 3dvb h VAL 223 N 0.05 1.34 -0.80 -0.54 2.07 -1.39 -2.87 116.25 114.12 3dvb h VAL 223 Ca 0.05 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 65.97 3dvb h VAL 223 Cb 0.34 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 3dvb h VAL 223 CO 0.01 0.48 0.52 0.25 0.02 0.00 0.00 177.57 178.84 3dvb h LEU 224 N 0.08 0.82 -1.28 2.57 7.12 -1.12 -0.90 115.31 122.60 3dvb h LEU 224 Ca 0.00 -0.01 -0.06 0.00 0.13 0.00 0.00 57.88 57.95 3dvb h LEU 224 Cb 0.86 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.80 3dvb h LEU 224 CO 0.07 0.55 -0.29 0.11 -0.13 0.00 0.00 178.44 178.76 3dvb h LYS 225 N 0.95 0.00 -0.57 1.25 1.57 -1.32 -2.29 116.57 116.15 3dvb h LYS 225 Ca 0.32 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.02 3dvb h LYS 225 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3dvb h LYS 225 CO -0.10 0.29 0.04 0.74 -0.57 0.00 0.00 179.45 179.85 3dvb h PHE 226 N 0.00 1.02 0.00 -1.35 -1.00 -1.20 -2.63 116.94 111.78 3dvb h PHE 226 Ca -0.00 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.63 3dvb h PHE 226 Cb 0.68 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.97 3dvb h PHE 226 CO 0.00 0.90 0.00 0.54 -1.61 0.00 0.00 178.31 178.14 3dvb n ARG 227 N -4.21 0.61 0.00 1.51 1.74 -0.86 -2.76 116.66 112.69 3dvb n ARG 227 Ca 0.03 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 3dvb n ARG 227 Cb 0.30 -1.49 0.13 0.00 -1.02 0.00 0.00 32.46 30.39 3dvb n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dvb n LYS 228 N -0.99 1.53 -1.53 5.56 5.02 -0.99 -4.54 118.16 122.23 3dvb n LYS 228 Ca 0.14 -1.20 -0.30 0.00 -2.02 0.00 0.00 58.31 54.93 3dvb n LYS 228 Cb 0.07 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 33.70 3dvb n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dvb s LEU 229 N -2.29 2.45 -0.01 -0.35 1.43 -1.11 -4.88 118.68 113.91 3dvb s LEU 229 Ca 0.24 1.24 0.08 0.00 -1.03 0.00 0.00 54.13 54.66 3dvb s LEU 229 Cb 0.19 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 3dvb s LEU 229 CO 0.46 -2.14 -0.25 0.20 0.23 0.00 0.00 176.35 174.85 3dvb s ASN 230 N -3.90 2.94 0.18 2.29 0.02 0.21 -0.17 114.94 116.52 3dvb s ASN 230 Ca 0.62 -0.46 0.01 0.00 -1.02 0.00 0.00 52.86 52.01 3dvb s ASN 230 Cb -0.15 -0.32 0.07 0.00 0.02 0.00 0.00 41.25 40.87 3dvb s ASN 230 CO 0.54 0.30 1.43 -0.26 0.02 0.00 0.00 177.10 179.14 3dvb h PHE 231 N 5.46 0.40 -4.42 2.20 0.04 -1.14 -3.35 116.94 116.12 3dvb h PHE 231 Ca -0.43 -0.19 -0.49 0.00 2.80 0.00 0.00 57.97 59.67 3dvb h PHE 231 Cb 1.13 -0.06 0.09 0.00 2.20 0.00 0.00 35.95 39.31 3dvb h PHE 231 CO 0.40 0.95 0.39 0.54 -0.60 0.00 0.00 178.31 179.99 3dvb s ASN 232 N -6.95 5.14 0.49 2.17 4.22 -1.26 -4.46 114.94 114.30 3dvb s ASN 232 Ca -0.04 1.18 -0.02 0.00 -2.14 0.00 0.00 52.86 51.84 3dvb s ASN 232 Cb 0.11 -1.96 -0.00 0.00 1.28 0.00 0.00 41.25 40.67 3dvb s ASN 232 CO 0.83 -1.54 0.74 -0.83 -2.04 0.00 0.00 177.10 174.26 3dvb s GLY 233 N -4.22 1.57 0.38 0.45 0.00 -1.26 -0.98 107.32 103.27 3dvb s GLY 233 Ca 0.59 -0.92 -0.27 0.00 0.00 0.00 0.00 44.72 44.12 3dvb s GLY 233 CO 0.52 -0.72 1.40 -2.21 0.00 0.00 0.00 173.10 172.09 3dvb n GLU 234 N -2.23 2.37 0.00 2.90 2.13 -1.26 -2.20 120.64 122.35 3dvb n GLU 234 Ca 0.02 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.67 3dvb n GLU 234 Cb 0.57 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.75 3dvb n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dvb n GLY 235 N 0.60 3.10 3.93 8.31 0.00 -1.26 -5.03 105.19 114.84 3dvb n GLY 235 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3dvb n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dvb s GLU 236 N -0.36 2.98 0.18 1.61 2.02 -0.93 -5.01 118.70 119.20 3dvb s GLU 236 Ca 0.00 -0.19 -0.33 0.00 0.02 0.00 0.00 54.97 54.47 3dvb s GLU 236 Cb 0.00 -2.38 -0.14 0.00 0.10 0.00 0.00 34.13 31.71 3dvb s GLU 236 CO 0.00 -0.53 1.57 -2.30 0.02 0.00 0.00 175.26 174.03 3dvb n PRO 237 N -2.38 2.23 -2.09 0.39 -0.02 -1.26 -4.87 135.00 127.00 3dvb n PRO 237 Ca 0.03 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 3dvb n PRO 237 Cb 0.58 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 3dvb n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3dvb s GLU 238 N 0.72 4.29 -0.18 -0.52 2.12 -1.26 -4.75 118.70 119.12 3dvb s GLU 238 Ca 0.76 2.17 -0.02 0.00 0.36 0.00 0.00 54.97 58.24 3dvb s GLU 238 Cb -0.65 -3.21 0.06 0.00 0.26 0.00 0.00 34.13 30.58 3dvb s GLU 238 CO 0.39 -0.49 0.03 -1.21 -0.54 0.00 0.00 175.26 173.44 3dvb s GLU 239 N 1.06 0.70 0.31 4.30 2.02 -1.26 -5.05 118.70 120.78 3dvb s GLU 239 Ca 0.66 -0.38 -0.29 0.00 0.02 0.00 0.00 54.97 54.98 3dvb s GLU 239 Cb -0.39 -1.99 -0.11 0.00 0.10 0.00 0.00 34.13 31.74 3dvb s GLU 239 CO 0.31 -0.59 1.47 -0.51 0.02 0.00 0.00 175.26 175.96 3dvb s LEU 240 N 1.85 4.36 -0.91 1.80 1.43 -1.26 -0.73 118.68 125.23 3dvb s LEU 240 Ca -0.00 2.85 -0.23 0.00 -1.03 0.00 0.00 54.13 55.72 3dvb s LEU 240 Cb -0.16 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.48 3dvb s LEU 240 CO -0.08 -0.77 1.30 -0.32 0.23 0.00 0.00 176.35 176.71 3dvb s MET 241 N -1.13 3.47 0.05 1.70 -2.45 0.76 -4.63 119.30 117.06 3dvb s MET 241 Ca 0.57 -1.06 -0.05 0.00 -1.25 0.00 0.00 55.69 53.90 3dvb s MET 241 Cb -0.44 -4.92 -0.02 0.00 1.25 0.00 0.00 34.83 30.70 3dvb s MET 241 CO 0.52 -2.07 0.08 0.14 1.05 0.00 0.00 175.02 174.74 3dvb s VAL 242 N 4.55 0.15 -1.32 10.11 -7.23 -1.26 -4.51 120.40 120.89 3dvb s VAL 242 Ca 0.39 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.29 3dvb s VAL 242 Cb -0.04 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 35.85 3dvb s VAL 242 CO -0.03 -0.68 0.86 0.47 -0.31 0.00 0.00 175.10 175.40 3dvb n ASP 243 N 0.54 -2.37 -2.72 4.85 8.00 -0.26 -4.87 116.55 119.71 3dvb n ASP 243 Ca -0.18 -0.74 -0.33 0.00 0.71 0.00 0.00 54.79 54.25 3dvb n ASP 243 Cb 0.59 -4.38 -0.01 0.00 -0.02 0.00 0.00 41.12 37.30 3dvb n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3dvb n ASN 244 N -3.04 6.97 -4.29 -2.24 6.94 -1.10 -4.91 115.26 113.59 3dvb n ASN 244 Ca -0.22 -3.47 -0.26 0.00 -0.02 0.00 0.00 54.58 50.60 3dvb n ASN 244 Cb 0.64 -1.17 -0.14 0.00 -2.36 0.00 0.00 39.78 36.76 3dvb n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3dvb s TRP 245 N -2.72 1.96 -0.07 -2.53 1.48 -1.26 -4.60 118.94 111.21 3dvb s TRP 245 Ca 0.56 -0.39 -0.12 0.00 -1.06 0.00 0.00 56.10 55.08 3dvb s TRP 245 Cb 0.40 -1.14 -0.05 0.00 -1.16 0.00 0.00 33.47 31.52 3dvb s TRP 245 CO -0.30 0.15 0.31 0.50 -4.06 0.00 0.00 176.95 173.55 3dvb s ARG 246 N -1.44 3.85 0.83 3.25 3.52 -1.26 -4.98 118.95 122.71 3dvb s ARG 246 Ca 0.09 0.19 -0.11 0.00 -0.13 0.00 0.00 55.73 55.77 3dvb s ARG 246 Cb -0.09 -3.26 0.09 0.00 -1.56 0.00 0.00 34.95 30.13 3dvb s ARG 246 CO 0.03 0.62 1.09 -1.25 -0.81 0.00 0.00 175.30 174.98 3dvb s PRO 247 N -0.73 1.83 0.36 5.12 0.04 -1.26 -4.67 135.00 135.69 3dvb s PRO 247 Ca 0.20 0.89 -0.28 0.00 0.04 0.00 0.00 61.00 61.85 3dvb s PRO 247 Cb -0.15 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 3dvb s PRO 247 CO 0.09 -1.86 1.40 0.00 0.04 0.00 0.00 177.00 176.67 3dvb n ALA 248 N -3.64 1.89 -2.70 8.56 0.00 -1.26 -4.40 120.51 118.96 3dvb n ALA 248 Ca 0.08 0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 3dvb n ALA 248 Cb 0.55 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 3dvb n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dvb s GLN 249 N -1.91 2.72 0.31 0.00 -1.52 0.83 -4.95 119.66 115.14 3dvb s GLN 249 Ca 0.55 -1.21 -0.30 0.00 -1.95 0.00 0.00 55.36 52.45 3dvb s GLN 249 Cb -0.52 -2.44 -0.11 0.00 -0.22 0.00 0.00 33.01 29.72 3dvb s GLN 249 CO 0.62 0.31 1.59 -2.14 -0.25 0.00 0.00 175.29 175.42 3dvb s PRO 250 N -3.84 4.11 0.25 2.91 0.02 -1.26 -4.59 135.00 132.59 3dvb s PRO 250 Ca 0.35 2.60 0.07 0.00 0.02 0.00 0.00 61.00 64.03 3dvb s PRO 250 Cb -0.07 -3.01 0.29 0.00 0.02 0.00 0.00 34.50 31.73 3dvb s PRO 250 CO 0.24 -0.64 1.58 1.25 -0.33 0.00 0.00 177.00 179.10 3dvb h LEU 251 N 4.60 0.16 0.00 -5.54 5.85 -1.94 -3.44 115.31 115.00 3dvb h LEU 251 Ca -0.48 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3dvb h LEU 251 Cb 1.22 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3dvb h LEU 251 CO 0.78 0.74 0.00 0.29 -0.34 0.00 0.00 178.44 179.90 3dvb n LYS 252 N -3.84 0.00 -1.51 1.25 5.02 -1.26 -2.97 118.16 114.85 3dvb n LYS 252 Ca -0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 3dvb n LYS 252 Cb 0.62 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.57 3dvb n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dvb n ASN 253 N 2.10 7.05 -4.19 4.39 2.85 -1.26 -4.90 115.26 121.30 3dvb n ASN 253 Ca 0.00 -2.94 -0.18 0.00 -0.11 0.00 0.00 54.58 51.35 3dvb n ASN 253 Cb 0.00 -1.36 -0.12 0.00 1.24 0.00 0.00 39.78 39.55 3dvb n ASN 253 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3dvb s ARG 254 N -0.40 0.89 -0.08 1.20 0.52 -1.16 -5.13 118.95 114.79 3dvb s ARG 254 Ca 0.61 -1.07 0.05 0.00 -0.52 0.00 0.00 55.73 54.80 3dvb s ARG 254 Cb 0.28 -0.82 -0.00 0.00 0.52 0.00 0.00 34.95 34.93 3dvb s ARG 254 CO -0.12 0.17 -0.24 -1.14 0.02 0.00 0.00 175.30 173.99 3dvb s GLN 255 N -2.16 2.86 -0.15 3.54 2.00 -1.26 -5.03 119.66 119.47 3dvb s GLN 255 Ca 0.02 -0.89 -0.16 0.00 -2.00 0.00 0.00 55.36 52.34 3dvb s GLN 255 Cb -0.08 -2.25 -0.04 0.00 0.80 0.00 0.00 33.01 31.44 3dvb s GLN 255 CO 0.02 0.26 0.37 0.42 -0.50 0.00 0.00 175.29 175.86 3dvb s ILE 256 N 0.14 5.25 0.05 -2.34 1.01 -1.26 -4.72 121.20 119.34 3dvb s ILE 256 Ca -0.13 0.70 0.04 0.00 0.00 0.00 0.00 60.65 61.26 3dvb s ILE 256 Cb -0.16 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3dvb s ILE 256 CO 0.07 0.35 -0.00 -0.54 0.00 0.00 0.00 174.94 174.82 3dvb s LYS 257 N 0.65 2.64 0.03 2.79 1.02 -0.65 -1.19 119.74 125.03 3dvb s LYS 257 Ca 0.20 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.50 3dvb s LYS 257 Cb -0.14 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 3dvb s LYS 257 CO 0.06 0.57 -0.17 0.00 -0.92 0.00 0.00 175.35 174.90 3dvb s ALA 258 N -1.22 2.62 -2.19 5.17 0.00 0.43 -0.64 121.76 125.92 3dvb s ALA 258 Ca 0.23 -1.16 0.27 0.00 0.00 0.00 0.00 51.96 51.30 3dvb s ALA 258 Cb -0.12 -0.78 0.87 0.00 0.00 0.00 0.00 23.12 23.09 3dvb s ALA 258 CO 0.15 0.57 1.64 -1.13 0.00 0.00 0.00 175.76 176.99 3dvb n SER 259 N 1.63 1.37 -4.21 0.00 3.41 -0.10 -1.48 113.62 114.23 3dvb n SER 259 Ca -0.16 -1.26 -0.12 0.00 -0.26 0.00 0.00 58.87 57.07 3dvb n SER 259 Cb 0.52 0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 3dvb n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3dvb s PHE 260 N -2.22 1.08 0.00 7.33 -0.71 -1.26 -4.90 117.98 117.30 3dvb s PHE 260 Ca 0.31 -0.84 0.00 0.00 -1.04 0.00 0.00 56.93 55.36 3dvb s PHE 260 Cb 0.20 -0.58 0.00 0.00 -1.21 0.00 0.00 43.02 41.43 3dvb s PHE 260 CO 0.42 -0.04 0.31 0.36 -1.34 0.00 0.00 175.22 174.93