#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bgr s GLU 6 N 0.00 4.04 -0.10 9.51 -6.30 -1.26 -4.90 118.70 119.69 3bgr s GLU 6 Ca 0.00 0.65 -0.01 0.00 -2.50 0.00 0.00 54.97 53.11 3bgr s GLU 6 Cb 0.00 -2.65 -0.03 0.00 0.00 0.00 0.00 34.13 31.45 3bgr s GLU 6 CO 0.00 0.29 -0.06 0.95 0.02 0.00 0.00 175.26 176.46 3bgr s THR 7 N -1.77 3.76 -0.24 -1.70 -4.23 -1.26 -4.81 115.64 105.39 3bgr s THR 7 Ca 0.48 -0.44 -0.24 0.00 -1.18 0.00 0.00 61.69 60.31 3bgr s THR 7 Cb -0.13 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 3bgr s THR 7 CO 0.19 0.56 0.80 0.54 -0.54 0.00 0.00 174.62 176.17 3bgr s VAL 8 N -0.36 4.86 0.33 2.29 0.11 -1.26 -4.94 120.40 121.43 3bgr s VAL 8 Ca 0.05 1.50 -0.28 0.00 -2.93 0.00 0.00 61.98 60.32 3bgr s VAL 8 Cb -0.12 -4.09 -0.13 0.00 -1.53 0.00 0.00 36.38 30.51 3bgr s VAL 8 CO 0.02 -0.06 1.28 -0.81 -3.33 0.00 0.00 175.10 172.20 3bgr n PRO 9 N 5.96 2.06 -4.07 1.54 -0.04 -1.26 -4.50 135.00 134.68 3bgr n PRO 9 Ca 0.05 0.72 -0.13 0.00 -0.04 0.00 0.00 63.50 64.10 3bgr n PRO 9 Cb 0.48 -2.29 -0.11 0.00 -0.04 0.00 0.00 33.50 31.53 3bgr n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bgr s VAL 10 N -1.01 0.55 0.14 0.52 1.01 -1.26 -5.07 120.40 115.27 3bgr s VAL 10 Ca 0.57 -1.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 3bgr s VAL 10 Cb -0.59 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3bgr s VAL 10 CO 0.61 -0.44 0.36 -0.75 0.00 0.00 0.00 175.10 174.88 3bgr s LYS 11 N -1.84 1.10 0.65 2.72 2.20 -1.26 -4.66 119.74 118.64 3bgr s LYS 11 Ca -0.08 -0.89 -0.11 0.00 -0.36 0.00 0.00 55.97 54.54 3bgr s LYS 11 Cb -0.08 0.43 0.15 0.00 -1.51 0.00 0.00 37.83 36.82 3bgr s LYS 11 CO -0.00 -0.42 0.87 1.28 -0.36 0.00 0.00 175.35 176.71 3bgr n LEU 12 N -0.21 0.00 -4.73 5.43 4.77 -1.26 -2.74 117.00 118.25 3bgr n LEU 12 Ca -0.13 -0.95 -0.41 0.00 -0.03 0.00 0.00 56.01 54.49 3bgr n LEU 12 Cb 0.63 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 3bgr n LEU 12 CO 0.20 -1.15 0.69 -0.54 -1.33 0.00 0.00 177.39 175.26 3bgr s LYS 13 N -4.90 4.69 -0.41 3.23 1.02 -0.61 -4.34 119.74 118.42 3bgr s LYS 13 Ca 0.49 1.51 -0.42 0.00 0.02 0.00 0.00 55.97 57.57 3bgr s LYS 13 Cb -0.01 -3.35 -0.17 0.00 -0.52 0.00 0.00 37.83 33.78 3bgr s LYS 13 CO 0.35 0.22 1.90 -0.35 -0.92 0.00 0.00 175.35 176.54 3bgr n PRO 14 N 2.58 0.54 -0.05 -1.68 -0.04 -1.26 -1.16 135.00 133.92 3bgr n PRO 14 Ca 0.02 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3bgr n PRO 14 Cb 0.48 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3bgr n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bgr n GLY 15 N 5.48 0.64 3.41 0.55 0.00 -1.26 -5.08 105.19 108.92 3bgr n GLY 15 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 3bgr n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bgr s MET 16 N -0.95 2.13 0.54 1.61 -1.94 -0.31 -5.14 119.30 115.25 3bgr s MET 16 Ca 0.00 -0.93 0.06 0.00 -1.71 0.00 0.00 55.69 53.11 3bgr s MET 16 Cb 0.00 -2.16 0.06 0.00 2.01 0.00 0.00 34.83 34.74 3bgr s MET 16 CO 0.00 0.56 0.75 0.34 -0.01 0.00 0.00 175.02 176.66 3bgr s ASP 17 N -1.05 5.19 0.97 3.03 2.15 -1.26 -4.67 116.67 121.03 3bgr s ASP 17 Ca 0.12 -0.50 -0.12 0.00 0.43 0.00 0.00 52.55 52.49 3bgr s ASP 17 Cb -0.10 -0.25 0.17 0.00 -0.30 0.00 0.00 42.92 42.44 3bgr s ASP 17 CO 0.02 -1.21 1.09 -0.83 -0.17 0.00 0.00 175.17 174.07 3bgr s GLY 18 N -4.54 1.59 0.54 2.66 0.00 -1.26 -4.98 107.32 101.33 3bgr s GLY 18 Ca 0.60 -0.21 -0.20 0.00 0.00 0.00 0.00 44.72 44.91 3bgr s GLY 18 CO 0.38 0.36 1.15 2.56 0.00 0.00 0.00 173.10 177.55 3bgr s PRO 19 N -4.91 3.34 -0.40 2.90 0.04 -1.26 -4.93 135.00 129.77 3bgr s PRO 19 Ca 0.65 1.69 0.08 0.00 0.04 0.00 0.00 61.00 63.46 3bgr s PRO 19 Cb -0.19 -2.06 0.25 0.00 0.04 0.00 0.00 34.50 32.55 3bgr s PRO 19 CO 0.58 -0.88 0.53 1.63 0.04 0.00 0.00 177.00 178.90 3bgr n LYS 20 N -1.23 0.80 -4.14 4.56 5.02 -1.22 -0.70 118.16 121.25 3bgr n LYS 20 Ca 0.11 -3.29 -0.35 0.00 -2.02 0.00 0.00 58.31 52.76 3bgr n LYS 20 Cb 0.50 -1.26 -0.09 0.00 -0.02 0.00 0.00 35.03 34.16 3bgr n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bgr s VAL 21 N -1.24 4.67 0.37 -0.18 1.01 -0.01 -4.88 120.40 120.14 3bgr s VAL 21 Ca 0.35 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 3bgr s VAL 21 Cb 0.17 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 3bgr s VAL 21 CO -0.11 0.53 1.35 -0.75 0.00 0.00 0.00 175.10 176.13 3bgr s LYS 22 N -0.24 4.17 0.09 2.72 2.20 -1.26 -4.15 119.74 123.26 3bgr s LYS 22 Ca 0.07 2.28 -0.30 0.00 -0.36 0.00 0.00 55.97 57.66 3bgr s LYS 22 Cb -0.12 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.20 3bgr s LYS 22 CO 0.02 -0.37 0.96 -1.14 -0.36 0.00 0.00 175.35 174.46 3bgr s GLN 23 N -2.01 4.67 0.37 4.03 2.00 -1.26 -4.55 119.66 122.91 3bgr s GLN 23 Ca 0.52 1.44 -0.01 0.00 -2.00 0.00 0.00 55.36 55.32 3bgr s GLN 23 Cb -0.41 -3.39 -0.03 0.00 0.80 0.00 0.00 33.01 29.98 3bgr s GLN 23 CO 0.54 0.17 0.59 1.67 -0.50 0.00 0.00 175.29 177.76 3bgr s TRP 24 N 0.18 3.51 0.23 1.67 -2.14 -1.26 -5.02 118.94 116.11 3bgr s TRP 24 Ca 0.48 0.43 -0.31 0.00 2.66 0.00 0.00 56.10 59.36 3bgr s TRP 24 Cb -0.23 -1.97 -0.14 0.00 -3.10 0.00 0.00 33.47 28.03 3bgr s TRP 24 CO 0.29 0.05 1.33 -2.30 -2.66 0.00 0.00 176.95 173.66 3bgr n PRO 25 N -1.88 1.82 -4.61 3.25 -0.02 -1.26 -5.00 135.00 127.31 3bgr n PRO 25 Ca -0.04 0.65 -0.28 0.00 -2.02 0.00 0.00 63.50 61.81 3bgr n PRO 25 Cb 0.56 -2.25 -0.14 0.00 -0.02 0.00 0.00 33.50 31.65 3bgr n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3bgr s LEU 26 N 0.17 2.23 0.76 2.45 1.43 -1.26 -5.13 118.68 119.34 3bgr s LEU 26 Ca 0.68 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 3bgr s LEU 26 Cb -0.69 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 44.45 3bgr s LEU 26 CO 0.51 0.18 1.08 0.42 0.23 0.00 0.00 176.35 178.78 3bgr s THR 27 N -0.93 3.46 0.33 5.49 -4.23 -1.26 -4.83 115.64 113.67 3bgr s THR 27 Ca 0.11 0.47 0.03 0.00 -1.18 0.00 0.00 61.69 61.12 3bgr s THR 27 Cb -0.10 -3.13 0.28 0.00 1.34 0.00 0.00 72.50 70.90 3bgr s THR 27 CO 0.03 -0.62 1.94 -0.08 -0.54 0.00 0.00 174.62 175.35 3bgr h GLU 28 N -1.01 0.88 -0.34 3.99 4.81 -2.00 -0.55 114.58 120.37 3bgr h GLU 28 Ca -0.45 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.61 3bgr h GLU 28 Cb 1.24 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3bgr h GLU 28 CO 0.56 0.58 -0.28 1.05 -0.73 0.00 0.00 179.01 180.19 3bgr h GLU 29 N 0.90 0.69 -0.02 1.92 4.11 -1.99 -1.12 114.58 119.07 3bgr h GLU 29 Ca 0.35 -0.30 -0.19 0.00 0.07 0.00 0.00 59.36 59.29 3bgr h GLU 29 Cb 0.20 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3bgr h GLU 29 CO -0.12 0.89 -0.81 0.87 0.07 0.00 0.00 179.01 179.92 3bgr h LYS 30 N 0.60 0.25 -0.13 1.06 1.57 -1.75 -2.03 116.57 116.13 3bgr h LYS 30 Ca 0.08 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3bgr h LYS 30 Cb 0.78 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3bgr h LYS 30 CO 0.06 0.93 -0.00 0.82 -0.57 0.00 0.00 179.45 180.69 3bgr h ILE 31 N 0.15 1.26 -0.85 1.86 2.04 -0.96 -1.34 117.51 119.67 3bgr h ILE 31 Ca -0.04 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.01 3bgr h ILE 31 Cb 1.40 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 39.00 3bgr h ILE 31 CO 0.13 0.24 0.55 0.50 0.00 0.00 0.00 178.15 179.57 3bgr h LYS 32 N -0.05 1.04 -0.72 2.37 3.64 -1.17 -0.41 116.57 121.27 3bgr h LYS 32 Ca 0.04 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3bgr h LYS 32 Cb 0.38 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3bgr h LYS 32 CO 0.01 0.69 0.34 0.00 -2.27 0.00 0.00 179.45 178.21 3bgr h ALA 33 N 1.35 0.93 -0.30 5.00 0.00 -1.24 -2.37 119.26 122.64 3bgr h ALA 33 Ca 0.34 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3bgr h ALA 33 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3bgr h ALA 33 CO -0.11 0.50 -0.33 -0.07 0.00 0.00 0.00 179.25 179.24 3bgr h LEU 34 N 1.01 0.66 -0.46 0.00 3.38 -0.34 -1.42 115.31 118.14 3bgr h LEU 34 Ca 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3bgr h LEU 34 Cb 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3bgr h LEU 34 CO -0.03 0.94 0.20 0.58 0.09 0.00 0.00 178.44 180.22 3bgr h VAL 35 N 0.54 1.20 -0.32 1.22 2.07 -0.92 0.43 116.25 120.47 3bgr h VAL 35 Ca 0.06 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3bgr h VAL 35 Cb 0.83 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3bgr h VAL 35 CO 0.07 0.22 0.10 -0.08 0.02 0.00 0.00 177.57 177.90 3bgr h GLU 36 N 0.60 0.50 -0.10 1.57 4.81 -1.24 -0.69 114.58 120.03 3bgr h GLU 36 Ca 0.15 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3bgr h GLU 36 Cb 0.16 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3bgr h GLU 36 CO -0.02 0.54 0.03 0.82 -0.73 0.00 0.00 179.01 179.65 3bgr h ILE 37 N 0.37 1.18 -0.09 2.32 2.04 -1.11 -2.66 117.51 119.55 3bgr h ILE 37 Ca 0.10 -0.53 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 3bgr h ILE 37 Cb 0.24 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3bgr h ILE 37 CO -0.00 0.15 -0.30 0.00 0.00 0.00 0.00 178.15 178.00 3bgr h THR 39 N 0.16 1.11 -0.70 0.00 2.02 -1.04 -0.57 112.91 113.89 3bgr h THR 39 Ca 0.02 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 3bgr h THR 39 Cb 0.62 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3bgr h THR 39 CO 0.04 0.09 0.16 -0.33 0.37 0.00 0.00 175.52 175.86 3bgr h GLU 40 N 0.04 1.13 0.00 6.66 3.07 -1.16 -1.99 114.58 122.33 3bgr h GLU 40 Ca 0.03 -0.28 -0.05 0.00 -0.50 0.00 0.00 59.36 58.56 3bgr h GLU 40 Cb 0.11 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 3bgr h GLU 40 CO -0.00 1.00 -0.26 0.52 -1.40 0.00 0.00 179.01 178.87 3bgr h MET 41 N 1.07 0.00 -0.13 2.33 2.86 -0.74 -2.29 114.93 118.03 3bgr h MET 41 Ca 0.22 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.67 3bgr h MET 41 Cb 0.39 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.06 3bgr h MET 41 CO 0.00 0.26 -0.67 1.49 1.06 0.00 0.00 176.91 179.06 3bgr h GLU 42 N 0.00 0.68 -0.69 1.72 4.81 -0.63 -0.62 114.58 119.85 3bgr h GLU 42 Ca -0.00 -0.56 0.01 0.00 -0.13 0.00 0.00 59.36 58.68 3bgr h GLU 42 Cb 0.47 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 3bgr h GLU 42 CO 0.03 1.17 0.46 0.87 -0.73 0.00 0.00 179.01 180.82 3bgr h LYS 43 N 0.36 0.91 -0.03 1.92 1.57 -1.11 -1.10 116.57 119.08 3bgr h LYS 43 Ca -0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3bgr h LYS 43 Cb 1.30 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3bgr h LYS 43 CO 0.14 0.60 0.00 0.39 -0.57 0.00 0.00 179.45 180.01 3bgr n GLU 44 N -4.43 1.10 -0.84 3.15 1.02 -0.88 -4.91 120.64 114.85 3bgr n GLU 44 Ca 0.07 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3bgr n GLU 44 Cb 0.04 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3bgr n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bgr n GLY 45 N 0.68 0.48 0.23 0.62 0.00 -0.42 -4.88 105.19 101.91 3bgr n GLY 45 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 3bgr n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bgr h LYS 46 N 1.37 0.39 -4.63 1.61 1.57 -1.35 -3.42 116.57 112.11 3bgr h LYS 46 Ca 0.00 -0.13 -0.24 0.00 -1.87 0.00 0.00 60.65 58.41 3bgr h LYS 46 Cb 0.12 -0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.25 3bgr h LYS 46 CO 0.00 0.60 -0.66 0.96 -0.57 0.00 0.00 179.45 179.77 3bgr s ILE 47 N -4.53 0.48 -0.01 1.86 -4.36 -1.23 -0.68 121.20 112.73 3bgr s ILE 47 Ca -0.06 -1.94 -0.03 0.00 -0.26 0.00 0.00 60.65 58.36 3bgr s ILE 47 Cb 0.14 -1.99 0.00 0.00 1.25 0.00 0.00 42.46 41.86 3bgr s ILE 47 CO 0.77 -0.57 0.06 -0.44 0.24 0.00 0.00 174.94 175.00 3bgr s SER 48 N -3.10 0.00 0.65 4.36 0.01 -0.53 -4.48 113.70 110.61 3bgr s SER 48 Ca 0.21 -0.03 -0.18 0.00 1.31 0.00 0.00 55.95 57.26 3bgr s SER 48 Cb 0.07 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.43 3bgr s SER 48 CO 0.01 -0.13 1.29 -0.54 0.41 0.00 0.00 173.24 174.28 3bgr s LYS 49 N -0.46 2.55 0.19 12.44 -0.14 -1.26 -1.78 119.74 131.27 3bgr s LYS 49 Ca -0.05 2.06 0.07 0.00 -1.36 0.00 0.00 55.97 56.69 3bgr s LYS 49 Cb -0.03 -1.85 -0.05 0.00 -1.68 0.00 0.00 37.83 34.23 3bgr s LYS 49 CO 0.00 -1.60 -0.15 0.96 -0.76 0.00 0.00 175.35 173.81 3bgr s ILE 50 N -1.41 1.68 0.56 2.17 -4.36 -1.01 -4.82 121.20 114.02 3bgr s ILE 50 Ca 0.82 -2.12 0.07 0.00 -0.26 0.00 0.00 60.65 59.16 3bgr s ILE 50 Cb -0.37 -1.96 0.10 0.00 1.25 0.00 0.00 42.46 41.47 3bgr s ILE 50 CO 0.40 -0.55 0.78 0.61 0.24 0.00 0.00 174.94 176.41 3bgr n GLY 51 N -0.21 1.65 0.00 6.27 0.00 -1.26 -4.78 105.19 106.86 3bgr n GLY 51 Ca -0.09 -2.17 0.05 0.00 0.00 0.00 0.00 46.02 43.81 3bgr n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bgr n PRO 52 N -2.29 0.12 0.00 1.61 -0.04 -1.26 -2.62 135.00 130.53 3bgr n PRO 52 Ca 0.15 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 3bgr n PRO 52 Cb 0.55 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.08 3bgr n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3bgr n GLU 53 N -1.33 0.17 -3.45 0.54 0.00 -1.26 -4.51 120.64 110.80 3bgr n GLU 53 Ca 0.05 0.06 -0.41 0.00 0.00 0.00 0.00 57.16 56.86 3bgr n GLU 53 Cb 0.09 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.94 3bgr n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3bgr s ASN 54 N -2.80 6.12 0.01 -1.84 3.84 -1.08 -4.95 114.94 114.25 3bgr s ASN 54 Ca 0.17 -0.52 0.23 0.00 0.21 0.00 0.00 52.86 52.96 3bgr s ASN 54 Cb 0.16 -2.17 0.16 0.00 -0.55 0.00 0.00 41.25 38.85 3bgr s ASN 54 CO 0.42 -0.36 1.15 -0.81 -2.79 0.00 0.00 177.10 174.71 3bgr n PRO 55 N 5.27 0.08 -1.33 0.43 -0.04 -1.26 -4.97 135.00 133.18 3bgr n PRO 55 Ca -0.11 -0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 3bgr n PRO 55 Cb 0.49 -1.53 0.11 0.00 -0.04 0.00 0.00 33.50 32.53 3bgr n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3bgr s TYR 56 N -3.06 2.58 -0.21 0.54 1.51 -1.26 -4.87 117.35 112.58 3bgr s TYR 56 Ca 0.08 1.34 -0.27 0.00 -1.01 0.00 0.00 57.07 57.21 3bgr s TYR 56 Cb 0.16 -3.09 0.11 0.00 -0.11 0.00 0.00 41.96 39.04 3bgr s TYR 56 CO 0.78 -1.97 0.95 1.21 -1.11 0.00 0.00 175.55 175.41 3bgr s ASN 57 N -3.55 -0.47 -0.03 2.29 2.47 0.12 -4.70 114.94 111.07 3bgr s ASN 57 Ca 0.62 0.75 0.03 0.00 0.42 0.00 0.00 52.86 54.68 3bgr s ASN 57 Cb -0.17 0.71 0.00 0.00 -1.45 0.00 0.00 41.25 40.34 3bgr s ASN 57 CO 0.56 -0.27 -0.10 -0.89 -3.72 0.00 0.00 177.10 172.68 3bgr s THR 58 N -0.36 0.86 0.68 -5.21 2.01 -0.44 -0.83 115.64 112.36 3bgr s THR 58 Ca -0.00 -0.41 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 3bgr s THR 58 Cb -0.03 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.74 3bgr s THR 58 CO -0.01 0.26 1.19 -2.84 -0.69 0.00 0.00 174.62 172.54 3bgr s PRO 59 N 0.14 2.47 0.05 4.92 0.02 -1.26 -4.28 135.00 137.06 3bgr s PRO 59 Ca -0.03 1.73 0.01 0.00 0.02 0.00 0.00 61.00 62.73 3bgr s PRO 59 Cb -0.08 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 3bgr s PRO 59 CO 0.01 -1.58 -0.05 0.54 -0.33 0.00 0.00 177.00 175.59 3bgr s VAL 60 N -1.92 0.38 0.03 3.83 0.11 -1.26 -1.08 120.40 120.48 3bgr s VAL 60 Ca 0.74 -1.34 -0.01 0.00 -2.93 0.00 0.00 61.98 58.44 3bgr s VAL 60 Cb -0.28 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 3bgr s VAL 60 CO 0.41 -0.64 0.06 2.22 -3.33 0.00 0.00 175.10 173.82 3bgr n PHE 61 N 0.94 -1.08 -4.13 1.54 1.16 -0.67 -4.84 117.46 110.38 3bgr n PHE 61 Ca -0.19 -0.14 -0.15 0.00 -1.87 0.00 0.00 57.45 55.10 3bgr n PHE 61 Cb 0.57 0.07 -0.13 0.00 -1.61 0.00 0.00 39.48 38.39 3bgr n PHE 61 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3bgr s ALA 62 N -1.11 0.61 0.33 1.98 0.00 -1.26 -1.75 121.76 120.57 3bgr s ALA 62 Ca 0.01 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3bgr s ALA 62 Cb -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3bgr s ALA 62 CO 0.01 0.05 0.16 0.96 0.00 0.00 0.00 175.76 176.94 3bgr s ILE 63 N -0.94 0.37 -0.15 0.00 -4.36 -0.10 -4.91 121.20 111.11 3bgr s ILE 63 Ca -0.05 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.34 3bgr s ILE 63 Cb -0.07 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.19 3bgr s ILE 63 CO 0.00 0.00 -0.06 -0.54 0.24 0.00 0.00 174.94 174.59 3bgr s LYS 64 N -3.76 1.42 0.00 0.37 1.02 -1.26 0.32 119.74 117.84 3bgr s LYS 64 Ca 0.34 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.92 3bgr s LYS 64 Cb 0.04 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 3bgr s LYS 64 CO 0.18 -0.38 0.00 1.63 -0.92 0.00 0.00 175.35 175.86 3bgr n LYS 65 N 4.91 -1.15 -1.44 1.68 5.02 -1.26 -4.71 118.16 121.20 3bgr n LYS 65 Ca -0.12 0.00 -0.51 0.00 -2.02 0.00 0.00 58.31 55.66 3bgr n LYS 65 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 3bgr n LYS 65 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bgr n LYS 66 N -1.57 1.04 -4.17 1.97 4.76 -1.26 -3.32 118.16 115.61 3bgr n LYS 66 Ca 0.00 0.28 -0.33 0.00 -2.87 0.00 0.00 58.31 55.39 3bgr n LYS 66 Cb 0.00 -2.44 -0.03 0.00 -1.84 0.00 0.00 35.03 30.72 3bgr n LYS 66 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3bgr n ASP 67 N 9.85 -2.21 -4.20 4.39 9.92 -1.26 -4.99 116.55 128.06 3bgr n ASP 67 Ca 0.42 -1.03 -0.14 0.00 -0.53 0.00 0.00 54.79 53.50 3bgr n ASP 67 Cb 0.22 -2.74 -0.11 0.00 -0.64 0.00 0.00 41.12 37.86 3bgr n ASP 67 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3bgr s SER 68 N -3.65 1.55 -0.20 -2.24 0.15 -1.21 -5.04 113.70 103.05 3bgr s SER 68 Ca 0.50 -0.87 0.15 0.00 0.70 0.00 0.00 55.95 56.43 3bgr s SER 68 Cb -0.27 0.00 0.57 0.00 -1.71 0.00 0.00 66.02 64.61 3bgr s SER 68 CO 0.92 -0.28 1.48 0.35 1.20 0.00 0.00 173.24 176.91 3bgr n THR 69 N 0.34 2.40 -3.97 6.45 -2.24 -1.26 -4.60 114.28 111.39 3bgr n THR 69 Ca -0.14 -1.90 -0.35 0.00 -2.27 0.00 0.00 64.05 59.39 3bgr n THR 69 Cb 0.59 -0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 3bgr n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3bgr s LYS 70 N -2.87 3.83 0.40 -0.78 2.20 -1.26 -5.08 119.74 116.18 3bgr s LYS 70 Ca 0.44 -0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 55.39 3bgr s LYS 70 Cb 0.36 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 33.37 3bgr s LYS 70 CO 0.09 0.11 1.29 -1.58 -0.36 0.00 0.00 175.35 174.90 3bgr s TRP 71 N 0.81 2.84 0.00 4.03 0.52 -1.26 -4.45 118.94 121.43 3bgr s TRP 71 Ca 0.03 1.43 0.07 0.00 0.02 0.00 0.00 56.10 57.64 3bgr s TRP 71 Cb -0.14 -3.64 -0.02 0.00 -1.15 0.00 0.00 33.47 28.52 3bgr s TRP 71 CO 0.02 -2.01 -0.21 0.50 0.02 0.00 0.00 176.95 175.27 3bgr s ARG 72 N -2.24 1.61 0.04 4.98 3.52 0.15 -4.94 118.95 122.06 3bgr s ARG 72 Ca 0.57 -0.81 -0.25 0.00 -0.13 0.00 0.00 55.73 55.12 3bgr s ARG 72 Cb -0.37 -1.61 -0.05 0.00 -1.56 0.00 0.00 34.95 31.36 3bgr s ARG 72 CO 0.48 0.43 0.75 0.21 -0.81 0.00 0.00 175.30 176.36 3bgr s LYS 73 N -0.69 4.48 -0.10 5.12 2.20 -1.26 -0.92 119.74 128.57 3bgr s LYS 73 Ca 0.08 1.04 -0.00 0.00 -0.36 0.00 0.00 55.97 56.73 3bgr s LYS 73 Cb -0.08 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.90 3bgr s LYS 73 CO -0.00 0.28 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.03 3bgr s LEU 74 N -0.03 1.19 -0.16 5.43 2.96 -0.72 -4.93 118.68 122.42 3bgr s LEU 74 Ca 0.38 -0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 53.92 3bgr s LEU 74 Cb -0.20 -0.79 -0.05 0.00 0.50 0.00 0.00 46.19 45.65 3bgr s LEU 74 CO 0.22 -0.11 0.16 -0.69 -1.32 0.00 0.00 176.35 174.62 3bgr s VAL 75 N 1.59 5.42 -1.11 1.68 1.01 -1.26 -1.67 120.40 126.06 3bgr s VAL 75 Ca 0.02 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 3bgr s VAL 75 Cb -0.13 -3.47 0.15 0.00 0.00 0.00 0.00 36.38 32.94 3bgr s VAL 75 CO -0.06 0.50 1.33 -0.62 0.00 0.00 0.00 175.10 176.24 3bgr s ASP 76 N -0.13 6.91 -0.05 3.32 2.15 -0.24 -4.83 116.67 123.80 3bgr s ASP 76 Ca 0.12 -2.64 0.02 0.00 0.43 0.00 0.00 52.55 50.47 3bgr s ASP 76 Cb -0.12 -2.40 0.14 0.00 -0.30 0.00 0.00 42.92 40.24 3bgr s ASP 76 CO 0.01 -0.87 0.79 0.49 -0.17 0.00 0.00 175.17 175.42 3bgr n PHE 77 N 6.02 0.40 -0.25 -5.34 0.99 -1.26 -4.24 117.46 113.78 3bgr n PHE 77 Ca 0.32 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.45 57.54 3bgr n PHE 77 Cb 0.45 -0.21 0.10 0.00 -1.00 0.00 0.00 39.48 38.83 3bgr n PHE 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3bgr h ARG 78 N 0.64 0.75 -0.11 -1.08 3.08 -1.90 0.15 114.38 115.91 3bgr h ARG 78 Ca 0.02 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3bgr h ARG 78 Cb 0.85 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 3bgr h ARG 78 CO 0.11 0.50 -0.09 1.49 -1.07 0.00 0.00 179.97 180.90 3bgr h GLU 79 N 0.77 0.25 -0.53 0.04 4.57 -2.00 -2.69 114.58 114.98 3bgr h GLU 79 Ca 0.31 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3bgr h GLU 79 Cb 0.16 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 3bgr h GLU 79 CO -0.17 0.64 0.33 1.25 -1.18 0.00 0.00 179.01 179.88 3bgr h LEU 80 N -0.15 0.63 -0.35 1.64 5.85 -1.82 -2.59 115.31 118.53 3bgr h LEU 80 Ca 0.02 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3bgr h LEU 80 Cb 0.59 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3bgr h LEU 80 CO 0.02 0.48 0.06 0.78 -0.34 0.00 0.00 178.44 179.44 3bgr h ASN 81 N 0.73 0.55 0.23 1.25 2.35 -0.60 0.39 115.58 120.49 3bgr h ASN 81 Ca 0.19 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3bgr h ASN 81 Cb -0.04 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.19 3bgr h ASN 81 CO -0.04 0.66 0.00 2.29 -1.65 0.00 0.00 177.43 178.69 3bgr n LYS 82 N -4.59 0.49 0.00 0.81 2.85 -1.03 -2.26 118.16 114.44 3bgr n LYS 82 Ca -0.01 0.04 0.05 0.00 -1.05 0.00 0.00 58.31 57.34 3bgr n LYS 82 Cb 0.22 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 3bgr n LYS 82 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3bgr n ARG 83 N -1.16 2.97 -2.99 -1.58 1.74 -0.85 -4.95 116.66 109.83 3bgr n ARG 83 Ca 0.13 -0.31 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 3bgr n ARG 83 Cb 0.13 -1.01 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 3bgr n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3bgr s THR 84 N -1.60 4.94 -0.06 0.55 2.01 0.07 -1.58 115.64 119.98 3bgr s THR 84 Ca 0.06 1.43 -0.41 0.00 0.31 0.00 0.00 61.69 63.09 3bgr s THR 84 Cb 0.08 -4.05 -0.20 0.00 0.01 0.00 0.00 72.50 68.34 3bgr s THR 84 CO 0.31 0.06 1.15 0.00 -0.69 0.00 0.00 174.62 175.45 3bgr n GLN 85 N 5.15 0.06 -1.53 4.92 10.64 -1.11 -4.68 117.38 130.83 3bgr n GLN 85 Ca 0.02 0.02 -0.54 0.00 -1.83 0.00 0.00 57.00 54.67 3bgr n GLN 85 Cb 0.49 -1.53 -0.07 0.00 -0.86 0.00 0.00 30.24 28.27 3bgr n GLN 85 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3bgr n ASP 86 N 1.86 2.16 -4.56 2.61 8.00 -1.26 -4.80 116.55 120.56 3bgr n ASP 86 Ca 0.21 0.69 -0.43 0.00 0.71 0.00 0.00 54.79 55.98 3bgr n ASP 86 Cb 0.07 -1.19 -0.00 0.00 -0.02 0.00 0.00 41.12 39.97 3bgr n ASP 86 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3bgr s PHE 87 N 5.74 2.86 -0.79 1.24 0.40 -1.26 -4.95 117.98 121.22 3bgr s PHE 87 Ca 1.06 -1.61 -0.24 0.00 -0.60 0.00 0.00 56.93 55.55 3bgr s PHE 87 Cb -0.99 -4.68 0.06 0.00 0.51 0.00 0.00 43.02 37.93 3bgr s PHE 87 CO 0.57 -1.76 1.20 -1.58 0.70 0.00 0.00 175.22 174.35 3bgr s TRP 88 N 3.90 2.55 0.00 0.36 0.52 -1.26 -4.99 118.94 120.02 3bgr s TRP 88 Ca 0.51 -0.53 0.00 0.00 0.02 0.00 0.00 56.10 56.10 3bgr s TRP 88 Cb 0.02 -4.50 0.00 0.00 -1.15 0.00 0.00 33.47 27.84 3bgr s TRP 88 CO 0.04 -1.85 0.00 0.39 0.02 0.00 0.00 176.95 175.56 3bgr n GLU 89 N 8.42 1.03 -0.03 4.98 4.71 -1.26 -4.88 120.64 133.61 3bgr n GLU 89 Ca 0.10 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.31 3bgr n GLU 89 Cb 0.48 0.00 0.32 0.00 -1.01 0.00 0.00 31.44 31.23 3bgr n GLU 89 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3bgr n VAL 90 N -0.23 0.09 0.65 2.62 0.31 -1.26 -3.50 118.33 117.00 3bgr n VAL 90 Ca 0.00 -0.11 0.12 0.00 -0.01 0.00 0.00 64.34 64.35 3bgr n VAL 90 Cb 0.00 -0.04 0.25 0.00 -0.91 0.00 0.00 33.84 33.14 3bgr n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bgr n GLN 91 N -0.38 0.24 -0.91 5.55 10.64 -1.26 -4.90 117.38 126.36 3bgr n GLN 91 Ca 0.10 0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 3bgr n GLN 91 Cb 0.11 -1.68 0.00 0.00 -0.86 0.00 0.00 30.24 27.81 3bgr n GLN 91 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3bgr n LEU 92 N -2.04 0.67 -0.81 2.61 4.77 -1.23 -3.93 117.00 117.04 3bgr n LEU 92 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3bgr n LEU 92 Cb 0.42 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 3bgr n LEU 92 CO 0.35 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 3bgr n GLY 93 N -0.78 -1.67 3.61 -0.72 0.00 -1.26 -4.86 105.19 99.50 3bgr n GLY 93 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 3bgr n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bgr s ILE 94 N 0.00 3.26 -0.31 -0.61 1.01 -1.25 -4.88 121.20 118.41 3bgr s ILE 94 Ca 0.00 0.27 -0.33 0.00 0.00 0.00 0.00 60.65 60.58 3bgr s ILE 94 Cb 0.00 -3.33 -0.10 0.00 0.01 0.00 0.00 42.46 39.04 3bgr s ILE 94 CO 0.00 -0.20 2.20 -0.81 0.00 0.00 0.00 174.94 176.13 3bgr n PRO 95 N 8.47 1.30 -1.31 2.79 -0.04 -1.26 -4.78 135.00 140.17 3bgr n PRO 95 Ca 0.26 0.35 -0.51 0.00 -0.04 0.00 0.00 63.50 63.56 3bgr n PRO 95 Cb 0.45 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.18 3bgr n PRO 95 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3bgr n HIS 96 N 10.32 0.89 -1.77 0.54 -0.00 -1.26 -4.74 115.22 119.20 3bgr n HIS 96 Ca 0.38 0.90 -0.19 0.00 0.46 0.00 0.00 57.72 59.27 3bgr n HIS 96 Cb 0.29 -1.76 -0.06 0.00 -0.12 0.00 0.00 29.99 28.33 3bgr n HIS 96 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3bgr s PRO 97 N 0.98 2.01 0.00 1.57 0.04 -1.26 -4.78 135.00 133.56 3bgr s PRO 97 Ca 0.79 0.16 0.01 0.00 0.04 0.00 0.00 61.00 62.00 3bgr s PRO 97 Cb -1.12 -4.90 0.05 0.00 0.04 0.00 0.00 34.50 28.57 3bgr s PRO 97 CO 0.55 -3.99 0.77 0.00 0.04 0.00 0.00 177.00 174.37 3bgr n ALA 98 N 16.67 1.31 0.87 8.56 0.00 -1.26 -1.54 120.51 145.12 3bgr n ALA 98 Ca 0.44 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.97 3bgr n ALA 98 Cb 0.45 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 3bgr n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bgr n GLY 99 N -1.15 -0.99 0.34 0.00 0.00 -1.26 -4.30 105.19 97.84 3bgr n GLY 99 Ca 0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 3bgr n GLY 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bgr h LEU 100 N 0.00 0.99 -1.37 0.99 5.85 -1.59 -2.45 115.31 117.73 3bgr h LEU 100 Ca 0.00 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3bgr h LEU 100 Cb 0.56 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3bgr h LEU 100 CO 0.00 0.82 -0.15 0.07 -0.34 0.00 0.00 178.44 178.84 3bgr h LYS 101 N 1.10 0.00 0.00 1.25 2.10 -1.75 -2.96 116.57 116.30 3bgr h LYS 101 Ca 0.27 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.86 3bgr h LYS 101 Cb 0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 3bgr h LYS 101 CO -0.04 0.15 -0.71 0.87 -2.00 0.00 0.00 179.45 177.72 3bgr h LYS 102 N 0.00 0.00 -6.82 0.07 1.57 -1.67 -3.36 116.57 106.36 3bgr h LYS 102 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3bgr h LYS 102 Cb 0.61 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.00 3bgr h LYS 102 CO 0.02 0.16 0.86 0.15 -0.57 0.00 0.00 179.45 180.07 3bgr s LYS 103 N -3.15 4.13 0.24 3.15 -0.14 -1.07 -4.58 119.74 118.33 3bgr s LYS 103 Ca 0.02 2.55 -0.11 0.00 -1.36 0.00 0.00 55.97 57.07 3bgr s LYS 103 Cb 0.08 -3.02 0.34 0.00 -1.68 0.00 0.00 37.83 33.54 3bgr s LYS 103 CO 0.75 -0.60 1.60 0.87 -0.76 0.00 0.00 175.35 177.22 3bgr h LYS 104 N 4.57 0.00 -4.03 1.68 1.79 -1.90 -3.29 116.57 115.39 3bgr h LYS 104 Ca -0.48 -0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 57.85 3bgr h LYS 104 Cb 1.22 -0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.69 3bgr h LYS 104 CO 0.77 0.00 -0.65 -1.12 -1.08 0.00 0.00 179.45 177.37 3bgr s SER 105 N -5.24 0.31 -0.02 0.86 0.01 -1.14 -4.07 113.70 104.41 3bgr s SER 105 Ca -0.15 -0.68 -0.00 0.00 1.31 0.00 0.00 55.95 56.43 3bgr s SER 105 Cb 0.23 0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.65 3bgr s SER 105 CO 0.75 -0.45 0.03 -0.69 0.41 0.00 0.00 173.24 173.29 3bgr s VAL 106 N -2.59 -0.06 -0.08 3.43 1.01 0.49 -2.34 120.40 120.26 3bgr s VAL 106 Ca -0.05 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 3bgr s VAL 106 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 3bgr s VAL 106 CO -0.05 0.10 -0.05 -0.89 0.00 0.00 0.00 175.10 174.21 3bgr s THR 107 N 1.15 3.91 -0.24 3.92 2.01 -0.53 0.39 115.64 126.26 3bgr s THR 107 Ca -0.08 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 3bgr s THR 107 Cb -0.13 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 3bgr s THR 107 CO -0.03 0.60 0.03 -0.69 -0.69 0.00 0.00 174.62 173.84 3bgr s VAL 108 N -0.81 3.99 -0.08 3.82 1.01 0.59 -0.24 120.40 128.68 3bgr s VAL 108 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3bgr s VAL 108 Cb -0.11 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3bgr s VAL 108 CO 0.02 0.37 -0.03 -0.76 0.00 0.00 0.00 175.10 174.70 3bgr s LEU 109 N 1.52 3.38 -0.54 3.92 1.43 0.36 -2.91 118.68 125.84 3bgr s LEU 109 Ca 0.06 0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 53.01 3bgr s LEU 109 Cb -0.15 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.38 3bgr s LEU 109 CO 0.01 0.37 0.72 -0.62 0.23 0.00 0.00 176.35 177.06 3bgr s ASP 110 N -0.82 6.24 -0.17 2.29 2.15 -1.26 -0.61 116.67 124.48 3bgr s ASP 110 Ca 0.13 -0.86 0.16 0.00 0.43 0.00 0.00 52.55 52.41 3bgr s ASP 110 Cb -0.11 -2.33 0.55 0.00 -0.30 0.00 0.00 42.92 40.72 3bgr s ASP 110 CO 0.02 -1.02 1.45 1.33 -0.17 0.00 0.00 175.17 176.77 3bgr n VAL 111 N 5.75 2.23 -0.26 1.11 0.24 -0.54 -4.57 118.33 122.30 3bgr n VAL 111 Ca -0.05 -1.76 0.12 0.00 -2.04 0.00 0.00 64.34 60.61 3bgr n VAL 111 Cb 0.45 -0.20 0.39 0.00 -1.47 0.00 0.00 33.84 33.02 3bgr n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3bgr h GLY 112 N 2.06 1.16 0.18 7.63 0.00 -1.89 -2.03 103.07 110.19 3bgr h GLY 112 Ca 0.00 -0.29 0.18 0.00 0.00 0.00 0.00 47.33 47.23 3bgr h GLY 112 CO 0.23 0.08 0.62 -0.55 0.00 0.00 0.00 176.54 176.92 3bgr h ASP 113 N 0.66 0.78 -0.91 0.19 3.32 -1.93 -0.43 116.42 118.11 3bgr h ASP 113 Ca 0.44 0.09 0.21 0.00 0.02 0.00 0.00 57.03 57.79 3bgr h ASP 113 Cb 0.74 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 40.12 3bgr h ASP 113 CO -0.20 0.29 0.43 0.00 -1.72 0.00 0.00 179.24 178.05 3bgr h ALA 114 N 1.63 1.47 -0.98 3.45 0.00 -1.75 -0.02 119.26 123.06 3bgr h ALA 114 Ca 0.56 0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.84 3bgr h ALA 114 Cb 0.88 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 3bgr h ALA 114 CO -0.35 -0.29 0.63 1.88 0.00 0.00 0.00 179.25 181.12 3bgr h TYR 115 N 0.47 0.71 0.00 0.00 0.99 -1.23 -1.78 116.97 116.13 3bgr h TYR 115 Ca 0.56 0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.31 3bgr h TYR 115 Cb 1.03 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 38.54 3bgr h TYR 115 CO -0.11 0.13 0.00 1.19 -0.00 0.00 0.00 178.16 179.37 3bgr n PHE 116 N -4.61 0.00 1.01 4.88 0.99 -0.02 -1.78 117.46 117.93 3bgr n PHE 116 Ca 0.23 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.78 3bgr n PHE 116 Cb 0.74 -0.04 -0.04 0.00 -1.00 0.00 0.00 39.48 39.15 3bgr n PHE 116 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3bgr n SER 117 N -1.04 1.42 -4.47 4.37 3.41 -0.67 -4.88 113.62 111.76 3bgr n SER 117 Ca 0.04 -1.19 -0.35 0.00 -0.26 0.00 0.00 58.87 57.11 3bgr n SER 117 Cb 0.02 0.72 -0.12 0.00 -0.26 0.00 0.00 64.21 64.57 3bgr n SER 117 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3bgr s VAL 118 N -2.76 4.06 0.57 -3.33 1.01 -0.73 -4.82 120.40 114.40 3bgr s VAL 118 Ca 0.13 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 3bgr s VAL 118 Cb 0.17 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3bgr s VAL 118 CO 0.72 0.43 1.11 -2.16 0.00 0.00 0.00 175.10 175.20 3bgr s PRO 119 N 0.96 3.24 -0.02 2.72 0.04 -1.26 -1.60 135.00 139.08 3bgr s PRO 119 Ca 0.02 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.52 3bgr s PRO 119 Cb -0.14 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3bgr s PRO 119 CO 0.02 -0.91 0.17 -1.17 0.04 0.00 0.00 177.00 175.14 3bgr s LEU 120 N -4.13 4.33 -0.27 -3.56 2.96 0.25 -4.63 118.68 113.64 3bgr s LEU 120 Ca 0.70 0.35 -0.34 0.00 -0.22 0.00 0.00 54.13 54.62 3bgr s LEU 120 Cb -0.21 -2.52 -0.10 0.00 0.50 0.00 0.00 46.19 43.86 3bgr s LEU 120 CO 0.31 0.28 2.13 -0.67 -1.32 0.00 0.00 176.35 177.08 3bgr n ASP 121 N 1.09 2.65 -0.33 3.68 2.03 -1.26 -4.83 116.55 119.59 3bgr n ASP 121 Ca -0.12 0.49 0.25 0.00 0.52 0.00 0.00 54.79 55.93 3bgr n ASP 121 Cb 0.53 -1.35 0.47 0.00 -0.72 0.00 0.00 41.12 40.05 3bgr n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3bgr h GLU 122 N 12.26 0.04 0.00 -0.67 4.57 -1.95 0.53 114.58 129.36 3bgr h GLU 122 Ca -0.35 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3bgr h GLU 122 Cb 1.29 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3bgr h GLU 122 CO 0.99 0.03 0.00 -0.44 -1.18 0.00 0.00 179.01 178.40 3bgr h ASP 123 N 0.04 0.00 0.31 1.04 3.32 -1.93 -3.12 116.42 116.08 3bgr h ASP 123 Ca 0.75 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.59 3bgr h ASP 123 Cb 1.82 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.33 3bgr h ASP 123 CO -0.80 0.00 -1.87 0.33 -1.72 0.00 0.00 179.24 175.18 3bgr n PHE 124 N -2.35 0.45 -0.29 4.55 7.35 0.18 -4.52 117.46 122.83 3bgr n PHE 124 Ca 0.03 0.15 0.07 0.00 -0.76 0.00 0.00 57.45 56.94 3bgr n PHE 124 Cb 0.29 -0.94 0.18 0.00 0.35 0.00 0.00 39.48 39.36 3bgr n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3bgr h ARG 125 N 0.00 0.06 -1.07 -4.13 3.08 -1.38 0.73 114.38 111.68 3bgr h ARG 125 Ca -0.26 -0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.10 3bgr h ARG 125 Cb 1.69 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.69 3bgr h ARG 125 CO 0.03 0.04 0.78 1.57 -1.07 0.00 0.00 179.97 181.32 3bgr h LYS 126 N 0.06 0.00 0.00 0.04 2.10 -1.79 0.15 116.57 117.12 3bgr h LYS 126 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 3bgr h LYS 126 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 3bgr h LYS 126 CO -0.77 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.34 3bgr n TYR 127 N -4.17 0.77 -0.89 0.07 0.53 0.25 -2.88 117.16 110.84 3bgr n TYR 127 Ca 0.23 0.27 0.03 0.00 -1.02 0.00 0.00 57.90 57.41 3bgr n TYR 127 Cb 1.14 -0.93 0.37 0.00 -1.03 0.00 0.00 39.34 38.89 3bgr n TYR 127 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 3bgr n THR 128 N -2.17 2.76 -1.99 -0.72 -2.24 0.51 -4.64 114.28 105.80 3bgr n THR 128 Ca 0.04 -1.42 -0.39 0.00 -2.27 0.00 0.00 64.05 60.00 3bgr n THR 128 Cb 0.30 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.23 3bgr n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bgr s ALA 129 N -2.78 3.11 0.11 6.98 0.00 -1.14 -4.22 121.76 123.83 3bgr s ALA 129 Ca 0.54 1.24 -0.10 0.00 0.00 0.00 0.00 51.96 53.64 3bgr s ALA 129 Cb 0.41 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3bgr s ALA 129 CO 0.15 -0.98 0.25 -0.59 0.00 0.00 0.00 175.76 174.59 3bgr s PHE 130 N -1.31 0.13 -0.06 0.00 -0.12 -0.47 -1.33 117.98 114.83 3bgr s PHE 130 Ca 0.62 -0.53 0.04 0.00 -0.05 0.00 0.00 56.93 57.01 3bgr s PHE 130 Cb -0.38 0.01 -0.00 0.00 -0.63 0.00 0.00 43.02 42.01 3bgr s PHE 130 CO 0.48 -0.61 -0.20 0.99 -0.05 0.00 0.00 175.22 175.82 3bgr s THR 131 N -3.87 1.67 -0.43 -4.49 2.01 -1.26 -1.80 115.64 107.47 3bgr s THR 131 Ca 0.07 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 61.07 3bgr s THR 131 Cb 0.04 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 71.14 3bgr s THR 131 CO -0.09 0.47 0.43 -0.63 -0.69 0.00 0.00 174.62 174.11 3bgr s ILE 132 N 0.12 5.11 0.89 1.82 1.01 -0.34 -4.70 121.20 125.11 3bgr s ILE 132 Ca -0.08 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 3bgr s ILE 132 Cb -0.14 -4.05 0.12 0.00 0.01 0.00 0.00 42.46 38.40 3bgr s ILE 132 CO 0.04 -0.45 1.11 -2.16 0.00 0.00 0.00 174.94 173.48 3bgr s PRO 133 N 2.07 1.32 0.10 2.79 0.04 -1.26 -1.31 135.00 138.74 3bgr s PRO 133 Ca 0.11 0.50 0.08 0.00 0.04 0.00 0.00 61.00 61.72 3bgr s PRO 133 Cb -0.18 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3bgr s PRO 133 CO 0.12 -2.12 -0.14 -1.54 0.04 0.00 0.00 177.00 173.36 3bgr s SER 134 N -3.82 4.12 0.31 6.66 1.04 -1.26 -4.88 113.70 115.87 3bgr s SER 134 Ca 0.63 -0.46 -0.29 0.00 0.48 0.00 0.00 55.95 56.31 3bgr s SER 134 Cb -0.16 -0.69 -0.12 0.00 0.10 0.00 0.00 66.02 65.15 3bgr s SER 134 CO 0.55 0.19 1.48 -0.38 0.98 0.00 0.00 173.24 176.06 3bgr n ILE 135 N 0.86 1.41 -1.01 -1.02 5.41 -1.26 -1.11 119.36 122.63 3bgr n ILE 135 Ca -0.15 -0.35 -0.06 0.00 1.00 0.00 0.00 62.75 63.19 3bgr n ILE 135 Cb 0.52 -1.80 -0.03 0.00 -0.71 0.00 0.00 39.64 37.63 3bgr n ILE 135 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3bgr n ASN 136 N 1.52 -4.25 -4.10 4.38 5.15 -1.26 -2.33 115.26 114.36 3bgr n ASN 136 Ca 0.07 0.15 -0.33 0.00 -0.60 0.00 0.00 54.58 53.87 3bgr n ASN 136 Cb 0.36 -3.09 -0.01 0.00 -0.53 0.00 0.00 39.78 36.51 3bgr n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3bgr n ASN 137 N -0.25 -3.37 -0.03 1.20 3.02 -0.27 -4.86 115.26 110.70 3bgr n ASN 137 Ca -0.06 -0.94 -0.09 0.00 -0.03 0.00 0.00 54.58 53.46 3bgr n ASN 137 Cb 0.42 -3.14 0.06 0.00 -0.61 0.00 0.00 39.78 36.50 3bgr n ASN 137 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3bgr h GLU 138 N -1.72 0.64 -6.52 3.52 5.08 -1.68 -3.44 114.58 110.47 3bgr h GLU 138 Ca -0.59 -0.36 -0.64 0.00 -1.00 0.00 0.00 59.36 56.77 3bgr h GLU 138 Cb 1.38 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.49 3bgr h GLU 138 CO 0.73 0.97 -0.77 0.95 -1.00 0.00 0.00 179.01 179.89 3bgr s THR 139 N -4.18 2.76 0.57 1.13 -4.23 -1.26 -5.11 115.64 105.33 3bgr s THR 139 Ca -0.08 -1.87 -0.19 0.00 -1.18 0.00 0.00 61.69 58.37 3bgr s THR 139 Cb 0.12 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.56 3bgr s THR 139 CO 0.84 -0.12 1.18 -2.84 -0.54 0.00 0.00 174.62 173.14 3bgr s PRO 140 N -2.78 3.14 0.56 3.99 0.02 -1.26 -4.51 135.00 134.15 3bgr s PRO 140 Ca 0.23 1.76 -0.20 0.00 0.02 0.00 0.00 61.00 62.81 3bgr s PRO 140 Cb -0.08 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 3bgr s PRO 140 CO 0.13 -1.06 1.24 0.20 -0.33 0.00 0.00 177.00 177.18 3bgr s GLY 141 N -1.63 2.79 -0.23 0.52 0.00 -1.26 -4.82 107.32 102.69 3bgr s GLY 141 Ca 0.75 1.09 -0.29 0.00 0.00 0.00 0.00 44.72 46.27 3bgr s GLY 141 CO 0.31 1.52 1.14 -0.42 0.00 0.00 0.00 173.10 175.66 3bgr s ILE 142 N -1.50 4.48 -0.15 0.90 1.01 -0.43 -4.85 121.20 120.66 3bgr s ILE 142 Ca 0.74 1.77 -0.08 0.00 0.00 0.00 0.00 60.65 63.08 3bgr s ILE 142 Cb -0.33 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 3bgr s ILE 142 CO 0.37 -0.23 0.11 -0.13 0.00 0.00 0.00 174.94 175.06 3bgr s ARG 143 N 3.45 3.72 0.17 2.79 0.52 -1.26 -1.20 118.95 127.14 3bgr s ARG 143 Ca 0.49 -0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.47 3bgr s ARG 143 Cb -0.17 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 3bgr s ARG 143 CO 0.12 0.55 0.10 0.71 0.02 0.00 0.00 175.30 176.79 3bgr s TYR 144 N -0.37 1.03 0.06 -0.53 1.51 -0.74 -2.39 117.35 115.92 3bgr s TYR 144 Ca 0.11 -1.32 -0.05 0.00 -1.01 0.00 0.00 57.07 54.80 3bgr s TYR 144 Cb -0.12 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.19 3bgr s TYR 144 CO 0.01 -0.59 0.08 1.14 -1.11 0.00 0.00 175.55 175.08 3bgr s GLN 145 N -4.11 0.68 0.30 -0.62 -2.07 -0.74 -1.37 119.66 111.73 3bgr s GLN 145 Ca 0.33 -0.99 -0.14 0.00 -1.82 0.00 0.00 55.36 52.73 3bgr s GLN 145 Cb 0.07 0.26 -0.09 0.00 -1.09 0.00 0.00 33.01 32.17 3bgr s GLN 145 CO 0.08 -0.18 0.70 0.71 -1.32 0.00 0.00 175.29 175.28 3bgr s TYR 146 N -3.52 3.40 -0.29 9.60 1.51 -1.26 -1.45 117.35 125.34 3bgr s TYR 146 Ca 0.03 1.16 0.09 0.00 -1.01 0.00 0.00 57.07 57.33 3bgr s TYR 146 Cb 0.04 -2.48 -0.11 0.00 -0.11 0.00 0.00 41.96 39.30 3bgr s TYR 146 CO -0.09 0.14 0.32 0.09 -1.11 0.00 0.00 175.55 174.90 3bgr n ASN 147 N -0.26 1.18 -4.20 2.29 3.02 0.14 -4.69 115.26 112.74 3bgr n ASN 147 Ca 0.03 -0.49 -0.22 0.00 -0.03 0.00 0.00 54.58 53.87 3bgr n ASN 147 Cb 0.53 1.13 -0.09 0.00 -0.61 0.00 0.00 39.78 40.73 3bgr n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3bgr s VAL 148 N -2.07 0.68 0.14 2.41 -7.23 -1.24 -0.58 120.40 112.51 3bgr s VAL 148 Ca 0.01 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.87 3bgr s VAL 148 Cb 0.06 -2.54 -0.11 0.00 0.56 0.00 0.00 36.38 34.36 3bgr s VAL 148 CO 0.37 0.00 1.82 -0.76 -0.31 0.00 0.00 175.10 176.21 3bgr s LEU 149 N -3.48 4.40 0.33 1.32 1.43 -0.63 -4.58 118.68 117.46 3bgr s LEU 149 Ca 0.32 2.80 -0.19 0.00 -1.03 0.00 0.00 54.13 56.02 3bgr s LEU 149 Cb 0.05 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.61 3bgr s LEU 149 CO 0.15 -1.00 0.82 -2.84 0.23 0.00 0.00 176.35 173.71 3bgr s PRO 150 N 2.42 4.20 0.32 1.29 0.02 -1.26 -4.11 135.00 137.88 3bgr s PRO 150 Ca 0.80 0.93 -0.28 0.00 0.02 0.00 0.00 61.00 62.47 3bgr s PRO 150 Cb -0.47 -2.50 -0.10 0.00 0.02 0.00 0.00 34.50 31.45 3bgr s PRO 150 CO 0.36 0.17 1.17 -0.65 -0.33 0.00 0.00 177.00 177.72 3bgr s GLN 151 N -2.70 4.42 0.00 5.54 -0.21 -1.26 -3.03 119.66 122.42 3bgr s GLN 151 Ca 0.53 1.93 0.00 0.00 0.02 0.00 0.00 55.36 57.84 3bgr s GLN 151 Cb -0.12 -3.02 0.00 0.00 1.00 0.00 0.00 33.01 30.86 3bgr s GLN 151 CO 0.18 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.73 3bgr n GLY 152 N 0.93 1.54 3.78 3.09 0.00 -1.26 -4.65 105.19 108.61 3bgr n GLY 152 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3bgr n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3bgr s TRP 153 N -2.39 3.85 0.20 1.61 -0.00 -1.17 -4.67 118.94 116.36 3bgr s TRP 153 Ca 0.00 1.51 -0.11 0.00 -0.00 0.00 0.00 56.10 57.50 3bgr s TRP 153 Cb 0.00 -2.71 0.22 0.00 -0.00 0.00 0.00 33.47 30.98 3bgr s TRP 153 CO 0.00 0.49 1.75 -0.22 -0.00 0.00 0.00 176.95 178.97 3bgr h LYS 154 N 4.63 0.39 0.00 5.86 3.64 -1.91 -2.14 116.57 127.05 3bgr h LYS 154 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3bgr h LYS 154 Cb 1.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3bgr h LYS 154 CO 0.66 0.26 0.00 0.41 -2.27 0.00 0.00 179.45 178.51 3bgr n GLY 155 N -1.28 -0.96 0.07 5.01 0.00 -1.26 -3.65 105.19 103.12 3bgr n GLY 155 Ca 0.07 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3bgr n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3bgr h SER 156 N 0.00 -0.05 -0.50 1.61 0.02 -1.67 -0.40 113.55 112.56 3bgr h SER 156 Ca 0.00 -0.37 -0.11 0.00 -0.84 0.00 0.00 61.79 60.47 3bgr h SER 156 Cb 0.22 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3bgr h SER 156 CO 0.00 0.35 -0.11 1.55 -1.14 0.00 0.00 176.83 177.48 3bgr h PRO 157 N -0.46 0.98 0.15 3.45 0.13 -1.74 -0.80 132.00 133.72 3bgr h PRO 157 Ca -0.01 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3bgr h PRO 157 Cb 0.42 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 3bgr h PRO 157 CO 0.01 1.03 -0.14 0.00 -0.23 0.00 0.00 178.00 178.66 3bgr h ALA 158 N 0.99 -0.29 -0.15 -0.56 0.00 -1.65 0.29 119.26 117.90 3bgr h ALA 158 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3bgr h ALA 158 Cb 0.66 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3bgr h ALA 158 CO 0.05 -0.68 -0.38 0.82 0.00 0.00 0.00 179.25 179.05 3bgr h ILE 159 N -0.32 1.30 -0.01 0.00 2.04 -1.01 -2.79 117.51 116.72 3bgr h ILE 159 Ca 0.00 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.39 3bgr h ILE 159 Cb 0.30 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3bgr h ILE 159 CO -0.04 0.45 -0.20 0.33 0.00 0.00 0.00 178.15 178.69 3bgr n PHE 160 N -4.05 0.00 -0.01 1.37 7.35 -0.31 -4.28 117.46 117.53 3bgr n PHE 160 Ca -0.01 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.57 3bgr n PHE 160 Cb 0.47 -0.14 -0.04 0.00 0.35 0.00 0.00 39.48 40.12 3bgr n PHE 160 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3bgr h GLN 161 N 1.04 -0.36 -0.95 -4.13 4.15 -0.13 0.21 115.11 114.93 3bgr h GLN 161 Ca 0.00 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.62 3bgr h GLN 161 Cb 0.46 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 28.15 3bgr h GLN 161 CO 0.00 -0.24 0.60 0.66 -1.93 0.00 0.00 178.83 177.92 3bgr h SER 162 N -0.38 0.68 -0.04 -0.69 4.64 -1.77 0.25 113.55 116.24 3bgr h SER 162 Ca 0.10 0.06 -0.22 0.00 -0.47 0.00 0.00 61.79 61.27 3bgr h SER 162 Cb 0.54 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3bgr h SER 162 CO -0.37 0.29 -0.79 0.28 -0.87 0.00 0.00 176.83 175.38 3bgr h SER 163 N 0.69 0.83 -0.35 4.97 0.02 -1.41 -3.31 113.55 115.00 3bgr h SER 163 Ca 0.51 -0.56 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3bgr h SER 163 Cb 0.87 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3bgr h SER 163 CO -0.27 1.34 -0.04 -0.03 -1.14 0.00 0.00 176.83 176.70 3bgr h MET 164 N 0.47 0.64 -0.69 3.45 -1.53 0.89 -2.95 114.93 115.21 3bgr h MET 164 Ca -0.05 -0.22 0.08 0.00 -3.44 0.00 0.00 59.70 56.07 3bgr h MET 164 Cb 1.41 -0.05 -0.07 0.00 -0.55 0.00 0.00 31.60 32.34 3bgr h MET 164 CO 0.16 0.78 0.36 1.79 0.14 0.00 0.00 176.91 180.13 3bgr h THR 165 N 0.44 0.89 0.00 -0.77 1.35 -1.11 -1.72 112.91 111.98 3bgr h THR 165 Ca 0.09 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3bgr h THR 165 Cb 0.51 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 3bgr h THR 165 CO 0.02 0.11 0.00 0.07 -0.25 0.00 0.00 175.52 175.48 3bgr h LYS 166 N 0.62 0.00 0.00 4.72 2.10 -1.64 -2.83 116.57 119.54 3bgr h LYS 166 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 3bgr h LYS 166 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3bgr h LYS 166 CO -0.24 0.00 -0.07 -0.89 -2.00 0.00 0.00 179.45 176.25 3bgr n ILE 167 N -2.69 0.08 0.13 0.07 5.41 -0.67 -3.80 119.36 117.89 3bgr n ILE 167 Ca 0.04 -0.04 0.01 0.00 1.00 0.00 0.00 62.75 63.76 3bgr n ILE 167 Cb 0.42 -0.41 -0.01 0.00 -0.71 0.00 0.00 39.64 38.93 3bgr n ILE 167 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3bgr n LEU 168 N -1.61 0.51 -0.19 1.39 4.77 -1.06 -4.75 117.00 116.06 3bgr n LEU 168 Ca 0.07 -0.67 -0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3bgr n LEU 168 Cb 0.35 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.53 3bgr n LEU 168 CO 0.29 0.12 0.84 -0.33 -1.33 0.00 0.00 177.39 176.97 3bgr h GLU 169 N 0.21 0.12 -0.95 3.23 4.39 -1.60 0.21 114.58 120.18 3bgr h GLU 169 Ca 0.00 -0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.86 3bgr h GLU 169 Cb 0.09 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 28.61 3bgr h GLU 169 CO 0.00 0.08 0.55 -1.35 -1.16 0.00 0.00 179.01 177.13 3bgr h PRO 170 N 0.12 0.72 0.02 2.33 0.11 -1.85 0.12 132.00 133.58 3bgr h PRO 170 Ca 0.30 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.37 3bgr h PRO 170 Cb 0.48 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3bgr h PRO 170 CO -0.49 0.48 -0.01 0.35 -0.21 0.00 0.00 178.00 178.11 3bgr h PHE 171 N 0.74 -0.03 -0.84 0.65 3.57 -1.36 -0.99 116.94 118.68 3bgr h PHE 171 Ca 0.53 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.09 3bgr h PHE 171 Cb 0.76 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 3bgr h PHE 171 CO -0.04 0.62 0.55 0.87 -2.23 0.00 0.00 178.31 178.08 3bgr h LYS 172 N -0.72 0.89 0.03 1.11 1.57 -0.27 1.01 116.57 120.18 3bgr h LYS 172 Ca -0.00 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 3bgr h LYS 172 Cb 0.66 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.78 3bgr h LYS 172 CO 0.01 0.59 -1.04 0.87 -0.57 0.00 0.00 179.45 179.31 3bgr h LYS 173 N 0.91 0.50 -0.02 3.15 1.57 -0.83 -2.90 116.57 118.95 3bgr h LYS 173 Ca 0.36 -0.57 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 3bgr h LYS 173 Cb 0.24 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3bgr h LYS 173 CO -0.13 1.21 -0.48 0.37 -0.57 0.00 0.00 179.45 179.84 3bgr h GLN 174 N 0.26 0.05 -2.73 3.15 5.75 -0.15 -3.36 115.11 118.08 3bgr h GLN 174 Ca -0.11 -0.03 -0.60 0.00 -0.15 0.00 0.00 58.65 57.76 3bgr h GLN 174 Cb 1.69 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.84 3bgr h GLN 174 CO 0.19 0.53 -0.80 -0.80 -2.65 0.00 0.00 178.83 175.29 3bgr s ASN 175 N -6.89 3.00 0.51 -0.69 0.01 0.34 -4.99 114.94 106.22 3bgr s ASN 175 Ca -0.03 -3.05 0.28 0.00 -0.71 0.00 0.00 52.86 49.36 3bgr s ASN 175 Cb 0.13 -0.88 1.37 0.00 0.41 0.00 0.00 41.25 42.29 3bgr s ASN 175 CO 0.75 -0.19 2.02 1.55 -1.51 0.00 0.00 177.10 179.72 3bgr h PRO 176 N 6.02 0.00 0.00 -0.60 0.13 -1.68 -3.20 132.00 132.67 3bgr h PRO 176 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3bgr h PRO 176 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3bgr h PRO 176 CO 0.47 0.13 -1.02 -0.25 -0.23 0.00 0.00 178.00 177.10 3bgr n ASP 177 N -3.49 0.76 -4.71 1.44 8.00 -1.26 -4.88 116.55 112.41 3bgr n ASP 177 Ca -0.01 0.24 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 3bgr n ASP 177 Cb 0.28 0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.89 3bgr n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bgr s ILE 178 N -3.34 3.70 -0.19 0.53 1.01 -1.21 -4.84 121.20 116.87 3bgr s ILE 178 Ca 0.00 1.20 -0.13 0.00 0.00 0.00 0.00 60.65 61.72 3bgr s ILE 178 Cb 0.11 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 3bgr s ILE 178 CO 0.79 0.08 0.27 -0.69 0.00 0.00 0.00 174.94 175.38 3bgr s VAL 179 N 1.32 5.31 -0.14 2.92 1.01 0.24 -4.94 120.40 126.14 3bgr s VAL 179 Ca 0.62 0.46 0.02 0.00 0.00 0.00 0.00 61.98 63.08 3bgr s VAL 179 Cb -0.32 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3bgr s VAL 179 CO 0.29 0.37 -0.18 -0.63 0.00 0.00 0.00 175.10 174.95 3bgr s ILE 180 N 0.69 1.75 0.05 2.22 1.01 -1.26 0.69 121.20 126.34 3bgr s ILE 180 Ca 0.14 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 60.08 3bgr s ILE 180 Cb -0.13 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 3bgr s ILE 180 CO 0.04 0.49 -0.17 -0.47 0.00 0.00 0.00 174.94 174.83 3bgr s TYR 181 N 1.09 1.47 -0.13 3.97 5.04 0.73 -4.96 117.35 124.57 3bgr s TYR 181 Ca -0.03 -0.37 0.03 0.00 -2.44 0.00 0.00 57.07 54.26 3bgr s TYR 181 Cb -0.14 -0.87 0.00 0.00 0.35 0.00 0.00 41.96 41.31 3bgr s TYR 181 CO -0.05 0.07 -0.22 -1.14 -1.34 0.00 0.00 175.55 172.87 3bgr s GLN 182 N -1.24 3.05 -0.11 4.97 0.74 -1.26 0.22 119.66 126.04 3bgr s GLN 182 Ca 0.04 -0.85 -0.02 0.00 0.05 0.00 0.00 55.36 54.58 3bgr s GLN 182 Cb -0.08 -2.40 0.04 0.00 1.10 0.00 0.00 33.01 31.66 3bgr s GLN 182 CO 0.02 0.07 0.00 -0.47 -0.55 0.00 0.00 175.29 174.36 3bgr s TYR 183 N 0.62 0.82 0.00 1.67 5.04 0.18 -5.00 117.35 120.68 3bgr s TYR 183 Ca -0.12 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.12 3bgr s TYR 183 Cb -0.16 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.25 3bgr s TYR 183 CO 0.03 -0.42 0.00 -1.33 -1.34 0.00 0.00 175.55 172.49 3bgr n MET 184 N 5.11 0.00 -0.37 4.97 2.81 -1.26 -0.42 117.12 127.95 3bgr n MET 184 Ca -0.08 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.87 3bgr n MET 184 Cb 0.49 0.00 0.21 0.00 -0.71 0.00 0.00 33.22 33.22 3bgr n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3bgr n ASP 185 N 5.64 3.05 -4.46 7.83 8.00 -1.26 -4.66 116.55 130.69 3bgr n ASP 185 Ca 0.00 -2.27 -0.31 0.00 0.71 0.00 0.00 54.79 52.92 3bgr n ASP 185 Cb 0.00 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.52 3bgr n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3bgr s ASP 186 N -0.72 3.82 -0.16 -2.24 1.01 0.44 -1.46 116.67 117.35 3bgr s ASP 186 Ca 0.30 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 53.17 3bgr s ASP 186 Cb 0.20 -0.64 0.00 0.00 1.01 0.00 0.00 42.92 43.49 3bgr s ASP 186 CO 0.14 0.27 -0.16 -0.22 0.21 0.00 0.00 175.17 175.41 3bgr s LEU 187 N -1.35 2.42 -0.32 1.23 2.96 0.22 -0.64 118.68 123.20 3bgr s LEU 187 Ca 0.14 -0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 3bgr s LEU 187 Cb -0.10 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 3bgr s LEU 187 CO 0.05 0.06 0.19 -0.31 -1.32 0.00 0.00 176.35 175.01 3bgr s TYR 188 N 0.97 3.20 -0.35 5.38 1.51 0.60 -0.49 117.35 128.17 3bgr s TYR 188 Ca -0.02 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.63 3bgr s TYR 188 Cb -0.15 -2.40 0.06 0.00 -0.11 0.00 0.00 41.96 39.36 3bgr s TYR 188 CO -0.03 -0.39 0.11 0.08 -1.11 0.00 0.00 175.55 174.22 3bgr s VAL 189 N 1.67 3.55 -0.09 0.71 1.01 0.66 -0.19 120.40 127.73 3bgr s VAL 189 Ca 0.05 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.69 3bgr s VAL 189 Cb -0.17 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 3bgr s VAL 189 CO 0.08 -0.28 -0.17 -0.83 0.00 0.00 0.00 175.10 173.91 3bgr s GLY 190 N 1.52 1.47 0.16 4.51 0.00 0.22 -1.45 107.32 113.74 3bgr s GLY 190 Ca -0.01 -0.95 -0.14 0.00 0.00 0.00 0.00 44.72 43.62 3bgr s GLY 190 CO 0.01 -0.46 0.40 -1.35 0.00 0.00 0.00 173.10 171.69 3bgr s SER 191 N -0.07 -0.15 0.00 1.64 1.04 -0.99 0.83 113.70 116.01 3bgr s SER 191 Ca -0.04 -0.55 0.27 0.00 0.48 0.00 0.00 55.95 56.11 3bgr s SER 191 Cb -0.14 0.49 0.83 0.00 0.10 0.00 0.00 66.02 67.31 3bgr s SER 191 CO 0.04 -0.93 1.61 0.47 0.98 0.00 0.00 173.24 175.41 3bgr n ASP 192 N -0.25 1.13 -4.71 7.02 8.00 -1.26 -2.91 116.55 123.57 3bgr n ASP 192 Ca -0.11 -1.03 -0.42 0.00 0.71 0.00 0.00 54.79 53.94 3bgr n ASP 192 Cb 0.63 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 3bgr n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bgr s LEU 193 N -2.38 4.36 0.57 0.64 1.43 -1.26 -4.91 118.68 117.13 3bgr s LEU 193 Ca 0.28 2.38 -0.20 0.00 -1.03 0.00 0.00 54.13 55.55 3bgr s LEU 193 Cb 0.20 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 3bgr s LEU 193 CO 0.47 -0.72 1.22 -0.62 0.23 0.00 0.00 176.35 176.93 3bgr n GLU 194 N 4.28 1.35 -0.11 1.70 1.02 -1.26 -4.21 120.64 123.41 3bgr n GLU 194 Ca 0.13 0.51 0.01 0.00 -0.02 0.00 0.00 57.16 57.78 3bgr n GLU 194 Cb 0.41 -2.42 0.03 0.00 -0.02 0.00 0.00 31.44 29.45 3bgr n GLU 194 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3bgr n ILE 195 N -1.34 -0.13 -0.06 -3.67 3.06 -1.26 -2.12 119.36 113.83 3bgr n ILE 195 Ca 0.12 0.67 -0.02 0.00 -2.50 0.00 0.00 62.75 61.03 3bgr n ILE 195 Cb 0.45 -0.92 -0.01 0.00 0.54 0.00 0.00 39.64 39.70 3bgr n ILE 195 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3bgr n GLY 196 N -1.17 -1.85 0.31 4.50 0.00 -1.26 0.17 105.19 105.89 3bgr n GLY 196 Ca 0.04 0.45 0.11 0.00 0.00 0.00 0.00 46.02 46.62 3bgr n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bgr n GLN 197 N -3.14 0.79 -0.07 1.61 10.64 -0.90 -2.76 117.38 123.56 3bgr n GLN 197 Ca 0.00 -0.63 -0.15 0.00 -1.83 0.00 0.00 57.00 54.39 3bgr n GLN 197 Cb 0.04 -1.49 -0.05 0.00 -0.86 0.00 0.00 30.24 27.88 3bgr n GLN 197 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 3bgr h HIS 198 N 1.53 1.04 -0.36 2.61 2.76 -0.71 1.34 115.15 123.35 3bgr h HIS 198 Ca 0.00 -0.39 -0.04 0.00 -2.20 0.00 0.00 60.37 57.74 3bgr h HIS 198 Cb 0.65 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 3bgr h HIS 198 CO 0.00 1.20 0.07 0.00 -1.30 0.00 0.00 177.93 177.90 3bgr h ARG 199 N 0.57 0.60 -0.07 5.26 3.08 0.16 -1.87 114.38 122.11 3bgr h ARG 199 Ca 0.00 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 3bgr h ARG 199 Cb 1.16 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3bgr h ARG 199 CO 0.12 0.66 -0.50 1.79 -1.07 0.00 0.00 179.97 180.97 3bgr h THR 200 N 0.44 1.35 -0.07 2.04 1.35 -1.30 0.49 112.91 117.21 3bgr h THR 200 Ca 0.11 -1.73 -0.08 0.00 -0.55 0.00 0.00 66.41 64.16 3bgr h THR 200 Cb 0.34 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 3bgr h THR 200 CO 0.01 0.51 -0.33 0.11 -0.25 0.00 0.00 175.52 175.57 3bgr h LYS 201 N 0.14 0.13 0.13 4.72 1.79 0.20 2.04 116.57 125.72 3bgr h LYS 201 Ca 0.00 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3bgr h LYS 201 Cb 0.93 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3bgr h LYS 201 CO 0.07 0.45 -0.06 0.82 -1.08 0.00 0.00 179.45 179.65 3bgr h ILE 202 N 0.12 0.83 -0.87 1.86 1.08 -0.81 0.56 117.51 120.28 3bgr h ILE 202 Ca 0.01 -1.25 0.18 0.00 -0.39 0.00 0.00 64.86 63.42 3bgr h ILE 202 Cb 0.64 1.44 -0.06 0.00 -3.07 0.00 0.00 36.82 35.76 3bgr h ILE 202 CO 0.05 0.23 0.57 -0.08 -0.69 0.00 0.00 178.15 178.23 3bgr h GLU 203 N -0.91 0.44 -0.18 2.37 4.57 0.28 2.78 114.58 123.93 3bgr h GLU 203 Ca -0.02 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3bgr h GLU 203 Cb 0.52 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3bgr h GLU 203 CO 0.03 0.29 -0.17 1.49 -1.18 0.00 0.00 179.01 179.47 3bgr h GLU 204 N 0.45 0.43 -0.44 1.92 4.81 0.34 -1.27 114.58 120.81 3bgr h GLU 204 Ca 0.45 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3bgr h GLU 204 Cb 1.04 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3bgr h GLU 204 CO -0.17 0.79 0.12 1.25 -0.73 0.00 0.00 179.01 180.26 3bgr h LEU 205 N 0.08 0.60 0.51 1.64 5.85 0.64 0.40 115.31 125.03 3bgr h LEU 205 Ca 0.03 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3bgr h LEU 205 Cb 0.71 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.59 3bgr h LEU 205 CO 0.04 0.59 -0.25 0.03 -0.34 0.00 0.00 178.44 178.52 3bgr h ARG 206 N 0.64 -0.66 -0.12 1.25 3.08 0.46 0.15 114.38 119.17 3bgr h ARG 206 Ca 0.15 0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.29 3bgr h ARG 206 Cb 0.22 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 3bgr h ARG 206 CO -0.00 -0.36 -0.21 1.96 -1.07 0.00 0.00 179.97 180.28 3bgr h GLN 207 N -0.91 -0.26 -1.00 0.04 1.08 -1.00 1.39 115.11 114.44 3bgr h GLN 207 Ca -0.07 0.02 0.23 0.00 -1.45 0.00 0.00 58.65 57.38 3bgr h GLN 207 Cb 0.61 0.06 -0.12 0.00 -0.05 0.00 0.00 27.48 27.97 3bgr h GLN 207 CO 0.12 -0.18 0.60 1.25 -0.95 0.00 0.00 178.83 179.67 3bgr h HIS 208 N -0.27 1.03 0.06 2.96 2.76 -0.13 0.69 115.15 122.25 3bgr h HIS 208 Ca 0.10 0.04 -0.23 0.00 -2.20 0.00 0.00 60.37 58.07 3bgr h HIS 208 Cb 0.42 -0.30 0.02 0.00 1.55 0.00 0.00 27.41 29.10 3bgr h HIS 208 CO -0.31 0.10 -0.94 -0.07 -1.30 0.00 0.00 177.93 175.41 3bgr h LEU 209 N 0.62 0.72 -1.82 0.26 3.38 0.15 -1.57 115.31 117.05 3bgr h LEU 209 Ca 0.63 -0.80 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3bgr h LEU 209 Cb 1.15 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3bgr h LEU 209 CO -0.45 1.44 -0.09 0.25 0.09 0.00 0.00 178.44 179.68 3bgr h LEU 210 N 0.09 0.01 0.18 1.67 6.46 0.41 -2.64 115.31 121.49 3bgr h LEU 210 Ca -0.13 -0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.33 3bgr h LEU 210 Cb 1.64 -0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.59 3bgr h LEU 210 CO 0.18 0.09 -1.37 -0.09 -0.62 0.00 0.00 178.44 176.63 3bgr h ARG 211 N 0.01 0.39 -2.05 1.25 2.43 0.26 -3.35 114.38 113.31 3bgr h ARG 211 Ca 0.00 -0.66 -0.03 0.00 -0.81 0.00 0.00 59.98 58.48 3bgr h ARG 211 Cb 0.16 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3bgr h ARG 211 CO 0.01 1.32 -0.03 0.91 -1.51 0.00 0.00 179.97 180.67 3bgr n TRP 212 N -3.83 0.00 0.00 2.20 7.02 -0.59 -4.77 117.44 117.46 3bgr n TRP 212 Ca -0.20 -0.79 0.00 0.00 -1.02 0.00 0.00 57.50 55.49 3bgr n TRP 212 Cb 0.99 -0.59 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 3bgr n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3bgr n GLY 213 N 1.82 1.38 3.34 6.99 0.00 -1.24 -4.98 105.19 112.50 3bgr n GLY 213 Ca 0.06 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 3bgr n GLY 213 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3bgr s LEU 214 N 0.00 -0.94 -0.92 0.99 2.34 -1.07 -4.81 118.68 114.26 3bgr s LEU 214 Ca 0.00 0.77 -0.25 0.00 0.06 0.00 0.00 54.13 54.71 3bgr s LEU 214 Cb 0.00 -2.21 -0.19 0.00 -0.56 0.00 0.00 46.19 43.23 3bgr s LEU 214 CO 0.00 -5.27 2.20 2.22 -1.06 0.00 0.00 176.35 174.44 3bgr n PHE 227 N -5.56 0.94 0.16 3.48 1.16 -1.26 -3.78 117.46 112.60 3bgr n PHE 227 Ca 0.13 -0.09 0.03 0.00 -1.87 0.00 0.00 57.45 55.65 3bgr n PHE 227 Cb 0.60 -2.47 0.22 0.00 -1.61 0.00 0.00 39.48 36.22 3bgr n PHE 227 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3bgr h LEU 228 N 21.79 0.00 -0.85 5.98 3.38 -2.03 -3.30 115.31 140.28 3bgr h LEU 228 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bgr h LEU 228 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3bgr h LEU 228 CO 1.02 0.50 0.65 4.11 0.09 0.00 0.00 178.44 184.80 3bgr h TRP 229 N 0.00 0.00 -3.71 1.13 5.08 -2.02 -3.43 115.95 113.01 3bgr h TRP 229 Ca -0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 3bgr h TRP 229 Cb 1.07 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.20 3bgr h TRP 229 CO 0.00 0.00 0.18 -1.64 -1.28 0.00 0.00 178.44 175.70 3bgr s MET 230 N -3.85 4.29 0.04 0.12 -1.94 -1.24 -5.08 119.30 111.62 3bgr s MET 230 Ca -0.01 0.96 0.02 0.00 -1.71 0.00 0.00 55.69 54.95 3bgr s MET 230 Cb 0.04 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 3bgr s MET 230 CO 0.12 0.30 -0.07 0.20 -0.01 0.00 0.00 175.02 175.55 3bgr s GLY 231 N -1.78 0.47 -0.22 -0.03 0.00 -1.26 -4.58 107.32 99.93 3bgr s GLY 231 Ca 0.48 -0.70 -0.04 0.00 0.00 0.00 0.00 44.72 44.46 3bgr s GLY 231 CO 0.20 -0.74 0.08 -0.47 0.00 0.00 0.00 173.10 172.17 3bgr s TYR 232 N -1.23 0.64 -0.09 1.90 5.04 -1.15 -4.93 117.35 117.53 3bgr s TYR 232 Ca -0.09 -0.75 -0.14 0.00 -2.44 0.00 0.00 57.07 53.65 3bgr s TYR 232 Cb -0.09 -0.95 -0.05 0.00 0.35 0.00 0.00 41.96 41.22 3bgr s TYR 232 CO 0.00 -0.65 0.33 -1.83 -1.34 0.00 0.00 175.55 172.07 3bgr s GLU 233 N 1.99 4.02 0.18 4.97 -1.05 -1.26 -0.30 118.70 127.25 3bgr s GLU 233 Ca 0.03 0.22 0.07 0.00 -0.15 0.00 0.00 54.97 55.15 3bgr s GLU 233 Cb -0.16 -3.32 -0.04 0.00 -0.44 0.00 0.00 34.13 30.16 3bgr s GLU 233 CO -0.16 0.48 -0.15 -0.51 0.95 0.00 0.00 175.26 175.86 3bgr s LEU 234 N -0.30 2.50 -0.59 1.83 1.43 0.16 -4.96 118.68 118.75 3bgr s LEU 234 Ca 0.20 -0.95 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 3bgr s LEU 234 Cb -0.14 -0.67 0.17 0.00 0.03 0.00 0.00 46.19 45.58 3bgr s LEU 234 CO 0.08 -0.15 0.45 1.41 0.23 0.00 0.00 176.35 178.38 3bgr n HIS 235 N -0.07 1.71 0.27 0.29 8.25 -1.26 -0.38 115.22 124.03 3bgr n HIS 235 Ca -0.10 -3.94 0.08 0.00 -0.26 0.00 0.00 57.72 53.50 3bgr n HIS 235 Cb 0.59 -0.30 0.36 0.00 1.12 0.00 0.00 29.99 31.76 3bgr n HIS 235 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3bgr n PRO 236 N 2.22 0.09 0.15 -0.41 -0.04 -1.26 -1.79 135.00 133.97 3bgr n PRO 236 Ca 0.24 0.45 0.03 0.00 -0.04 0.00 0.00 63.50 64.19 3bgr n PRO 236 Cb 0.40 -1.72 0.11 0.00 -0.04 0.00 0.00 33.50 32.25 3bgr n PRO 236 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3bgr h ASP 237 N 0.00 0.00 -1.97 3.54 3.04 -1.70 -3.31 116.42 116.02 3bgr h ASP 237 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 3bgr h ASP 237 Cb 0.16 0.00 -0.42 0.00 -1.04 0.00 0.00 39.33 38.04 3bgr h ASP 237 CO 0.00 0.47 -0.78 2.29 -2.04 0.00 0.00 179.24 179.18 3bgr n LYS 238 N -3.29 2.84 -3.29 4.15 2.85 -0.74 -5.08 118.16 115.61 3bgr n LYS 238 Ca 0.01 -4.46 -0.26 0.00 -1.05 0.00 0.00 58.31 52.55 3bgr n LYS 238 Cb 0.68 -2.10 -0.02 0.00 -0.65 0.00 0.00 35.03 32.94 3bgr n LYS 238 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 3bgr s TRP 239 N -3.33 3.50 -0.67 5.58 0.52 -1.22 -4.95 118.94 118.38 3bgr s TRP 239 Ca 0.46 0.50 -0.26 0.00 0.02 0.00 0.00 56.10 56.82 3bgr s TRP 239 Cb 0.33 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 3bgr s TRP 239 CO -0.13 0.10 1.70 -0.08 0.02 0.00 0.00 176.95 178.56 3bgr s THR 240 N -2.27 3.46 0.35 2.01 -1.32 -1.26 -5.00 115.64 111.61 3bgr s THR 240 Ca 0.42 0.21 0.07 0.00 -1.21 0.00 0.00 61.69 61.19 3bgr s THR 240 Cb -0.10 -4.22 -0.01 0.00 -1.51 0.00 0.00 72.50 66.65 3bgr s THR 240 CO 0.35 -1.18 0.42 0.68 -2.21 0.00 0.00 174.62 172.67 3bgr s VAL 241 N 8.17 3.71 -0.23 5.08 -7.23 -1.26 -4.15 120.40 124.50 3bgr s VAL 241 Ca 0.58 -1.14 -0.03 0.00 -1.81 0.00 0.00 61.98 59.58 3bgr s VAL 241 Cb -0.11 -3.27 0.10 0.00 0.56 0.00 0.00 36.38 33.66 3bgr s VAL 241 CO 0.18 -0.14 0.20 -1.10 -0.31 0.00 0.00 175.10 173.93 3bgr s GLN 242 N -4.13 0.20 0.48 4.82 -1.52 -1.25 -4.87 119.66 113.38 3bgr s GLN 242 Ca 0.45 -0.04 -0.04 0.00 -1.95 0.00 0.00 55.36 53.77 3bgr s GLN 242 Cb -0.08 -1.19 -0.03 0.00 -0.22 0.00 0.00 33.01 31.49 3bgr s GLN 242 CO 0.30 -0.80 0.77 -1.25 -0.25 0.00 0.00 175.29 174.06 3bgr s PRO 243 N 2.26 3.47 -0.08 2.91 0.04 -1.26 -4.92 135.00 137.42 3bgr s PRO 243 Ca 0.07 0.10 -0.21 0.00 0.04 0.00 0.00 61.00 61.00 3bgr s PRO 243 Cb -0.15 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 3bgr s PRO 243 CO -0.20 -0.21 0.61 0.42 0.04 0.00 0.00 177.00 177.66 3bgr s ILE 244 N -2.71 5.09 0.09 0.56 1.01 -1.26 -5.07 121.20 118.91 3bgr s ILE 244 Ca 0.47 1.26 0.08 0.00 0.00 0.00 0.00 60.65 62.46 3bgr s ILE 244 Cb -0.10 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3bgr s ILE 244 CO 0.44 0.29 -0.21 0.68 0.00 0.00 0.00 174.94 176.14 3bgr s VAL 245 N 0.67 1.74 0.22 2.92 -7.23 -1.26 -4.85 120.40 112.60 3bgr s VAL 245 Ca 0.33 -1.49 0.07 0.00 -1.81 0.00 0.00 61.98 59.08 3bgr s VAL 245 Cb -0.17 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 3bgr s VAL 245 CO 0.15 0.00 0.08 -0.76 -0.31 0.00 0.00 175.10 174.26 3bgr s LEU 246 N -1.77 3.51 0.72 1.32 1.43 -1.26 -5.11 118.68 117.52 3bgr s LEU 246 Ca 0.07 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 3bgr s LEU 246 Cb -0.10 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.08 3bgr s LEU 246 CO 0.04 0.02 1.18 -2.84 0.23 0.00 0.00 176.35 174.98 3bgr s PRO 247 N -3.44 2.25 -0.26 1.29 0.02 -1.26 -5.02 135.00 128.58 3bgr s PRO 247 Ca 0.31 1.65 0.01 0.00 0.02 0.00 0.00 61.00 62.99 3bgr s PRO 247 Cb -0.08 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.65 3bgr s PRO 247 CO 0.22 -1.73 -0.04 -1.21 -0.33 0.00 0.00 177.00 173.91 3bgr s GLU 248 N -4.00 1.67 0.12 5.54 2.02 -1.26 -5.12 118.70 117.67 3bgr s GLU 248 Ca 0.72 -1.17 0.04 0.00 0.02 0.00 0.00 54.97 54.58 3bgr s GLU 248 Cb -0.27 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 3bgr s GLU 248 CO 0.45 -0.66 -0.10 0.15 0.02 0.00 0.00 175.26 175.13 3bgr s LYS 249 N 1.29 0.94 0.10 1.61 1.02 -1.26 -5.04 119.74 118.40 3bgr s LYS 249 Ca -0.04 -1.32 0.22 0.00 0.02 0.00 0.00 55.97 54.85 3bgr s LYS 249 Cb -0.19 -0.52 -0.14 0.00 -0.52 0.00 0.00 37.83 36.46 3bgr s LYS 249 CO -0.07 0.06 0.79 -0.25 -0.92 0.00 0.00 175.35 174.96 3bgr n ASP 250 N 0.12 0.52 -3.70 2.83 8.00 -1.26 -4.85 116.55 118.21 3bgr n ASP 250 Ca -0.13 0.21 -0.17 0.00 0.71 0.00 0.00 54.79 55.41 3bgr n ASP 250 Cb 0.59 0.99 -0.16 0.00 -0.02 0.00 0.00 41.12 42.53 3bgr n ASP 250 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3bgr s SER 251 N -5.10 0.59 -0.20 -2.24 1.04 -1.26 -5.00 113.70 101.52 3bgr s SER 251 Ca -0.04 0.23 -0.08 0.00 0.48 0.00 0.00 55.95 56.54 3bgr s SER 251 Cb 0.11 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 3bgr s SER 251 CO 0.84 -0.21 0.07 0.26 0.98 0.00 0.00 173.24 175.18 3bgr s TRP 252 N 1.89 3.21 0.82 5.02 0.52 -1.25 -4.99 118.94 124.15 3bgr s TRP 252 Ca -0.00 -0.03 -0.10 0.00 0.02 0.00 0.00 56.10 55.99 3bgr s TRP 252 Cb -0.12 -2.14 0.13 0.00 -1.15 0.00 0.00 33.47 30.19 3bgr s TRP 252 CO -0.05 0.02 1.15 0.95 0.02 0.00 0.00 176.95 179.04 3bgr s THR 253 N 0.76 2.10 0.18 2.01 -4.23 -1.26 0.97 115.64 116.17 3bgr s THR 253 Ca 0.04 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.27 3bgr s THR 253 Cb -0.13 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.84 3bgr s THR 253 CO 0.02 0.00 1.62 0.58 -0.54 0.00 0.00 174.62 176.30 3bgr h VAL 254 N -1.05 1.27 -0.65 2.29 2.07 -0.75 -2.22 116.25 117.22 3bgr h VAL 254 Ca -0.43 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 3bgr h VAL 254 Cb 1.28 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3bgr h VAL 254 CO 0.50 0.43 0.35 -1.13 0.02 0.00 0.00 177.57 177.74 3bgr h ASN 255 N 0.96 0.81 -0.52 0.57 -0.00 -1.39 0.34 115.58 116.36 3bgr h ASN 255 Ca 0.16 -0.10 0.04 0.00 -0.00 0.00 0.00 56.30 56.40 3bgr h ASN 255 Cb 0.61 -0.21 -0.04 0.00 -0.00 0.00 0.00 38.32 38.68 3bgr h ASN 255 CO 0.04 0.68 0.26 0.44 -0.00 0.00 0.00 177.43 178.85 3bgr h ASP 256 N 0.88 0.38 -0.14 1.15 3.32 -1.77 -0.11 116.42 120.13 3bgr h ASP 256 Ca 0.23 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 3bgr h ASP 256 Cb 0.05 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3bgr h ASP 256 CO -0.04 0.26 -0.27 0.40 -1.72 0.00 0.00 179.24 177.88 3bgr h ILE 257 N 0.52 1.28 -0.57 0.35 2.04 -1.04 -0.85 117.51 119.22 3bgr h ILE 257 Ca 0.23 -1.36 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 3bgr h ILE 257 Cb 0.13 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3bgr h ILE 257 CO -0.16 0.44 0.03 1.56 0.00 0.00 0.00 178.15 180.02 3bgr h GLN 258 N 0.53 0.99 -0.57 2.37 4.20 -0.33 -1.20 115.11 121.10 3bgr h GLN 258 Ca 0.07 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.41 3bgr h GLN 258 Cb 0.74 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3bgr h GLN 258 CO 0.06 0.98 0.10 0.87 -0.67 0.00 0.00 178.83 180.16 3bgr h LYS 259 N 0.89 0.92 -0.30 1.46 1.57 -0.73 -1.61 116.57 118.76 3bgr h LYS 259 Ca 0.17 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3bgr h LYS 259 Cb 0.51 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3bgr h LYS 259 CO 0.02 0.85 0.09 1.25 -0.57 0.00 0.00 179.45 181.10 3bgr h LEU 260 N 0.87 0.44 -1.00 2.94 5.85 -0.74 -1.15 115.31 122.53 3bgr h LEU 260 Ca 0.18 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3bgr h LEU 260 Cb 0.38 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3bgr h LEU 260 CO 0.01 0.52 0.28 0.58 -0.34 0.00 0.00 178.44 179.49 3bgr h VAL 261 N 0.33 1.23 -0.46 1.05 2.07 -1.11 1.00 116.25 120.36 3bgr h VAL 261 Ca 0.10 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3bgr h VAL 261 Cb 0.24 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3bgr h VAL 261 CO -0.00 0.29 0.19 1.23 0.02 0.00 0.00 177.57 179.30 3bgr h GLY 262 N 1.06 0.72 1.13 2.17 0.00 -0.99 0.55 103.07 107.71 3bgr h GLY 262 Ca 0.23 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 3bgr h GLY 262 CO -0.02 0.36 -0.13 1.70 0.00 0.00 0.00 176.54 178.45 3bgr h LYS 263 N 0.59 1.01 -0.33 4.80 3.64 -0.72 -1.85 116.57 123.72 3bgr h LYS 263 Ca 0.15 -0.39 -0.14 0.00 -1.27 0.00 0.00 60.65 59.00 3bgr h LYS 263 Cb 0.17 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3bgr h LYS 263 CO -0.01 1.07 -0.38 -0.07 -2.27 0.00 0.00 179.45 177.79 3bgr h LEU 264 N 0.90 0.82 -1.12 5.20 3.38 -0.62 -0.49 115.31 123.38 3bgr h LEU 264 Ca 0.13 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3bgr h LEU 264 Cb 0.70 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3bgr h LEU 264 CO 0.05 1.10 0.53 -1.13 0.09 0.00 0.00 178.44 179.09 3bgr h ASN 265 N 0.64 0.99 0.04 -0.43 -1.24 -0.75 0.16 115.58 114.98 3bgr h ASN 265 Ca 0.06 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 3bgr h ASN 265 Cb 0.93 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.73 3bgr h ASN 265 CO 0.08 0.74 -0.02 -0.25 -1.29 0.00 0.00 177.43 176.70 3bgr h TRP 266 N 1.15 -0.05 0.00 0.67 7.01 -0.91 -2.93 115.95 120.90 3bgr h TRP 266 Ca 0.31 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.29 3bgr h TRP 266 Cb -0.09 0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 26.99 3bgr h TRP 266 CO 0.00 0.20 -0.09 0.00 -2.79 0.00 0.00 178.44 175.76 3bgr h ALA 267 N 0.67 1.57 0.00 2.65 0.00 -0.59 -1.85 119.26 121.70 3bgr h ALA 267 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3bgr h ALA 267 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3bgr h ALA 267 CO 0.01 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 3bgr n SER 268 N -4.02 0.43 0.11 0.00 3.41 0.51 0.32 113.62 114.39 3bgr n SER 268 Ca -0.02 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 3bgr n SER 268 Cb 0.18 -0.74 0.24 0.00 -0.26 0.00 0.00 64.21 63.63 3bgr n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3bgr h GLN 269 N 0.00 0.00 0.00 4.33 4.20 -1.43 -3.35 115.11 118.86 3bgr h GLN 269 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 3bgr h GLN 269 Cb 0.11 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.83 3bgr h GLN 269 CO 0.00 0.00 -2.30 -0.89 -0.67 0.00 0.00 178.83 174.97 3bgr n ILE 270 N -2.40 1.31 -4.03 2.54 5.41 0.11 -4.92 119.36 117.37 3bgr n ILE 270 Ca 0.04 -0.47 -0.34 0.00 1.00 0.00 0.00 62.75 62.99 3bgr n ILE 270 Cb 0.46 -1.40 -0.15 0.00 -0.71 0.00 0.00 39.64 37.84 3bgr n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3bgr s TYR 271 N -2.45 2.98 0.29 1.39 1.51 0.15 -4.73 117.35 116.49 3bgr s TYR 271 Ca -0.31 -1.65 -0.02 0.00 -1.01 0.00 0.00 57.07 54.08 3bgr s TYR 271 Cb 0.09 -1.99 0.43 0.00 -0.11 0.00 0.00 41.96 40.38 3bgr s TYR 271 CO 0.50 -0.77 1.93 -1.35 -1.11 0.00 0.00 175.55 174.76 3bgr h PRO 272 N 7.96 1.02 0.00 -1.71 0.11 -1.85 -3.22 132.00 134.31 3bgr h PRO 272 Ca -0.36 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3bgr h PRO 272 Cb 1.11 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3bgr h PRO 272 CO 0.58 0.73 0.00 0.41 -0.21 0.00 0.00 178.00 179.51 3bgr n GLY 273 N -1.25 -0.77 3.70 -0.55 0.00 -1.26 -4.87 105.19 100.20 3bgr n GLY 273 Ca 0.08 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3bgr n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bgr s ILE 274 N -2.00 2.88 0.01 -0.61 -1.09 -1.21 -4.95 121.20 114.22 3bgr s ILE 274 Ca 0.35 0.51 0.08 0.00 -2.23 0.00 0.00 60.65 59.36 3bgr s ILE 274 Cb 0.16 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 37.69 3bgr s ILE 274 CO 0.27 0.02 -0.23 -0.54 -1.23 0.00 0.00 174.94 173.23 3bgr s LYS 275 N 1.84 1.72 0.00 2.79 -0.14 -1.26 -4.92 119.74 119.77 3bgr s LYS 275 Ca 0.71 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 54.41 3bgr s LYS 275 Cb -0.41 -1.76 0.00 0.00 -1.68 0.00 0.00 37.83 33.98 3bgr s LYS 275 CO 0.31 0.47 0.06 1.33 -0.76 0.00 0.00 175.35 176.76 3bgr n VAL 276 N 2.18 0.00 -0.15 3.17 0.24 -1.26 -4.86 118.33 117.66 3bgr n VAL 276 Ca -0.16 -0.36 -0.11 0.00 -2.04 0.00 0.00 64.34 61.67 3bgr n VAL 276 Cb 0.52 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.88 3bgr n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3bgr h ARG 277 N 0.00 -0.32 -0.37 7.34 2.43 -1.98 0.42 114.38 121.89 3bgr h ARG 277 Ca 0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3bgr h ARG 277 Cb 0.02 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3bgr h ARG 277 CO 0.00 -0.22 0.25 1.96 -1.51 0.00 0.00 179.97 180.45 3bgr h GLN 278 N -0.34 0.36 0.25 0.20 1.08 -1.90 -1.38 115.11 113.37 3bgr h GLN 278 Ca 0.12 -0.02 -0.34 0.00 -1.45 0.00 0.00 58.65 56.96 3bgr h GLN 278 Cb 0.59 -0.08 0.04 0.00 -0.05 0.00 0.00 27.48 27.97 3bgr h GLN 278 CO -0.60 0.24 -1.50 -0.07 -0.95 0.00 0.00 178.83 175.94 3bgr h LEU 279 N 0.37 0.83 -1.30 1.46 3.38 -1.41 -3.26 115.31 115.37 3bgr h LEU 279 Ca 0.15 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3bgr h LEU 279 Cb 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3bgr h LEU 279 CO -0.03 1.72 0.00 0.77 0.09 0.00 0.00 178.44 180.98 3bgr h SER 280 N 0.13 0.00 -0.53 -0.43 4.64 -0.01 -2.40 113.55 114.95 3bgr h SER 280 Ca -0.26 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 3bgr h SER 280 Cb 2.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.22 3bgr h SER 280 CO 0.27 0.00 0.21 0.11 -0.87 0.00 0.00 176.83 176.55 3bgr h LYS 281 N 0.00 0.84 0.00 4.77 1.57 -1.30 0.25 116.57 122.70 3bgr h LYS 281 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3bgr h LYS 281 Cb 0.50 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3bgr h LYS 281 CO 0.00 0.71 0.00 -0.07 -0.57 0.00 0.00 179.45 179.52 3bgr h LEU 282 N 0.83 0.00 -3.94 2.94 3.38 -1.54 -0.30 115.31 116.68 3bgr h LEU 282 Ca 0.19 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.63 3bgr h LEU 282 Cb 0.20 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.65 3bgr h LEU 282 CO -0.01 0.00 0.68 0.18 0.09 0.00 0.00 178.44 179.37 3bgr n LEU 283 N -2.61 6.81 -4.44 1.67 4.77 0.88 -4.87 117.00 119.20 3bgr n LEU 283 Ca -0.02 -3.67 -0.43 0.00 -0.03 0.00 0.00 56.01 51.86 3bgr n LEU 283 Cb 0.07 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 3bgr n LEU 283 CO 0.15 1.11 0.62 0.00 -1.33 0.00 0.00 177.39 177.93 3bgr s ARG 284 N -3.29 3.13 0.00 3.23 1.70 -0.13 -4.87 118.95 118.72 3bgr s ARG 284 Ca 0.57 -0.88 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 3bgr s ARG 284 Cb 0.47 -4.20 0.00 0.00 -0.57 0.00 0.00 34.95 30.65 3bgr s ARG 284 CO 0.09 -1.63 0.00 0.41 -1.08 0.00 0.00 175.30 173.09 3bgr n GLY 285 N 5.27 4.00 3.38 3.88 0.00 -1.26 -4.98 105.19 115.49 3bgr n GLY 285 Ca -0.05 -1.65 -0.45 0.00 0.00 0.00 0.00 46.02 43.86 3bgr n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bgr s THR 286 N -2.27 5.17 0.19 2.61 -4.23 -1.26 -5.01 115.64 110.83 3bgr s THR 286 Ca 0.00 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.61 3bgr s THR 286 Cb 0.00 -4.60 -0.04 0.00 1.34 0.00 0.00 72.50 69.21 3bgr s THR 286 CO 0.00 -1.23 0.24 -0.54 -0.54 0.00 0.00 174.62 172.54 3bgr s LYS 287 N 1.47 3.18 0.27 3.99 1.02 -1.26 -5.06 119.74 123.34 3bgr s LYS 287 Ca 0.23 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 3bgr s LYS 287 Cb -0.10 -2.78 -0.13 0.00 -0.52 0.00 0.00 37.83 34.30 3bgr s LYS 287 CO -0.08 0.47 1.43 0.00 -0.92 0.00 0.00 175.35 176.26 3bgr n ALA 288 N -0.75 1.45 0.02 5.17 0.00 -1.26 -4.88 120.51 120.25 3bgr n ALA 288 Ca -0.08 0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.80 3bgr n ALA 288 Cb 0.55 -2.31 0.45 0.00 0.00 0.00 0.00 19.45 18.14 3bgr n ALA 288 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3bgr h LEU 289 N 4.10 0.43 -1.15 0.00 3.38 -1.97 -2.46 115.31 117.64 3bgr h LEU 289 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3bgr h LEU 289 Cb 1.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3bgr h LEU 289 CO 0.75 0.31 0.00 0.35 0.09 0.00 0.00 178.44 179.93 3bgr n THR 290 N -4.48 0.28 -2.61 0.22 -2.24 -1.26 -1.06 114.28 103.12 3bgr n THR 290 Ca 0.03 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 3bgr n THR 290 Cb 0.08 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 3bgr n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3bgr s GLU 291 N -1.72 4.60 0.14 -0.78 2.12 -0.93 -4.77 118.70 117.35 3bgr s GLU 291 Ca 0.30 1.58 -0.30 0.00 0.36 0.00 0.00 54.97 56.91 3bgr s GLU 291 Cb 0.16 -3.36 -0.07 0.00 0.26 0.00 0.00 34.13 31.13 3bgr s GLU 291 CO 0.24 0.05 1.13 0.08 -0.54 0.00 0.00 175.26 176.22 3bgr s VAL 292 N 0.26 3.94 -0.11 3.70 1.01 -1.26 -0.84 120.40 127.10 3bgr s VAL 292 Ca 0.50 1.57 0.03 0.00 0.00 0.00 0.00 61.98 64.08 3bgr s VAL 292 Cb -0.26 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.13 3bgr s VAL 292 CO 0.31 0.22 -0.21 -0.63 0.00 0.00 0.00 175.10 174.79 3bgr s ILE 293 N 0.19 1.91 0.23 2.22 -1.09 0.27 -4.92 121.20 120.01 3bgr s ILE 293 Ca 0.52 -0.92 -0.27 0.00 -2.23 0.00 0.00 60.65 57.75 3bgr s ILE 293 Cb -0.29 -1.68 -0.09 0.00 -1.58 0.00 0.00 42.46 38.82 3bgr s ILE 293 CO 0.33 0.52 0.87 -2.16 -1.23 0.00 0.00 174.94 173.28 3bgr s PRO 294 N 0.58 4.68 0.13 2.79 0.04 -1.26 -3.86 135.00 138.10 3bgr s PRO 294 Ca -0.14 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 3bgr s PRO 294 Cb -0.17 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.13 3bgr s PRO 294 CO 0.04 0.49 1.09 -0.51 0.04 0.00 0.00 177.00 178.15 3bgr s LEU 295 N -1.36 4.46 0.93 -3.56 1.43 -1.26 -5.04 118.68 114.28 3bgr s LEU 295 Ca 0.41 2.00 -0.14 0.00 -1.03 0.00 0.00 54.13 55.37 3bgr s LEU 295 Cb -0.23 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.55 3bgr s LEU 295 CO 0.28 -0.25 1.18 0.42 0.23 0.00 0.00 176.35 178.22 3bgr s THR 296 N 0.14 1.96 0.01 5.49 -4.23 -1.26 -4.85 115.64 112.89 3bgr s THR 296 Ca 0.51 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.77 3bgr s THR 296 Cb -0.28 -2.83 -0.18 0.00 1.34 0.00 0.00 72.50 70.55 3bgr s THR 296 CO 0.33 0.00 1.34 -0.33 -0.54 0.00 0.00 174.62 175.42 3bgr h GLU 297 N -1.55 -0.09 -0.60 3.99 4.39 -1.98 -1.32 114.58 117.42 3bgr h GLU 297 Ca -0.48 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.30 3bgr h GLU 297 Cb 1.31 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.92 3bgr h GLU 297 CO 0.55 0.27 0.30 0.93 -1.16 0.00 0.00 179.01 179.90 3bgr h GLU 298 N -0.46 0.53 -0.52 2.33 3.07 -1.95 -0.62 114.58 116.96 3bgr h GLU 298 Ca -0.01 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 3bgr h GLU 298 Cb 0.40 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3bgr h GLU 298 CO 0.01 0.35 0.06 0.00 -1.40 0.00 0.00 179.01 178.04 3bgr h ALA 299 N 1.35 0.69 0.00 3.43 0.00 -1.75 -1.08 119.26 121.90 3bgr h ALA 299 Ca 0.28 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3bgr h ALA 299 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3bgr h ALA 299 CO -0.21 0.45 -0.26 1.49 0.00 0.00 0.00 179.25 180.72 3bgr h GLU 300 N 0.75 0.00 0.13 0.00 4.81 -0.75 -0.62 114.58 118.90 3bgr h GLU 300 Ca 0.15 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.08 3bgr h GLU 300 Cb 0.44 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.85 3bgr h GLU 300 CO 0.01 0.26 -1.27 1.25 -0.73 0.00 0.00 179.01 178.53 3bgr h LEU 301 N 0.00 0.88 -0.87 1.64 5.85 -0.84 -2.35 115.31 119.63 3bgr h LEU 301 Ca -0.00 -0.82 -0.04 0.00 0.84 0.00 0.00 57.88 57.86 3bgr h LEU 301 Cb 0.58 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3bgr h LEU 301 CO 0.03 1.62 0.32 -0.08 -0.34 0.00 0.00 178.44 179.99 3bgr h GLU 302 N 0.27 1.15 -0.60 1.25 4.81 -0.81 0.35 114.58 120.99 3bgr h GLU 302 Ca -0.20 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 58.76 3bgr h GLU 302 Cb 1.94 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 31.11 3bgr h GLU 302 CO 0.24 0.92 0.08 1.25 -0.73 0.00 0.00 179.01 180.77 3bgr h LEU 303 N 1.12 0.93 -0.26 1.64 5.85 -1.12 0.32 115.31 123.80 3bgr h LEU 303 Ca 0.26 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3bgr h LEU 303 Cb 0.20 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3bgr h LEU 303 CO -0.02 0.95 -0.21 0.00 -0.34 0.00 0.00 178.44 178.81 3bgr h ALA 304 N 1.16 0.38 -0.23 1.25 0.00 -0.81 -0.55 119.26 120.46 3bgr h ALA 304 Ca 0.18 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3bgr h ALA 304 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3bgr h ALA 304 CO 0.01 0.32 -0.02 0.93 0.00 0.00 0.00 179.25 180.50 3bgr h GLU 305 N 0.32 0.34 -0.14 0.00 5.08 -0.08 -1.74 114.58 118.36 3bgr h GLU 305 Ca 0.05 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 3bgr h GLU 305 Cb 0.75 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.95 3bgr h GLU 305 CO 0.05 0.39 -0.76 -0.91 -1.00 0.00 0.00 179.01 176.78 3bgr h ASN 306 N 0.33 0.85 -0.42 1.42 2.35 -0.64 -2.57 115.58 116.90 3bgr h ASN 306 Ca 0.08 -0.55 0.02 0.00 -0.55 0.00 0.00 56.30 55.29 3bgr h ASN 306 Cb 0.26 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3bgr h ASN 306 CO 0.01 1.34 0.25 0.03 -1.65 0.00 0.00 177.43 177.41 3bgr h ARG 307 N 0.49 0.49 -0.27 0.81 3.08 -0.58 -1.26 114.38 117.14 3bgr h ARG 307 Ca -0.05 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3bgr h ARG 307 Cb 1.38 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 3bgr h ARG 307 CO 0.15 0.33 0.11 1.05 -1.07 0.00 0.00 179.97 180.54 3bgr h GLU 308 N 0.51 0.24 -0.94 0.04 4.11 -1.33 -2.22 114.58 114.99 3bgr h GLU 308 Ca 0.16 -0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.67 3bgr h GLU 308 Cb 0.00 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 3bgr h GLU 308 CO -0.07 0.16 0.59 0.82 0.07 0.00 0.00 179.01 180.57 3bgr h ILE 309 N 0.25 0.98 0.00 -1.06 2.04 -1.10 -1.11 117.51 117.51 3bgr h ILE 309 Ca 0.11 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3bgr h ILE 309 Cb 0.06 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 3bgr h ILE 309 CO -0.10 0.18 0.00 0.18 0.00 0.00 0.00 178.15 178.42 3bgr n LEU 310 N -4.61 0.06 0.12 1.44 4.77 -0.51 -2.64 117.00 115.63 3bgr n LEU 310 Ca 0.16 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.76 3bgr n LEU 310 Cb 0.27 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 3bgr n LEU 310 CO 0.29 -0.26 0.14 0.11 -1.33 0.00 0.00 177.39 176.34 3bgr h LYS 311 N 0.00 0.00 -7.36 3.23 1.57 -0.99 -3.41 116.57 109.61 3bgr h LYS 311 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3bgr h LYS 311 Cb 0.28 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.67 3bgr h LYS 311 CO 0.00 0.02 0.39 -1.21 -0.57 0.00 0.00 179.45 178.09 3bgr s GLU 312 N -3.31 3.17 0.72 3.15 2.02 -1.08 -5.03 118.70 118.34 3bgr s GLU 312 Ca 0.01 0.81 -0.11 0.00 0.02 0.00 0.00 54.97 55.69 3bgr s GLU 312 Cb 0.09 -2.03 0.02 0.00 0.10 0.00 0.00 34.13 32.31 3bgr s GLU 312 CO 0.77 -0.90 1.09 -1.25 0.02 0.00 0.00 175.26 174.99 3bgr s PRO 313 N -5.13 2.75 0.46 0.39 0.04 -1.26 -4.99 135.00 127.26 3bgr s PRO 313 Ca 0.57 0.59 -0.23 0.00 0.04 0.00 0.00 61.00 61.96 3bgr s PRO 313 Cb -0.13 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 3bgr s PRO 313 CO 0.54 -1.14 1.22 0.08 0.04 0.00 0.00 177.00 177.74 3bgr s VAL 314 N -3.26 2.87 0.20 -0.36 1.01 -1.26 -4.99 120.40 114.61 3bgr s VAL 314 Ca 0.58 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 63.09 3bgr s VAL 314 Cb -0.12 -3.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 3bgr s VAL 314 CO 0.53 0.02 0.62 -2.28 0.00 0.00 0.00 175.10 173.99 3bgr s HIS 315 N -1.45 3.57 -1.38 5.22 2.46 -1.26 -4.37 115.29 118.08 3bgr s HIS 315 Ca 0.63 1.15 -0.08 0.00 0.47 0.00 0.00 55.06 57.24 3bgr s HIS 315 Cb -0.32 -2.45 0.03 0.00 -0.13 0.00 0.00 32.58 29.71 3bgr s HIS 315 CO 0.39 0.34 1.03 0.41 -2.47 0.00 0.00 174.74 174.44 3bgr n GLY 316 N 0.51 -0.47 3.34 1.59 0.00 -1.26 -4.98 105.19 103.93 3bgr n GLY 316 Ca -0.03 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3bgr n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bgr s VAL 317 N -3.37 4.07 0.03 1.61 1.01 -1.26 -5.08 120.40 117.41 3bgr s VAL 317 Ca 0.43 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3bgr s VAL 317 Cb -0.20 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 3bgr s VAL 317 CO 0.77 -0.01 -0.05 -0.72 0.00 0.00 0.00 175.10 175.08 3bgr s TYR 318 N 1.50 0.44 0.29 5.22 -0.85 -1.26 -5.10 117.35 117.59 3bgr s TYR 318 Ca 0.02 -0.46 -0.19 0.00 -0.52 0.00 0.00 57.07 55.92 3bgr s TYR 318 Cb -0.18 -0.28 -0.09 0.00 0.38 0.00 0.00 41.96 41.79 3bgr s TYR 318 CO 0.03 -0.12 0.78 -0.47 -1.52 0.00 0.00 175.55 174.26 3bgr s TYR 319 N -1.26 3.52 -0.21 -3.49 5.04 -1.26 -5.02 117.35 114.67 3bgr s TYR 319 Ca -0.11 1.40 -0.03 0.00 -2.44 0.00 0.00 57.07 55.89 3bgr s TYR 319 Cb -0.09 -2.66 0.07 0.00 0.35 0.00 0.00 41.96 39.63 3bgr s TYR 319 CO -0.00 0.18 0.05 0.34 -1.34 0.00 0.00 175.55 174.79 3bgr s ASP 320 N -1.92 3.07 0.61 4.32 -1.08 -1.26 -5.02 116.67 115.39 3bgr s ASP 320 Ca 0.50 -0.95 0.29 0.00 -0.52 0.00 0.00 52.55 51.87 3bgr s ASP 320 Cb -0.14 -0.59 1.55 0.00 -1.46 0.00 0.00 42.92 42.28 3bgr s ASP 320 CO 0.19 -0.33 1.94 -0.65 0.52 0.00 0.00 175.17 176.84 3bgr h PRO 321 N 8.25 0.00 0.00 4.34 0.11 -1.99 -1.05 132.00 141.66 3bgr h PRO 321 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3bgr h PRO 321 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3bgr h PRO 321 CO 0.36 0.00 -0.01 -1.13 -0.21 0.00 0.00 178.00 177.01 3bgr n SER 322 N -3.54 0.22 -4.70 -2.05 3.41 -1.26 -4.85 113.62 100.85 3bgr n SER 322 Ca 0.05 0.51 -0.25 0.00 -0.26 0.00 0.00 58.87 58.91 3bgr n SER 322 Cb 0.53 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 3bgr n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3bgr s LYS 323 N -3.03 2.52 0.56 4.33 1.02 -0.40 -5.11 119.74 119.63 3bgr s LYS 323 Ca 0.13 -1.11 -0.17 0.00 0.02 0.00 0.00 55.97 54.84 3bgr s LYS 323 Cb 0.17 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 3bgr s LYS 323 CO 0.55 0.44 1.05 -0.51 -0.92 0.00 0.00 175.35 175.96 3bgr s ASP 324 N -3.17 5.99 -0.07 2.83 1.01 -1.26 -4.90 116.67 117.10 3bgr s ASP 324 Ca 0.29 1.82 -0.12 0.00 0.71 0.00 0.00 52.55 55.25 3bgr s ASP 324 Cb -0.09 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3bgr s ASP 324 CO 0.20 -1.03 0.29 -0.76 0.21 0.00 0.00 175.17 174.09 3bgr s LEU 325 N -4.23 4.41 -0.14 1.23 1.43 -1.26 -4.54 118.68 115.58 3bgr s LEU 325 Ca 0.64 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 54.48 3bgr s LEU 325 Cb -0.16 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.71 3bgr s LEU 325 CO 0.33 0.32 -0.22 -0.63 0.23 0.00 0.00 176.35 176.38 3bgr s ILE 326 N -0.82 2.04 -0.20 -0.59 1.01 0.12 0.10 121.20 122.86 3bgr s ILE 326 Ca 0.19 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 3bgr s ILE 326 Cb -0.14 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.52 3bgr s ILE 326 CO 0.08 0.55 -0.10 0.00 0.00 0.00 0.00 174.94 175.47 3bgr s ALA 327 N 0.82 2.64 -0.11 9.38 0.00 -0.29 -1.19 121.76 133.00 3bgr s ALA 327 Ca -0.07 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 3bgr s ALA 327 Cb -0.16 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 3bgr s ALA 327 CO -0.02 -0.33 0.04 -1.21 0.00 0.00 0.00 175.76 174.24 3bgr s GLU 328 N 1.30 3.22 -0.04 0.00 2.02 -0.23 -1.01 118.70 123.96 3bgr s GLU 328 Ca 0.04 -0.33 0.04 0.00 0.02 0.00 0.00 54.97 54.74 3bgr s GLU 328 Cb -0.14 -2.94 -0.00 0.00 0.10 0.00 0.00 34.13 31.15 3bgr s GLU 328 CO -0.05 0.67 -0.15 0.42 0.02 0.00 0.00 175.26 176.17 3bgr s ILE 329 N -0.78 1.30 -0.02 -1.63 1.01 -1.19 -1.43 121.20 118.46 3bgr s ILE 329 Ca 0.12 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.21 3bgr s ILE 329 Cb -0.12 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3bgr s ILE 329 CO 0.03 0.38 -0.25 -1.10 0.00 0.00 0.00 174.94 174.00 3bgr s GLN 330 N 0.10 2.06 -0.28 2.79 1.11 -0.09 -4.23 119.66 121.11 3bgr s GLN 330 Ca -0.04 -0.88 -0.25 0.00 0.01 0.00 0.00 55.36 54.20 3bgr s GLN 330 Cb -0.11 -1.95 0.00 0.00 -1.01 0.00 0.00 33.01 29.94 3bgr s GLN 330 CO 0.02 0.51 0.88 0.21 0.01 0.00 0.00 175.29 176.92 3bgr s LYS 331 N -0.51 4.07 0.00 2.91 2.20 -1.26 -2.05 119.74 125.10 3bgr s LYS 331 Ca 0.08 0.85 0.23 0.00 -0.36 0.00 0.00 55.97 56.77 3bgr s LYS 331 Cb -0.10 -3.70 -0.00 0.00 -1.51 0.00 0.00 37.83 32.52 3bgr s LYS 331 CO -0.00 -0.68 1.09 1.04 -0.36 0.00 0.00 175.35 176.44 3bgr n GLN 332 N 6.30 1.18 0.00 4.03 1.13 -0.76 -5.01 117.38 124.24 3bgr n GLN 332 Ca 0.07 -0.97 0.00 0.00 -1.94 0.00 0.00 57.00 54.16 3bgr n GLN 332 Cb 0.48 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.35 3bgr n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3bgr n GLY 333 N 1.42 -1.09 2.62 1.08 0.00 -1.23 -4.86 105.19 103.14 3bgr n GLY 333 Ca 0.09 -1.60 -0.19 0.00 0.00 0.00 0.00 46.02 44.32 3bgr n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bgr n GLN 334 N -0.82 -2.65 -1.00 1.61 6.02 -1.26 -2.07 117.38 117.21 3bgr n GLN 334 Ca 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 3bgr n GLN 334 Cb 0.00 -5.52 0.00 0.00 1.02 0.00 0.00 30.24 25.74 3bgr n GLN 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bgr n GLY 335 N -1.07 0.68 3.89 1.08 0.00 -1.26 -5.01 105.19 103.50 3bgr n GLY 335 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 3bgr n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bgr s GLN 336 N -0.02 3.43 0.01 1.61 -0.21 -0.88 -3.77 119.66 119.84 3bgr s GLN 336 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.14 3bgr s GLN 336 Cb 0.00 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.87 3bgr s GLN 336 CO 0.00 0.72 -0.02 -1.58 -2.12 0.00 0.00 175.29 172.28 3bgr s TRP 337 N -1.20 0.20 0.22 0.91 0.52 0.20 -1.84 118.94 117.95 3bgr s TRP 337 Ca 0.22 -0.21 0.11 0.00 0.02 0.00 0.00 56.10 56.24 3bgr s TRP 337 Cb -0.12 -0.13 -0.05 0.00 -1.15 0.00 0.00 33.47 32.02 3bgr s TRP 337 CO 0.13 -0.06 -0.21 0.95 0.02 0.00 0.00 176.95 177.78 3bgr s THR 338 N -0.57 2.51 0.06 2.01 -4.23 -0.87 0.86 115.64 115.42 3bgr s THR 338 Ca -0.05 -2.10 -0.19 0.00 -1.18 0.00 0.00 61.69 58.16 3bgr s THR 338 Cb -0.04 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.59 3bgr s THR 338 CO -0.00 -0.21 0.45 -0.72 -0.54 0.00 0.00 174.62 173.60 3bgr s TYR 339 N -1.95 -0.31 0.00 3.99 -0.85 -0.76 -0.92 117.35 116.55 3bgr s TYR 339 Ca 0.24 0.24 0.00 0.00 -0.52 0.00 0.00 57.07 57.04 3bgr s TYR 339 Cb -0.07 0.28 -0.00 0.00 0.38 0.00 0.00 41.96 42.54 3bgr s TYR 339 CO 0.12 -0.63 -0.01 -0.65 -1.52 0.00 0.00 175.55 172.86 3bgr s GLN 340 N -2.76 0.11 -0.10 -3.49 1.11 -0.51 -0.77 119.66 113.24 3bgr s GLN 340 Ca -0.03 -0.07 0.04 0.00 0.01 0.00 0.00 55.36 55.30 3bgr s GLN 340 Cb -0.00 -0.08 -0.00 0.00 -1.01 0.00 0.00 33.01 31.91 3bgr s GLN 340 CO -0.04 0.02 -0.23 0.42 0.01 0.00 0.00 175.29 175.47 3bgr s ILE 341 N -0.10 2.16 0.33 1.08 1.01 0.26 -1.06 121.20 124.88 3bgr s ILE 341 Ca -0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 3bgr s ILE 341 Cb -0.01 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.66 3bgr s ILE 341 CO -0.00 0.56 0.66 -0.72 0.00 0.00 0.00 174.94 175.44 3bgr s TYR 342 N 0.35 0.28 0.00 3.97 -0.85 -0.34 -0.91 117.35 119.86 3bgr s TYR 342 Ca -0.18 -0.77 0.00 0.00 -0.52 0.00 0.00 57.07 55.60 3bgr s TYR 342 Cb -0.18 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.69 3bgr s TYR 342 CO 0.08 -1.32 0.00 1.04 -1.52 0.00 0.00 175.55 173.83 3bgr n GLN 343 N -0.50 1.09 -4.86 -3.49 6.02 -1.26 0.10 117.38 114.48 3bgr n GLN 343 Ca -0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.62 3bgr n GLN 343 Cb 0.60 -0.89 -0.13 0.00 1.02 0.00 0.00 30.24 30.84 3bgr n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3bgr s GLU 344 N -1.79 2.76 0.25 -1.09 0.41 -1.26 -4.93 118.70 113.05 3bgr s GLU 344 Ca 0.00 -0.69 -0.31 0.00 -0.41 0.00 0.00 54.97 53.56 3bgr s GLU 344 Cb 0.00 -2.45 -0.13 0.00 -1.78 0.00 0.00 34.13 29.77 3bgr s GLU 344 CO 0.00 0.50 1.44 -2.30 -0.49 0.00 0.00 175.26 174.41 3bgr n PRO 345 N 2.67 2.13 -1.00 0.39 -0.02 -1.26 -1.38 135.00 136.53 3bgr n PRO 345 Ca -0.17 0.76 -0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3bgr n PRO 345 Cb 0.52 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3bgr n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3bgr n PHE 346 N 1.95 0.00 -3.26 6.00 3.01 -1.26 -4.91 117.46 118.99 3bgr n PHE 346 Ca 0.11 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.30 3bgr n PHE 346 Cb 0.32 -0.98 -0.06 0.00 -0.01 0.00 0.00 39.48 38.75 3bgr n PHE 346 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3bgr n LYS 347 N -1.07 2.84 -2.00 -1.08 4.76 -0.48 -4.78 118.16 116.35 3bgr n LYS 347 Ca -0.00 -4.73 -0.41 0.00 -2.87 0.00 0.00 58.31 50.29 3bgr n LYS 347 Cb 0.24 -2.26 -0.02 0.00 -1.84 0.00 0.00 35.03 31.15 3bgr n LYS 347 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3bgr s ASN 348 N -2.75 6.63 -0.02 4.39 0.01 -1.26 -4.33 114.94 117.60 3bgr s ASN 348 Ca 0.42 2.72 0.18 0.00 -0.71 0.00 0.00 52.86 55.48 3bgr s ASN 348 Cb 0.19 -2.63 -0.27 0.00 0.41 0.00 0.00 41.25 38.95 3bgr s ASN 348 CO -0.05 -0.70 0.45 0.18 -1.51 0.00 0.00 177.10 175.48 3bgr n LEU 349 N 1.88 0.13 -3.64 0.60 4.77 -0.09 -4.97 117.00 115.67 3bgr n LEU 349 Ca 0.05 -0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 55.91 3bgr n LEU 349 Cb 0.40 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3bgr n LEU 349 CO 0.61 0.03 0.70 -0.75 -1.33 0.00 0.00 177.39 176.65 3bgr s LYS 350 N -3.16 0.41 0.09 3.23 2.47 -1.08 -5.00 119.74 116.70 3bgr s LYS 350 Ca -0.05 0.64 0.03 0.00 -1.56 0.00 0.00 55.97 55.03 3bgr s LYS 350 Cb 0.12 0.12 -0.04 0.00 -1.46 0.00 0.00 37.83 36.58 3bgr s LYS 350 CO 0.75 -0.07 -0.09 0.95 0.16 0.00 0.00 175.35 177.04 3bgr s THR 351 N 1.00 0.85 0.37 3.43 -4.23 -1.26 0.91 115.64 116.71 3bgr s THR 351 Ca -0.05 -1.67 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 3bgr s THR 351 Cb -0.04 -1.37 0.04 0.00 1.34 0.00 0.00 72.50 72.47 3bgr s THR 351 CO -0.13 -0.62 0.71 -0.83 -0.54 0.00 0.00 174.62 173.21 3bgr s GLY 352 N -2.52 0.65 -0.16 3.99 0.00 0.05 -3.92 107.32 105.41 3bgr s GLY 352 Ca 0.06 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 43.74 3bgr s GLY 352 CO -0.01 -0.48 0.39 1.25 0.00 0.00 0.00 173.10 174.25 3bgr s LYS 353 N -2.52 0.39 0.27 2.90 2.20 -1.26 -1.84 119.74 119.89 3bgr s LYS 353 Ca 0.19 0.73 0.10 0.00 -0.36 0.00 0.00 55.97 56.62 3bgr s LYS 353 Cb -0.04 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.24 3bgr s LYS 353 CO 0.14 -0.14 -0.14 0.71 -0.36 0.00 0.00 175.35 175.55 3bgr s TYR 354 N 1.19 2.10 0.00 4.03 4.12 0.25 -4.93 117.35 124.11 3bgr s TYR 354 Ca -0.08 -0.49 0.00 0.00 0.02 0.00 0.00 57.07 56.52 3bgr s TYR 354 Cb -0.08 -1.03 0.00 0.00 -1.52 0.00 0.00 41.96 39.33 3bgr s TYR 354 CO -0.10 0.53 0.00 0.00 0.02 0.00 0.00 175.55 176.00 3bgr n ALA 355 N -0.58 0.00 -2.91 3.71 0.00 -1.25 0.62 120.51 120.09 3bgr n ALA 355 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 3bgr n ALA 355 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 3bgr n ALA 355 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3bgr s ARG 356 N 0.00 0.71 -0.44 0.00 3.52 -1.26 -5.01 118.95 116.48 3bgr s ARG 356 Ca 0.00 -0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 54.99 3bgr s ARG 356 Cb 0.00 0.30 0.12 0.00 -1.56 0.00 0.00 34.95 33.81 3bgr s ARG 356 CO 0.00 -0.21 2.54 0.00 -0.81 0.00 0.00 175.30 176.82 3bgr n MET 357 N 0.70 2.27 -3.13 5.12 0.00 -1.26 -4.86 117.12 115.96 3bgr n MET 357 Ca -0.19 -2.21 -0.45 0.00 0.00 0.00 0.00 57.70 54.84 3bgr n MET 357 Cb 0.59 -2.02 -0.03 0.00 0.00 0.00 0.00 33.22 31.76 3bgr n MET 357 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3bgr s ARG 358 N -1.88 3.44 -0.14 3.17 3.52 -1.26 -4.70 118.95 121.10 3bgr s ARG 358 Ca 0.52 -1.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.22 3bgr s ARG 358 Cb 0.35 -4.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.20 3bgr s ARG 358 CO -0.16 -1.53 0.00 0.41 -0.81 0.00 0.00 175.30 173.21 3bgr n GLY 359 N 4.87 0.13 2.47 8.12 0.00 -1.26 -4.83 105.19 114.68 3bgr n GLY 359 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 3bgr n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bgr n ALA 360 N -0.77 1.36 -0.05 4.61 0.00 -1.26 -4.91 120.51 119.49 3bgr n ALA 360 Ca -0.01 -2.54 -0.00 0.00 0.00 0.00 0.00 53.44 50.88 3bgr n ALA 360 Cb 0.05 -0.98 -0.16 0.00 0.00 0.00 0.00 19.45 18.36 3bgr n ALA 360 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3bgr n HIS 361 N 2.53 0.10 -0.28 0.00 -0.00 -1.26 -4.29 115.22 112.01 3bgr n HIS 361 Ca 0.24 0.03 0.03 0.00 0.46 0.00 0.00 57.72 58.48 3bgr n HIS 361 Cb 0.52 -0.80 0.06 0.00 -0.12 0.00 0.00 29.99 29.65 3bgr n HIS 361 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 3bgr n THR 362 N -2.56 1.23 -3.98 3.57 -2.24 -1.26 -4.92 114.28 104.12 3bgr n THR 362 Ca -0.18 -1.28 -0.31 0.00 -2.27 0.00 0.00 64.05 60.00 3bgr n THR 362 Cb 0.88 0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 69.28 3bgr n THR 362 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3bgr s ASN 363 N -1.40 4.37 0.13 3.42 3.84 -1.26 -4.97 114.94 119.07 3bgr s ASN 363 Ca 0.12 -1.65 -0.17 0.00 0.21 0.00 0.00 52.86 51.37 3bgr s ASN 363 Cb 0.09 -1.41 -0.02 0.00 -0.55 0.00 0.00 41.25 39.36 3bgr s ASN 363 CO 0.03 -0.30 1.69 0.44 -2.79 0.00 0.00 177.10 176.18 3bgr h ASP 364 N 7.79 0.47 -0.09 -4.21 3.45 -1.91 -2.63 116.42 119.30 3bgr h ASP 364 Ca -0.13 -0.14 -0.12 0.00 0.43 0.00 0.00 57.03 57.07 3bgr h ASP 364 Cb 1.04 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.67 3bgr h ASP 364 CO 0.47 0.48 -0.33 0.58 -1.57 0.00 0.00 179.24 178.88 3bgr h VAL 365 N 0.43 1.29 -0.48 -1.35 2.07 -1.99 -1.02 116.25 115.20 3bgr h VAL 365 Ca 0.12 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 3bgr h VAL 365 Cb 0.15 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3bgr h VAL 365 CO -0.01 0.46 -0.07 0.50 0.02 0.00 0.00 177.57 178.47 3bgr h LYS 366 N 0.49 0.85 0.05 1.57 3.64 -1.94 0.11 116.57 121.33 3bgr h LYS 366 Ca 0.06 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3bgr h LYS 366 Cb 0.80 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3bgr h LYS 366 CO 0.07 0.89 -0.02 1.96 -2.27 0.00 0.00 179.45 180.08 3bgr h GLN 367 N 0.77 -0.06 -0.74 1.90 4.20 -1.14 -0.57 115.11 119.46 3bgr h GLN 367 Ca 0.13 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.90 3bgr h GLN 367 Cb 0.56 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 3bgr h GLN 367 CO 0.03 0.27 0.45 1.25 -0.67 0.00 0.00 178.83 180.16 3bgr h LEU 368 N -0.40 0.70 -1.02 1.46 5.85 -1.08 0.27 115.31 121.10 3bgr h LEU 368 Ca -0.01 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3bgr h LEU 368 Cb 0.36 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3bgr h LEU 368 CO 0.01 0.46 0.20 0.74 -0.34 0.00 0.00 178.44 179.51 3bgr h THR 369 N 0.84 1.23 -0.26 1.05 2.02 -0.66 0.20 112.91 117.33 3bgr h THR 369 Ca 0.32 -0.77 -0.16 0.00 0.77 0.00 0.00 66.41 66.57 3bgr h THR 369 Cb 0.13 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3bgr h THR 369 CO -0.16 0.30 -0.50 -0.33 0.37 0.00 0.00 175.52 175.21 3bgr h GLU 370 N 0.88 0.73 -0.43 6.66 5.08 0.08 -2.53 114.58 125.05 3bgr h GLU 370 Ca 0.20 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 3bgr h GLU 370 Cb 0.24 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3bgr h GLU 370 CO -0.01 1.05 0.17 0.00 -1.00 0.00 0.00 179.01 179.22 3bgr h ALA 371 N 0.87 0.56 -0.94 3.43 0.00 0.06 -1.79 119.26 121.45 3bgr h ALA 371 Ca 0.03 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.89 3bgr h ALA 371 Cb 1.06 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 3bgr h ALA 371 CO 0.10 0.17 0.58 0.28 0.00 0.00 0.00 179.25 180.38 3bgr h VAL 372 N 0.55 0.97 -0.32 0.00 2.07 -0.48 0.02 116.25 119.06 3bgr h VAL 372 Ca 0.14 -0.34 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 3bgr h VAL 372 Cb 0.19 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3bgr h VAL 372 CO -0.01 0.18 -0.43 1.56 0.02 0.00 0.00 177.57 178.89 3bgr h GLN 373 N 0.98 0.86 -0.62 1.57 4.20 -1.13 -1.91 115.11 119.05 3bgr h GLN 373 Ca 0.44 -0.49 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 3bgr h GLN 373 Cb 0.35 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3bgr h GLN 373 CO -0.23 1.13 0.04 0.87 -0.67 0.00 0.00 178.83 179.97 3bgr h LYS 374 N 0.65 1.07 -0.69 1.46 1.57 -0.81 -0.23 116.57 119.59 3bgr h LYS 374 Ca 0.04 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 3bgr h LYS 374 Cb 1.03 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 3bgr h LYS 374 CO 0.10 1.02 0.13 0.82 -0.57 0.00 0.00 179.45 180.95 3bgr h ILE 375 N 0.99 1.26 -0.32 1.86 2.04 -0.97 -0.49 117.51 121.87 3bgr h ILE 375 Ca 0.18 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 3bgr h ILE 375 Cb 0.51 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3bgr h ILE 375 CO 0.02 0.39 -0.00 0.74 0.00 0.00 0.00 178.15 179.30 3bgr h THR 376 N 1.06 1.26 -0.31 -0.27 2.02 -1.09 -0.09 112.91 115.49 3bgr h THR 376 Ca 0.21 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.47 3bgr h THR 376 Cb 0.42 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 3bgr h THR 376 CO 0.01 0.31 0.12 0.74 0.37 0.00 0.00 175.52 177.07 3bgr h THR 377 N 0.37 0.92 -1.00 3.16 2.02 -0.84 0.66 112.91 118.20 3bgr h THR 377 Ca 0.09 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3bgr h THR 377 Cb 0.44 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 3bgr h THR 377 CO 0.02 0.05 0.66 -0.33 0.37 0.00 0.00 175.52 176.28 3bgr h GLU 378 N 0.26 1.21 -0.23 6.66 5.08 -0.82 -1.80 114.58 124.94 3bgr h GLU 378 Ca 0.14 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3bgr h GLU 378 Cb 0.10 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3bgr h GLU 378 CO -0.14 0.80 -0.34 1.03 -1.00 0.00 0.00 179.01 179.37 3bgr h SER 379 N 1.24 0.49 -0.05 1.42 0.87 0.14 -2.33 113.55 115.35 3bgr h SER 379 Ca 0.41 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 3bgr h SER 379 Cb 0.05 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3bgr h SER 379 CO -0.14 0.80 -0.00 0.40 -0.53 0.00 0.00 176.83 177.36 3bgr h ILE 380 N 0.41 1.25 -0.53 2.23 2.04 -0.11 -0.50 117.51 122.30 3bgr h ILE 380 Ca 0.05 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.20 3bgr h ILE 380 Cb 0.79 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 3bgr h ILE 380 CO 0.06 0.21 0.24 0.58 0.00 0.00 0.00 178.15 179.24 3bgr h VAL 381 N -0.21 0.90 0.05 1.67 2.07 -1.31 0.24 116.25 119.65 3bgr h VAL 381 Ca 0.01 -0.16 -0.21 0.00 0.82 0.00 0.00 66.70 67.17 3bgr h VAL 381 Cb 0.33 0.40 0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3bgr h VAL 381 CO 0.00 0.08 -0.83 0.40 0.02 0.00 0.00 177.57 177.24 3bgr h ILE 382 N 0.47 1.39 0.00 4.57 2.04 -1.39 -3.39 117.51 121.20 3bgr h ILE 382 Ca 0.24 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.85 3bgr h ILE 382 Cb 0.20 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3bgr h ILE 382 CO -0.20 0.67 0.00 0.79 0.00 0.00 0.00 178.15 179.41 3bgr n TRP 383 N -4.06 0.00 -1.19 1.37 8.01 -0.20 -4.91 117.44 116.46 3bgr n TRP 383 Ca -0.12 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.05 3bgr n TRP 383 Cb 0.79 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 30.08 3bgr n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bgr n GLY 384 N 0.80 0.52 3.77 6.99 0.00 0.83 -4.92 105.19 113.17 3bgr n GLY 384 Ca 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 3bgr n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bgr s LYS 385 N -2.43 1.69 0.07 1.61 -2.85 -1.26 -4.99 119.74 111.59 3bgr s LYS 385 Ca 0.00 -0.95 -0.02 0.00 -1.00 0.00 0.00 55.97 54.00 3bgr s LYS 385 Cb 0.00 0.59 -0.04 0.00 -2.06 0.00 0.00 37.83 36.32 3bgr s LYS 385 CO 0.00 -0.77 0.25 0.95 0.10 0.00 0.00 175.35 175.89 3bgr s THR 386 N -3.91 5.33 0.58 3.79 -4.23 -1.26 -3.52 115.64 112.42 3bgr s THR 386 Ca 0.11 -0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.38 3bgr s THR 386 Cb -0.05 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.20 3bgr s THR 386 CO 0.05 0.15 0.85 -2.16 -0.54 0.00 0.00 174.62 172.97 3bgr s PRO 387 N -2.43 2.69 -0.27 3.99 0.04 -1.26 -4.63 135.00 133.12 3bgr s PRO 387 Ca 0.35 -0.35 -0.13 0.00 0.04 0.00 0.00 61.00 60.91 3bgr s PRO 387 Cb -0.13 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 3bgr s PRO 387 CO 0.25 -0.75 0.27 0.21 0.04 0.00 0.00 177.00 177.03 3bgr s LYS 388 N -4.91 3.99 0.24 4.56 2.20 0.11 -4.13 119.74 121.80 3bgr s LYS 388 Ca 0.55 -0.15 -0.18 0.00 -0.36 0.00 0.00 55.97 55.83 3bgr s LYS 388 Cb -0.10 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.48 3bgr s LYS 388 CO 0.42 -0.21 0.71 -0.06 -0.36 0.00 0.00 175.35 175.85 3bgr s PHE 389 N 1.86 3.59 -0.35 4.03 0.40 -0.59 -1.13 117.98 125.77 3bgr s PHE 389 Ca 0.11 1.33 0.02 0.00 -0.60 0.00 0.00 56.93 57.79 3bgr s PHE 389 Cb -0.16 -2.58 0.10 0.00 0.51 0.00 0.00 43.02 40.89 3bgr s PHE 389 CO 0.10 0.29 0.08 0.15 0.70 0.00 0.00 175.22 176.54 3bgr s LYS 390 N -2.19 1.62 -0.13 0.44 1.02 -0.18 0.49 119.74 120.81 3bgr s LYS 390 Ca 0.45 -1.85 -0.14 0.00 0.02 0.00 0.00 55.97 54.45 3bgr s LYS 390 Cb -0.15 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 3bgr s LYS 390 CO 0.20 -0.96 0.31 -0.51 -0.92 0.00 0.00 175.35 173.46 3bgr s LEU 391 N 0.96 4.30 -1.39 3.17 1.43 -0.24 -3.19 118.68 123.72 3bgr s LEU 391 Ca 0.10 0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 53.64 3bgr s LEU 391 Cb -0.20 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.65 3bgr s LEU 391 CO -0.07 0.16 2.16 -0.81 0.23 0.00 0.00 176.35 178.02 3bgr n PRO 392 N 3.13 2.76 -3.55 1.29 -0.04 -1.26 -1.63 135.00 135.69 3bgr n PRO 392 Ca -0.13 -2.59 -0.13 0.00 -0.04 0.00 0.00 63.50 60.61 3bgr n PRO 392 Cb 0.52 -3.28 -0.05 0.00 -0.04 0.00 0.00 33.50 30.65 3bgr n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3bgr s ILE 393 N 3.51 0.00 0.27 0.52 2.07 -1.26 -4.96 121.20 121.35 3bgr s ILE 393 Ca 0.49 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.43 3bgr s ILE 393 Cb 0.13 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.63 3bgr s ILE 393 CO -0.06 0.00 1.09 -1.58 -1.91 0.00 0.00 174.94 172.48 3bgr s GLN 394 N -1.19 4.65 0.19 3.50 0.74 -1.26 -4.34 119.66 121.95 3bgr s GLN 394 Ca -0.05 1.78 -0.17 0.00 0.05 0.00 0.00 55.36 56.97 3bgr s GLN 394 Cb -0.00 -3.20 0.16 0.00 1.10 0.00 0.00 33.01 31.07 3bgr s GLN 394 CO 0.04 0.22 1.63 -0.22 -0.55 0.00 0.00 175.29 176.41 3bgr h LYS 395 N 3.94 -0.07 -0.66 1.67 3.64 -1.96 -1.98 116.57 121.15 3bgr h LYS 395 Ca -0.46 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.93 3bgr h LYS 395 Cb 1.21 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 3bgr h LYS 395 CO 0.67 -0.05 0.43 0.93 -2.27 0.00 0.00 179.45 179.17 3bgr h GLU 396 N -0.07 0.84 -0.06 1.90 3.07 -1.98 -0.01 114.58 118.26 3bgr h GLU 396 Ca 0.25 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 3bgr h GLU 396 Cb 0.46 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3bgr h GLU 396 CO -0.58 0.56 -0.10 1.15 -1.40 0.00 0.00 179.01 178.63 3bgr h THR 397 N 0.86 1.40 0.36 1.13 2.02 -1.78 -2.80 112.91 114.11 3bgr h THR 397 Ca 0.25 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 3bgr h THR 397 Cb -0.06 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3bgr h THR 397 CO -0.06 0.38 -0.18 -0.25 0.37 0.00 0.00 175.52 175.78 3bgr h TRP 398 N -0.29 -0.47 0.00 3.16 2.91 -1.20 -2.68 115.95 117.37 3bgr h TRP 398 Ca 0.01 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 3bgr h TRP 398 Cb 0.66 0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 29.46 3bgr h TRP 398 CO 0.11 -0.29 -0.01 0.93 -1.03 0.00 0.00 178.44 178.14 3bgr h GLU 399 N -0.50 0.00 0.12 2.65 4.39 -1.08 -1.28 114.58 118.88 3bgr h GLU 399 Ca -0.05 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.38 3bgr h GLU 399 Cb 0.39 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3bgr h GLU 399 CO 0.07 0.01 -1.21 1.15 -1.16 0.00 0.00 179.01 177.88 3bgr h THR 400 N 0.00 1.43 0.00 1.13 2.02 -1.25 -3.42 112.91 112.82 3bgr h THR 400 Ca -0.00 -2.84 -0.02 0.00 0.77 0.00 0.00 66.41 64.32 3bgr h THR 400 Cb 0.05 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 3bgr h THR 400 CO 0.00 0.84 -1.51 0.79 0.37 0.00 0.00 175.52 176.00 3bgr n TRP 401 N -3.62 0.00 -0.14 3.16 7.02 -0.72 -4.77 117.44 118.36 3bgr n TRP 401 Ca -0.09 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.52 3bgr n TRP 401 Cb 0.99 -0.28 0.49 0.00 -2.42 0.00 0.00 31.31 30.10 3bgr n TRP 401 CO 0.00 0.00 0.00 0.11 -2.02 0.00 0.00 177.69 175.78 3bgr h TRP 402 N 0.00 0.49 0.00 -5.99 5.08 -1.52 -1.03 115.95 112.98 3bgr h TRP 402 Ca -0.03 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.93 3bgr h TRP 402 Cb 0.63 -0.16 -0.00 0.00 -3.00 0.00 0.00 29.16 26.63 3bgr h TRP 402 CO 0.00 0.20 -0.09 1.79 -1.28 0.00 0.00 178.44 179.07 3bgr h THR 403 N 0.43 0.29 0.00 0.12 1.35 -1.86 -2.20 112.91 111.04 3bgr h THR 403 Ca 0.34 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3bgr h THR 403 Cb 0.73 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3bgr h THR 403 CO -0.11 0.08 0.00 -0.33 -0.25 0.00 0.00 175.52 174.92 3bgr h GLU 404 N 0.00 0.00 0.00 4.72 4.39 -1.51 -3.25 114.58 118.93 3bgr h GLU 404 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bgr h GLU 404 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3bgr h GLU 404 CO 0.01 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.52 3bgr n TYR 405 N -2.72 0.00 -2.63 4.33 4.02 -0.87 -5.04 117.16 114.25 3bgr n TYR 405 Ca 0.02 -0.21 -0.41 0.00 -0.01 0.00 0.00 57.90 57.29 3bgr n TYR 405 Cb 0.30 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 39.56 3bgr n TYR 405 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3bgr s TRP 406 N -0.42 3.73 -0.00 -0.72 -0.11 -0.98 -4.82 118.94 115.62 3bgr s TRP 406 Ca 0.00 1.72 0.00 0.00 1.22 0.00 0.00 56.10 59.04 3bgr s TRP 406 Cb 0.00 -3.15 0.00 0.00 -1.50 0.00 0.00 33.47 28.82 3bgr s TRP 406 CO 0.00 -0.14 0.67 1.04 -4.62 0.00 0.00 176.95 173.90 3bgr n GLN 407 N 2.47 1.04 -4.07 5.86 6.02 -1.26 -4.45 117.38 122.98 3bgr n GLN 407 Ca 0.02 -0.85 -0.25 0.00 -0.01 0.00 0.00 57.00 55.91 3bgr n GLN 407 Cb 0.48 -0.67 -0.05 0.00 1.02 0.00 0.00 30.24 31.01 3bgr n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3bgr s ALA 408 N -0.35 3.64 -0.81 -1.58 0.00 -1.26 -4.56 121.76 116.84 3bgr s ALA 408 Ca 0.00 -1.25 0.25 0.00 0.00 0.00 0.00 51.96 50.96 3bgr s ALA 408 Cb 0.00 -1.41 0.57 0.00 0.00 0.00 0.00 23.12 22.28 3bgr s ALA 408 CO 0.00 0.42 1.48 0.25 0.00 0.00 0.00 175.76 177.92 3bgr n THR 409 N -0.65 0.23 -3.78 0.00 -2.24 -1.26 -4.85 114.28 101.73 3bgr n THR 409 Ca -0.08 -0.16 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 3bgr n THR 409 Cb 0.56 -0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 3bgr n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3bgr s TRP 410 N -3.09 2.70 -0.11 4.78 1.48 -1.26 -4.68 118.94 118.76 3bgr s TRP 410 Ca 0.09 -0.49 -0.04 0.00 -1.06 0.00 0.00 56.10 54.60 3bgr s TRP 410 Cb 0.15 -2.03 0.05 0.00 -1.16 0.00 0.00 33.47 30.48 3bgr s TRP 410 CO 0.67 0.03 0.22 0.42 -4.06 0.00 0.00 176.95 174.24 3bgr s ILE 411 N -2.49 -0.28 0.90 0.66 1.01 -1.26 -5.04 121.20 114.70 3bgr s ILE 411 Ca 0.45 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 61.24 3bgr s ILE 411 Cb -0.02 -0.38 0.20 0.00 0.01 0.00 0.00 42.46 42.28 3bgr s ILE 411 CO 0.26 0.11 1.22 -0.81 0.00 0.00 0.00 174.94 175.72 3bgr n PRO 412 N 5.06 -1.03 -3.64 2.79 -0.04 -1.26 -4.93 135.00 131.95 3bgr n PRO 412 Ca -0.11 -2.10 -0.22 0.00 -0.04 0.00 0.00 63.50 61.03 3bgr n PRO 412 Cb 0.50 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 3bgr n PRO 412 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3bgr s GLU 413 N -5.65 3.41 0.10 0.54 0.41 -1.26 -5.03 118.70 111.23 3bgr s GLU 413 Ca 0.71 -0.59 -0.25 0.00 -0.41 0.00 0.00 54.97 54.43 3bgr s GLU 413 Cb -0.02 -2.77 0.07 0.00 -1.78 0.00 0.00 34.13 29.62 3bgr s GLU 413 CO 0.49 0.25 0.61 1.67 -0.49 0.00 0.00 175.26 177.80 3bgr s TRP 414 N -2.16 -0.56 0.21 1.61 -2.14 -1.26 -1.55 118.94 113.09 3bgr s TRP 414 Ca 0.38 0.52 0.01 0.00 2.66 0.00 0.00 56.10 59.67 3bgr s TRP 414 Cb -0.09 0.51 -0.05 0.00 -3.10 0.00 0.00 33.47 30.74 3bgr s TRP 414 CO 0.32 -0.78 0.08 -1.83 -2.66 0.00 0.00 176.95 172.08 3bgr s GLU 415 N -3.08 1.25 -0.05 3.25 -1.05 0.18 -4.89 118.70 114.30 3bgr s GLU 415 Ca -0.02 -1.65 0.04 0.00 -0.15 0.00 0.00 54.97 53.18 3bgr s GLU 415 Cb -0.01 -0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.57 3bgr s GLU 415 CO -0.07 -0.28 -0.15 -0.06 0.95 0.00 0.00 175.26 175.65 3bgr s PHE 416 N -3.86 2.69 -0.27 4.83 0.40 -1.26 -1.08 117.98 119.43 3bgr s PHE 416 Ca 0.34 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.37 3bgr s PHE 416 Cb 0.07 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 3bgr s PHE 416 CO 0.10 0.15 0.12 0.54 0.70 0.00 0.00 175.22 176.82 3bgr s VAL 417 N -0.64 4.57 -1.40 -0.44 0.11 -0.65 -4.88 120.40 117.07 3bgr s VAL 417 Ca 0.10 -0.19 0.18 0.00 -2.93 0.00 0.00 61.98 59.14 3bgr s VAL 417 Cb -0.11 -3.21 -0.07 0.00 -1.53 0.00 0.00 36.38 31.46 3bgr s VAL 417 CO 0.01 0.24 0.88 0.59 -3.33 0.00 0.00 175.10 173.49 3bgr n ASN 418 N 4.96 1.45 -4.41 3.54 3.02 -1.26 -4.10 115.26 118.47 3bgr n ASN 418 Ca -0.15 -1.23 -0.34 0.00 -0.03 0.00 0.00 54.58 52.84 3bgr n ASN 418 Cb 0.51 0.66 -0.13 0.00 -0.61 0.00 0.00 39.78 40.21 3bgr n ASN 418 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3bgr s THR 419 N -2.34 3.47 0.09 3.41 2.01 -1.26 -5.06 115.64 115.95 3bgr s THR 419 Ca 0.12 -0.50 -0.32 0.00 0.31 0.00 0.00 61.69 61.31 3bgr s THR 419 Cb 0.14 -2.51 -0.11 0.00 0.01 0.00 0.00 72.50 70.03 3bgr s THR 419 CO 0.57 0.49 1.84 -0.81 -0.69 0.00 0.00 174.62 176.01 3bgr n PRO 420 N 3.85 2.66 -2.24 4.92 -0.04 -1.26 -4.91 135.00 137.97 3bgr n PRO 420 Ca -0.18 0.97 -0.42 0.00 -0.04 0.00 0.00 63.50 63.83 3bgr n PRO 420 Cb 0.52 -2.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.10 3bgr n PRO 420 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3bgr s PRO 421 N 2.97 4.30 0.45 0.54 0.02 -1.26 -4.89 135.00 137.13 3bgr s PRO 421 Ca 0.84 1.95 0.19 0.00 0.02 0.00 0.00 61.00 64.00 3bgr s PRO 421 Cb -0.52 -3.53 1.09 0.00 0.02 0.00 0.00 34.50 31.55 3bgr s PRO 421 CO 0.40 -0.54 1.97 1.25 -0.33 0.00 0.00 177.00 179.75 3bgr h LEU 422 N 8.14 0.00 -0.16 -5.54 5.85 -2.08 -3.02 115.31 118.50 3bgr h LEU 422 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3bgr h LEU 422 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3bgr h LEU 422 CO 0.89 0.21 0.00 1.33 -0.34 0.00 0.00 178.44 180.53 3bgr n VAL 423 N -3.98 0.00 0.29 1.05 0.24 -1.26 -4.31 118.33 110.35 3bgr n VAL 423 Ca -0.02 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.12 3bgr n VAL 423 Cb 0.29 -0.16 -0.09 0.00 -1.47 0.00 0.00 33.84 32.41 3bgr n VAL 423 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3bgr h LYS 424 N 0.04 -0.90 -0.77 7.34 3.64 -1.94 -3.17 116.57 120.80 3bgr h LYS 424 Ca 0.00 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3bgr h LYS 424 Cb 0.06 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3bgr h LYS 424 CO 0.00 -0.60 0.47 1.25 -2.27 0.00 0.00 179.45 178.29 3bgr h LEU 425 N -0.94 0.93 -0.33 5.20 5.85 -1.89 -2.27 115.31 121.86 3bgr h LEU 425 Ca -0.07 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3bgr h LEU 425 Cb 0.80 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3bgr h LEU 425 CO -0.02 0.71 0.15 0.79 -0.34 0.00 0.00 178.44 179.72 3bgr n TRP 426 N -4.38 0.17 -0.03 1.25 8.01 -1.20 0.39 117.44 121.65 3bgr n TRP 426 Ca 0.08 0.09 0.10 0.00 -1.31 0.00 0.00 57.50 56.46 3bgr n TRP 426 Cb 0.07 -0.51 0.22 0.00 -2.01 0.00 0.00 31.31 29.07 3bgr n TRP 426 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3bgr n TYR 427 N -1.60 0.60 -2.00 -5.99 0.53 -0.85 -4.98 117.16 102.87 3bgr n TYR 427 Ca -0.00 -0.38 0.00 0.00 -1.02 0.00 0.00 57.90 56.50 3bgr n TYR 427 Cb 0.15 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.46 3bgr n TYR 427 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78