#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5bj3 n ARG 2 N 0.00 0.00 0.00 3.17 5.12 -1.26 -5.17 116.66 118.53 5bj3 n ARG 2 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 5bj3 n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 5bj3 n ARG 2 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 5bj3 n GLY 3 N -1.19 4.53 3.87 -0.13 0.00 -1.26 -5.13 105.19 105.89 5bj3 n GLY 3 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 5bj3 n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5bj3 s LEU 4 N 0.00 3.74 0.72 0.99 1.43 -1.26 -5.07 118.68 119.24 5bj3 s LEU 4 Ca 0.00 1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 5bj3 s LEU 4 Cb 0.00 -4.09 0.02 0.00 0.03 0.00 0.00 46.19 42.16 5bj3 s LEU 4 CO 0.00 -0.47 1.07 -0.94 0.23 0.00 0.00 176.35 176.23 5bj3 s SER 5 N -3.33 5.14 0.16 2.29 1.04 -1.26 -4.92 113.70 112.82 5bj3 s SER 5 Ca 0.52 1.64 -0.13 0.00 0.48 0.00 0.00 55.95 58.46 5bj3 s SER 5 Cb -0.10 -2.47 0.04 0.00 0.10 0.00 0.00 66.02 63.59 5bj3 s SER 5 CO 0.34 -1.60 1.68 0.03 0.98 0.00 0.00 173.24 174.67 5bj3 h ARG 6 N -0.83 0.83 -0.84 4.02 3.08 -1.98 -2.19 114.38 116.47 5bj3 h ARG 6 Ca -0.44 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 59.47 5bj3 h ARG 6 Cb 1.22 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.10 5bj3 h ARG 6 CO 0.56 0.77 0.55 0.07 -1.07 0.00 0.00 179.97 180.85 5bj3 h ARG 7 N 0.74 0.99 0.01 0.04 0.11 -1.94 0.05 114.38 114.38 5bj3 h ARG 7 Ca 0.17 -0.06 -0.24 0.00 0.10 0.00 0.00 59.98 59.95 5bj3 h ARG 7 Cb 0.29 -0.22 0.01 0.00 1.11 0.00 0.00 29.97 31.15 5bj3 h ARG 7 CO -0.00 0.66 -0.99 -0.24 0.10 0.00 0.00 179.97 179.50 5bj3 h VAL 8 N 1.02 1.37 0.00 0.08 3.04 -1.93 -3.18 116.25 116.65 5bj3 h VAL 8 Ca 0.34 -2.43 -0.04 0.00 -1.01 0.00 0.00 66.70 63.57 5bj3 h VAL 8 Cb 0.07 2.44 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 5bj3 h VAL 8 CO -0.10 0.73 -0.18 1.56 -1.01 0.00 0.00 177.57 178.57 5bj3 h GLN 9 N 0.26 0.00 -0.00 4.17 4.20 -0.72 -2.82 115.11 120.19 5bj3 h GLN 9 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 5bj3 h GLN 9 Cb 1.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.41 5bj3 h GLN 9 CO 0.18 0.18 -0.09 0.00 -0.67 0.00 0.00 178.83 178.42 5bj3 n ALA 10 N -2.22 2.74 -1.77 3.87 0.00 -0.06 -4.91 120.51 118.17 5bj3 n ALA 10 Ca -0.00 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.77 5bj3 n ALA 10 Cb 0.38 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 5bj3 n ALA 10 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 5bj3 s MET 11 N -2.37 4.40 -0.00 0.00 -1.94 -1.07 -5.00 119.30 113.32 5bj3 s MET 11 Ca 0.32 1.73 -0.30 0.00 -1.71 0.00 0.00 55.69 55.72 5bj3 s MET 11 Cb 0.20 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.09 5bj3 s MET 11 CO 0.45 0.02 1.20 0.15 -0.01 0.00 0.00 175.02 176.83 5bj3 s LYS 12 N -1.90 4.39 0.00 2.03 1.02 -1.26 -5.10 119.74 118.93 5bj3 s LYS 12 Ca 0.50 1.71 0.00 0.00 0.02 0.00 0.00 55.97 58.20 5bj3 s LYS 12 Cb -0.29 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 5bj3 s LYS 12 CO 0.37 -0.36 0.00 -0.35 -0.92 0.00 0.00 175.35 174.09 5bj3 n PRO 13 N 4.65 -0.53 0.00 -1.68 -0.04 -1.26 -5.17 135.00 130.97 5bj3 n PRO 13 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 5bj3 n PRO 13 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 5bj3 n PRO 13 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 5bj3 n LEU 33 N 0.00 0.00 -4.38 1.53 0.00 -1.26 -5.23 117.00 107.66 5bj3 n LEU 33 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 56.01 55.64 5bj3 n LEU 33 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.30 5bj3 n LEU 33 CO 0.00 0.00 -0.27 -0.69 0.00 0.00 0.00 177.39 176.43 5bj3 s VAL 34 N -0.51 4.12 -0.25 1.96 1.01 -0.67 -4.99 120.40 121.08 5bj3 s VAL 34 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 5bj3 s VAL 34 Cb 0.00 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 5bj3 s VAL 34 CO 0.00 0.15 0.17 0.00 0.00 0.00 0.00 175.10 175.43 5bj3 s ALA 35 N 1.54 3.59 -0.41 5.51 0.00 -1.26 -0.56 121.76 130.18 5bj3 s ALA 35 Ca 0.04 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.13 5bj3 s ALA 35 Cb -0.16 -2.36 0.44 0.00 0.00 0.00 0.00 23.12 21.03 5bj3 s ALA 35 CO 0.03 -0.26 1.27 1.28 0.00 0.00 0.00 175.76 178.08 5bj3 n LEU 36 N 4.44 5.20 -0.06 0.00 4.77 0.28 -4.67 117.00 126.95 5bj3 n LEU 36 Ca -0.15 -4.90 0.04 0.00 -0.03 0.00 0.00 56.01 50.98 5bj3 n LEU 36 Cb 0.52 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 5bj3 n LEU 36 CO 0.35 2.09 0.05 0.35 -1.33 0.00 0.00 177.39 178.90 5bj3 n THR 37 N -0.63 0.00 -1.60 -5.08 -2.24 -1.25 -1.46 114.28 102.02 5bj3 n THR 37 Ca 0.44 -0.34 -0.46 0.00 -2.27 0.00 0.00 64.05 61.42 5bj3 n THR 37 Cb 0.79 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 70.03 5bj3 n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 5bj3 n ALA 38 N -0.90 -0.26 -0.88 6.98 0.00 -1.26 -4.91 120.51 119.28 5bj3 n ALA 38 Ca 0.02 0.42 0.08 0.00 0.00 0.00 0.00 53.44 53.96 5bj3 n ALA 38 Cb 0.14 -2.05 0.14 0.00 0.00 0.00 0.00 19.45 17.68 5bj3 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5bj3 n GLY 39 N 1.60 4.43 3.15 0.00 0.00 -1.26 -4.77 105.19 108.33 5bj3 n GLY 39 Ca 0.12 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 5bj3 n GLY 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 5bj3 s GLU 40 N -2.55 0.63 0.63 1.61 -1.05 -1.26 -5.02 118.70 111.69 5bj3 s GLU 40 Ca 0.29 -0.66 -0.19 0.00 -0.15 0.00 0.00 54.97 54.26 5bj3 s GLU 40 Cb 0.25 0.26 -0.02 0.00 -0.44 0.00 0.00 34.13 34.17 5bj3 s GLU 40 CO 0.04 -0.17 1.29 -2.30 0.95 0.00 0.00 175.26 175.07 5bj3 n PRO 41 N 0.79 1.22 0.05 -4.83 -0.02 -1.26 -4.90 135.00 126.05 5bj3 n PRO 41 Ca -0.19 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 61.88 5bj3 n PRO 41 Cb 0.58 -2.52 0.34 0.00 -0.02 0.00 0.00 33.50 31.88 5bj3 n PRO 41 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 5bj3 n ASP 42 N -1.66 0.56 -4.81 2.55 5.75 -1.26 -4.85 116.55 112.83 5bj3 n ASP 42 Ca 0.15 0.26 -0.34 0.00 -0.01 0.00 0.00 54.79 54.85 5bj3 n ASP 42 Cb 0.47 -0.23 -0.06 0.00 -1.03 0.00 0.00 41.12 40.27 5bj3 n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 5bj3 s PHE 43 N -3.08 3.26 0.56 2.11 0.08 -1.26 -5.06 117.98 114.59 5bj3 s PHE 43 Ca 0.10 1.62 -0.07 0.00 0.12 0.00 0.00 56.93 58.70 5bj3 s PHE 43 Cb 0.15 -2.93 -0.02 0.00 -0.57 0.00 0.00 43.02 39.65 5bj3 s PHE 43 CO 0.64 -0.30 0.90 0.34 -0.10 0.00 0.00 175.22 176.70 5bj3 s ASP 44 N -2.04 5.95 0.30 1.36 2.15 -1.26 -4.84 116.67 118.29 5bj3 s ASP 44 Ca 0.62 0.96 -0.29 0.00 0.43 0.00 0.00 52.55 54.27 5bj3 s ASP 44 Cb -0.12 -2.07 -0.10 0.00 -0.30 0.00 0.00 42.92 40.32 5bj3 s ASP 44 CO 0.17 -0.87 1.33 0.28 -0.17 0.00 0.00 175.17 175.91 5bj3 s THR 45 N -2.96 2.77 0.31 1.71 -1.32 -1.22 -4.85 115.64 110.07 5bj3 s THR 45 Ca 0.52 0.72 -0.29 0.00 -1.21 0.00 0.00 61.69 61.44 5bj3 s THR 45 Cb -0.11 -3.46 -0.13 0.00 -1.51 0.00 0.00 72.50 67.30 5bj3 s THR 45 CO 0.47 0.15 1.24 -0.81 -2.21 0.00 0.00 174.62 173.46 5bj3 n PRO 46 N 1.34 1.92 -0.33 7.08 -0.04 -1.26 -4.81 135.00 138.90 5bj3 n PRO 46 Ca 0.02 0.67 0.22 0.00 -0.04 0.00 0.00 63.50 64.37 5bj3 n PRO 46 Cb 0.42 -2.21 0.49 0.00 -0.04 0.00 0.00 33.50 32.15 5bj3 n PRO 46 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 5bj3 h GLU 47 N 2.68 0.42 -0.00 0.54 4.39 -1.99 -0.76 114.58 119.85 5bj3 h GLU 47 Ca -0.44 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 5bj3 h GLU 47 Cb 1.30 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 5bj3 h GLU 47 CO 0.64 0.28 -0.15 1.12 -1.16 0.00 0.00 179.01 179.74 5bj3 h HIS 48 N 0.43 0.00 0.07 4.33 2.07 -1.97 0.09 115.15 120.18 5bj3 h HIS 48 Ca 0.60 -0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.87 5bj3 h HIS 48 Cb 1.45 -0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.45 5bj3 h HIS 48 CO -0.00 0.15 -1.02 0.28 -3.07 0.00 0.00 177.93 174.27 5bj3 h VAL 49 N 0.00 1.34 -0.73 6.12 2.07 -1.46 -2.88 116.25 120.72 5bj3 h VAL 49 Ca -0.00 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 5bj3 h VAL 49 Cb 0.27 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 5bj3 h VAL 49 CO 0.02 0.70 0.42 0.11 0.02 0.00 0.00 177.57 178.84 5bj3 h LYS 50 N 0.14 0.99 -0.38 1.57 1.57 -1.14 -2.45 116.57 116.88 5bj3 h LYS 50 Ca -0.15 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 5bj3 h LYS 50 Cb 1.71 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.80 5bj3 h LYS 50 CO 0.20 0.71 0.14 0.93 -0.57 0.00 0.00 179.45 180.86 5bj3 h GLU 51 N 1.00 0.57 -0.66 3.15 4.39 -1.01 -1.62 114.58 120.40 5bj3 h GLU 51 Ca 0.26 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.87 5bj3 h GLU 51 Cb -0.01 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 5bj3 h GLU 51 CO -0.05 0.55 0.44 0.00 -1.16 0.00 0.00 179.01 178.79 5bj3 h ALA 52 N 0.99 1.57 -0.37 3.43 0.00 -1.24 -0.03 119.26 123.61 5bj3 h ALA 52 Ca 0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 5bj3 h ALA 52 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 5bj3 h ALA 52 CO -0.01 0.38 -0.04 0.00 0.00 0.00 0.00 179.25 179.58 5bj3 h ALA 53 N 1.60 0.50 -0.81 0.00 0.00 -1.10 -1.60 119.26 117.85 5bj3 h ALA 53 Ca 0.25 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 5bj3 h ALA 53 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 5bj3 h ALA 53 CO -0.06 0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.85 5bj3 h ARG 54 N 0.48 1.18 -0.31 0.00 3.08 -0.50 -1.83 114.38 116.49 5bj3 h ARG 54 Ca 0.10 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 5bj3 h ARG 54 Cb 0.53 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 5bj3 h ARG 54 CO 0.03 0.93 -0.22 0.00 -1.07 0.00 0.00 179.97 179.63 5bj3 h ARG 55 N 1.16 0.59 -0.42 0.04 3.08 -0.88 -1.97 114.38 115.99 5bj3 h ARG 55 Ca 0.27 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 5bj3 h ARG 55 Cb 0.16 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 5bj3 h ARG 55 CO -0.03 0.77 0.13 0.00 -1.07 0.00 0.00 179.97 179.77 5bj3 h ALA 56 N 1.23 0.55 -0.12 0.04 0.00 -0.81 -0.28 119.26 119.87 5bj3 h ALA 56 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 5bj3 h ALA 56 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 5bj3 h ALA 56 CO 0.05 0.19 0.07 -0.07 0.00 0.00 0.00 179.25 179.49 5bj3 h LEU 57 N 0.53 0.11 -1.51 0.00 3.38 -1.18 -1.02 115.31 115.63 5bj3 h LEU 57 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 5bj3 h LEU 57 Cb 0.26 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 5bj3 h LEU 57 CO -0.00 0.08 0.16 0.00 0.09 0.00 0.00 178.44 178.77 5bj3 h ALA 58 N 1.05 1.62 -0.01 1.53 0.00 -1.15 -1.68 119.26 120.62 5bj3 h ALA 58 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 5bj3 h ALA 58 Cb -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 5bj3 h ALA 58 CO -0.02 0.31 -0.05 1.04 0.00 0.00 0.00 179.25 180.53 5bj3 n GLN 59 N -4.41 1.08 -2.18 0.00 6.02 -0.13 -4.93 117.38 112.83 5bj3 n GLN 59 Ca 0.02 -0.39 -0.07 0.00 -0.01 0.00 0.00 57.00 56.54 5bj3 n GLN 59 Cb 0.12 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.89 5bj3 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 5bj3 n GLY 60 N 1.16 0.08 2.64 1.08 0.00 -0.63 -4.93 105.19 104.59 5bj3 n GLY 60 Ca 0.19 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 5bj3 n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 5bj3 n LYS 61 N -1.73 3.11 -0.11 1.61 4.76 -0.46 -4.47 118.16 120.86 5bj3 n LYS 61 Ca -0.08 -2.58 0.05 0.00 -2.87 0.00 0.00 58.31 52.83 5bj3 n LYS 61 Cb 0.57 -3.15 0.07 0.00 -1.84 0.00 0.00 35.03 30.67 5bj3 n LYS 61 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 5bj3 n THR 62 N 4.61 1.21 -2.93 -0.18 -2.24 -1.26 -4.11 114.28 109.38 5bj3 n THR 62 Ca 0.57 -1.40 -0.19 0.00 -2.27 0.00 0.00 64.05 60.76 5bj3 n THR 62 Cb 0.35 0.17 0.04 0.00 -2.10 0.00 0.00 70.33 68.79 5bj3 n THR 62 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 5bj3 s LYS 63 N -1.71 2.49 0.44 -0.78 -0.14 -1.26 -5.02 119.74 113.77 5bj3 s LYS 63 Ca 0.16 -1.31 -0.25 0.00 -1.36 0.00 0.00 55.97 53.21 5bj3 s LYS 63 Cb 0.14 -2.64 -0.09 0.00 -1.68 0.00 0.00 37.83 33.56 5bj3 s LYS 63 CO 0.02 -0.65 1.37 0.66 -0.76 0.00 0.00 175.35 175.98 5bj3 n TYR 64 N -2.15 2.48 -4.09 3.18 4.01 -1.26 -4.74 117.16 114.58 5bj3 n TYR 64 Ca 0.11 0.46 -0.23 0.00 -0.16 0.00 0.00 57.90 58.09 5bj3 n TYR 64 Cb 0.60 -2.43 -0.06 0.00 -0.31 0.00 0.00 39.34 37.15 5bj3 n TYR 64 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 5bj3 s ALA 65 N -1.20 3.50 0.68 -0.72 0.00 -1.26 -5.10 121.76 117.66 5bj3 s ALA 65 Ca 0.61 -1.70 -0.16 0.00 0.00 0.00 0.00 51.96 50.72 5bj3 s ALA 65 Cb -0.47 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 21.75 5bj3 s ALA 65 CO 0.57 0.11 1.18 -2.14 0.00 0.00 0.00 175.76 175.49 5bj3 s PRO 66 N -3.84 2.53 0.40 0.00 0.02 -1.26 -4.69 135.00 128.16 5bj3 s PRO 66 Ca 0.36 1.69 0.14 0.00 0.02 0.00 0.00 61.00 63.21 5bj3 s PRO 66 Cb -0.05 -1.89 0.98 0.00 0.02 0.00 0.00 34.50 33.56 5bj3 s PRO 66 CO 0.23 -1.52 1.89 -1.35 -0.33 0.00 0.00 177.00 175.92 5bj3 h PRO 67 N 0.11 0.49 -0.01 5.54 0.11 -1.91 -0.82 132.00 135.51 5bj3 h PRO 67 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 5bj3 h PRO 67 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 5bj3 h PRO 67 CO 0.52 0.33 -0.16 0.00 -0.21 0.00 0.00 178.00 178.47 5bj3 n ALA 68 N -2.49 2.89 0.00 -0.75 0.00 -1.26 -4.71 120.51 114.20 5bj3 n ALA 68 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.20 5bj3 n ALA 68 Cb 0.55 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.84 5bj3 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5bj3 n GLY 69 N 1.28 2.60 3.69 0.00 0.00 -0.31 -0.90 105.19 111.55 5bj3 n GLY 69 Ca 0.15 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 5bj3 n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 5bj3 s ILE 70 N -2.48 2.87 0.41 -0.61 1.10 -1.26 -4.35 121.20 116.87 5bj3 s ILE 70 Ca 0.00 0.34 0.21 0.00 -0.51 0.00 0.00 60.65 60.69 5bj3 s ILE 70 Cb 0.00 -3.22 0.41 0.00 0.15 0.00 0.00 42.46 39.80 5bj3 s ILE 70 CO 0.00 -0.00 1.76 1.55 -2.11 0.00 0.00 174.94 176.14 5bj3 h PRO 71 N 8.39 0.32 -0.68 3.50 0.13 -1.97 0.33 132.00 142.02 5bj3 h PRO 71 Ca -0.44 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 5bj3 h PRO 71 Cb 1.21 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 5bj3 h PRO 71 CO 0.94 0.21 0.33 0.93 -0.23 0.00 0.00 178.00 180.18 5bj3 h GLU 72 N 0.33 0.97 -0.20 0.86 3.07 -2.00 -1.57 114.58 116.04 5bj3 h GLU 72 Ca 0.61 -0.13 -0.21 0.00 -0.50 0.00 0.00 59.36 59.14 5bj3 h GLU 72 Cb 1.67 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 29.40 5bj3 h GLU 72 CO -0.29 0.75 -0.68 1.25 -1.40 0.00 0.00 179.01 178.64 5bj3 h LEU 73 N 0.97 0.94 -1.35 1.33 6.46 -1.31 -2.49 115.31 119.86 5bj3 h LEU 73 Ca 0.24 -0.59 -0.05 0.00 -0.12 0.00 0.00 57.88 57.35 5bj3 h LEU 73 Cb 0.09 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 5bj3 h LEU 73 CO -0.03 1.38 -0.11 0.03 -0.62 0.00 0.00 178.44 179.09 5bj3 h ARG 74 N 0.57 0.30 -0.13 1.25 3.08 -1.10 0.16 114.38 118.50 5bj3 h ARG 74 Ca -0.03 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 5bj3 h ARG 74 Cb 1.30 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 5bj3 h ARG 74 CO 0.14 0.42 -0.08 1.49 -1.07 0.00 0.00 179.97 180.87 5bj3 h GLU 75 N 0.28 0.28 -0.27 0.04 4.81 -1.25 -2.15 114.58 116.33 5bj3 h GLU 75 Ca 0.06 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 5bj3 h GLU 75 Cb 0.37 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 5bj3 h GLU 75 CO 0.02 0.64 -0.05 0.00 -0.73 0.00 0.00 179.01 178.88 5bj3 h ALA 76 N 0.64 1.41 -0.53 2.92 0.00 -1.05 -2.62 119.26 120.03 5bj3 h ALA 76 Ca 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 5bj3 h ALA 76 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 5bj3 h ALA 76 CO 0.02 0.41 -0.01 -0.07 0.00 0.00 0.00 179.25 179.60 5bj3 h LEU 77 N 0.41 0.93 -0.89 0.00 4.07 -0.56 -0.48 115.31 118.78 5bj3 h LEU 77 Ca 0.09 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 57.71 5bj3 h LEU 77 Cb 0.35 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 5bj3 h LEU 77 CO 0.02 1.01 0.46 0.00 -1.08 0.00 0.00 178.44 178.85 5bj3 h ALA 78 N 0.94 1.14 -0.54 1.53 0.00 -1.04 -0.67 119.26 120.63 5bj3 h ALA 78 Ca 0.15 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 5bj3 h ALA 78 Cb 0.55 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 5bj3 h ALA 78 CO 0.03 0.67 -0.13 0.93 0.00 0.00 0.00 179.25 180.75 5bj3 h GLU 79 N 1.25 1.03 0.07 0.00 4.39 -1.21 -2.23 114.58 117.88 5bj3 h GLU 79 Ca 0.31 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 5bj3 h GLU 79 Cb 0.07 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 5bj3 h GLU 79 CO -0.04 1.09 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.64 5bj3 h LYS 80 N 0.91 -0.09 -0.42 2.33 3.11 -0.56 0.12 116.57 121.96 5bj3 h LYS 80 Ca 0.14 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.95 5bj3 h LYS 80 Cb 0.70 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.93 5bj3 h LYS 80 CO 0.05 0.13 0.13 0.74 -2.81 0.00 0.00 179.45 177.70 5bj3 h PHE 81 N -0.31 0.61 -0.01 1.91 0.04 -1.16 -0.25 116.94 117.78 5bj3 h PHE 81 Ca -0.01 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 5bj3 h PHE 81 Cb 0.27 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.23 5bj3 h PHE 81 CO -0.00 0.51 -0.18 -0.09 -0.60 0.00 0.00 178.31 177.94 5bj3 h ARG 82 N 0.60 0.14 0.26 1.51 2.43 -1.32 -1.59 114.38 116.40 5bj3 h ARG 82 Ca 0.14 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 5bj3 h ARG 82 Cb 0.18 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 5bj3 h ARG 82 CO -0.01 0.87 -0.13 -0.09 -1.51 0.00 0.00 179.97 179.10 5bj3 h ARG 83 N -0.54 -0.34 0.00 0.20 2.43 -0.69 -2.05 114.38 113.39 5bj3 h ARG 83 Ca -0.02 0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 5bj3 h ARG 83 Cb 0.92 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 5bj3 h ARG 83 CO 0.04 0.01 -1.09 0.93 -1.51 0.00 0.00 179.97 178.34 5bj3 h GLU 84 N -0.80 0.00 -0.00 0.20 5.08 -1.22 -3.39 114.58 114.45 5bj3 h GLU 84 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 5bj3 h GLU 84 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 5bj3 h GLU 84 CO 0.06 0.84 -0.17 0.09 -1.00 0.00 0.00 179.01 178.82 5bj3 n ASN 85 N -3.27 0.84 -0.99 1.42 5.03 -0.83 -5.01 115.26 112.46 5bj3 n ASN 85 Ca -0.03 -0.92 -0.11 0.00 0.87 0.00 0.00 54.58 54.39 5bj3 n ASN 85 Cb 0.94 0.58 -0.03 0.00 -1.02 0.00 0.00 39.78 40.25 5bj3 n ASN 85 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 5bj3 n GLY 86 N 0.84 0.67 3.74 7.41 0.00 -0.77 -4.59 105.19 112.48 5bj3 n GLY 86 Ca 0.02 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 5bj3 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5bj3 s LEU 87 N -2.71 4.29 -1.09 0.99 1.02 -0.66 -4.72 118.68 115.80 5bj3 s LEU 87 Ca 0.00 0.77 -0.16 0.00 0.02 0.00 0.00 54.13 54.76 5bj3 s LEU 87 Cb 0.00 -2.62 0.15 0.00 0.02 0.00 0.00 46.19 43.74 5bj3 s LEU 87 CO 0.00 0.06 1.32 -0.44 0.02 0.00 0.00 176.35 177.31 5bj3 s SER 88 N 0.38 6.87 0.15 2.29 0.01 -1.26 -3.37 113.70 118.76 5bj3 s SER 88 Ca 0.24 -2.55 0.08 0.00 1.31 0.00 0.00 55.95 55.03 5bj3 s SER 88 Cb -0.15 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 5bj3 s SER 88 CO 0.09 -0.91 -0.19 0.68 0.41 0.00 0.00 173.24 173.33 5bj3 s VAL 89 N 2.23 1.75 0.33 3.43 -7.23 -1.26 -5.11 120.40 114.54 5bj3 s VAL 89 Ca 0.39 -1.80 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 5bj3 s VAL 89 Cb -0.03 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 5bj3 s VAL 89 CO -0.04 -0.26 0.37 0.42 -0.31 0.00 0.00 175.10 175.29 5bj3 s THR 90 N -1.83 3.85 0.45 5.32 -4.23 -1.26 -4.88 115.64 113.05 5bj3 s THR 90 Ca 0.13 -1.19 0.13 0.00 -1.18 0.00 0.00 61.69 59.58 5bj3 s THR 90 Cb -0.07 -3.31 0.30 0.00 1.34 0.00 0.00 72.50 70.76 5bj3 s THR 90 CO 0.06 -0.17 2.04 -0.65 -0.54 0.00 0.00 174.62 175.35 5bj3 h PRO 91 N 1.09 0.34 0.00 3.99 0.11 -1.92 -1.10 132.00 134.51 5bj3 h PRO 91 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 5bj3 h PRO 91 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 5bj3 h PRO 91 CO 0.56 0.23 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 5bj3 n GLU 92 N -4.48 0.06 -0.88 1.05 4.71 -1.26 -1.83 120.64 118.01 5bj3 n GLU 92 Ca 0.05 0.30 -0.07 0.00 -0.01 0.00 0.00 57.16 57.43 5bj3 n GLU 92 Cb 0.23 -1.61 0.22 0.00 -1.01 0.00 0.00 31.44 29.26 5bj3 n GLU 92 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 5bj3 n GLU 93 N -1.73 2.35 -4.23 3.49 1.02 -0.42 -4.81 120.64 116.32 5bj3 n GLU 93 Ca 0.03 -3.08 -0.21 0.00 -0.02 0.00 0.00 57.16 53.88 5bj3 n GLU 93 Cb 0.19 -1.96 -0.12 0.00 -0.02 0.00 0.00 31.44 29.53 5bj3 n GLU 93 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 5bj3 s THR 94 N -3.16 1.41 -0.15 2.62 2.01 -0.76 -2.56 115.64 115.04 5bj3 s THR 94 Ca 0.48 -1.45 -0.13 0.00 0.31 0.00 0.00 61.69 60.90 5bj3 s THR 94 Cb 0.42 -1.33 0.04 0.00 0.01 0.00 0.00 72.50 71.64 5bj3 s THR 94 CO 0.05 -0.17 0.40 -0.51 -0.69 0.00 0.00 174.62 173.71 5bj3 s ILE 95 N -1.30 -0.00 -0.18 1.82 2.07 -0.83 -4.99 121.20 117.79 5bj3 s ILE 95 Ca 0.03 0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.20 5bj3 s ILE 95 Cb -0.10 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 5bj3 s ILE 95 CO 0.03 0.01 0.10 -0.69 -1.91 0.00 0.00 174.94 172.48 5bj3 s VAL 96 N 0.38 5.16 0.35 4.00 1.01 -0.08 -2.12 120.40 129.09 5bj3 s VAL 96 Ca -0.01 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.10 5bj3 s VAL 96 Cb -0.04 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 5bj3 s VAL 96 CO -0.01 0.47 0.07 0.42 0.00 0.00 0.00 175.10 176.05 5bj3 s THR 97 N 0.16 1.07 -1.28 3.92 -4.23 0.10 -4.48 115.64 110.90 5bj3 s THR 97 Ca 0.07 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.41 5bj3 s THR 97 Cb -0.12 -2.68 0.09 0.00 1.34 0.00 0.00 72.50 71.13 5bj3 s THR 97 CO -0.00 0.00 1.69 0.52 -0.54 0.00 0.00 174.62 176.28 5bj3 n VAL 98 N -0.76 4.01 0.00 2.29 0.31 -1.26 -0.57 118.33 122.34 5bj3 n VAL 98 Ca -0.04 -4.22 0.00 0.00 -0.01 0.00 0.00 64.34 60.07 5bj3 n VAL 98 Cb 0.66 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 5bj3 n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 5bj3 n GLY 99 N 5.13 -1.74 0.23 2.92 0.00 -0.98 -3.49 105.19 107.27 5bj3 n GLY 99 Ca 0.47 -1.54 0.09 0.00 0.00 0.00 0.00 46.02 45.04 5bj3 n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 5bj3 h GLY 100 N 0.00 0.00 0.98 -0.02 0.00 -1.80 -2.86 103.07 99.36 5bj3 h GLY 100 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 5bj3 h GLY 100 CO 0.00 0.00 0.49 1.48 0.00 0.00 0.00 176.54 178.51 5bj3 h SER 101 N 0.00 0.84 0.88 0.19 4.64 -1.93 -1.68 113.55 116.49 5bj3 h SER 101 Ca -0.00 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 5bj3 h SER 101 Cb 0.46 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 5bj3 h SER 101 CO 0.03 0.60 -0.31 -0.61 -0.87 0.00 0.00 176.83 175.67 5bj3 h GLN 102 N 0.99 0.00 -0.38 4.77 4.15 -1.54 -0.63 115.11 122.47 5bj3 h GLN 102 Ca 0.28 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.65 5bj3 h GLN 102 Cb -0.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 5bj3 h GLN 102 CO -0.07 0.31 0.03 0.00 -1.93 0.00 0.00 178.83 177.18 5bj3 h ALA 103 N 1.69 0.51 -0.31 3.38 0.00 -1.31 -0.06 119.26 123.16 5bj3 h ALA 103 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 5bj3 h ALA 103 Cb 0.84 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 5bj3 h ALA 103 CO 0.04 0.25 -0.07 -0.07 0.00 0.00 0.00 179.25 179.39 5bj3 h LEU 104 N 0.48 0.60 0.06 0.00 3.38 -1.07 -1.89 115.31 116.88 5bj3 h LEU 104 Ca 0.11 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 5bj3 h LEU 104 Cb 0.41 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.00 5bj3 h LEU 104 CO 0.01 0.83 -0.03 0.15 0.09 0.00 0.00 178.44 179.49 5bj3 h PHE 105 N 0.37 -0.08 -0.58 1.13 3.57 -1.02 -1.90 116.94 118.43 5bj3 h PHE 105 Ca 0.08 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 5bj3 h PHE 105 Cb 0.56 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 5bj3 h PHE 105 CO 0.05 -0.01 0.23 -0.91 -2.23 0.00 0.00 178.31 175.45 5bj3 h ASN 106 N -0.13 0.77 0.29 0.41 4.21 -1.03 -2.00 115.58 118.10 5bj3 h ASN 106 Ca -0.01 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 5bj3 h ASN 106 Cb 0.10 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 5bj3 h ASN 106 CO 0.01 0.69 -0.14 0.25 -1.29 0.00 0.00 177.43 176.96 5bj3 h LEU 107 N 0.83 -0.33 -1.37 1.61 6.46 -1.08 -0.52 115.31 120.93 5bj3 h LEU 107 Ca 0.20 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.92 5bj3 h LEU 107 Cb 0.16 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 5bj3 h LEU 107 CO -0.02 -0.22 -0.09 -0.26 -0.62 0.00 0.00 178.44 177.23 5bj3 h PHE 108 N -0.39 0.33 0.00 1.25 0.04 -1.20 -1.18 116.94 115.78 5bj3 h PHE 108 Ca -0.04 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 5bj3 h PHE 108 Cb 0.30 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 5bj3 h PHE 108 CO -0.05 0.41 -0.38 1.96 -0.60 0.00 0.00 178.31 179.64 5bj3 h GLN 109 N 0.30 0.00 0.00 1.51 1.08 -1.12 -1.74 115.11 115.14 5bj3 h GLN 109 Ca 0.06 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 5bj3 h GLN 109 Cb 0.35 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 5bj3 h GLN 109 CO 0.02 0.38 -0.85 0.00 -0.95 0.00 0.00 178.83 177.43 5bj3 h ALA 110 N 1.62 0.60 0.00 3.87 0.00 -0.04 -3.40 119.26 121.90 5bj3 h ALA 110 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 5bj3 h ALA 110 Cb 0.91 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 5bj3 h ALA 110 CO 0.05 0.08 -0.16 0.44 0.00 0.00 0.00 179.25 179.66 5bj3 n ILE 111 N -2.78 0.00 -3.94 0.00 -5.35 -0.55 -5.03 119.36 101.72 5bj3 n ILE 111 Ca 0.00 -0.42 -0.35 0.00 -0.27 0.00 0.00 62.75 61.71 5bj3 n ILE 111 Cb 0.57 0.94 -0.09 0.00 -1.74 0.00 0.00 39.64 39.32 5bj3 n ILE 111 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 5bj3 s LEU 112 N -2.16 3.96 0.10 7.28 1.43 -0.66 -5.06 118.68 123.56 5bj3 s LEU 112 Ca 0.00 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 5bj3 s LEU 112 Cb 0.01 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 5bj3 s LEU 112 CO 0.03 0.21 -0.03 -1.81 0.23 0.00 0.00 176.35 174.98 5bj3 s ASP 113 N 0.19 4.84 0.05 2.29 1.01 -1.26 -4.87 116.67 118.91 5bj3 s ASP 113 Ca 0.06 -0.25 -0.34 0.00 0.71 0.00 0.00 52.55 52.73 5bj3 s ASP 113 Cb -0.12 -1.09 -0.13 0.00 1.01 0.00 0.00 42.92 42.59 5bj3 s ASP 113 CO -0.00 0.17 1.68 -0.81 0.21 0.00 0.00 175.17 176.42 5bj3 n PRO 114 N 0.55 2.07 0.00 8.23 -0.04 -1.26 -1.73 135.00 142.82 5bj3 n PRO 114 Ca -0.11 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 5bj3 n PRO 114 Cb 0.52 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 5bj3 n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 5bj3 n GLY 115 N 3.76 1.33 3.77 0.55 0.00 0.03 -4.98 105.19 109.65 5bj3 n GLY 115 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 5bj3 n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 5bj3 n ASP 116 N 0.00 3.79 -4.91 1.61 8.00 -0.70 -4.49 116.55 119.85 5bj3 n ASP 116 Ca 0.00 1.21 -0.32 0.00 0.71 0.00 0.00 54.79 56.39 5bj3 n ASP 116 Cb 0.00 -1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 39.44 5bj3 n ASP 116 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 5bj3 s GLU 117 N -1.80 3.50 -0.08 -1.24 2.02 -0.34 -0.02 118.70 120.74 5bj3 s GLU 117 Ca 0.55 -0.30 -0.00 0.00 0.02 0.00 0.00 54.97 55.24 5bj3 s GLU 117 Cb -0.48 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 30.77 5bj3 s GLU 117 CO 0.61 0.59 -0.04 0.08 0.02 0.00 0.00 175.26 176.51 5bj3 s VAL 118 N -1.50 0.67 -0.07 2.63 1.01 -0.30 -0.42 120.40 122.43 5bj3 s VAL 118 Ca 0.35 -0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 5bj3 s VAL 118 Cb -0.13 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 5bj3 s VAL 118 CO 0.25 0.29 0.88 -0.63 0.00 0.00 0.00 175.10 175.89 5bj3 s ILE 119 N 1.55 4.91 -0.08 2.22 1.01 -0.33 -0.92 121.20 129.55 5bj3 s ILE 119 Ca -0.00 1.80 0.04 0.00 0.00 0.00 0.00 60.65 62.48 5bj3 s ILE 119 Cb -0.13 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.14 5bj3 s ILE 119 CO -0.04 0.14 -0.20 -0.69 0.00 0.00 0.00 174.94 174.15 5bj3 s VAL 120 N 1.31 1.74 -0.29 2.92 1.01 -0.30 -1.53 120.40 125.26 5bj3 s VAL 120 Ca 0.45 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 5bj3 s VAL 120 Cb -0.19 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 5bj3 s VAL 120 CO 0.21 0.49 0.68 -0.76 0.00 0.00 0.00 175.10 175.71 5bj3 s LEU 121 N 0.41 4.11 0.09 3.92 1.43 -1.26 -0.77 118.68 126.60 5bj3 s LEU 121 Ca -0.16 0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 5bj3 s LEU 121 Cb -0.17 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.09 5bj3 s LEU 121 CO 0.07 -0.48 0.41 -0.94 0.23 0.00 0.00 176.35 175.63 5bj3 s SER 122 N 1.57 6.63 0.37 2.29 1.04 -0.45 -3.49 113.70 121.66 5bj3 s SER 122 Ca 0.28 0.79 -0.27 0.00 0.48 0.00 0.00 55.95 57.22 5bj3 s SER 122 Cb -0.15 -2.18 -0.10 0.00 0.10 0.00 0.00 66.02 63.70 5bj3 s SER 122 CO 0.11 0.15 1.33 -2.84 0.98 0.00 0.00 173.24 172.97 5bj3 s PRO 123 N -2.00 4.14 0.29 4.02 0.02 -1.26 -1.06 135.00 139.15 5bj3 s PRO 123 Ca 0.34 2.23 0.07 0.00 0.02 0.00 0.00 61.00 63.66 5bj3 s PRO 123 Cb -0.14 -2.91 -0.06 0.00 0.02 0.00 0.00 34.50 31.42 5bj3 s PRO 123 CO 0.19 -0.37 -0.07 1.52 -0.33 0.00 0.00 177.00 177.93 5bj3 s TYR 124 N -1.20 2.06 0.05 6.54 -0.85 -0.14 -4.66 117.35 119.16 5bj3 s TYR 124 Ca 0.53 -0.64 -0.31 0.00 -0.52 0.00 0.00 57.07 56.13 5bj3 s TYR 124 Cb -0.40 -1.17 -0.07 0.00 0.38 0.00 0.00 41.96 40.70 5bj3 s TYR 124 CO 0.52 0.36 1.42 -0.46 -1.52 0.00 0.00 175.55 175.88 5bj3 s TRP 125 N -2.91 2.94 0.31 -3.49 -0.00 -1.22 -4.41 118.94 110.16 5bj3 s TRP 125 Ca 0.30 0.81 0.12 0.00 -0.00 0.00 0.00 56.10 57.33 5bj3 s TRP 125 Cb 0.03 -3.70 0.99 0.00 -0.00 0.00 0.00 33.47 30.79 5bj3 s TRP 125 CO 0.13 -2.58 1.38 0.28 -0.00 0.00 0.00 176.95 176.16 5bj3 n VAL 126 N 4.41 -0.37 0.22 5.86 0.31 -1.26 -1.88 118.33 125.62 5bj3 n VAL 126 Ca 0.13 1.84 0.08 0.00 -0.01 0.00 0.00 64.34 66.38 5bj3 n VAL 126 Cb 0.43 -2.87 0.47 0.00 -0.91 0.00 0.00 33.84 30.96 5bj3 n VAL 126 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 5bj3 h SER 127 N 0.00 0.00 0.13 4.52 0.02 -1.92 -3.36 113.55 112.95 5bj3 h SER 127 Ca 0.66 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.63 5bj3 h SER 127 Cb 1.64 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.13 5bj3 h SER 127 CO -0.73 0.27 -0.49 1.88 -1.14 0.00 0.00 176.83 176.62 5bj3 h TYR 128 N 0.00 -1.40 -0.28 3.45 0.05 -1.77 -1.41 116.97 115.61 5bj3 h TYR 128 Ca -0.00 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 5bj3 h TYR 128 Cb 0.67 0.60 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 5bj3 h TYR 128 CO 0.00 -0.57 0.09 -1.00 -1.05 0.00 0.00 178.16 175.63 5bj3 h PRO 129 N -0.73 0.39 0.19 4.88 0.13 -1.79 -1.89 132.00 133.18 5bj3 h PRO 129 Ca 0.00 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 5bj3 h PRO 129 Cb 0.74 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.80 5bj3 h PRO 129 CO -0.27 0.35 -0.09 0.93 -0.23 0.00 0.00 178.00 178.68 5bj3 h GLU 130 N 0.39 -0.25 -0.69 0.86 4.39 -1.61 -1.33 114.58 116.34 5bj3 h GLU 130 Ca 0.10 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 5bj3 h GLU 130 Cb 0.12 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 5bj3 h GLU 130 CO -0.01 -0.17 0.26 0.52 -1.16 0.00 0.00 179.01 178.45 5bj3 h MET 131 N -0.26 1.03 0.12 2.33 2.86 -1.08 -1.70 114.93 118.23 5bj3 h MET 131 Ca -0.03 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 5bj3 h MET 131 Cb 0.20 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.69 5bj3 h MET 131 CO 0.04 0.85 -0.06 0.28 1.06 0.00 0.00 176.91 179.09 5bj3 h VAL 132 N 1.01 0.98 -0.39 -2.22 2.07 -1.15 -3.08 116.25 113.47 5bj3 h VAL 132 Ca 0.23 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 5bj3 h VAL 132 Cb 0.22 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 5bj3 h VAL 132 CO -0.02 0.09 -0.00 0.03 0.02 0.00 0.00 177.57 177.69 5bj3 h ARG 133 N -0.32 0.61 0.00 1.57 3.08 -1.17 -1.43 114.38 116.72 5bj3 h ARG 133 Ca -0.02 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 5bj3 h ARG 133 Cb 0.26 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 5bj3 h ARG 133 CO 0.03 0.63 -0.04 0.35 -1.07 0.00 0.00 179.97 179.87 5bj3 h PHE 134 N 0.58 0.00 -0.02 3.04 3.57 -1.26 0.03 116.94 122.88 5bj3 h PHE 134 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 5bj3 h PHE 134 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 5bj3 h PHE 134 CO 0.02 0.04 -0.12 0.00 -2.23 0.00 0.00 178.31 176.02 5bj3 n ALA 135 N -2.36 2.79 -0.24 2.41 0.00 -0.92 -4.93 120.51 117.26 5bj3 n ALA 135 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.91 5bj3 n ALA 135 Cb 0.13 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.53 5bj3 n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5bj3 n GLY 136 N 1.28 0.76 3.88 0.00 0.00 -0.00 -4.19 105.19 106.92 5bj3 n GLY 136 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 5bj3 n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 5bj3 s GLY 137 N -1.66 1.63 -0.19 -0.02 0.00 -0.59 -0.79 107.32 105.71 5bj3 s GLY 137 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 5bj3 s GLY 137 CO 0.00 0.02 -0.02 0.14 0.00 0.00 0.00 173.10 173.24 5bj3 s VAL 138 N -3.35 3.83 -0.27 1.40 1.01 0.97 -4.08 120.40 119.90 5bj3 s VAL 138 Ca 0.58 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 5bj3 s VAL 138 Cb -0.11 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.56 5bj3 s VAL 138 CO 0.52 0.45 0.92 -0.69 0.00 0.00 0.00 175.10 176.30 5bj3 s VAL 139 N 0.84 4.72 -0.42 2.92 1.01 -1.26 -1.14 120.40 127.06 5bj3 s VAL 139 Ca -0.00 1.61 -0.06 0.00 0.00 0.00 0.00 61.98 63.52 5bj3 s VAL 139 Cb -0.14 -4.23 0.10 0.00 0.00 0.00 0.00 36.38 32.10 5bj3 s VAL 139 CO 0.02 -0.23 0.23 -0.69 0.00 0.00 0.00 175.10 174.43 5bj3 s VAL 140 N 3.13 3.77 -0.13 2.92 1.01 -0.10 -4.95 120.40 126.06 5bj3 s VAL 140 Ca 0.39 -1.72 -0.26 0.00 0.00 0.00 0.00 61.98 60.39 5bj3 s VAL 140 Cb -0.14 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 5bj3 s VAL 140 CO 0.10 -0.59 0.83 -0.70 0.00 0.00 0.00 175.10 174.73 5bj3 s GLU 141 N 1.29 4.36 -0.19 2.72 2.12 -1.26 -1.15 118.70 126.59 5bj3 s GLU 141 Ca 0.05 1.04 -0.02 0.00 0.36 0.00 0.00 54.97 56.40 5bj3 s GLU 141 Cb -0.23 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 5bj3 s GLU 141 CO -0.01 -0.21 -0.08 0.08 -0.54 0.00 0.00 175.26 174.50 5bj3 s VAL 142 N 1.73 3.17 0.34 3.70 1.01 0.05 -4.94 120.40 125.46 5bj3 s VAL 142 Ca 0.40 -0.58 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 5bj3 s VAL 142 Cb -0.17 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.71 5bj3 s VAL 142 CO 0.15 0.46 1.06 -0.70 0.00 0.00 0.00 175.10 176.08 5bj3 s GLU 143 N 1.14 4.40 -0.10 2.72 2.12 -1.26 -1.34 118.70 126.38 5bj3 s GLU 143 Ca 0.01 1.63 0.03 0.00 0.36 0.00 0.00 54.97 57.00 5bj3 s GLU 143 Cb -0.14 -2.86 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 5bj3 s GLU 143 CO -0.02 0.05 -0.19 0.99 -0.54 0.00 0.00 175.26 175.54 5bj3 s THR 144 N -1.42 2.53 -0.07 -1.70 2.01 -0.23 -4.84 115.64 111.92 5bj3 s THR 144 Ca 0.51 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.56 5bj3 s THR 144 Cb -0.26 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 5bj3 s THR 144 CO 0.33 0.55 0.22 -0.76 -0.69 0.00 0.00 174.62 174.28 5bj3 s LEU 145 N 0.12 4.41 0.16 4.42 1.43 -1.26 -4.60 118.68 123.36 5bj3 s LEU 145 Ca -0.10 0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 5bj3 s LEU 145 Cb -0.16 -2.29 0.06 0.00 0.03 0.00 0.00 46.19 43.83 5bj3 s LEU 145 CO 0.06 0.36 1.79 -0.65 0.23 0.00 0.00 176.35 178.14 5bj3 h PRO 146 N 4.75 0.45 0.00 1.29 0.11 -1.97 0.70 132.00 137.33 5bj3 h PRO 146 Ca -0.53 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.55 5bj3 h PRO 146 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 5bj3 h PRO 146 CO 0.60 0.30 0.00 1.05 -0.21 0.00 0.00 178.00 179.74 5bj3 h GLU 147 N 0.46 0.00 -0.52 1.05 9.09 -2.02 0.03 114.58 122.68 5bj3 h GLU 147 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 5bj3 h GLU 147 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 5bj3 h GLU 147 CO -0.10 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.35 5bj3 n GLU 148 N -2.57 3.88 -1.21 1.06 1.02 -0.38 -4.92 120.64 117.52 5bj3 n GLU 148 Ca -0.01 -2.91 -0.07 0.00 -0.02 0.00 0.00 57.16 54.16 5bj3 n GLU 148 Cb 0.14 -1.96 -0.03 0.00 -0.02 0.00 0.00 31.44 29.57 5bj3 n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 5bj3 n GLY 149 N 0.57 0.85 2.34 0.62 0.00 -0.00 -2.73 105.19 106.84 5bj3 n GLY 149 Ca 0.24 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 5bj3 n GLY 149 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 5bj3 n PHE 150 N -2.54 -0.32 -3.67 1.61 3.72 0.10 -4.81 117.46 111.54 5bj3 n PHE 150 Ca -0.07 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.97 5bj3 n PHE 150 Cb 0.36 -2.74 -0.07 0.00 -0.94 0.00 0.00 39.48 36.08 5bj3 n PHE 150 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 5bj3 s VAL 151 N -2.61 5.37 0.59 -4.37 1.01 -1.10 -4.86 120.40 114.43 5bj3 s VAL 151 Ca 0.00 0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 5bj3 s VAL 151 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 5bj3 s VAL 151 CO 0.00 0.45 1.24 -2.16 0.00 0.00 0.00 175.10 174.62 5bj3 s PRO 152 N 0.16 2.93 -0.38 2.72 0.04 -1.26 -4.67 135.00 134.55 5bj3 s PRO 152 Ca 0.13 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 5bj3 s PRO 152 Cb -0.12 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.49 5bj3 s PRO 152 CO 0.02 -1.26 0.22 0.34 0.04 0.00 0.00 177.00 176.35 5bj3 s ASP 153 N -1.49 5.77 0.52 6.66 -1.08 -1.26 -4.97 116.67 120.82 5bj3 s ASP 153 Ca 0.78 -0.98 0.31 0.00 -0.52 0.00 0.00 52.55 52.14 5bj3 s ASP 153 Cb -0.33 -2.04 1.45 0.00 -1.46 0.00 0.00 42.92 40.55 5bj3 s ASP 153 CO 0.35 -0.39 1.86 -0.65 0.52 0.00 0.00 175.17 176.86 5bj3 h PRO 154 N 8.45 0.05 -0.43 4.34 0.11 -1.94 -0.29 132.00 142.29 5bj3 h PRO 154 Ca -0.26 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.77 5bj3 h PRO 154 Cb 1.11 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 5bj3 h PRO 154 CO 0.67 0.03 -0.06 1.49 -0.21 0.00 0.00 178.00 179.93 5bj3 h GLU 155 N 0.05 0.80 -0.71 1.05 4.57 -1.99 0.54 114.58 118.90 5bj3 h GLU 155 Ca 0.48 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 5bj3 h GLU 155 Cb 1.82 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 30.33 5bj3 h GLU 155 CO -0.04 0.90 0.16 0.00 -1.18 0.00 0.00 179.01 178.86 5bj3 h ARG 156 N 0.63 1.14 -0.65 1.92 3.08 -1.49 -2.52 114.38 116.50 5bj3 h ARG 156 Ca 0.12 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 5bj3 h ARG 156 Cb 0.57 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 5bj3 h ARG 156 CO 0.03 1.01 0.11 0.28 -1.07 0.00 0.00 179.97 180.34 5bj3 h VAL 157 N 1.08 1.26 -0.69 2.04 2.07 -1.22 -2.76 116.25 118.02 5bj3 h VAL 157 Ca 0.22 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.78 5bj3 h VAL 157 Cb 0.39 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 5bj3 h VAL 157 CO 0.00 0.38 0.46 -0.09 0.02 0.00 0.00 177.57 178.34 5bj3 h ARG 158 N 0.99 0.73 0.00 1.57 2.43 -0.49 -2.01 114.38 117.61 5bj3 h ARG 158 Ca 0.20 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 5bj3 h ARG 158 Cb 0.43 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 5bj3 h ARG 158 CO 0.01 0.48 -0.30 0.00 -1.51 0.00 0.00 179.97 178.66 5bj3 h ARG 159 N 0.75 0.00 -0.00 0.20 3.08 -1.16 -3.00 114.38 114.25 5bj3 h ARG 159 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 5bj3 h ARG 159 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 5bj3 h ARG 159 CO -0.09 0.30 -0.19 0.00 -1.07 0.00 0.00 179.97 178.92 5bj3 n ALA 160 N -2.32 2.82 -2.04 0.04 0.00 -0.76 -4.88 120.51 113.38 5bj3 n ALA 160 Ca -0.01 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 5bj3 n ALA 160 Cb 0.41 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 5bj3 n ALA 160 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 5bj3 s ILE 161 N -2.92 3.43 0.28 0.00 1.01 -1.14 -4.99 121.20 116.87 5bj3 s ILE 161 Ca 0.15 1.19 0.03 0.00 0.00 0.00 0.00 60.65 62.02 5bj3 s ILE 161 Cb 0.19 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 5bj3 s ILE 161 CO 0.58 0.19 0.16 0.42 0.00 0.00 0.00 174.94 176.29 5bj3 s THR 162 N 0.01 0.23 -0.75 2.92 -4.23 -1.26 -5.02 115.64 107.53 5bj3 s THR 162 Ca 0.54 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.18 5bj3 s THR 162 Cb -0.34 -2.52 0.13 0.00 1.34 0.00 0.00 72.50 71.11 5bj3 s THR 162 CO 0.37 0.00 1.41 -2.65 -0.54 0.00 0.00 174.62 173.21 5bj3 n PRO 163 N -0.50 0.06 0.00 3.99 -0.02 -1.26 -1.97 135.00 135.30 5bj3 n PRO 163 Ca 0.02 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 5bj3 n PRO 163 Cb 0.65 -1.66 0.12 0.00 -0.02 0.00 0.00 33.50 32.60 5bj3 n PRO 163 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 5bj3 n ARG 164 N -1.78 1.11 -1.77 -0.52 1.74 -1.26 -4.94 116.66 109.23 5bj3 n ARG 164 Ca 0.01 -0.85 -0.42 0.00 -0.77 0.00 0.00 57.85 55.82 5bj3 n ARG 164 Cb 0.11 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 5bj3 n ARG 164 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 5bj3 s THR 165 N -2.48 3.19 -0.17 0.55 2.01 -0.83 -1.20 115.64 116.71 5bj3 s THR 165 Ca 0.21 0.23 0.14 0.00 0.31 0.00 0.00 61.69 62.57 5bj3 s THR 165 Cb 0.18 -3.16 -0.20 0.00 0.01 0.00 0.00 72.50 69.33 5bj3 s THR 165 CO 0.55 -0.03 0.03 0.29 -0.69 0.00 0.00 174.62 174.77 5bj3 n LYS 166 N 7.55 1.15 -3.50 4.92 4.76 0.44 -4.78 118.16 128.69 5bj3 n LYS 166 Ca 0.20 0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.54 5bj3 n LYS 166 Cb 0.42 -1.44 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 5bj3 n LYS 166 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 5bj3 s ALA 167 N -2.41 -1.45 -0.07 7.82 0.00 -1.19 -1.49 121.76 122.97 5bj3 s ALA 167 Ca -0.11 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.18 5bj3 s ALA 167 Cb 0.05 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.05 5bj3 s ALA 167 CO 0.67 -0.78 -0.09 -1.17 0.00 0.00 0.00 175.76 174.39 5bj3 s LEU 168 N -2.78 1.43 -0.23 0.00 2.96 -0.31 -1.19 118.68 118.56 5bj3 s LEU 168 Ca 0.03 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.58 5bj3 s LEU 168 Cb -0.01 -0.72 -0.05 0.00 0.50 0.00 0.00 46.19 45.91 5bj3 s LEU 168 CO -0.10 -0.03 0.16 -0.69 -1.32 0.00 0.00 176.35 174.37 5bj3 s VAL 169 N 0.99 5.36 -0.05 1.68 1.01 -0.58 -0.66 120.40 128.16 5bj3 s VAL 169 Ca -0.09 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.14 5bj3 s VAL 169 Cb -0.15 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 5bj3 s VAL 169 CO -0.00 0.35 -0.22 -0.69 0.00 0.00 0.00 175.10 174.54 5bj3 s VAL 170 N 0.99 1.80 -0.25 2.92 1.01 0.36 -4.22 120.40 123.01 5bj3 s VAL 170 Ca 0.08 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 5bj3 s VAL 170 Cb -0.13 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.79 5bj3 s VAL 170 CO 0.04 0.51 0.07 0.21 0.00 0.00 0.00 175.10 175.93 5bj3 s ASN 171 N -0.09 3.36 -0.10 3.32 3.04 -1.26 -0.39 114.94 122.82 5bj3 s ASN 171 Ca -0.03 -1.16 -0.04 0.00 0.04 0.00 0.00 52.86 51.66 5bj3 s ASN 171 Cb -0.13 -0.63 0.05 0.00 -1.54 0.00 0.00 41.25 39.00 5bj3 s ASN 171 CO 0.03 -0.37 0.22 -0.55 -3.04 0.00 0.00 177.10 173.39 5bj3 s SER 172 N 1.83 0.11 0.39 -4.21 0.15 -1.20 -3.11 113.70 107.67 5bj3 s SER 172 Ca 0.04 0.47 -0.27 0.00 0.70 0.00 0.00 55.95 56.89 5bj3 s SER 172 Cb -0.17 0.42 -0.11 0.00 -1.71 0.00 0.00 66.02 64.46 5bj3 s SER 172 CO -0.18 -0.20 1.34 -2.65 1.20 0.00 0.00 173.24 172.75 5bj3 n PRO 173 N 4.73 2.19 -3.13 5.44 -0.02 -1.26 -4.62 135.00 138.32 5bj3 n PRO 173 Ca -0.17 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 5bj3 n PRO 173 Cb 0.51 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 5bj3 n PRO 173 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 5bj3 s ASN 174 N -0.37 7.02 -0.14 2.55 3.84 -0.10 -4.66 114.94 123.07 5bj3 s ASN 174 Ca 0.58 1.38 0.02 0.00 0.21 0.00 0.00 52.86 55.05 5bj3 s ASN 174 Cb -0.51 -2.40 0.01 0.00 -0.55 0.00 0.00 41.25 37.80 5bj3 s ASN 174 CO 0.60 0.02 -0.21 0.21 -2.79 0.00 0.00 177.10 174.94 5bj3 s ASN 175 N -1.70 3.02 0.00 -4.21 3.84 -1.26 -0.56 114.94 114.06 5bj3 s ASN 175 Ca 0.43 -0.58 0.22 0.00 0.21 0.00 0.00 52.86 53.14 5bj3 s ASN 175 Cb -0.16 -1.40 0.54 0.00 -0.55 0.00 0.00 41.25 39.68 5bj3 s ASN 175 CO 0.21 0.07 1.45 -0.81 -2.79 0.00 0.00 177.10 175.23 5bj3 n PRO 176 N 4.08 2.19 0.09 0.43 -0.04 -1.26 -3.41 135.00 137.08 5bj3 n PRO 176 Ca -0.20 -1.80 -0.09 0.00 -0.04 0.00 0.00 63.50 61.37 5bj3 n PRO 176 Cb 0.51 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 5bj3 n PRO 176 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 5bj3 h THR 177 N 3.59 1.53 0.00 0.52 1.35 -1.89 -3.36 112.91 114.64 5bj3 h THR 177 Ca 0.00 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 5bj3 h THR 177 Cb 0.79 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 5bj3 h THR 177 CO 0.00 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 5bj3 n GLY 178 N 1.01 0.78 3.79 5.82 0.00 0.27 -4.52 105.19 112.34 5bj3 n GLY 178 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 5bj3 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5bj3 s ALA 179 N -2.92 2.87 -0.20 4.61 0.00 -1.26 -0.82 121.76 124.04 5bj3 s ALA 179 Ca 0.00 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.69 5bj3 s ALA 179 Cb 0.00 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.85 5bj3 s ALA 179 CO 0.00 -0.46 -0.17 0.08 0.00 0.00 0.00 175.76 175.21 5bj3 s VAL 180 N -1.82 2.02 0.09 0.00 1.01 -1.26 -0.93 120.40 119.51 5bj3 s VAL 180 Ca 0.67 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 5bj3 s VAL 180 Cb -0.21 -1.92 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 5bj3 s VAL 180 CO 0.25 0.37 1.15 -0.31 0.00 0.00 0.00 175.10 176.55 5bj3 s TYR 181 N 1.27 3.51 0.53 5.22 2.02 -1.26 -5.01 117.35 123.62 5bj3 s TYR 181 Ca 0.01 1.44 -0.20 0.00 -0.37 0.00 0.00 57.07 57.94 5bj3 s TYR 181 Cb -0.15 -3.34 -0.06 0.00 -0.40 0.00 0.00 41.96 38.01 5bj3 s TYR 181 CO -0.11 -0.94 1.16 -1.25 -1.57 0.00 0.00 175.55 172.85 5bj3 s PRO 182 N 0.61 3.39 0.32 -1.71 0.04 -1.26 -4.81 135.00 131.57 5bj3 s PRO 182 Ca 0.55 1.73 0.09 0.00 0.04 0.00 0.00 61.00 63.40 5bj3 s PRO 182 Cb -0.29 -2.11 0.94 0.00 0.04 0.00 0.00 34.50 33.08 5bj3 s PRO 182 CO 0.31 -0.85 1.63 -0.22 0.04 0.00 0.00 177.00 177.91 5bj3 h LYS 183 N 1.39 0.16 -0.79 4.56 3.64 -1.95 -0.61 116.57 122.98 5bj3 h LYS 183 Ca -0.50 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 5bj3 h LYS 183 Cb 1.27 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 5bj3 h LYS 183 CO 0.57 0.11 0.49 0.93 -2.27 0.00 0.00 179.45 179.28 5bj3 h GLU 184 N 0.17 0.89 -0.17 1.90 3.07 -1.99 -0.18 114.58 118.26 5bj3 h GLU 184 Ca 0.66 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.42 5bj3 h GLU 184 Cb 1.49 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 29.20 5bj3 h GLU 184 CO -0.71 0.59 -0.08 0.28 -1.40 0.00 0.00 179.01 177.69 5bj3 h VAL 185 N 0.92 1.31 -0.90 3.13 2.07 -1.48 -1.72 116.25 119.57 5bj3 h VAL 185 Ca 0.33 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.77 5bj3 h VAL 185 Cb 0.11 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 5bj3 h VAL 185 CO -0.15 0.33 0.59 -0.07 0.02 0.00 0.00 177.57 178.30 5bj3 h LEU 186 N 0.03 0.98 -0.50 2.57 4.07 -1.09 -0.67 115.31 120.71 5bj3 h LEU 186 Ca 0.04 -0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.85 5bj3 h LEU 186 Cb 0.55 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 5bj3 h LEU 186 CO 0.02 0.68 -0.29 -0.33 -1.08 0.00 0.00 178.44 177.44 5bj3 h GLU 187 N 1.14 0.92 -0.54 1.13 5.08 -0.98 -1.46 114.58 119.88 5bj3 h GLU 187 Ca 0.36 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 5bj3 h GLU 187 Cb -0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 5bj3 h GLU 187 CO -0.10 1.08 0.25 0.00 -1.00 0.00 0.00 179.01 179.24 5bj3 h ALA 188 N 0.88 0.70 -0.42 3.43 0.00 -0.50 -0.83 119.26 122.51 5bj3 h ALA 188 Ca 0.09 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 5bj3 h ALA 188 Cb 0.86 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 5bj3 h ALA 188 CO 0.08 0.27 -0.17 -0.07 0.00 0.00 0.00 179.25 179.35 5bj3 h LEU 189 N 0.73 0.80 -0.93 0.00 3.38 -1.05 -2.30 115.31 115.94 5bj3 h LEU 189 Ca 0.18 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 5bj3 h LEU 189 Cb 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 5bj3 h LEU 189 CO -0.02 0.97 -0.12 0.00 0.09 0.00 0.00 178.44 179.35 5bj3 h ALA 190 N 1.10 1.10 -0.62 1.53 0.00 -0.96 -2.75 119.26 118.65 5bj3 h ALA 190 Ca 0.11 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 5bj3 h ALA 190 Cb 0.68 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 5bj3 h ALA 190 CO 0.05 0.56 0.02 0.00 0.00 0.00 0.00 179.25 179.88 5bj3 h ARG 191 N 0.59 1.08 -0.62 0.00 3.08 -0.86 -2.59 114.38 115.07 5bj3 h ARG 191 Ca 0.10 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.82 5bj3 h ARG 191 Cb 0.55 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 5bj3 h ARG 191 CO 0.03 1.04 0.39 -0.07 -1.07 0.00 0.00 179.97 180.29 5bj3 h LEU 192 N 0.99 0.73 -0.55 3.04 3.38 -1.15 0.18 115.31 121.93 5bj3 h LEU 192 Ca 0.18 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 5bj3 h LEU 192 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 5bj3 h LEU 192 CO 0.03 0.54 -0.10 0.00 0.09 0.00 0.00 178.44 179.01 5bj3 h ALA 193 N 1.58 0.75 -0.04 1.53 0.00 -1.23 0.21 119.26 122.06 5bj3 h ALA 193 Ca 0.23 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 5bj3 h ALA 193 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.53 5bj3 h ALA 193 CO -0.05 0.66 -0.07 0.28 0.00 0.00 0.00 179.25 180.07 5bj3 h VAL 194 N 0.92 1.43 -0.55 0.00 2.07 -1.06 0.74 116.25 119.79 5bj3 h VAL 194 Ca 0.14 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.37 5bj3 h VAL 194 Cb 0.67 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 5bj3 h VAL 194 CO 0.05 0.37 0.21 -0.08 0.02 0.00 0.00 177.57 178.14 5bj3 h GLU 195 N -0.39 0.39 -0.27 1.57 4.81 -0.61 -2.78 114.58 117.29 5bj3 h GLU 195 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 5bj3 h GLU 195 Cb 0.64 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.93 5bj3 h GLU 195 CO 0.02 0.26 0.00 0.72 -0.73 0.00 0.00 179.01 179.27 5bj3 n HIS 196 N -4.99 0.34 -3.17 0.92 8.25 0.05 -5.02 115.22 111.61 5bj3 n HIS 196 Ca 0.07 -0.18 -0.09 0.00 -0.26 0.00 0.00 57.72 57.26 5bj3 n HIS 196 Cb 0.22 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.37 5bj3 n HIS 196 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 5bj3 n ASP 197 N 1.37 -7.12 -4.00 0.41 2.03 0.09 -5.03 116.55 104.31 5bj3 n ASP 197 Ca 0.17 -0.44 -0.13 0.00 0.52 0.00 0.00 54.79 54.91 5bj3 n ASP 197 Cb 0.58 -5.25 -0.09 0.00 -0.72 0.00 0.00 41.12 35.64 5bj3 n ASP 197 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 5bj3 s PHE 198 N -3.23 1.15 0.16 -0.67 -0.12 -0.27 -4.98 117.98 110.02 5bj3 s PHE 198 Ca 0.27 -1.34 -0.20 0.00 -0.05 0.00 0.00 56.93 55.61 5bj3 s PHE 198 Cb -0.04 -0.47 -0.08 0.00 -0.63 0.00 0.00 43.02 41.81 5bj3 s PHE 198 CO 0.74 -0.74 0.67 0.71 -0.05 0.00 0.00 175.22 176.55 5bj3 s TYR 199 N -3.98 3.74 -0.31 3.49 2.02 -0.55 -4.64 117.35 117.12 5bj3 s TYR 199 Ca 0.37 1.36 -0.05 0.00 -0.37 0.00 0.00 57.07 58.37 5bj3 s TYR 199 Cb 0.05 -2.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.06 5bj3 s TYR 199 CO 0.14 0.46 0.07 -1.17 -1.57 0.00 0.00 175.55 173.48 5bj3 s LEU 200 N -1.56 4.00 -0.37 -1.29 1.98 0.22 -1.16 118.68 120.50 5bj3 s LEU 200 Ca 0.37 -1.00 -0.18 0.00 -2.89 0.00 0.00 54.13 50.43 5bj3 s LEU 200 Cb -0.19 -1.83 0.00 0.00 0.66 0.00 0.00 46.19 44.84 5bj3 s LEU 200 CO 0.21 -0.26 0.48 -0.69 -1.89 0.00 0.00 176.35 174.20 5bj3 s VAL 201 N 1.40 5.05 -0.37 1.68 1.01 0.17 -1.30 120.40 128.04 5bj3 s VAL 201 Ca -0.01 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 5bj3 s VAL 201 Cb -0.19 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.27 5bj3 s VAL 201 CO 0.01 -0.27 0.17 -0.55 0.00 0.00 0.00 175.10 174.47 5bj3 s SER 202 N 1.79 5.48 -0.60 3.32 0.15 -0.43 -0.48 113.70 122.93 5bj3 s SER 202 Ca 0.16 -1.25 -0.22 0.00 0.70 0.00 0.00 55.95 55.34 5bj3 s SER 202 Cb -0.16 -1.93 0.06 0.00 -1.71 0.00 0.00 66.02 62.28 5bj3 s SER 202 CO 0.14 -0.41 0.89 -0.62 1.20 0.00 0.00 173.24 174.44 5bj3 s ASP 203 N 1.64 6.23 -0.26 5.45 -1.08 0.47 -0.66 116.67 128.46 5bj3 s ASP 203 Ca 0.01 -0.82 0.12 0.00 -0.52 0.00 0.00 52.55 51.34 5bj3 s ASP 203 Cb -0.21 -2.40 0.57 0.00 -1.46 0.00 0.00 42.92 39.43 5bj3 s ASP 203 CO 0.03 -1.27 1.54 -0.62 0.52 0.00 0.00 175.17 175.37 5bj3 n GLU 204 N 7.30 2.62 0.24 4.34 1.02 0.54 -3.21 120.64 133.50 5bj3 n GLU 204 Ca -0.03 -3.02 0.18 0.00 -0.02 0.00 0.00 57.16 54.27 5bj3 n GLU 204 Cb 0.46 -1.92 0.87 0.00 -0.02 0.00 0.00 31.44 30.83 5bj3 n GLU 204 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 5bj3 h ILE 205 N 1.61 0.27 -0.60 -3.67 -0.00 -1.89 -1.97 117.51 111.25 5bj3 h ILE 205 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.03 5bj3 h ILE 205 Cb 1.77 0.79 0.00 0.00 -0.00 0.00 0.00 36.82 39.38 5bj3 h ILE 205 CO 0.43 0.00 0.00 -1.22 -0.00 0.00 0.00 178.15 177.36 5bj3 n TYR 206 N -3.45 1.01 -0.35 0.16 4.01 -1.26 -4.38 117.16 112.90 5bj3 n TYR 206 Ca 0.01 -0.45 0.22 0.00 -0.16 0.00 0.00 57.90 57.52 5bj3 n TYR 206 Cb 0.35 -0.08 0.46 0.00 -0.31 0.00 0.00 39.34 39.76 5bj3 n TYR 206 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 5bj3 h GLU 207 N 3.62 0.41 0.00 -0.72 4.11 -1.64 -0.08 114.58 120.28 5bj3 h GLU 207 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 5bj3 h GLU 207 Cb 1.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.16 5bj3 h GLU 207 CO 0.08 0.27 -0.20 0.72 0.07 0.00 0.00 179.01 179.95 5bj3 n HIS 208 N -4.85 0.23 -2.88 2.06 8.25 -1.26 -4.15 115.22 112.62 5bj3 n HIS 208 Ca 0.29 0.07 -0.43 0.00 -0.26 0.00 0.00 57.72 57.39 5bj3 n HIS 208 Cb 0.91 -0.53 0.01 0.00 1.12 0.00 0.00 29.99 31.49 5bj3 n HIS 208 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 5bj3 n LEU 209 N -1.70 6.64 -4.13 2.41 4.77 -0.04 -4.87 117.00 120.07 5bj3 n LEU 209 Ca 0.06 -5.20 -0.31 0.00 -0.03 0.00 0.00 56.01 50.53 5bj3 n LEU 209 Cb 0.37 -1.27 -0.17 0.00 -2.33 0.00 0.00 43.42 40.02 5bj3 n LEU 209 CO 0.31 1.74 -0.53 -0.22 -1.33 0.00 0.00 177.39 177.36 5bj3 s LEU 210 N -2.85 1.98 -0.13 2.23 2.96 -1.26 -0.50 118.68 121.11 5bj3 s LEU 210 Ca 0.33 -0.55 0.11 0.00 -0.22 0.00 0.00 54.13 53.81 5bj3 s LEU 210 Cb 0.08 -1.33 -0.24 0.00 0.50 0.00 0.00 46.19 45.20 5bj3 s LEU 210 CO 0.06 0.06 0.33 -1.22 -1.32 0.00 0.00 176.35 174.26 5bj3 n TYR 211 N 4.14 0.58 -3.62 5.38 4.01 0.65 -4.99 117.16 123.30 5bj3 n TYR 211 Ca -0.20 0.19 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 5bj3 n TYR 211 Cb 0.51 -1.10 -0.07 0.00 -0.31 0.00 0.00 39.34 38.37 5bj3 n TYR 211 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 5bj3 s GLU 212 N -2.55 0.84 0.00 -0.72 1.03 -1.23 -5.10 118.70 110.97 5bj3 s GLU 212 Ca -0.11 0.58 0.00 0.00 0.03 0.00 0.00 54.97 55.46 5bj3 s GLU 212 Cb 0.07 0.40 0.00 0.00 -0.80 0.00 0.00 34.13 33.80 5bj3 s GLU 212 CO 0.80 -0.17 0.00 0.41 -1.33 0.00 0.00 175.26 174.96 5bj3 n GLY 213 N 2.01 -1.66 3.13 -3.83 0.00 -1.26 -4.90 105.19 98.68 5bj3 n GLY 213 Ca -0.16 -2.05 -0.16 0.00 0.00 0.00 0.00 46.02 43.65 5bj3 n GLY 213 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5bj3 s GLU 214 N 0.00 0.70 -0.38 1.61 2.02 -1.26 -5.11 118.70 116.27 5bj3 s GLU 214 Ca 0.00 -0.88 -0.21 0.00 0.02 0.00 0.00 54.97 53.90 5bj3 s GLU 214 Cb 0.00 -0.59 0.01 0.00 0.10 0.00 0.00 34.13 33.65 5bj3 s GLU 214 CO 0.00 0.12 0.68 -1.58 0.02 0.00 0.00 175.26 174.51 5bj3 s HIS 215 N -1.36 3.11 -0.12 1.61 5.65 -1.26 -4.87 115.29 118.05 5bj3 s HIS 215 Ca -0.05 0.29 -0.04 0.00 0.25 0.00 0.00 55.06 55.50 5bj3 s HIS 215 Cb -0.10 -3.29 -0.04 0.00 -1.18 0.00 0.00 32.58 27.97 5bj3 s HIS 215 CO 0.01 -0.74 0.04 0.12 -0.65 0.00 0.00 174.74 173.53 5bj3 s PHE 216 N 2.88 3.26 -0.34 3.88 5.36 -1.26 -5.04 117.98 126.72 5bj3 s PHE 216 Ca 0.26 0.20 -0.10 0.00 -0.96 0.00 0.00 56.93 56.33 5bj3 s PHE 216 Cb -0.14 -1.90 0.01 0.00 -0.34 0.00 0.00 43.02 40.65 5bj3 s PHE 216 CO 0.17 0.41 0.16 -1.12 -1.46 0.00 0.00 175.22 173.39 5bj3 s SER 217 N -0.52 5.56 0.55 6.13 0.01 -1.26 -4.98 113.70 119.19 5bj3 s SER 217 Ca 0.10 -0.80 0.32 0.00 1.31 0.00 0.00 55.95 56.88 5bj3 s SER 217 Cb -0.12 -1.99 1.48 0.00 0.21 0.00 0.00 66.02 65.61 5bj3 s SER 217 CO 0.02 -0.29 1.86 -0.65 0.41 0.00 0.00 173.24 174.59 5bj3 h PRO 218 N 8.36 0.00 0.00 12.44 0.11 -1.95 -1.83 132.00 149.13 5bj3 h PRO 218 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 5bj3 h PRO 218 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 5bj3 h PRO 218 CO 0.64 0.00 0.07 0.78 -0.21 0.00 0.00 178.00 179.28 5bj3 h GLY 219 N 0.00 0.00 1.48 -0.55 0.00 -1.94 -0.93 103.07 101.13 5bj3 h GLY 219 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.65 5bj3 h GLY 219 CO -0.00 0.00 -0.25 3.21 0.00 0.00 0.00 176.54 179.50 5bj3 h ARG 220 N 0.00 0.60 0.01 4.80 3.08 -1.61 -2.76 114.38 118.50 5bj3 h ARG 220 Ca 0.00 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 5bj3 h ARG 220 Cb 0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 5bj3 h ARG 220 CO 0.00 0.80 -0.45 0.28 -1.07 0.00 0.00 179.97 179.53 5bj3 h VAL 221 N 0.53 1.49 -2.28 2.04 2.07 -1.40 -3.42 116.25 115.27 5bj3 h VAL 221 Ca 0.07 -2.30 -0.59 0.00 0.82 0.00 0.00 66.70 64.70 5bj3 h VAL 221 Cb 0.71 3.00 -0.41 0.00 -1.52 0.00 0.00 31.29 33.07 5bj3 h VAL 221 CO 0.05 0.52 -0.72 0.00 0.02 0.00 0.00 177.57 177.44 5bj3 n ALA 222 N -2.88 3.58 -0.02 1.67 0.00 -1.00 -4.96 120.51 116.90 5bj3 n ALA 222 Ca -0.18 -4.37 0.07 0.00 0.00 0.00 0.00 53.44 48.97 5bj3 n ALA 222 Cb 0.56 -0.89 0.46 0.00 0.00 0.00 0.00 19.45 19.58 5bj3 n ALA 222 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 5bj3 h PRO 223 N 4.37 0.46 -0.11 0.00 0.13 -1.75 -0.82 132.00 134.28 5bj3 h PRO 223 Ca 0.17 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 5bj3 h PRO 223 Cb 0.73 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.76 5bj3 h PRO 223 CO 0.72 0.31 0.00 0.39 -0.23 0.00 0.00 178.00 179.19 5bj3 n GLU 224 N -4.48 1.56 0.00 0.86 1.02 -1.26 -3.72 120.64 114.63 5bj3 n GLU 224 Ca 0.05 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 5bj3 n GLU 224 Cb 0.18 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 5bj3 n GLU 224 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 5bj3 n HIS 225 N 0.05 0.00 -3.77 -0.32 8.25 -0.82 -4.84 115.22 113.77 5bj3 n HIS 225 Ca 0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.26 5bj3 n HIS 225 Cb 0.27 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 5bj3 n HIS 225 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 5bj3 s THR 226 N -1.76 5.44 -0.30 1.59 2.01 -0.38 -0.61 115.64 121.62 5bj3 s THR 226 Ca 0.00 0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.21 5bj3 s THR 226 Cb 0.00 -3.46 0.06 0.00 0.01 0.00 0.00 72.50 69.11 5bj3 s THR 226 CO 0.00 0.50 0.00 -0.76 -0.69 0.00 0.00 174.62 173.67 5bj3 s LEU 227 N -0.13 3.97 -0.25 4.42 1.43 -0.42 -4.26 118.68 123.45 5bj3 s LEU 227 Ca 0.11 -1.38 -0.19 0.00 -1.03 0.00 0.00 54.13 51.64 5bj3 s LEU 227 Cb -0.11 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 5bj3 s LEU 227 CO 0.00 -0.28 0.55 -0.89 0.23 0.00 0.00 176.35 175.97 5bj3 s THR 228 N 1.21 5.05 -0.13 5.49 2.01 -0.14 -1.32 115.64 127.81 5bj3 s THR 228 Ca -0.04 0.97 -0.04 0.00 0.31 0.00 0.00 61.69 62.89 5bj3 s THR 228 Cb -0.20 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 5bj3 s THR 228 CO -0.02 0.09 0.01 -0.69 -0.69 0.00 0.00 174.62 173.31 5bj3 s VAL 229 N 2.24 4.32 0.11 3.82 1.01 0.16 -1.49 120.40 130.56 5bj3 s VAL 229 Ca 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 5bj3 s VAL 229 Cb -0.16 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.36 5bj3 s VAL 229 CO 0.09 0.54 0.16 -3.20 0.00 0.00 0.00 175.10 172.69 5bj3 n ASN 230 N 2.89 -0.47 0.00 3.32 2.85 0.46 -0.34 115.26 123.97 5bj3 n ASN 230 Ca -0.18 -1.53 0.00 0.00 -0.11 0.00 0.00 54.58 52.77 5bj3 n ASN 230 Cb 0.53 0.83 0.00 0.00 1.24 0.00 0.00 39.78 42.38 5bj3 n ASN 230 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 5bj3 n GLY 231 N -0.16 0.84 0.04 8.20 0.00 -1.26 -1.47 105.19 111.37 5bj3 n GLY 231 Ca -0.01 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.29 5bj3 n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5bj3 n ALA 232 N -0.25 2.77 -0.02 4.61 0.00 -1.09 -4.62 120.51 121.92 5bj3 n ALA 232 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 5bj3 n ALA 232 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 5bj3 n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5bj3 n ALA 233 N -1.64 -0.07 0.10 0.00 0.00 -1.26 -1.78 120.51 115.86 5bj3 n ALA 233 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 5bj3 n ALA 233 Cb 0.38 0.42 -0.14 0.00 0.00 0.00 0.00 19.45 20.11 5bj3 n ALA 233 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 5bj3 h LYS 234 N 0.00 0.30 -0.52 0.00 1.79 -1.82 -0.37 116.57 115.94 5bj3 h LYS 234 Ca 0.00 -0.51 -0.06 0.00 -2.18 0.00 0.00 60.65 57.90 5bj3 h LYS 234 Cb 0.00 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 5bj3 h LYS 234 CO 0.00 1.23 0.08 0.00 -1.08 0.00 0.00 179.45 179.68 5bj3 h ALA 235 N 0.52 0.69 -0.20 3.86 0.00 -1.76 -3.28 119.26 119.09 5bj3 h ALA 235 Ca -0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.50 5bj3 h ALA 235 Cb 2.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.59 5bj3 h ALA 235 CO 0.21 0.43 0.00 1.19 0.00 0.00 0.00 179.25 181.08 5bj3 n PHE 236 N -4.38 0.61 -3.66 0.00 3.72 -0.73 -4.74 117.46 108.28 5bj3 n PHE 236 Ca 0.02 -0.81 -0.22 0.00 -0.05 0.00 0.00 57.45 56.39 5bj3 n PHE 236 Cb 0.26 -0.22 0.04 0.00 -0.94 0.00 0.00 39.48 38.63 5bj3 n PHE 236 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 5bj3 n ALA 237 N -0.53 -2.10 -2.04 4.37 0.00 -1.09 -4.26 120.51 114.87 5bj3 n ALA 237 Ca 0.17 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 5bj3 n ALA 237 Cb 0.72 -2.40 0.07 0.00 0.00 0.00 0.00 19.45 17.84 5bj3 n ALA 237 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 5bj3 n MET 238 N -4.19 2.77 -0.15 0.00 2.81 -0.17 -3.43 117.12 114.77 5bj3 n MET 238 Ca -0.27 -3.80 0.03 0.00 -1.81 0.00 0.00 57.70 51.85 5bj3 n MET 238 Cb 0.67 -1.95 0.32 0.00 -0.71 0.00 0.00 33.22 31.55 5bj3 n MET 238 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 5bj3 h THR 239 N 2.52 1.13 0.00 2.03 1.35 -1.84 -2.26 112.91 115.83 5bj3 h THR 239 Ca 0.20 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 5bj3 h THR 239 Cb 1.40 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 5bj3 h THR 239 CO 0.49 0.15 -0.10 0.61 -0.25 0.00 0.00 175.52 176.42 5bj3 n GLY 240 N -1.44 -1.49 0.19 5.82 0.00 -1.26 -3.53 105.19 103.48 5bj3 n GLY 240 Ca 0.07 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.03 5bj3 n GLY 240 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 5bj3 h TRP 241 N 0.00 0.00 -5.58 1.61 4.06 -1.79 -3.48 115.95 110.77 5bj3 h TRP 241 Ca 0.00 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.66 5bj3 h TRP 241 Cb 0.54 0.00 0.18 0.00 -1.00 0.00 0.00 29.16 28.88 5bj3 h TRP 241 CO 0.00 0.27 -0.83 0.54 -3.56 0.00 0.00 178.44 174.87 5bj3 n ARG 242 N -3.21 -4.05 -3.92 0.49 5.12 -1.23 -4.90 116.66 104.96 5bj3 n ARG 242 Ca 0.02 0.84 -0.28 0.00 -1.93 0.00 0.00 57.85 56.51 5bj3 n ARG 242 Cb 0.59 -5.78 -0.17 0.00 -1.16 0.00 0.00 32.46 25.95 5bj3 n ARG 242 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 5bj3 s ILE 243 N -3.39 1.14 0.39 0.55 -1.09 -1.26 -2.32 121.20 115.21 5bj3 s ILE 243 Ca 0.26 -0.43 0.04 0.00 -2.23 0.00 0.00 60.65 58.29 5bj3 s ILE 243 Cb -0.04 -1.18 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 5bj3 s ILE 243 CO 0.74 0.32 0.08 -0.83 -1.23 0.00 0.00 174.94 174.03 5bj3 s GLY 244 N 1.65 2.43 0.10 6.18 0.00 0.26 -2.66 107.32 115.28 5bj3 s GLY 244 Ca 0.04 -1.52 -0.24 0.00 0.00 0.00 0.00 44.72 43.00 5bj3 s GLY 244 CO -0.08 -1.88 0.58 -2.52 0.00 0.00 0.00 173.10 169.20 5bj3 s TYR 245 N -3.19 -0.50 0.17 1.90 -0.85 -0.54 -0.72 117.35 113.61 5bj3 s TYR 245 Ca 0.27 0.45 -0.13 0.00 -0.52 0.00 0.00 57.07 57.14 5bj3 s TYR 245 Cb 0.05 0.46 0.01 0.00 0.38 0.00 0.00 41.96 42.86 5bj3 s TYR 245 CO 0.14 -0.75 0.38 0.00 -1.52 0.00 0.00 175.55 173.80 5bj3 s ALA 246 N -3.06 -0.46 0.06 9.51 0.00 -0.90 -0.41 121.76 126.51 5bj3 s ALA 246 Ca -0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 5bj3 s ALA 246 Cb -0.00 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 5bj3 s ALA 246 CO -0.07 -0.70 0.16 0.00 0.00 0.00 0.00 175.76 175.15 5bj3 n GLY 248 N 0.30 -0.68 3.63 0.00 0.00 -1.06 -0.96 105.19 106.42 5bj3 n GLY 248 Ca -0.17 -1.04 -0.51 0.00 0.00 0.00 0.00 46.02 44.31 5bj3 n GLY 248 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 5bj3 n PRO 249 N 0.00 1.45 -0.30 1.61 -0.02 -1.26 -4.76 135.00 131.72 5bj3 n PRO 249 Ca 0.00 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 5bj3 n PRO 249 Cb 0.00 -2.22 0.30 0.00 -0.02 0.00 0.00 33.50 31.56 5bj3 n PRO 249 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 5bj3 h LYS 250 N 5.46 0.36 -0.36 -0.52 3.64 -1.92 -1.30 116.57 121.93 5bj3 h LYS 250 Ca -0.47 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 5bj3 h LYS 250 Cb 1.31 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 5bj3 h LYS 250 CO 0.84 0.24 -0.01 1.05 -2.27 0.00 0.00 179.45 179.29 5bj3 h GLU 251 N 0.37 0.58 -0.05 1.90 4.11 -1.95 -0.01 114.58 119.53 5bj3 h GLU 251 Ca 0.55 -0.13 -0.19 0.00 0.07 0.00 0.00 59.36 59.66 5bj3 h GLU 251 Cb 1.05 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.23 5bj3 h GLU 251 CO -0.54 0.61 -0.71 0.28 0.07 0.00 0.00 179.01 178.72 5bj3 h VAL 252 N 0.55 1.35 -0.76 -1.06 2.07 -1.64 -2.16 116.25 114.60 5bj3 h VAL 252 Ca 0.11 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.61 5bj3 h VAL 252 Cb 0.37 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 5bj3 h VAL 252 CO 0.01 0.61 0.49 0.40 0.02 0.00 0.00 177.57 179.11 5bj3 h ILE 253 N 0.17 1.20 -0.50 4.57 1.08 -1.06 0.40 117.51 123.38 5bj3 h ILE 253 Ca -0.07 -0.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.99 5bj3 h ILE 253 Cb 1.37 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 5bj3 h ILE 253 CO 0.14 0.20 0.23 0.50 -0.69 0.00 0.00 178.15 178.53 5bj3 h LYS 254 N 1.03 0.72 -0.86 2.37 3.64 -1.02 -1.38 116.57 121.08 5bj3 h LYS 254 Ca 0.28 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 5bj3 h LYS 254 Cb -0.10 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.56 5bj3 h LYS 254 CO -0.06 0.62 0.42 0.00 -2.27 0.00 0.00 179.45 178.16 5bj3 h ALA 255 N 1.07 1.10 -0.75 5.00 0.00 -0.79 -2.15 119.26 122.75 5bj3 h ALA 255 Ca 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 5bj3 h ALA 255 Cb 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 5bj3 h ALA 255 CO -0.02 0.66 0.31 0.52 0.00 0.00 0.00 179.25 180.72 5bj3 h MET 256 N 1.22 1.11 -0.10 0.00 2.86 -0.51 -1.97 114.93 117.54 5bj3 h MET 256 Ca 0.30 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 5bj3 h MET 256 Cb 0.10 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 5bj3 h MET 256 CO -0.04 0.89 -0.26 0.00 1.06 0.00 0.00 176.91 178.56 5bj3 h ALA 257 N 1.25 1.38 -0.55 6.32 0.00 -0.83 -2.34 119.26 124.49 5bj3 h ALA 257 Ca 0.25 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 5bj3 h ALA 257 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 5bj3 h ALA 257 CO -0.02 0.44 -0.07 0.77 0.00 0.00 0.00 179.25 180.36 5bj3 h SER 258 N 0.16 0.99 -0.26 0.00 0.02 -0.74 -1.27 113.55 112.45 5bj3 h SER 258 Ca 0.02 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.57 5bj3 h SER 258 Cb 0.56 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 5bj3 h SER 258 CO 0.04 1.08 -0.18 0.58 -1.14 0.00 0.00 176.83 177.21 5bj3 h VAL 259 N 0.90 1.26 -0.53 2.27 2.07 -1.07 -2.90 116.25 118.26 5bj3 h VAL 259 Ca 0.15 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 5bj3 h VAL 259 Cb 0.62 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 5bj3 h VAL 259 CO 0.04 0.41 0.09 0.28 0.02 0.00 0.00 177.57 178.42 5bj3 h SER 260 N 0.63 0.83 -0.89 0.57 0.02 -1.11 -2.62 113.55 110.98 5bj3 h SER 260 Ca 0.10 -0.26 0.09 0.00 -0.84 0.00 0.00 61.79 60.88 5bj3 h SER 260 Cb 0.65 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.91 5bj3 h SER 260 CO 0.05 0.87 0.57 -0.09 -1.14 0.00 0.00 176.83 177.09 5bj3 h ARG 261 N 0.75 0.89 -0.25 3.45 2.43 -1.05 0.39 114.38 121.00 5bj3 h ARG 261 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 5bj3 h ARG 261 Cb 0.39 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 5bj3 h ARG 261 CO 0.01 0.59 0.00 1.04 -1.51 0.00 0.00 179.97 180.10 5bj3 n GLN 262 N -4.52 1.93 0.00 0.20 1.13 -1.10 -4.13 117.38 110.90 5bj3 n GLN 262 Ca 0.15 -1.40 0.00 0.00 -1.94 0.00 0.00 57.00 53.81 5bj3 n GLN 262 Cb 0.27 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.21 5bj3 n GLN 262 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 5bj3 n SER 263 N 0.62 0.00 0.01 1.08 3.41 -0.68 -4.93 113.62 113.13 5bj3 n SER 263 Ca 0.16 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.88 5bj3 n SER 263 Cb 0.39 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 5bj3 n SER 263 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 5bj3 n THR 264 N -1.88 0.07 0.00 6.66 -2.24 -0.78 -4.98 114.28 111.13 5bj3 n THR 264 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 5bj3 n THR 264 Cb 0.00 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 5bj3 n THR 264 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 5bj3 n THR 265 N -1.76 0.00 -3.62 4.28 -1.04 0.13 -4.72 114.28 107.54 5bj3 n THR 265 Ca 0.03 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.00 5bj3 n THR 265 Cb 0.40 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.88 5bj3 n THR 265 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 5bj3 s SER 266 N 0.00 -0.09 0.88 8.00 0.15 -1.26 -3.75 113.70 117.63 5bj3 s SER 266 Ca 0.00 0.04 -0.11 0.00 0.70 0.00 0.00 55.95 56.58 5bj3 s SER 266 Cb 0.00 0.08 0.12 0.00 -1.71 0.00 0.00 66.02 64.51 5bj3 s SER 266 CO 0.00 -0.12 1.09 -2.84 1.20 0.00 0.00 173.24 172.58 5bj3 s PRO 267 N -1.72 1.42 -0.14 5.44 0.02 -1.26 -4.91 135.00 133.85 5bj3 s PRO 267 Ca 0.09 0.85 -0.39 0.00 0.02 0.00 0.00 61.00 61.57 5bj3 s PRO 267 Cb -0.01 -1.83 -0.16 0.00 0.02 0.00 0.00 34.50 32.53 5bj3 s PRO 267 CO -0.05 -2.14 1.60 -3.47 -0.33 0.00 0.00 177.00 172.62 5bj3 n ASP 268 N -3.82 2.15 -0.33 2.53 -0.08 -1.26 -4.79 116.55 110.96 5bj3 n ASP 268 Ca 0.07 1.09 -0.04 0.00 -1.51 0.00 0.00 54.79 54.40 5bj3 n ASP 268 Cb 0.55 -1.17 0.08 0.00 2.34 0.00 0.00 41.12 42.93 5bj3 n ASP 268 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 5bj3 h THR 269 N 4.54 1.26 -0.54 5.18 2.02 -1.87 -1.80 112.91 121.70 5bj3 h THR 269 Ca -0.47 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.03 5bj3 h THR 269 Cb 1.32 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 5bj3 h THR 269 CO 0.89 0.29 0.20 0.40 0.37 0.00 0.00 175.52 177.68 5bj3 h ILE 270 N 1.24 1.22 -0.16 3.11 5.03 -1.90 -2.37 117.51 123.68 5bj3 h ILE 270 Ca 0.31 -0.71 -0.07 0.00 -0.12 0.00 0.00 64.86 64.27 5bj3 h ILE 270 Cb 0.04 0.68 -0.01 0.00 -3.03 0.00 0.00 36.82 34.50 5bj3 h ILE 270 CO -0.05 0.27 -0.21 0.00 -0.68 0.00 0.00 178.15 177.48 5bj3 h ALA 271 N 1.05 1.36 -0.50 1.87 0.00 -1.84 -1.77 119.26 119.42 5bj3 h ALA 271 Ca 0.18 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 5bj3 h ALA 271 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 5bj3 h ALA 271 CO -0.01 0.44 -0.01 1.96 0.00 0.00 0.00 179.25 181.63 5bj3 h GLN 272 N 0.25 0.89 -0.08 0.00 4.20 -0.96 -1.04 115.11 118.37 5bj3 h GLN 272 Ca 0.04 -0.29 -0.13 0.00 0.06 0.00 0.00 58.65 58.34 5bj3 h GLN 272 Cb 0.52 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 5bj3 h GLN 272 CO 0.03 0.93 -0.51 -1.49 -0.67 0.00 0.00 178.83 177.12 5bj3 h TRP 273 N 0.76 0.28 -0.37 2.96 4.06 -1.16 -2.17 115.95 120.30 5bj3 h TRP 273 Ca 0.14 -0.09 -0.14 0.00 2.06 0.00 0.00 58.89 60.86 5bj3 h TRP 273 Cb 0.53 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 5bj3 h TRP 273 CO 0.04 0.69 -0.32 0.00 -3.56 0.00 0.00 178.44 175.29 5bj3 h ALA 274 N 1.29 0.54 -0.32 1.49 0.00 -1.16 -2.96 119.26 118.15 5bj3 h ALA 274 Ca 0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 5bj3 h ALA 274 Cb 0.96 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 5bj3 h ALA 274 CO 0.08 0.59 -0.06 1.15 0.00 0.00 0.00 179.25 181.01 5bj3 h THR 275 N 0.67 1.21 -0.75 0.00 2.02 -1.05 -2.30 112.91 112.70 5bj3 h THR 275 Ca 0.07 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.42 5bj3 h THR 275 Cb 0.90 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 5bj3 h THR 275 CO 0.08 0.30 0.44 0.25 0.37 0.00 0.00 175.52 176.96 5bj3 h LEU 276 N 0.48 0.67 -0.83 2.58 6.46 -1.23 -1.25 115.31 122.20 5bj3 h LEU 276 Ca 0.10 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.82 5bj3 h LEU 276 Cb 0.40 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 5bj3 h LEU 276 CO 0.02 0.43 0.16 -0.08 -0.62 0.00 0.00 178.44 178.36 5bj3 h GLU 277 N 0.81 1.04 -0.26 1.25 4.57 -1.34 -0.02 114.58 120.63 5bj3 h GLU 277 Ca 0.33 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 5bj3 h GLU 277 Cb 0.18 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 5bj3 h GLU 277 CO -0.18 0.91 -0.01 0.00 -1.18 0.00 0.00 179.01 178.56 5bj3 h ALA 278 N 1.19 1.50 0.07 2.92 0.00 -0.94 -0.38 119.26 123.62 5bj3 h ALA 278 Ca 0.21 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 5bj3 h ALA 278 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 5bj3 h ALA 278 CO -0.00 0.36 -1.57 -0.07 0.00 0.00 0.00 179.25 177.96 5bj3 h LEU 279 N 0.38 0.25 0.02 0.00 3.38 -0.86 -3.39 115.31 115.09 5bj3 h LEU 279 Ca 0.09 -0.39 -0.27 0.00 0.09 0.00 0.00 57.88 57.40 5bj3 h LEU 279 Cb 0.27 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 5bj3 h LEU 279 CO 0.01 1.33 -1.44 0.71 0.09 0.00 0.00 178.44 179.14 5bj3 h THR 280 N 0.04 1.19 -1.46 0.22 1.35 -0.95 -3.37 112.91 109.93 5bj3 h THR 280 Ca -0.25 -2.96 -0.76 0.00 -0.55 0.00 0.00 66.41 61.89 5bj3 h THR 280 Cb 1.99 2.62 -0.16 0.00 -1.73 0.00 0.00 68.15 70.87 5bj3 h THR 280 CO 0.13 0.72 1.99 -3.20 -0.25 0.00 0.00 175.52 174.91 5bj3 n ASN 281 N -3.22 5.73 -0.22 5.36 4.05 -0.16 -4.77 115.26 122.04 5bj3 n ASN 281 Ca -0.11 -3.15 0.13 0.00 0.45 0.00 0.00 54.58 51.90 5bj3 n ASN 281 Cb 1.01 -1.44 0.43 0.00 1.23 0.00 0.00 39.78 41.01 5bj3 n ASN 281 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 5bj3 h GLN 282 N 5.49 0.56 0.49 1.20 4.20 -1.81 -1.91 115.11 123.33 5bj3 h GLN 282 Ca 0.43 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.09 5bj3 h GLN 282 Cb 0.57 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.22 5bj3 h GLN 282 CO 1.58 0.37 -0.23 1.49 -0.67 0.00 0.00 178.83 181.37 5bj3 h GLU 283 N 0.58 -0.63 -0.50 1.46 4.81 -1.96 0.65 114.58 119.00 5bj3 h GLU 283 Ca 0.40 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.61 5bj3 h GLU 283 Cb 0.73 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 5bj3 h GLU 283 CO -0.16 -0.36 0.04 0.00 -0.73 0.00 0.00 179.01 177.79 5bj3 h ALA 284 N -0.31 1.13 -0.22 2.92 0.00 -1.92 -2.49 119.26 118.37 5bj3 h ALA 284 Ca -0.07 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 5bj3 h ALA 284 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 5bj3 h ALA 284 CO 0.11 0.57 -0.49 0.77 0.00 0.00 0.00 179.25 180.21 5bj3 h SER 285 N 0.77 0.82 -0.53 0.00 0.02 -1.34 -2.82 113.55 110.46 5bj3 h SER 285 Ca 0.15 -0.55 0.05 0.00 -0.84 0.00 0.00 61.79 60.60 5bj3 h SER 285 Cb 0.41 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 5bj3 h SER 285 CO 0.01 1.22 0.27 -0.09 -1.14 0.00 0.00 176.83 177.10 5bj3 h ARG 286 N 0.45 0.50 -0.97 3.45 2.43 -0.75 -0.03 114.38 119.46 5bj3 h ARG 286 Ca 0.00 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 5bj3 h ARG 286 Cb 1.09 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.48 5bj3 h ARG 286 CO 0.11 0.33 0.63 0.00 -1.51 0.00 0.00 179.97 179.53 5bj3 h ALA 287 N 1.29 1.27 -0.13 2.80 0.00 -1.41 -0.14 119.26 122.93 5bj3 h ALA 287 Ca 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 5bj3 h ALA 287 Cb 0.15 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 5bj3 h ALA 287 CO -0.17 0.54 -0.04 0.35 0.00 0.00 0.00 179.25 179.92 5bj3 h PHE 288 N 1.24 0.29 -0.62 0.00 3.57 -1.07 -2.22 116.94 118.12 5bj3 h PHE 288 Ca 0.38 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.86 5bj3 h PHE 288 Cb -0.03 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 5bj3 h PHE 288 CO -0.01 0.57 0.35 0.28 -2.23 0.00 0.00 178.31 177.27 5bj3 h VAL 289 N -0.07 0.98 -0.49 1.41 2.07 -0.62 -1.09 116.25 118.44 5bj3 h VAL 289 Ca 0.03 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 5bj3 h VAL 289 Cb 0.48 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 5bj3 h VAL 289 CO 0.02 0.12 0.07 -0.33 0.02 0.00 0.00 177.57 177.46 5bj3 h GLU 290 N 0.65 0.82 -0.14 1.57 4.39 -1.03 -0.68 114.58 120.17 5bj3 h GLU 290 Ca 0.27 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 5bj3 h GLU 290 Cb 0.15 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 5bj3 h GLU 290 CO -0.16 0.83 0.08 1.98 -1.16 0.00 0.00 179.01 180.58 5bj3 h MET 291 N 0.70 0.19 -0.17 2.33 4.05 -0.99 -1.91 114.93 119.13 5bj3 h MET 291 Ca 0.15 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 5bj3 h MET 291 Cb 0.41 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 5bj3 h MET 291 CO 0.01 0.17 0.06 0.00 0.23 0.00 0.00 176.91 177.38 5bj3 h ALA 292 N 1.01 0.23 -0.69 0.39 0.00 -1.13 -2.12 119.26 116.95 5bj3 h ALA 292 Ca 0.05 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.90 5bj3 h ALA 292 Cb 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 5bj3 h ALA 292 CO -0.01 -0.16 0.37 -0.09 0.00 0.00 0.00 179.25 179.36 5bj3 h ARG 293 N 0.11 0.65 -0.36 0.00 2.43 -1.05 0.84 114.38 116.99 5bj3 h ARG 293 Ca 0.06 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 5bj3 h ARG 293 Cb 0.22 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 5bj3 h ARG 293 CO -0.00 0.43 -0.21 1.49 -1.51 0.00 0.00 179.97 180.17 5bj3 h GLU 294 N 0.67 0.69 -0.32 0.20 4.81 -1.28 -0.84 114.58 118.50 5bj3 h GLU 294 Ca 0.32 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 5bj3 h GLU 294 Cb 0.24 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 5bj3 h GLU 294 CO -0.21 0.85 -0.04 0.00 -0.73 0.00 0.00 179.01 178.88 5bj3 h ALA 295 N 1.16 0.43 -0.55 2.92 0.00 -0.62 -2.75 119.26 119.85 5bj3 h ALA 295 Ca 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 5bj3 h ALA 295 Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 5bj3 h ALA 295 CO 0.05 0.23 0.19 1.88 0.00 0.00 0.00 179.25 181.59 5bj3 h TYR 296 N 0.37 0.88 -0.46 0.00 0.05 -0.72 -2.64 116.97 114.45 5bj3 h TYR 296 Ca 0.09 -0.08 0.05 0.00 0.05 0.00 0.00 58.73 58.83 5bj3 h TYR 296 Cb 0.51 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.94 5bj3 h TYR 296 CO 0.04 0.74 0.20 -0.09 -1.05 0.00 0.00 178.16 178.00 5bj3 h ARG 297 N 0.77 0.38 -0.43 4.88 2.43 -1.11 0.19 114.38 121.50 5bj3 h ARG 297 Ca 0.18 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 5bj3 h ARG 297 Cb 0.26 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 5bj3 h ARG 297 CO -0.01 0.25 0.23 0.00 -1.51 0.00 0.00 179.97 178.93 5bj3 h ARG 298 N 0.40 0.45 -0.82 0.20 3.08 -1.34 -1.83 114.38 114.51 5bj3 h ARG 298 Ca 0.21 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 5bj3 h ARG 298 Cb 0.17 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 5bj3 h ARG 298 CO -0.18 0.29 0.39 0.00 -1.07 0.00 0.00 179.97 179.40 5bj3 h ARG 299 N 0.46 1.18 0.11 0.04 3.08 -1.07 -1.47 114.38 116.71 5bj3 h ARG 299 Ca 0.18 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 5bj3 h ARG 299 Cb 0.06 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.90 5bj3 h ARG 299 CO -0.11 0.91 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.56 5bj3 h ARG 300 N 1.16 -0.14 -0.52 0.04 2.43 -0.59 -0.88 114.38 115.87 5bj3 h ARG 300 Ca 0.28 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.49 5bj3 h ARG 300 Cb 0.12 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 5bj3 h ARG 300 CO -0.03 -0.01 0.31 -0.44 -1.51 0.00 0.00 179.97 178.28 5bj3 h ASP 301 N -0.24 0.49 -0.03 -3.80 3.32 -1.22 0.11 116.42 115.04 5bj3 h ASP 301 Ca -0.02 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.06 5bj3 h ASP 301 Cb 0.20 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 5bj3 h ASP 301 CO 0.03 0.34 -0.06 0.25 -1.72 0.00 0.00 179.24 178.08 5bj3 h LEU 302 N 0.60 -0.17 0.17 1.55 6.46 -1.15 -1.68 115.31 121.10 5bj3 h LEU 302 Ca 0.21 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 5bj3 h LEU 302 Cb 0.04 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 5bj3 h LEU 302 CO -0.11 -0.08 -0.12 0.25 -0.62 0.00 0.00 178.44 177.76 5bj3 h LEU 303 N -0.09 -0.30 -0.78 2.25 6.46 -0.78 -2.55 115.31 119.52 5bj3 h LEU 303 Ca 0.03 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 5bj3 h LEU 303 Cb 0.13 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.10 5bj3 h LEU 303 CO -0.08 -0.19 0.47 -0.07 -0.62 0.00 0.00 178.44 177.95 5bj3 h LEU 304 N -0.29 0.73 -0.34 2.25 3.38 -0.86 -1.50 115.31 118.68 5bj3 h LEU 304 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 5bj3 h LEU 304 Cb 0.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 5bj3 h LEU 304 CO 0.01 0.48 0.23 -0.33 0.09 0.00 0.00 178.44 178.91 5bj3 h GLU 305 N 0.87 0.45 -0.71 1.13 5.08 -1.19 -1.31 114.58 118.90 5bj3 h GLU 305 Ca 0.34 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.68 5bj3 h GLU 305 Cb 0.15 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 5bj3 h GLU 305 CO -0.17 0.30 0.47 0.78 -1.00 0.00 0.00 179.01 179.39 5bj3 h GLY 306 N 0.46 1.00 0.90 -3.84 0.00 -1.00 -0.52 103.07 100.07 5bj3 h GLY 306 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 5bj3 h GLY 306 CO -0.03 0.37 0.09 1.41 0.00 0.00 0.00 176.54 178.38 5bj3 h LEU 307 N 0.96 0.38 -0.53 3.11 3.38 -1.02 -2.24 115.31 119.35 5bj3 h LEU 307 Ca 0.26 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.07 5bj3 h LEU 307 Cb -0.11 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 5bj3 h LEU 307 CO -0.06 0.46 0.32 0.74 0.09 0.00 0.00 178.44 179.99 5bj3 h THR 308 N 0.27 1.05 -0.48 0.22 2.02 -0.99 0.42 112.91 115.41 5bj3 h THR 308 Ca 0.09 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 67.10 5bj3 h THR 308 Cb 0.21 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 5bj3 h THR 308 CO -0.00 0.11 0.32 0.00 0.37 0.00 0.00 175.52 176.32 5bj3 h ALA 309 N 1.24 1.86 -0.00 6.16 0.00 -0.91 0.10 119.26 127.71 5bj3 h ALA 309 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 5bj3 h ALA 309 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 5bj3 h ALA 309 CO -0.10 0.07 -0.22 1.28 0.00 0.00 0.00 179.25 180.28 5bj3 n LEU 310 N -4.48 0.68 -0.07 0.00 4.77 -0.57 -4.93 117.00 112.40 5bj3 n LEU 310 Ca 0.06 -0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 5bj3 n LEU 310 Cb 0.21 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 5bj3 n LEU 310 CO 0.35 0.13 -0.01 0.61 -1.33 0.00 0.00 177.39 177.14 5bj3 n GLY 311 N 1.35 0.43 3.62 -0.72 0.00 0.02 -5.02 105.19 104.87 5bj3 n GLY 311 Ca 0.12 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 5bj3 n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5bj3 s LEU 312 N -0.21 4.07 0.32 0.99 1.43 -0.01 -4.99 118.68 120.28 5bj3 s LEU 312 Ca 0.00 0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 53.27 5bj3 s LEU 312 Cb 0.00 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.57 5bj3 s LEU 312 CO 0.00 -0.21 1.09 -0.54 0.23 0.00 0.00 176.35 176.93 5bj3 s LYS 313 N 2.01 4.46 -0.29 1.70 1.02 -1.26 -4.12 119.74 123.26 5bj3 s LYS 313 Ca 0.19 1.74 -0.16 0.00 0.02 0.00 0.00 55.97 57.75 5bj3 s LYS 313 Cb -0.15 -2.98 0.14 0.00 -0.52 0.00 0.00 37.83 34.32 5bj3 s LYS 313 CO 0.09 0.07 0.95 0.00 -0.92 0.00 0.00 175.35 175.54 5bj3 s ALA 314 N -1.31 -2.23 0.09 5.17 0.00 -1.26 -1.04 121.76 121.17 5bj3 s ALA 314 Ca 0.49 2.22 -0.30 0.00 0.00 0.00 0.00 51.96 54.37 5bj3 s ALA 314 Cb -0.29 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.09 5bj3 s ALA 314 CO 0.38 -0.35 1.19 0.08 0.00 0.00 0.00 175.76 177.06 5bj3 s VAL 315 N 1.35 3.97 -0.06 0.00 1.01 -1.26 -4.96 120.40 120.45 5bj3 s VAL 315 Ca -0.09 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.06 5bj3 s VAL 315 Cb -0.04 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 5bj3 s VAL 315 CO -0.15 0.14 1.74 -0.60 0.00 0.00 0.00 175.10 176.23 5bj3 s ARG 316 N 0.78 4.08 0.35 2.72 3.52 -1.26 -4.70 118.95 124.44 5bj3 s ARG 316 Ca 0.57 2.21 -0.22 0.00 -0.13 0.00 0.00 55.73 58.16 5bj3 s ARG 316 Cb -0.30 -4.05 -0.10 0.00 -1.56 0.00 0.00 34.95 28.95 5bj3 s ARG 316 CO 0.31 -0.98 0.90 -1.25 -0.81 0.00 0.00 175.30 173.47 5bj3 s PRO 317 N 4.30 4.34 0.00 5.12 0.04 -1.26 -4.87 135.00 142.66 5bj3 s PRO 317 Ca 0.77 1.12 0.09 0.00 0.04 0.00 0.00 61.00 63.02 5bj3 s PRO 317 Cb -0.34 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 5bj3 s PRO 317 CO 0.32 0.16 0.50 0.43 0.04 0.00 0.00 177.00 178.45 5bj3 n SER 318 N 0.01 0.82 -3.64 6.66 7.64 0.00 -4.98 113.62 120.14 5bj3 n SER 318 Ca 0.04 -0.91 -0.11 0.00 1.01 0.00 0.00 58.87 58.90 5bj3 n SER 318 Cb 0.52 0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 64.39 5bj3 n SER 318 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 5bj3 s GLY 319 N -1.53 0.87 0.00 0.23 0.00 -0.42 -0.25 107.32 106.21 5bj3 s GLY 319 Ca 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.67 5bj3 s GLY 319 CO 0.29 -0.75 0.00 0.00 0.00 0.00 0.00 173.10 172.65 5bj3 n ALA 320 N -0.46 0.00 -2.67 3.20 0.00 0.34 -4.49 120.51 116.44 5bj3 n ALA 320 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 5bj3 n ALA 320 Cb 0.62 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.10 5bj3 n ALA 320 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 5bj3 n PHE 321 N -0.11 1.54 -4.34 0.00 1.16 -1.26 -4.91 117.46 109.53 5bj3 n PHE 321 Ca 0.00 -2.39 -0.21 0.00 -1.87 0.00 0.00 57.45 52.98 5bj3 n PHE 321 Cb 0.00 -0.28 -0.11 0.00 -1.61 0.00 0.00 39.48 37.49 5bj3 n PHE 321 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 5bj3 s TYR 322 N -3.58 1.81 -0.12 2.97 2.02 -1.26 -1.54 117.35 117.66 5bj3 s TYR 322 Ca 0.31 -0.49 -0.05 0.00 -0.37 0.00 0.00 57.07 56.47 5bj3 s TYR 322 Cb 0.37 -0.88 0.06 0.00 -0.40 0.00 0.00 41.96 41.11 5bj3 s TYR 322 CO -0.02 0.36 0.25 0.08 -1.57 0.00 0.00 175.55 174.66 5bj3 s VAL 323 N -2.35 -0.24 -0.36 0.71 1.01 0.28 -4.48 120.40 114.98 5bj3 s VAL 323 Ca 0.19 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 5bj3 s VAL 323 Cb -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.93 5bj3 s VAL 323 CO 0.07 0.09 0.58 -0.76 0.00 0.00 0.00 175.10 175.09 5bj3 s LEU 324 N 1.89 4.31 -0.17 3.92 1.43 -1.26 -0.37 118.68 128.44 5bj3 s LEU 324 Ca -0.03 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 5bj3 s LEU 324 Cb -0.11 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 5bj3 s LEU 324 CO -0.08 -0.56 0.11 -0.32 0.23 0.00 0.00 176.35 175.73 5bj3 s MET 325 N 2.58 3.90 -0.15 1.70 -2.45 0.02 -4.03 119.30 120.86 5bj3 s MET 325 Ca 0.22 -0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 54.13 5bj3 s MET 325 Cb -0.15 -3.29 -0.02 0.00 1.25 0.00 0.00 34.83 32.62 5bj3 s MET 325 CO 0.14 0.44 1.32 0.34 1.05 0.00 0.00 175.02 178.31 5bj3 s ASP 326 N -0.05 6.89 -0.05 1.11 -1.08 -0.21 -1.29 116.67 122.00 5bj3 s ASP 326 Ca 0.09 1.76 0.14 0.00 -0.52 0.00 0.00 52.55 54.02 5bj3 s ASP 326 Cb -0.12 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.30 5bj3 s ASP 326 CO 0.00 -0.80 1.38 0.35 0.52 0.00 0.00 175.17 176.62 5bj3 n THR 327 N 5.42 1.04 -0.22 1.71 -2.24 -0.62 -4.49 114.28 114.89 5bj3 n THR 327 Ca 0.14 -0.77 -0.01 0.00 -2.27 0.00 0.00 64.05 61.14 5bj3 n THR 327 Cb 0.45 0.15 0.06 0.00 -2.10 0.00 0.00 70.33 68.89 5bj3 n THR 327 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 5bj3 h SER 328 N 2.97 -0.74 0.68 3.42 0.02 -1.76 -0.20 113.55 117.95 5bj3 h SER 328 Ca 0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 5bj3 h SER 328 Cb 0.93 0.45 0.00 0.00 0.14 0.00 0.00 62.40 63.92 5bj3 h SER 328 CO 0.10 -0.24 0.00 -0.81 -1.14 0.00 0.00 176.83 174.73 5bj3 n PRO 329 N -5.45 0.16 -0.08 3.45 -0.04 -1.26 -3.54 135.00 128.23 5bj3 n PRO 329 Ca 0.07 0.39 -0.21 0.00 -0.04 0.00 0.00 63.50 63.71 5bj3 n PRO 329 Cb 0.35 -1.80 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 5bj3 n PRO 329 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 5bj3 h ILE 330 N 0.00 0.93 -2.76 0.52 1.08 -1.40 -3.50 117.51 112.38 5bj3 h ILE 330 Ca 0.00 -2.22 0.06 0.00 -0.39 0.00 0.00 64.86 62.32 5bj3 h ILE 330 Cb 0.34 2.34 -0.10 0.00 -3.07 0.00 0.00 36.82 36.33 5bj3 h ILE 330 CO 0.00 0.41 0.31 0.00 -0.69 0.00 0.00 178.15 178.18 5bj3 s ALA 331 N -2.38 -1.53 0.20 1.87 0.00 -0.80 -4.87 121.76 114.25 5bj3 s ALA 331 Ca -0.27 0.28 0.34 0.00 0.00 0.00 0.00 51.96 52.31 5bj3 s ALA 331 Cb 0.05 0.75 1.74 0.00 0.00 0.00 0.00 23.12 25.67 5bj3 s ALA 331 CO 0.63 -0.88 2.04 -1.00 0.00 0.00 0.00 175.76 176.54 5bj3 h PRO 332 N 2.00 0.00 -3.35 0.00 0.13 -1.84 -3.37 132.00 125.57 5bj3 h PRO 332 Ca -0.26 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 5bj3 h PRO 332 Cb 1.27 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.25 5bj3 h PRO 332 CO 0.30 0.00 -0.17 0.16 -0.23 0.00 0.00 178.00 178.07 5bj3 s ASP 333 N -4.87 -0.17 0.27 1.44 1.47 -1.26 -4.94 116.67 108.62 5bj3 s ASP 333 Ca -0.02 -0.26 0.01 0.00 1.18 0.00 0.00 52.55 53.45 5bj3 s ASP 333 Cb 0.10 0.41 0.60 0.00 -0.34 0.00 0.00 42.92 43.69 5bj3 s ASP 333 CO 0.38 -0.73 1.75 -0.33 0.68 0.00 0.00 175.17 176.92 5bj3 h GLU 334 N 2.77 0.59 0.11 2.11 3.07 -1.86 -0.79 114.58 120.57 5bj3 h GLU 334 Ca -0.33 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.49 5bj3 h GLU 334 Cb 1.22 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 5bj3 h GLU 334 CO 0.47 0.39 -0.05 0.28 -1.40 0.00 0.00 179.01 178.70 5bj3 h VAL 335 N 0.61 0.91 -0.65 3.13 2.07 -1.97 0.26 116.25 120.61 5bj3 h VAL 335 Ca 0.50 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.94 5bj3 h VAL 335 Cb 0.76 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 5bj3 h VAL 335 CO -0.39 0.01 0.30 0.03 0.02 0.00 0.00 177.57 177.54 5bj3 h ARG 336 N -0.16 0.94 -0.70 1.57 2.47 -1.87 -1.47 114.38 115.16 5bj3 h ARG 336 Ca -0.01 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.54 5bj3 h ARG 336 Cb 0.13 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 5bj3 h ARG 336 CO 0.02 0.76 0.37 0.00 0.56 0.00 0.00 179.97 181.68 5bj3 h ALA 337 N 1.13 0.90 -0.75 0.04 0.00 -0.97 -0.49 119.26 119.11 5bj3 h ALA 337 Ca 0.22 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 5bj3 h ALA 337 Cb 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 5bj3 h ALA 337 CO -0.03 0.43 0.28 0.00 0.00 0.00 0.00 179.25 179.93 5bj3 h ALA 338 N 1.18 1.07 -0.37 0.00 0.00 -0.13 -1.88 119.26 119.13 5bj3 h ALA 338 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 5bj3 h ALA 338 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 5bj3 h ALA 338 CO -0.04 0.65 -0.03 0.93 0.00 0.00 0.00 179.25 180.76 5bj3 h GLU 339 N 1.10 0.68 -0.31 0.00 5.08 -0.82 -1.53 114.58 118.79 5bj3 h GLU 339 Ca 0.25 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 5bj3 h GLU 339 Cb 0.24 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 5bj3 h GLU 339 CO -0.02 0.80 0.19 0.00 -1.00 0.00 0.00 179.01 178.99 5bj3 h ARG 340 N 0.49 0.39 -0.17 2.33 3.08 -0.87 -1.24 114.38 118.38 5bj3 h ARG 340 Ca 0.10 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 5bj3 h ARG 340 Cb 0.52 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 5bj3 h ARG 340 CO 0.03 0.26 -0.13 -0.07 -1.07 0.00 0.00 179.97 178.98 5bj3 h LEU 341 N 0.40 0.27 -0.42 3.04 3.38 -1.30 -2.03 115.31 118.64 5bj3 h LEU 341 Ca 0.12 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 5bj3 h LEU 341 Cb -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 5bj3 h LEU 341 CO -0.04 0.43 0.01 0.25 0.09 0.00 0.00 178.44 179.18 5bj3 h LEU 342 N 0.26 0.72 -1.36 1.67 6.46 -0.66 0.30 115.31 122.71 5bj3 h LEU 342 Ca 0.05 -0.30 0.04 0.00 -0.12 0.00 0.00 57.88 57.55 5bj3 h LEU 342 Cb 0.40 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 5bj3 h LEU 342 CO 0.02 0.84 0.46 -0.33 -0.62 0.00 0.00 178.44 178.82 5bj3 h GLU 343 N 0.58 0.80 0.00 1.25 4.39 -0.77 -0.38 114.58 120.46 5bj3 h GLU 343 Ca 0.12 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.77 5bj3 h GLU 343 Cb 0.46 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 5bj3 h GLU 343 CO 0.02 0.53 0.00 0.00 -1.16 0.00 0.00 179.01 178.40 5bj3 n ALA 344 N -2.44 2.49 -0.94 3.43 0.00 -0.81 -4.90 120.51 117.34 5bj3 n ALA 344 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.37 5bj3 n ALA 344 Cb 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.12 5bj3 n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5bj3 n GLY 345 N 1.00 1.11 2.83 0.00 0.00 -0.15 -4.90 105.19 105.08 5bj3 n GLY 345 Ca 0.17 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 5bj3 n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5bj3 s VAL 346 N -2.00 0.66 -0.22 1.61 1.01 0.03 -1.66 120.40 119.83 5bj3 s VAL 346 Ca 0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 5bj3 s VAL 346 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 5bj3 s VAL 346 CO 0.00 0.31 0.49 0.00 0.00 0.00 0.00 175.10 175.89 5bj3 s ALA 347 N 1.83 3.56 0.17 5.51 0.00 0.28 -2.90 121.76 130.20 5bj3 s ALA 347 Ca 0.04 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.55 5bj3 s ALA 347 Cb -0.12 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 5bj3 s ALA 347 CO -0.06 -0.49 -0.05 0.08 0.00 0.00 0.00 175.76 175.23 5bj3 s VAL 348 N 1.74 1.01 -0.33 0.00 1.01 -1.26 -0.56 120.40 122.02 5bj3 s VAL 348 Ca 0.22 -2.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.05 5bj3 s VAL 348 Cb -0.15 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 5bj3 s VAL 348 CO 0.09 -0.59 0.22 -0.69 0.00 0.00 0.00 175.10 174.14 5bj3 s VAL 349 N -3.43 5.23 0.29 2.92 1.01 -1.07 -4.95 120.40 120.40 5bj3 s VAL 349 Ca 0.21 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 5bj3 s VAL 349 Cb 0.04 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 5bj3 s VAL 349 CO 0.03 0.05 1.44 -2.16 0.00 0.00 0.00 175.10 174.46 5bj3 s PRO 350 N 1.72 4.24 0.00 2.72 0.04 -1.26 0.20 135.00 142.66 5bj3 s PRO 350 Ca 0.06 2.36 0.09 0.00 0.04 0.00 0.00 61.00 63.55 5bj3 s PRO 350 Cb -0.17 -3.07 0.53 0.00 0.04 0.00 0.00 34.50 31.83 5bj3 s PRO 350 CO 0.10 -0.41 1.11 0.41 0.04 0.00 0.00 177.00 178.25 5bj3 n GLY 351 N 1.59 -0.71 0.38 0.56 0.00 -0.29 -4.24 105.19 102.49 5bj3 n GLY 351 Ca 0.04 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 5bj3 n GLY 351 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 5bj3 h THR 352 N 0.00 0.21 0.00 2.61 2.02 -1.80 0.19 112.91 116.14 5bj3 h THR 352 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 5bj3 h THR 352 Cb 0.00 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 5bj3 h THR 352 CO 0.00 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.36 5bj3 n ASP 353 N -5.44 0.48 -0.32 4.18 8.00 -1.26 -1.36 116.55 120.83 5bj3 n ASP 353 Ca -0.06 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.21 5bj3 n ASP 353 Cb 0.36 -0.73 0.21 0.00 -0.02 0.00 0.00 41.12 40.93 5bj3 n ASP 353 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 5bj3 n PHE 354 N -2.05 0.00 -1.89 1.24 3.72 -0.80 -4.43 117.46 113.25 5bj3 n PHE 354 Ca 0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.32 5bj3 n PHE 354 Cb 0.16 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 5bj3 n PHE 354 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 5bj3 n ALA 355 N -0.49 -0.24 -3.08 4.37 0.00 -0.46 -0.96 120.51 119.65 5bj3 n ALA 355 Ca 0.10 0.10 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 5bj3 n ALA 355 Cb 0.39 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 5bj3 n ALA 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5bj3 n ALA 356 N -0.61 4.93 -1.77 0.00 0.00 0.58 -4.57 120.51 119.08 5bj3 n ALA 356 Ca -0.11 -4.77 -0.38 0.00 0.00 0.00 0.00 53.44 48.18 5bj3 n ALA 356 Cb 0.50 -1.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 5bj3 n ALA 356 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 5bj3 s PHE 357 N -2.97 2.79 0.00 0.00 0.08 -1.26 -2.51 117.98 114.11 5bj3 s PHE 357 Ca 0.36 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.88 5bj3 s PHE 357 Cb 0.12 -3.55 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 5bj3 s PHE 357 CO 0.02 -1.91 0.00 0.41 -0.10 0.00 0.00 175.22 173.64 5bj3 n GLY 358 N 0.60 0.54 3.18 4.36 0.00 -1.26 -5.00 105.19 107.61 5bj3 n GLY 358 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 5bj3 n GLY 358 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 5bj3 s HIS 359 N -2.30 1.06 -0.01 1.61 3.76 -1.05 -1.58 115.29 116.79 5bj3 s HIS 359 Ca 0.00 -0.66 0.05 0.00 -0.15 0.00 0.00 55.06 54.30 5bj3 s HIS 359 Cb 0.00 -0.58 -0.01 0.00 1.11 0.00 0.00 32.58 33.10 5bj3 s HIS 359 CO 0.00 -0.00 -0.15 0.54 -0.85 0.00 0.00 174.74 174.28 5bj3 s VAL 360 N -2.45 1.21 -0.23 -0.90 0.11 -0.41 -1.13 120.40 116.59 5bj3 s VAL 360 Ca 0.05 -0.65 -0.16 0.00 -2.93 0.00 0.00 61.98 58.30 5bj3 s VAL 360 Cb -0.03 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 5bj3 s VAL 360 CO -0.00 0.34 0.41 -0.60 -3.33 0.00 0.00 175.10 171.92 5bj3 s ARG 361 N -0.31 4.12 -0.10 1.54 3.00 0.13 -0.80 118.95 126.52 5bj3 s ARG 361 Ca 0.05 0.18 -0.03 0.00 -1.00 0.00 0.00 55.73 54.93 5bj3 s ARG 361 Cb -0.06 -3.58 -0.03 0.00 0.00 0.00 0.00 34.95 31.27 5bj3 s ARG 361 CO -0.00 -0.15 0.03 -0.51 0.00 0.00 0.00 175.30 174.67 5bj3 s LEU 362 N 1.66 3.72 -0.16 -0.88 1.43 0.50 -2.59 118.68 122.36 5bj3 s LEU 362 Ca 0.18 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.46 5bj3 s LEU 362 Cb -0.15 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 5bj3 s LEU 362 CO 0.09 0.36 -0.14 -0.55 0.23 0.00 0.00 176.35 176.34 5bj3 s SER 363 N -0.77 3.77 -0.54 2.29 0.15 -0.53 -0.56 113.70 117.52 5bj3 s SER 363 Ca 0.12 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.35 5bj3 s SER 363 Cb -0.12 -1.59 0.50 0.00 -1.71 0.00 0.00 66.02 63.10 5bj3 s SER 363 CO 0.02 0.09 1.84 0.00 1.20 0.00 0.00 173.24 176.39 5bj3 n TYR 364 N 4.04 2.95 -1.66 3.44 0.18 -0.59 -4.63 117.16 120.89 5bj3 n TYR 364 Ca -0.19 -2.58 -0.34 0.00 1.88 0.00 0.00 57.90 56.68 5bj3 n TYR 364 Cb 0.52 -1.11 0.01 0.00 -0.38 0.00 0.00 39.34 38.37 5bj3 n TYR 364 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 5bj3 n ALA 365 N -0.95 6.42 -2.35 -3.48 0.00 -1.26 -4.87 120.51 114.02 5bj3 n ALA 365 Ca 0.57 -3.55 -0.18 0.00 0.00 0.00 0.00 53.44 50.28 5bj3 n ALA 365 Cb 0.92 -2.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 5bj3 n ALA 365 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 5bj3 s THR 366 N -3.86 0.00 0.64 0.00 -4.23 -1.26 -4.00 115.64 102.93 5bj3 s THR 366 Ca 0.55 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 58.94 5bj3 s THR 366 Cb 0.41 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.73 5bj3 s THR 366 CO -0.29 0.00 1.14 -0.94 -0.54 0.00 0.00 174.62 173.99 5bj3 s SER 367 N -3.33 5.08 0.44 3.99 1.04 -1.26 -4.90 113.70 114.77 5bj3 s SER 367 Ca 0.39 2.15 0.12 0.00 0.48 0.00 0.00 55.95 59.10 5bj3 s SER 367 Cb 0.03 -2.57 0.99 0.00 0.10 0.00 0.00 66.02 64.57 5bj3 s SER 367 CO 0.25 -1.65 2.03 -0.33 0.98 0.00 0.00 173.24 174.52 5bj3 h GLU 368 N 0.34 0.17 -0.05 4.02 5.08 -1.98 -2.19 114.58 119.96 5bj3 h GLU 368 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 5bj3 h GLU 368 Cb 1.27 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 5bj3 h GLU 368 CO 0.54 0.22 0.03 1.49 -1.00 0.00 0.00 179.01 180.29 5bj3 h GLU 369 N 0.17 0.07 -0.26 2.33 4.81 -1.99 0.14 114.58 119.85 5bj3 h GLU 369 Ca 0.04 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 5bj3 h GLU 369 Cb 0.16 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 5bj3 h GLU 369 CO 0.01 0.06 0.01 -0.91 -0.73 0.00 0.00 179.01 177.44 5bj3 h ASN 370 N 0.06 0.35 -0.15 1.04 2.35 -1.79 -0.56 115.58 116.88 5bj3 h ASN 370 Ca 0.02 -0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 5bj3 h ASN 370 Cb 0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 5bj3 h ASN 370 CO -0.00 0.40 -0.38 -0.07 -1.65 0.00 0.00 177.43 175.73 5bj3 h LEU 371 N 0.37 0.71 -0.26 1.61 3.38 -0.84 -1.36 115.31 118.91 5bj3 h LEU 371 Ca 0.09 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 5bj3 h LEU 371 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 5bj3 h LEU 371 CO 0.00 1.01 -0.07 0.03 0.09 0.00 0.00 178.44 179.50 5bj3 h ARG 372 N 0.55 0.51 -0.78 1.13 3.08 -0.20 -1.96 114.38 116.72 5bj3 h ARG 372 Ca 0.05 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 5bj3 h ARG 372 Cb 0.90 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 5bj3 h ARG 372 CO 0.08 0.73 0.44 0.87 -1.07 0.00 0.00 179.97 181.02 5bj3 h LYS 373 N 0.26 1.07 -0.40 0.04 1.57 -1.03 -1.10 116.57 116.97 5bj3 h LYS 373 Ca 0.07 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 5bj3 h LYS 373 Cb 0.55 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 5bj3 h LYS 373 CO 0.03 0.76 0.03 0.00 -0.57 0.00 0.00 179.45 179.70 5bj3 h ALA 374 N 1.41 0.54 -0.73 3.86 0.00 -1.12 -1.96 119.26 121.26 5bj3 h ALA 374 Ca 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 5bj3 h ALA 374 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 5bj3 h ALA 374 CO -0.05 0.29 0.34 -0.07 0.00 0.00 0.00 179.25 179.76 5bj3 h LEU 375 N 0.53 0.95 -0.31 0.00 3.38 -0.96 0.36 115.31 119.27 5bj3 h LEU 375 Ca 0.12 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.98 5bj3 h LEU 375 Cb 0.43 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 5bj3 h LEU 375 CO 0.02 0.81 0.19 -0.08 0.09 0.00 0.00 178.44 179.47 5bj3 h GLU 376 N 1.04 0.38 -0.33 1.13 4.81 -0.98 -1.87 114.58 118.76 5bj3 h GLU 376 Ca 0.25 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 5bj3 h GLU 376 Cb 0.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 5bj3 h GLU 376 CO -0.03 0.25 0.12 0.00 -0.73 0.00 0.00 179.01 178.62 5bj3 h ARG 377 N 0.39 0.50 -0.90 1.92 2.47 -0.81 -2.53 114.38 115.42 5bj3 h ARG 377 Ca 0.12 -0.10 0.16 0.00 -1.26 0.00 0.00 59.98 58.90 5bj3 h ARG 377 Cb -0.02 -0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 28.13 5bj3 h ARG 377 CO -0.05 0.52 0.49 0.74 0.56 0.00 0.00 179.97 182.23 5bj3 h PHE 378 N 0.38 0.86 -0.45 3.04 -1.00 -0.63 -0.51 116.94 118.63 5bj3 h PHE 378 Ca 0.11 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.89 5bj3 h PHE 378 Cb 0.21 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 5bj3 h PHE 378 CO 0.00 0.19 0.17 0.00 -1.61 0.00 0.00 178.31 177.06 5bj3 h ALA 379 N 1.59 0.59 0.00 2.45 0.00 -0.99 -2.32 119.26 120.59 5bj3 h ALA 379 Ca 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 5bj3 h ALA 379 Cb 0.75 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 5bj3 h ALA 379 CO -0.38 0.21 -0.03 0.00 0.00 0.00 0.00 179.25 179.06 5bj3 h ARG 380 N 0.59 0.00 0.00 0.00 3.08 -0.71 -0.18 114.38 117.16 5bj3 h ARG 380 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 5bj3 h ARG 380 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 5bj3 h ARG 380 CO -0.01 0.03 -0.15 0.28 -1.07 0.00 0.00 179.97 179.04 5bj3 h VAL 381 N 0.00 0.00 -0.01 2.04 2.07 -0.80 -3.52 116.25 116.04 5bj3 h VAL 381 Ca -0.00 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 5bj3 h VAL 381 Cb 0.09 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 5bj3 h VAL 381 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77