#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bb0 s VAL 17 N 0.00 3.70 -1.25 1.39 1.01 0.39 -4.02 120.40 121.62 1bb0 s VAL 17 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1bb0 s VAL 17 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1bb0 s VAL 17 CO 0.00 0.49 0.12 -0.62 0.00 0.00 0.00 175.10 175.08 1bb0 n GLU 18 N 3.72 -1.83 0.00 2.72 -0.58 -1.26 -2.22 120.64 121.19 1bb0 n GLU 18 Ca -0.18 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 1bb0 n GLU 18 Cb 0.52 -5.05 0.00 0.00 -0.57 0.00 0.00 31.44 26.34 1bb0 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bb0 n GLY 19 N -1.09 1.66 3.47 0.62 0.00 -1.26 -4.71 105.19 103.88 1bb0 n GLY 19 Ca -0.15 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 1bb0 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bb0 s SER 20 N -1.00 -0.06 0.40 1.61 1.04 -0.83 -4.94 113.70 109.92 1bb0 s SER 20 Ca 0.00 -0.87 -0.26 0.00 0.48 0.00 0.00 55.95 55.29 1bb0 s SER 20 Cb 0.00 0.52 -0.09 0.00 0.10 0.00 0.00 66.02 66.55 1bb0 s SER 20 CO 0.00 -1.02 1.33 -1.81 0.98 0.00 0.00 173.24 172.71 1bb0 s ASP 21 N -2.99 6.34 0.53 7.02 1.01 -1.26 -1.02 116.67 126.30 1bb0 s ASP 21 Ca 0.20 2.71 -0.17 0.00 0.71 0.00 0.00 52.55 56.00 1bb0 s ASP 21 Cb 0.01 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.23 1bb0 s ASP 21 CO 0.04 -0.84 1.01 0.00 0.21 0.00 0.00 175.17 175.60 1bb0 s ALA 22 N -1.23 2.93 0.41 5.23 0.00 0.21 -4.76 121.76 124.55 1bb0 s ALA 22 Ca 0.56 0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.60 1bb0 s ALA 22 Cb -0.39 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 1bb0 s ALA 22 CO 0.51 -0.42 0.97 -1.21 0.00 0.00 0.00 175.76 175.62 1bb0 s GLU 23 N -3.93 4.24 0.35 0.00 2.02 -1.26 -4.87 118.70 115.24 1bb0 s GLU 23 Ca 0.62 1.24 -0.29 0.00 0.02 0.00 0.00 54.97 56.56 1bb0 s GLU 23 Cb -0.13 -2.34 -0.11 0.00 0.10 0.00 0.00 34.13 31.65 1bb0 s GLU 23 CO 0.31 -0.04 1.50 -0.89 0.02 0.00 0.00 175.26 176.16 1bb0 n ILE 24 N -0.37 1.75 -1.52 -1.63 2.08 -1.26 -1.63 119.36 116.78 1bb0 n ILE 24 Ca 0.06 -0.44 -0.18 0.00 0.56 0.00 0.00 62.75 62.75 1bb0 n ILE 24 Cb 0.52 -1.94 -0.08 0.00 -0.75 0.00 0.00 39.64 37.40 1bb0 n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1bb0 n GLY 25 N 0.90 1.73 0.25 7.39 0.00 -1.26 -4.91 105.19 109.29 1bb0 n GLY 25 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1bb0 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1bb0 h MET 26 N 0.00 0.00 -1.20 1.61 -1.53 -1.69 -3.36 114.93 108.76 1bb0 h MET 26 Ca -0.37 0.00 -0.42 0.00 -3.44 0.00 0.00 59.70 55.47 1bb0 h MET 26 Cb 1.20 0.00 -0.29 0.00 -0.55 0.00 0.00 31.60 31.96 1bb0 h MET 26 CO 0.54 0.08 -0.86 0.45 0.14 0.00 0.00 176.91 177.26 1bb0 n SER 27 N -3.20 -1.03 0.00 1.39 2.88 -1.26 -4.99 113.62 107.41 1bb0 n SER 27 Ca 0.01 -2.96 0.09 0.00 -1.33 0.00 0.00 58.87 54.68 1bb0 n SER 27 Cb 0.37 0.36 0.46 0.00 -0.75 0.00 0.00 64.21 64.64 1bb0 n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bb0 n PRO 28 N 1.44 0.22 0.00 -1.46 -0.04 -1.26 -0.76 135.00 133.15 1bb0 n PRO 28 Ca 0.16 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 1bb0 n PRO 28 Cb 0.58 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.79 1bb0 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bb0 n TRP 29 N -1.32 0.00 -2.18 0.54 2.14 -1.03 -1.46 117.44 114.12 1bb0 n TRP 29 Ca 0.08 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.23 1bb0 n TRP 29 Cb 0.16 -0.03 -0.03 0.00 -0.81 0.00 0.00 31.31 30.60 1bb0 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1bb0 s GLN 30 N -2.26 4.27 0.07 -2.67 2.00 0.06 -1.08 119.66 120.05 1bb0 s GLN 30 Ca 0.27 2.02 0.08 0.00 -2.00 0.00 0.00 55.36 55.73 1bb0 s GLN 30 Cb 0.20 -3.59 -0.03 0.00 0.80 0.00 0.00 33.01 30.38 1bb0 s GLN 30 CO 0.44 -0.60 -0.21 0.08 -0.50 0.00 0.00 175.29 174.50 1bb0 s VAL 31 N 2.48 2.62 -0.21 1.34 1.01 -0.94 -4.13 120.40 122.57 1bb0 s VAL 31 Ca 0.65 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1bb0 s VAL 31 Cb -0.32 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1bb0 s VAL 31 CO 0.27 0.25 -0.00 -0.32 0.00 0.00 0.00 175.10 175.31 1bb0 s MET 32 N -1.65 3.59 -0.37 2.72 1.75 -0.27 -1.05 119.30 124.03 1bb0 s MET 32 Ca 0.15 -0.53 -0.22 0.00 -1.25 0.00 0.00 55.69 53.84 1bb0 s MET 32 Cb -0.10 -3.09 0.01 0.00 2.84 0.00 0.00 34.83 34.49 1bb0 s MET 32 CO 0.06 -0.03 0.70 -1.17 -0.65 0.00 0.00 175.02 173.93 1bb0 s LEU 33 N 1.10 4.23 -0.12 4.11 0.20 0.39 -1.61 118.68 126.98 1bb0 s LEU 33 Ca 0.02 0.17 0.03 0.00 0.69 0.00 0.00 54.13 55.04 1bb0 s LEU 33 Cb -0.14 -2.88 0.00 0.00 -0.43 0.00 0.00 46.19 42.74 1bb0 s LEU 33 CO 0.01 -0.68 -0.22 0.12 -0.29 0.00 0.00 176.35 175.30 1bb0 s PHE 34 N 2.90 2.63 -0.11 5.38 5.36 1.00 -0.57 117.98 134.56 1bb0 s PHE 34 Ca 0.27 -1.11 -0.25 0.00 -0.96 0.00 0.00 56.93 54.88 1bb0 s PHE 34 Cb -0.14 -1.77 -0.02 0.00 -0.34 0.00 0.00 43.02 40.75 1bb0 s PHE 34 CO 0.16 -0.47 0.80 0.50 -1.46 0.00 0.00 175.22 174.76 1bb0 s ARG 35 N 0.53 4.37 0.00 10.12 3.52 0.22 -0.04 118.95 137.67 1bb0 s ARG 35 Ca -0.14 1.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 1bb0 s ARG 35 Cb -0.17 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1bb0 s ARG 35 CO 0.05 -0.16 0.56 1.63 -0.81 0.00 0.00 175.30 176.56 1bb0 n LYS 36 N 4.58 0.65 -0.83 5.12 5.02 -1.10 -1.23 118.16 130.37 1bb0 n LYS 36 Ca 0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 1bb0 n LYS 36 Cb 0.50 -1.09 0.03 0.00 -0.02 0.00 0.00 35.03 34.45 1bb0 n LYS 36 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1bb0 n PRO 37 N -0.32 0.00 -3.19 1.97 -0.04 -1.26 -4.76 135.00 127.41 1bb0 n PRO 37 Ca 0.00 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 1bb0 n PRO 37 Cb 0.04 -0.83 -0.05 0.00 -0.04 0.00 0.00 33.50 32.61 1bb0 n PRO 37 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1bb0 s GLN 38 N -1.67 3.05 0.04 0.54 -0.44 -1.22 -5.01 119.66 114.95 1bb0 s GLN 38 Ca 0.32 -1.27 -0.02 0.00 -2.50 0.00 0.00 55.36 51.89 1bb0 s GLN 38 Cb -0.05 -4.21 -0.03 0.00 -1.64 0.00 0.00 33.01 27.08 1bb0 s GLN 38 CO 0.64 -1.36 -0.00 -1.83 0.50 0.00 0.00 175.29 173.23 1bb0 s GLU 39 N 2.38 0.53 -0.33 1.67 -1.05 -0.37 -4.91 118.70 116.62 1bb0 s GLU 39 Ca 0.10 -0.96 -0.29 0.00 -0.15 0.00 0.00 54.97 53.67 1bb0 s GLU 39 Cb -0.24 0.19 -0.00 0.00 -0.44 0.00 0.00 34.13 33.64 1bb0 s GLU 39 CO 0.07 -0.10 1.48 -1.17 0.95 0.00 0.00 175.26 176.48 1bb0 s LEU 40 N -2.38 3.73 -0.12 1.83 2.96 -1.26 0.72 118.68 124.16 1bb0 s LEU 40 Ca -0.01 1.17 -0.28 0.00 -0.22 0.00 0.00 54.13 54.79 1bb0 s LEU 40 Cb 0.01 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.91 1bb0 s LEU 40 CO -0.07 -1.33 0.82 -0.07 -1.32 0.00 0.00 176.35 174.39 1bb0 h LEU 41 N 11.90 0.06 -7.59 -0.68 4.07 -1.19 -3.48 115.31 118.40 1bb0 h LEU 41 Ca -0.29 -0.96 0.35 0.00 0.08 0.00 0.00 57.88 57.06 1bb0 h LEU 41 Cb 1.12 -0.02 -0.09 0.00 1.08 0.00 0.00 40.66 42.75 1bb0 h LEU 41 CO 1.04 1.02 0.90 0.00 -1.08 0.00 0.00 178.44 180.32 1bb0 n GLY 43 N -0.72 -0.04 3.73 0.00 0.00 0.11 -0.46 105.19 107.81 1bb0 n GLY 43 Ca -0.02 -1.81 0.02 0.00 0.00 0.00 0.00 46.02 44.21 1bb0 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb0 s ALA 44 N -3.32 -2.38 0.02 4.61 0.00 -0.21 -3.91 121.76 116.57 1bb0 s ALA 44 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1bb0 s ALA 44 Cb 0.00 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1bb0 s ALA 44 CO 0.00 -1.09 -0.02 -1.54 0.00 0.00 0.00 175.76 173.11 1bb0 s SER 45 N -3.27 0.21 -0.24 0.00 1.04 -0.08 -2.22 113.70 109.13 1bb0 s SER 45 Ca 0.20 -0.38 -0.16 0.00 0.48 0.00 0.00 55.95 56.08 1bb0 s SER 45 Cb 0.04 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 1bb0 s SER 45 CO -0.03 -0.22 0.43 -0.22 0.98 0.00 0.00 173.24 174.17 1bb0 s LEU 46 N -1.11 4.08 -0.00 2.42 0.20 -0.24 -0.12 118.68 123.91 1bb0 s LEU 46 Ca -0.12 0.44 0.07 0.00 0.69 0.00 0.00 54.13 55.21 1bb0 s LEU 46 Cb -0.08 -2.53 -0.09 0.00 -0.43 0.00 0.00 46.19 43.07 1bb0 s LEU 46 CO -0.01 -0.18 0.29 2.30 -0.29 0.00 0.00 176.35 178.46 1bb0 n ILE 47 N 4.88 0.00 -3.16 6.68 -5.35 -0.76 -1.57 119.36 120.07 1bb0 n ILE 47 Ca -0.07 -0.30 -0.01 0.00 -0.27 0.00 0.00 62.75 62.10 1bb0 n ILE 47 Cb 0.51 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 1bb0 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1bb0 n SER 48 N -1.27 -0.25 0.15 7.28 3.41 -1.21 -4.71 113.62 117.03 1bb0 n SER 48 Ca 0.01 -1.19 0.13 0.00 -0.26 0.00 0.00 58.87 57.56 1bb0 n SER 48 Cb 0.13 0.42 0.41 0.00 -0.26 0.00 0.00 64.21 64.91 1bb0 n SER 48 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1bb0 h ASP 49 N 0.23 0.00 0.00 4.04 2.03 -1.97 -3.24 116.42 117.51 1bb0 h ASP 49 Ca -0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 1bb0 h ASP 49 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1bb0 h ASP 49 CO 0.05 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.80 1bb0 n ARG 50 N -2.53 -0.38 -4.71 4.15 1.74 -1.26 -0.17 116.66 113.50 1bb0 n ARG 50 Ca 0.04 -0.53 -0.26 0.00 -0.77 0.00 0.00 57.85 56.34 1bb0 n ARG 50 Cb 0.39 -0.91 -0.16 0.00 -1.02 0.00 0.00 32.46 30.76 1bb0 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1bb0 s TRP 51 N -0.11 1.61 -0.01 -1.55 0.52 -1.23 -1.13 118.94 117.04 1bb0 s TRP 51 Ca 0.00 -0.56 0.05 0.00 0.02 0.00 0.00 56.10 55.61 1bb0 s TRP 51 Cb 0.00 -1.14 -0.03 0.00 -1.15 0.00 0.00 33.47 31.16 1bb0 s TRP 51 CO 0.00 -0.25 -0.15 0.08 0.02 0.00 0.00 176.95 176.65 1bb0 s VAL 52 N 0.43 2.99 -0.10 4.03 1.01 0.12 -1.82 120.40 127.06 1bb0 s VAL 52 Ca -0.12 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1bb0 s VAL 52 Cb -0.14 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1bb0 s VAL 52 CO 0.04 0.49 0.02 -0.22 0.00 0.00 0.00 175.10 175.42 1bb0 s LEU 53 N -1.03 3.66 0.00 3.92 2.96 0.83 -1.28 118.68 127.74 1bb0 s LEU 53 Ca 0.13 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1bb0 s LEU 53 Cb -0.11 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.74 1bb0 s LEU 53 CO 0.03 0.36 0.35 1.07 -1.32 0.00 0.00 176.35 176.84 1bb0 n THR 54 N 2.29 0.00 -3.03 3.68 5.66 -0.39 -0.90 114.28 121.59 1bb0 n THR 54 Ca -0.19 -1.07 -0.40 0.00 -3.05 0.00 0.00 64.05 59.34 1bb0 n THR 54 Cb 0.54 0.70 -0.05 0.00 -1.55 0.00 0.00 70.33 69.97 1bb0 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bb0 s ALA 55 N -2.25 3.35 0.47 1.79 0.00 -1.26 -1.23 121.76 122.64 1bb0 s ALA 55 Ca 0.17 0.18 0.14 0.00 0.00 0.00 0.00 51.96 52.46 1bb0 s ALA 55 Cb -0.01 -2.96 1.10 0.00 0.00 0.00 0.00 23.12 21.25 1bb0 s ALA 55 CO 0.13 -0.03 2.06 0.00 0.00 0.00 0.00 175.76 177.92 1bb0 h ALA 56 N 6.31 1.97 0.00 0.00 0.00 -1.72 -2.30 119.26 123.52 1bb0 h ALA 56 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1bb0 h ALA 56 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1bb0 h ALA 56 CO 0.73 -0.03 0.00 1.12 0.00 0.00 0.00 179.25 181.08 1bb0 h HIS 57 N 0.27 0.00 0.00 0.00 2.07 -1.91 0.03 115.15 115.61 1bb0 h HIS 57 Ca 0.14 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.65 1bb0 h HIS 57 Cb 0.23 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.21 1bb0 h HIS 57 CO -0.00 0.00 -0.06 0.00 -3.07 0.00 0.00 177.93 174.80 1bb0 n LEU 59 N -4.47 1.43 -3.64 0.00 4.77 -0.47 -4.86 117.00 109.77 1bb0 n LEU 59 Ca -0.03 -0.06 -0.20 0.00 -0.03 0.00 0.00 56.01 55.69 1bb0 n LEU 59 Cb 0.14 -0.16 -0.17 0.00 -2.33 0.00 0.00 43.42 40.91 1bb0 n LEU 59 CO 0.35 0.66 -0.29 -0.22 -1.33 0.00 0.00 177.39 176.55 1bb0 s LEU 60 N -5.82 0.09 0.11 2.23 2.96 -0.13 0.32 118.68 118.44 1bb0 s LEU 60 Ca -0.20 -0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 53.54 1bb0 s LEU 60 Cb 0.07 0.01 0.03 0.00 0.50 0.00 0.00 46.19 46.80 1bb0 s LEU 60 CO 0.64 -0.28 0.37 -0.47 -1.32 0.00 0.00 176.35 175.29 1bb0 s TYR 60 N 2.22 -0.15 0.00 5.38 5.04 0.14 -4.15 117.35 125.82 1bb0 s TYR 60 Ca 0.04 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.51 1bb0 s TYR 60 Cb -0.13 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.38 1bb0 s TYR 60 CO -0.06 -0.67 0.00 -2.30 -1.34 0.00 0.00 175.55 171.18 1bb0 n PRO 60 N -0.14 0.00 -0.28 4.97 -0.02 -1.26 -2.03 135.00 136.24 1bb0 n PRO 60 Ca -0.16 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.42 1bb0 n PRO 60 Cb 0.63 0.00 0.25 0.00 -0.02 0.00 0.00 33.50 34.36 1bb0 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1bb0 n TRP 60 N 0.00 0.74 -3.27 6.00 8.01 -1.26 -4.97 117.44 122.68 1bb0 n TRP 60 Ca 0.00 -0.45 -0.23 0.00 -1.31 0.00 0.00 57.50 55.50 1bb0 n TRP 60 Cb 0.00 -0.01 0.05 0.00 -2.01 0.00 0.00 31.31 29.34 1bb0 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bb0 n ASP 60 N 1.27 -6.12 -4.44 -0.99 8.00 -1.06 -4.99 116.55 108.21 1bb0 n ASP 60 Ca 0.20 -0.40 -0.40 0.00 0.71 0.00 0.00 54.79 54.90 1bb0 n ASP 60 Cb 0.55 -4.90 -0.11 0.00 -0.02 0.00 0.00 41.12 36.64 1bb0 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1bb0 s LYS 60 N -5.97 3.18 -0.42 -1.24 2.20 -0.86 -4.99 119.74 111.63 1bb0 s LYS 60 Ca 0.42 -0.84 0.06 0.00 -0.36 0.00 0.00 55.97 55.25 1bb0 s LYS 60 Cb -0.19 -3.70 0.21 0.00 -1.51 0.00 0.00 37.83 32.64 1bb0 s LYS 60 CO 0.52 -0.54 0.50 -1.71 -0.36 0.00 0.00 175.35 173.77 1bb0 n ASN 60 N 5.03 -0.83 -4.77 1.43 5.15 -1.23 0.25 115.26 120.28 1bb0 n ASN 60 Ca -0.13 -2.63 -0.38 0.00 -0.60 0.00 0.00 54.58 50.84 1bb0 n ASN 60 Cb 0.48 -0.09 -0.04 0.00 -0.53 0.00 0.00 39.78 39.60 1bb0 n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1bb0 s PHE 60 N -0.22 3.41 0.35 1.20 0.08 0.15 -5.00 117.98 117.94 1bb0 s PHE 60 Ca 0.33 1.67 0.08 0.00 0.12 0.00 0.00 56.93 59.13 1bb0 s PHE 60 Cb 0.10 -3.21 -0.03 0.00 -0.57 0.00 0.00 43.02 39.30 1bb0 s PHE 60 CO -0.16 -0.62 0.23 0.99 -0.10 0.00 0.00 175.22 175.57 1bb0 s THR 60 N -1.41 3.23 0.22 0.64 2.01 -1.26 -4.86 115.64 114.21 1bb0 s THR 60 Ca 0.51 -1.51 -0.08 0.00 0.31 0.00 0.00 61.69 60.92 1bb0 s THR 60 Cb -0.27 -3.08 0.16 0.00 0.01 0.00 0.00 72.50 69.31 1bb0 s THR 60 CO 0.35 -0.16 1.77 -0.33 -0.69 0.00 0.00 174.62 175.55 1bb0 h GLU 61 N 1.36 0.52 0.00 4.92 3.07 -1.95 -2.13 114.58 120.37 1bb0 h GLU 61 Ca -0.44 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1bb0 h GLU 61 Cb 1.25 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1bb0 h GLU 61 CO 0.61 0.34 0.00 0.09 -1.40 0.00 0.00 179.01 178.65 1bb0 n ASN 62 N -4.91 0.00 0.10 1.42 3.02 -1.26 -2.97 115.26 110.66 1bb0 n ASN 62 Ca 0.10 -0.33 0.07 0.00 -0.03 0.00 0.00 54.58 54.39 1bb0 n ASN 62 Cb 0.26 -0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1bb0 n ASN 62 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1bb0 h ASP 63 N 0.00 0.00 -2.01 6.41 3.32 -1.79 -3.48 116.42 118.87 1bb0 h ASP 63 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1bb0 h ASP 63 Cb 0.16 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.60 1bb0 h ASP 63 CO 0.00 0.21 -0.63 -0.76 -1.72 0.00 0.00 179.24 176.34 1bb0 s LEU 64 N -5.68 3.01 0.00 1.55 1.43 -1.16 -2.70 118.68 115.14 1bb0 s LEU 64 Ca 0.00 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.22 1bb0 s LEU 64 Cb 0.09 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 1bb0 s LEU 64 CO 0.78 -0.16 -0.05 -0.76 0.23 0.00 0.00 176.35 176.39 1bb0 s LEU 65 N -3.70 2.04 -0.20 1.79 1.02 0.94 -4.44 118.68 116.14 1bb0 s LEU 65 Ca 0.34 -0.15 -0.08 0.00 0.02 0.00 0.00 54.13 54.26 1bb0 s LEU 65 Cb -0.02 -0.23 -0.04 0.00 0.02 0.00 0.00 46.19 45.91 1bb0 s LEU 65 CO 0.19 0.02 0.08 -0.69 0.02 0.00 0.00 176.35 175.98 1bb0 s VAL 66 N -0.28 4.90 -0.19 -1.59 1.01 -0.79 -0.00 120.40 123.45 1bb0 s VAL 66 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1bb0 s VAL 66 Cb -0.03 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1bb0 s VAL 66 CO -0.00 0.44 -0.16 -0.13 0.00 0.00 0.00 175.10 175.24 1bb0 s ARG 67 N 0.54 3.09 0.04 2.72 0.52 -0.63 0.19 118.95 125.41 1bb0 s ARG 67 Ca 0.04 -0.78 0.09 0.00 -0.52 0.00 0.00 55.73 54.56 1bb0 s ARG 67 Cb -0.13 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 1bb0 s ARG 67 CO 0.01 -0.19 -0.24 0.42 0.02 0.00 0.00 175.30 175.31 1bb0 s ILE 68 N 1.31 2.30 0.00 1.52 1.01 0.12 -1.11 121.20 126.34 1bb0 s ILE 68 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1bb0 s ILE 68 Cb -0.13 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1bb0 s ILE 68 CO -0.10 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1bb0 n GLY 69 N 1.78 0.69 3.84 6.18 0.00 -1.26 -0.85 105.19 115.58 1bb0 n GLY 69 Ca -0.17 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1bb0 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bb0 s LYS 70 N -0.71 3.65 0.07 1.61 1.02 -1.26 -4.44 119.74 119.69 1bb0 s LYS 70 Ca 0.00 0.93 0.00 0.00 0.02 0.00 0.00 55.97 56.92 1bb0 s LYS 70 Cb 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1bb0 s LYS 70 CO 0.00 -0.52 0.00 1.58 -0.92 0.00 0.00 175.35 175.49 1bb0 n HIS 71 N -2.14 -0.52 -2.68 3.18 -0.00 -1.26 -4.95 115.22 106.84 1bb0 n HIS 71 Ca 0.07 0.09 -0.40 0.00 -0.00 0.00 0.00 57.72 57.48 1bb0 n HIS 71 Cb 0.54 0.30 -0.06 0.00 -0.00 0.00 0.00 29.99 30.77 1bb0 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1bb0 s SER 72 N -5.16 7.55 0.09 0.26 0.15 -1.26 -0.75 113.70 114.59 1bb0 s SER 72 Ca 0.00 2.03 -0.18 0.00 0.70 0.00 0.00 55.95 58.49 1bb0 s SER 72 Cb 0.00 -2.61 -0.07 0.00 -1.71 0.00 0.00 66.02 61.63 1bb0 s SER 72 CO 0.00 0.08 1.57 -0.09 1.20 0.00 0.00 173.24 176.00 1bb0 h ARG 73 N 4.05 0.43 0.00 5.44 2.43 -1.11 -3.40 114.38 122.22 1bb0 h ARG 73 Ca -0.45 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 58.57 1bb0 h ARG 73 Cb 1.20 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1bb0 h ARG 73 CO 0.68 0.55 -1.68 0.25 -1.51 0.00 0.00 179.97 178.25 1bb0 n THR 74 N -4.68 0.13 -2.52 0.20 -2.24 -1.26 -4.98 114.28 98.93 1bb0 n THR 74 Ca -0.03 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 61.05 1bb0 n THR 74 Cb 0.20 0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1bb0 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bb0 s ARG 75 N -2.88 3.78 -0.45 -0.78 1.81 -1.26 -4.99 118.95 114.18 1bb0 s ARG 75 Ca -0.05 1.39 -0.23 0.00 -1.72 0.00 0.00 55.73 55.12 1bb0 s ARG 75 Cb 0.08 -2.11 0.03 0.00 -0.45 0.00 0.00 34.95 32.50 1bb0 s ARG 75 CO 0.58 -0.45 0.80 -0.47 -0.68 0.00 0.00 175.30 175.08 1bb0 s TYR 76 N -1.94 2.99 -1.29 -0.53 5.04 -1.26 -4.91 117.35 115.45 1bb0 s TYR 76 Ca 0.67 0.19 -0.13 0.00 -2.44 0.00 0.00 57.07 55.36 1bb0 s TYR 76 Cb -0.17 -3.68 0.13 0.00 0.35 0.00 0.00 41.96 38.58 1bb0 s TYR 76 CO 0.21 -0.99 1.75 0.39 -1.34 0.00 0.00 175.55 175.57 1bb0 n GLU 77 N 6.75 3.34 -1.61 4.97 1.02 -1.26 -4.98 120.64 128.87 1bb0 n GLU 77 Ca 0.03 -3.46 -0.57 0.00 -0.02 0.00 0.00 57.16 53.14 1bb0 n GLU 77 Cb 0.48 -3.13 -0.07 0.00 -0.02 0.00 0.00 31.44 28.70 1bb0 n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1bb0 n ARG 77 N 5.68 0.75 -0.55 3.49 0.63 -1.26 -1.18 116.66 124.22 1bb0 n ARG 77 Ca 0.42 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1bb0 n ARG 77 Cb 0.41 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.45 1bb0 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1bb0 n ASN 78 N 3.02 0.00 0.02 6.15 5.03 -1.26 -4.77 115.26 123.44 1bb0 n ASN 78 Ca 0.22 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.64 1bb0 n ASN 78 Cb 0.12 -0.36 -0.01 0.00 -1.02 0.00 0.00 39.78 38.52 1bb0 n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1bb0 n ILE 79 N -2.00 1.21 -2.57 2.41 5.41 -0.44 -5.07 119.36 118.31 1bb0 n ILE 79 Ca 0.00 0.31 -0.31 0.00 1.00 0.00 0.00 62.75 63.75 1bb0 n ILE 79 Cb 0.00 -1.74 -0.03 0.00 -0.71 0.00 0.00 39.64 37.16 1bb0 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1bb0 s GLU 80 N -2.19 3.83 -0.05 0.38 -1.05 -0.33 -4.77 118.70 114.53 1bb0 s GLU 80 Ca -0.06 0.69 0.05 0.00 -0.15 0.00 0.00 54.97 55.50 1bb0 s GLU 80 Cb 0.01 -2.25 -0.01 0.00 -0.44 0.00 0.00 34.13 31.44 1bb0 s GLU 80 CO 0.09 -0.19 -0.20 0.15 0.95 0.00 0.00 175.26 176.06 1bb0 s LYS 81 N -4.08 2.10 -0.24 -4.83 -0.14 -0.03 -4.92 119.74 107.60 1bb0 s LYS 81 Ca 0.55 -0.73 -0.04 0.00 -1.36 0.00 0.00 55.97 54.39 1bb0 s LYS 81 Cb -0.10 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.25 1bb0 s LYS 81 CO 0.33 0.30 -0.02 0.42 -0.76 0.00 0.00 175.35 175.62 1bb0 s ILE 82 N -0.04 3.40 0.34 2.17 1.01 -1.26 0.11 121.20 126.93 1bb0 s ILE 82 Ca -0.04 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.05 1bb0 s ILE 82 Cb -0.12 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1bb0 s ILE 82 CO 0.03 0.30 0.07 -0.44 0.00 0.00 0.00 174.94 174.90 1bb0 s SER 83 N 1.45 4.41 0.02 3.58 0.01 0.13 -4.98 113.70 118.32 1bb0 s SER 83 Ca 0.04 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1bb0 s SER 83 Cb -0.15 -0.63 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 1bb0 s SER 83 CO -0.02 -0.26 0.10 -0.04 0.41 0.00 0.00 173.24 173.42 1bb0 s MET 84 N -3.77 3.08 0.20 12.44 -1.94 -1.26 -1.89 119.30 126.15 1bb0 s MET 84 Ca 0.36 -0.51 -0.22 0.00 -1.71 0.00 0.00 55.69 53.61 1bb0 s MET 84 Cb -0.01 -2.86 -0.08 0.00 2.01 0.00 0.00 34.83 33.89 1bb0 s MET 84 CO 0.21 0.63 0.74 -0.51 -0.01 0.00 0.00 175.02 176.08 1bb0 s LEU 85 N -1.94 4.43 -0.13 -0.03 1.43 -1.26 -0.90 118.68 120.28 1bb0 s LEU 85 Ca 0.25 1.49 0.03 0.00 -1.03 0.00 0.00 54.13 54.88 1bb0 s LEU 85 Cb -0.12 -3.47 -0.24 0.00 0.03 0.00 0.00 46.19 42.40 1bb0 s LEU 85 CO 0.17 0.10 0.32 1.21 0.23 0.00 0.00 176.35 178.38 1bb0 n GLU 86 N 1.05 0.70 -3.60 1.70 2.13 0.29 -4.67 120.64 118.23 1bb0 n GLU 86 Ca -0.04 0.22 -0.13 0.00 0.66 0.00 0.00 57.16 57.88 1bb0 n GLU 86 Cb 0.50 -1.68 -0.07 0.00 0.27 0.00 0.00 31.44 30.47 1bb0 n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1bb0 s LYS 87 N -2.56 0.76 -0.09 5.31 2.36 -1.04 -5.00 119.74 119.48 1bb0 s LYS 87 Ca -0.18 0.61 0.01 0.00 -2.55 0.00 0.00 55.97 53.86 1bb0 s LYS 87 Cb 0.07 0.36 -0.02 0.00 -1.05 0.00 0.00 37.83 37.19 1bb0 s LYS 87 CO 0.76 -0.15 -0.12 0.42 1.55 0.00 0.00 175.35 177.82 1bb0 s ILE 88 N -0.21 3.25 -0.16 5.43 1.01 -1.26 -0.65 121.20 128.60 1bb0 s ILE 88 Ca -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1bb0 s ILE 88 Cb -0.03 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.14 1bb0 s ILE 88 CO 0.01 0.56 -0.15 -0.31 0.00 0.00 0.00 174.94 175.06 1bb0 s TYR 89 N -0.32 2.33 -0.07 3.97 1.51 -0.01 -5.02 117.35 119.74 1bb0 s TYR 89 Ca 0.03 -1.37 -0.03 0.00 -1.01 0.00 0.00 57.07 54.69 1bb0 s TYR 89 Cb -0.13 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1bb0 s TYR 89 CO 0.02 -0.71 0.08 0.42 -1.11 0.00 0.00 175.55 174.26 1bb0 s ILE 90 N 1.43 4.91 0.07 2.71 -1.09 -1.26 -0.64 121.20 127.34 1bb0 s ILE 90 Ca 0.04 -0.12 -0.33 0.00 -2.23 0.00 0.00 60.65 58.01 1bb0 s ILE 90 Cb -0.13 -3.15 -0.12 0.00 -1.58 0.00 0.00 42.46 37.47 1bb0 s ILE 90 CO -0.11 0.53 1.78 1.57 -1.23 0.00 0.00 174.94 177.48 1bb0 n HIS 91 N 1.78 2.44 0.13 3.97 -0.00 -0.97 -4.81 115.22 117.76 1bb0 n HIS 91 Ca -0.17 0.01 0.19 0.00 -0.00 0.00 0.00 57.72 57.75 1bb0 n HIS 91 Cb 0.54 -2.66 0.77 0.00 -0.00 0.00 0.00 29.99 28.64 1bb0 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1bb0 h PRO 92 N 8.00 0.00 -0.35 1.57 0.13 -1.94 -1.22 132.00 138.18 1bb0 h PRO 92 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1bb0 h PRO 92 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1bb0 h PRO 92 CO 0.93 0.00 0.02 0.54 -0.23 0.00 0.00 178.00 179.26 1bb0 n ARG 93 N -3.78 2.83 -1.66 0.86 1.74 -1.26 -4.99 116.66 110.40 1bb0 n ARG 93 Ca 0.05 -2.95 -0.47 0.00 -0.77 0.00 0.00 57.85 53.71 1bb0 n ARG 93 Cb 0.50 -1.90 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 1bb0 n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1bb0 n TYR 94 N -0.58 2.11 -3.55 -1.55 9.36 -0.46 -4.69 117.16 117.79 1bb0 n TYR 94 Ca 0.27 0.38 -0.41 0.00 3.32 0.00 0.00 57.90 61.45 1bb0 n TYR 94 Cb 0.99 -2.48 -0.06 0.00 -0.63 0.00 0.00 39.34 37.16 1bb0 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1bb0 s ASN 95 N 0.65 5.91 0.23 2.98 2.47 0.18 -4.85 114.94 122.51 1bb0 s ASN 95 Ca 0.76 -2.83 0.25 0.00 0.42 0.00 0.00 52.86 51.46 1bb0 s ASN 95 Cb -0.71 -2.01 0.59 0.00 -1.45 0.00 0.00 41.25 37.67 1bb0 s ASN 95 CO 0.43 -0.44 1.61 4.11 -3.72 0.00 0.00 177.10 179.09 1bb0 h TRP 96 N 7.29 0.00 0.00 0.43 5.08 -1.92 0.31 115.95 127.14 1bb0 h TRP 96 Ca 0.05 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.00 1bb0 h TRP 96 Cb 0.98 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.14 1bb0 h TRP 96 CO 0.85 0.00 -0.07 0.00 -1.28 0.00 0.00 178.44 177.94 1bb0 h ARG 97 N 0.00 0.00 0.00 0.12 3.08 -2.00 -3.44 114.38 112.14 1bb0 h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bb0 h ARG 97 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1bb0 h ARG 97 CO 0.00 0.07 0.00 -1.91 -1.07 0.00 0.00 179.97 177.06 1bb0 n GLU 97 N -3.13 0.00 -0.00 0.04 2.13 -1.21 -5.01 120.64 113.45 1bb0 n GLU 97 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1bb0 n GLU 97 Cb 0.49 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 32.14 1bb0 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1bb0 n ASN 98 N -2.91 1.33 -2.62 4.31 6.94 -1.19 -5.00 115.26 116.11 1bb0 n ASN 98 Ca 0.00 -1.67 -0.19 0.00 -0.02 0.00 0.00 54.58 52.70 1bb0 n ASN 98 Cb 0.00 -0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.45 1bb0 n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1bb0 n LEU 99 N -0.34 -2.55 -4.73 -4.53 4.77 0.11 -4.96 117.00 104.76 1bb0 n LEU 99 Ca 0.00 -0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.31 1bb0 n LEU 99 Cb 0.34 -2.63 -0.03 0.00 -2.33 0.00 0.00 43.42 38.77 1bb0 n LEU 99 CO 0.00 0.21 1.05 -0.62 -1.33 0.00 0.00 177.39 176.70 1bb0 s ASP 100 N -2.77 6.81 -0.81 -1.43 2.15 -1.22 -3.13 116.67 116.27 1bb0 s ASP 100 Ca 0.27 2.43 -0.03 0.00 0.43 0.00 0.00 52.55 55.65 1bb0 s ASP 100 Cb -0.12 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1bb0 s ASP 100 CO 0.33 -0.62 0.70 0.54 -0.17 0.00 0.00 175.17 175.95 1bb0 n ARG 101 N 3.14 -4.66 -2.26 4.34 1.74 -1.26 0.50 116.66 118.21 1bb0 n ARG 101 Ca 0.09 0.53 -0.40 0.00 -0.77 0.00 0.00 57.85 57.30 1bb0 n ARG 101 Cb 0.42 -4.64 -0.02 0.00 -1.02 0.00 0.00 32.46 27.21 1bb0 n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1bb0 n ASP 102 N -1.81 4.22 -3.68 0.55 2.03 -1.18 -4.26 116.55 112.41 1bb0 n ASP 102 Ca -0.08 -2.84 -0.14 0.00 0.52 0.00 0.00 54.79 52.24 1bb0 n ASP 102 Cb 0.57 -1.70 -0.09 0.00 -0.72 0.00 0.00 41.12 39.19 1bb0 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1bb0 s ILE 103 N 5.67 0.01 0.05 5.18 2.07 -1.26 -4.02 121.20 128.89 1bb0 s ILE 103 Ca 0.56 -0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 59.62 1bb0 s ILE 103 Cb 0.05 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.91 1bb0 s ILE 103 CO 0.07 -0.04 0.23 0.00 -1.91 0.00 0.00 174.94 173.28 1bb0 s ALA 104 N -0.20 -0.43 -0.05 1.50 0.00 -0.36 -2.29 121.76 119.92 1bb0 s ALA 104 Ca -0.04 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1bb0 s ALA 104 Cb -0.03 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1bb0 s ALA 104 CO 0.03 -0.41 -0.20 -0.51 0.00 0.00 0.00 175.76 174.67 1bb0 s LEU 105 N -2.23 2.40 -0.16 0.00 1.43 0.19 -1.26 118.68 119.05 1bb0 s LEU 105 Ca -0.03 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1bb0 s LEU 105 Cb 0.00 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1bb0 s LEU 105 CO -0.05 0.30 -0.18 -0.04 0.23 0.00 0.00 176.35 176.62 1bb0 s MET 106 N -0.49 2.68 -0.24 1.70 -1.94 -0.40 -0.83 119.30 119.77 1bb0 s MET 106 Ca 0.06 -0.71 -0.14 0.00 -1.71 0.00 0.00 55.69 53.19 1bb0 s MET 106 Cb -0.11 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 1bb0 s MET 106 CO 0.01 -0.20 0.33 -1.59 -0.01 0.00 0.00 175.02 173.57 1bb0 s LYS 107 N 1.31 4.08 0.50 2.03 -2.85 0.17 -0.71 119.74 124.28 1bb0 s LYS 107 Ca 0.03 0.02 -0.21 0.00 -1.00 0.00 0.00 55.97 54.81 1bb0 s LYS 107 Cb -0.13 -3.59 -0.07 0.00 -2.06 0.00 0.00 37.83 31.98 1bb0 s LYS 107 CO -0.11 -0.11 1.16 -0.51 0.10 0.00 0.00 175.35 175.88 1bb0 s LEU 108 N 1.57 3.90 0.56 2.77 1.43 -0.29 0.10 118.68 128.72 1bb0 s LEU 108 Ca 0.15 2.27 0.23 0.00 -1.03 0.00 0.00 54.13 55.75 1bb0 s LEU 108 Cb -0.15 -4.38 1.54 0.00 0.03 0.00 0.00 46.19 43.23 1bb0 s LEU 108 CO 0.08 -1.07 2.18 0.50 0.23 0.00 0.00 176.35 178.27 1bb0 h LYS 109 N 1.68 0.00 -2.21 1.70 1.63 -1.29 -3.40 116.57 114.68 1bb0 h LYS 109 Ca -0.50 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.24 1bb0 h LYS 109 Cb 1.26 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.67 1bb0 h LYS 109 CO 0.59 0.00 0.04 0.15 -3.45 0.00 0.00 179.45 176.78 1bb0 s LYS 110 N -4.85 0.79 0.29 1.90 3.01 -1.26 -4.96 119.74 114.66 1bb0 s LYS 110 Ca -0.05 0.71 -0.30 0.00 -1.01 0.00 0.00 55.97 55.33 1bb0 s LYS 110 Cb 0.16 0.38 -0.13 0.00 -1.01 0.00 0.00 37.83 37.24 1bb0 s LYS 110 CO 0.61 -0.14 1.39 -2.30 0.51 0.00 0.00 175.35 175.42 1bb0 n PRO 111 N 2.33 2.16 -2.64 -1.68 -0.01 -1.26 -4.85 135.00 129.05 1bb0 n PRO 111 Ca -0.15 0.77 -0.26 0.00 -0.01 0.00 0.00 63.50 63.85 1bb0 n PRO 111 Cb 0.56 -2.41 0.02 0.00 -0.01 0.00 0.00 33.50 31.65 1bb0 n PRO 111 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1bb0 s VAL 112 N -0.45 4.14 -0.14 -1.45 0.11 0.76 -4.98 120.40 118.39 1bb0 s VAL 112 Ca 0.63 -0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.56 1bb0 s VAL 112 Cb -0.60 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 30.64 1bb0 s VAL 112 CO 0.54 -0.54 -0.04 0.00 -3.33 0.00 0.00 175.10 171.73 1bb0 s ALA 113 N -2.79 3.03 0.80 1.54 0.00 -1.26 -4.81 121.76 118.27 1bb0 s ALA 113 Ca 0.50 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 1bb0 s ALA 113 Cb -0.10 -1.53 0.08 0.00 0.00 0.00 0.00 23.12 21.57 1bb0 s ALA 113 CO 0.43 0.28 1.13 -0.06 0.00 0.00 0.00 175.76 177.54 1bb0 s PHE 114 N 0.16 2.18 0.17 0.00 0.08 -1.26 -4.90 117.98 114.40 1bb0 s PHE 114 Ca -0.01 1.64 -0.15 0.00 0.12 0.00 0.00 56.93 58.53 1bb0 s PHE 114 Cb -0.14 -3.23 0.05 0.00 -0.57 0.00 0.00 43.02 39.14 1bb0 s PHE 114 CO 0.03 -2.25 0.73 -1.13 -0.10 0.00 0.00 175.22 172.50 1bb0 n SER 115 N -3.48 -1.37 0.31 1.36 3.41 -0.33 -4.95 113.62 108.57 1bb0 n SER 115 Ca 0.11 -1.77 0.19 0.00 -0.26 0.00 0.00 58.87 57.13 1bb0 n SER 115 Cb 0.52 2.23 1.04 0.00 -0.26 0.00 0.00 64.21 67.75 1bb0 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bb0 h ASP 116 N 1.46 0.00 -0.00 4.04 3.32 -1.99 -3.17 116.42 120.07 1bb0 h ASP 116 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1bb0 h ASP 116 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1bb0 h ASP 116 CO 0.28 0.01 -0.42 -1.22 -1.72 0.00 0.00 179.24 176.17 1bb0 n TYR 117 N -3.47 0.00 -3.93 4.55 4.01 -1.26 -4.79 117.16 112.28 1bb0 n TYR 117 Ca -0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.41 1bb0 n TYR 117 Cb 0.09 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.96 1bb0 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bb0 s ILE 118 N -1.83 1.46 -0.18 -0.72 1.01 -1.20 -4.04 121.20 115.70 1bb0 s ILE 118 Ca 0.04 -1.16 -0.20 0.00 0.00 0.00 0.00 60.65 59.33 1bb0 s ILE 118 Cb 0.07 -1.73 0.05 0.00 0.01 0.00 0.00 42.46 40.86 1bb0 s ILE 118 CO 0.37 -0.10 0.55 -2.28 0.00 0.00 0.00 174.94 173.48 1bb0 s HIS 119 N 1.43 -0.59 0.47 3.97 2.46 -0.53 -1.19 115.29 121.31 1bb0 s HIS 119 Ca -0.05 1.38 -0.19 0.00 0.47 0.00 0.00 55.06 56.67 1bb0 s HIS 119 Cb -0.19 0.22 -0.09 0.00 -0.13 0.00 0.00 32.58 32.39 1bb0 s HIS 119 CO -0.06 -0.32 0.98 -1.25 -2.47 0.00 0.00 174.74 171.61 1bb0 s PRO 120 N 0.09 4.03 0.45 2.88 0.04 -1.26 -2.47 135.00 138.75 1bb0 s PRO 120 Ca -0.02 1.11 -0.03 0.00 0.04 0.00 0.00 61.00 62.10 1bb0 s PRO 120 Cb -0.04 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1bb0 s PRO 120 CO 0.02 -0.20 0.71 0.54 0.04 0.00 0.00 177.00 178.11 1bb0 s VAL 121 N -2.30 4.75 0.45 -0.36 0.11 -0.61 -4.89 120.40 117.54 1bb0 s VAL 121 Ca 0.62 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.49 1bb0 s VAL 121 Cb -0.11 -3.78 -0.05 0.00 -1.53 0.00 0.00 36.38 30.91 1bb0 s VAL 121 CO 0.21 -0.67 0.79 0.00 -3.33 0.00 0.00 175.10 172.10 1bb0 s LEU 123 N -4.33 4.20 0.64 0.00 1.43 -1.26 -1.50 118.68 117.86 1bb0 s LEU 123 Ca 0.50 0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 53.78 1bb0 s LEU 123 Cb -0.10 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 1bb0 s LEU 123 CO 0.39 0.34 1.13 -2.16 0.23 0.00 0.00 176.35 176.27 1bb0 s PRO 124 N -0.60 2.87 0.22 1.29 0.04 -1.26 -4.94 135.00 132.62 1bb0 s PRO 124 Ca 0.12 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.70 1bb0 s PRO 124 Cb -0.12 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1bb0 s PRO 124 CO 0.02 -1.21 0.29 0.16 0.04 0.00 0.00 177.00 176.30 1bb0 s ASP 125 N -2.32 6.07 0.34 6.66 -4.77 -1.26 -4.91 116.67 116.48 1bb0 s ASP 125 Ca 0.69 -0.01 0.12 0.00 -3.30 0.00 0.00 52.55 50.05 1bb0 s ASP 125 Cb -0.22 -1.73 0.94 0.00 -1.09 0.00 0.00 42.92 40.82 1bb0 s ASP 125 CO 0.38 -0.03 1.74 -0.09 0.70 0.00 0.00 175.17 177.87 1bb0 h ARG 126 N 1.49 0.53 0.02 2.11 1.12 -1.97 0.90 114.38 118.58 1bb0 h ARG 126 Ca -0.50 -0.03 -0.20 0.00 -1.11 0.00 0.00 59.98 58.13 1bb0 h ARG 126 Cb 1.22 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 31.05 1bb0 h ARG 126 CO 0.62 0.35 -0.92 0.93 -3.11 0.00 0.00 179.97 177.84 1bb0 h GLU 127 N 0.54 0.14 -0.59 0.20 3.07 -2.04 0.12 114.58 116.03 1bb0 h GLU 127 Ca 0.63 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1bb0 h GLU 127 Cb 1.28 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1bb0 h GLU 127 CO -0.42 0.96 0.00 2.41 -1.40 0.00 0.00 179.01 180.56 1bb0 n THR 128 N -3.59 0.06 0.00 1.13 -1.04 0.31 -2.02 114.28 109.13 1bb0 n THR 128 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1bb0 n THR 128 Cb 0.84 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1bb0 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bb0 n ALA 129 N 0.42 0.00 0.18 2.41 0.00 0.42 -1.25 120.51 122.68 1bb0 n ALA 129 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1bb0 n ALA 129 Cb 0.10 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.65 1bb0 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bb0 h SER 129 N 0.00 0.00 0.11 0.00 4.64 -1.68 -3.37 113.55 113.25 1bb0 h SER 129 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1bb0 h SER 129 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1bb0 h SER 129 CO 0.00 0.23 -2.23 0.18 -0.87 0.00 0.00 176.83 174.14 1bb0 n LEU 129 N -3.14 1.59 -4.25 5.97 4.77 -0.38 -4.70 117.00 116.86 1bb0 n LEU 129 Ca 0.03 0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.67 1bb0 n LEU 129 Cb 0.62 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1bb0 n LEU 129 CO 0.37 0.69 2.11 0.18 -1.33 0.00 0.00 177.39 179.41 1bb0 n LEU 130 N -3.10 5.08 -4.09 2.23 4.77 -1.26 -4.83 117.00 115.80 1bb0 n LEU 130 Ca -0.34 -3.76 -0.22 0.00 -0.03 0.00 0.00 56.01 51.66 1bb0 n LEU 130 Cb 1.07 -1.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.35 1bb0 n LEU 130 CO 0.38 0.04 -0.47 -1.10 -1.33 0.00 0.00 177.39 174.91 1bb0 s GLN 131 N 4.39 1.09 0.25 3.23 -0.21 -1.26 -4.95 119.66 122.19 1bb0 s GLN 131 Ca 0.55 -0.47 -0.31 0.00 0.02 0.00 0.00 55.36 55.15 1bb0 s GLN 131 Cb 0.07 -1.05 -0.13 0.00 1.00 0.00 0.00 33.01 32.91 1bb0 s GLN 131 CO 0.05 0.28 1.46 0.00 -2.12 0.00 0.00 175.29 174.95 1bb0 n ALA 132 N 2.79 1.50 0.00 6.09 0.00 -1.26 -1.55 120.51 128.08 1bb0 n ALA 132 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1bb0 n ALA 132 Cb 0.55 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1bb0 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bb0 n GLY 133 N 2.18 3.10 3.76 0.00 0.00 0.44 -4.92 105.19 109.75 1bb0 n GLY 133 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1bb0 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bb0 s TYR 134 N -2.05 3.39 -0.00 1.61 1.51 -0.59 -4.58 117.35 116.63 1bb0 s TYR 134 Ca 0.00 1.63 -0.06 0.00 -1.01 0.00 0.00 57.07 57.63 1bb0 s TYR 134 Cb 0.00 -3.33 -0.05 0.00 -0.11 0.00 0.00 41.96 38.47 1bb0 s TYR 134 CO 0.00 -0.85 0.25 0.15 -1.11 0.00 0.00 175.55 173.99 1bb0 s LYS 135 N -1.76 3.55 0.49 -0.62 1.02 -1.26 -1.15 119.74 120.01 1bb0 s LYS 135 Ca 0.49 -0.11 0.02 0.00 0.02 0.00 0.00 55.97 56.39 1bb0 s LYS 135 Cb -0.32 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1bb0 s LYS 135 CO 0.41 0.66 0.02 0.20 -0.92 0.00 0.00 175.35 175.71 1bb0 s GLY 136 N -1.69 2.93 -0.03 -3.33 0.00 -0.54 -4.84 107.32 99.82 1bb0 s GLY 136 Ca 0.27 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.37 1bb0 s GLY 136 CO 0.16 -2.15 -0.12 -1.60 0.00 0.00 0.00 173.10 169.38 1bb0 s ARG 137 N -3.84 1.29 0.09 2.90 3.52 -0.46 -0.42 118.95 122.03 1bb0 s ARG 137 Ca 0.10 -0.43 0.10 0.00 -0.13 0.00 0.00 55.73 55.37 1bb0 s ARG 137 Cb 0.02 -1.17 -0.04 0.00 -1.56 0.00 0.00 34.95 32.21 1bb0 s ARG 137 CO 0.06 0.17 -0.25 0.08 -0.81 0.00 0.00 175.30 174.55 1bb0 s VAL 138 N 0.11 2.32 0.04 7.11 1.01 0.72 -1.18 120.40 130.53 1bb0 s VAL 138 Ca -0.03 -1.57 0.02 0.00 0.00 0.00 0.00 61.98 60.40 1bb0 s VAL 138 Cb -0.10 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1bb0 s VAL 138 CO 0.01 0.20 -0.07 0.42 0.00 0.00 0.00 175.10 175.65 1bb0 s THR 139 N -0.98 0.52 0.00 3.92 -4.23 -1.24 -1.33 115.64 112.30 1bb0 s THR 139 Ca 0.14 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1bb0 s THR 139 Cb -0.10 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.16 1bb0 s THR 139 CO 0.05 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1bb0 n GLY 140 N 1.60 -0.26 0.61 3.99 0.00 -0.81 -4.56 105.19 105.75 1bb0 n GLY 140 Ca -0.22 -1.02 0.06 0.00 0.00 0.00 0.00 46.02 44.84 1bb0 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bb0 n TRP 141 N -0.28 0.52 -1.24 1.61 8.01 -1.26 -1.64 117.44 123.16 1bb0 n TRP 141 Ca 0.00 -0.63 -0.21 0.00 -1.31 0.00 0.00 57.50 55.34 1bb0 n TRP 141 Cb 0.00 -0.12 0.17 0.00 -2.01 0.00 0.00 31.31 29.35 1bb0 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bb0 n GLY 142 N -0.00 -2.12 3.54 6.99 0.00 -1.26 -4.62 105.19 107.72 1bb0 n GLY 142 Ca 0.13 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 1bb0 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bb0 n ASN 143 N -4.03 0.01 0.07 1.61 3.02 0.51 -3.38 115.26 113.06 1bb0 n ASN 143 Ca 0.11 0.85 0.09 0.00 -0.03 0.00 0.00 54.58 55.60 1bb0 n ASN 143 Cb 0.42 -1.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.28 1bb0 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1bb0 n LEU 144 N 0.29 0.69 -3.88 3.41 4.77 -0.68 -0.23 117.00 121.37 1bb0 n LEU 144 Ca 0.12 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.26 1bb0 n LEU 144 Cb 0.44 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 1bb0 n LEU 144 CO 0.52 -0.08 -0.24 -0.54 -1.33 0.00 0.00 177.39 175.72 1bb0 s LYS 145 N -3.29 0.29 0.00 3.23 -0.14 -1.26 -4.43 119.74 114.13 1bb0 s LYS 145 Ca -0.02 -0.20 0.00 0.00 -1.36 0.00 0.00 55.97 54.39 1bb0 s LYS 145 Cb 0.10 0.12 0.00 0.00 -1.68 0.00 0.00 37.83 36.37 1bb0 s LYS 145 CO 0.82 -0.06 0.00 -1.91 -0.76 0.00 0.00 175.35 173.44 1bb0 n GLU 146 N 2.19 0.00 -0.01 1.68 2.13 -1.26 -4.93 120.64 120.44 1bb0 n GLU 146 Ca -0.18 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.62 1bb0 n GLU 146 Cb 0.57 -0.87 -0.00 0.00 0.27 0.00 0.00 31.44 31.41 1bb0 n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bb0 n GLY 150 N 0.40 -0.24 2.97 8.31 0.00 -1.26 -4.96 105.19 110.41 1bb0 n GLY 150 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 1bb0 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bb0 s GLN 151 N -1.44 0.58 0.83 1.61 -0.21 -1.26 -1.69 119.66 118.08 1bb0 s GLN 151 Ca -0.05 -0.22 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 1bb0 s GLN 151 Cb 0.01 -0.57 0.09 0.00 1.00 0.00 0.00 33.01 33.54 1bb0 s GLN 151 CO 0.07 0.11 1.10 -1.25 -2.12 0.00 0.00 175.29 173.20 1bb0 s PRO 152 N 0.00 1.77 -0.07 2.91 0.04 -1.26 -4.97 135.00 133.42 1bb0 s PRO 152 Ca 0.00 0.66 0.15 0.00 0.04 0.00 0.00 61.00 61.85 1bb0 s PRO 152 Cb -0.04 -1.88 -0.23 0.00 0.04 0.00 0.00 34.50 32.39 1bb0 s PRO 152 CO -0.00 -1.84 0.52 -1.13 0.04 0.00 0.00 177.00 174.59 1bb0 n SER 153 N -3.58 0.62 -4.42 6.66 3.41 -1.26 -4.71 113.62 110.34 1bb0 n SER 153 Ca 0.07 0.29 -0.21 0.00 -0.26 0.00 0.00 58.87 58.76 1bb0 n SER 153 Cb 0.56 0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.70 1bb0 n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1bb0 s VAL 154 N -2.63 1.47 0.20 -3.33 0.11 -1.26 -0.56 120.40 114.40 1bb0 s VAL 154 Ca -0.06 -2.08 -0.32 0.00 -2.93 0.00 0.00 61.98 56.59 1bb0 s VAL 154 Cb 0.08 -2.51 -0.14 0.00 -1.53 0.00 0.00 36.38 32.27 1bb0 s VAL 154 CO 0.83 -0.24 1.32 -0.11 -3.33 0.00 0.00 175.10 173.56 1bb0 n LEU 155 N -0.59 2.39 -4.76 2.54 7.94 0.07 -4.82 117.00 119.78 1bb0 n LEU 155 Ca -0.05 1.14 -0.25 0.00 -1.11 0.00 0.00 56.01 55.74 1bb0 n LEU 155 Cb 0.64 -1.33 -0.06 0.00 0.53 0.00 0.00 43.42 43.20 1bb0 n LEU 155 CO 0.40 -0.83 -0.24 -1.10 -1.11 0.00 0.00 177.39 174.51 1bb0 s GLN 156 N -0.26 2.74 0.03 1.96 -1.52 -0.65 0.64 119.66 122.61 1bb0 s GLN 156 Ca 0.72 -1.02 0.02 0.00 -1.95 0.00 0.00 55.36 53.12 1bb0 s GLN 156 Cb -0.75 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 29.51 1bb0 s GLN 156 CO 0.50 0.44 -0.07 0.54 -0.25 0.00 0.00 175.29 176.45 1bb0 s VAL 157 N -1.91 0.53 -0.14 1.09 0.11 -0.19 -1.93 120.40 117.96 1bb0 s VAL 157 Ca 0.31 -0.85 -0.13 0.00 -2.93 0.00 0.00 61.98 58.38 1bb0 s VAL 157 Cb -0.09 -0.55 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1bb0 s VAL 157 CO 0.22 -0.24 0.38 0.54 -3.33 0.00 0.00 175.10 172.68 1bb0 s VAL 158 N -1.03 -0.00 -0.20 2.04 0.11 -0.44 -1.97 120.40 118.91 1bb0 s VAL 158 Ca -0.06 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 58.85 1bb0 s VAL 158 Cb -0.08 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1bb0 s VAL 158 CO 0.00 0.00 0.33 0.20 -3.33 0.00 0.00 175.10 172.30 1bb0 s ASN 159 N 0.28 6.38 0.01 3.54 0.01 -1.26 -0.20 114.94 123.70 1bb0 s ASN 159 Ca -0.01 0.44 0.01 0.00 -0.71 0.00 0.00 52.86 52.59 1bb0 s ASN 159 Cb -0.03 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 1bb0 s ASN 159 CO -0.00 -0.00 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.79 1bb0 s LEU 160 N 1.03 2.08 0.12 0.60 1.43 0.44 -4.95 118.68 119.42 1bb0 s LEU 160 Ca 0.16 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 52.83 1bb0 s LEU 160 Cb -0.14 -0.11 -0.07 0.00 0.03 0.00 0.00 46.19 45.90 1bb0 s LEU 160 CO 0.06 -0.05 0.77 -2.16 0.23 0.00 0.00 176.35 175.20 1bb0 s PRO 161 N -0.48 4.53 0.24 1.29 0.04 -1.26 -1.47 135.00 137.88 1bb0 s PRO 161 Ca -0.03 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 1bb0 s PRO 161 Cb -0.04 -3.30 -0.09 0.00 0.04 0.00 0.00 34.50 31.11 1bb0 s PRO 161 CO -0.00 0.46 1.26 0.42 0.04 0.00 0.00 177.00 179.18 1bb0 s ILE 162 N -0.72 3.20 0.04 0.56 1.01 -0.30 -1.23 121.20 123.76 1bb0 s ILE 162 Ca 0.37 1.07 0.04 0.00 0.00 0.00 0.00 60.65 62.12 1bb0 s ILE 162 Cb -0.22 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1bb0 s ILE 162 CO 0.25 0.20 -0.03 0.54 0.00 0.00 0.00 174.94 175.90 1bb0 s VAL 163 N -0.41 3.89 0.24 2.92 0.11 -1.10 0.17 120.40 126.23 1bb0 s VAL 163 Ca 0.52 -0.86 -0.31 0.00 -2.93 0.00 0.00 61.98 58.41 1bb0 s VAL 163 Cb -0.36 -2.78 -0.14 0.00 -1.53 0.00 0.00 36.38 31.58 1bb0 s VAL 163 CO 0.42 0.26 1.33 -0.62 -3.33 0.00 0.00 175.10 173.15 1bb0 n GLU 164 N 1.07 1.85 -0.22 1.54 4.71 -1.26 -4.67 120.64 123.66 1bb0 n GLU 164 Ca -0.13 0.66 0.03 0.00 -0.01 0.00 0.00 57.16 57.70 1bb0 n GLU 164 Cb 0.52 -2.26 0.14 0.00 -1.01 0.00 0.00 31.44 28.83 1bb0 n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bb0 h ARG 165 N 3.75 0.21 -0.61 3.49 3.08 -1.99 -2.27 114.38 120.04 1bb0 h ARG 165 Ca -0.44 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.68 1bb0 h ARG 165 Cb 1.29 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.23 1bb0 h ARG 165 CO 0.72 0.14 0.26 -1.35 -1.07 0.00 0.00 179.97 178.67 1bb0 h PRO 166 N 0.22 0.46 -0.40 0.04 0.11 -1.99 0.10 132.00 130.54 1bb0 h PRO 166 Ca 0.36 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.43 1bb0 h PRO 166 Cb 0.58 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1bb0 h PRO 166 CO -0.49 0.30 0.22 0.28 -0.21 0.00 0.00 178.00 178.10 1bb0 h VAL 167 N 0.47 1.15 0.09 3.15 2.07 -1.82 -0.29 116.25 121.08 1bb0 h VAL 167 Ca 0.30 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1bb0 h VAL 167 Cb 0.32 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1bb0 h VAL 167 CO -0.27 0.16 -0.25 0.00 0.02 0.00 0.00 177.57 177.24 1bb0 h LYS 169 N -0.44 0.41 0.00 0.00 6.56 -0.85 -2.82 116.57 119.44 1bb0 h LYS 169 Ca 0.04 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1bb0 h LYS 169 Cb 0.47 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1bb0 h LYS 169 CO -0.16 0.27 0.00 -0.25 -2.06 0.00 0.00 179.45 177.25 1bb0 n ASP 170 N -4.93 0.00 0.00 0.86 8.00 -0.13 -2.99 116.55 117.35 1bb0 n ASP 170 Ca 0.03 -0.63 0.11 0.00 0.71 0.00 0.00 54.79 55.01 1bb0 n ASP 170 Cb 0.14 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1bb0 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bb0 n SER 171 N -1.04 0.79 -4.16 -2.24 3.41 -1.06 -5.00 113.62 104.31 1bb0 n SER 171 Ca 0.17 -0.68 -0.11 0.00 -0.26 0.00 0.00 58.87 57.99 1bb0 n SER 171 Cb 0.10 0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 64.74 1bb0 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bb0 s THR 172 N -3.03 0.03 -0.34 6.66 -1.32 -1.16 -4.91 115.64 111.57 1bb0 s THR 172 Ca 0.08 -1.89 0.23 0.00 -1.21 0.00 0.00 61.69 58.89 1bb0 s THR 172 Cb 0.16 -2.34 -0.12 0.00 -1.51 0.00 0.00 72.50 68.70 1bb0 s THR 172 CO 0.81 -0.12 0.91 0.54 -2.21 0.00 0.00 174.62 174.56 1bb0 n ARG 173 N -0.24 0.49 -2.30 7.08 1.74 -1.26 -4.91 116.66 117.26 1bb0 n ARG 173 Ca -0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1bb0 n ARG 173 Cb 0.65 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 1bb0 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bb0 s ILE 174 N -3.33 3.16 -0.16 0.55 -1.09 -1.26 -4.98 121.20 114.09 1bb0 s ILE 174 Ca -0.01 1.13 -0.29 0.00 -2.23 0.00 0.00 60.65 59.25 1bb0 s ILE 174 Cb 0.12 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1bb0 s ILE 174 CO 0.82 0.25 1.04 -0.60 -1.23 0.00 0.00 174.94 175.22 1bb0 s ARG 175 N -1.34 4.35 0.08 2.79 3.52 -1.26 -5.02 118.95 122.07 1bb0 s ARG 175 Ca 0.48 1.40 -0.27 0.00 -0.13 0.00 0.00 55.73 57.21 1bb0 s ARG 175 Cb -0.35 -3.59 -0.06 0.00 -1.56 0.00 0.00 34.95 29.39 1bb0 s ARG 175 CO 0.45 -0.47 0.86 0.42 -0.81 0.00 0.00 175.30 175.76 1bb0 s ILE 176 N 2.56 4.59 0.36 4.11 -1.09 -1.26 -4.88 121.20 125.60 1bb0 s ILE 176 Ca 0.47 1.85 0.08 0.00 -2.23 0.00 0.00 60.65 60.83 1bb0 s ILE 176 Cb -0.17 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.43 1bb0 s ILE 176 CO 0.13 0.35 0.09 0.42 -1.23 0.00 0.00 174.94 174.70 1bb0 s THR 177 N -0.09 2.59 0.55 2.92 -4.23 -1.26 -5.02 115.64 111.10 1bb0 s THR 177 Ca 0.42 -1.83 0.37 0.00 -1.18 0.00 0.00 61.69 59.47 1bb0 s THR 177 Cb -0.22 -2.91 0.39 0.00 1.34 0.00 0.00 72.50 71.11 1bb0 s THR 177 CO 0.27 -0.13 2.26 0.44 -0.54 0.00 0.00 174.62 176.92 1bb0 h ASP 178 N 1.64 0.00 -0.07 3.99 3.32 -2.03 -2.84 116.42 120.42 1bb0 h ASP 178 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1bb0 h ASP 178 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1bb0 h ASP 178 CO 0.68 0.02 0.00 0.59 -1.72 0.00 0.00 179.24 178.81 1bb0 n ASN 179 N -3.38 1.31 -4.06 6.45 3.02 -1.26 -4.84 115.26 112.50 1bb0 n ASN 179 Ca -0.02 -2.08 -0.09 0.00 -0.03 0.00 0.00 54.58 52.35 1bb0 n ASN 179 Cb 0.12 -0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 38.76 1bb0 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bb0 s MET 180 N -1.34 0.53 0.08 3.52 -1.94 -1.07 -1.36 119.30 117.71 1bb0 s MET 180 Ca 0.06 -0.97 -0.01 0.00 -1.71 0.00 0.00 55.69 53.05 1bb0 s MET 180 Cb 0.04 0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.91 1bb0 s MET 180 CO 0.02 -0.06 0.01 -0.59 -0.01 0.00 0.00 175.02 174.39 1bb0 s PHE 181 N -2.74 0.60 0.20 -0.03 -0.71 -0.74 -4.80 117.98 109.76 1bb0 s PHE 181 Ca -0.02 -1.09 0.09 0.00 -1.04 0.00 0.00 56.93 54.86 1bb0 s PHE 181 Cb -0.01 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 1bb0 s PHE 181 CO -0.05 -0.43 -0.18 0.00 -1.34 0.00 0.00 175.22 173.22 1bb0 s ALA 183 N -2.40 -0.59 0.00 0.00 0.00 -0.12 -2.69 121.76 115.96 1bb0 s ALA 183 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1bb0 s ALA 183 Cb -0.04 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1bb0 s ALA 183 CO 0.08 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1bb0 n GLY 184 N 1.26 3.07 3.84 0.00 0.00 -0.36 -2.25 105.19 110.74 1bb0 n GLY 184 Ca -0.22 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 1bb0 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bb0 s TYR 184 N -2.00 3.37 0.34 1.61 2.02 -1.26 -4.40 117.35 117.02 1bb0 s TYR 184 Ca 0.00 1.43 -0.12 0.00 -0.37 0.00 0.00 57.07 58.02 1bb0 s TYR 184 Cb 0.00 -2.72 -0.07 0.00 -0.40 0.00 0.00 41.96 38.76 1bb0 s TYR 184 CO 0.00 -0.12 0.71 0.15 -1.57 0.00 0.00 175.55 174.72 1bb0 s LYS 185 N -3.38 3.86 0.47 -0.62 1.02 -1.26 -4.87 119.74 114.96 1bb0 s LYS 185 Ca 0.58 0.48 0.29 0.00 0.02 0.00 0.00 55.97 57.35 1bb0 s LYS 185 Cb -0.10 -2.46 1.37 0.00 -0.52 0.00 0.00 37.83 36.12 1bb0 s LYS 185 CO 0.20 0.11 1.76 -1.35 -0.92 0.00 0.00 175.35 175.14 1bb0 h PRO 186 N 1.87 0.16 0.00 -1.68 0.11 -1.96 1.18 132.00 131.69 1bb0 h PRO 186 Ca -0.47 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1bb0 h PRO 186 Cb 1.18 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1bb0 h PRO 186 CO 0.65 0.11 -0.43 -0.44 -0.21 0.00 0.00 178.00 177.69 1bb0 h ASP 186 N 0.17 0.00 0.54 -2.05 5.19 -1.96 -3.32 116.42 114.99 1bb0 h ASP 186 Ca 0.62 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.03 1bb0 h ASP 186 Cb 2.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.58 1bb0 h ASP 186 CO -0.18 0.43 0.00 -0.33 -3.12 0.00 0.00 179.24 176.04 1bb0 h GLU 186 N 0.00 0.00 -5.13 3.56 5.08 0.11 -3.46 114.58 114.74 1bb0 h GLU 186 Ca -0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.96 1bb0 h GLU 186 Cb 0.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1bb0 h GLU 186 CO 0.06 0.00 -0.58 0.41 -1.00 0.00 0.00 179.01 177.89 1bb0 n GLY 186 N -0.46 -0.50 3.03 -3.84 0.00 -1.25 -4.96 105.19 97.21 1bb0 n GLY 186 Ca -0.00 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1bb0 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bb0 s LYS 186 N -5.92 0.18 0.34 1.61 1.02 -1.26 -5.17 119.74 110.54 1bb0 s LYS 186 Ca 0.38 0.37 0.03 0.00 0.02 0.00 0.00 55.97 56.76 1bb0 s LYS 186 Cb -0.19 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.11 1bb0 s LYS 186 CO 0.46 -0.10 0.22 0.54 -0.92 0.00 0.00 175.35 175.55 1bb0 n ARG 187 N 3.66 1.02 0.00 1.68 1.74 -1.26 -4.62 116.66 118.89 1bb0 n ARG 187 Ca -0.20 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 1bb0 n ARG 187 Cb 0.55 0.30 0.00 0.00 -1.02 0.00 0.00 32.46 32.29 1bb0 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bb0 n GLY 188 N 0.88 4.40 3.61 -0.13 0.00 -1.26 -4.93 105.19 107.75 1bb0 n GLY 188 Ca -0.03 -1.35 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 1bb0 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bb0 s ASP 189 N 0.00 -0.10 0.88 1.61 2.15 -0.94 -4.71 116.67 115.55 1bb0 s ASP 189 Ca 0.00 -0.03 -0.14 0.00 0.43 0.00 0.00 52.55 52.81 1bb0 s ASP 189 Cb 0.00 0.13 0.13 0.00 -0.30 0.00 0.00 42.92 42.88 1bb0 s ASP 189 CO 0.00 -0.22 1.24 0.00 -0.17 0.00 0.00 175.17 176.02 1bb0 s ALA 190 N -2.37 2.47 0.13 3.66 0.00 -1.26 -0.46 121.76 123.93 1bb0 s ALA 190 Ca 0.11 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1bb0 s ALA 190 Cb 0.01 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.26 1bb0 s ALA 190 CO -0.04 -2.01 0.21 0.00 0.00 0.00 0.00 175.76 173.92 1bb0 n GLU 192 N -0.19 1.35 -0.02 0.00 -0.58 -1.26 -2.01 120.64 117.93 1bb0 n GLU 192 Ca -0.01 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1bb0 n GLU 192 Cb 0.20 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 1bb0 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bb0 n GLY 193 N 1.14 2.23 0.11 0.62 0.00 -1.26 -0.36 105.19 107.66 1bb0 n GLY 193 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1bb0 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bb0 h ASP 194 N 0.00 0.00 -2.49 1.61 3.32 -1.74 -3.36 116.42 113.76 1bb0 h ASP 194 Ca 0.00 -0.06 -0.60 0.00 0.02 0.00 0.00 57.03 56.39 1bb0 h ASP 194 Cb 0.00 0.00 0.15 0.00 0.22 0.00 0.00 39.33 39.70 1bb0 h ASP 194 CO 0.00 0.03 -0.34 -1.20 -1.72 0.00 0.00 179.24 176.01 1bb0 n SER 195 N -2.56 -0.67 0.00 6.45 7.64 -1.26 -2.14 113.62 121.07 1bb0 n SER 195 Ca 0.01 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1bb0 n SER 195 Cb 0.52 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1bb0 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bb0 n GLY 196 N 1.72 2.82 3.73 0.23 0.00 -0.48 0.04 105.19 113.25 1bb0 n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1bb0 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bb0 s GLY 197 N -1.78 1.59 0.13 -0.02 0.00 -0.91 -3.35 107.32 102.98 1bb0 s GLY 197 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 44.72 44.17 1bb0 s GLY 197 CO 0.00 0.22 0.68 2.56 0.00 0.00 0.00 173.10 176.55 1bb0 s PRO 198 N -5.08 4.37 -0.32 2.90 0.04 -1.26 -0.10 135.00 135.55 1bb0 s PRO 198 Ca 0.64 0.93 -0.08 0.00 0.04 0.00 0.00 61.00 62.54 1bb0 s PRO 198 Cb -0.17 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1bb0 s PRO 198 CO 0.56 0.58 0.11 0.12 0.04 0.00 0.00 177.00 178.41 1bb0 s PHE 199 N -1.17 3.19 0.21 0.56 2.19 -0.31 -3.69 117.98 118.95 1bb0 s PHE 199 Ca 0.33 -1.04 0.11 0.00 0.33 0.00 0.00 56.93 56.67 1bb0 s PHE 199 Cb -0.21 -2.29 -0.05 0.00 -1.31 0.00 0.00 43.02 39.16 1bb0 s PHE 199 CO 0.22 -0.61 -0.22 0.14 1.83 0.00 0.00 175.22 176.58 1bb0 s VAL 200 N 1.50 2.31 0.09 3.12 -7.23 -0.32 -1.16 120.40 118.70 1bb0 s VAL 200 Ca 0.02 -2.10 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 1bb0 s VAL 200 Cb -0.18 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1bb0 s VAL 200 CO 0.03 -0.20 -0.10 -0.04 -0.31 0.00 0.00 175.10 174.48 1bb0 s MET 201 N -2.87 0.80 -0.33 4.82 -1.94 0.23 -1.36 119.30 118.65 1bb0 s MET 201 Ca 0.22 -1.10 -0.11 0.00 -1.71 0.00 0.00 55.69 52.99 1bb0 s MET 201 Cb -0.07 -0.50 -0.01 0.00 2.01 0.00 0.00 34.83 36.26 1bb0 s MET 201 CO 0.10 0.08 0.19 0.21 -0.01 0.00 0.00 175.02 175.59 1bb0 s LYS 202 N -2.61 3.33 0.28 2.03 2.20 -1.26 0.48 119.74 124.19 1bb0 s LYS 202 Ca 0.03 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.61 1bb0 s LYS 202 Cb -0.04 -3.67 -0.11 0.00 -1.51 0.00 0.00 37.83 32.51 1bb0 s LYS 202 CO -0.00 -0.46 1.52 0.45 -0.36 0.00 0.00 175.35 176.50 1bb0 s SER 203 N 1.64 6.48 0.00 1.43 0.15 0.13 -4.90 113.70 118.64 1bb0 s SER 203 Ca 0.05 2.84 0.30 0.00 0.70 0.00 0.00 55.95 59.84 1bb0 s SER 203 Cb -0.17 -2.63 1.39 0.00 -1.71 0.00 0.00 66.02 62.89 1bb0 s SER 203 CO 0.08 -0.82 1.96 -0.81 1.20 0.00 0.00 173.24 174.84 1bb0 n PRO 204 N 2.11 0.67 -0.05 5.44 -0.04 -1.26 -1.64 135.00 140.23 1bb0 n PRO 204 Ca 0.07 -0.16 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 1bb0 n PRO 204 Cb 0.39 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 1bb0 n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1bb0 n PHE 204 N -1.03 0.81 -0.22 0.54 3.72 -1.26 -4.61 117.46 115.41 1bb0 n PHE 204 Ca 0.16 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.75 1bb0 n PHE 204 Cb 0.25 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.69 1bb0 n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1bb0 n ASN 204 N -3.56 1.37 -2.31 4.37 2.04 -1.25 -5.01 115.26 110.92 1bb0 n ASN 204 Ca -0.37 -1.60 -0.15 0.00 -0.44 0.00 0.00 54.58 52.02 1bb0 n ASN 204 Cb 0.99 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 38.22 1bb0 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1bb0 n ASN 205 N -0.30 -4.44 -4.93 0.53 4.13 -0.65 -4.99 115.26 104.61 1bb0 n ASN 205 Ca 0.00 0.16 -0.27 0.00 1.68 0.00 0.00 54.58 56.15 1bb0 n ASN 205 Cb 0.25 -3.78 -0.03 0.00 -1.54 0.00 0.00 39.78 34.68 1bb0 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1bb0 s ARG 206 N -4.83 3.50 -0.21 3.52 0.52 -1.25 -4.82 118.95 115.38 1bb0 s ARG 206 Ca 0.00 -0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 54.69 1bb0 s ARG 206 Cb 0.00 -2.85 -0.05 0.00 0.52 0.00 0.00 34.95 32.57 1bb0 s ARG 206 CO 0.00 0.41 0.18 -1.58 0.02 0.00 0.00 175.30 174.33 1bb0 s TRP 207 N -1.88 3.38 -0.05 -0.53 0.52 -1.26 0.20 118.94 119.32 1bb0 s TRP 207 Ca 0.38 0.34 0.04 0.00 0.02 0.00 0.00 56.10 56.88 1bb0 s TRP 207 Cb -0.11 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.94 1bb0 s TRP 207 CO 0.29 0.18 -0.15 0.71 0.02 0.00 0.00 176.95 178.00 1bb0 s TYR 208 N 0.71 2.68 -0.51 -1.98 2.02 0.18 -2.78 117.35 117.67 1bb0 s TYR 208 Ca 0.10 -0.20 -0.22 0.00 -0.37 0.00 0.00 57.07 56.38 1bb0 s TYR 208 Cb -0.12 -1.63 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1bb0 s TYR 208 CO 0.02 0.16 0.77 -1.14 -1.57 0.00 0.00 175.55 173.79 1bb0 s GLN 209 N -0.68 3.26 -0.08 -0.62 0.74 -0.56 0.74 119.66 122.46 1bb0 s GLN 209 Ca 0.10 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 55.04 1bb0 s GLN 209 Cb -0.11 -4.04 -0.25 0.00 1.10 0.00 0.00 33.01 29.71 1bb0 s GLN 209 CO 0.01 -1.29 0.53 0.52 -0.55 0.00 0.00 175.29 174.51 1bb0 h MET 210 N 9.10 0.16 -4.91 1.67 2.86 -1.48 -3.39 114.93 118.95 1bb0 h MET 210 Ca -0.26 -0.28 -0.32 0.00 -2.06 0.00 0.00 59.70 56.77 1bb0 h MET 210 Cb 1.09 0.10 -0.15 0.00 0.06 0.00 0.00 31.60 32.70 1bb0 h MET 210 CO 1.00 0.93 -0.66 0.20 1.06 0.00 0.00 176.91 179.44 1bb0 s GLY 211 N -5.34 1.36 -0.10 8.32 0.00 -0.89 -1.41 107.32 109.26 1bb0 s GLY 211 Ca -0.14 -1.66 0.04 0.00 0.00 0.00 0.00 44.72 42.95 1bb0 s GLY 211 CO 0.80 -1.58 -0.23 -0.42 0.00 0.00 0.00 173.10 171.67 1bb0 s ILE 212 N -3.58 1.99 -0.23 0.90 1.01 -0.86 -1.16 121.20 119.27 1bb0 s ILE 212 Ca 0.26 -0.98 -0.36 0.00 0.00 0.00 0.00 60.65 59.57 1bb0 s ILE 212 Cb 0.06 -1.73 -0.12 0.00 0.01 0.00 0.00 42.46 40.68 1bb0 s ILE 212 CO 0.06 0.55 1.96 0.52 0.00 0.00 0.00 174.94 178.02 1bb0 n VAL 213 N 3.52 0.38 0.01 2.92 0.31 0.86 -0.90 118.33 125.43 1bb0 n VAL 213 Ca -0.19 -0.15 -0.01 0.00 -0.01 0.00 0.00 64.34 63.98 1bb0 n VAL 213 Cb 0.53 -1.66 -0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1bb0 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bb0 n SER 214 N 7.53 0.50 -3.92 4.52 2.88 -0.78 -1.38 113.62 122.97 1bb0 n SER 214 Ca 0.30 0.07 -0.08 0.00 -1.33 0.00 0.00 58.87 57.83 1bb0 n SER 214 Cb 0.23 -0.24 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1bb0 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1bb0 s TRP 215 N -1.46 0.06 -0.01 0.66 1.48 -0.98 -4.91 118.94 113.77 1bb0 s TRP 215 Ca -0.03 -0.48 -0.06 0.00 -1.06 0.00 0.00 56.10 54.47 1bb0 s TRP 215 Cb 0.00 0.47 0.02 0.00 -1.16 0.00 0.00 33.47 32.80 1bb0 s TRP 215 CO 0.04 -1.13 0.28 0.41 -4.06 0.00 0.00 176.95 172.49 1bb0 n GLY 216 N -0.42 0.45 2.72 3.67 0.00 -1.26 -0.91 105.19 109.43 1bb0 n GLY 216 Ca -0.03 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 1bb0 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bb0 s GLU 217 N -2.00 0.79 0.46 1.61 2.02 -1.26 -5.04 118.70 115.27 1bb0 s GLU 217 Ca 0.07 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.83 1bb0 s GLU 217 Cb -0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1bb0 s GLU 217 CO -0.00 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 174.66 1bb0 n GLY 219 N 4.61 -2.28 3.03 -1.39 0.00 -1.26 -4.81 105.19 103.09 1bb0 n GLY 219 Ca 0.00 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 1bb0 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb0 n ASP 221 N 3.74 -4.68 -4.77 0.00 2.03 -1.26 -4.61 116.55 107.00 1bb0 n ASP 221 Ca -0.22 -0.75 -0.39 0.00 0.52 0.00 0.00 54.79 53.95 1bb0 n ASP 221 Cb 0.52 -4.04 -0.06 0.00 -0.72 0.00 0.00 41.12 36.82 1bb0 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1bb0 s ARG 221 N -6.53 4.67 0.37 -0.67 1.81 -1.26 -4.94 118.95 112.41 1bb0 s ARG 221 Ca 0.60 1.33 -0.27 0.00 -1.72 0.00 0.00 55.73 55.67 1bb0 s ARG 221 Cb -0.29 -3.09 -0.09 0.00 -0.45 0.00 0.00 34.95 31.03 1bb0 s ARG 221 CO 0.82 0.44 1.24 -0.51 -0.68 0.00 0.00 175.30 176.61 1bb0 s ASP 222 N -1.36 6.58 0.00 0.23 1.11 -1.26 -2.18 116.67 119.80 1bb0 s ASP 222 Ca 0.43 2.53 0.00 0.00 0.18 0.00 0.00 52.55 55.70 1bb0 s ASP 222 Cb -0.22 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.13 1bb0 s ASP 222 CO 0.27 -0.65 0.00 0.61 1.18 0.00 0.00 175.17 176.59 1bb0 n GLY 223 N 0.74 0.38 3.54 0.21 0.00 -1.26 -5.00 105.19 103.80 1bb0 n GLY 223 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1bb0 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bb0 s LYS 224 N -0.61 1.80 0.02 1.61 1.02 -0.93 -4.81 119.74 117.84 1bb0 s LYS 224 Ca 0.00 -1.95 -0.11 0.00 0.02 0.00 0.00 55.97 53.93 1bb0 s LYS 224 Cb 0.00 -1.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.77 1bb0 s LYS 224 CO 0.00 0.06 0.22 0.71 -0.92 0.00 0.00 175.35 175.42 1bb0 s TYR 225 N -2.74 -0.02 0.32 3.18 2.02 -1.26 -4.76 117.35 114.09 1bb0 s TYR 225 Ca 0.33 -0.09 -0.10 0.00 -0.37 0.00 0.00 57.07 56.83 1bb0 s TYR 225 Cb 0.05 0.01 -0.07 0.00 -0.40 0.00 0.00 41.96 41.55 1bb0 s TYR 225 CO 0.16 -0.39 0.66 0.20 -1.57 0.00 0.00 175.55 174.61 1bb0 s GLY 226 N -1.74 2.10 -0.02 0.71 0.00 -0.95 -4.62 107.32 102.80 1bb0 s GLY 226 Ca -0.09 -0.24 0.08 0.00 0.00 0.00 0.00 44.72 44.47 1bb0 s GLY 226 CO -0.01 -0.07 -0.26 -1.36 0.00 0.00 0.00 173.10 171.40 1bb0 s PHE 227 N -2.08 2.31 0.07 1.90 0.40 -0.09 -0.95 117.98 119.54 1bb0 s PHE 227 Ca 0.49 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1bb0 s PHE 227 Cb -0.11 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 1bb0 s PHE 227 CO 0.25 -0.04 -0.16 0.71 0.70 0.00 0.00 175.22 176.68 1bb0 s TYR 228 N -0.60 1.42 0.39 0.36 1.51 0.44 -1.86 117.35 119.01 1bb0 s TYR 228 Ca 0.10 -0.42 -0.26 0.00 -1.01 0.00 0.00 57.07 55.48 1bb0 s TYR 228 Cb -0.10 -0.80 -0.09 0.00 -0.11 0.00 0.00 41.96 40.86 1bb0 s TYR 228 CO -0.01 0.09 1.23 0.99 -1.11 0.00 0.00 175.55 176.74 1bb0 s THR 229 N -1.10 2.93 -0.79 -0.71 2.01 -0.07 -1.80 115.64 116.11 1bb0 s THR 229 Ca 0.02 0.82 -0.21 0.00 0.31 0.00 0.00 61.69 62.63 1bb0 s THR 229 Cb -0.09 -3.48 0.10 0.00 0.01 0.00 0.00 72.50 69.04 1bb0 s THR 229 CO 0.02 0.11 1.03 -2.28 -0.69 0.00 0.00 174.62 172.82 1bb0 s HIS 230 N -1.32 2.90 0.10 4.92 2.46 -0.47 -2.03 115.29 121.85 1bb0 s HIS 230 Ca 0.56 -0.97 -0.25 0.00 0.47 0.00 0.00 55.06 54.87 1bb0 s HIS 230 Cb -0.34 -4.28 -0.12 0.00 -0.13 0.00 0.00 32.58 27.71 1bb0 s HIS 230 CO 0.44 -1.56 1.70 0.28 -2.47 0.00 0.00 174.74 173.12 1bb0 h VAL 231 N 5.93 0.74 -0.71 0.89 2.07 -1.55 -2.84 116.25 120.78 1bb0 h VAL 231 Ca -0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1bb0 h VAL 231 Cb 1.05 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 1bb0 h VAL 231 CO 1.15 0.00 0.31 0.15 0.02 0.00 0.00 177.57 179.20 1bb0 h PHE 232 N -0.24 0.54 0.00 1.57 3.57 -1.87 -1.55 116.94 118.97 1bb0 h PHE 232 Ca 0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1bb0 h PHE 232 Cb 0.24 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1bb0 h PHE 232 CO -0.13 0.14 -0.01 0.00 -2.23 0.00 0.00 178.31 176.08 1bb0 h ARG 233 N 0.50 0.00 -0.34 1.11 3.08 -1.89 -2.24 114.38 114.60 1bb0 h ARG 233 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1bb0 h ARG 233 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1bb0 h ARG 233 CO -0.33 0.01 0.00 1.28 -1.07 0.00 0.00 179.97 179.86 1bb0 n LEU 234 N -3.35 2.94 -0.00 3.04 4.77 -0.62 -4.72 117.00 119.05 1bb0 n LEU 234 Ca -0.03 -1.75 0.04 0.00 -0.03 0.00 0.00 56.01 54.24 1bb0 n LEU 234 Cb 0.10 -0.22 0.42 0.00 -2.33 0.00 0.00 43.42 41.39 1bb0 n LEU 234 CO 0.23 0.70 1.15 0.50 -1.33 0.00 0.00 177.39 178.64 1bb0 h LYS 235 N 2.64 0.54 0.12 3.23 3.64 -0.94 -1.76 116.57 124.06 1bb0 h LYS 235 Ca 0.00 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1bb0 h LYS 235 Cb 0.75 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1bb0 h LYS 235 CO 0.00 0.37 -0.28 1.57 -2.27 0.00 0.00 179.45 178.84 1bb0 h LYS 236 N 0.56 -0.48 -0.84 1.90 -0.00 -1.85 0.60 116.57 116.47 1bb0 h LYS 236 Ca 0.15 0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.83 1bb0 h LYS 236 Cb -0.04 0.11 -0.04 0.00 -0.00 0.00 0.00 32.23 32.25 1bb0 h LYS 236 CO -0.03 -0.32 0.53 2.35 -0.00 0.00 0.00 179.45 181.98 1bb0 h TRP 237 N -0.49 1.07 0.25 0.07 7.01 -1.69 -0.68 115.95 121.49 1bb0 h TRP 237 Ca 0.03 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 1bb0 h TRP 237 Cb 0.52 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 27.22 1bb0 h TRP 237 CO -0.25 0.70 -0.14 0.82 -2.79 0.00 0.00 178.44 176.78 1bb0 h ILE 238 N 1.14 0.72 -0.36 2.65 2.04 -0.77 -1.67 117.51 121.26 1bb0 h ILE 238 Ca 0.30 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.18 1bb0 h ILE 238 Cb -0.09 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1bb0 h ILE 238 CO -0.06 0.00 0.21 1.56 0.00 0.00 0.00 178.15 179.86 1bb0 h GLN 239 N -0.36 0.41 -0.35 2.37 4.20 -0.76 -1.86 115.11 118.76 1bb0 h GLN 239 Ca -0.03 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.73 1bb0 h GLN 239 Cb 0.29 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.89 1bb0 h GLN 239 CO 0.04 0.27 -0.26 0.87 -0.67 0.00 0.00 178.83 179.09 1bb0 h LYS 240 N 0.43 -0.20 -0.11 1.46 1.57 -0.97 -0.27 116.57 118.47 1bb0 h LYS 240 Ca 0.14 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1bb0 h LYS 240 Cb 0.00 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1bb0 h LYS 240 CO -0.07 -0.14 -0.05 -0.24 -0.57 0.00 0.00 179.45 178.39 1bb0 h VAL 241 N -0.21 1.32 -0.19 0.50 3.04 -0.52 0.50 116.25 120.69 1bb0 h VAL 241 Ca 0.17 -1.07 0.03 0.00 -1.01 0.00 0.00 66.70 64.83 1bb0 h VAL 241 Cb 0.48 1.79 -0.03 0.00 -2.01 0.00 0.00 31.29 31.51 1bb0 h VAL 241 CO -0.47 0.30 -0.02 0.40 -1.01 0.00 0.00 177.57 176.77 1bb0 h ILE 242 N -0.11 0.84 0.67 3.17 2.04 -1.09 -1.30 117.51 121.73 1bb0 h ILE 242 Ca 0.03 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1bb0 h ILE 242 Cb 0.50 0.81 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1bb0 h ILE 242 CO 0.02 0.01 -0.32 0.44 0.00 0.00 0.00 178.15 178.29 1bb0 h ASP 243 N 0.03 -0.76 0.00 1.72 3.32 -1.00 4.17 116.42 123.91 1bb0 h ASP 243 Ca 0.09 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1bb0 h ASP 243 Cb 0.12 0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1bb0 h ASP 243 CO -0.17 -0.53 0.00 0.00 -1.72 0.00 0.00 179.24 176.82 1bb0 n GLN 244 N -5.47 0.50 0.00 3.56 -0.00 0.17 -4.17 117.38 111.97 1bb0 n GLN 244 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.87 1bb0 n GLN 244 Cb 0.37 -1.10 0.00 0.00 -0.00 0.00 0.00 30.24 29.51 1bb0 n GLN 244 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1bb0 n PHE 245 N -0.60 0.00 -0.04 2.61 1.16 -0.50 -4.99 117.46 115.09 1bb0 n PHE 245 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.60 1bb0 n PHE 245 Cb 0.01 0.06 0.00 0.00 -1.61 0.00 0.00 39.48 37.94 1bb0 n PHE 245 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30