#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bza s ILE 5 N 0.00 4.49 0.55 6.31 1.01 -1.26 -5.03 121.20 127.28 3bza s ILE 5 Ca 0.00 0.59 -0.17 0.00 0.00 0.00 0.00 60.65 61.07 3bza s ILE 5 Cb 0.00 -4.43 -0.06 0.00 0.01 0.00 0.00 42.46 37.98 3bza s ILE 5 CO 0.00 -0.86 1.03 -2.16 0.00 0.00 0.00 174.94 172.95 3bza s PRO 6 N 3.69 3.59 -0.10 2.79 0.04 -1.26 -4.82 135.00 138.93 3bza s PRO 6 Ca 0.34 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 3bza s PRO 6 Cb -0.11 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3bza s PRO 6 CO 0.24 -0.59 1.34 0.21 0.04 0.00 0.00 177.00 178.24 3bza s LYS 7 N -3.89 4.25 0.65 4.56 2.20 -1.26 -4.99 119.74 121.27 3bza s LYS 7 Ca 0.63 1.80 -0.18 0.00 -0.36 0.00 0.00 55.97 57.86 3bza s LYS 7 Cb -0.14 -3.74 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 3bza s LYS 7 CO 0.32 -0.67 1.19 -2.30 -0.36 0.00 0.00 175.35 173.53 3bza n PRO 8 N 6.26 0.96 0.10 4.03 -0.02 -1.26 -4.92 135.00 140.15 3bza n PRO 8 Ca 0.14 0.38 -0.05 0.00 -2.02 0.00 0.00 63.50 61.95 3bza n PRO 8 Cb 0.45 -2.42 0.06 0.00 -0.02 0.00 0.00 33.50 31.56 3bza n PRO 8 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3bza h VAL 9 N 0.37 1.48 -3.54 -1.45 3.04 -1.97 -3.45 116.25 110.73 3bza h VAL 9 Ca -0.50 -2.42 -0.56 0.00 -1.01 0.00 0.00 66.70 62.22 3bza h VAL 9 Cb 1.34 2.31 0.11 0.00 -2.01 0.00 0.00 31.29 33.04 3bza h VAL 9 CO 0.52 0.70 0.62 0.00 -1.01 0.00 0.00 177.57 178.39 3bza n ALA 10 N -2.44 1.73 -1.76 3.17 0.00 -1.26 -4.93 120.51 115.02 3bza n ALA 10 Ca -0.02 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.37 3bza n ALA 10 Cb 0.72 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 3bza n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bza s PRO 11 N -1.94 4.50 0.56 0.00 0.04 -1.26 -4.89 135.00 132.01 3bza s PRO 11 Ca 0.55 2.00 -0.21 0.00 0.04 0.00 0.00 61.00 63.37 3bza s PRO 11 Cb -0.53 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 3bza s PRO 11 CO 0.63 0.02 1.31 0.00 0.04 0.00 0.00 177.00 179.00 3bza s ALA 12 N -1.16 2.73 0.48 8.56 0.00 -1.26 -4.73 121.76 126.38 3bza s ALA 12 Ca 0.47 1.24 -0.23 0.00 0.00 0.00 0.00 51.96 53.44 3bza s ALA 12 Cb -0.36 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 3bza s ALA 12 CO 0.47 -1.32 1.24 -1.25 0.00 0.00 0.00 175.76 174.90 3bza s PRO 13 N -3.01 3.60 -0.62 0.00 0.04 -1.26 -4.94 135.00 128.81 3bza s PRO 13 Ca 0.73 1.97 -0.28 0.00 0.04 0.00 0.00 61.00 63.46 3bza s PRO 13 Cb -0.38 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 31.78 3bza s PRO 13 CO 0.44 -0.74 1.32 0.34 0.04 0.00 0.00 177.00 178.39 3bza s ASP 14 N -1.15 6.22 -0.11 6.66 -1.08 -1.26 -4.93 116.67 121.01 3bza s ASP 14 Ca 0.65 0.02 -0.21 0.00 -0.52 0.00 0.00 52.55 52.49 3bza s ASP 14 Cb -0.33 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.54 3bza s ASP 14 CO 0.41 -1.69 0.60 -0.63 0.52 0.00 0.00 175.17 174.38 3bza s ILE 15 N 5.69 5.09 -0.14 4.11 1.01 -1.26 -1.34 121.20 134.37 3bza s ILE 15 Ca 0.45 1.21 -0.27 0.00 0.00 0.00 0.00 60.65 62.03 3bza s ILE 15 Cb -0.09 -3.94 -0.24 0.00 0.01 0.00 0.00 42.46 38.20 3bza s ILE 15 CO 0.22 0.25 0.71 -0.07 0.00 0.00 0.00 174.94 176.05 3bza h LEU 16 N 7.06 0.00 -7.08 2.97 3.38 -0.87 -3.46 115.31 117.31 3bza h LEU 16 Ca -0.39 -0.93 0.33 0.00 0.09 0.00 0.00 57.88 56.98 3bza h LEU 16 Cb 1.18 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.77 3bza h LEU 16 CO 0.76 0.99 0.89 0.00 0.09 0.00 0.00 178.44 181.18 3bza s ARG 17 N -2.19 0.21 0.58 1.13 1.70 -1.22 -3.58 118.95 115.58 3bza s ARG 17 Ca -0.18 -0.10 -0.20 0.00 -0.47 0.00 0.00 55.73 54.78 3bza s ARG 17 Cb -0.02 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 3bza s ARG 17 CO 0.65 -0.10 1.26 0.00 -1.08 0.00 0.00 175.30 176.04 3bza n ALA 19 N -1.43 2.94 -3.31 0.00 0.00 -0.03 -4.75 120.51 113.92 3bza n ALA 19 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 3bza n ALA 19 Cb 0.48 0.28 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 3bza n ALA 19 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3bza s TYR 20 N -1.97 -0.37 0.01 0.00 1.13 -1.15 -4.29 117.35 110.71 3bza s TYR 20 Ca 0.00 0.10 0.08 0.00 -1.41 0.00 0.00 57.07 55.84 3bza s TYR 20 Cb 0.00 0.46 -0.02 0.00 -1.10 0.00 0.00 41.96 41.30 3bza s TYR 20 CO 0.00 -0.84 -0.24 0.00 -2.51 0.00 0.00 175.55 171.96 3bza s ALA 21 N -3.79 2.04 -0.29 9.51 0.00 -0.92 -0.38 121.76 127.93 3bza s ALA 21 Ca 0.03 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 3bza s ALA 21 Cb -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 3bza s ALA 21 CO -0.10 0.49 0.14 -2.00 0.00 0.00 0.00 175.76 174.29 3bza s GLU 22 N -0.85 3.55 -0.16 0.00 2.12 0.57 -1.13 118.70 122.79 3bza s GLU 22 Ca 0.10 -0.57 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 3bza s GLU 22 Cb -0.09 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 3bza s GLU 22 CO 0.00 -0.31 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.84 3bza s LEU 23 N 1.65 3.04 0.10 2.70 1.43 -0.22 -0.51 118.68 126.87 3bza s LEU 23 Ca 0.06 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 3bza s LEU 23 Cb -0.16 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 3bza s LEU 23 CO 0.07 0.14 0.97 -0.69 0.23 0.00 0.00 176.35 177.07 3bza s VAL 24 N 0.53 4.52 0.14 -1.59 1.01 0.97 -1.46 120.40 124.51 3bza s VAL 24 Ca -0.05 2.05 0.07 0.00 0.00 0.00 0.00 61.98 64.06 3bza s VAL 24 Cb -0.15 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3bza s VAL 24 CO 0.03 0.30 -0.17 0.68 0.00 0.00 0.00 175.10 175.94 3bza s VAL 25 N 0.11 1.60 -0.11 2.92 -7.23 0.25 -2.73 120.40 115.21 3bza s VAL 25 Ca 0.48 -1.80 0.13 0.00 -1.81 0.00 0.00 61.98 58.98 3bza s VAL 25 Cb -0.23 -1.69 -0.24 0.00 0.56 0.00 0.00 36.38 34.78 3bza s VAL 25 CO 0.30 -0.34 0.42 0.35 -0.31 0.00 0.00 175.10 175.52 3bza n THR 26 N 0.45 1.54 -3.81 5.32 -2.24 -1.26 -1.27 114.28 113.02 3bza n THR 26 Ca -0.15 -0.81 -0.30 0.00 -2.27 0.00 0.00 64.05 60.53 3bza n THR 26 Cb 0.57 -0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 67.76 3bza n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bza s ASP 27 N -5.94 4.01 0.24 3.42 -1.08 -1.26 -4.75 116.67 111.30 3bza s ASP 27 Ca -0.08 -1.57 -0.07 0.00 -0.52 0.00 0.00 52.55 50.31 3bza s ASP 27 Cb 0.07 -1.00 0.24 0.00 -1.46 0.00 0.00 42.92 40.77 3bza s ASP 27 CO 0.82 -0.37 1.91 0.25 0.52 0.00 0.00 175.17 178.29 3bza h LEU 28 N 8.01 1.04 -0.57 -1.34 5.85 -1.95 -1.66 115.31 124.70 3bza h LEU 28 Ca -0.13 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 3bza h LEU 28 Cb 1.03 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 3bza h LEU 28 CO 0.46 0.75 0.16 0.00 -0.34 0.00 0.00 178.44 179.47 3bza h ALA 29 N 1.34 0.75 -0.58 1.25 0.00 -1.97 0.87 119.26 120.93 3bza h ALA 29 Ca 0.34 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3bza h ALA 29 Cb -0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3bza h ALA 29 CO -0.08 0.43 0.05 0.87 0.00 0.00 0.00 179.25 180.52 3bza h LYS 30 N 0.81 0.99 -0.73 0.00 1.57 -1.91 -1.23 116.57 116.07 3bza h LYS 30 Ca 0.18 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3bza h LYS 30 Cb 0.31 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3bza h LYS 30 CO -0.00 0.96 0.24 0.77 -0.57 0.00 0.00 179.45 180.85 3bza h SER 31 N 0.88 1.04 -0.64 0.86 0.02 -1.10 -2.56 113.55 112.05 3bza h SER 31 Ca 0.17 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3bza h SER 31 Cb 0.48 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 3bza h SER 31 CO 0.02 0.96 0.38 -0.09 -1.14 0.00 0.00 176.83 176.96 3bza h ARG 32 N 1.08 0.88 -0.72 3.45 2.43 -0.44 -0.34 114.38 120.72 3bza h ARG 32 Ca 0.24 -0.08 0.14 0.00 -0.81 0.00 0.00 59.98 59.46 3bza h ARG 32 Cb 0.28 -0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 29.55 3bza h ARG 32 CO -0.01 0.63 0.25 -0.91 -1.51 0.00 0.00 179.97 178.42 3bza h ASN 33 N 0.87 0.18 0.21 -3.80 2.35 -0.96 0.12 115.58 114.56 3bza h ASN 33 Ca 0.23 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 3bza h ASN 33 Cb -0.02 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3bza h ASN 33 CO -0.04 0.06 -0.10 0.15 -1.65 0.00 0.00 177.43 175.85 3bza h PHE 34 N 0.38 -0.26 -0.00 1.19 3.57 -0.99 0.45 116.94 121.28 3bza h PHE 34 Ca 0.39 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.72 3bza h PHE 34 Cb 0.61 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3bza h PHE 34 CO -0.20 0.14 -0.78 1.88 -2.23 0.00 0.00 178.31 177.13 3bza h TYR 35 N -0.85 0.10 0.00 0.41 0.05 -0.98 -0.86 116.97 114.84 3bza h TYR 35 Ca -0.03 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.60 3bza h TYR 35 Cb 0.51 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 3bza h TYR 35 CO 0.07 0.82 -1.17 0.28 -1.05 0.00 0.00 178.16 177.10 3bza n VAL 36 N -3.66 1.49 -0.05 -2.88 0.31 0.42 -1.65 118.33 112.32 3bza n VAL 36 Ca -0.02 0.05 -0.15 0.00 -0.01 0.00 0.00 64.34 64.22 3bza n VAL 36 Cb 0.75 -2.25 -0.08 0.00 -0.91 0.00 0.00 33.84 31.35 3bza n VAL 36 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3bza h ASP 37 N -1.00 0.53 0.05 4.52 3.32 -1.28 -0.14 116.42 122.42 3bza h ASP 37 Ca -0.15 -0.57 -0.00 0.00 0.02 0.00 0.00 57.03 56.32 3bza h ASP 37 Cb 1.01 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3bza h ASP 37 CO -0.09 1.01 -0.02 0.58 -1.72 0.00 0.00 179.24 178.99 3bza h VAL 38 N 0.08 1.02 0.00 -1.35 2.07 -0.73 -3.39 116.25 113.95 3bza h VAL 38 Ca -0.00 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.92 3bza h VAL 38 Cb 0.93 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3bza h VAL 38 CO 0.07 0.32 -0.63 -0.07 0.02 0.00 0.00 177.57 177.29 3bza h LEU 39 N -0.95 0.00 0.16 2.57 3.38 -1.27 -3.49 115.31 115.72 3bza h LEU 39 Ca -0.01 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3bza h LEU 39 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3bza h LEU 39 CO 0.01 0.07 -0.06 0.61 0.09 0.00 0.00 178.44 179.16 3bza n GLY 40 N 1.29 0.65 3.73 0.83 0.00 -0.06 -4.51 105.19 107.10 3bza n GLY 40 Ca 0.03 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 3bza n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bza s LEU 41 N -0.78 3.28 -0.17 0.99 1.43 -0.66 -4.87 118.68 117.91 3bza s LEU 41 Ca 0.00 2.27 -0.08 0.00 -1.03 0.00 0.00 54.13 55.29 3bza s LEU 41 Cb 0.00 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.60 3bza s LEU 41 CO 0.00 -2.22 0.09 -1.00 0.23 0.00 0.00 176.35 173.45 3bza s HIS 42 N -2.12 3.35 -0.14 0.29 3.76 -0.61 -4.64 115.29 115.18 3bza s HIS 42 Ca 0.72 0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 55.57 3bza s HIS 42 Cb -0.27 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.35 3bza s HIS 42 CO 0.46 0.31 1.06 0.08 -0.85 0.00 0.00 174.74 175.81 3bza s VAL 43 N 0.04 4.64 -0.11 -0.90 1.01 -1.26 -0.27 120.40 123.55 3bza s VAL 43 Ca 0.07 1.94 0.20 0.00 0.00 0.00 0.00 61.98 64.19 3bza s VAL 43 Cb -0.12 -4.25 -0.29 0.00 0.00 0.00 0.00 36.38 31.72 3bza s VAL 43 CO 0.00 -0.07 0.32 -1.20 0.00 0.00 0.00 175.10 174.16 3bza n SER 44 N 5.58 0.05 -3.62 3.32 7.64 0.11 -4.95 113.62 121.75 3bza n SER 44 Ca 0.10 0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.94 3bza n SER 44 Cb 0.47 1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 65.08 3bza n SER 44 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3bza s TYR 45 N -3.04 -0.27 -0.03 1.43 5.04 -1.19 -5.00 117.35 114.29 3bza s TYR 45 Ca -0.09 0.57 -0.18 0.00 -2.44 0.00 0.00 57.07 54.94 3bza s TYR 45 Cb 0.10 0.44 0.03 0.00 0.35 0.00 0.00 41.96 42.88 3bza s TYR 45 CO 0.87 -0.18 0.38 -1.83 -1.34 0.00 0.00 175.55 173.45 3bza s GLU 46 N -0.44 0.72 0.00 4.97 -1.05 -1.26 -0.72 118.70 120.92 3bza s GLU 46 Ca 0.04 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 3bza s GLU 46 Cb -0.03 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 3bza s GLU 46 CO -0.06 -0.20 0.00 -0.40 0.95 0.00 0.00 175.26 175.55 3bza n ASP 47 N 1.33 0.00 0.00 0.83 5.68 -0.55 -5.02 116.55 118.81 3bza n ASP 47 Ca -0.21 -0.07 0.12 0.00 -0.50 0.00 0.00 54.79 54.14 3bza n ASP 47 Cb 0.56 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.10 3bza n ASP 47 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3bza n GLU 48 N 0.00 0.17 -0.01 0.11 0.00 -1.26 -3.80 120.64 115.86 3bza n GLU 48 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 57.16 57.23 3bza n GLU 48 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.92 3bza n GLU 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3bza n ASN 49 N -1.39 4.40 -3.91 -1.84 3.02 -1.26 -4.97 115.26 109.31 3bza n ASN 49 Ca 0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.53 3bza n ASN 49 Cb 0.24 0.70 -0.12 0.00 -0.61 0.00 0.00 39.78 39.99 3bza n ASN 49 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3bza s GLN 50 N -2.09 0.27 -0.09 3.52 -0.21 -1.25 -0.89 119.66 118.93 3bza s GLN 50 Ca -0.01 -0.33 0.03 0.00 0.02 0.00 0.00 55.36 55.07 3bza s GLN 50 Cb 0.01 0.10 0.00 0.00 1.00 0.00 0.00 33.01 34.13 3bza s GLN 50 CO 0.10 -0.05 -0.20 0.42 -2.12 0.00 0.00 175.29 173.44 3bza s ILE 51 N -0.94 1.74 -0.18 1.08 1.01 -0.35 -1.49 121.20 122.08 3bza s ILE 51 Ca -0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 3bza s ILE 51 Cb -0.06 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 3bza s ILE 51 CO -0.00 0.49 -0.02 -0.31 0.00 0.00 0.00 174.94 175.10 3bza s TYR 52 N 0.46 3.04 0.07 3.97 2.02 0.10 -0.18 117.35 126.83 3bza s TYR 52 Ca -0.17 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.21 3bza s TYR 52 Cb -0.17 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 3bza s TYR 52 CO 0.07 -0.12 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.29 3bza s LEU 53 N 0.64 2.27 0.05 -1.29 1.43 0.45 -0.71 118.68 121.53 3bza s LEU 53 Ca -0.01 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 3bza s LEU 53 Cb -0.14 -0.45 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 3bza s LEU 53 CO 0.02 -0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.51 3bza s ARG 54 N -1.70 0.62 0.72 1.70 1.70 0.63 -0.43 118.95 122.19 3bza s ARG 54 Ca -0.03 -1.13 -0.07 0.00 -0.47 0.00 0.00 55.73 54.02 3bza s ARG 54 Cb -0.10 0.22 0.08 0.00 -0.57 0.00 0.00 34.95 34.58 3bza s ARG 54 CO 0.02 -0.13 1.03 -1.54 -1.08 0.00 0.00 175.30 173.60 3bza s SER 55 N -2.80 4.65 0.36 -2.89 1.04 -1.26 -1.57 113.70 111.24 3bza s SER 55 Ca 0.05 0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.91 3bza s SER 55 Cb 0.06 -0.96 0.75 0.00 0.10 0.00 0.00 66.02 65.98 3bza s SER 55 CO -0.09 -1.70 1.96 0.15 0.98 0.00 0.00 173.24 174.53 3bza h PHE 56 N -0.66 0.75 -0.61 5.02 3.57 -1.12 -2.80 116.94 121.09 3bza h PHE 56 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3bza h PHE 56 Cb 1.31 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3bza h PHE 56 CO 0.18 0.39 0.00 0.39 -2.23 0.00 0.00 178.31 177.04 3bza n GLU 57 N -4.48 2.84 -3.11 1.11 1.02 -0.45 -2.21 120.64 115.37 3bza n GLU 57 Ca 0.11 -2.50 -0.37 0.00 -0.02 0.00 0.00 57.16 54.38 3bza n GLU 57 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 3bza n GLU 57 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3bza s GLU 58 N -1.08 4.31 -0.01 3.49 2.56 -1.06 -4.79 118.70 122.12 3bza s GLU 58 Ca 0.41 0.90 0.07 0.00 0.00 0.00 0.00 54.97 56.35 3bza s GLU 58 Cb 0.22 -3.04 -0.10 0.00 2.00 0.00 0.00 34.13 33.21 3bza s GLU 58 CO 0.27 0.49 0.17 1.97 -0.56 0.00 0.00 175.26 177.60 3bza n PHE 59 N 1.11 0.00 -1.37 5.30 -1.74 -1.26 -4.21 117.46 115.29 3bza n PHE 59 Ca -0.05 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.55 3bza n PHE 59 Cb 0.50 -0.13 0.13 0.00 1.52 0.00 0.00 39.48 41.50 3bza n PHE 59 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 3bza s ILE 60 N -2.33 2.65 0.26 1.97 -4.36 -1.26 -1.25 121.20 116.88 3bza s ILE 60 Ca -0.02 0.21 -0.01 0.00 -0.26 0.00 0.00 60.65 60.57 3bza s ILE 60 Cb 0.05 -2.82 0.25 0.00 1.25 0.00 0.00 42.46 41.18 3bza s ILE 60 CO 0.28 -0.27 1.82 -0.74 0.24 0.00 0.00 174.94 176.27 3bza h HIS 61 N -1.42 0.99 -2.56 1.37 -0.00 -1.57 -3.42 115.15 108.54 3bza h HIS 61 Ca -0.49 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 59.93 3bza h HIS 61 Cb 1.29 -0.31 -0.15 0.00 -0.00 0.00 0.00 27.41 28.25 3bza h HIS 61 CO 0.41 0.39 0.32 -3.38 -0.00 0.00 0.00 177.93 175.67 3bza s HIS 62 N -5.99 -0.48 -0.60 5.26 0.00 -1.26 -4.72 115.29 107.50 3bza s HIS 62 Ca -0.12 0.40 0.11 0.00 -3.00 0.00 0.00 55.06 52.45 3bza s HIS 62 Cb 0.21 0.53 -0.10 0.00 -4.00 0.00 0.00 32.58 29.21 3bza s HIS 62 CO 0.79 -0.69 0.50 0.09 -1.00 0.00 0.00 174.74 174.44 3bza n ASN 63 N -0.12 0.64 -3.68 7.38 5.03 0.43 -4.59 115.26 120.35 3bza n ASN 63 Ca -0.14 -0.82 -0.10 0.00 0.87 0.00 0.00 54.58 54.39 3bza n ASN 63 Cb 0.63 0.93 -0.10 0.00 -1.02 0.00 0.00 39.78 40.21 3bza n ASN 63 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3bza s LEU 64 N -2.42 -0.31 -0.13 3.41 2.96 -0.77 -2.17 118.68 119.24 3bza s LEU 64 Ca 0.05 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 55.04 3bza s LEU 64 Cb 0.09 1.63 0.01 0.00 0.50 0.00 0.00 46.19 48.42 3bza s LEU 64 CO 0.44 -0.20 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.36 3bza s VAL 65 N 1.42 2.00 -0.25 1.68 1.01 -0.29 -0.41 120.40 125.57 3bza s VAL 65 Ca -0.09 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.85 3bza s VAL 65 Cb -0.07 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3bza s VAL 65 CO -0.14 0.54 0.12 -0.76 0.00 0.00 0.00 175.10 174.86 3bza s LEU 66 N 0.80 3.78 -0.14 3.92 1.43 0.75 -1.06 118.68 128.16 3bza s LEU 66 Ca -0.08 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3bza s LEU 66 Cb -0.16 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3bza s LEU 66 CO -0.01 0.01 -0.17 -0.89 0.23 0.00 0.00 176.35 175.52 3bza s THR 67 N 1.36 1.71 0.26 5.49 2.01 -0.54 -1.22 115.64 124.72 3bza s THR 67 Ca 0.06 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 3bza s THR 67 Cb -0.15 -1.56 -0.10 0.00 0.01 0.00 0.00 72.50 70.70 3bza s THR 67 CO 0.06 0.48 1.43 -0.75 -0.69 0.00 0.00 174.62 175.14 3bza s LYS 68 N 1.15 4.27 0.15 4.92 2.20 -0.06 -0.58 119.74 131.78 3bza s LYS 68 Ca -0.01 2.30 -0.25 0.00 -0.36 0.00 0.00 55.97 57.65 3bza s LYS 68 Cb -0.14 -3.10 0.06 0.00 -1.51 0.00 0.00 37.83 33.14 3bza s LYS 68 CO -0.06 -0.40 0.93 0.20 -0.36 0.00 0.00 175.35 175.66 3bza s GLY 69 N 0.25 -0.25 0.23 5.54 0.00 -0.40 -4.83 107.32 107.85 3bza s GLY 69 Ca 0.58 0.19 0.08 0.00 0.00 0.00 0.00 44.72 45.57 3bza s GLY 69 CO 0.45 0.03 1.52 -0.56 0.00 0.00 0.00 173.10 174.55 3bza h PRO 70 N 2.00 0.07 -4.51 2.90 0.13 -1.94 -3.37 132.00 127.29 3bza h PRO 70 Ca -0.24 -0.06 -0.56 0.00 -0.87 0.00 0.00 66.00 64.27 3bza h PRO 70 Cb 1.23 0.01 -0.36 0.00 0.13 0.00 0.00 31.00 32.02 3bza h PRO 70 CO 0.26 0.75 -0.82 0.08 -0.23 0.00 0.00 178.00 178.04 3bza s VAL 71 N -3.45 1.28 0.16 1.56 1.01 -1.26 -4.96 120.40 114.74 3bza s VAL 71 Ca -0.02 -0.48 -0.32 0.00 0.00 0.00 0.00 61.98 61.16 3bza s VAL 71 Cb 0.12 -1.22 -0.10 0.00 0.00 0.00 0.00 36.38 35.18 3bza s VAL 71 CO 0.79 0.40 1.56 0.00 0.00 0.00 0.00 175.10 177.85 3bza s ALA 72 N 1.30 3.77 -0.05 5.51 0.00 -1.26 -4.78 121.76 126.25 3bza s ALA 72 Ca -0.01 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 3bza s ALA 72 Cb -0.14 -3.62 0.11 0.00 0.00 0.00 0.00 23.12 19.48 3bza s ALA 72 CO -0.05 -0.77 1.01 0.00 0.00 0.00 0.00 175.76 175.95 3bza s ALA 73 N 1.14 -1.91 -0.03 0.00 0.00 -1.11 -4.49 121.76 115.36 3bza s ALA 73 Ca 0.70 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 53.45 3bza s ALA 73 Cb -0.43 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3bza s ALA 73 CO 0.31 -0.71 1.26 -1.17 0.00 0.00 0.00 175.76 175.45 3bza s LEU 74 N -2.46 4.29 -0.17 0.00 2.96 0.90 -0.02 118.68 124.18 3bza s LEU 74 Ca 0.07 1.91 0.08 0.00 -0.22 0.00 0.00 54.13 55.97 3bza s LEU 74 Cb -0.01 -3.56 -0.22 0.00 0.50 0.00 0.00 46.19 42.90 3bza s LEU 74 CO -0.06 -0.62 0.15 1.17 -1.32 0.00 0.00 176.35 175.67 3bza n LYS 75 N 5.19 0.68 -3.63 1.98 4.81 0.34 -0.41 118.16 127.12 3bza n LYS 75 Ca 0.11 0.14 -0.11 0.00 -0.87 0.00 0.00 58.31 57.59 3bza n LYS 75 Cb 0.45 -1.61 -0.07 0.00 0.02 0.00 0.00 35.03 33.83 3bza n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bza s ALA 76 N -2.53 -1.88 -0.27 3.14 0.00 -1.07 -4.77 121.76 114.38 3bza s ALA 76 Ca -0.18 2.04 -0.07 0.00 0.00 0.00 0.00 51.96 53.75 3bza s ALA 76 Cb 0.07 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 3bza s ALA 76 CO 0.75 -0.31 0.07 0.00 0.00 0.00 0.00 175.76 176.27 3bza s MET 77 N 0.55 3.39 -0.10 0.00 0.23 0.21 -0.32 119.30 123.25 3bza s MET 77 Ca -0.01 -0.66 -0.04 0.00 -1.03 0.00 0.00 55.69 53.96 3bza s MET 77 Cb -0.05 -3.33 -0.04 0.00 -1.53 0.00 0.00 34.83 29.89 3bza s MET 77 CO -0.05 -0.30 0.05 0.00 -2.03 0.00 0.00 175.02 172.69 3bza s ALA 78 N 1.56 3.48 -0.06 3.16 0.00 0.49 -0.82 121.76 129.57 3bza s ALA 78 Ca 0.05 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.32 3bza s ALA 78 Cb -0.16 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 3bza s ALA 78 CO 0.03 0.57 -0.24 -0.06 0.00 0.00 0.00 175.76 176.05 3bza s PHE 79 N -0.83 2.34 0.09 0.00 0.08 0.80 -0.85 117.98 119.60 3bza s PHE 79 Ca 0.13 -0.69 -0.26 0.00 0.12 0.00 0.00 56.93 56.23 3bza s PHE 79 Cb -0.12 -1.54 -0.06 0.00 -0.57 0.00 0.00 43.02 40.73 3bza s PHE 79 CO 0.03 -0.21 0.79 0.50 -0.10 0.00 0.00 175.22 176.23 3bza s ARG 80 N -0.14 4.54 0.31 0.44 3.52 -0.81 -2.68 118.95 124.13 3bza s ARG 80 Ca -0.03 1.14 0.07 0.00 -0.13 0.00 0.00 55.73 56.77 3bza s ARG 80 Cb -0.13 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3bza s ARG 80 CO 0.03 0.36 0.37 0.14 -0.81 0.00 0.00 175.30 175.39 3bza s VAL 81 N -0.37 4.16 0.20 7.11 -7.23 0.21 -0.18 120.40 124.31 3bza s VAL 81 Ca 0.39 -1.15 -0.02 0.00 -1.81 0.00 0.00 61.98 59.39 3bza s VAL 81 Cb -0.22 -3.42 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 3bza s VAL 81 CO 0.25 -0.21 1.51 -0.09 -0.31 0.00 0.00 175.10 176.25 3bza h ARG 82 N 1.11 0.49 -4.47 4.82 2.43 -1.53 -3.42 114.38 113.81 3bza h ARG 82 Ca -0.47 -0.32 -0.18 0.00 -0.81 0.00 0.00 59.98 58.21 3bza h ARG 82 Cb 1.25 0.04 -0.15 0.00 -0.42 0.00 0.00 29.97 30.69 3bza h ARG 82 CO 0.57 0.92 -0.68 0.95 -1.51 0.00 0.00 179.97 180.21 3bza s THR 83 N -3.94 0.45 0.37 0.20 -4.23 -1.26 -5.03 115.64 102.20 3bza s THR 83 Ca -0.07 -1.88 0.13 0.00 -1.18 0.00 0.00 61.69 58.69 3bza s THR 83 Cb 0.11 -1.66 0.35 0.00 1.34 0.00 0.00 72.50 72.64 3bza s THR 83 CO 0.83 -0.88 1.80 -0.65 -0.54 0.00 0.00 174.62 175.18 3bza h PRO 84 N 3.02 0.52 0.00 3.99 0.11 -1.96 -1.06 132.00 136.62 3bza h PRO 84 Ca -0.35 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 3bza h PRO 84 Cb 1.16 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3bza h PRO 84 CO 0.65 0.34 -0.16 0.93 -0.21 0.00 0.00 178.00 179.55 3bza h GLU 85 N 0.54 0.00 0.00 1.05 3.07 -1.99 -2.23 114.58 115.02 3bza h GLU 85 Ca 0.55 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.41 3bza h GLU 85 Cb 1.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3bza h GLU 85 CO -0.30 0.16 -0.04 -0.44 -1.40 0.00 0.00 179.01 176.99 3bza h ASP 86 N 0.00 0.00 -0.11 1.42 3.32 -1.58 -2.32 116.42 117.15 3bza h ASP 86 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3bza h ASP 86 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3bza h ASP 86 CO 0.02 0.04 -0.24 0.58 -1.72 0.00 0.00 179.24 177.93 3bza h VAL 87 N 0.00 1.39 -0.58 -1.35 2.07 -1.51 -0.43 116.25 115.84 3bza h VAL 87 Ca -0.00 -1.53 0.10 0.00 0.82 0.00 0.00 66.70 66.08 3bza h VAL 87 Cb 0.35 2.11 -0.07 0.00 -1.52 0.00 0.00 31.29 32.16 3bza h VAL 87 CO 0.01 0.44 0.17 0.44 0.02 0.00 0.00 177.57 178.65 3bza h ASP 88 N -0.09 0.11 -0.85 0.57 3.32 -1.64 -0.96 116.42 116.89 3bza h ASP 88 Ca 0.00 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.19 3bza h ASP 88 Cb 0.83 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 3bza h ASP 88 CO 0.05 0.07 0.54 0.11 -1.72 0.00 0.00 179.24 178.30 3bza h LYS 89 N 0.32 0.99 -0.66 3.56 1.57 -1.29 -0.95 116.57 120.12 3bza h LYS 89 Ca 0.29 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3bza h LYS 89 Cb 0.39 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3bza h LYS 89 CO -0.34 0.65 0.11 0.00 -0.57 0.00 0.00 179.45 179.31 3bza h ALA 90 N 1.38 0.95 -0.26 3.86 0.00 -0.43 -0.80 119.26 123.96 3bza h ALA 90 Ca 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3bza h ALA 90 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3bza h ALA 90 CO -0.14 0.66 0.11 1.49 0.00 0.00 0.00 179.25 181.36 3bza h GLU 91 N 1.01 0.39 -0.56 0.00 4.81 -0.31 -1.65 114.58 118.27 3bza h GLU 91 Ca 0.20 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3bza h GLU 91 Cb 0.42 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3bza h GLU 91 CO 0.01 0.42 0.28 0.00 -0.73 0.00 0.00 179.01 178.99 3bza h ALA 92 N 0.95 0.72 0.29 2.92 0.00 -1.08 -1.39 119.26 121.67 3bza h ALA 92 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bza h ALA 92 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3bza h ALA 92 CO -0.01 0.26 -0.24 -0.92 0.00 0.00 0.00 179.25 178.35 3bza h TYR 93 N 0.75 -0.63 0.00 0.00 3.20 -0.97 -0.24 116.97 119.07 3bza h TYR 93 Ca 0.19 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 3bza h TYR 93 Cb 0.09 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3bza h TYR 93 CO -0.01 -0.36 -0.47 1.88 -1.64 0.00 0.00 178.16 177.56 3bza h TYR 94 N -0.54 0.00 -0.52 -3.82 0.05 -1.27 -2.01 116.97 108.85 3bza h TYR 94 Ca -0.02 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 3bza h TYR 94 Cb 0.48 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 3bza h TYR 94 CO -0.14 0.47 0.23 1.96 -1.05 0.00 0.00 178.16 179.63 3bza h GLN 95 N 0.00 0.77 -0.43 4.88 4.20 -1.08 -0.58 115.11 122.86 3bza h GLN 95 Ca -0.00 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 3bza h GLN 95 Cb 0.89 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 3bza h GLN 95 CO 0.06 0.65 0.11 1.49 -0.67 0.00 0.00 178.83 180.48 3bza h GLU 96 N 0.70 0.64 0.00 1.46 4.81 -0.70 -1.60 114.58 119.89 3bza h GLU 96 Ca 0.18 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3bza h GLU 96 Cb 0.16 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3bza h GLU 96 CO -0.02 0.58 0.00 1.28 -0.73 0.00 0.00 179.01 180.12 3bza n LEU 97 N -4.32 0.00 0.00 1.64 4.77 -0.79 -4.88 117.00 113.43 3bza n LEU 97 Ca 0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3bza n LEU 97 Cb 0.19 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3bza n LEU 97 CO 0.38 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3bza n GLY 98 N 0.24 0.41 3.87 -0.72 0.00 -0.60 -5.01 105.19 103.38 3bza n GLY 98 Ca 0.08 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 3bza n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bza s ARG 100 N -2.57 4.36 0.15 0.00 3.52 -1.26 -4.50 118.95 118.65 3bza s ARG 100 Ca 0.44 1.97 0.08 0.00 -0.13 0.00 0.00 55.73 58.09 3bza s ARG 100 Cb -0.12 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 3bza s ARG 100 CO 0.21 -0.38 -0.18 0.95 -0.81 0.00 0.00 175.30 175.08 3bza s THR 101 N 1.15 1.70 -0.04 4.11 -4.23 -1.26 -1.38 115.64 115.69 3bza s THR 101 Ca 0.63 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 3bza s THR 101 Cb -0.34 -1.73 0.03 0.00 1.34 0.00 0.00 72.50 71.80 3bza s THR 101 CO 0.30 -0.30 0.06 -0.70 -0.54 0.00 0.00 174.62 173.44 3bza s GLU 102 N -2.63 -0.06 -0.20 3.99 2.12 0.37 -4.99 118.70 117.30 3bza s GLU 102 Ca 0.13 0.33 -0.04 0.00 0.36 0.00 0.00 54.97 55.75 3bza s GLU 102 Cb -0.06 -0.42 -0.02 0.00 0.26 0.00 0.00 34.13 33.89 3bza s GLU 102 CO 0.05 -0.28 -0.03 0.50 -0.54 0.00 0.00 175.26 174.97 3bza s ARG 103 N 1.86 3.52 -0.22 4.30 6.06 -1.26 -1.18 118.95 132.02 3bza s ARG 103 Ca 0.01 -0.57 0.02 0.00 -2.50 0.00 0.00 55.73 52.69 3bza s ARG 103 Cb -0.12 -3.01 0.05 0.00 0.06 0.00 0.00 34.95 31.92 3bza s ARG 103 CO -0.03 -0.03 -0.11 1.03 -2.50 0.00 0.00 175.30 173.66 3bza s ARG 104 N 1.07 2.15 0.57 5.12 0.52 -0.11 -5.00 118.95 123.27 3bza s ARG 104 Ca 0.02 -1.04 0.38 0.00 -0.52 0.00 0.00 55.73 54.56 3bza s ARG 104 Cb -0.15 -2.62 1.89 0.00 0.52 0.00 0.00 34.95 34.59 3bza s ARG 104 CO 0.01 -0.48 2.14 0.87 0.02 0.00 0.00 175.30 177.86 3bza h LYS 105 N 7.90 0.00 -0.09 3.54 1.79 -1.90 -1.47 116.57 126.34 3bza h LYS 105 Ca -0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 3bza h LYS 105 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 3bza h LYS 105 CO 0.48 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.60 3bza n ASP 106 N -2.93 2.07 0.00 0.86 8.00 -1.26 -2.55 116.55 120.74 3bza n ASP 106 Ca -0.01 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.69 3bza n ASP 106 Cb 0.14 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3bza n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bza n GLY 107 N -0.07 0.46 0.08 0.44 0.00 -0.75 -4.60 105.19 100.75 3bza n GLY 107 Ca 0.03 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 3bza n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bza n PHE 108 N 0.62 0.36 -4.16 1.61 3.72 -1.26 -4.90 117.46 113.44 3bza n PHE 108 Ca 0.00 0.12 -0.10 0.00 -0.05 0.00 0.00 57.45 57.42 3bza n PHE 108 Cb 0.00 -0.91 -0.10 0.00 -0.94 0.00 0.00 39.48 37.53 3bza n PHE 108 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3bza s VAL 109 N -2.89 0.67 0.50 -4.37 -7.23 -1.26 -5.13 120.40 100.68 3bza s VAL 109 Ca -0.07 -1.93 -0.23 0.00 -1.81 0.00 0.00 61.98 57.94 3bza s VAL 109 Cb 0.09 -1.67 -0.06 0.00 0.56 0.00 0.00 36.38 35.29 3bza s VAL 109 CO 0.84 -0.88 1.36 -0.54 -0.31 0.00 0.00 175.10 175.58 3bza s LYS 110 N -3.83 3.44 0.00 4.82 1.02 -1.26 -2.87 119.74 121.05 3bza s LYS 110 Ca 0.11 2.25 0.00 0.00 0.02 0.00 0.00 55.97 58.36 3bza s LYS 110 Cb 0.05 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 3bza s LYS 110 CO -0.05 -0.96 0.00 0.41 -0.92 0.00 0.00 175.35 173.83 3bza n GLY 111 N 0.65 1.12 3.32 -3.33 0.00 -1.26 -4.98 105.19 100.71 3bza n GLY 111 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3bza n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bza s ILE 112 N -3.01 2.13 0.00 -0.61 -1.09 -1.14 -1.18 121.20 116.30 3bza s ILE 112 Ca 0.00 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.34 3bza s ILE 112 Cb 0.00 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 39.14 3bza s ILE 112 CO 0.00 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 3bza n GLY 113 N 2.46 1.68 3.68 6.18 0.00 -0.21 -4.09 105.19 114.89 3bza n GLY 113 Ca -0.16 -1.57 -0.59 0.00 0.00 0.00 0.00 46.02 43.71 3bza n GLY 113 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bza n ASP 114 N 0.00 1.85 -3.81 1.61 2.03 -1.06 -2.71 116.55 114.47 3bza n ASP 114 Ca 0.00 1.11 -0.12 0.00 0.52 0.00 0.00 54.79 56.30 3bza n ASP 114 Cb 0.00 -1.08 -0.10 0.00 -0.72 0.00 0.00 41.12 39.22 3bza n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bza s ALA 115 N 2.62 -0.57 -0.12 -1.67 0.00 -0.63 -3.96 121.76 117.43 3bza s ALA 115 Ca 0.97 0.22 0.03 0.00 0.00 0.00 0.00 51.96 53.18 3bza s ALA 115 Cb -1.14 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 21.97 3bza s ALA 115 CO 0.65 -0.21 -0.23 -1.17 0.00 0.00 0.00 175.76 174.80 3bza s LEU 116 N -1.07 2.12 0.05 0.00 2.96 -0.57 -0.94 118.68 121.24 3bza s LEU 116 Ca -0.11 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.26 3bza s LEU 116 Cb -0.06 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 3bza s LEU 116 CO 0.02 0.13 -0.02 -0.13 -1.32 0.00 0.00 176.35 175.03 3bza s ARG 117 N 0.54 2.59 0.02 1.98 0.52 -0.33 -1.00 118.95 123.27 3bza s ARG 117 Ca -0.14 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.30 3bza s ARG 117 Cb -0.17 -2.56 -0.02 0.00 0.52 0.00 0.00 34.95 32.73 3bza s ARG 117 CO 0.04 0.57 -0.01 0.14 0.02 0.00 0.00 175.30 176.07 3bza s VAL 118 N -1.20 0.10 -0.58 3.52 -7.23 -0.17 -0.48 120.40 114.36 3bza s VAL 118 Ca 0.22 -0.81 -0.21 0.00 -1.81 0.00 0.00 61.98 59.38 3bza s VAL 118 Cb -0.12 -0.26 0.07 0.00 0.56 0.00 0.00 36.38 36.64 3bza s VAL 118 CO 0.14 -0.44 0.78 -1.61 -0.31 0.00 0.00 175.10 173.66 3bza s GLU 119 N -1.32 3.13 0.98 4.82 2.02 -0.48 -2.08 118.70 125.76 3bza s GLU 119 Ca -0.14 -0.91 -0.13 0.00 0.02 0.00 0.00 54.97 53.80 3bza s GLU 119 Cb -0.09 -4.17 0.18 0.00 0.10 0.00 0.00 34.13 30.15 3bza s GLU 119 CO -0.01 -1.51 1.13 0.16 0.02 0.00 0.00 175.26 175.06 3bza s ASP 120 N 3.24 2.85 0.65 -0.19 -4.77 -0.23 -4.15 116.67 114.07 3bza s ASP 120 Ca 0.18 0.93 0.36 0.00 -3.30 0.00 0.00 52.55 50.72 3bza s ASP 120 Cb -0.19 -1.46 1.95 0.00 -1.09 0.00 0.00 42.92 42.13 3bza s ASP 120 CO 0.11 -2.96 2.10 -0.65 0.70 0.00 0.00 175.17 174.47 3bza h PRO 121 N -1.78 0.00 -0.52 2.11 0.11 -1.95 0.12 132.00 130.09 3bza h PRO 121 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3bza h PRO 121 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3bza h PRO 121 CO 0.56 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.63 3bza n LEU 122 N -2.94 3.59 0.00 2.35 4.77 -1.26 -4.95 117.00 118.57 3bza n LEU 122 Ca -0.02 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 3bza n LEU 122 Cb 0.24 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3bza n LEU 122 CO 0.16 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3bza n GLY 123 N 1.46 0.73 3.86 -0.72 0.00 0.41 -4.22 105.19 106.70 3bza n GLY 123 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3bza n GLY 123 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bza s PHE 124 N -2.19 3.65 -0.90 1.61 0.08 -1.26 -4.70 117.98 114.28 3bza s PHE 124 Ca 0.00 0.84 -0.24 0.00 0.12 0.00 0.00 56.93 57.65 3bza s PHE 124 Cb 0.00 -2.18 0.05 0.00 -0.57 0.00 0.00 43.02 40.32 3bza s PHE 124 CO 0.00 0.61 1.33 -1.25 -0.10 0.00 0.00 175.22 175.80 3bza s PRO 125 N -1.43 3.43 0.08 0.24 0.04 -1.26 -1.07 135.00 135.04 3bza s PRO 125 Ca 0.27 -0.91 -0.18 0.00 0.04 0.00 0.00 61.00 60.21 3bza s PRO 125 Cb -0.15 -4.87 -0.07 0.00 0.04 0.00 0.00 34.50 29.45 3bza s PRO 125 CO 0.14 -2.11 0.56 0.71 0.04 0.00 0.00 177.00 176.34 3bza s TYR 126 N 4.88 3.77 -0.01 0.56 1.51 -0.89 -0.62 117.35 126.56 3bza s TYR 126 Ca 0.39 1.23 0.06 0.00 -1.01 0.00 0.00 57.07 57.74 3bza s TYR 126 Cb -0.04 -2.47 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 3bza s TYR 126 CO -0.01 0.57 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.82 3bza s GLU 127 N -1.24 2.28 -0.09 -0.62 2.12 -0.00 -1.00 118.70 120.14 3bza s GLU 127 Ca 0.30 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 54.82 3bza s GLU 127 Cb -0.19 -2.26 0.01 0.00 0.26 0.00 0.00 34.13 31.95 3bza s GLU 127 CO 0.19 0.58 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.26 3bza s PHE 128 N -0.80 2.03 0.06 5.30 0.08 -0.17 -0.14 117.98 124.34 3bza s PHE 128 Ca 0.13 -0.86 -0.13 0.00 0.12 0.00 0.00 56.93 56.19 3bza s PHE 128 Cb -0.10 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 40.94 3bza s PHE 128 CO 0.02 -0.40 0.28 -0.59 -0.10 0.00 0.00 175.22 174.43 3bza s PHE 129 N 0.68 -0.05 -0.08 0.36 -0.71 -1.09 -1.52 117.98 115.58 3bza s PHE 129 Ca -0.13 -0.19 -0.07 0.00 -1.04 0.00 0.00 56.93 55.50 3bza s PHE 129 Cb -0.16 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 3bza s PHE 129 CO 0.03 -0.53 -0.16 0.34 -1.34 0.00 0.00 175.22 173.56 3bza n PHE 130 N 0.33 0.00 -1.88 3.49 7.35 -1.25 -0.62 117.46 124.88 3bza n PHE 130 Ca -0.17 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.09 3bza n PHE 130 Cb 0.61 -0.34 -0.03 0.00 0.35 0.00 0.00 39.48 40.07 3bza n PHE 130 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3bza s GLU 131 N -2.33 4.18 -0.07 -4.13 2.02 -1.26 -4.90 118.70 112.21 3bza s GLU 131 Ca -0.16 2.40 -0.16 0.00 0.02 0.00 0.00 54.97 57.08 3bza s GLU 131 Cb 0.04 -3.51 0.03 0.00 0.10 0.00 0.00 34.13 30.80 3bza s GLU 131 CO 0.21 -0.74 0.37 -0.08 0.02 0.00 0.00 175.26 175.05 3bza s THR 132 N 2.37 0.03 -0.07 3.63 -1.32 -1.26 -1.05 115.64 117.97 3bza s THR 132 Ca 0.75 -0.24 -0.30 0.00 -1.21 0.00 0.00 61.69 60.69 3bza s THR 132 Cb -0.42 -0.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 3bza s THR 132 CO 0.33 -0.13 1.39 -0.89 -2.21 0.00 0.00 174.62 173.11 3bza s THR 133 N -0.70 3.91 0.43 5.08 2.01 -0.33 -4.86 115.64 121.19 3bza s THR 133 Ca -0.08 1.20 -0.23 0.00 0.31 0.00 0.00 61.69 62.89 3bza s THR 133 Cb -0.04 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 3bza s THR 133 CO 0.03 -0.06 1.06 -1.00 -0.69 0.00 0.00 174.62 173.97 3bza s HIS 134 N 3.07 3.13 0.37 4.92 3.76 -1.26 -1.65 115.29 127.62 3bza s HIS 134 Ca 0.62 1.61 0.04 0.00 -0.15 0.00 0.00 55.06 57.18 3bza s HIS 134 Cb -0.28 -3.14 -0.03 0.00 1.11 0.00 0.00 32.58 30.24 3bza s HIS 134 CO 0.23 -0.81 0.15 0.14 -0.85 0.00 0.00 174.74 173.61 3bza s VAL 135 N -1.74 0.48 -0.05 -0.90 -7.23 -0.38 -4.90 120.40 105.68 3bza s VAL 135 Ca 0.61 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 3bza s VAL 135 Cb -0.21 -2.44 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 3bza s VAL 135 CO 0.26 0.00 1.80 -0.70 -0.31 0.00 0.00 175.10 176.15 3bza s GLU 136 N -3.72 4.05 -0.25 4.82 2.12 -1.26 -4.78 118.70 119.69 3bza s GLU 136 Ca 0.30 2.27 -0.29 0.00 0.36 0.00 0.00 54.97 57.61 3bza s GLU 136 Cb 0.04 -4.08 -0.00 0.00 0.26 0.00 0.00 34.13 30.34 3bza s GLU 136 CO 0.17 -1.02 1.24 0.50 -0.54 0.00 0.00 175.26 175.62 3bza s ARG 137 N 4.42 4.07 -0.09 4.30 3.52 -1.26 -4.87 118.95 129.04 3bza s ARG 137 Ca 0.80 1.39 0.08 0.00 -0.13 0.00 0.00 55.73 57.88 3bza s ARG 137 Cb -0.36 -3.80 0.40 0.00 -1.56 0.00 0.00 34.95 29.63 3bza s ARG 137 CO 0.34 -0.91 1.17 1.28 -0.81 0.00 0.00 175.30 176.38 3bza n LEU 138 N 7.07 3.08 0.29 -0.88 4.77 -1.06 -4.55 117.00 125.73 3bza n LEU 138 Ca 0.14 -1.56 0.19 0.00 -0.03 0.00 0.00 56.01 54.75 3bza n LEU 138 Cb 0.46 -0.51 0.95 0.00 -2.33 0.00 0.00 43.42 41.99 3bza n LEU 138 CO 0.59 0.46 1.07 1.12 -1.33 0.00 0.00 177.39 179.30 3bza h HIS 139 N 2.08 0.00 -0.14 -1.77 2.07 -1.75 0.70 115.15 116.34 3bza h HIS 139 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3bza h HIS 139 Cb 1.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.06 3bza h HIS 139 CO 0.49 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 174.02 3bza n MET 140 N -2.94 2.43 -2.03 5.12 2.81 -1.26 -4.83 117.12 116.42 3bza n MET 140 Ca -0.01 -2.31 -0.41 0.00 -1.81 0.00 0.00 57.70 53.15 3bza n MET 140 Cb 0.15 -1.44 -0.00 0.00 -0.71 0.00 0.00 33.22 31.21 3bza n MET 140 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3bza n ARG 141 N -0.59 3.92 0.20 0.03 5.12 0.24 -4.70 116.66 120.87 3bza n ARG 141 Ca 0.13 -3.26 0.14 0.00 -1.93 0.00 0.00 57.85 52.93 3bza n ARG 141 Cb 0.58 -2.84 0.67 0.00 -1.16 0.00 0.00 32.46 29.72 3bza n ARG 141 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3bza h TYR 142 N 5.25 0.00 0.00 -1.55 0.05 -1.88 0.41 116.97 119.25 3bza h TYR 142 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.36 3bza h TYR 142 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3bza h TYR 142 CO 1.48 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 178.19 3bza n ASP 143 N -2.52 0.59 -0.25 3.88 5.75 -1.26 -2.87 116.55 119.86 3bza n ASP 143 Ca -0.00 0.67 0.04 0.00 -0.01 0.00 0.00 54.79 55.49 3bza n ASP 143 Cb 0.16 -0.78 0.01 0.00 -1.03 0.00 0.00 41.12 39.48 3bza n ASP 143 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3bza n LEU 144 N -2.18 1.35 -4.69 -2.12 4.77 0.12 -5.03 117.00 109.21 3bza n LEU 144 Ca 0.02 -0.86 -0.42 0.00 -0.03 0.00 0.00 56.01 54.72 3bza n LEU 144 Cb 0.19 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3bza n LEU 144 CO 0.17 0.27 1.02 -0.47 -1.33 0.00 0.00 177.39 177.05 3bza s TYR 145 N -1.03 3.08 0.30 -1.77 5.04 -1.14 -5.01 117.35 116.82 3bza s TYR 145 Ca 0.08 1.04 -0.13 0.00 -2.44 0.00 0.00 57.07 55.63 3bza s TYR 145 Cb 0.07 -3.54 -0.08 0.00 0.35 0.00 0.00 41.96 38.76 3bza s TYR 145 CO 0.17 -1.84 0.68 0.45 -1.34 0.00 0.00 175.55 173.67 3bza s SER 146 N 1.59 6.71 0.65 4.32 0.15 -1.26 -4.97 113.70 120.89 3bza s SER 146 Ca 0.60 1.16 0.32 0.00 0.70 0.00 0.00 55.95 58.73 3bza s SER 146 Cb -0.29 -2.32 1.77 0.00 -1.71 0.00 0.00 66.02 63.47 3bza s SER 146 CO 0.25 -0.18 2.03 0.00 1.20 0.00 0.00 173.24 176.54 3bza h ALA 147 N 2.28 1.43 -0.10 5.45 0.00 -1.97 -1.58 119.26 124.77 3bza h ALA 147 Ca -0.48 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3bza h ALA 147 Cb 1.17 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3bza h ALA 147 CO 0.66 -0.31 -0.31 0.41 0.00 0.00 0.00 179.25 179.71 3bza n GLY 148 N -1.25 5.01 3.66 0.00 0.00 -1.26 -4.36 105.19 106.98 3bza n GLY 148 Ca -0.01 -1.26 -0.51 0.00 0.00 0.00 0.00 46.02 44.25 3bza n GLY 148 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bza n GLU 149 N -1.14 1.65 -3.02 1.61 4.07 -0.60 -4.89 120.64 118.32 3bza n GLU 149 Ca 0.22 0.60 -0.41 0.00 -0.06 0.00 0.00 57.16 57.51 3bza n GLU 149 Cb 0.78 -2.33 -0.06 0.00 -0.06 0.00 0.00 31.44 29.78 3bza n GLU 149 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3bza s LEU 150 N 1.96 4.08 -0.19 4.31 1.43 -1.26 -4.46 118.68 124.55 3bza s LEU 150 Ca 0.87 0.78 0.15 0.00 -1.03 0.00 0.00 54.13 54.90 3bza s LEU 150 Cb -0.85 -2.98 -0.22 0.00 0.03 0.00 0.00 46.19 42.17 3bza s LEU 150 CO 0.49 -0.46 0.03 1.33 0.23 0.00 0.00 176.35 177.98 3bza n VAL 151 N 5.28 1.29 -3.98 -1.59 0.24 0.83 -1.08 118.33 119.31 3bza n VAL 151 Ca 0.02 -0.76 -0.09 0.00 -2.04 0.00 0.00 64.34 61.47 3bza n VAL 151 Cb 0.48 -0.60 -0.10 0.00 -1.47 0.00 0.00 33.84 32.16 3bza n VAL 151 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3bza s ARG 152 N -2.45 0.58 -0.04 7.34 0.52 -1.24 -1.34 118.95 122.32 3bza s ARG 152 Ca -0.12 -0.89 -0.28 0.00 -0.52 0.00 0.00 55.73 53.92 3bza s ARG 152 Cb 0.06 0.22 -0.03 0.00 0.52 0.00 0.00 34.95 35.72 3bza s ARG 152 CO 0.74 -0.13 0.90 -1.17 0.02 0.00 0.00 175.30 175.65 3bza s LEU 153 N -2.34 4.33 -0.22 2.53 2.96 -1.26 -0.21 118.68 124.47 3bza s LEU 153 Ca -0.02 1.49 -0.09 0.00 -0.22 0.00 0.00 54.13 55.29 3bza s LEU 153 Cb 0.01 -3.41 -0.10 0.00 0.50 0.00 0.00 46.19 43.18 3bza s LEU 153 CO -0.06 -0.24 -0.27 -0.67 -1.32 0.00 0.00 176.35 173.78 3bza n ASP 154 N 4.04 1.70 -3.64 3.68 2.03 0.37 -4.86 116.55 119.86 3bza n ASP 154 Ca 0.04 0.21 -0.05 0.00 0.52 0.00 0.00 54.79 55.51 3bza n ASP 154 Cb 0.51 -0.60 -0.01 0.00 -0.72 0.00 0.00 41.12 40.30 3bza n ASP 154 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3bza s HIS 155 N -2.41 -0.09 0.30 -0.67 -3.43 -1.11 -4.49 115.29 103.38 3bza s HIS 155 Ca -0.31 -0.32 0.09 0.00 -0.80 0.00 0.00 55.06 53.73 3bza s HIS 155 Cb 0.11 0.69 -0.04 0.00 -1.43 0.00 0.00 32.58 31.91 3bza s HIS 155 CO 0.41 -1.06 0.04 -0.06 -2.00 0.00 0.00 174.74 172.07 3bza s PHE 156 N -3.23 2.69 -0.04 0.38 0.08 -0.60 -0.84 117.98 116.42 3bza s PHE 156 Ca 0.13 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 3bza s PHE 156 Cb -0.03 -1.37 0.03 0.00 -0.57 0.00 0.00 43.02 41.08 3bza s PHE 156 CO 0.05 0.52 0.02 1.21 -0.10 0.00 0.00 175.22 176.92 3bza s ASN 157 N -3.73 0.80 -0.08 1.36 3.84 -0.30 -2.38 114.94 114.45 3bza s ASN 157 Ca 0.34 -0.00 0.00 0.00 0.21 0.00 0.00 52.86 53.41 3bza s ASN 157 Cb -0.04 -0.23 -0.03 0.00 -0.55 0.00 0.00 41.25 40.40 3bza s ASN 157 CO 0.21 -0.16 -0.07 -1.10 -2.79 0.00 0.00 177.10 173.19 3bza s GLN 158 N 1.51 2.84 -0.23 0.43 -0.21 0.36 0.22 119.66 124.59 3bza s GLN 158 Ca -0.03 -0.54 -0.15 0.00 0.02 0.00 0.00 55.36 54.66 3bza s GLN 158 Cb -0.13 -2.62 -0.04 0.00 1.00 0.00 0.00 33.01 31.22 3bza s GLN 158 CO -0.03 0.62 0.36 0.08 -2.12 0.00 0.00 175.29 174.20 3bza s VAL 159 N -0.69 5.21 -0.01 1.09 1.01 0.12 -0.20 120.40 126.92 3bza s VAL 159 Ca 0.11 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 3bza s VAL 159 Cb -0.11 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 3bza s VAL 159 CO 0.02 0.24 0.05 0.28 0.00 0.00 0.00 175.10 175.69 3bza s THR 160 N 1.49 0.04 0.32 3.92 -1.32 -0.56 -2.68 115.64 116.85 3bza s THR 160 Ca 0.16 -0.37 0.09 0.00 -1.21 0.00 0.00 61.69 60.36 3bza s THR 160 Cb -0.15 -0.20 0.05 0.00 -1.51 0.00 0.00 72.50 70.69 3bza s THR 160 CO 0.08 -0.20 1.73 1.55 -2.21 0.00 0.00 174.62 175.57 3bza h PRO 161 N 5.35 0.13 -4.65 7.08 0.13 -1.45 -2.08 132.00 136.50 3bza h PRO 161 Ca -0.28 -0.06 -0.67 0.00 -0.87 0.00 0.00 66.00 64.13 3bza h PRO 161 Cb 1.20 -0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 3bza h PRO 161 CO 0.44 0.53 -0.69 0.34 -0.23 0.00 0.00 178.00 178.39 3bza s ASP 162 N -6.89 4.86 0.05 1.44 -1.08 -1.26 -4.58 116.67 109.21 3bza s ASP 162 Ca -0.03 -2.13 -0.18 0.00 -0.52 0.00 0.00 52.55 49.68 3bza s ASP 162 Cb 0.14 -1.67 -0.14 0.00 -1.46 0.00 0.00 42.92 39.79 3bza s ASP 162 CO 0.75 -0.41 1.32 0.58 0.52 0.00 0.00 175.17 177.94 3bza h VAL 163 N 6.57 1.35 -0.94 1.11 2.07 -1.83 -2.73 116.25 121.84 3bza h VAL 163 Ca -0.06 -1.52 0.06 0.00 0.82 0.00 0.00 66.70 66.01 3bza h VAL 163 Cb 1.03 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 3bza h VAL 163 CO 0.55 0.46 0.61 -0.65 0.02 0.00 0.00 177.57 178.56 3bza h PRO 164 N 0.13 1.06 -0.34 1.57 0.11 -1.94 0.11 132.00 132.71 3bza h PRO 164 Ca 0.01 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3bza h PRO 164 Cb 0.87 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 3bza h PRO 164 CO 0.06 0.70 0.17 -0.09 -0.21 0.00 0.00 178.00 178.64 3bza h ARG 165 N 1.09 0.48 -0.62 1.05 2.43 -1.97 -2.04 114.38 114.79 3bza h ARG 165 Ca 0.40 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.41 3bza h ARG 165 Cb 0.17 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3bza h ARG 165 CO -0.15 0.42 0.02 0.78 -1.51 0.00 0.00 179.97 179.53 3bza h GLY 166 N 0.42 1.17 0.80 2.80 0.00 -1.16 -2.98 103.07 104.11 3bza h GLY 166 Ca 0.12 -0.85 0.03 0.00 0.00 0.00 0.00 47.33 46.63 3bza h GLY 166 CO -0.02 0.78 0.21 -0.09 0.00 0.00 0.00 176.54 177.42 3bza h ARG 167 N 1.00 0.41 -0.54 4.80 2.43 -0.57 -0.44 114.38 121.46 3bza h ARG 167 Ca 0.18 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3bza h ARG 167 Cb 0.54 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3bza h ARG 167 CO 0.03 0.27 0.26 -0.22 -1.51 0.00 0.00 179.97 178.80 3bza h LYS 168 N 0.42 0.79 -0.47 0.20 3.64 -1.36 0.13 116.57 119.93 3bza h LYS 168 Ca 0.18 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3bza h LYS 168 Cb 0.08 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3bza h LYS 168 CO -0.12 0.65 0.31 -0.92 -2.27 0.00 0.00 179.45 177.10 3bza h TYR 169 N 0.73 0.59 -0.14 1.91 3.20 -1.32 -1.11 116.97 120.83 3bza h TYR 169 Ca 0.19 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.94 3bza h TYR 169 Cb 0.13 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3bza h TYR 169 CO -0.00 0.38 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.35 3bza h LEU 170 N 0.64 0.40 -0.65 2.82 3.38 -0.56 -2.42 115.31 118.92 3bza h LEU 170 Ca 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3bza h LEU 170 Cb -0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3bza h LEU 170 CO -0.04 0.81 0.30 -0.33 0.09 0.00 0.00 178.44 179.27 3bza h GLU 171 N 0.30 0.95 -0.20 1.13 5.08 -0.47 -1.02 114.58 120.34 3bza h GLU 171 Ca 0.02 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 3bza h GLU 171 Cb 0.94 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3bza h GLU 171 CO 0.08 0.77 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.41 3bza h ASP 172 N 0.91 0.27 0.64 1.42 3.32 -1.05 -0.52 116.42 121.41 3bza h ASP 172 Ca 0.22 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3bza h ASP 172 Cb 0.14 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3bza h ASP 172 CO -0.03 0.33 0.00 -0.11 -1.72 0.00 0.00 179.24 177.71 3bza n LEU 173 N -4.36 0.00 0.00 1.55 7.94 -0.92 -4.82 117.00 116.38 3bza n LEU 173 Ca -0.00 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 3bza n LEU 173 Cb 0.19 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 43.73 3bza n LEU 173 CO 0.37 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.17 3bza n GLY 174 N 0.80 0.84 3.76 -3.96 0.00 -0.20 -4.78 105.19 101.64 3bza n GLY 174 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3bza n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bza s PHE 175 N -2.00 3.43 -0.20 1.61 0.08 -0.43 -4.84 117.98 115.63 3bza s PHE 175 Ca 0.00 1.63 -0.03 0.00 0.12 0.00 0.00 56.93 58.65 3bza s PHE 175 Cb 0.00 -3.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.07 3bza s PHE 175 CO 0.00 -0.87 -0.05 1.03 -0.10 0.00 0.00 175.22 175.23 3bza s ARG 176 N -1.61 3.44 0.12 0.44 0.52 -0.42 -4.00 118.95 117.46 3bza s ARG 176 Ca 0.47 -0.61 -0.31 0.00 -0.52 0.00 0.00 55.73 54.76 3bza s ARG 176 Cb -0.33 -2.95 -0.08 0.00 0.52 0.00 0.00 34.95 32.11 3bza s ARG 176 CO 0.43 -0.05 1.45 0.08 0.02 0.00 0.00 175.30 177.22 3bza s VAL 177 N 1.11 3.13 -0.16 3.52 1.01 -1.26 -1.36 120.40 126.38 3bza s VAL 177 Ca 0.01 0.79 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 3bza s VAL 177 Cb -0.15 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 3bza s VAL 177 CO -0.00 0.06 -0.16 0.35 0.00 0.00 0.00 175.10 175.34 3bza n THR 178 N 4.02 0.93 -3.96 3.92 -2.24 -0.43 -4.75 114.28 111.77 3bza n THR 178 Ca 0.12 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 3bza n THR 178 Cb 0.41 -1.26 -0.09 0.00 -2.10 0.00 0.00 70.33 67.30 3bza n THR 178 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bza s GLU 179 N -2.32 0.64 0.25 -0.78 2.02 -1.24 -1.45 118.70 115.82 3bza s GLU 179 Ca -0.22 -0.94 -0.16 0.00 0.02 0.00 0.00 54.97 53.66 3bza s GLU 179 Cb 0.07 0.25 0.01 0.00 0.10 0.00 0.00 34.13 34.55 3bza s GLU 179 CO 0.35 -0.16 0.55 0.16 0.02 0.00 0.00 175.26 176.18 3bza s ASP 180 N -2.53 -0.16 -0.11 -0.19 1.47 -0.15 -1.10 116.67 113.90 3bza s ASP 180 Ca 0.01 -0.78 0.02 0.00 1.18 0.00 0.00 52.55 52.98 3bza s ASP 180 Cb 0.03 0.63 0.01 0.00 -0.34 0.00 0.00 42.92 43.25 3bza s ASP 180 CO -0.08 -1.19 -0.16 -0.63 0.68 0.00 0.00 175.17 173.80 3bza s ILE 181 N -3.97 1.55 0.22 2.11 1.01 -0.65 -1.28 121.20 120.20 3bza s ILE 181 Ca 0.17 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 3bza s ILE 181 Cb -0.02 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3bza s ILE 181 CO 0.07 0.45 0.18 -1.10 0.00 0.00 0.00 174.94 174.53 3bza s GLN 182 N 0.99 1.30 0.38 2.79 -0.21 -0.36 -0.51 119.66 124.04 3bza s GLN 182 Ca -0.06 -1.66 0.04 0.00 0.02 0.00 0.00 55.36 53.70 3bza s GLN 182 Cb -0.15 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.10 3bza s GLN 182 CO -0.02 -0.45 0.06 0.16 -2.12 0.00 0.00 175.29 172.93 3bza s ASP 183 N -3.18 2.85 0.53 5.90 1.47 -0.85 -0.62 116.67 122.77 3bza s ASP 183 Ca 0.38 -1.48 0.30 0.00 1.18 0.00 0.00 52.55 52.93 3bza s ASP 183 Cb 0.06 0.10 1.41 0.00 -0.34 0.00 0.00 42.92 44.14 3bza s ASP 183 CO 0.14 -0.70 2.02 0.44 0.68 0.00 0.00 175.17 177.75 3bza h ASP 184 N 1.90 0.00 0.45 2.11 3.32 -1.99 -0.55 116.42 121.66 3bza h ASP 184 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3bza h ASP 184 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3bza h ASP 184 CO 0.68 0.10 0.00 -0.62 -1.72 0.00 0.00 179.24 177.69 3bza n GLU 185 N -3.38 0.53 -0.43 3.56 4.71 -1.26 -4.93 120.64 119.44 3bza n GLU 185 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3bza n GLU 185 Cb 0.28 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 3bza n GLU 185 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3bza n GLY 186 N 1.18 0.77 3.75 0.62 0.00 -0.21 -5.06 105.19 106.23 3bza n GLY 186 Ca 0.16 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3bza n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bza s THR 187 N -2.00 4.39 -0.18 2.61 2.01 -1.26 -4.90 115.64 116.31 3bza s THR 187 Ca 0.00 1.87 -0.07 0.00 0.31 0.00 0.00 61.69 63.80 3bza s THR 187 Cb 0.00 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 3bza s THR 187 CO 0.00 0.44 0.06 -0.89 -0.69 0.00 0.00 174.62 173.54 3bza s THR 188 N -0.70 4.80 -0.12 -0.82 2.01 -1.26 -2.01 115.64 117.54 3bza s THR 188 Ca 0.40 -0.03 0.18 0.00 0.31 0.00 0.00 61.69 62.55 3bza s THR 188 Cb -0.23 -3.16 -0.26 0.00 0.01 0.00 0.00 72.50 68.86 3bza s THR 188 CO 0.28 0.47 0.22 -1.22 -0.69 0.00 0.00 174.62 173.67 3bza n TYR 189 N 3.49 0.00 -3.58 4.92 4.01 0.34 -4.65 117.16 121.68 3bza n TYR 189 Ca -0.17 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.47 3bza n TYR 189 Cb 0.52 -0.73 -0.05 0.00 -0.31 0.00 0.00 39.34 38.77 3bza n TYR 189 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bza s ALA 190 N -2.83 -1.93 -0.00 -0.72 0.00 -1.22 -0.46 121.76 114.59 3bza s ALA 190 Ca -0.08 1.58 -0.07 0.00 0.00 0.00 0.00 51.96 53.39 3bza s ALA 190 Cb 0.08 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3bza s ALA 190 CO 0.79 -0.31 0.13 0.00 0.00 0.00 0.00 175.76 176.37 3bza s ALA 191 N -1.11 -0.32 -0.07 0.00 0.00 -0.41 -1.63 121.76 118.23 3bza s ALA 191 Ca -0.02 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 51.91 3bza s ALA 191 Cb -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 3bza s ALA 191 CO 0.02 -0.19 -0.23 -1.58 0.00 0.00 0.00 175.76 173.78 3bza s TRP 192 N -1.20 2.51 -0.03 0.00 0.51 -0.26 -0.50 118.94 119.97 3bza s TRP 192 Ca -0.13 -0.67 -0.09 0.00 -2.12 0.00 0.00 56.10 53.09 3bza s TRP 192 Cb -0.07 -1.63 0.01 0.00 -0.81 0.00 0.00 33.47 30.97 3bza s TRP 192 CO 0.01 -0.18 0.20 0.00 -0.51 0.00 0.00 176.95 176.47 3bza s MET 193 N -0.15 0.44 0.18 4.98 0.23 -0.77 -1.32 119.30 122.89 3bza s MET 193 Ca -0.03 -0.11 0.05 0.00 -1.03 0.00 0.00 55.69 54.57 3bza s MET 193 Cb -0.14 0.19 -0.05 0.00 -1.53 0.00 0.00 34.83 33.31 3bza s MET 193 CO 0.04 -0.10 -0.10 -3.38 -2.03 0.00 0.00 175.02 169.45 3bza s HIS 194 N -0.84 1.45 0.00 3.16 -3.43 -0.47 -1.08 115.29 114.09 3bza s HIS 194 Ca -0.09 -0.71 0.00 0.00 -0.80 0.00 0.00 55.06 53.46 3bza s HIS 194 Cb -0.05 -0.73 0.00 0.00 -1.43 0.00 0.00 32.58 30.37 3bza s HIS 194 CO 0.02 0.17 0.00 0.54 -2.00 0.00 0.00 174.74 173.46 3bza n ARG 195 N -0.29 0.47 0.00 -0.38 5.12 -1.26 -1.30 116.66 119.03 3bza n ARG 195 Ca -0.09 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 55.98 3bza n ARG 195 Cb 0.61 -0.95 0.64 0.00 -1.16 0.00 0.00 32.46 31.60 3bza n ARG 195 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3bza n LYS 196 N -2.34 1.03 -0.09 5.56 2.85 -1.23 -4.92 118.16 119.02 3bza n LYS 196 Ca 0.00 -0.40 0.00 0.00 -1.05 0.00 0.00 58.31 56.86 3bza n LYS 196 Cb 0.45 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 3bza n LYS 196 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bza n GLY 197 N 1.20 0.95 2.66 2.58 0.00 -1.26 -4.94 105.19 106.37 3bza n GLY 197 Ca 0.18 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 3bza n GLY 197 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bza n THR 198 N -2.09 0.00 -0.13 2.61 -2.24 -1.26 -1.13 114.28 110.03 3bza n THR 198 Ca 0.00 -1.41 0.02 0.00 -2.27 0.00 0.00 64.05 60.39 3bza n THR 198 Cb 0.00 -0.45 0.31 0.00 -2.10 0.00 0.00 70.33 68.10 3bza n THR 198 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3bza h VAL 199 N 0.31 1.16 -2.32 2.28 2.07 -1.95 -3.42 116.25 114.39 3bza h VAL 199 Ca -0.21 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3bza h VAL 199 Cb 0.87 0.26 -0.17 0.00 -1.52 0.00 0.00 31.29 30.73 3bza h VAL 199 CO 0.32 0.16 0.28 -1.38 0.02 0.00 0.00 177.57 176.97 3bza s HIS 200 N -5.70 -0.54 -0.11 1.57 0.00 -1.26 -4.11 115.29 105.14 3bza s HIS 200 Ca -0.10 0.67 0.09 0.00 -3.00 0.00 0.00 55.06 52.72 3bza s HIS 200 Cb 0.18 0.48 -0.13 0.00 -4.00 0.00 0.00 32.58 29.11 3bza s HIS 200 CO 0.76 -0.65 0.03 -0.25 -1.00 0.00 0.00 174.74 173.63 3bza n ASP 201 N 0.29 2.32 -4.06 7.38 8.00 -0.24 -4.55 116.55 125.69 3bza n ASP 201 Ca -0.16 -0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.22 3bza n ASP 201 Cb 0.60 0.70 -0.08 0.00 -0.02 0.00 0.00 41.12 42.32 3bza n ASP 201 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3bza s THR 202 N -2.27 0.00 0.08 -3.53 -1.32 -1.07 -1.56 115.64 105.98 3bza s THR 202 Ca -0.06 -1.80 -0.14 0.00 -1.21 0.00 0.00 61.69 58.48 3bza s THR 202 Cb 0.03 -2.41 0.02 0.00 -1.51 0.00 0.00 72.50 68.63 3bza s THR 202 CO 0.44 0.00 0.32 0.00 -2.21 0.00 0.00 174.62 173.17 3bza s ALA 203 N -4.04 -0.68 -0.11 11.08 0.00 -1.00 -1.84 121.76 125.16 3bza s ALA 203 Ca 0.34 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.17 3bza s ALA 203 Cb 0.04 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 3bza s ALA 203 CO 0.12 -0.52 -0.16 -0.51 0.00 0.00 0.00 175.76 174.69 3bza s LEU 204 N -2.51 2.54 -0.17 0.00 1.43 0.34 -0.49 118.68 119.82 3bza s LEU 204 Ca 0.00 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3bza s LEU 204 Cb 0.02 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.70 3bza s LEU 204 CO -0.08 0.18 -0.20 -0.89 0.23 0.00 0.00 176.35 175.59 3bza s THR 205 N 0.24 2.12 0.17 5.49 2.01 0.72 -1.28 115.64 125.10 3bza s THR 205 Ca -0.11 -0.94 -0.32 0.00 0.31 0.00 0.00 61.69 60.64 3bza s THR 205 Cb -0.16 -1.87 -0.10 0.00 0.01 0.00 0.00 72.50 70.37 3bza s THR 205 CO 0.06 0.54 1.59 -0.83 -0.69 0.00 0.00 174.62 175.29 3bza s GLY 206 N 1.12 1.52 0.00 4.40 0.00 0.39 -1.50 107.32 113.25 3bza s GLY 206 Ca 0.01 1.40 0.00 0.00 0.00 0.00 0.00 44.72 46.13 3bza s GLY 206 CO -0.08 2.66 0.00 0.61 0.00 0.00 0.00 173.10 176.29 3bza n GLY 207 N 3.76 -1.80 3.72 0.20 0.00 -0.78 -4.83 105.19 105.45 3bza n GLY 207 Ca 0.14 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 3bza n GLY 207 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bza s ASN 208 N -1.61 6.71 0.31 1.61 0.01 -1.26 -1.30 114.94 119.41 3bza s ASN 208 Ca 0.00 2.45 -0.16 0.00 -0.71 0.00 0.00 52.86 54.44 3bza s ASN 208 Cb 0.00 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.10 3bza s ASN 208 CO 0.00 -0.73 0.68 -0.83 -1.51 0.00 0.00 177.10 174.70 3bza s GLY 209 N 1.16 0.30 0.02 0.66 0.00 -0.77 -4.34 107.32 104.36 3bza s GLY 209 Ca 0.67 -0.66 -0.30 0.00 0.00 0.00 0.00 44.72 44.43 3bza s GLY 209 CO 0.31 -0.34 1.06 2.56 0.00 0.00 0.00 173.10 176.69 3bza s PRO 210 N -3.37 4.51 0.06 2.90 0.04 -1.26 -0.05 135.00 137.83 3bza s PRO 210 Ca 0.16 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.76 3bza s PRO 210 Cb -0.04 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 3bza s PRO 210 CO 0.10 -0.13 -0.05 1.03 0.04 0.00 0.00 177.00 177.98 3bza s ARG 211 N 1.06 0.61 -0.24 4.56 0.52 -1.09 -4.27 118.95 120.09 3bza s ARG 211 Ca 0.54 -1.03 -0.17 0.00 -0.52 0.00 0.00 55.73 54.55 3bza s ARG 211 Cb -0.24 -0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.14 3bza s ARG 211 CO 0.28 -0.03 0.47 -1.17 0.02 0.00 0.00 175.30 174.87 3bza s LEU 212 N -2.37 4.08 -0.08 2.53 2.96 0.22 -0.71 118.68 125.32 3bza s LEU 212 Ca 0.00 0.50 -0.22 0.00 -0.22 0.00 0.00 54.13 54.19 3bza s LEU 212 Cb -0.00 -2.60 -0.18 0.00 0.50 0.00 0.00 46.19 43.91 3bza s LEU 212 CO -0.04 -0.22 0.80 -0.74 -1.32 0.00 0.00 176.35 174.83 3bza h HIS 213 N 7.85 -0.08 -2.48 5.38 -0.00 -0.54 0.06 115.15 125.34 3bza h HIS 213 Ca -0.31 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.19 3bza h HIS 213 Cb 1.15 0.03 -0.09 0.00 -0.00 0.00 0.00 27.41 28.50 3bza h HIS 213 CO 0.73 0.49 0.43 -3.38 -0.00 0.00 0.00 177.93 176.20 3bza s HIS 214 N -2.94 -0.21 -0.07 5.26 -3.43 -0.99 -4.30 115.29 108.62 3bza s HIS 214 Ca -0.14 -0.08 0.04 0.00 -0.80 0.00 0.00 55.06 54.08 3bza s HIS 214 Cb -0.01 0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 31.75 3bza s HIS 214 CO 0.52 -0.84 -0.19 0.08 -2.00 0.00 0.00 174.74 172.31 3bza s VAL 215 N -3.39 2.61 -0.08 -5.38 1.01 -1.02 -1.15 120.40 112.99 3bza s VAL 215 Ca 0.10 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3bza s VAL 215 Cb -0.02 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3bza s VAL 215 CO -0.00 0.57 -0.17 0.00 0.00 0.00 0.00 175.10 175.49 3bza s ALA 216 N -0.30 2.48 0.10 5.51 0.00 -0.02 -1.31 121.76 128.22 3bza s ALA 216 Ca 0.01 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.08 3bza s ALA 216 Cb -0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 3bza s ALA 216 CO 0.03 0.39 -0.13 -0.06 0.00 0.00 0.00 175.76 175.99 3bza s PHE 217 N -0.10 2.68 0.31 0.00 0.08 -0.23 -0.48 117.98 120.24 3bza s PHE 217 Ca -0.03 -0.19 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 3bza s PHE 217 Cb -0.14 -1.42 -0.05 0.00 -0.57 0.00 0.00 43.02 40.84 3bza s PHE 217 CO 0.04 0.40 0.57 -1.12 -0.10 0.00 0.00 175.22 175.01 3bza s SER 218 N -2.10 6.41 0.39 1.36 0.01 0.71 -1.16 113.70 119.31 3bza s SER 218 Ca 0.20 0.69 0.08 0.00 1.31 0.00 0.00 55.95 58.23 3bza s SER 218 Cb -0.11 -2.13 -0.07 0.00 0.21 0.00 0.00 66.02 63.91 3bza s SER 218 CO 0.12 -0.24 -0.03 0.42 0.41 0.00 0.00 173.24 173.92 3bza s THR 219 N -2.18 2.09 0.01 1.44 -4.23 -0.75 -0.12 115.64 111.90 3bza s THR 219 Ca 0.44 -2.07 -0.25 0.00 -1.18 0.00 0.00 61.69 58.62 3bza s THR 219 Cb -0.10 -2.87 -0.19 0.00 1.34 0.00 0.00 72.50 70.68 3bza s THR 219 CO 0.32 -0.07 1.38 0.45 -0.54 0.00 0.00 174.62 176.16 3bza h HIS 220 N 1.86 0.01 -3.37 3.99 3.86 -1.91 -3.44 115.15 116.15 3bza h HIS 220 Ca -0.43 -0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.40 3bza h HIS 220 Cb 1.24 -0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.57 3bza h HIS 220 CO 0.74 0.38 -0.65 -1.21 0.86 0.00 0.00 177.93 178.06 3bza s GLU 221 N -4.70 1.34 0.27 2.45 2.02 -1.26 -4.82 118.70 113.99 3bza s GLU 221 Ca -0.15 -1.68 -0.00 0.00 0.02 0.00 0.00 54.97 53.15 3bza s GLU 221 Cb 0.03 -0.56 0.37 0.00 0.10 0.00 0.00 34.13 34.06 3bza s GLU 221 CO 0.67 -0.12 1.75 0.87 0.02 0.00 0.00 175.26 178.45 3bza h LYS 222 N 2.46 0.68 0.00 1.61 1.57 -1.97 -2.29 116.57 118.63 3bza h LYS 222 Ca -0.38 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.16 3bza h LYS 222 Cb 1.22 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 3bza h LYS 222 CO 0.64 0.76 -0.13 1.12 -0.57 0.00 0.00 179.45 181.28 3bza h HIS 223 N 0.62 0.00 -0.80 -1.35 2.07 -1.96 -1.44 115.15 112.29 3bza h HIS 223 Ca 0.11 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.62 3bza h HIS 223 Cb 0.53 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.47 3bza h HIS 223 CO 0.02 0.13 0.44 -0.91 -3.07 0.00 0.00 177.93 174.53 3bza h ASN 224 N 0.00 1.00 -0.30 3.10 4.21 -1.61 -0.73 115.58 121.25 3bza h ASN 224 Ca -0.00 -0.08 -0.16 0.00 1.21 0.00 0.00 56.30 57.27 3bza h ASN 224 Cb 0.26 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.21 3bza h ASN 224 CO 0.02 0.80 -0.42 0.40 -1.29 0.00 0.00 177.43 176.94 3bza h ILE 225 N 1.12 1.29 -0.97 2.81 2.04 -1.35 -2.72 117.51 119.73 3bza h ILE 225 Ca 0.28 -1.61 0.02 0.00 1.00 0.00 0.00 64.86 64.55 3bza h ILE 225 Cb 0.03 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 3bza h ILE 225 CO -0.05 0.52 0.64 0.40 0.00 0.00 0.00 178.15 179.67 3bza h ILE 226 N 0.58 1.23 -0.98 -0.67 2.04 -1.18 -2.26 117.51 116.27 3bza h ILE 226 Ca 0.03 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.46 3bza h ILE 226 Cb 1.02 -0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3bza h ILE 226 CO 0.10 0.24 0.65 -0.61 0.00 0.00 0.00 178.15 178.52 3bza h GLN 227 N 1.29 1.27 -0.52 2.37 5.75 -0.96 -0.25 115.11 124.07 3bza h GLN 227 Ca 0.36 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.83 3bza h GLN 227 Cb -0.12 -0.29 -0.05 0.00 1.07 0.00 0.00 27.48 28.10 3bza h GLN 227 CO -0.09 0.84 0.26 0.82 -2.65 0.00 0.00 178.83 178.02 3bza h ILE 228 N 1.31 0.95 -0.49 2.39 2.04 -1.10 0.16 117.51 122.76 3bza h ILE 228 Ca 0.36 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 3bza h ILE 228 Cb -0.13 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3bza h ILE 228 CO -0.08 0.09 0.29 0.00 0.00 0.00 0.00 178.15 178.45 3bza h ASP 230 N 0.66 0.95 -0.38 0.00 3.32 -0.46 -1.16 116.42 119.34 3bza h ASP 230 Ca 0.18 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3bza h ASP 230 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3bza h ASP 230 CO -0.03 0.80 0.13 0.50 -1.72 0.00 0.00 179.24 178.92 3bza h LYS 231 N 1.03 0.59 -0.44 3.56 3.64 -0.53 -1.19 116.57 123.23 3bza h LYS 231 Ca 0.26 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3bza h LYS 231 Cb 0.09 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3bza h LYS 231 CO -0.04 0.58 0.16 0.52 -2.27 0.00 0.00 179.45 178.40 3bza h MET 232 N 0.47 0.64 -0.19 1.90 2.86 -1.01 0.07 114.93 119.66 3bza h MET 232 Ca 0.12 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3bza h MET 232 Cb 0.23 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3bza h MET 232 CO -0.01 0.54 0.11 0.78 1.06 0.00 0.00 176.91 179.39 3bza h GLY 233 N 0.80 0.29 1.80 8.32 0.00 -0.85 0.63 103.07 114.06 3bza h GLY 233 Ca 0.15 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 3bza h GLY 233 CO -0.01 0.12 -0.17 0.00 0.00 0.00 0.00 176.54 176.48 3bza h ALA 234 N 1.00 1.43 -0.03 3.60 0.00 -0.54 -0.97 119.26 123.75 3bza h ALA 234 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3bza h ALA 234 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3bza h ALA 234 CO -0.01 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.92 3bza n LEU 235 N -4.23 0.59 -3.77 0.00 4.77 -0.05 -4.91 117.00 109.40 3bza n LEU 235 Ca -0.01 -0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 55.49 3bza n LEU 235 Cb 0.30 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 3bza n LEU 235 CO 0.39 0.11 0.07 0.54 -1.33 0.00 0.00 177.39 177.16 3bza n ARG 236 N -0.47 -5.73 -0.81 3.23 5.12 -0.37 -4.90 116.66 112.73 3bza n ARG 236 Ca 0.18 0.65 0.06 0.00 -1.93 0.00 0.00 57.85 56.81 3bza n ARG 236 Cb 0.18 -5.46 0.14 0.00 -1.16 0.00 0.00 32.46 26.16 3bza n ARG 236 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3bza n ILE 237 N -4.56 1.48 0.26 0.55 -5.35 0.14 -4.81 119.36 107.07 3bza n ILE 237 Ca -0.10 -2.42 0.16 0.00 -0.27 0.00 0.00 62.75 60.12 3bza n ILE 237 Cb 0.59 0.14 0.82 0.00 -1.74 0.00 0.00 39.64 39.45 3bza n ILE 237 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3bza h SER 238 N 0.89 0.00 0.57 7.28 4.64 -1.86 0.88 113.55 125.96 3bza h SER 238 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3bza h SER 238 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3bza h SER 238 CO 0.03 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.09 3bza n ASP 239 N -2.62 0.48 -0.56 4.97 5.75 -1.26 -1.76 116.55 121.56 3bza n ASP 239 Ca -0.01 0.63 0.13 0.00 -0.01 0.00 0.00 54.79 55.53 3bza n ASP 239 Cb 0.09 -0.73 0.36 0.00 -1.03 0.00 0.00 41.12 39.81 3bza n ASP 239 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bza n ARG 240 N -2.05 1.66 -2.72 0.11 5.12 0.30 -4.67 116.66 114.42 3bza n ARG 240 Ca 0.02 -1.12 -0.43 0.00 -1.93 0.00 0.00 57.85 54.39 3bza n ARG 240 Cb 0.19 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 29.98 3bza n ARG 240 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3bza s ILE 241 N -2.12 4.37 -0.11 0.55 1.01 -0.72 -0.91 121.20 123.27 3bza s ILE 241 Ca 0.32 1.05 -0.21 0.00 0.00 0.00 0.00 60.65 61.81 3bza s ILE 241 Cb 0.20 -4.50 -0.27 0.00 0.01 0.00 0.00 42.46 37.91 3bza s ILE 241 CO 0.37 -0.86 0.65 -0.08 0.00 0.00 0.00 174.94 175.02 3bza h GLU 242 N 9.02 0.18 -2.20 2.79 4.81 -1.27 -3.49 114.58 124.43 3bza h GLU 242 Ca -0.23 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 3bza h GLU 242 Cb 1.07 0.11 -0.22 0.00 0.63 0.00 0.00 28.75 30.34 3bza h GLU 242 CO 1.07 1.15 -0.03 0.50 -0.73 0.00 0.00 179.01 180.97 3bza s ARG 243 N -2.40 0.67 0.00 1.92 3.52 -1.01 -4.87 118.95 116.78 3bza s ARG 243 Ca -0.19 0.99 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 3bza s ARG 243 Cb 0.02 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 3bza s ARG 243 CO 0.75 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.53 3bza n GLY 244 N 3.54 -1.33 3.83 8.12 0.00 -1.26 -0.67 105.19 117.42 3bza n GLY 244 Ca -0.17 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.38 3bza n GLY 244 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bza s PRO 245 N -0.17 3.25 0.30 1.61 0.04 -1.26 -4.96 135.00 133.81 3bza s PRO 245 Ca 0.00 0.96 -0.05 0.00 0.04 0.00 0.00 61.00 61.95 3bza s PRO 245 Cb 0.00 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.53 3bza s PRO 245 CO 0.00 -0.85 0.48 0.41 0.04 0.00 0.00 177.00 177.08 3bza n GLY 246 N -1.93 1.94 3.52 0.56 0.00 -0.22 -4.98 105.19 104.08 3bza n GLY 246 Ca 0.07 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 3bza n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bza s ARG 247 N -2.49 3.71 0.45 1.61 6.06 -1.26 -0.88 118.95 126.15 3bza s ARG 247 Ca 0.21 -0.49 -0.21 0.00 -2.50 0.00 0.00 55.73 52.74 3bza s ARG 247 Cb -0.02 -2.96 -0.10 0.00 0.06 0.00 0.00 34.95 31.93 3bza s ARG 247 CO 0.15 0.26 0.99 -1.01 -2.50 0.00 0.00 175.30 173.19 3bza s HIS 248 N 0.34 3.19 0.00 5.12 3.76 0.41 0.21 115.29 128.31 3bza s HIS 248 Ca -0.03 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.49 3bza s HIS 248 Cb -0.14 -2.96 0.00 0.00 1.11 0.00 0.00 32.58 30.59 3bza s HIS 248 CO 0.02 -0.43 0.11 0.41 -0.85 0.00 0.00 174.74 174.00 3bza n GLY 249 N -0.37 0.07 3.67 -2.22 0.00 -1.01 -3.39 105.19 101.94 3bza n GLY 249 Ca 0.08 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.60 3bza n GLY 249 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3bza n VAL 250 N -1.31 0.32 0.00 1.61 0.31 0.10 -1.73 118.33 117.64 3bza n VAL 250 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3bza n VAL 250 Cb 0.00 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 3bza n VAL 250 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3bza n SER 251 N 5.15 0.00 0.00 4.52 3.41 -1.26 -4.52 113.62 120.91 3bza n SER 251 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3bza n SER 251 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3bza n SER 251 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3bza n ASN 252 N 0.24 -5.48 -4.79 4.04 5.15 -0.71 -4.38 115.26 109.34 3bza n ASN 252 Ca 0.00 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.62 3bza n ASN 252 Cb 0.00 -3.14 -0.06 0.00 -0.53 0.00 0.00 39.78 36.05 3bza n ASN 252 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bza s ALA 253 N -1.12 3.15 0.26 5.20 0.00 -1.26 -4.64 121.76 123.35 3bza s ALA 253 Ca 0.00 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.20 3bza s ALA 253 Cb 0.00 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 3bza s ALA 253 CO 0.00 0.09 0.97 0.12 0.00 0.00 0.00 175.76 176.93 3bza s PHE 254 N -1.73 3.89 0.17 0.00 5.36 -0.16 -0.44 117.98 125.06 3bza s PHE 254 Ca 0.54 1.87 -0.11 0.00 -0.96 0.00 0.00 56.93 58.27 3bza s PHE 254 Cb -0.18 -3.02 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 3bza s PHE 254 CO 0.23 0.26 0.34 1.52 -1.46 0.00 0.00 175.22 176.11 3bza s TYR 255 N -1.23 0.27 -0.22 10.12 1.13 -0.06 -0.99 117.35 126.39 3bza s TYR 255 Ca 0.43 -0.63 -0.20 0.00 -1.41 0.00 0.00 57.07 55.26 3bza s TYR 255 Cb -0.26 0.05 0.06 0.00 -1.10 0.00 0.00 41.96 40.71 3bza s TYR 255 CO 0.33 -0.77 0.58 -1.17 -2.51 0.00 0.00 175.55 172.01 3bza s LEU 256 N -2.95 -0.24 -0.16 -3.49 2.96 -0.43 -1.06 118.68 113.32 3bza s LEU 256 Ca 0.15 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 55.24 3bza s LEU 256 Cb 0.02 1.99 -0.00 0.00 0.50 0.00 0.00 46.19 48.70 3bza s LEU 256 CO -0.01 -0.20 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.36 3bza s TYR 257 N 0.37 2.79 0.28 5.38 2.02 0.16 -0.43 117.35 127.92 3bza s TYR 257 Ca -0.01 -1.01 0.06 0.00 -0.37 0.00 0.00 57.07 55.74 3bza s TYR 257 Cb -0.04 -1.90 -0.06 0.00 -0.40 0.00 0.00 41.96 39.57 3bza s TYR 257 CO -0.00 -0.46 -0.04 0.96 -1.57 0.00 0.00 175.55 174.44 3bza s ILE 258 N 0.82 1.52 -0.12 2.71 -4.36 0.13 -0.85 121.20 121.04 3bza s ILE 258 Ca -0.05 -2.10 0.03 0.00 -0.26 0.00 0.00 60.65 58.27 3bza s ILE 258 Cb -0.15 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.08 3bza s ILE 258 CO -0.00 -0.27 -0.22 -0.76 0.24 0.00 0.00 174.94 173.93 3bza s LEU 259 N -3.43 2.15 0.99 0.37 1.43 -0.09 -0.57 118.68 119.53 3bza s LEU 259 Ca 0.30 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.69 3bza s LEU 259 Cb 0.05 -1.44 0.19 0.00 0.03 0.00 0.00 46.19 45.02 3bza s LEU 259 CO 0.12 0.12 1.22 1.51 0.23 0.00 0.00 176.35 179.56 3bza s ASP 260 N 0.55 2.85 0.56 2.29 -4.77 0.09 -4.85 116.67 113.39 3bza s ASP 260 Ca -0.13 0.55 0.28 0.00 -3.30 0.00 0.00 52.55 49.94 3bza s ASP 260 Cb -0.17 -0.79 1.47 0.00 -1.09 0.00 0.00 42.92 42.34 3bza s ASP 260 CO 0.04 -2.92 1.96 -0.65 0.70 0.00 0.00 175.17 174.30 3bza h PRO 261 N -1.76 0.00 -0.65 2.11 0.11 -1.89 -0.35 132.00 129.57 3bza h PRO 261 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3bza h PRO 261 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3bza h PRO 261 CO 0.45 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 3bza n ASP 262 N -4.06 4.98 -0.84 -2.05 8.00 -1.26 -4.94 116.55 116.39 3bza n ASP 262 Ca 0.10 -2.56 -0.11 0.00 0.71 0.00 0.00 54.79 52.93 3bza n ASP 262 Cb 0.65 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 3bza n ASP 262 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3bza n ASN 263 N 1.02 -5.26 -4.71 -2.24 4.13 -0.14 -4.99 115.26 103.07 3bza n ASN 263 Ca 0.26 0.27 -0.42 0.00 1.68 0.00 0.00 54.58 56.37 3bza n ASN 263 Cb 0.96 -3.72 -0.03 0.00 -1.54 0.00 0.00 39.78 35.45 3bza n ASN 263 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3bza s HIS 264 N -2.09 2.90 -0.03 3.10 3.76 -1.26 -4.70 115.29 116.97 3bza s HIS 264 Ca 0.00 0.47 -0.26 0.00 -0.15 0.00 0.00 55.06 55.12 3bza s HIS 264 Cb 0.00 -4.02 -0.04 0.00 1.11 0.00 0.00 32.58 29.64 3bza s HIS 264 CO 0.00 -3.84 0.79 0.50 -0.85 0.00 0.00 174.74 171.34 3bza s ARG 265 N 1.37 4.48 -0.12 1.40 3.52 -1.26 -0.73 118.95 127.62 3bza s ARG 265 Ca 0.73 1.06 0.02 0.00 -0.13 0.00 0.00 55.73 57.40 3bza s ARG 265 Cb -0.46 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.49 3bza s ARG 265 CO 0.32 0.06 -0.18 0.42 -0.81 0.00 0.00 175.30 175.11 3bza s ILE 266 N 0.73 2.56 -0.13 4.11 -1.09 0.26 -2.44 121.20 125.21 3bza s ILE 266 Ca 0.42 -0.84 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 3bza s ILE 266 Cb -0.19 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 3bza s ILE 266 CO 0.22 0.54 0.16 -0.70 -1.23 0.00 0.00 174.94 173.92 3bza s GLU 267 N 0.35 3.60 -0.07 2.79 2.12 -0.42 -0.69 118.70 126.37 3bza s GLU 267 Ca -0.15 -0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.07 3bza s GLU 267 Cb -0.17 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 3bza s GLU 267 CO 0.07 0.69 -0.02 0.42 -0.54 0.00 0.00 175.26 175.88 3bza s ILE 268 N -0.79 4.08 -0.13 -3.70 -1.09 0.43 -1.07 121.20 118.94 3bza s ILE 268 Ca 0.14 -0.37 -0.12 0.00 -2.23 0.00 0.00 60.65 58.07 3bza s ILE 268 Cb -0.12 -2.71 0.03 0.00 -1.58 0.00 0.00 42.46 38.08 3bza s ILE 268 CO 0.04 0.58 0.35 -0.47 -1.23 0.00 0.00 174.94 174.20 3bza s TYR 269 N -0.88 -0.38 -0.05 3.97 5.04 -0.31 -1.32 117.35 123.43 3bza s TYR 269 Ca 0.14 0.92 -0.20 0.00 -2.44 0.00 0.00 57.07 55.49 3bza s TYR 269 Cb -0.11 0.13 0.04 0.00 0.35 0.00 0.00 41.96 42.37 3bza s TYR 269 CO 0.03 -0.19 0.44 -0.08 -1.34 0.00 0.00 175.55 174.41 3bza s THR 270 N 0.15 0.03 -0.65 4.34 -1.32 -0.16 -1.81 115.64 116.23 3bza s THR 270 Ca -0.00 -0.27 -0.04 0.00 -1.21 0.00 0.00 61.69 60.17 3bza s THR 270 Cb -0.02 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 3bza s THR 270 CO 0.01 -0.15 0.56 0.00 -2.21 0.00 0.00 174.62 172.83 3bza n GLN 271 N 1.37 -3.79 -0.05 7.08 6.02 -1.26 -0.99 117.38 125.76 3bza n GLN 271 Ca -0.20 0.41 -0.01 0.00 -0.01 0.00 0.00 57.00 57.19 3bza n GLN 271 Cb 0.56 -4.15 0.01 0.00 1.02 0.00 0.00 30.24 27.68 3bza n GLN 271 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3bza n ASP 272 N -0.92 -0.30 -4.64 1.08 5.75 -1.26 -4.44 116.55 111.82 3bza n ASP 272 Ca -0.02 -0.87 -0.27 0.00 -0.01 0.00 0.00 54.79 53.63 3bza n ASP 272 Cb 0.54 -0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.50 3bza n ASP 272 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3bza s TYR 273 N -1.07 2.53 0.08 2.11 1.13 -1.26 -5.02 117.35 115.85 3bza s TYR 273 Ca 0.02 -0.60 -0.30 0.00 -1.41 0.00 0.00 57.07 54.78 3bza s TYR 273 Cb -0.00 -1.73 -0.05 0.00 -1.10 0.00 0.00 41.96 39.08 3bza s TYR 273 CO 0.01 0.41 1.04 -0.47 -2.51 0.00 0.00 175.55 174.04 3bza s TYR 274 N -2.65 3.66 -0.02 -3.49 5.04 -1.26 -3.86 117.35 114.77 3bza s TYR 274 Ca 0.36 1.64 0.02 0.00 -2.44 0.00 0.00 57.07 56.66 3bza s TYR 274 Cb 0.06 -3.18 0.04 0.00 0.35 0.00 0.00 41.96 39.23 3bza s TYR 274 CO 0.19 -0.28 0.87 0.25 -1.34 0.00 0.00 175.55 175.23 3bza n THR 275 N 3.22 0.73 0.52 4.34 -2.24 -0.29 -4.85 114.28 115.71 3bza n THR 275 Ca 0.05 -0.77 0.10 0.00 -2.27 0.00 0.00 64.05 61.15 3bza n THR 275 Cb 0.49 0.56 0.43 0.00 -2.10 0.00 0.00 70.33 69.70 3bza n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bza n GLY 276 N -0.43 -1.24 3.75 3.38 0.00 -1.26 -4.72 105.19 104.68 3bza n GLY 276 Ca 0.02 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3bza n GLY 276 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bza s ASP 277 N -3.69 7.46 0.58 1.61 1.11 -1.26 -4.93 116.67 117.56 3bza s ASP 277 Ca 0.07 2.09 0.37 0.00 0.18 0.00 0.00 52.55 55.26 3bza s ASP 277 Cb 0.11 -2.62 1.70 0.00 1.07 0.00 0.00 42.92 43.18 3bza s ASP 277 CO 0.38 0.00 2.11 1.55 1.18 0.00 0.00 175.17 180.40 3bza h PRO 278 N 4.09 0.00 -0.54 8.23 0.13 -2.04 -1.21 132.00 140.66 3bza h PRO 278 Ca -0.46 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 3bza h PRO 278 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 3bza h PRO 278 CO 0.68 0.02 0.15 -0.40 -0.23 0.00 0.00 178.00 178.22 3bza n ASP 279 N -3.14 3.71 -4.65 1.44 5.75 -1.26 -5.00 116.55 113.41 3bza n ASP 279 Ca -0.01 -3.41 -0.57 0.00 -0.01 0.00 0.00 54.79 50.80 3bza n ASP 279 Cb 0.23 -0.68 -0.07 0.00 -1.03 0.00 0.00 41.12 39.57 3bza n ASP 279 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3bza n ASN 280 N -0.69 1.73 -4.67 -1.12 5.15 -0.46 -4.81 115.26 110.38 3bza n ASN 280 Ca 0.37 1.11 -0.42 0.00 -0.60 0.00 0.00 54.58 55.04 3bza n ASN 280 Cb 1.21 -1.11 -0.03 0.00 -0.53 0.00 0.00 39.78 39.32 3bza n ASN 280 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3bza s PRO 281 N 1.93 4.15 0.28 1.20 0.02 -1.26 -4.98 135.00 136.34 3bza s PRO 281 Ca 0.93 2.52 -0.29 0.00 0.02 0.00 0.00 61.00 64.18 3bza s PRO 281 Cb -1.09 -3.92 -0.09 0.00 0.02 0.00 0.00 34.50 29.42 3bza s PRO 281 CO 0.59 -0.89 1.05 0.99 -0.33 0.00 0.00 177.00 178.42 3bza s THR 282 N 3.72 3.66 -0.17 0.99 2.01 -1.26 -4.92 115.64 119.67 3bza s THR 282 Ca 0.83 1.62 -0.00 0.00 0.31 0.00 0.00 61.69 64.45 3bza s THR 282 Cb -0.42 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.08 3bza s THR 282 CO 0.37 0.35 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.87 3bza s ILE 283 N -1.23 2.55 -0.19 1.82 1.01 -0.53 -5.00 121.20 119.64 3bza s ILE 283 Ca 0.45 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 3bza s ILE 283 Cb -0.29 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 3bza s ILE 283 CO 0.37 0.51 -0.06 -0.89 0.00 0.00 0.00 174.94 174.87 3bza s THR 284 N 1.08 3.40 0.03 2.92 2.01 -1.26 -0.98 115.64 122.84 3bza s THR 284 Ca -0.00 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 3bza s THR 284 Cb -0.14 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 3bza s THR 284 CO -0.05 0.46 0.15 0.26 -0.69 0.00 0.00 174.62 174.76 3bza s TRP 285 N 1.00 3.42 0.19 4.92 0.52 -0.40 -4.99 118.94 123.60 3bza s TRP 285 Ca -0.00 0.24 -0.30 0.00 0.02 0.00 0.00 56.10 56.06 3bza s TRP 285 Cb -0.15 -1.75 -0.08 0.00 -1.15 0.00 0.00 33.47 30.35 3bza s TRP 285 CO 0.00 0.59 1.01 1.21 0.02 0.00 0.00 176.95 179.78 3bza s ASN 286 N -2.19 7.44 0.61 2.95 3.84 -1.26 -1.22 114.94 125.11 3bza s ASN 286 Ca 0.30 1.99 0.33 0.00 0.21 0.00 0.00 52.86 55.69 3bza s ASN 286 Cb -0.13 -2.60 1.96 0.00 -0.55 0.00 0.00 41.25 39.93 3bza s ASN 286 CO 0.22 -0.06 2.28 1.62 -2.79 0.00 0.00 177.10 178.37 3bza h VAL 287 N 3.56 0.40 -0.03 -5.21 3.04 -1.22 -1.45 116.25 115.33 3bza h VAL 287 Ca -0.44 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3bza h VAL 287 Cb 1.21 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 3bza h VAL 287 CO 0.70 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 178.68 3bza n HIS 288 N -3.65 0.02 -2.54 3.17 8.25 -1.26 -4.81 115.22 114.40 3bza n HIS 288 Ca -0.03 -0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 3bza n HIS 288 Cb 0.08 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 3bza n HIS 288 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3bza s ASP 289 N -1.96 6.60 0.00 0.41 -1.08 -0.55 -0.54 116.67 119.55 3bza s ASP 289 Ca 0.38 0.67 0.11 0.00 -0.52 0.00 0.00 52.55 53.19 3bza s ASP 289 Cb 0.21 -2.55 0.65 0.00 -1.46 0.00 0.00 42.92 39.77 3bza s ASP 289 CO 0.33 -1.24 1.08 -3.20 0.52 0.00 0.00 175.17 172.66 3bza n ASN 290 N 7.94 0.00 -0.80 -0.34 5.15 0.17 -2.03 115.26 125.35 3bza n ASN 290 Ca 0.13 -0.57 0.08 0.00 -0.60 0.00 0.00 54.58 53.62 3bza n ASN 290 Cb 0.48 0.00 0.16 0.00 -0.53 0.00 0.00 39.78 39.90 3bza n ASN 290 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bza n GLN 291 N -0.88 2.26 0.09 1.20 6.02 -1.26 -3.89 117.38 120.92 3bza n GLN 291 Ca 0.08 -1.98 -0.12 0.00 -0.01 0.00 0.00 57.00 54.97 3bza n GLN 291 Cb 0.04 -1.35 -0.09 0.00 1.02 0.00 0.00 30.24 29.86 3bza n GLN 291 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 3bza h ARG 292 N 2.90 0.21 0.00 -1.09 0.11 -1.76 -3.23 114.38 111.52 3bza h ARG 292 Ca 0.00 -0.29 -0.30 0.00 0.10 0.00 0.00 59.98 59.49 3bza h ARG 292 Cb 0.76 0.10 -0.04 0.00 1.11 0.00 0.00 29.97 31.90 3bza h ARG 292 CO 0.00 1.08 -1.95 0.54 0.10 0.00 0.00 179.97 179.74 3bza n ARG 293 N -3.56 0.43 -3.89 0.08 1.74 -1.26 0.03 116.66 110.23 3bza n ARG 293 Ca -0.05 0.19 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 3bza n ARG 293 Cb 0.92 -1.22 -0.14 0.00 -1.02 0.00 0.00 32.46 31.00 3bza n ARG 293 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bza s ASP 294 N -6.72 4.53 0.59 0.55 2.15 -1.26 -3.26 116.67 113.26 3bza s ASP 294 Ca -0.28 -0.71 0.29 0.00 0.43 0.00 0.00 52.55 52.28 3bza s ASP 294 Cb 0.10 -1.74 1.72 0.00 -0.30 0.00 0.00 42.92 42.70 3bza s ASP 294 CO 0.35 -0.12 2.17 -0.25 -0.17 0.00 0.00 175.17 177.16 3bza h TRP 295 N 8.10 0.00 -0.15 -5.34 -0.00 -0.26 -0.76 115.95 117.54 3bza h TRP 295 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.55 3bza h TRP 295 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.29 3bza h TRP 295 CO 0.59 0.00 0.00 0.91 -0.00 0.00 0.00 178.44 179.94 3bza n TRP 296 N -3.84 0.18 -0.92 2.65 8.01 -1.26 -4.79 117.44 117.48 3bza n TRP 296 Ca -0.01 -0.09 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 3bza n TRP 296 Cb 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.51 3bza n TRP 296 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bza n GLY 297 N 1.24 0.67 3.76 6.99 0.00 -0.29 -5.02 105.19 112.54 3bza n GLY 297 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3bza n GLY 297 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bza s ASN 298 N -2.31 5.58 0.40 1.61 0.01 -1.26 -4.69 114.94 114.27 3bza s ASN 298 Ca 0.00 2.84 -0.25 0.00 -0.71 0.00 0.00 52.86 54.74 3bza s ASN 298 Cb 0.00 -2.64 -0.08 0.00 0.41 0.00 0.00 41.25 38.93 3bza s ASN 298 CO 0.00 -1.37 1.19 -2.16 -1.51 0.00 0.00 177.10 173.25 3bza s PRO 299 N -2.68 4.02 -0.33 -0.60 0.04 -1.26 -4.57 135.00 129.61 3bza s PRO 299 Ca 0.66 1.90 -0.27 0.00 0.04 0.00 0.00 61.00 63.33 3bza s PRO 299 Cb -0.42 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.46 3bza s PRO 299 CO 0.52 -0.37 0.99 0.08 0.04 0.00 0.00 177.00 178.26 3bza s VAL 300 N -1.39 4.57 0.24 -0.36 1.01 -1.26 -4.99 120.40 118.22 3bza s VAL 300 Ca 0.57 1.49 -0.31 0.00 0.00 0.00 0.00 61.98 63.73 3bza s VAL 300 Cb -0.32 -4.35 -0.13 0.00 0.00 0.00 0.00 36.38 31.58 3bza s VAL 300 CO 0.40 -0.47 1.46 0.55 0.00 0.00 0.00 175.10 177.05 3bza n VAL 301 N 5.87 0.86 0.08 2.92 3.14 -1.26 -4.89 118.33 125.05 3bza n VAL 301 Ca 0.09 -0.21 0.08 0.00 -2.96 0.00 0.00 64.34 61.34 3bza n VAL 301 Cb 0.48 -1.57 0.53 0.00 -1.06 0.00 0.00 33.84 32.22 3bza n VAL 301 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3bza h PRO 302 N 4.52 0.28 0.00 1.45 0.11 -1.97 -1.12 132.00 135.27 3bza h PRO 302 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3bza h PRO 302 Cb 1.26 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3bza h PRO 302 CO 0.78 0.18 -0.03 0.66 -0.21 0.00 0.00 178.00 179.38 3bza h SER 303 N 0.29 0.00 -0.36 -2.05 4.64 -1.97 -1.47 113.55 112.62 3bza h SER 303 Ca 0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3bza h SER 303 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3bza h SER 303 CO -0.02 0.03 0.22 -0.25 -0.87 0.00 0.00 176.83 175.94 3bza h TRP 304 N 0.00 0.48 0.00 4.77 7.01 -1.51 0.18 115.95 126.88 3bza h TRP 304 Ca -0.00 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 60.85 3bza h TRP 304 Cb 0.06 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.93 3bza h TRP 304 CO 0.00 0.33 -1.14 1.88 -2.79 0.00 0.00 178.44 176.72 3bza h TYR 305 N 0.51 0.00 0.00 2.65 0.05 -1.38 -3.41 116.97 115.39 3bza h TYR 305 Ca 0.14 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.64 3bza h TYR 305 Cb -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.67 3bza h TYR 305 CO 0.00 0.58 -2.03 0.25 -1.05 0.00 0.00 178.16 175.91 3bza n THR 306 N -3.01 1.03 -3.77 -2.88 -2.24 -0.87 -4.97 114.28 97.57 3bza n THR 306 Ca -0.06 -0.61 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 3bza n THR 306 Cb 0.82 -0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 3bza n THR 306 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bza s GLU 307 N -2.36 3.57 0.06 -0.78 0.41 0.58 -5.03 118.70 115.14 3bza s GLU 307 Ca -0.10 0.01 -0.27 0.00 -0.41 0.00 0.00 54.97 54.20 3bza s GLU 307 Cb 0.05 -3.19 0.09 0.00 -1.78 0.00 0.00 34.13 29.30 3bza s GLU 307 CO 0.59 0.74 0.84 0.00 -0.49 0.00 0.00 175.26 176.94 3bza s ALA 308 N -1.07 -1.74 0.27 5.21 0.00 -1.26 -4.80 121.76 118.37 3bza s ALA 308 Ca 0.19 0.75 -0.23 0.00 0.00 0.00 0.00 51.96 52.66 3bza s ALA 308 Cb -0.13 0.55 -0.09 0.00 0.00 0.00 0.00 23.12 23.45 3bza s ALA 308 CO 0.08 -0.77 0.84 -1.12 0.00 0.00 0.00 175.76 174.79 3bza s SER 309 N -2.61 7.22 0.79 0.00 0.01 0.01 -4.83 113.70 114.29 3bza s SER 309 Ca 0.05 1.65 -0.14 0.00 1.31 0.00 0.00 55.95 58.83 3bza s SER 309 Cb -0.01 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.77 3bza s SER 309 CO -0.08 -0.01 1.12 0.29 0.41 0.00 0.00 173.24 174.98 3bza n LYS 310 N 0.69 0.25 -4.31 12.44 5.02 -1.26 -0.61 118.16 130.38 3bza n LYS 310 Ca -0.00 0.16 -0.23 0.00 -2.02 0.00 0.00 58.31 56.21 3bza n LYS 310 Cb 0.50 -2.37 -0.12 0.00 -0.02 0.00 0.00 35.03 33.02 3bza n LYS 310 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3bza s VAL 311 N -2.06 1.78 0.07 -0.18 -7.23 -1.26 -0.07 120.40 111.46 3bza s VAL 311 Ca 0.73 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 59.15 3bza s VAL 311 Cb -0.30 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 3bza s VAL 311 CO 0.51 -0.16 0.28 -0.76 -0.31 0.00 0.00 175.10 174.66 3bza s LEU 312 N -2.24 4.33 0.00 1.32 1.43 0.46 -1.04 118.68 122.94 3bza s LEU 312 Ca 0.11 0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.49 3bza s LEU 312 Cb -0.08 -3.01 0.22 0.00 0.03 0.00 0.00 46.19 43.36 3bza s LEU 312 CO 0.05 0.15 1.22 -0.90 0.23 0.00 0.00 176.35 177.10 3bza n ASP 313 N 0.43 -0.26 0.10 2.29 5.68 0.13 -4.38 116.55 120.54 3bza n ASP 313 Ca -0.06 -1.40 0.10 0.00 -0.50 0.00 0.00 54.79 52.93 3bza n ASP 313 Cb 0.52 -0.96 0.43 0.00 -1.14 0.00 0.00 41.12 39.97 3bza n ASP 313 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3bza n LEU 314 N 0.00 0.45 -0.43 -2.12 4.32 -1.26 -1.51 117.00 116.45 3bza n LEU 314 Ca 0.15 0.63 0.14 0.00 -0.02 0.00 0.00 56.01 56.92 3bza n LEU 314 Cb 0.55 -0.60 0.51 0.00 -1.62 0.00 0.00 43.42 42.26 3bza n LEU 314 CO 0.39 -0.55 0.84 0.47 -1.22 0.00 0.00 177.39 177.32 3bza n ASP 315 N -2.02 1.39 0.00 -1.43 8.00 -1.26 -4.94 116.55 116.28 3bza n ASP 315 Ca 0.02 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.13 3bza n ASP 315 Cb 0.17 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3bza n ASP 315 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bza n GLY 316 N 1.20 0.55 3.88 0.44 0.00 -0.57 -5.06 105.19 105.64 3bza n GLY 316 Ca 0.18 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3bza n GLY 316 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bza s ASN 317 N -2.08 6.51 0.24 1.61 0.01 -1.26 -4.83 114.94 115.14 3bza s ASN 317 Ca 0.00 0.59 -0.31 0.00 -0.71 0.00 0.00 52.86 52.43 3bza s ASN 317 Cb 0.00 -2.10 -0.11 0.00 0.41 0.00 0.00 41.25 39.45 3bza s ASN 317 CO 0.00 0.21 1.56 -0.69 -1.51 0.00 0.00 177.10 176.67 3bza s VAL 318 N -1.36 2.37 0.25 1.60 1.01 -1.26 0.18 120.40 123.19 3bza s VAL 318 Ca 0.30 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 3bza s VAL 318 Cb -0.13 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 3bza s VAL 318 CO 0.18 0.04 1.15 -1.10 0.00 0.00 0.00 175.10 175.36 3bza s GLN 319 N 0.16 4.57 0.52 2.72 -1.52 -0.20 -4.79 119.66 121.11 3bza s GLN 319 Ca 0.65 1.86 -0.21 0.00 -1.95 0.00 0.00 55.36 55.71 3bza s GLN 319 Cb -0.45 -3.20 -0.06 0.00 -0.22 0.00 0.00 33.01 29.08 3bza s GLN 319 CO 0.40 0.08 1.20 -2.00 -0.25 0.00 0.00 175.29 174.72 3bza s GLU 320 N -1.10 3.42 -0.05 2.91 2.56 -1.26 -4.82 118.70 120.36 3bza s GLU 320 Ca 0.47 1.82 -0.13 0.00 0.00 0.00 0.00 54.97 57.13 3bza s GLU 320 Cb -0.33 -2.20 -0.05 0.00 2.00 0.00 0.00 34.13 33.55 3bza s GLU 320 CO 0.41 -0.85 0.35 0.42 -0.56 0.00 0.00 175.26 175.03 3bza s ILE 321 N -1.56 5.16 -0.15 -3.70 1.09 -1.26 -4.26 121.20 116.52 3bza s ILE 321 Ca 0.70 0.69 -0.02 0.00 -1.10 0.00 0.00 60.65 60.92 3bza s ILE 321 Cb -0.30 -3.65 -0.02 0.00 -1.06 0.00 0.00 42.46 37.44 3bza s ILE 321 CO 0.35 0.55 -0.09 -0.63 -0.10 0.00 0.00 174.94 175.02 3bza s ILE 322 N -0.81 3.37 0.21 2.92 1.09 0.93 -4.92 121.20 124.00 3bza s ILE 322 Ca 0.21 -0.54 -0.30 0.00 -1.10 0.00 0.00 60.65 58.92 3bza s ILE 322 Cb -0.15 -2.45 -0.08 0.00 -1.06 0.00 0.00 42.46 38.72 3bza s ILE 322 CO 0.10 0.51 1.09 -1.61 -0.10 0.00 0.00 174.94 174.93 3bza s GLU 323 N 0.44 4.62 0.18 2.79 2.02 -1.26 -1.85 118.70 125.64 3bza s GLU 323 Ca -0.07 1.74 -0.31 0.00 0.02 0.00 0.00 54.97 56.35 3bza s GLU 323 Cb -0.15 -3.25 -0.09 0.00 0.10 0.00 0.00 34.13 30.74 3bza s GLU 323 CO 0.04 0.14 1.48 0.50 0.02 0.00 0.00 175.26 177.43 3bza s ARG 324 N -0.75 4.26 -0.05 1.61 3.52 -1.26 -4.93 118.95 121.36 3bza s ARG 324 Ca 0.47 2.26 0.17 0.00 -0.13 0.00 0.00 55.73 58.51 3bza s ARG 324 Cb -0.30 -3.17 -0.27 0.00 -1.56 0.00 0.00 34.95 29.66 3bza s ARG 324 CO 0.37 -0.50 0.33 0.25 -0.81 0.00 0.00 175.30 174.94 3bza n THR 325 N 3.44 0.20 -0.63 4.11 -2.24 -1.26 -4.96 114.28 112.94 3bza n THR 325 Ca 0.11 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 3bza n THR 325 Cb 0.40 -0.03 0.19 0.00 -2.10 0.00 0.00 70.33 68.79 3bza n THR 325 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bza n ASP 326 N -2.21 -0.08 -4.66 3.42 8.00 -1.26 -4.93 116.55 114.83 3bza n ASP 326 Ca -0.08 0.30 -0.41 0.00 0.71 0.00 0.00 54.79 55.32 3bza n ASP 326 Cb 0.57 -1.44 0.01 0.00 -0.02 0.00 0.00 41.12 40.24 3bza n ASP 326 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3bza n ASP 327 N -4.40 1.96 -4.71 -2.24 8.00 -1.26 -4.96 116.55 108.94 3bza n ASP 327 Ca 0.10 1.08 -0.39 0.00 0.71 0.00 0.00 54.79 56.29 3bza n ASP 327 Cb 0.52 -1.43 -0.05 0.00 -0.02 0.00 0.00 41.12 40.14 3bza n ASP 327 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3bza s SER 328 N -0.63 6.87 0.22 -2.24 0.15 -1.26 -4.98 113.70 111.84 3bza s SER 328 Ca 0.62 1.05 -0.07 0.00 0.70 0.00 0.00 55.95 58.25 3bza s SER 328 Cb -0.54 -2.37 0.30 0.00 -1.71 0.00 0.00 66.02 61.70 3bza s SER 328 CO 0.57 -0.12 1.80 -0.08 1.20 0.00 0.00 173.24 176.62 3bza h GLU 329 N 6.86 0.68 0.20 5.44 4.81 -1.92 -1.27 114.58 129.38 3bza h GLU 329 Ca -0.39 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 3bza h GLU 329 Cb 1.18 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 3bza h GLU 329 CO 0.76 0.45 -0.26 1.25 -0.73 0.00 0.00 179.01 180.48 3bza h LEU 330 N 0.70 -0.72 -0.93 1.64 6.46 -1.95 -2.27 115.31 118.26 3bza h LEU 330 Ca 0.33 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 58.15 3bza h LEU 330 Cb 0.26 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 3bza h LEU 330 CO -0.22 -0.37 0.51 -0.33 -0.62 0.00 0.00 178.44 177.42 3bza h GLU 331 N -0.52 1.27 0.00 1.25 4.39 -1.82 0.14 114.58 119.28 3bza h GLU 331 Ca 0.01 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3bza h GLU 331 Cb 0.50 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3bza h GLU 331 CO -0.10 0.91 0.00 1.33 -1.16 0.00 0.00 179.01 180.00 3bza n VAL 332 N -4.33 0.47 -0.05 3.13 0.24 -0.52 -3.00 118.33 114.27 3bza n VAL 332 Ca 0.10 -0.08 -0.08 0.00 -2.04 0.00 0.00 64.34 62.24 3bza n VAL 332 Cb 0.09 -0.67 -0.04 0.00 -1.47 0.00 0.00 33.84 31.75 3bza n VAL 332 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3bza n THR 333 N -1.95 0.52 -0.10 3.34 -2.24 -0.87 -1.00 114.28 111.98 3bza n THR 333 Ca 0.05 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3bza n THR 333 Cb 0.35 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 3bza n THR 333 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3bza n ILE 334 N -3.03 0.00 -1.39 2.28 -5.35 0.41 -3.01 119.36 109.27 3bza n ILE 334 Ca -0.17 -0.39 -0.29 0.00 -0.27 0.00 0.00 62.75 61.62 3bza n ILE 334 Cb 0.65 1.10 0.19 0.00 -1.74 0.00 0.00 39.64 39.84 3bza n ILE 334 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3bza s GLY 335 N -0.42 1.61 0.46 3.28 0.00 -0.76 -4.08 107.32 107.40 3bza s GLY 335 Ca 0.00 -0.75 0.17 0.00 0.00 0.00 0.00 44.72 44.15 3bza s GLY 335 CO 0.00 -0.04 1.97 0.00 0.00 0.00 0.00 173.10 175.03 3bza h ALA 336 N -1.95 2.17 -0.45 3.20 0.00 -1.81 -1.56 119.26 118.86 3bza h ALA 336 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3bza h ALA 336 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3bza h ALA 336 CO 0.48 -0.33 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 3bza n ASP 337 N -4.45 3.89 -4.95 0.00 8.00 -1.26 -4.14 116.55 113.64 3bza n ASP 337 Ca 0.11 -2.42 -0.20 0.00 0.71 0.00 0.00 54.79 52.99 3bza n ASP 337 Cb 0.48 -0.45 0.06 0.00 -0.02 0.00 0.00 41.12 41.19 3bza n ASP 337 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bza s GLY 338 N -1.20 1.77 0.03 0.44 0.00 -0.58 -4.88 107.32 102.90 3bza s GLY 338 Ca 0.39 -1.95 -0.27 0.00 0.00 0.00 0.00 44.72 42.89 3bza s GLY 338 CO 0.18 -1.52 0.76 -0.11 0.00 0.00 0.00 173.10 172.42 3bza s PHE 339 N -2.73 -0.47 0.07 1.90 -0.71 -0.17 -0.87 117.98 115.00 3bza s PHE 339 Ca 0.62 0.45 -0.05 0.00 -1.04 0.00 0.00 56.93 56.91 3bza s PHE 339 Cb -0.06 0.52 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 3bza s PHE 339 CO 0.39 -0.65 0.07 -1.54 -1.34 0.00 0.00 175.22 172.16 3bza s SER 340 N -2.23 0.31 0.17 1.98 1.04 -0.37 -4.25 113.70 110.36 3bza s SER 340 Ca 0.00 -0.82 0.08 0.00 0.48 0.00 0.00 55.95 55.69 3bza s SER 340 Cb -0.01 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 3bza s SER 340 CO -0.06 -0.65 -0.16 0.72 0.98 0.00 0.00 173.24 174.06 3bza s PHE 341 N -3.82 1.71 -0.19 5.02 -0.71 0.30 -0.78 117.98 119.50 3bza s PHE 341 Ca 0.05 -0.51 -0.19 0.00 -1.04 0.00 0.00 56.93 55.24 3bza s PHE 341 Cb 0.06 -0.84 -0.20 0.00 -1.21 0.00 0.00 43.02 40.83 3bza s PHE 341 CO -0.10 0.30 0.24 1.15 -1.34 0.00 0.00 175.22 175.47 3bza h THR 342 N 3.11 0.85 -3.21 -4.49 2.02 -1.68 0.51 112.91 110.02 3bza h THR 342 Ca -0.41 -2.21 -0.67 0.00 0.77 0.00 0.00 66.41 63.89 3bza h THR 342 Cb 1.21 2.26 -0.33 0.00 -1.74 0.00 0.00 68.15 69.54 3bza h THR 342 CO 0.54 0.41 -0.86 -0.13 0.37 0.00 0.00 175.52 175.85 3bza s ARG 343 N -2.40 3.05 0.14 6.66 0.52 -1.26 -4.87 118.95 120.79 3bza s ARG 343 Ca -0.28 -0.84 -0.34 0.00 -0.52 0.00 0.00 55.73 53.76 3bza s ARG 343 Cb 0.06 -2.46 -0.13 0.00 0.52 0.00 0.00 34.95 32.94 3bza s ARG 343 CO 0.62 -0.01 1.64 0.00 0.02 0.00 0.00 175.30 177.57 3bza n ALA 344 N 4.06 1.55 -0.43 2.13 0.00 -1.26 -1.31 120.51 125.24 3bza n ALA 344 Ca -0.20 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3bza n ALA 344 Cb 0.52 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3bza n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bza n GLY 345 N 3.61 1.63 3.50 0.00 0.00 -1.26 -5.01 105.19 107.66 3bza n GLY 345 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3bza n GLY 345 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bza s ASP 346 N -3.30 5.64 0.41 1.61 -1.08 -0.43 -4.97 116.67 114.56 3bza s ASP 346 Ca 0.00 -0.28 0.20 0.00 -0.52 0.00 0.00 52.55 51.95 3bza s ASP 346 Cb 0.00 -2.03 0.89 0.00 -1.46 0.00 0.00 42.92 40.32 3bza s ASP 346 CO 0.00 -0.12 1.84 -0.33 0.52 0.00 0.00 175.17 177.08 3bza h GLU 347 N 8.34 0.00 -6.38 4.34 4.39 -1.95 -3.37 114.58 119.95 3bza h GLU 347 Ca -0.34 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.81 3bza h GLU 347 Cb 1.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 3bza h GLU 347 CO 0.59 0.30 0.74 0.34 -1.16 0.00 0.00 179.01 179.82 3bza s ASP 348 N -6.44 6.95 0.00 1.42 2.15 -1.26 -1.92 116.67 117.57 3bza s ASP 348 Ca -0.01 2.01 0.00 0.00 0.43 0.00 0.00 52.55 54.98 3bza s ASP 348 Cb 0.12 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 3bza s ASP 348 CO 0.66 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 3bza n GLY 349 N 3.48 0.53 3.93 2.66 0.00 -1.26 -4.67 105.19 109.86 3bza n GLY 349 Ca 0.12 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 3bza n GLY 349 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bza s SER 350 N -2.30 6.26 -0.06 1.61 0.01 -0.81 -1.93 113.70 116.48 3bza s SER 350 Ca 0.00 0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.41 3bza s SER 350 Cb 0.00 -1.86 0.01 0.00 0.21 0.00 0.00 66.02 64.38 3bza s SER 350 CO 0.00 0.04 -0.12 -0.31 0.41 0.00 0.00 173.24 173.26 3bza s TYR 351 N -1.77 1.41 -0.12 2.43 2.02 0.04 -4.99 117.35 116.37 3bza s TYR 351 Ca 0.34 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.55 3bza s TYR 351 Cb -0.11 -1.04 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 3bza s TYR 351 CO 0.28 -0.26 -0.17 -1.01 -1.57 0.00 0.00 175.55 172.82 3bza s HIS 352 N 0.64 2.15 -1.08 2.71 3.76 -1.26 -1.24 115.29 120.98 3bza s HIS 352 Ca -0.14 -1.06 0.00 0.00 -0.15 0.00 0.00 55.06 53.72 3bza s HIS 352 Cb -0.15 -1.53 0.00 0.00 1.11 0.00 0.00 32.58 32.00 3bza s HIS 352 CO 0.03 -0.53 0.00 0.41 -0.85 0.00 0.00 174.74 173.80 3bza n GLY 353 N 4.23 1.10 3.83 -2.22 0.00 -0.05 -4.94 105.19 107.14 3bza n GLY 353 Ca -0.19 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 3bza n GLY 353 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3bza s GLN 354 N -2.67 1.87 0.83 1.61 -2.07 -1.26 -4.45 119.66 113.52 3bza s GLN 354 Ca 0.00 -1.14 -0.06 0.00 -1.82 0.00 0.00 55.36 52.35 3bza s GLN 354 Cb 0.00 0.57 0.17 0.00 -1.09 0.00 0.00 33.01 32.67 3bza s GLN 354 CO 0.00 -0.87 1.13 0.00 -1.32 0.00 0.00 175.29 174.23 3bza s ALA 355 N -2.97 3.24 0.98 2.60 0.00 -0.09 -4.66 121.76 120.87 3bza s ALA 355 Ca 0.14 -1.71 -0.15 0.00 0.00 0.00 0.00 51.96 50.24 3bza s ALA 355 Cb -0.05 -2.18 0.19 0.00 0.00 0.00 0.00 23.12 21.08 3bza s ALA 355 CO 0.08 -1.91 1.21 -1.54 0.00 0.00 0.00 175.76 173.60 3bza s SER 356 N -4.86 2.89 -2.12 0.00 1.04 -1.26 -4.19 113.70 105.19 3bza s SER 356 Ca 0.71 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.74 3bza s SER 356 Cb -0.03 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.20 3bza s SER 356 CO 0.48 -2.90 0.00 0.29 0.98 0.00 0.00 173.24 172.09 3bza n LYS 357 N -3.94 -1.40 -0.43 4.02 4.76 -1.26 -2.73 118.16 117.18 3bza n LYS 357 Ca 0.11 1.20 0.00 0.00 -2.87 0.00 0.00 58.31 56.76 3bza n LYS 357 Cb 0.60 -5.56 0.00 0.00 -1.84 0.00 0.00 35.03 28.23 3bza n LYS 357 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bza n GLY 358 N -0.52 0.78 3.77 0.72 0.00 -1.26 -5.06 105.19 103.61 3bza n GLY 358 Ca -0.20 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3bza n GLY 358 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bza s PHE 359 N -2.00 3.22 0.33 1.61 0.08 -1.11 -5.04 117.98 115.08 3bza s PHE 359 Ca 0.00 0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.27 3bza s PHE 359 Cb 0.00 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3bza s PHE 359 CO 0.00 0.53 0.13 0.15 -0.10 0.00 0.00 175.22 175.92 3bza s LYS 360 N -2.00 2.36 0.24 0.44 1.02 -1.26 -0.91 119.74 119.63 3bza s LYS 360 Ca 0.25 -1.54 -0.31 0.00 0.02 0.00 0.00 55.97 54.39 3bza s LYS 360 Cb -0.12 -2.17 -0.11 0.00 -0.52 0.00 0.00 37.83 34.91 3bza s LYS 360 CO 0.17 0.13 1.61 -0.51 -0.92 0.00 0.00 175.35 175.83 3bza s LEU 361 N -3.83 4.36 0.00 3.17 1.43 -1.26 -4.90 118.68 117.66 3bza s LEU 361 Ca 0.37 2.83 0.30 0.00 -1.03 0.00 0.00 54.13 56.60 3bza s LEU 361 Cb -0.03 -3.62 1.49 0.00 0.03 0.00 0.00 46.19 44.07 3bza s LEU 361 CO 0.22 -0.89 1.99 0.61 0.23 0.00 0.00 176.35 178.52