#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 5.04 0.61 3.84 1.01 -1.26 -5.07 121.20 125.38 3bza s ILE 5 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 3bza s ILE 5 Cb 0.00 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3bza s ILE 5 CO 0.00 -0.39 1.08 -2.16 0.00 0.00 0.00 174.94 173.46 3bza s PRO 6 N 2.27 3.16 -0.17 2.79 0.04 -1.26 -4.77 135.00 137.06 3bza s PRO 6 Ca 0.15 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 3bza s PRO 6 Cb -0.16 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 3bza s PRO 6 CO 0.14 -0.95 1.30 0.21 0.04 0.00 0.00 177.00 177.74 3bza s LYS 7 N -4.04 4.19 0.75 4.56 2.20 -1.26 -5.01 119.74 121.13 3bza s LYS 7 Ca 0.65 1.65 -0.14 0.00 -0.36 0.00 0.00 55.97 57.78 3bza s LYS 7 Cb -0.18 -3.80 0.05 0.00 -1.51 0.00 0.00 37.83 32.40 3bza s LYS 7 CO 0.38 -0.77 1.16 -2.14 -0.36 0.00 0.00 175.35 173.62 3bza s PRO 8 N 3.62 2.08 0.13 4.03 0.02 -1.26 -4.95 135.00 138.67 3bza s PRO 8 Ca 0.56 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.05 3bza s PRO 8 Cb -0.22 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 3bza s PRO 8 CO 0.17 -1.84 1.41 0.28 -0.33 0.00 0.00 177.00 176.69 3bza h VAL 9 N -0.62 1.27 -3.07 3.83 2.07 -1.97 -3.45 116.25 114.32 3bza h VAL 9 Ca -0.46 -1.69 -0.58 0.00 0.82 0.00 0.00 66.70 64.79 3bza h VAL 9 Cb 1.27 1.59 0.10 0.00 -1.52 0.00 0.00 31.29 32.74 3bza h VAL 9 CO 0.49 0.56 0.49 0.00 0.02 0.00 0.00 177.57 179.12 3bza n ALA 10 N -2.56 1.08 -1.77 1.67 0.00 -1.26 -4.95 120.51 112.72 3bza n ALA 10 Ca -0.04 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 3bza n ALA 10 Cb 0.61 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 -1.50 3.82 0.51 0.00 0.04 -1.26 -4.91 135.00 131.70 3bza s PRO 11 Ca 0.59 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 63.46 3bza s PRO 11 Cb -0.60 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 3bza s PRO 11 CO 0.59 -0.58 1.16 0.00 0.04 0.00 0.00 177.00 178.21 3bza s ALA 12 N -1.35 2.82 0.54 8.56 0.00 -1.26 -4.72 121.76 126.35 3bza s ALA 12 Ca 0.60 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 53.26 3bza s ALA 12 Cb -0.35 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 3bza s ALA 12 CO 0.44 -0.76 1.23 -1.25 0.00 0.00 0.00 175.76 175.42 3bza s PRO 13 N -3.00 3.24 -0.59 0.00 0.04 -1.26 -4.94 135.00 128.49 3bza s PRO 13 Ca 0.69 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 63.37 3bza s PRO 13 Cb -0.27 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.17 3bza s PRO 13 CO 0.32 -1.01 1.05 0.34 0.04 0.00 0.00 177.00 177.74 3bza s ASP 14 N -1.39 6.34 -0.06 6.66 -1.08 -1.26 -4.92 116.67 120.96 3bza s ASP 14 Ca 0.72 -0.27 -0.19 0.00 -0.52 0.00 0.00 52.55 52.29 3bza s ASP 14 Cb -0.32 -2.48 -0.05 0.00 -1.46 0.00 0.00 42.92 38.61 3bza s ASP 14 CO 0.36 -1.38 0.52 -0.63 0.52 0.00 0.00 175.17 174.57 3bza s ILE 15 N 4.44 5.06 -0.17 4.11 1.01 -1.26 -1.16 121.20 133.24 3bza s ILE 15 Ca 0.34 1.07 -0.24 0.00 0.00 0.00 0.00 60.65 61.82 3bza s ILE 15 Cb -0.11 -3.86 -0.21 0.00 0.01 0.00 0.00 42.46 38.29 3bza s ILE 15 CO 0.20 0.38 0.47 -0.07 0.00 0.00 0.00 174.94 175.93 3bza h LEU 16 N 6.11 0.00 -7.02 2.97 3.38 -0.85 -3.46 115.31 116.44 3bza h LEU 16 Ca -0.44 -0.72 0.33 0.00 0.09 0.00 0.00 57.88 57.14 3bza h LEU 16 Cb 1.19 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.76 3bza h LEU 16 CO 0.72 1.17 0.94 0.00 0.09 0.00 0.00 178.44 181.36 3bza s ARG 17 N -2.25 0.11 0.54 1.13 1.70 -1.22 -3.45 118.95 115.51 3bza s ARG 17 Ca -0.22 -0.05 -0.21 0.00 -0.47 0.00 0.00 55.73 54.78 3bza s ARG 17 Cb 0.01 0.05 -0.05 0.00 -0.57 0.00 0.00 34.95 34.39 3bza s ARG 17 CO 0.60 -0.05 1.28 0.00 -1.08 0.00 0.00 175.30 176.05 3bza n ALA 19 N -1.09 2.51 -3.44 0.00 0.00 0.03 -4.76 120.51 113.76 3bza n ALA 19 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 3bza n ALA 19 Cb 0.47 0.25 -0.02 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.76 -0.54 0.01 0.00 1.13 -1.08 -4.25 117.35 110.86 3bza s TYR 20 Ca 0.00 0.41 0.08 0.00 -1.41 0.00 0.00 57.07 56.15 3bza s TYR 20 Cb 0.00 0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 41.38 3bza s TYR 20 CO 0.00 -0.79 -0.24 0.00 -2.51 0.00 0.00 175.55 172.00 3bza s ALA 21 N -3.39 2.30 -0.32 9.51 0.00 -0.98 -0.24 121.76 128.63 3bza s ALA 21 Ca -0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.68 3bza s ALA 21 Cb -0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 3bza s ALA 21 CO -0.10 0.54 0.16 -2.00 0.00 0.00 0.00 175.76 174.36 3bza s GLU 22 N -0.97 3.24 -0.19 0.00 2.12 0.35 -0.92 118.70 122.34 3bza s GLU 22 Ca 0.11 -0.79 -0.06 0.00 0.36 0.00 0.00 54.97 54.59 3bza s GLU 22 Cb -0.10 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 3bza s GLU 22 CO 0.01 -0.47 0.03 -0.51 -0.54 0.00 0.00 175.26 173.78 3bza s LEU 23 N 1.60 3.55 0.05 2.70 1.43 0.48 -0.34 118.68 128.14 3bza s LEU 23 Ca 0.04 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 3bza s LEU 23 Cb -0.17 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3bza s LEU 23 CO 0.06 0.13 1.00 -0.69 0.23 0.00 0.00 176.35 177.08 3bza s VAL 24 N 0.62 4.63 0.10 -1.59 1.01 0.68 -1.05 120.40 124.80 3bza s VAL 24 Ca 0.01 1.98 0.06 0.00 0.00 0.00 0.00 61.98 64.04 3bza s VAL 24 Cb -0.14 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3bza s VAL 24 CO 0.02 0.21 -0.16 0.68 0.00 0.00 0.00 175.10 175.85 3bza s VAL 25 N 0.66 1.33 -0.05 2.92 -7.23 0.30 -2.70 120.40 115.64 3bza s VAL 25 Ca 0.51 -1.51 0.08 0.00 -1.81 0.00 0.00 61.98 59.26 3bza s VAL 25 Cb -0.23 -1.35 -0.24 0.00 0.56 0.00 0.00 36.38 35.13 3bza s VAL 25 CO 0.29 -0.25 0.65 0.71 -0.31 0.00 0.00 175.10 176.19 3bza h THR 26 N 3.96 0.86 -3.30 5.32 1.35 -1.87 -1.11 112.91 118.13 3bza h THR 26 Ca -0.42 -2.68 -0.59 0.00 -0.55 0.00 0.00 66.41 62.18 3bza h THR 26 Cb 1.19 2.47 -0.40 0.00 -1.73 0.00 0.00 68.15 69.68 3bza h THR 26 CO 0.44 0.59 -0.76 -0.62 -0.25 0.00 0.00 175.52 174.92 3bza s ASP 27 N -6.31 3.94 0.33 5.36 -1.08 -1.26 -4.76 116.67 112.88 3bza s ASP 27 Ca -0.07 -1.52 0.04 0.00 -0.52 0.00 0.00 52.55 50.48 3bza s ASP 27 Cb 0.08 -0.96 0.58 0.00 -1.46 0.00 0.00 42.92 41.16 3bza s ASP 27 CO 0.82 -0.37 1.86 0.25 0.52 0.00 0.00 175.17 178.24 3bza h LEU 28 N 8.04 0.48 -0.25 -1.34 5.85 -1.95 -1.76 115.31 124.37 3bza h LEU 28 Ca -0.13 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3bza h LEU 28 Cb 1.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3bza h LEU 28 CO 0.45 0.58 0.07 0.00 -0.34 0.00 0.00 178.44 179.19 3bza h ALA 29 N 1.48 0.33 -0.45 1.25 0.00 -1.97 -0.11 119.26 119.79 3bza h ALA 29 Ca 0.10 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3bza h ALA 29 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3bza h ALA 29 CO 0.02 -0.02 -0.11 0.87 0.00 0.00 0.00 179.25 180.01 3bza h LYS 30 N 0.24 0.82 -0.53 0.00 1.57 -1.93 -1.05 116.57 115.69 3bza h LYS 30 Ca 0.08 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 3bza h LYS 30 Cb 0.27 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3bza h LYS 30 CO -0.00 0.89 0.06 0.77 -0.57 0.00 0.00 179.45 180.60 3bza h SER 31 N 0.74 0.86 -0.60 0.86 0.02 -1.26 -2.35 113.55 111.83 3bza h SER 31 Ca 0.12 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3bza h SER 31 Cb 0.60 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3bza h SER 31 CO 0.04 0.92 0.39 -0.09 -1.14 0.00 0.00 176.83 176.95 3bza h ARG 32 N 0.77 0.79 -0.34 3.45 2.43 -0.66 -0.67 114.38 120.15 3bza h ARG 32 Ca 0.16 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3bza h ARG 32 Cb 0.45 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 3bza h ARG 32 CO 0.02 0.53 -0.12 -0.97 -1.51 0.00 0.00 179.97 177.91 3bza h ASN 33 N 0.81 -0.43 0.33 -3.80 -1.24 -1.00 0.66 115.58 110.90 3bza h ASN 33 Ca 0.22 0.12 -0.02 0.00 0.71 0.00 0.00 56.30 57.33 3bza h ASN 33 Cb -0.08 0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.22 3bza h ASN 33 CO -0.05 -0.16 -0.16 0.15 -1.29 0.00 0.00 177.43 175.93 3bza h PHE 34 N -0.05 -0.41 0.00 0.67 3.57 -0.86 0.13 116.94 119.99 3bza h PHE 34 Ca 0.17 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.45 3bza h PHE 34 Cb 0.31 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3bza h PHE 34 CO -0.34 -0.23 -1.05 1.88 -2.23 0.00 0.00 178.31 176.33 3bza h TYR 35 N -0.47 0.00 0.00 0.41 0.05 -0.97 -1.18 116.97 114.81 3bza h TYR 35 Ca -0.04 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.63 3bza h TYR 35 Cb 0.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 3bza h TYR 35 CO -0.05 0.95 -1.19 0.28 -1.05 0.00 0.00 178.16 177.10 3bza n VAL 36 N -3.29 1.49 0.03 -2.88 0.31 0.21 -1.41 118.33 112.79 3bza n VAL 36 Ca -0.02 0.05 -0.15 0.00 -0.01 0.00 0.00 64.34 64.21 3bza n VAL 36 Cb 0.94 -2.25 -0.04 0.00 -0.91 0.00 0.00 33.84 31.57 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 0.72 0.00 4.52 3.32 -0.90 -0.15 116.42 122.93 3bza h ASP 37 Ca -0.15 -0.51 -0.05 0.00 0.02 0.00 0.00 57.03 56.34 3bza h ASP 37 Cb 1.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3bza h ASP 37 CO -0.09 1.30 -0.31 0.58 -1.72 0.00 0.00 179.24 178.99 3bza h VAL 38 N 0.38 1.05 0.00 -1.35 2.07 -0.62 -3.40 116.25 114.37 3bza h VAL 38 Ca -0.07 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.56 3bza h VAL 38 Cb 1.47 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 3bza h VAL 38 CO 0.16 0.36 -0.76 -0.07 0.02 0.00 0.00 177.57 177.27 3bza h LEU 39 N -1.00 0.00 0.46 2.57 3.38 -1.33 -3.49 115.31 115.90 3bza h LEU 39 Ca -0.07 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 3bza h LEU 39 Cb 0.80 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 3bza h LEU 39 CO -0.04 0.12 -0.14 0.61 0.09 0.00 0.00 178.44 179.07 3bza n GLY 40 N 1.33 0.80 3.73 0.83 0.00 -0.07 -4.51 105.19 107.30 3bza n GLY 40 Ca 0.03 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.73 3.15 -0.21 0.99 1.43 -0.50 -4.86 118.68 116.96 3bza s LEU 41 Ca 0.00 2.15 -0.09 0.00 -1.03 0.00 0.00 54.13 55.16 3bza s LEU 41 Cb 0.00 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 3bza s LEU 41 CO 0.00 -2.33 0.11 -1.00 0.23 0.00 0.00 176.35 173.36 3bza s HIS 42 N -2.39 3.30 -0.15 0.29 3.76 -0.44 -4.64 115.29 115.02 3bza s HIS 42 Ca 0.69 0.16 -0.29 0.00 -0.15 0.00 0.00 55.06 55.46 3bza s HIS 42 Cb -0.24 -2.17 -0.01 0.00 1.11 0.00 0.00 32.58 31.27 3bza s HIS 42 CO 0.50 0.14 1.18 0.08 -0.85 0.00 0.00 174.74 175.79 3bza s VAL 43 N 0.65 4.40 -0.11 -0.90 1.01 -1.26 -0.49 120.40 123.70 3bza s VAL 43 Ca 0.06 1.70 0.16 0.00 0.00 0.00 0.00 61.98 63.89 3bza s VAL 43 Cb -0.12 -4.09 -0.22 0.00 0.00 0.00 0.00 36.38 31.95 3bza s VAL 43 CO 0.01 -0.11 0.54 -1.20 0.00 0.00 0.00 175.10 174.34 3bza n SER 44 N 6.15 0.59 -3.62 3.32 7.64 0.03 -4.96 113.62 122.77 3bza n SER 44 Ca 0.13 0.27 -0.07 0.00 1.01 0.00 0.00 58.87 60.20 3bza n SER 44 Cb 0.46 0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 63.99 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 -2.71 -0.29 -0.02 1.43 5.04 -1.20 -5.01 117.35 114.60 3bza s TYR 45 Ca -0.06 0.61 -0.18 0.00 -2.44 0.00 0.00 57.07 55.00 3bza s TYR 45 Cb 0.08 0.44 0.03 0.00 0.35 0.00 0.00 41.96 42.86 3bza s TYR 45 CO 0.83 -0.20 0.38 -1.83 -1.34 0.00 0.00 175.55 173.39 3bza s GLU 46 N -0.47 0.76 0.00 4.97 -1.05 -1.26 -0.27 118.70 121.38 3bza s GLU 46 Ca 0.03 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.72 3bza s GLU 46 Cb -0.03 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 3bza s GLU 46 CO -0.06 -0.22 0.00 -0.40 0.95 0.00 0.00 175.26 175.54 3bza n ASP 47 N 1.14 0.00 0.09 0.83 5.68 -0.41 -5.01 116.55 118.88 3bza n ASP 47 Ca -0.21 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.20 3bza n ASP 47 Cb 0.56 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.00 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 0.18 -0.08 0.11 0.00 -1.26 -3.87 120.64 115.72 3bza n GLU 48 Ca 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 57.16 57.33 3bza n GLU 48 Cb 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 31.44 29.57 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 -2.10 2.02 -3.97 -1.84 3.02 -1.26 -4.93 115.26 106.20 3bza n ASN 49 Ca 0.04 -0.05 -0.09 0.00 -0.03 0.00 0.00 54.58 54.45 3bza n ASN 49 Cb 0.32 0.27 -0.11 0.00 -0.61 0.00 0.00 39.78 39.65 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 -2.36 0.38 -0.11 3.52 -0.21 -1.25 -1.10 119.66 118.53 3bza s GLN 50 Ca -0.16 -0.64 0.01 0.00 0.02 0.00 0.00 55.36 54.59 3bza s GLN 50 Cb 0.05 0.14 0.02 0.00 1.00 0.00 0.00 33.01 34.22 3bza s GLN 50 CO 0.51 -0.07 -0.13 0.42 -2.12 0.00 0.00 175.29 173.89 3bza s ILE 51 N -1.73 1.39 -0.23 1.08 1.01 -0.17 -1.29 121.20 121.26 3bza s ILE 51 Ca -0.13 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 3bza s ILE 51 Cb -0.08 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 3bza s ILE 51 CO -0.02 0.42 0.10 -0.31 0.00 0.00 0.00 174.94 175.13 3bza s TYR 52 N 1.14 3.20 0.08 3.97 2.02 0.63 -0.70 117.35 127.69 3bza s TYR 52 Ca -0.04 -0.05 0.07 0.00 -0.37 0.00 0.00 57.07 56.68 3bza s TYR 52 Cb -0.14 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 3bza s TYR 52 CO -0.03 -0.07 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.18 3bza s LEU 53 N 1.08 2.27 0.08 -1.29 1.43 0.77 -0.79 118.68 122.24 3bza s LEU 53 Ca 0.05 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3bza s LEU 53 Cb -0.14 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 3bza s LEU 53 CO 0.04 0.04 -0.01 0.00 0.23 0.00 0.00 176.35 176.64 3bza s ARG 54 N -1.74 0.75 0.72 1.70 1.70 0.36 -0.34 118.95 122.09 3bza s ARG 54 Ca 0.04 -1.31 -0.09 0.00 -0.47 0.00 0.00 55.73 53.90 3bza s ARG 54 Cb -0.10 0.13 0.05 0.00 -0.57 0.00 0.00 34.95 34.46 3bza s ARG 54 CO 0.03 -0.13 1.07 -1.54 -1.08 0.00 0.00 175.30 173.65 3bza s SER 55 N -2.98 4.92 0.36 -2.89 1.04 -1.26 -1.33 113.70 111.55 3bza s SER 55 Ca 0.13 0.71 0.03 0.00 0.48 0.00 0.00 55.95 57.30 3bza s SER 55 Cb 0.07 -1.38 0.68 0.00 0.10 0.00 0.00 66.02 65.49 3bza s SER 55 CO -0.06 -1.59 2.00 0.15 0.98 0.00 0.00 173.24 174.73 3bza h PHE 56 N -0.71 0.77 -0.43 5.02 3.57 -1.35 -2.74 116.94 121.07 3bza h PHE 56 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3bza h PHE 56 Cb 1.30 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3bza h PHE 56 CO 0.37 0.47 0.00 0.39 -2.23 0.00 0.00 178.31 177.31 3bza n GLU 57 N -4.45 2.47 -2.75 1.11 1.02 -0.65 -2.18 120.64 115.21 3bza n GLU 57 Ca 0.07 -2.27 -0.39 0.00 -0.02 0.00 0.00 57.16 54.55 3bza n GLU 57 Cb 0.08 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.30 4.79 -0.01 3.49 2.56 -1.04 -4.78 118.70 122.42 3bza s GLU 58 Ca 0.37 1.46 0.08 0.00 0.00 0.00 0.00 54.97 56.88 3bza s GLU 58 Cb 0.21 -3.17 -0.12 0.00 2.00 0.00 0.00 34.13 33.05 3bza s GLU 58 CO 0.29 0.46 0.17 1.97 -0.56 0.00 0.00 175.26 177.60 3bza n PHE 59 N 1.27 0.00 -1.31 5.30 -1.74 -1.26 -4.21 117.46 115.51 3bza n PHE 59 Ca -0.01 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.58 3bza n PHE 59 Cb 0.48 -0.19 0.13 0.00 1.52 0.00 0.00 39.48 41.42 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 -2.55 2.64 0.28 1.97 -4.36 -1.26 -1.00 121.20 116.92 3bza s ILE 60 Ca -0.03 0.21 -0.01 0.00 -0.26 0.00 0.00 60.65 60.56 3bza s ILE 60 Cb 0.05 -2.78 0.28 0.00 1.25 0.00 0.00 42.46 41.26 3bza s ILE 60 CO 0.34 -0.27 1.89 -0.74 0.24 0.00 0.00 174.94 176.39 3bza h HIS 61 N -1.48 1.14 -2.79 1.37 -0.00 -1.58 -3.42 115.15 108.39 3bza h HIS 61 Ca -0.50 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 59.92 3bza h HIS 61 Cb 1.29 -0.37 -0.13 0.00 -0.00 0.00 0.00 27.41 28.20 3bza h HIS 61 CO 0.41 0.57 0.29 -3.38 -0.00 0.00 0.00 177.93 175.82 3bza s HIS 62 N -5.97 -0.49 -0.30 5.26 0.00 -1.26 -4.72 115.29 107.81 3bza s HIS 62 Ca -0.12 0.31 0.07 0.00 -3.00 0.00 0.00 55.06 52.32 3bza s HIS 62 Cb 0.20 0.55 -0.08 0.00 -4.00 0.00 0.00 32.58 29.26 3bza s HIS 62 CO 0.81 -0.76 0.28 0.09 -1.00 0.00 0.00 174.74 174.16 3bza n ASN 63 N -0.33 0.58 -3.69 7.38 5.03 0.53 -4.61 115.26 120.16 3bza n ASN 63 Ca -0.15 -0.61 -0.10 0.00 0.87 0.00 0.00 54.58 54.60 3bza n ASN 63 Cb 0.64 1.03 -0.10 0.00 -1.02 0.00 0.00 39.78 40.33 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 -0.24 -0.13 3.41 2.96 -0.80 -2.33 118.68 119.13 3bza s LEU 64 Ca 0.02 0.99 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 3bza s LEU 64 Cb 0.05 1.50 -0.00 0.00 0.50 0.00 0.00 46.19 48.24 3bza s LEU 64 CO 0.28 -0.20 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.25 3bza s VAL 65 N 1.48 2.57 -0.23 1.68 1.01 -0.09 -0.16 120.40 126.65 3bza s VAL 65 Ca -0.09 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3bza s VAL 65 Cb -0.08 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3bza s VAL 65 CO -0.14 0.53 0.01 -0.76 0.00 0.00 0.00 175.10 174.74 3bza s LEU 66 N 0.52 3.16 -0.16 3.92 1.43 0.12 -0.39 118.68 127.28 3bza s LEU 66 Ca -0.11 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3bza s LEU 66 Cb -0.16 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.25 3bza s LEU 66 CO 0.04 -0.02 -0.18 -0.89 0.23 0.00 0.00 176.35 175.53 3bza s THR 67 N 1.50 1.88 0.21 5.49 2.01 -0.22 -1.00 115.64 125.51 3bza s THR 67 Ca 0.06 -0.83 -0.31 0.00 0.31 0.00 0.00 61.69 60.91 3bza s THR 67 Cb -0.15 -1.70 -0.10 0.00 0.01 0.00 0.00 72.50 70.56 3bza s THR 67 CO 0.00 0.51 1.54 -0.75 -0.69 0.00 0.00 174.62 175.23 3bza s LYS 68 N 1.25 4.22 0.25 4.92 2.20 -0.26 -0.54 119.74 131.77 3bza s LYS 68 Ca 0.02 2.38 -0.19 0.00 -0.36 0.00 0.00 55.97 57.82 3bza s LYS 68 Cb -0.13 -3.12 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 3bza s LYS 68 CO -0.10 -0.56 0.63 0.20 -0.36 0.00 0.00 175.35 175.16 3bza s GLY 69 N 0.82 0.02 0.28 5.54 0.00 -0.42 -4.84 107.32 108.72 3bza s GLY 69 Ca 0.66 -0.37 0.13 0.00 0.00 0.00 0.00 44.72 45.14 3bza s GLY 69 CO 0.37 -0.22 1.59 -0.56 0.00 0.00 0.00 173.10 174.28 3bza h PRO 70 N 2.09 0.00 -4.19 2.90 0.13 -1.94 -3.37 132.00 127.62 3bza h PRO 70 Ca -0.23 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.40 3bza h PRO 70 Cb 1.26 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.02 3bza h PRO 70 CO 0.29 0.59 -0.80 0.08 -0.23 0.00 0.00 178.00 177.93 3bza s VAL 71 N -3.45 0.91 0.17 1.56 1.01 -1.26 -4.95 120.40 114.39 3bza s VAL 71 Ca -0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 3bza s VAL 71 Cb 0.11 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.46 3bza s VAL 71 CO 0.75 0.34 1.55 0.00 0.00 0.00 0.00 175.10 177.73 3bza s ALA 72 N 1.52 3.76 -0.12 5.51 0.00 -1.26 -4.77 121.76 126.40 3bza s ALA 72 Ca 0.01 1.35 -0.33 0.00 0.00 0.00 0.00 51.96 52.99 3bza s ALA 72 Cb -0.13 -3.61 0.13 0.00 0.00 0.00 0.00 23.12 19.50 3bza s ALA 72 CO -0.05 -0.77 1.13 0.00 0.00 0.00 0.00 175.76 176.07 3bza s ALA 73 N 1.07 -2.01 -0.02 0.00 0.00 -1.10 -4.48 121.76 115.22 3bza s ALA 73 Ca 0.69 1.34 -0.30 0.00 0.00 0.00 0.00 51.96 53.69 3bza s ALA 73 Cb -0.43 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 3bza s ALA 73 CO 0.32 -0.67 1.26 -1.17 0.00 0.00 0.00 175.76 175.51 3bza s LEU 74 N -2.34 4.31 -0.13 0.00 2.96 0.15 -0.23 118.68 123.40 3bza s LEU 74 Ca 0.09 1.94 0.02 0.00 -0.22 0.00 0.00 54.13 55.96 3bza s LEU 74 Cb -0.01 -3.56 -0.24 0.00 0.50 0.00 0.00 46.19 42.88 3bza s LEU 74 CO -0.05 -0.61 0.33 1.17 -1.32 0.00 0.00 176.35 175.87 3bza n LYS 75 N 5.04 0.70 -3.63 1.98 4.81 0.54 -1.10 118.16 126.50 3bza n LYS 75 Ca 0.11 0.23 -0.11 0.00 -0.87 0.00 0.00 58.31 57.67 3bza n LYS 75 Cb 0.45 -1.69 -0.07 0.00 0.02 0.00 0.00 35.03 33.75 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 -2.56 -1.87 -0.27 3.14 0.00 -1.12 -4.77 121.76 114.31 3bza s ALA 76 Ca -0.18 2.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.75 3bza s ALA 76 Cb 0.07 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 3bza s ALA 76 CO 0.76 -0.33 0.20 -1.64 0.00 0.00 0.00 175.76 174.76 3bza s MET 77 N 0.66 3.99 -0.13 0.00 -1.94 -0.16 -0.49 119.30 121.22 3bza s MET 77 Ca -0.02 -0.27 -0.03 0.00 -1.71 0.00 0.00 55.69 53.66 3bza s MET 77 Cb -0.05 -3.63 -0.03 0.00 2.01 0.00 0.00 34.83 33.13 3bza s MET 77 CO -0.06 -0.13 -0.02 0.00 -0.01 0.00 0.00 175.02 174.80 3bza s ALA 78 N 1.62 3.13 -0.10 3.03 0.00 0.67 -0.17 121.76 129.93 3bza s ALA 78 Ca 0.08 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3bza s ALA 78 Cb -0.15 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 3bza s ALA 78 CO 0.09 0.33 -0.10 -0.06 0.00 0.00 0.00 175.76 176.03 3bza s PHE 79 N -0.05 2.85 0.12 0.00 0.08 -0.00 -0.79 117.98 120.19 3bza s PHE 79 Ca 0.02 -0.32 -0.25 0.00 0.12 0.00 0.00 56.93 56.50 3bza s PHE 79 Cb -0.13 -1.79 -0.07 0.00 -0.57 0.00 0.00 43.02 40.47 3bza s PHE 79 CO 0.02 0.03 0.78 0.50 -0.10 0.00 0.00 175.22 176.45 3bza s ARG 80 N -0.16 4.54 0.34 0.44 3.52 -0.74 -2.81 118.95 124.09 3bza s ARG 80 Ca 0.01 1.13 0.07 0.00 -0.13 0.00 0.00 55.73 56.81 3bza s ARG 80 Cb -0.13 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 3bza s ARG 80 CO 0.03 0.46 0.31 0.14 -0.81 0.00 0.00 175.30 175.43 3bza s VAL 81 N -0.72 3.45 0.18 7.11 -7.23 -0.12 -0.14 120.40 122.93 3bza s VAL 81 Ca 0.37 -1.35 -0.03 0.00 -1.81 0.00 0.00 61.98 59.16 3bza s VAL 81 Cb -0.22 -3.17 -0.08 0.00 0.56 0.00 0.00 36.38 33.47 3bza s VAL 81 CO 0.25 -0.15 1.47 -0.09 -0.31 0.00 0.00 175.10 176.27 3bza h ARG 82 N 1.21 0.50 -4.14 4.82 2.43 -1.46 -3.42 114.38 114.31 3bza h ARG 82 Ca -0.44 -0.35 -0.12 0.00 -0.81 0.00 0.00 59.98 58.25 3bza h ARG 82 Cb 1.26 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.70 3bza h ARG 82 CO 0.58 0.97 -0.64 0.95 -1.51 0.00 0.00 179.97 180.32 3bza s THR 83 N -3.83 0.19 0.30 0.20 -4.23 -1.26 -5.04 115.64 101.97 3bza s THR 83 Ca -0.07 -1.60 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 3bza s THR 83 Cb 0.11 -1.33 0.29 0.00 1.34 0.00 0.00 72.50 72.91 3bza s THR 83 CO 0.84 -0.89 1.74 -0.65 -0.54 0.00 0.00 174.62 175.13 3bza h PRO 84 N 3.31 0.59 0.00 3.99 0.11 -1.96 0.05 132.00 138.09 3bza h PRO 84 Ca -0.34 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 3bza h PRO 84 Cb 1.16 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3bza h PRO 84 CO 0.61 0.39 -0.01 0.93 -0.21 0.00 0.00 178.00 179.71 3bza h GLU 85 N 0.61 0.00 0.00 1.05 3.07 -1.99 -2.04 114.58 115.28 3bza h GLU 85 Ca 0.57 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.39 3bza h GLU 85 Cb 0.98 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 3bza h GLU 85 CO -0.44 0.01 -0.18 -0.44 -1.40 0.00 0.00 179.01 176.56 3bza h ASP 86 N 0.00 0.00 -0.33 1.42 3.32 -1.38 -1.71 116.42 117.74 3bza h ASP 86 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3bza h ASP 86 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3bza h ASP 86 CO 0.00 0.18 -0.31 0.58 -1.72 0.00 0.00 179.24 177.98 3bza h VAL 87 N 0.00 1.29 -0.57 -1.35 2.07 -1.44 -0.50 116.25 115.75 3bza h VAL 87 Ca -0.00 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.08 3bza h VAL 87 Cb 0.72 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 3bza h VAL 87 CO 0.02 0.48 0.31 0.44 0.02 0.00 0.00 177.57 178.85 3bza h ASP 88 N 0.57 0.47 -0.66 0.57 3.32 -1.60 -2.04 116.42 117.06 3bza h ASP 88 Ca 0.05 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3bza h ASP 88 Cb 0.89 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 3bza h ASP 88 CO 0.08 0.32 0.42 0.11 -1.72 0.00 0.00 179.24 178.44 3bza h LYS 89 N 0.60 0.80 -0.72 3.56 1.57 -1.09 -1.62 116.57 119.67 3bza h LYS 89 Ca 0.25 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 3bza h LYS 89 Cb 0.12 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 3bza h LYS 89 CO -0.15 0.53 0.42 0.00 -0.57 0.00 0.00 179.45 179.68 3bza h ALA 90 N 1.27 0.97 -0.34 3.86 0.00 -0.92 -0.78 119.26 123.31 3bza h ALA 90 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3bza h ALA 90 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3bza h ALA 90 CO -0.09 0.13 0.08 1.49 0.00 0.00 0.00 179.25 180.86 3bza h GLU 91 N 0.78 0.55 -0.45 0.00 4.81 -0.77 -1.74 114.58 117.77 3bza h GLU 91 Ca 0.31 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3bza h GLU 91 Cb 0.16 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3bza h GLU 91 CO -0.17 0.61 0.02 0.00 -0.73 0.00 0.00 179.01 178.73 3bza h ALA 92 N 0.92 1.19 0.13 2.92 0.00 -1.10 -1.29 119.26 122.03 3bza h ALA 92 Ca 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3bza h ALA 92 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3bza h ALA 92 CO 0.00 0.53 -0.06 -0.92 0.00 0.00 0.00 179.25 178.80 3bza h TYR 93 N 0.68 -0.17 -0.01 0.00 3.20 -0.92 -1.69 116.97 118.07 3bza h TYR 93 Ca 0.14 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 3bza h TYR 93 Cb 0.40 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3bza h TYR 93 CO 0.02 0.16 -0.60 1.88 -1.64 0.00 0.00 178.16 177.98 3bza h TYR 94 N -0.51 0.03 -0.24 -3.82 0.05 -1.31 -1.44 116.97 109.73 3bza h TYR 94 Ca -0.02 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3bza h TYR 94 Cb 0.40 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 3bza h TYR 94 CO 0.03 0.62 0.11 1.96 -1.05 0.00 0.00 178.16 179.83 3bza h GLN 95 N 0.02 0.36 -0.94 4.88 4.20 -1.26 0.04 115.11 122.42 3bza h GLN 95 Ca -0.01 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.70 3bza h GLN 95 Cb 1.07 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.73 3bza h GLN 95 CO 0.08 0.38 0.61 1.49 -0.67 0.00 0.00 178.83 180.72 3bza h GLU 96 N 0.25 1.07 0.00 1.46 4.81 -1.00 0.29 114.58 121.46 3bza h GLU 96 Ca 0.08 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3bza h GLU 96 Cb 0.15 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3bza h GLU 96 CO -0.01 0.71 0.00 1.28 -0.73 0.00 0.00 179.01 180.26 3bza n LEU 97 N -4.48 0.56 0.00 1.64 4.77 -0.57 -4.87 117.00 114.06 3bza n LEU 97 Ca 0.14 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 3bza n LEU 97 Cb 0.17 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3bza n LEU 97 CO 0.33 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.42 3bza n GLY 98 N -0.22 0.62 3.86 -0.72 0.00 0.09 -5.05 105.19 103.77 3bza n GLY 98 Ca 0.02 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.92 4.30 0.11 0.00 3.52 -1.26 -4.45 118.95 118.25 3bza s ARG 100 Ca 0.52 2.16 0.06 0.00 -0.13 0.00 0.00 55.73 58.34 3bza s ARG 100 Cb -0.11 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 3bza s ARG 100 CO 0.19 -0.44 -0.16 0.95 -0.81 0.00 0.00 175.30 175.04 3bza s THR 101 N 0.78 1.38 -0.03 4.11 -4.23 -1.26 -1.73 115.64 114.66 3bza s THR 101 Ca 0.64 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 3bza s THR 101 Cb -0.39 -1.46 0.03 0.00 1.34 0.00 0.00 72.50 72.02 3bza s THR 101 CO 0.34 -0.31 0.01 -0.70 -0.54 0.00 0.00 174.62 173.41 3bza s GLU 102 N -2.35 0.28 -0.12 3.99 2.12 0.65 -4.99 118.70 118.28 3bza s GLU 102 Ca 0.07 0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.49 3bza s GLU 102 Cb -0.07 -0.51 -0.02 0.00 0.26 0.00 0.00 34.13 33.79 3bza s GLU 102 CO 0.03 -0.16 -0.09 0.50 -0.54 0.00 0.00 175.26 175.00 3bza s ARG 103 N 1.16 3.26 -0.20 4.30 6.06 -1.26 -0.76 118.95 131.50 3bza s ARG 103 Ca -0.08 -0.62 -0.01 0.00 -2.50 0.00 0.00 55.73 52.53 3bza s ARG 103 Cb -0.13 -2.68 0.05 0.00 0.06 0.00 0.00 34.95 32.26 3bza s ARG 103 CO -0.02 0.35 -0.02 1.03 -2.50 0.00 0.00 175.30 174.14 3bza s ARG 104 N 0.03 1.19 0.54 5.12 0.52 -0.30 -5.01 118.95 121.03 3bza s ARG 104 Ca -0.03 -0.64 0.20 0.00 -0.52 0.00 0.00 55.73 54.75 3bza s ARG 104 Cb -0.14 -2.23 1.41 0.00 0.52 0.00 0.00 34.95 34.51 3bza s ARG 104 CO 0.04 -0.57 2.17 1.57 0.02 0.00 0.00 175.30 178.53 3bza h LYS 105 N 8.11 0.00 -0.38 3.54 2.10 -1.89 -1.10 116.57 126.95 3bza h LYS 105 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 3bza h LYS 105 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3bza h LYS 105 CO 0.38 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.59 3bza n ASP 106 N -4.34 3.69 0.00 7.07 9.92 -1.26 -1.96 116.55 129.67 3bza n ASP 106 Ca -0.03 -2.48 0.00 0.00 -0.53 0.00 0.00 54.79 51.75 3bza n ASP 106 Cb 0.09 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.15 3bza n ASP 106 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3bza n GLY 107 N 0.26 -0.17 0.08 0.44 0.00 -0.86 -4.65 105.19 100.28 3bza n GLY 107 Ca 0.18 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.03 0.40 -4.28 1.61 3.72 -1.26 -4.91 117.46 112.71 3bza n PHE 108 Ca 0.00 0.13 -0.15 0.00 -0.05 0.00 0.00 57.45 57.38 3bza n PHE 108 Cb 0.00 -0.92 -0.10 0.00 -0.94 0.00 0.00 39.48 37.52 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 1.15 0.58 -4.37 -7.23 -1.26 -5.13 120.40 101.24 3bza s VAL 109 Ca -0.07 -2.06 -0.20 0.00 -1.81 0.00 0.00 61.98 57.84 3bza s VAL 109 Cb 0.09 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 3bza s VAL 109 CO 0.84 -0.60 1.32 -0.54 -0.31 0.00 0.00 175.10 175.81 3bza s LYS 110 N -3.78 2.97 0.00 4.82 1.02 -1.26 -3.03 119.74 120.48 3bza s LYS 110 Ca 0.21 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.33 3bza s LYS 110 Cb 0.03 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3bza s LYS 110 CO 0.04 -1.29 0.00 0.41 -0.92 0.00 0.00 175.35 173.59 3bza n GLY 111 N 0.75 0.73 3.24 -3.33 0.00 -1.26 -4.97 105.19 100.34 3bza n GLY 111 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.92 1.72 0.00 -0.61 -1.09 -1.17 -1.42 121.20 115.71 3bza s ILE 112 Ca 0.00 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 3bza s ILE 112 Cb 0.00 -1.43 0.00 0.00 -1.58 0.00 0.00 42.46 39.45 3bza s ILE 112 CO 0.00 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 3bza n GLY 113 N 2.48 1.47 3.68 6.18 0.00 -0.28 -3.96 105.19 114.76 3bza n GLY 113 Ca -0.16 -1.39 -0.57 0.00 0.00 0.00 0.00 46.02 43.90 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 2.15 -3.78 1.61 2.03 -0.83 -2.41 116.55 115.32 3bza n ASP 114 Ca 0.00 1.09 -0.13 0.00 0.52 0.00 0.00 54.79 56.27 3bza n ASP 114 Cb 0.00 -1.14 -0.10 0.00 -0.72 0.00 0.00 41.12 39.16 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 2.80 -0.68 -0.18 -1.67 0.00 -0.47 -4.04 121.76 117.53 3bza s ALA 115 Ca 0.95 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 3bza s ALA 115 Cb -1.06 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 3bza s ALA 115 CO 0.62 -0.19 -0.12 -1.17 0.00 0.00 0.00 175.76 174.89 3bza s LEU 116 N -0.66 2.58 -0.00 0.00 2.96 -0.09 -1.15 118.68 122.32 3bza s LEU 116 Ca -0.08 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 3bza s LEU 116 Cb -0.04 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3bza s LEU 116 CO 0.02 0.05 0.09 -0.13 -1.32 0.00 0.00 176.35 175.06 3bza s ARG 117 N 1.05 3.10 0.02 1.98 0.52 0.06 -0.38 118.95 125.29 3bza s ARG 117 Ca -0.01 -0.47 -0.00 0.00 -0.52 0.00 0.00 55.73 54.73 3bza s ARG 117 Cb -0.15 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 3bza s ARG 117 CO -0.03 0.65 -0.02 0.14 0.02 0.00 0.00 175.30 176.06 3bza s VAL 118 N -1.21 0.10 -0.58 3.52 -7.23 0.10 -0.26 120.40 114.85 3bza s VAL 118 Ca 0.23 -0.86 -0.20 0.00 -1.81 0.00 0.00 61.98 59.34 3bza s VAL 118 Cb -0.12 -0.26 0.08 0.00 0.56 0.00 0.00 36.38 36.64 3bza s VAL 118 CO 0.14 -0.47 0.77 -1.61 -0.31 0.00 0.00 175.10 173.62 3bza s GLU 119 N -1.39 3.10 0.93 4.82 2.02 -0.70 -1.71 118.70 125.76 3bza s GLU 119 Ca -0.15 -1.01 -0.13 0.00 0.02 0.00 0.00 54.97 53.70 3bza s GLU 119 Cb -0.09 -4.20 0.15 0.00 0.10 0.00 0.00 34.13 30.09 3bza s GLU 119 CO -0.01 -1.53 1.16 0.16 0.02 0.00 0.00 175.26 175.06 3bza s ASP 120 N 3.35 3.38 0.62 -0.19 -4.77 0.03 -4.16 116.67 114.93 3bza s ASP 120 Ca 0.17 0.85 0.31 0.00 -3.30 0.00 0.00 52.55 50.57 3bza s ASP 120 Cb -0.20 -1.33 1.72 0.00 -1.09 0.00 0.00 42.92 42.02 3bza s ASP 120 CO 0.10 -2.62 2.06 -0.65 0.70 0.00 0.00 175.17 174.76 3bza h PRO 121 N -1.55 0.00 -0.25 2.11 0.11 -1.97 0.25 132.00 130.70 3bza h PRO 121 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 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 0.58 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.65 3bza n LEU 122 N -3.48 2.23 0.00 2.35 4.77 -1.26 -4.93 117.00 116.68 3bza n LEU 122 Ca 0.01 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 3bza n LEU 122 Cb 0.36 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3bza n LEU 122 CO 0.23 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3bza n GLY 123 N 1.24 0.69 3.83 -0.72 0.00 0.86 -4.29 105.19 106.80 3bza n GLY 123 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.18 3.75 -0.74 1.61 0.08 -1.26 -4.70 117.98 114.54 3bza s PHE 124 Ca 0.00 1.09 -0.24 0.00 0.12 0.00 0.00 56.93 57.89 3bza s PHE 124 Cb 0.00 -2.36 0.05 0.00 -0.57 0.00 0.00 43.02 40.15 3bza s PHE 124 CO 0.00 0.62 1.16 -1.25 -0.10 0.00 0.00 175.22 175.66 3bza s PRO 125 N -1.11 3.22 0.00 0.24 0.04 -1.26 -0.79 135.00 135.34 3bza s PRO 125 Ca 0.26 -0.63 -0.13 0.00 0.04 0.00 0.00 61.00 60.53 3bza s PRO 125 Cb -0.18 -4.35 -0.06 0.00 0.04 0.00 0.00 34.50 29.96 3bza s PRO 125 CO 0.15 -2.01 0.38 0.71 0.04 0.00 0.00 177.00 176.27 3bza s TYR 126 N 4.85 3.69 -0.03 0.56 1.51 -0.69 -0.99 117.35 126.25 3bza s TYR 126 Ca 0.31 0.91 0.04 0.00 -1.01 0.00 0.00 57.07 57.32 3bza s TYR 126 Cb -0.11 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 3bza s TYR 126 CO 0.09 0.63 -0.15 -2.00 -1.11 0.00 0.00 175.55 173.02 3bza s GLU 127 N -1.22 2.41 -0.06 -0.62 2.12 0.76 -0.72 118.70 121.37 3bza s GLU 127 Ca 0.24 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.86 3bza s GLU 127 Cb -0.16 -2.34 -0.00 0.00 0.26 0.00 0.00 34.13 31.89 3bza s GLU 127 CO 0.13 0.60 -0.21 -0.06 -0.54 0.00 0.00 175.26 175.18 3bza s PHE 128 N -0.78 2.13 0.05 5.30 0.08 0.49 -0.82 117.98 124.42 3bza s PHE 128 Ca 0.12 -0.68 -0.18 0.00 0.12 0.00 0.00 56.93 56.32 3bza s PHE 128 Cb -0.11 -1.42 0.04 0.00 -0.57 0.00 0.00 43.02 40.96 3bza s PHE 128 CO 0.02 -0.23 0.41 -0.59 -0.10 0.00 0.00 175.22 174.73 3bza s PHE 129 N 0.03 -0.26 -0.14 0.36 -0.71 -1.12 -0.91 117.98 115.23 3bza s PHE 129 Ca -0.07 0.21 -0.08 0.00 -1.04 0.00 0.00 56.93 55.96 3bza s PHE 129 Cb -0.14 0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 41.83 3bza s PHE 129 CO 0.04 -0.57 -0.20 0.34 -1.34 0.00 0.00 175.22 173.49 3bza n PHE 130 N 0.50 0.00 -2.00 3.49 7.35 -1.26 -0.95 117.46 124.59 3bza n PHE 130 Ca -0.18 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.08 3bza n PHE 130 Cb 0.60 -0.51 -0.03 0.00 0.35 0.00 0.00 39.48 39.89 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 -2.31 4.23 -0.08 -4.13 2.02 -1.26 -4.91 118.70 112.26 3bza s GLU 131 Ca -0.21 2.26 -0.17 0.00 0.02 0.00 0.00 54.97 56.87 3bza s GLU 131 Cb 0.07 -3.39 0.04 0.00 0.10 0.00 0.00 34.13 30.95 3bza s GLU 131 CO 0.26 -0.62 0.41 -0.08 0.02 0.00 0.00 175.26 175.25 3bza s THR 132 N 1.86 0.03 -0.18 3.63 -1.32 -1.26 -1.13 115.64 117.26 3bza s THR 132 Ca 0.70 -0.22 -0.29 0.00 -1.21 0.00 0.00 61.69 60.67 3bza s THR 132 Cb -0.40 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 69.92 3bza s THR 132 CO 0.31 -0.12 1.34 -0.89 -2.21 0.00 0.00 174.62 173.05 3bza s THR 133 N -0.67 4.12 0.36 5.08 2.01 -0.50 -4.86 115.64 121.18 3bza s THR 133 Ca -0.08 1.34 -0.27 0.00 0.31 0.00 0.00 61.69 62.99 3bza s THR 133 Cb -0.04 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 3bza s THR 133 CO 0.03 -0.21 1.17 -1.00 -0.69 0.00 0.00 174.62 173.92 3bza s HIS 134 N 3.88 3.19 0.35 4.92 3.76 -1.26 -1.73 115.29 128.40 3bza s HIS 134 Ca 0.59 1.57 0.04 0.00 -0.15 0.00 0.00 55.06 57.11 3bza s HIS 134 Cb -0.22 -3.40 -0.06 0.00 1.11 0.00 0.00 32.58 30.01 3bza s HIS 134 CO 0.19 -1.19 0.06 0.14 -0.85 0.00 0.00 174.74 173.09 3bza s VAL 135 N -1.33 1.21 -0.00 -0.90 -7.23 -0.17 -4.92 120.40 107.06 3bza s VAL 135 Ca 0.53 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 3bza s VAL 135 Cb -0.32 -2.74 -0.08 0.00 0.56 0.00 0.00 36.38 33.80 3bza s VAL 135 CO 0.41 0.00 1.95 -0.70 -0.31 0.00 0.00 175.10 176.45 3bza s GLU 136 N -3.85 4.05 -0.19 4.82 2.12 -1.26 -4.75 118.70 119.63 3bza s GLU 136 Ca 0.34 2.50 -0.29 0.00 0.36 0.00 0.00 54.97 57.87 3bza s GLU 136 Cb 0.08 -4.16 -0.01 0.00 0.26 0.00 0.00 34.13 30.30 3bza s GLU 136 CO 0.15 -1.06 1.29 0.50 -0.54 0.00 0.00 175.26 175.61 3bza s ARG 137 N 4.59 4.15 -0.06 4.30 3.52 -1.26 -4.88 118.95 129.31 3bza s ARG 137 Ca 0.88 1.59 0.08 0.00 -0.13 0.00 0.00 55.73 58.15 3bza s ARG 137 Cb -0.40 -3.80 0.35 0.00 -1.56 0.00 0.00 34.95 29.53 3bza s ARG 137 CO 0.39 -0.82 1.14 1.28 -0.81 0.00 0.00 175.30 176.49 3bza n LEU 138 N 6.90 2.62 0.29 -0.88 4.77 -1.07 -4.60 117.00 125.03 3bza n LEU 138 Ca 0.14 -1.32 0.19 0.00 -0.03 0.00 0.00 56.01 54.99 3bza n LEU 138 Cb 0.45 -0.44 0.93 0.00 -2.33 0.00 0.00 43.42 42.03 3bza n LEU 138 CO 0.58 0.43 1.07 1.12 -1.33 0.00 0.00 177.39 179.26 3bza h HIS 139 N 1.89 0.00 -0.11 -1.77 2.07 -1.75 0.14 115.15 115.62 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 0.89 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.87 3bza h HIS 139 CO 0.39 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 173.92 3bza n MET 140 N -2.99 2.22 -2.12 5.12 2.81 -1.26 -4.85 117.12 116.05 3bza n MET 140 Ca -0.01 -2.39 -0.42 0.00 -1.81 0.00 0.00 57.70 53.07 3bza n MET 140 Cb 0.17 -1.47 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 -0.80 3.74 0.07 0.03 5.12 0.04 -4.69 116.66 120.16 3bza n ARG 141 Ca 0.14 -3.32 0.09 0.00 -1.93 0.00 0.00 57.85 52.83 3bza n ARG 141 Cb 0.61 -2.90 0.38 0.00 -1.16 0.00 0.00 32.46 29.39 3bza n ARG 141 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3bza n TYR 142 N 3.66 0.40 0.38 -1.55 4.01 -1.26 -0.78 117.16 122.01 3bza n TYR 142 Ca 0.48 0.17 0.13 0.00 -0.16 0.00 0.00 57.90 58.52 3bza n TYR 142 Cb 0.33 -0.77 0.53 0.00 -0.31 0.00 0.00 39.34 39.13 3bza n TYR 142 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3bza h ASP 143 N 0.00 0.00 0.00 7.72 2.03 -1.98 -3.07 116.42 121.12 3bza h ASP 143 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3bza h ASP 143 Cb 0.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 3bza h ASP 143 CO 0.00 0.00 -0.79 0.18 -1.03 0.00 0.00 179.24 177.60 3bza n LEU 144 N -2.40 0.42 -4.70 0.15 4.77 0.04 -5.03 117.00 110.25 3bza n LEU 144 Ca 0.02 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.20 3bza n LEU 144 Cb 0.24 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3bza n LEU 144 CO 0.21 0.11 1.23 -0.47 -1.33 0.00 0.00 177.39 177.14 3bza s TYR 145 N -2.28 2.83 0.24 -1.77 5.04 -1.10 -4.99 117.35 115.32 3bza s TYR 145 Ca 0.02 0.57 -0.06 0.00 -2.44 0.00 0.00 57.07 55.17 3bza s TYR 145 Cb 0.09 -3.88 -0.06 0.00 0.35 0.00 0.00 41.96 38.45 3bza s TYR 145 CO 0.49 -3.36 0.51 0.45 -1.34 0.00 0.00 175.55 172.30 3bza s SER 146 N 1.67 6.50 0.65 4.32 0.15 -1.26 -4.98 113.70 120.75 3bza s SER 146 Ca 0.70 0.74 0.35 0.00 0.70 0.00 0.00 55.95 58.45 3bza s SER 146 Cb -0.40 -2.15 1.95 0.00 -1.71 0.00 0.00 66.02 63.70 3bza s SER 146 CO 0.31 -0.11 2.14 0.00 1.20 0.00 0.00 173.24 176.78 3bza h ALA 147 N 2.15 1.32 -0.19 5.45 0.00 -1.96 -1.51 119.26 124.52 3bza h ALA 147 Ca -0.47 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3bza h ALA 147 Cb 1.18 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3bza h ALA 147 CO 0.68 -0.20 -0.43 0.41 0.00 0.00 0.00 179.25 179.71 3bza n GLY 148 N -1.21 5.27 3.65 0.00 0.00 -1.26 -4.33 105.19 107.31 3bza n GLY 148 Ca -0.01 -1.48 -0.50 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.07 1.73 -2.97 1.61 4.07 -0.57 -4.90 120.64 118.54 3bza n GLU 149 Ca 0.26 0.63 -0.42 0.00 -0.06 0.00 0.00 57.16 57.57 3bza n GLU 149 Cb 0.80 -2.36 -0.05 0.00 -0.06 0.00 0.00 31.44 29.77 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 1.71 4.12 -0.15 4.31 1.43 -1.26 -4.47 118.68 124.37 3bza s LEU 150 Ca 0.86 0.46 0.19 0.00 -1.03 0.00 0.00 54.13 54.61 3bza s LEU 150 Cb -0.81 -3.01 -0.27 0.00 0.03 0.00 0.00 46.19 42.12 3bza s LEU 150 CO 0.47 -0.66 0.18 1.33 0.23 0.00 0.00 176.35 177.89 3bza n VAL 151 N 5.66 1.02 -3.84 -1.59 0.24 0.67 -1.60 118.33 118.89 3bza n VAL 151 Ca 0.03 -0.77 -0.10 0.00 -2.04 0.00 0.00 64.34 61.46 3bza n VAL 151 Cb 0.48 -0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 32.43 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 -2.76 0.70 0.02 7.34 0.52 -1.23 -1.63 118.95 121.91 3bza s ARG 152 Ca -0.09 -0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 54.19 3bza s ARG 152 Cb 0.08 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.81 3bza s ARG 152 CO 0.85 -0.20 0.97 -1.17 0.02 0.00 0.00 175.30 175.76 3bza s LEU 153 N -2.09 4.39 -0.20 2.53 2.96 -1.26 -0.11 118.68 124.90 3bza s LEU 153 Ca -0.05 1.67 -0.06 0.00 -0.22 0.00 0.00 54.13 55.47 3bza s LEU 153 Cb -0.01 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.02 3bza s LEU 153 CO -0.04 -0.22 -0.23 -0.67 -1.32 0.00 0.00 176.35 173.87 3bza n ASP 154 N 3.69 1.86 -3.70 3.68 2.03 0.14 -4.87 116.55 119.38 3bza n ASP 154 Ca 0.05 0.12 -0.04 0.00 0.52 0.00 0.00 54.79 55.44 3bza n ASP 154 Cb 0.51 -0.49 -0.01 0.00 -0.72 0.00 0.00 41.12 40.40 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 -2.38 -0.16 0.33 -0.67 -3.43 -1.17 -4.50 115.29 103.31 3bza s HIS 155 Ca -0.28 -0.10 0.08 0.00 -0.80 0.00 0.00 55.06 53.96 3bza s HIS 155 Cb 0.09 0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 31.82 3bza s HIS 155 CO 0.40 -0.73 0.19 -0.06 -2.00 0.00 0.00 174.74 172.54 3bza s PHE 156 N -3.17 2.80 -0.05 0.38 0.08 -0.66 -0.78 117.98 116.58 3bza s PHE 156 Ca 0.11 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 3bza s PHE 156 Cb -0.01 -1.65 0.04 0.00 -0.57 0.00 0.00 43.02 40.83 3bza s PHE 156 CO -0.00 0.32 0.09 1.21 -0.10 0.00 0.00 175.22 176.74 3bza s ASN 157 N -3.88 0.20 -0.07 1.36 3.84 -0.43 -2.46 114.94 113.49 3bza s ASN 157 Ca 0.38 0.17 0.04 0.00 0.21 0.00 0.00 52.86 53.66 3bza s ASN 157 Cb -0.04 0.05 -0.02 0.00 -0.55 0.00 0.00 41.25 40.69 3bza s ASN 157 CO 0.24 -0.16 -0.18 -1.10 -2.79 0.00 0.00 177.10 173.11 3bza s GLN 158 N 1.37 2.72 -0.18 0.43 -0.21 0.67 -0.01 119.66 124.46 3bza s GLN 158 Ca -0.06 -0.76 -0.15 0.00 0.02 0.00 0.00 55.36 54.40 3bza s GLN 158 Cb -0.12 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 3bza s GLN 158 CO -0.04 0.45 0.37 0.08 -2.12 0.00 0.00 175.29 174.02 3bza s VAL 159 N -0.29 5.24 -0.12 1.09 1.01 0.47 -0.22 120.40 127.58 3bza s VAL 159 Ca 0.01 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 3bza s VAL 159 Cb -0.13 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.59 3bza s VAL 159 CO 0.03 0.31 0.33 0.28 0.00 0.00 0.00 175.10 176.04 3bza s THR 160 N 0.92 -0.00 0.29 3.92 -1.32 -0.74 -2.20 115.64 116.50 3bza s THR 160 Ca 0.19 0.02 0.04 0.00 -1.21 0.00 0.00 61.69 60.72 3bza s THR 160 Cb -0.14 -0.46 0.06 0.00 -1.51 0.00 0.00 72.50 70.45 3bza s THR 160 CO 0.07 0.01 1.72 1.55 -2.21 0.00 0.00 174.62 175.75 3bza h PRO 161 N 5.84 0.40 -4.57 7.08 0.13 -1.37 -1.79 132.00 137.73 3bza h PRO 161 Ca -0.28 -0.16 -0.68 0.00 -0.87 0.00 0.00 66.00 64.01 3bza h PRO 161 Cb 1.19 -0.02 -0.37 0.00 0.13 0.00 0.00 31.00 31.92 3bza h PRO 161 CO 0.31 0.66 -0.64 0.34 -0.23 0.00 0.00 178.00 178.45 3bza s ASP 162 N -6.84 4.99 -0.01 1.44 -1.08 -1.26 -4.51 116.67 109.41 3bza s ASP 162 Ca -0.06 -2.12 -0.25 0.00 -0.52 0.00 0.00 52.55 49.60 3bza s ASP 162 Cb 0.14 -1.72 -0.19 0.00 -1.46 0.00 0.00 42.92 39.68 3bza s ASP 162 CO 0.78 -0.45 1.30 0.58 0.52 0.00 0.00 175.17 177.90 3bza h VAL 163 N 6.47 1.23 -0.89 1.11 2.07 -1.82 -2.94 116.25 121.47 3bza h VAL 163 Ca -0.08 -0.95 0.15 0.00 0.82 0.00 0.00 66.70 66.64 3bza h VAL 163 Cb 1.03 1.85 -0.07 0.00 -1.52 0.00 0.00 31.29 32.58 3bza h VAL 163 CO 0.61 0.24 0.57 -0.65 0.02 0.00 0.00 177.57 178.36 3bza h PRO 164 N -0.49 0.66 -0.42 1.57 0.11 -1.95 0.13 132.00 131.61 3bza h PRO 164 Ca -0.01 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3bza h PRO 164 Cb 0.44 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3bza h PRO 164 CO 0.01 0.43 0.22 -0.09 -0.21 0.00 0.00 178.00 178.37 3bza h ARG 165 N 0.68 0.59 -0.06 1.05 2.43 -1.99 -1.88 114.38 115.21 3bza h ARG 165 Ca 0.45 -0.08 -0.18 0.00 -0.81 0.00 0.00 59.98 59.36 3bza h ARG 165 Cb 0.74 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3bza h ARG 165 CO -0.20 0.49 -0.75 0.78 -1.51 0.00 0.00 179.97 178.77 3bza h GLY 166 N 0.55 0.39 0.95 2.80 0.00 -1.22 -2.85 103.07 103.68 3bza h GLY 166 Ca 0.15 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3bza h GLY 166 CO -0.02 0.51 0.12 -0.09 0.00 0.00 0.00 176.54 177.05 3bza h ARG 167 N 0.23 0.29 -0.33 4.80 2.43 -0.85 0.46 114.38 121.41 3bza h ARG 167 Ca -0.03 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3bza h ARG 167 Cb 1.33 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 3bza h ARG 167 CO 0.13 0.26 0.20 -0.22 -1.51 0.00 0.00 179.97 178.83 3bza h LYS 168 N 0.24 0.40 -0.12 0.20 3.11 -1.34 0.13 116.57 119.19 3bza h LYS 168 Ca 0.07 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.92 3bza h LYS 168 Cb 0.05 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.17 3bza h LYS 168 CO -0.01 0.27 -0.05 -0.92 -2.81 0.00 0.00 179.45 175.92 3bza h TYR 169 N 0.41 -0.12 -0.36 1.91 3.20 -1.31 -1.24 116.97 119.47 3bza h TYR 169 Ca 0.12 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3bza h TYR 169 Cb -0.02 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3bza h TYR 169 CO -0.07 -0.08 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.27 3bza h LEU 170 N -0.04 0.55 -0.62 2.82 3.38 -0.52 -2.06 115.31 118.83 3bza h LEU 170 Ca 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3bza h LEU 170 Cb 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3bza h LEU 170 CO -0.15 0.64 0.29 -0.33 0.09 0.00 0.00 178.44 178.98 3bza h GLU 171 N 0.55 0.89 -0.44 1.13 5.08 -0.36 -1.73 114.58 119.71 3bza h GLU 171 Ca 0.11 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3bza h GLU 171 Cb 0.40 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3bza h GLU 171 CO 0.02 0.72 0.21 -0.44 -1.00 0.00 0.00 179.01 178.52 3bza h ASP 172 N 0.85 0.54 0.58 1.42 3.32 -0.95 -0.79 116.42 121.39 3bza h ASP 172 Ca 0.21 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3bza h ASP 172 Cb 0.13 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3bza h ASP 172 CO -0.03 0.46 0.00 -0.11 -1.72 0.00 0.00 179.24 177.84 3bza n LEU 173 N -4.40 0.00 0.00 1.55 7.94 -0.80 -4.77 117.00 116.52 3bza n LEU 173 Ca 0.03 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 3bza n LEU 173 Cb 0.12 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.59 3bza n LEU 173 CO 0.37 -0.19 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 3bza n GLY 174 N 0.32 0.76 3.77 -3.96 0.00 -0.30 -4.78 105.19 100.99 3bza n GLY 174 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 3.03 -0.16 1.61 0.08 -0.70 -4.85 117.98 114.99 3bza s PHE 175 Ca 0.00 1.45 -0.05 0.00 0.12 0.00 0.00 56.93 58.45 3bza s PHE 175 Cb 0.00 -3.61 -0.03 0.00 -0.57 0.00 0.00 43.02 38.81 3bza s PHE 175 CO 0.00 -1.74 0.00 0.50 -0.10 0.00 0.00 175.22 173.88 3bza s ARG 176 N -1.94 3.77 0.19 0.44 3.52 -0.46 -4.08 118.95 120.39 3bza s ARG 176 Ca 0.52 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.37 3bza s ARG 176 Cb -0.38 -3.02 -0.08 0.00 -1.56 0.00 0.00 34.95 29.91 3bza s ARG 176 CO 0.49 0.27 1.18 0.08 -0.81 0.00 0.00 175.30 176.51 3bza s VAL 177 N 0.32 3.61 -0.12 7.11 1.01 -1.26 -1.26 120.40 129.81 3bza s VAL 177 Ca -0.01 1.37 -0.00 0.00 0.00 0.00 0.00 61.98 63.34 3bza s VAL 177 Cb -0.13 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 3bza s VAL 177 CO 0.02 0.23 -0.11 0.35 0.00 0.00 0.00 175.10 175.58 3bza n THR 178 N 2.42 0.66 -3.96 3.92 -2.24 -0.05 -4.80 114.28 110.23 3bza n THR 178 Ca 0.04 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 3bza n THR 178 Cb 0.45 -1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 67.54 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 -2.23 0.63 0.26 -0.78 2.02 -1.24 -1.82 118.70 115.55 3bza s GLU 179 Ca -0.16 -0.90 -0.13 0.00 0.02 0.00 0.00 54.97 53.80 3bza s GLU 179 Cb 0.04 0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.52 3bza s GLU 179 CO 0.26 -0.16 0.51 0.16 0.02 0.00 0.00 175.26 176.05 3bza s ASP 180 N -2.44 -0.01 -0.12 -0.19 1.47 -0.37 -1.30 116.67 113.71 3bza s ASP 180 Ca -0.00 -0.97 0.02 0.00 1.18 0.00 0.00 52.55 52.77 3bza s ASP 180 Cb 0.02 0.62 0.02 0.00 -0.34 0.00 0.00 42.92 43.23 3bza s ASP 180 CO -0.07 -1.19 -0.15 -0.63 0.68 0.00 0.00 175.17 173.80 3bza s ILE 181 N -3.84 1.54 0.28 2.11 1.01 -0.38 -1.21 121.20 120.70 3bza s ILE 181 Ca 0.22 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3bza s ILE 181 Cb -0.01 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 3bza s ILE 181 CO 0.10 0.45 0.13 -1.10 0.00 0.00 0.00 174.94 174.52 3bza s GLN 182 N 1.05 1.51 0.54 2.79 -0.21 -0.46 -0.76 119.66 124.12 3bza s GLN 182 Ca -0.05 -1.84 0.02 0.00 0.02 0.00 0.00 55.36 53.51 3bza s GLN 182 Cb -0.15 -0.20 0.02 0.00 1.00 0.00 0.00 33.01 33.68 3bza s GLN 182 CO -0.03 -0.37 0.16 0.16 -2.12 0.00 0.00 175.29 173.09 3bza s ASP 183 N -3.35 4.34 0.43 5.90 1.47 -0.45 -0.61 116.67 124.39 3bza s ASP 183 Ca 0.36 -1.53 0.29 0.00 1.18 0.00 0.00 52.55 52.85 3bza s ASP 183 Cb 0.06 0.59 1.08 0.00 -0.34 0.00 0.00 42.92 44.31 3bza s ASP 183 CO 0.15 -1.00 1.84 0.44 0.68 0.00 0.00 175.17 177.29 3bza h ASP 184 N 1.07 0.00 -0.60 2.11 3.32 -1.99 -2.68 116.42 117.65 3bza h ASP 184 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3bza h ASP 184 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3bza h ASP 184 CO 0.67 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.57 3bza n GLU 185 N -2.78 4.54 -0.64 3.56 4.71 -1.26 -4.94 120.64 123.83 3bza n GLU 185 Ca 0.02 -3.07 0.00 0.00 -0.01 0.00 0.00 57.16 54.10 3bza n GLU 185 Cb 0.32 -2.15 0.00 0.00 -1.01 0.00 0.00 31.44 28.60 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 0.81 0.67 3.77 0.62 0.00 -1.01 -5.04 105.19 105.01 3bza n GLY 186 Ca 0.27 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 4.67 -0.17 2.61 2.01 -1.26 -4.91 115.64 116.60 3bza s THR 187 Ca 0.00 1.48 -0.07 0.00 0.31 0.00 0.00 61.69 63.41 3bza s THR 187 Cb 0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3bza s THR 187 CO 0.00 0.46 0.06 -0.89 -0.69 0.00 0.00 174.62 173.56 3bza s THR 188 N -0.59 4.81 -0.09 -0.82 2.01 -1.26 -1.33 115.64 118.37 3bza s THR 188 Ca 0.34 -0.03 0.14 0.00 0.31 0.00 0.00 61.69 62.45 3bza s THR 188 Cb -0.20 -3.15 -0.20 0.00 0.01 0.00 0.00 72.50 68.96 3bza s THR 188 CO 0.22 0.49 0.17 -1.22 -0.69 0.00 0.00 174.62 173.59 3bza n TYR 189 N 3.22 0.00 -3.57 4.92 4.01 0.06 -4.65 117.16 121.16 3bza n TYR 189 Ca -0.17 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.46 3bza n TYR 189 Cb 0.53 -0.57 -0.05 0.00 -0.31 0.00 0.00 39.34 38.94 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 -2.65 -1.92 -0.02 -0.72 0.00 -1.21 -0.12 121.76 115.12 3bza s ALA 190 Ca -0.07 1.57 -0.07 0.00 0.00 0.00 0.00 51.96 53.40 3bza s ALA 190 Cb 0.07 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3bza s ALA 190 CO 0.61 -0.31 0.14 0.00 0.00 0.00 0.00 175.76 176.20 3bza s ALA 191 N -1.07 -0.34 -0.04 0.00 0.00 -0.62 -1.25 121.76 118.43 3bza s ALA 191 Ca -0.03 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.07 3bza s ALA 191 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3bza s ALA 191 CO 0.02 -0.16 -0.23 -1.58 0.00 0.00 0.00 175.76 173.81 3bza s TRP 192 N -0.86 2.18 -0.04 0.00 0.51 -0.42 -0.27 118.94 120.03 3bza s TRP 192 Ca -0.09 -0.54 -0.12 0.00 -2.12 0.00 0.00 56.10 53.22 3bza s TRP 192 Cb -0.05 -1.42 0.02 0.00 -0.81 0.00 0.00 33.47 31.21 3bza s TRP 192 CO 0.01 -0.12 0.29 0.00 -0.51 0.00 0.00 176.95 176.61 3bza s MET 193 N -0.32 0.54 0.11 4.98 0.23 -0.82 -0.88 119.30 123.15 3bza s MET 193 Ca 0.02 -0.02 0.05 0.00 -1.03 0.00 0.00 55.69 54.72 3bza s MET 193 Cb -0.11 0.24 -0.04 0.00 -1.53 0.00 0.00 34.83 33.39 3bza s MET 193 CO 0.01 -0.13 -0.13 -3.38 -2.03 0.00 0.00 175.02 169.37 3bza s HIS 194 N -0.85 1.30 -0.10 3.16 -3.43 -0.39 -0.79 115.29 114.20 3bza s HIS 194 Ca -0.09 -0.58 0.00 0.00 -0.80 0.00 0.00 55.06 53.59 3bza s HIS 194 Cb -0.05 -0.69 -0.06 0.00 -1.43 0.00 0.00 32.58 30.35 3bza s HIS 194 CO 0.03 0.10 -0.09 0.54 -2.00 0.00 0.00 174.74 173.32 3bza n ARG 195 N 0.55 0.24 -0.00 -0.38 5.12 -1.26 -1.36 116.66 119.57 3bza n ARG 195 Ca -0.16 0.06 0.15 0.00 -1.93 0.00 0.00 57.85 55.97 3bza n ARG 195 Cb 0.57 -1.17 0.66 0.00 -1.16 0.00 0.00 32.46 31.35 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 -2.83 1.45 -0.35 5.56 2.85 -1.22 -4.90 118.16 118.72 3bza n LYS 196 Ca -0.17 -0.66 0.00 0.00 -1.05 0.00 0.00 58.31 56.43 3bza n LYS 196 Cb 0.68 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 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 1.12 0.80 2.97 2.58 0.00 -1.26 -4.93 105.19 106.46 3bza n GLY 197 Ca 0.20 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.35 0.00 -0.30 2.61 -2.24 -1.26 -1.65 114.28 109.09 3bza n THR 198 Ca 0.00 -1.66 0.02 0.00 -2.27 0.00 0.00 64.05 60.14 3bza n THR 198 Cb 0.00 -0.21 0.22 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.54 1.14 -3.10 2.28 2.07 -1.95 -3.42 116.25 113.81 3bza h VAL 199 Ca -0.26 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3bza h VAL 199 Cb 0.98 -0.06 -0.13 0.00 -1.52 0.00 0.00 31.29 30.57 3bza h VAL 199 CO 0.40 0.20 0.06 -1.38 0.02 0.00 0.00 177.57 176.87 3bza s HIS 200 N -5.94 -0.38 -0.11 1.57 0.00 -1.26 -4.16 115.29 105.02 3bza s HIS 200 Ca -0.12 0.19 0.08 0.00 -3.00 0.00 0.00 55.06 52.21 3bza s HIS 200 Cb 0.19 0.39 -0.12 0.00 -4.00 0.00 0.00 32.58 29.03 3bza s HIS 200 CO 0.80 -0.74 0.01 -0.25 -1.00 0.00 0.00 174.74 173.56 3bza n ASP 201 N -0.13 2.50 -3.99 7.38 8.00 0.03 -4.60 116.55 125.74 3bza n ASP 201 Ca -0.17 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.20 3bza n ASP 201 Cb 0.63 0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 42.28 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 -2.25 0.00 0.08 -3.53 -1.32 -1.05 -1.65 115.64 105.91 3bza s THR 202 Ca -0.07 -1.79 -0.16 0.00 -1.21 0.00 0.00 61.69 58.46 3bza s THR 202 Cb 0.03 -2.42 0.03 0.00 -1.51 0.00 0.00 72.50 68.63 3bza s THR 202 CO 0.41 0.00 0.38 0.00 -2.21 0.00 0.00 174.62 173.20 3bza s ALA 203 N -3.96 -0.87 -0.17 11.08 0.00 -1.03 -1.95 121.76 124.86 3bza s ALA 203 Ca 0.33 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 3bza s ALA 203 Cb 0.04 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 3bza s ALA 203 CO 0.13 -0.52 -0.08 -0.51 0.00 0.00 0.00 175.76 174.77 3bza s LEU 204 N -2.37 2.84 -0.20 0.00 1.43 0.63 -0.24 118.68 120.78 3bza s LEU 204 Ca -0.01 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 3bza s LEU 204 Cb 0.01 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3bza s LEU 204 CO -0.07 0.08 -0.04 -0.89 0.23 0.00 0.00 176.35 175.66 3bza s THR 205 N 0.86 3.54 0.11 5.49 2.01 0.69 -1.59 115.64 126.76 3bza s THR 205 Ca -0.02 -0.45 -0.31 0.00 0.31 0.00 0.00 61.69 61.21 3bza s THR 205 Cb -0.15 -2.59 -0.11 0.00 0.01 0.00 0.00 72.50 69.67 3bza s THR 205 CO 0.01 0.45 1.85 0.61 -0.69 0.00 0.00 174.62 176.84 3bza n GLY 206 N 4.33 1.68 0.00 4.40 0.00 0.83 -1.80 105.19 114.63 3bza n GLY 206 Ca -0.18 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3bza n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bza n GLY 207 N 4.25 -1.72 3.72 -0.02 0.00 -0.67 -4.84 105.19 105.90 3bza n GLY 207 Ca 0.18 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.33 6.62 0.30 1.61 0.01 -1.26 -1.07 114.94 119.82 3bza s ASN 208 Ca 0.00 2.57 -0.08 0.00 -0.71 0.00 0.00 52.86 54.64 3bza s ASN 208 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3bza s ASN 208 CO 0.00 -0.81 0.49 -0.83 -1.51 0.00 0.00 177.10 174.45 3bza s GLY 209 N 1.23 0.96 0.07 0.66 0.00 -0.69 -4.38 107.32 105.17 3bza s GLY 209 Ca 0.70 -1.17 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 3bza s GLY 209 CO 0.31 -0.78 1.09 2.56 0.00 0.00 0.00 173.10 176.27 3bza s PRO 210 N -3.44 4.53 0.02 2.90 0.04 -1.26 0.42 135.00 138.20 3bza s PRO 210 Ca 0.26 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 3bza s PRO 210 Cb -0.01 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 3bza s PRO 210 CO 0.14 -0.08 -0.00 1.03 0.04 0.00 0.00 177.00 178.13 3bza s ARG 211 N 0.64 0.36 -0.30 4.56 0.52 -0.93 -4.25 118.95 119.55 3bza s ARG 211 Ca 0.54 -0.63 -0.20 0.00 -0.52 0.00 0.00 55.73 54.92 3bza s ARG 211 Cb -0.26 0.13 -0.01 0.00 0.52 0.00 0.00 34.95 35.33 3bza s ARG 211 CO 0.30 -0.07 0.62 -1.17 0.02 0.00 0.00 175.30 175.01 3bza s LEU 212 N -1.57 4.14 -0.02 2.53 2.96 0.69 -0.39 118.68 127.01 3bza s LEU 212 Ca -0.14 0.45 -0.23 0.00 -0.22 0.00 0.00 54.13 53.99 3bza s LEU 212 Cb -0.08 -2.81 -0.16 0.00 0.50 0.00 0.00 46.19 43.64 3bza s LEU 212 CO -0.01 -0.46 1.06 -0.74 -1.32 0.00 0.00 176.35 174.88 3bza h HIS 213 N 8.16 -0.26 -2.48 5.38 -0.00 -0.75 0.58 115.15 125.78 3bza h HIS 213 Ca -0.27 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.22 3bza h HIS 213 Cb 1.12 0.09 -0.10 0.00 -0.00 0.00 0.00 27.41 28.51 3bza h HIS 213 CO 0.76 0.13 0.42 -3.38 -0.00 0.00 0.00 177.93 175.86 3bza s HIS 214 N -4.03 -0.25 -0.08 5.26 0.00 -1.03 -4.29 115.29 110.87 3bza s HIS 214 Ca -0.14 -0.01 0.03 0.00 -3.00 0.00 0.00 55.06 51.95 3bza s HIS 214 Cb 0.01 0.61 -0.02 0.00 -4.00 0.00 0.00 32.58 29.18 3bza s HIS 214 CO 0.52 -0.79 -0.15 0.08 -1.00 0.00 0.00 174.74 173.40 3bza s VAL 215 N -3.36 2.94 -0.09 -5.38 1.01 -1.06 -1.31 120.40 113.14 3bza s VAL 215 Ca 0.08 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3bza s VAL 215 Cb -0.02 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3bza s VAL 215 CO -0.03 0.57 -0.15 0.00 0.00 0.00 0.00 175.10 175.50 3bza s ALA 216 N -0.33 2.60 0.12 5.51 0.00 0.04 -1.22 121.76 128.48 3bza s ALA 216 Ca 0.03 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.12 3bza s ALA 216 Cb -0.13 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3bza s ALA 216 CO 0.02 0.39 -0.08 -0.06 0.00 0.00 0.00 175.76 176.03 3bza s PHE 217 N -0.13 2.76 0.21 0.00 0.08 0.02 -0.68 117.98 120.23 3bza s PHE 217 Ca -0.01 -0.15 -0.03 0.00 0.12 0.00 0.00 56.93 56.85 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 0.45 0.43 -1.12 -0.10 0.00 0.00 175.22 174.92 3bza s SER 218 N -2.36 6.44 0.43 1.36 0.01 0.85 -0.86 113.70 119.58 3bza s SER 218 Ca 0.23 0.55 0.06 0.00 1.31 0.00 0.00 55.95 58.10 3bza s SER 218 Cb -0.11 -2.07 -0.06 0.00 0.21 0.00 0.00 66.02 63.99 3bza s SER 218 CO 0.15 -0.06 0.06 0.42 0.41 0.00 0.00 173.24 174.22 3bza s THR 219 N -1.87 1.89 -0.02 1.44 -4.23 -0.73 -0.24 115.64 111.89 3bza s THR 219 Ca 0.41 -1.92 -0.23 0.00 -1.18 0.00 0.00 61.69 58.77 3bza s THR 219 Cb -0.11 -2.82 -0.21 0.00 1.34 0.00 0.00 72.50 70.71 3bza s THR 219 CO 0.28 0.00 1.14 0.45 -0.54 0.00 0.00 174.62 175.95 3bza h HIS 220 N 1.59 0.31 -3.56 3.99 3.86 -1.91 -3.44 115.15 116.00 3bza h HIS 220 Ca -0.44 -0.14 -0.32 0.00 -1.16 0.00 0.00 60.37 58.32 3bza h HIS 220 Cb 1.26 -0.05 -0.15 0.00 1.06 0.00 0.00 27.41 29.54 3bza h HIS 220 CO 0.87 0.86 -0.67 -1.21 0.86 0.00 0.00 177.93 178.64 3bza s GLU 221 N -3.56 1.15 0.30 2.45 2.02 -1.26 -4.85 118.70 114.94 3bza s GLU 221 Ca -0.15 -1.55 -0.01 0.00 0.02 0.00 0.00 54.97 53.28 3bza s GLU 221 Cb 0.02 -0.44 0.45 0.00 0.10 0.00 0.00 34.13 34.26 3bza s GLU 221 CO 0.75 -0.07 1.88 0.87 0.02 0.00 0.00 175.26 178.71 3bza h LYS 222 N 2.66 0.87 0.00 1.61 1.57 -1.96 -2.36 116.57 118.96 3bza h LYS 222 Ca -0.37 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 3bza h LYS 222 Cb 1.20 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 3bza h LYS 222 CO 0.63 0.71 -0.04 1.12 -0.57 0.00 0.00 179.45 181.30 3bza h HIS 223 N 0.86 0.00 -0.49 -1.35 2.07 -1.97 -1.41 115.15 112.86 3bza h HIS 223 Ca 0.20 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.62 3bza h HIS 223 Cb 0.16 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.12 3bza h HIS 223 CO 0.01 0.04 -0.09 -0.91 -3.07 0.00 0.00 177.93 173.91 3bza h ASN 224 N 0.00 0.89 -0.43 3.10 4.21 -1.61 -0.50 115.58 121.23 3bza h ASN 224 Ca -0.00 -0.27 -0.11 0.00 1.21 0.00 0.00 56.30 57.13 3bza h ASN 224 Cb 0.12 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 3bza h ASN 224 CO 0.01 1.00 -0.16 0.40 -1.29 0.00 0.00 177.43 177.38 3bza h ILE 225 N 0.81 1.28 -0.63 2.81 2.04 -1.35 -2.74 117.51 119.73 3bza h ILE 225 Ca 0.13 -1.29 0.10 0.00 1.00 0.00 0.00 64.86 64.80 3bza h ILE 225 Cb 0.61 1.20 -0.08 0.00 -0.74 0.00 0.00 36.82 37.82 3bza h ILE 225 CO 0.04 0.44 0.23 0.40 0.00 0.00 0.00 178.15 179.26 3bza h ILE 226 N 0.70 0.75 -0.83 -0.67 1.08 -1.11 -2.06 117.51 115.38 3bza h ILE 226 Ca 0.10 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.44 3bza h ILE 226 Cb 0.72 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 3bza h ILE 226 CO 0.05 0.07 0.55 -0.61 -0.69 0.00 0.00 178.15 177.53 3bza h GLN 227 N 0.41 1.09 -0.36 2.37 5.75 -0.93 -0.29 115.11 123.14 3bza h GLN 227 Ca 0.32 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.76 3bza h GLN 227 Cb 0.41 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 3bza h GLN 227 CO -0.32 0.72 0.23 0.82 -2.65 0.00 0.00 178.83 177.62 3bza h ILE 228 N 1.12 1.07 -0.05 2.39 2.04 -1.08 0.15 117.51 123.15 3bza h ILE 228 Ca 0.30 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3bza h ILE 228 Cb -0.13 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3bza h ILE 228 CO -0.07 0.08 0.04 0.00 0.00 0.00 0.00 178.15 178.20 3bza h ASP 230 N 0.07 0.71 -0.54 0.00 3.32 -0.71 -0.72 116.42 118.55 3bza h ASP 230 Ca 0.02 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3bza h ASP 230 Cb -0.01 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3bza h ASP 230 CO -0.00 0.47 -0.07 0.50 -1.72 0.00 0.00 179.24 178.42 3bza h LYS 231 N 0.84 1.00 -0.70 3.56 3.64 -0.50 -1.09 116.57 123.32 3bza h LYS 231 Ca 0.31 -0.35 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3bza h LYS 231 Cb 0.11 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3bza h LYS 231 CO -0.15 1.03 0.28 0.52 -2.27 0.00 0.00 179.45 178.86 3bza h MET 232 N 0.87 1.03 -0.49 1.90 2.86 -0.82 -0.08 114.93 120.20 3bza h MET 232 Ca 0.14 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3bza h MET 232 Cb 0.63 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 3bza h MET 232 CO 0.04 0.84 0.24 0.78 1.06 0.00 0.00 176.91 179.88 3bza h GLY 233 N 1.08 0.75 1.24 8.32 0.00 -0.77 0.80 103.07 114.48 3bza h GLY 233 Ca 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3bza h GLY 233 CO -0.02 0.35 0.41 0.00 0.00 0.00 0.00 176.54 177.28 3bza h ALA 234 N 1.08 1.36 -0.00 3.60 0.00 -0.64 -0.49 119.26 124.17 3bza h ALA 234 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3bza h ALA 234 Cb 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3bza h ALA 234 CO -0.02 0.54 -0.00 1.28 0.00 0.00 0.00 179.25 181.04 3bza n LEU 235 N -4.37 0.01 -3.65 0.00 4.77 -0.10 -4.90 117.00 108.76 3bza n LEU 235 Ca 0.07 0.12 -0.23 0.00 -0.03 0.00 0.00 56.01 55.94 3bza n LEU 235 Cb 0.09 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3bza n LEU 235 CO 0.38 0.00 0.13 0.54 -1.33 0.00 0.00 177.39 177.11 3bza n ARG 236 N -1.12 -6.61 -1.04 3.23 5.12 -0.19 -4.91 116.66 111.14 3bza n ARG 236 Ca 0.20 0.75 -0.00 0.00 -1.93 0.00 0.00 57.85 56.86 3bza n ARG 236 Cb 0.17 -5.68 0.15 0.00 -1.16 0.00 0.00 32.46 25.94 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 -4.61 2.01 0.30 0.55 -5.35 0.19 -4.81 119.36 107.64 3bza n ILE 237 Ca -0.10 -3.19 0.20 0.00 -0.27 0.00 0.00 62.75 59.38 3bza n ILE 237 Cb 0.60 -0.24 1.03 0.00 -1.74 0.00 0.00 39.64 39.29 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 1.28 0.00 0.77 7.28 4.64 -1.86 -0.20 113.55 125.46 3bza h SER 238 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3bza h SER 238 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3bza h SER 238 CO 0.16 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.22 3bza n ASP 239 N -2.89 0.62 -0.36 4.97 5.75 -1.26 -1.72 116.55 121.67 3bza n ASP 239 Ca -0.02 0.65 0.14 0.00 -0.01 0.00 0.00 54.79 55.54 3bza n ASP 239 Cb 0.09 -0.78 0.47 0.00 -1.03 0.00 0.00 41.12 39.86 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 -2.18 1.26 -2.66 0.11 5.12 -0.09 -4.68 116.66 113.53 3bza n ARG 240 Ca 0.02 -0.72 -0.43 0.00 -1.93 0.00 0.00 57.85 54.79 3bza n ARG 240 Cb 0.24 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.03 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 -2.24 4.30 -0.08 0.55 1.01 -0.70 -1.22 121.20 122.82 3bza s ILE 241 Ca 0.32 1.12 -0.24 0.00 0.00 0.00 0.00 60.65 61.85 3bza s ILE 241 Cb 0.20 -4.55 -0.30 0.00 0.01 0.00 0.00 42.46 37.83 3bza s ILE 241 CO 0.42 -0.93 0.84 -0.08 0.00 0.00 0.00 174.94 175.19 3bza h GLU 242 N 9.12 0.20 -2.13 2.79 4.81 -1.38 -3.48 114.58 124.51 3bza h GLU 242 Ca -0.23 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.64 3bza h GLU 242 Cb 1.06 0.13 -0.22 0.00 0.63 0.00 0.00 28.75 30.35 3bza h GLU 242 CO 1.09 1.16 -0.02 0.50 -0.73 0.00 0.00 179.01 181.02 3bza s ARG 243 N -2.36 0.68 0.00 1.92 3.52 -1.11 -4.87 118.95 116.72 3bza s ARG 243 Ca -0.16 1.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.53 3bza s ARG 243 Cb -0.00 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 3bza s ARG 243 CO 0.78 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 175.55 3bza n GLY 244 N 3.92 -1.09 3.82 8.12 0.00 -1.26 -1.06 105.19 117.63 3bza n GLY 244 Ca -0.19 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.40 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 0.00 2.84 0.26 1.61 0.04 -1.26 -4.98 135.00 133.52 3bza s PRO 245 Ca 0.00 0.94 -0.07 0.00 0.04 0.00 0.00 61.00 61.91 3bza s PRO 245 Cb 0.00 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.59 3bza s PRO 245 CO 0.00 -1.16 0.47 0.41 0.04 0.00 0.00 177.00 176.76 3bza n GLY 246 N -1.97 1.71 3.56 0.56 0.00 -0.14 -4.97 105.19 103.95 3bza n GLY 246 Ca 0.08 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.25 3.84 0.50 1.61 6.06 -1.26 0.01 118.95 127.46 3bza s ARG 247 Ca 0.15 -0.41 -0.21 0.00 -2.50 0.00 0.00 55.73 52.76 3bza s ARG 247 Cb -0.02 -3.20 -0.07 0.00 0.06 0.00 0.00 34.95 31.72 3bza s ARG 247 CO 0.11 0.15 1.10 -1.01 -2.50 0.00 0.00 175.30 173.15 3bza s HIS 248 N 0.70 2.84 0.00 5.12 3.76 0.12 -0.00 115.29 127.82 3bza s HIS 248 Ca 0.03 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.49 3bza s HIS 248 Cb -0.13 -3.23 0.00 0.00 1.11 0.00 0.00 32.58 30.32 3bza s HIS 248 CO 0.02 -1.29 0.03 0.41 -0.85 0.00 0.00 174.74 173.06 3bza n GLY 249 N 0.11 -0.07 3.68 -2.22 0.00 -1.08 -3.51 105.19 102.11 3bza n GLY 249 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.61 0.46 0.00 1.61 0.31 0.57 -1.69 118.33 117.97 3bza n VAL 250 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3bza n VAL 250 Cb 0.00 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 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 5.99 0.00 -0.13 4.52 3.41 -1.26 -4.54 113.62 121.61 3bza n SER 251 Ca 0.20 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.79 3bza n SER 251 Cb 0.33 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.26 -5.36 -4.82 4.04 5.15 -0.68 -4.35 115.26 109.49 3bza n ASN 252 Ca 0.00 0.04 -0.35 0.00 -0.60 0.00 0.00 54.58 53.67 3bza n ASN 252 Cb 0.00 -3.00 -0.06 0.00 -0.53 0.00 0.00 39.78 36.19 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 -1.34 3.34 0.29 5.20 0.00 -1.26 -4.65 121.76 123.34 3bza s ALA 253 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 3bza s ALA 253 Cb 0.00 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.17 3bza s ALA 253 CO 0.00 0.30 1.07 0.12 0.00 0.00 0.00 175.76 177.25 3bza s PHE 254 N -1.73 3.60 0.18 0.00 5.36 -0.40 0.11 117.98 125.11 3bza s PHE 254 Ca 0.49 1.72 -0.09 0.00 -0.96 0.00 0.00 56.93 58.09 3bza s PHE 254 Cb -0.14 -3.22 -0.01 0.00 -0.34 0.00 0.00 43.02 39.31 3bza s PHE 254 CO 0.19 -0.41 0.31 1.52 -1.46 0.00 0.00 175.22 175.37 3bza s TYR 255 N -1.23 0.46 -0.21 10.12 1.13 0.10 -1.37 117.35 126.35 3bza s TYR 255 Ca 0.46 -0.81 -0.20 0.00 -1.41 0.00 0.00 57.07 55.11 3bza s TYR 255 Cb -0.30 -0.05 0.06 0.00 -1.10 0.00 0.00 41.96 40.57 3bza s TYR 255 CO 0.38 -0.77 0.57 -1.17 -2.51 0.00 0.00 175.55 172.05 3bza s LEU 256 N -2.99 -0.17 -0.13 -3.49 2.96 -0.37 -0.97 118.68 113.52 3bza s LEU 256 Ca 0.20 1.12 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 3bza s LEU 256 Cb 0.03 1.96 -0.01 0.00 0.50 0.00 0.00 46.19 48.67 3bza s LEU 256 CO 0.03 -0.21 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.38 3bza s TYR 257 N 0.24 2.74 0.27 5.38 2.02 -0.22 -0.49 117.35 127.30 3bza s TYR 257 Ca -0.00 -0.87 0.05 0.00 -0.37 0.00 0.00 57.07 55.87 3bza s TYR 257 Cb -0.04 -1.83 -0.06 0.00 -0.40 0.00 0.00 41.96 39.63 3bza s TYR 257 CO 0.01 -0.35 -0.02 0.96 -1.57 0.00 0.00 175.55 174.58 3bza s ILE 258 N 0.51 1.35 -0.11 2.71 -4.36 0.07 -1.07 121.20 120.30 3bza s ILE 258 Ca -0.11 -2.07 0.04 0.00 -0.26 0.00 0.00 60.65 58.25 3bza s ILE 258 Cb -0.16 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.07 3bza s ILE 258 CO 0.04 -0.25 -0.23 -0.76 0.24 0.00 0.00 174.94 173.98 3bza s LEU 259 N -3.40 2.08 0.95 0.37 1.43 -0.36 -0.54 118.68 119.20 3bza s LEU 259 Ca 0.30 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 3bza s LEU 259 Cb 0.05 -1.40 0.18 0.00 0.03 0.00 0.00 46.19 45.06 3bza s LEU 259 CO 0.11 0.14 1.28 1.51 0.23 0.00 0.00 176.35 179.63 3bza s ASP 260 N 0.43 3.22 0.59 2.29 -4.77 0.11 -4.84 116.67 113.69 3bza s ASP 260 Ca -0.17 0.40 0.28 0.00 -3.30 0.00 0.00 52.55 49.77 3bza s ASP 260 Cb -0.18 -0.55 1.54 0.00 -1.09 0.00 0.00 42.92 42.65 3bza s ASP 260 CO 0.07 -2.68 1.98 -0.65 0.70 0.00 0.00 175.17 174.59 3bza h PRO 261 N -1.60 0.00 -0.58 2.11 0.11 -1.89 0.32 132.00 130.47 3bza h PRO 261 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3bza h PRO 261 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3bza h PRO 261 CO 0.43 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.97 3bza n ASP 262 N -3.78 4.53 -0.15 -2.05 8.00 -1.26 -4.94 116.55 116.90 3bza n ASP 262 Ca 0.06 -2.47 -0.02 0.00 0.71 0.00 0.00 54.79 53.06 3bza n ASP 262 Cb 0.53 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.89 -4.62 -4.72 -2.24 4.13 0.10 -4.99 115.26 103.81 3bza n ASN 263 Ca 0.24 0.05 -0.42 0.00 1.68 0.00 0.00 54.58 56.13 3bza n ASN 263 Cb 0.85 -2.29 -0.03 0.00 -1.54 0.00 0.00 39.78 36.78 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 -1.61 2.95 -0.04 3.10 3.76 -1.26 -4.63 115.29 117.56 3bza s HIS 264 Ca 0.00 0.49 -0.23 0.00 -0.15 0.00 0.00 55.06 55.17 3bza s HIS 264 Cb 0.00 -4.05 -0.04 0.00 1.11 0.00 0.00 32.58 29.59 3bza s HIS 264 CO 0.00 -3.91 0.69 0.50 -0.85 0.00 0.00 174.74 171.17 3bza s ARG 265 N 0.99 4.43 -0.08 1.40 3.52 -1.26 -0.72 118.95 127.23 3bza s ARG 265 Ca 0.72 0.89 0.05 0.00 -0.13 0.00 0.00 55.73 57.25 3bza s ARG 265 Cb -0.47 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.50 3bza s ARG 265 CO 0.33 0.16 -0.23 0.42 -0.81 0.00 0.00 175.30 175.17 3bza s ILE 266 N 0.47 2.23 -0.09 4.11 -1.09 0.29 -2.57 121.20 124.55 3bza s ILE 266 Ca 0.36 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.76 3bza s ILE 266 Cb -0.18 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.82 3bza s ILE 266 CO 0.19 0.56 0.07 -0.70 -1.23 0.00 0.00 174.94 173.83 3bza s GLU 267 N 0.04 3.19 -0.08 2.79 2.12 -0.35 -0.75 118.70 125.65 3bza s GLU 267 Ca -0.09 -0.29 -0.00 0.00 0.36 0.00 0.00 54.97 54.94 3bza s GLU 267 Cb -0.15 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.24 3bza s GLU 267 CO 0.06 0.73 -0.06 0.42 -0.54 0.00 0.00 175.26 175.87 3bza s ILE 268 N -0.98 3.80 -0.06 -3.70 -1.09 0.36 -0.80 121.20 118.73 3bza s ILE 268 Ca 0.15 -0.43 -0.07 0.00 -2.23 0.00 0.00 60.65 58.06 3bza s ILE 268 Cb -0.12 -2.58 0.02 0.00 -1.58 0.00 0.00 42.46 38.20 3bza s ILE 268 CO 0.04 0.58 0.20 -0.47 -1.23 0.00 0.00 174.94 174.07 3bza s TYR 269 N -0.64 -0.19 -0.05 3.97 5.04 -0.04 -1.23 117.35 124.22 3bza s TYR 269 Ca 0.10 0.45 -0.25 0.00 -2.44 0.00 0.00 57.07 54.93 3bza s TYR 269 Cb -0.12 0.06 0.05 0.00 0.35 0.00 0.00 41.96 42.31 3bza s TYR 269 CO 0.02 -0.14 0.55 -0.08 -1.34 0.00 0.00 175.55 174.56 3bza s THR 270 N -0.14 0.02 -0.72 4.34 -1.32 -0.47 -1.77 115.64 115.58 3bza s THR 270 Ca -0.02 -0.16 -0.02 0.00 -1.21 0.00 0.00 61.69 60.28 3bza s THR 270 Cb -0.02 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 3bza s THR 270 CO 0.01 -0.09 0.61 0.00 -2.21 0.00 0.00 174.62 172.94 3bza n GLN 271 N 1.15 -4.07 -0.14 7.08 6.02 -1.26 -1.27 117.38 124.89 3bza n GLN 271 Ca -0.20 0.48 -0.01 0.00 -0.01 0.00 0.00 57.00 57.26 3bza n GLN 271 Cb 0.57 -4.42 0.01 0.00 1.02 0.00 0.00 30.24 27.41 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 -1.80 0.01 -4.62 1.08 5.75 -1.26 -4.40 116.55 111.30 3bza n ASP 272 Ca -0.10 -1.02 -0.28 0.00 -0.01 0.00 0.00 54.79 53.38 3bza n ASP 272 Cb 0.57 -0.04 -0.11 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.98 2.52 0.06 2.11 1.13 -1.26 -5.02 117.35 115.91 3bza s TYR 273 Ca 0.03 -0.66 -0.30 0.00 -1.41 0.00 0.00 57.07 54.72 3bza s TYR 273 Cb -0.00 -1.78 -0.05 0.00 -1.10 0.00 0.00 41.96 39.03 3bza s TYR 273 CO 0.02 0.44 1.02 -0.47 -2.51 0.00 0.00 175.55 174.05 3bza s TYR 274 N -2.70 3.66 -0.01 -3.49 5.04 -1.26 -3.82 117.35 114.76 3bza s TYR 274 Ca 0.35 1.66 0.02 0.00 -2.44 0.00 0.00 57.07 56.66 3bza s TYR 274 Cb 0.10 -3.16 0.03 0.00 0.35 0.00 0.00 41.96 39.27 3bza s TYR 274 CO 0.18 -0.21 0.89 0.25 -1.34 0.00 0.00 175.55 175.33 3bza n THR 275 N 3.45 0.81 0.31 4.34 -2.24 -0.66 -4.85 114.28 115.44 3bza n THR 275 Ca 0.05 -0.84 0.16 0.00 -2.27 0.00 0.00 64.05 61.15 3bza n THR 275 Cb 0.49 0.55 0.74 0.00 -2.10 0.00 0.00 70.33 70.01 3bza n THR 275 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3bza h GLY 276 N 0.00 0.00 -3.60 3.38 0.00 -1.91 -3.44 103.07 97.50 3bza h GLY 276 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 3bza h GLY 276 CO 0.00 0.00 0.43 0.99 0.00 0.00 0.00 176.54 177.96 3bza s ASP 277 N -5.03 7.29 0.55 0.19 1.11 -1.26 -4.94 116.67 114.57 3bza s ASP 277 Ca 0.00 2.14 0.31 0.00 0.18 0.00 0.00 52.55 55.18 3bza s ASP 277 Cb 0.10 -2.61 1.56 0.00 1.07 0.00 0.00 42.92 43.03 3bza s ASP 277 CO 0.44 -0.12 2.09 1.55 1.18 0.00 0.00 175.17 180.32 3bza h PRO 278 N 3.67 0.00 -0.55 8.23 0.13 -2.04 -1.85 132.00 139.59 3bza h PRO 278 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3bza h PRO 278 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 3bza h PRO 278 CO 0.66 0.09 0.12 -0.40 -0.23 0.00 0.00 178.00 178.24 3bza n ASP 279 N -3.46 4.49 -4.65 1.44 5.75 -1.26 -5.00 116.55 113.85 3bza n ASP 279 Ca -0.02 -3.19 -0.57 0.00 -0.01 0.00 0.00 54.79 51.00 3bza n ASP 279 Cb 0.23 -0.67 -0.07 0.00 -1.03 0.00 0.00 41.12 39.58 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 -0.24 1.70 -4.71 -1.12 5.15 -0.70 -4.82 115.26 110.53 3bza n ASN 280 Ca 0.33 1.11 -0.42 0.00 -0.60 0.00 0.00 54.58 55.01 3bza n ASN 280 Cb 1.20 -1.10 -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 2.01 4.21 0.37 1.20 0.02 -1.26 -4.99 135.00 136.56 3bza s PRO 281 Ca 0.94 2.35 -0.17 0.00 0.02 0.00 0.00 61.00 64.14 3bza s PRO 281 Cb -1.11 -3.32 -0.10 0.00 0.02 0.00 0.00 34.50 30.00 3bza s PRO 281 CO 0.60 -0.65 0.82 0.95 -0.33 0.00 0.00 177.00 178.39 3bza s THR 282 N 1.69 4.57 -0.10 0.99 -4.23 -1.26 -4.94 115.64 112.36 3bza s THR 282 Ca 0.72 1.14 0.02 0.00 -1.18 0.00 0.00 61.69 62.38 3bza s THR 282 Cb -0.42 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 69.82 3bza s THR 282 CO 0.32 -0.25 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.37 3bza s ILE 283 N -2.08 1.40 -0.15 2.99 1.01 -0.76 -5.00 121.20 118.61 3bza s ILE 283 Ca 0.57 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 3bza s ILE 283 Cb -0.10 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 3bza s ILE 283 CO 0.16 0.42 -0.10 -0.89 0.00 0.00 0.00 174.94 174.54 3bza s THR 284 N 1.02 3.27 0.05 2.92 2.01 -1.26 -1.24 115.64 122.41 3bza s THR 284 Ca -0.07 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.39 3bza s THR 284 Cb -0.15 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 3bza s THR 284 CO -0.02 0.50 0.04 0.26 -0.69 0.00 0.00 174.62 174.72 3bza s TRP 285 N 0.52 3.12 0.23 4.92 0.52 -0.35 -4.98 118.94 122.92 3bza s TRP 285 Ca -0.07 0.06 -0.30 0.00 0.02 0.00 0.00 56.10 55.82 3bza s TRP 285 Cb -0.15 -1.62 -0.09 0.00 -1.15 0.00 0.00 33.47 30.46 3bza s TRP 285 CO 0.04 0.50 1.01 1.21 0.02 0.00 0.00 176.95 179.72 3bza s ASN 286 N -2.10 7.48 0.58 2.95 3.84 -1.26 -1.35 114.94 125.08 3bza s ASN 286 Ca 0.25 2.05 0.28 0.00 0.21 0.00 0.00 52.86 55.65 3bza s ASN 286 Cb -0.12 -2.61 1.69 0.00 -0.55 0.00 0.00 41.25 39.66 3bza s ASN 286 CO 0.17 0.00 2.19 1.62 -2.79 0.00 0.00 177.10 178.29 3bza h VAL 287 N 3.28 0.57 -0.01 -5.21 3.04 -1.22 -1.57 116.25 115.13 3bza h VAL 287 Ca -0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3bza h VAL 287 Cb 1.21 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 3bza h VAL 287 CO 0.69 0.00 -0.07 1.41 -1.01 0.00 0.00 177.57 178.58 3bza n HIS 288 N -3.93 0.00 -2.44 3.17 8.25 -1.26 -4.82 115.22 114.20 3bza n HIS 288 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 3bza n HIS 288 Cb 0.18 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.16 6.55 0.00 0.41 -1.08 -0.59 -0.08 116.67 119.72 3bza s ASP 289 Ca 0.34 0.92 0.22 0.00 -0.52 0.00 0.00 52.55 53.50 3bza s ASP 289 Cb 0.21 -2.54 1.29 0.00 -1.46 0.00 0.00 42.92 40.41 3bza s ASP 289 CO 0.39 -1.24 1.68 -3.20 0.52 0.00 0.00 175.17 173.33 3bza n ASN 290 N 8.08 0.00 -0.95 -0.34 5.15 0.37 -1.83 115.26 125.74 3bza n ASN 290 Ca 0.15 -0.78 0.10 0.00 -0.60 0.00 0.00 54.58 53.44 3bza n ASN 290 Cb 0.48 0.00 0.18 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 -0.96 2.26 0.05 1.20 6.02 -1.26 -3.93 117.38 120.77 3bza n GLN 291 Ca 0.16 -2.08 -0.14 0.00 -0.01 0.00 0.00 57.00 54.94 3bza n GLN 291 Cb 0.07 -1.42 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 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 3.66 0.47 0.00 -1.09 0.11 -1.71 -3.22 114.38 112.60 3bza h ARG 292 Ca 0.00 -0.47 -0.40 0.00 0.10 0.00 0.00 59.98 59.21 3bza h ARG 292 Cb 0.86 0.12 -0.06 0.00 1.11 0.00 0.00 29.97 32.00 3bza h ARG 292 CO 0.00 1.11 -2.40 0.54 0.10 0.00 0.00 179.97 179.32 3bza n ARG 293 N -3.79 0.56 -3.98 0.08 1.74 -1.26 -0.32 116.66 109.69 3bza n ARG 293 Ca -0.07 0.20 -0.34 0.00 -0.77 0.00 0.00 57.85 56.87 3bza n ARG 293 Cb 0.81 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 30.67 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 -6.94 4.25 0.57 0.55 2.15 -1.26 -3.30 116.67 112.70 3bza s ASP 294 Ca -0.34 -0.91 0.27 0.00 0.43 0.00 0.00 52.55 51.99 3bza s ASP 294 Cb 0.12 -1.64 1.69 0.00 -0.30 0.00 0.00 42.92 42.79 3bza s ASP 294 CO 0.49 -0.13 2.22 -0.25 -0.17 0.00 0.00 175.17 177.33 3bza h TRP 295 N 7.99 0.00 -0.10 -5.34 -0.00 -0.44 -0.75 115.95 117.31 3bza h TRP 295 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.57 3bza h TRP 295 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.26 3bza h TRP 295 CO 0.58 0.00 0.00 0.91 -0.00 0.00 0.00 178.44 179.93 3bza n TRP 296 N -4.00 0.12 -0.90 2.65 8.01 -1.26 -4.74 117.44 117.32 3bza n TRP 296 Ca -0.02 -0.06 0.00 0.00 -1.31 0.00 0.00 57.50 56.10 3bza n TRP 296 Cb 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 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 1.17 0.72 3.76 6.99 0.00 -0.29 -5.02 105.19 112.52 3bza n GLY 297 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.42 5.96 0.44 1.61 0.01 -1.26 -4.72 114.94 114.56 3bza s ASN 298 Ca 0.00 2.57 -0.24 0.00 -0.71 0.00 0.00 52.86 54.48 3bza s ASN 298 Cb 0.00 -2.63 -0.08 0.00 0.41 0.00 0.00 41.25 38.96 3bza s ASN 298 CO 0.00 -1.08 1.17 -2.16 -1.51 0.00 0.00 177.10 173.52 3bza s PRO 299 N -2.59 3.87 -0.22 -0.60 0.04 -1.26 -4.62 135.00 129.62 3bza s PRO 299 Ca 0.63 1.81 -0.26 0.00 0.04 0.00 0.00 61.00 63.22 3bza s PRO 299 Cb -0.35 -2.52 -0.00 0.00 0.04 0.00 0.00 34.50 31.67 3bza s PRO 299 CO 0.44 -0.47 0.91 0.08 0.04 0.00 0.00 177.00 178.00 3bza s VAL 300 N -1.49 4.78 0.31 -0.36 1.01 -1.26 -4.98 120.40 118.41 3bza s VAL 300 Ca 0.61 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 64.06 3bza s VAL 300 Cb -0.30 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 31.78 3bza s VAL 300 CO 0.37 -0.10 1.51 0.68 0.00 0.00 0.00 175.10 177.56 3bza s VAL 301 N 2.86 2.25 0.36 2.92 -7.23 -1.26 -4.89 120.40 115.41 3bza s VAL 301 Ca 0.39 0.22 0.08 0.00 -1.81 0.00 0.00 61.98 60.86 3bza s VAL 301 Cb -0.15 -3.14 0.31 0.00 0.56 0.00 0.00 36.38 33.95 3bza s VAL 301 CO 0.08 0.04 1.91 -0.65 -0.31 0.00 0.00 175.10 176.17 3bza h PRO 302 N 4.34 0.70 -0.08 4.82 0.11 -1.97 -0.49 132.00 139.43 3bza h PRO 302 Ca -0.48 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3bza h PRO 302 Cb 1.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3bza h PRO 302 CO 0.74 0.46 0.07 0.66 -0.21 0.00 0.00 178.00 179.73 3bza h SER 303 N 0.72 0.00 -0.26 -2.05 4.64 -1.97 -0.47 113.55 114.16 3bza h SER 303 Ca 0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 3bza h SER 303 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3bza h SER 303 CO -0.16 0.00 0.12 -0.25 -0.87 0.00 0.00 176.83 175.67 3bza h TRP 304 N 0.00 0.43 0.00 4.77 7.01 -1.39 0.18 115.95 126.95 3bza h TRP 304 Ca 0.04 -0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.92 3bza h TRP 304 Cb 0.18 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 3bza h TRP 304 CO 0.00 0.35 -1.07 1.88 -2.79 0.00 0.00 178.44 176.81 3bza h TYR 305 N 0.44 0.00 0.00 2.65 0.05 -1.21 -3.41 116.97 115.49 3bza h TYR 305 Ca 0.11 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.63 3bza h TYR 305 Cb 0.11 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.80 3bza h TYR 305 CO 0.00 0.41 -1.96 0.25 -1.05 0.00 0.00 178.16 175.81 3bza n THR 306 N -2.92 0.96 -3.83 -2.88 -2.24 -0.88 -4.99 114.28 97.51 3bza n THR 306 Ca -0.05 -0.59 -0.36 0.00 -2.27 0.00 0.00 64.05 60.78 3bza n THR 306 Cb 0.74 -0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.34 3.68 0.15 -0.78 0.41 0.01 -5.05 118.70 114.78 3bza s GLU 307 Ca -0.07 -0.15 -0.24 0.00 -0.41 0.00 0.00 54.97 54.10 3bza s GLU 307 Cb 0.04 -3.26 0.07 0.00 -1.78 0.00 0.00 34.13 29.19 3bza s GLU 307 CO 0.58 0.63 0.74 0.00 -0.49 0.00 0.00 175.26 176.72 3bza s ALA 308 N -0.59 -1.57 0.20 5.21 0.00 -1.26 -4.79 121.76 118.95 3bza s ALA 308 Ca 0.13 0.38 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 3bza s ALA 308 Cb -0.12 0.74 -0.08 0.00 0.00 0.00 0.00 23.12 23.66 3bza s ALA 308 CO 0.02 -0.85 0.81 -1.12 0.00 0.00 0.00 175.76 174.63 3bza s SER 309 N -2.75 7.39 0.74 0.00 0.01 0.19 -4.82 113.70 114.46 3bza s SER 309 Ca 0.06 1.69 -0.16 0.00 1.31 0.00 0.00 55.95 58.85 3bza s SER 309 Cb -0.02 -2.51 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 3bza s SER 309 CO -0.06 0.16 0.81 0.29 0.41 0.00 0.00 173.24 174.85 3bza n LYS 310 N 1.38 0.38 -4.39 12.44 5.02 -1.26 -0.22 118.16 131.50 3bza n LYS 310 Ca -0.04 0.18 -0.24 0.00 -2.02 0.00 0.00 58.31 56.19 3bza n LYS 310 Cb 0.49 -2.08 -0.11 0.00 -0.02 0.00 0.00 35.03 33.30 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 -1.90 2.13 0.12 -0.18 -7.23 -1.26 -0.68 120.40 111.41 3bza s VAL 311 Ca 0.70 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.91 3bza s VAL 311 Cb -0.34 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 3bza s VAL 311 CO 0.54 -0.22 0.09 -0.76 -0.31 0.00 0.00 175.10 174.44 3bza s LEU 312 N -2.72 3.74 0.00 1.32 1.43 -0.26 -0.99 118.68 121.21 3bza s LEU 312 Ca 0.19 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 3bza s LEU 312 Cb -0.07 -2.40 0.09 0.00 0.03 0.00 0.00 46.19 43.85 3bza s LEU 312 CO 0.09 0.12 0.60 -0.90 0.23 0.00 0.00 176.35 176.49 3bza n ASP 313 N 0.09 0.38 0.00 2.29 5.68 0.10 -4.37 116.55 120.72 3bza n ASP 313 Ca -0.09 -1.42 0.09 0.00 -0.50 0.00 0.00 54.79 52.87 3bza n ASP 313 Cb 0.53 -0.43 0.41 0.00 -1.14 0.00 0.00 41.12 40.49 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 0.00 -0.66 -2.12 4.77 -1.26 -2.03 117.00 115.70 3bza n LEU 314 Ca 0.09 0.46 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 3bza n LEU 314 Cb 0.30 -0.46 0.29 0.00 -2.33 0.00 0.00 43.42 41.22 3bza n LEU 314 CO 0.21 -0.17 0.71 0.47 -1.33 0.00 0.00 177.39 177.28 3bza n ASP 315 N -1.46 2.13 0.00 -1.43 8.00 -1.26 -4.94 116.55 117.58 3bza n ASP 315 Ca 0.05 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 53.89 3bza n ASP 315 Cb 0.20 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 1.28 0.68 3.90 0.44 0.00 -0.86 -5.06 105.19 105.57 3bza n GLY 316 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.10 6.43 0.19 1.61 0.01 -1.26 -4.81 114.94 115.01 3bza s ASN 317 Ca 0.00 0.45 -0.31 0.00 -0.71 0.00 0.00 52.86 52.28 3bza s ASN 317 Cb 0.00 -2.04 -0.10 0.00 0.41 0.00 0.00 41.25 39.53 3bza s ASN 317 CO 0.00 0.18 1.51 -0.69 -1.51 0.00 0.00 177.10 176.59 3bza s VAL 318 N -1.46 2.69 0.25 1.60 1.01 -1.26 0.01 120.40 123.25 3bza s VAL 318 Ca 0.33 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 3bza s VAL 318 Cb -0.13 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 3bza s VAL 318 CO 0.22 0.05 1.30 -1.10 0.00 0.00 0.00 175.10 175.58 3bza s GLN 319 N 0.67 4.39 0.32 2.72 -1.52 -0.16 -4.83 119.66 121.26 3bza s GLN 319 Ca 0.66 2.10 -0.29 0.00 -1.95 0.00 0.00 55.36 55.88 3bza s GLN 319 Cb -0.43 -3.15 -0.12 0.00 -0.22 0.00 0.00 33.01 29.10 3bza s GLN 319 CO 0.35 -0.20 1.50 -1.91 -0.25 0.00 0.00 175.29 174.78 3bza n GLU 320 N 1.86 2.54 -3.04 2.91 2.13 -1.26 -4.82 120.64 120.96 3bza n GLU 320 Ca 0.03 0.90 -0.40 0.00 0.66 0.00 0.00 57.16 58.35 3bza n GLU 320 Cb 0.42 -2.62 -0.05 0.00 0.27 0.00 0.00 31.44 29.46 3bza n GLU 320 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3bza s ILE 321 N -0.53 5.00 -0.18 6.31 1.09 -1.26 -4.28 121.20 127.35 3bza s ILE 321 Ca 0.60 1.39 -0.09 0.00 -1.10 0.00 0.00 60.65 61.44 3bza s ILE 321 Cb -0.52 -4.02 -0.05 0.00 -1.06 0.00 0.00 42.46 36.81 3bza s ILE 321 CO 0.56 0.15 0.13 -0.63 -0.10 0.00 0.00 174.94 175.05 3bza s ILE 322 N 1.48 5.42 0.19 2.92 1.01 0.17 -4.89 121.20 127.48 3bza s ILE 322 Ca 0.34 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.88 3bza s ILE 322 Cb -0.17 -3.45 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 3bza s ILE 322 CO 0.14 0.48 0.97 -1.61 0.00 0.00 0.00 174.94 174.92 3bza s GLU 323 N 0.03 4.76 0.21 2.79 2.02 -1.26 -1.70 118.70 125.55 3bza s GLU 323 Ca 0.10 1.51 -0.30 0.00 0.02 0.00 0.00 54.97 56.30 3bza s GLU 323 Cb -0.11 -3.31 -0.09 0.00 0.10 0.00 0.00 34.13 30.72 3bza s GLU 323 CO -0.01 0.34 1.28 0.50 0.02 0.00 0.00 175.26 177.40 3bza s ARG 324 N -0.66 4.41 -0.05 1.61 3.52 -1.26 -4.93 118.95 121.59 3bza s ARG 324 Ca 0.44 2.03 0.12 0.00 -0.13 0.00 0.00 55.73 58.20 3bza s ARG 324 Cb -0.26 -3.19 -0.18 0.00 -1.56 0.00 0.00 34.95 29.76 3bza s ARG 324 CO 0.32 -0.20 0.20 0.25 -0.81 0.00 0.00 175.30 175.06 3bza n THR 325 N 2.40 0.29 -0.85 4.11 -2.24 -1.26 -4.96 114.28 111.77 3bza n THR 325 Ca 0.05 -0.37 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 3bza n THR 325 Cb 0.43 -0.10 0.19 0.00 -2.10 0.00 0.00 70.33 68.74 3bza n THR 325 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3bza s ASP 326 N -3.84 2.43 0.70 3.42 1.01 -1.26 -4.96 116.67 114.17 3bza s ASP 326 Ca -0.05 1.67 -0.17 0.00 0.71 0.00 0.00 52.55 54.71 3bza s ASP 326 Cb 0.07 -2.31 0.02 0.00 1.01 0.00 0.00 42.92 41.70 3bza s ASP 326 CO 0.53 -3.32 1.25 0.47 0.21 0.00 0.00 175.17 174.31 3bza n ASP 327 N -4.34 1.68 -4.65 0.27 8.00 -1.26 -4.96 116.55 111.29 3bza n ASP 327 Ca 0.07 0.75 -0.39 0.00 0.71 0.00 0.00 54.79 55.93 3bza n ASP 327 Cb 0.54 -1.53 -0.07 0.00 -0.02 0.00 0.00 41.12 40.04 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 -1.59 6.50 0.23 -2.24 0.15 -1.26 -4.98 113.70 110.50 3bza s SER 328 Ca 0.80 0.59 -0.07 0.00 0.70 0.00 0.00 55.95 57.97 3bza s SER 328 Cb -0.36 -2.28 0.36 0.00 -1.71 0.00 0.00 66.02 62.04 3bza s SER 328 CO 0.44 -0.19 1.76 -0.08 1.20 0.00 0.00 173.24 176.36 3bza h GLU 329 N 7.62 0.49 -0.10 5.44 4.81 -1.93 0.38 114.58 131.29 3bza h GLU 329 Ca -0.33 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.90 3bza h GLU 329 Cb 1.15 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 3bza h GLU 329 CO 0.73 0.33 -0.06 1.25 -0.73 0.00 0.00 179.01 180.52 3bza h LEU 330 N 0.51 -0.19 -0.52 1.64 6.46 -1.95 -2.05 115.31 119.21 3bza h LEU 330 Ca 0.36 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 58.08 3bza h LEU 330 Cb 0.45 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 3bza h LEU 330 CO -0.32 -0.08 -0.01 -0.33 -0.62 0.00 0.00 178.44 177.08 3bza h GLU 331 N -0.05 0.92 0.00 1.25 4.39 -1.66 0.30 114.58 119.74 3bza h GLU 331 Ca 0.06 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.46 3bza h GLU 331 Cb 0.15 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3bza h GLU 331 CO -0.14 0.95 0.00 1.33 -1.16 0.00 0.00 179.01 179.99 3bza n VAL 332 N -4.29 0.43 -0.06 3.13 0.24 0.02 -2.92 118.33 114.88 3bza n VAL 332 Ca 0.01 -0.11 -0.10 0.00 -2.04 0.00 0.00 64.34 62.11 3bza n VAL 332 Cb 0.33 -0.63 -0.05 0.00 -1.47 0.00 0.00 33.84 32.02 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 -1.94 0.66 -0.13 3.34 -2.24 -0.78 -1.23 114.28 111.96 3bza n THR 333 Ca 0.06 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3bza n THR 333 Cb 0.37 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 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 -3.10 0.00 -1.35 2.28 -5.35 0.02 -3.02 119.36 108.83 3bza n ILE 334 Ca -0.22 -0.41 -0.29 0.00 -0.27 0.00 0.00 62.75 61.56 3bza n ILE 334 Cb 0.70 1.13 0.19 0.00 -1.74 0.00 0.00 39.64 39.91 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 -0.23 1.60 0.44 3.28 0.00 -0.72 -4.02 107.32 107.67 3bza s GLY 335 Ca 0.00 -0.73 0.20 0.00 0.00 0.00 0.00 44.72 44.19 3bza s GLY 335 CO 0.00 -0.02 1.87 0.00 0.00 0.00 0.00 173.10 174.95 3bza h ALA 336 N -1.98 2.30 -0.36 3.20 0.00 -1.82 0.43 119.26 121.03 3bza h ALA 336 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3bza h ALA 336 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3bza h ALA 336 CO 0.49 -0.57 0.00 -0.25 0.00 0.00 0.00 179.25 178.92 3bza n ASP 337 N -4.47 4.07 -4.93 0.00 8.00 -1.26 -4.05 116.55 113.90 3bza n ASP 337 Ca 0.18 -2.77 -0.25 0.00 0.71 0.00 0.00 54.79 52.66 3bza n ASP 337 Cb 0.72 -0.51 0.04 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.51 1.66 0.09 0.44 0.00 0.14 -4.85 107.32 103.30 3bza s GLY 338 Ca 0.42 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 44.02 3bza s GLY 338 CO 0.13 -0.61 0.49 -0.11 0.00 0.00 0.00 173.10 173.00 3bza s PHE 339 N -2.98 -0.36 0.06 1.90 -0.71 -0.37 -0.43 117.98 115.10 3bza s PHE 339 Ca 0.56 0.24 -0.07 0.00 -1.04 0.00 0.00 56.93 56.62 3bza s PHE 339 Cb -0.10 0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 3bza s PHE 339 CO 0.43 -0.69 0.13 -1.54 -1.34 0.00 0.00 175.22 172.21 3bza s SER 340 N -2.37 0.20 0.18 1.98 1.04 -0.42 -4.30 113.70 110.01 3bza s SER 340 Ca -0.02 -0.67 0.08 0.00 0.48 0.00 0.00 55.95 55.83 3bza s SER 340 Cb 0.00 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 3bza s SER 340 CO -0.07 -0.64 -0.17 0.72 0.98 0.00 0.00 173.24 174.06 3bza s PHE 341 N -3.47 1.80 -0.18 5.02 -0.71 0.89 -0.78 117.98 120.55 3bza s PHE 341 Ca 0.02 -0.49 -0.20 0.00 -1.04 0.00 0.00 56.93 55.22 3bza s PHE 341 Cb 0.04 -0.88 -0.22 0.00 -1.21 0.00 0.00 43.02 40.75 3bza s PHE 341 CO -0.09 0.35 0.35 1.15 -1.34 0.00 0.00 175.22 175.64 3bza h THR 342 N 3.05 1.01 -3.30 -4.49 2.02 -1.66 0.11 112.91 109.64 3bza h THR 342 Ca -0.41 -2.25 -0.68 0.00 0.77 0.00 0.00 66.41 63.84 3bza h THR 342 Cb 1.21 2.46 -0.33 0.00 -1.74 0.00 0.00 68.15 69.75 3bza h THR 342 CO 0.54 0.46 -0.87 -0.13 0.37 0.00 0.00 175.52 175.89 3bza s ARG 343 N -2.38 3.05 0.20 6.66 0.52 -1.26 -4.83 118.95 120.91 3bza s ARG 343 Ca -0.26 -0.87 -0.33 0.00 -0.52 0.00 0.00 55.73 53.76 3bza s ARG 343 Cb 0.05 -2.35 -0.13 0.00 0.52 0.00 0.00 34.95 33.04 3bza s ARG 343 CO 0.65 0.12 1.58 0.00 0.02 0.00 0.00 175.30 177.67 3bza n ALA 344 N 3.68 1.77 -0.98 2.13 0.00 -1.26 -1.60 120.51 124.25 3bza n ALA 344 Ca -0.19 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3bza n ALA 344 Cb 0.53 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 3.16 0.87 3.56 0.00 0.00 -1.26 -5.02 105.19 106.50 3bza n GLY 345 Ca 0.15 0.00 -0.36 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 -2.78 5.49 0.24 1.61 -1.08 -0.63 -4.98 116.67 114.54 3bza s ASP 346 Ca 0.00 -0.03 0.02 0.00 -0.52 0.00 0.00 52.55 52.02 3bza s ASP 346 Cb 0.00 -1.97 0.28 0.00 -1.46 0.00 0.00 42.92 39.77 3bza s ASP 346 CO 0.00 0.08 1.60 -0.08 0.52 0.00 0.00 175.17 177.28 3bza h GLU 347 N 7.41 0.36 -6.56 4.34 4.57 -1.95 -3.38 114.58 119.37 3bza h GLU 347 Ca -0.37 -0.21 -0.53 0.00 -1.18 0.00 0.00 59.36 57.08 3bza h GLU 347 Cb 1.17 0.02 0.03 0.00 -0.16 0.00 0.00 28.75 29.81 3bza h GLU 347 CO 0.64 0.78 0.89 -0.51 -1.18 0.00 0.00 179.01 179.63 3bza s ASP 348 N -6.89 6.62 -0.29 1.04 1.01 -1.26 -2.00 116.67 114.90 3bza s ASP 348 Ca -0.05 2.54 0.00 0.00 0.71 0.00 0.00 52.55 55.75 3bza s ASP 348 Cb 0.12 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.47 3bza s ASP 348 CO 0.80 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.97 3bza n GLY 349 N 3.78 0.60 3.96 0.21 0.00 -1.26 -4.65 105.19 107.83 3bza n GLY 349 Ca 0.14 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.61 6.31 -0.05 1.61 0.01 -0.85 -1.93 113.70 116.20 3bza s SER 350 Ca 0.00 0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.45 3bza s SER 350 Cb 0.00 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.34 3bza s SER 350 CO 0.00 -0.13 -0.09 -0.31 0.41 0.00 0.00 173.24 173.11 3bza s TYR 351 N -2.07 1.17 -0.12 2.43 2.02 0.04 -4.99 117.35 115.82 3bza s TYR 351 Ca 0.36 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.68 3bza s TYR 351 Cb -0.09 -0.89 0.02 0.00 -0.40 0.00 0.00 41.96 40.60 3bza s TYR 351 CO 0.31 -0.22 -0.14 -1.01 -1.57 0.00 0.00 175.55 172.92 3bza s HIS 352 N 0.67 1.95 -0.12 2.71 3.76 -1.26 -1.30 115.29 121.69 3bza s HIS 352 Ca -0.12 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 53.80 3bza s HIS 352 Cb -0.14 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.10 3bza s HIS 352 CO 0.02 -0.55 0.00 0.41 -0.85 0.00 0.00 174.74 173.78 3bza n GLY 353 N 4.51 0.42 3.83 -2.22 0.00 0.42 -4.95 105.19 107.20 3bza n GLY 353 Ca -0.17 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.01 1.96 0.79 1.61 -2.07 -1.25 -4.25 119.66 115.44 3bza s GLN 354 Ca 0.00 -1.19 -0.08 0.00 -1.82 0.00 0.00 55.36 52.27 3bza s GLN 354 Cb 0.00 0.60 0.12 0.00 -1.09 0.00 0.00 33.01 32.64 3bza s GLN 354 CO 0.00 -0.91 1.10 0.00 -1.32 0.00 0.00 175.29 174.16 3bza s ALA 355 N -3.04 3.04 0.96 2.60 0.00 -0.40 -4.63 121.76 120.28 3bza s ALA 355 Ca 0.14 -1.25 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 3bza s ALA 355 Cb -0.05 -2.48 0.16 0.00 0.00 0.00 0.00 23.12 20.76 3bza s ALA 355 CO 0.09 -1.70 1.11 -1.54 0.00 0.00 0.00 175.76 173.72 3bza s SER 356 N -4.70 3.03 -0.15 0.00 1.04 -1.26 -4.17 113.70 107.49 3bza s SER 356 Ca 0.66 1.10 0.00 0.00 0.48 0.00 0.00 55.95 58.19 3bza s SER 356 Cb -0.07 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.32 3bza s SER 356 CO 0.47 -2.87 0.00 0.29 0.98 0.00 0.00 173.24 172.11 3bza n LYS 357 N -3.99 -1.25 0.00 4.02 4.76 -1.26 -3.19 118.16 117.24 3bza n LYS 357 Ca 0.06 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 3bza n LYS 357 Cb 0.58 -4.37 0.00 0.00 -1.84 0.00 0.00 35.03 29.40 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 0.88 3.91 0.72 0.00 -1.26 -5.08 105.19 103.84 3bza n GLY 358 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 3.54 0.29 1.61 0.08 -1.19 -5.04 117.98 115.28 3bza s PHE 359 Ca 0.00 0.36 0.08 0.00 0.12 0.00 0.00 56.93 57.49 3bza s PHE 359 Cb 0.00 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 3bza s PHE 359 CO 0.00 0.62 0.21 0.21 -0.10 0.00 0.00 175.22 176.16 3bza s LYS 360 N -2.11 2.75 0.16 0.44 2.20 -1.26 -1.28 119.74 120.64 3bza s LYS 360 Ca 0.30 -1.22 -0.31 0.00 -0.36 0.00 0.00 55.97 54.38 3bza s LYS 360 Cb -0.13 -2.46 -0.09 0.00 -1.51 0.00 0.00 37.83 33.64 3bza s LYS 360 CO 0.21 0.25 1.39 -0.51 -0.36 0.00 0.00 175.35 176.34 3bza s LEU 361 N -3.89 4.39 0.00 5.43 1.43 -1.26 -4.92 118.68 119.86 3bza s LEU 361 Ca 0.36 2.42 0.22 0.00 -1.03 0.00 0.00 54.13 56.10 3bza s LEU 361 Cb -0.06 -3.60 1.29 0.00 0.03 0.00 0.00 46.19 43.85 3bza s LEU 361 CO 0.25 -0.64 1.67 0.61 0.23 0.00 0.00 176.35 178.47