#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bz4 s ILE 2 N 0.00 4.01 -0.22 2.12 1.01 -1.26 -5.02 121.20 121.84 3bz4 s ILE 2 Ca 0.00 1.61 -0.12 0.00 0.00 0.00 0.00 60.65 62.14 3bz4 s ILE 2 Cb 0.00 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 3bz4 s ILE 2 CO 0.00 0.22 0.21 -0.69 0.00 0.00 0.00 174.94 174.68 3bz4 s VAL 3 N 0.28 5.33 -0.29 2.92 1.01 -1.26 -4.81 120.40 123.58 3bz4 s VAL 3 Ca 0.52 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 3bz4 s VAL 3 Cb -0.29 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 3bz4 s VAL 3 CO 0.32 0.34 0.10 -0.04 0.00 0.00 0.00 175.10 175.82 3bz4 s MET 4 N 1.01 3.25 -0.23 2.72 1.00 -1.26 -1.52 119.30 124.27 3bz4 s MET 4 Ca 0.10 -0.76 -0.06 0.00 0.00 0.00 0.00 55.69 54.98 3bz4 s MET 4 Cb -0.13 -3.42 -0.02 0.00 0.00 0.00 0.00 34.83 31.25 3bz4 s MET 4 CO 0.05 -0.40 0.02 0.99 0.00 0.00 0.00 175.02 175.67 3bz4 s THR 5 N 1.55 3.88 0.02 2.05 2.01 0.98 -4.15 115.64 121.98 3bz4 s THR 5 Ca 0.04 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.73 3bz4 s THR 5 Cb -0.17 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 3bz4 s THR 5 CO 0.04 0.38 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.21 3bz4 s GLN 6 N 1.51 0.32 0.45 4.92 -0.21 -1.26 -1.57 119.66 123.83 3bz4 s GLN 6 Ca 0.06 -0.46 -0.24 0.00 0.02 0.00 0.00 55.36 54.75 3bz4 s GLN 6 Cb -0.15 -0.10 -0.07 0.00 1.00 0.00 0.00 33.01 33.69 3bz4 s GLN 6 CO 0.00 0.01 1.22 0.00 -2.12 0.00 0.00 175.29 174.41 3bz4 s ALA 7 N -0.92 3.03 0.36 6.09 0.00 -1.26 -4.69 121.76 124.36 3bz4 s ALA 7 Ca -0.08 1.05 0.09 0.00 0.00 0.00 0.00 51.96 53.02 3bz4 s ALA 7 Cb -0.07 -3.43 0.68 0.00 0.00 0.00 0.00 23.12 20.31 3bz4 s ALA 7 CO -0.00 -0.78 1.85 0.00 0.00 0.00 0.00 175.76 176.83 3bz4 h ALA 8 N 2.16 1.38 -2.25 0.00 0.00 -1.96 -3.32 119.26 115.28 3bz4 h ALA 8 Ca -0.50 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 53.90 3bz4 h ALA 8 Cb 1.25 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 3bz4 h ALA 8 CO 0.60 0.43 -0.70 -0.06 0.00 0.00 0.00 179.25 179.52 3bz4 s PHE 9 N -4.54 0.98 0.30 0.00 0.08 -1.26 -1.25 117.98 112.28 3bz4 s PHE 9 Ca -0.05 -0.87 0.06 0.00 0.12 0.00 0.00 56.93 56.19 3bz4 s PHE 9 Cb 0.15 -0.55 -0.06 0.00 -0.57 0.00 0.00 43.02 41.99 3bz4 s PHE 9 CO 0.74 -0.09 -0.03 -1.54 -0.10 0.00 0.00 175.22 174.20 3bz4 s SER 10 N -3.06 2.76 0.25 1.36 1.04 -1.21 -4.86 113.70 109.98 3bz4 s SER 10 Ca 0.13 -1.24 -0.30 0.00 0.48 0.00 0.00 55.95 55.02 3bz4 s SER 10 Cb 0.04 -0.17 -0.10 0.00 0.10 0.00 0.00 66.02 65.90 3bz4 s SER 10 CO -0.03 -0.40 1.38 0.20 0.98 0.00 0.00 173.24 175.37 3bz4 s ASN 11 N -3.47 6.74 0.33 7.02 0.01 -1.26 -4.74 114.94 119.57 3bz4 s ASN 11 Ca 0.31 2.60 -0.29 0.00 -0.71 0.00 0.00 52.86 54.77 3bz4 s ASN 11 Cb 0.05 -2.62 -0.12 0.00 0.41 0.00 0.00 41.25 38.96 3bz4 s ASN 11 CO 0.13 -0.62 1.33 -2.65 -1.51 0.00 0.00 177.10 173.78 3bz4 n PRO 12 N 2.12 2.17 -4.96 -0.60 -0.02 -1.26 -4.75 135.00 127.69 3bz4 n PRO 12 Ca 0.05 0.76 -0.32 0.00 -2.02 0.00 0.00 63.50 61.97 3bz4 n PRO 12 Cb 0.41 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 3bz4 n PRO 12 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bz4 s VAL 13 N -0.89 2.72 0.31 -1.45 1.01 0.14 -4.61 120.40 117.62 3bz4 s VAL 13 Ca 0.58 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3bz4 s VAL 13 Cb -0.57 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.63 3bz4 s VAL 13 CO 0.60 0.55 1.17 -0.89 0.00 0.00 0.00 175.10 176.53 3bz4 s THR 14 N 0.02 3.20 0.40 3.92 2.01 -1.26 -0.64 115.64 123.29 3bz4 s THR 14 Ca -0.06 1.19 -0.27 0.00 0.31 0.00 0.00 61.69 62.86 3bz4 s THR 14 Cb -0.15 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 3bz4 s THR 14 CO 0.05 0.27 1.37 0.18 -0.69 0.00 0.00 174.62 175.79 3bz4 n LEU 15 N 0.94 4.34 0.00 4.42 4.77 -1.25 -1.61 117.00 128.61 3bz4 n LEU 15 Ca -0.00 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 3bz4 n LEU 15 Cb 0.44 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 3bz4 n LEU 15 CO 0.55 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3bz4 n GLY 16 N 0.66 2.35 4.00 -0.72 0.00 -0.23 -4.91 105.19 106.34 3bz4 n GLY 16 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3bz4 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bz4 s THR 17 N -2.71 2.39 0.08 2.61 -4.23 -0.64 -4.41 115.64 108.74 3bz4 s THR 17 Ca 0.00 -1.08 -0.12 0.00 -1.18 0.00 0.00 61.69 59.31 3bz4 s THR 17 Cb 0.00 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 3bz4 s THR 17 CO 0.00 0.00 0.45 -0.94 -0.54 0.00 0.00 174.62 173.59 3bz4 s SER 18 N -4.49 6.73 0.18 3.99 1.04 -0.70 -0.65 113.70 119.81 3bz4 s SER 18 Ca 0.56 0.91 0.08 0.00 0.48 0.00 0.00 55.95 57.99 3bz4 s SER 18 Cb -0.06 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 3bz4 s SER 18 CO 0.35 0.19 -0.05 0.00 0.98 0.00 0.00 173.24 174.70 3bz4 s ALA 19 N -1.34 3.06 -0.06 5.32 0.00 0.53 -4.94 121.76 124.34 3bz4 s ALA 19 Ca 0.32 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3bz4 s ALA 19 Cb -0.15 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.15 3bz4 s ALA 19 CO 0.17 0.47 0.01 0.45 0.00 0.00 0.00 175.76 176.86 3bz4 s SER 20 N -2.91 1.26 -0.15 0.00 0.15 -1.26 -1.02 113.70 109.78 3bz4 s SER 20 Ca 0.26 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.89 3bz4 s SER 20 Cb -0.09 -0.33 0.01 0.00 -1.71 0.00 0.00 66.02 63.90 3bz4 s SER 20 CO 0.17 -0.19 -0.20 -0.63 1.20 0.00 0.00 173.24 173.59 3bz4 s ILE 21 N 1.82 2.23 0.21 6.45 1.01 0.51 -4.98 121.20 128.45 3bz4 s ILE 21 Ca 0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 3bz4 s ILE 21 Cb -0.12 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 3bz4 s ILE 21 CO -0.04 0.54 0.42 -0.44 0.00 0.00 0.00 174.94 175.42 3bz4 s SER 22 N 0.83 6.42 0.00 3.58 0.01 -1.26 -0.07 113.70 123.21 3bz4 s SER 22 Ca -0.06 0.50 -0.10 0.00 1.31 0.00 0.00 55.95 57.60 3bz4 s SER 22 Cb -0.15 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.03 3bz4 s SER 22 CO -0.02 -0.05 0.20 0.00 0.41 0.00 0.00 173.24 173.78 3bz4 s ARG 24 N -1.53 0.69 0.01 0.00 1.70 -0.61 -0.90 118.95 118.32 3bz4 s ARG 24 Ca -0.13 -1.06 0.08 0.00 -0.47 0.00 0.00 55.73 54.15 3bz4 s ARG 24 Cb -0.06 -0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.02 3bz4 s ARG 24 CO 0.02 0.02 -0.25 -1.54 -1.08 0.00 0.00 175.30 172.47 3bz4 s SER 25 N -2.32 3.23 0.28 -2.89 1.04 -0.25 -0.02 113.70 112.78 3bz4 s SER 25 Ca 0.01 -0.50 0.25 0.00 0.48 0.00 0.00 55.95 56.19 3bz4 s SER 25 Cb -0.02 -0.37 0.93 0.00 0.10 0.00 0.00 66.02 66.66 3bz4 s SER 25 CO -0.02 0.29 1.76 0.77 0.98 0.00 0.00 173.24 177.01 3bz4 h SER 26 N 5.07 0.00 -4.30 7.02 4.64 -1.59 -3.44 113.55 120.95 3bz4 h SER 26 Ca -0.45 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 3bz4 h SER 26 Cb 1.14 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.96 3bz4 h SER 26 CO 0.46 0.00 -0.82 -0.54 -0.87 0.00 0.00 176.83 175.05 3bz4 s LYS 27 N -3.28 1.26 0.35 4.77 1.02 -1.26 -4.97 119.74 117.62 3bz4 s LYS 27 Ca 0.06 -0.77 -0.06 0.00 0.02 0.00 0.00 55.97 55.22 3bz4 s LYS 27 Cb 0.10 -1.29 0.09 0.00 -0.52 0.00 0.00 37.83 36.21 3bz4 s LYS 27 CO 0.49 0.34 0.23 0.45 -0.92 0.00 0.00 175.35 175.94 3bz4 n SER 27 N 2.15 -2.15 -1.96 2.83 2.88 -1.26 -4.72 113.62 111.39 3bz4 n SER 27 Ca -0.16 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 3bz4 n SER 27 Cb 0.54 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 3bz4 n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3bz4 n LEU 27 N 0.00 -3.57 -4.93 2.46 7.94 -1.26 -4.99 117.00 112.65 3bz4 n LEU 27 Ca 0.04 2.27 -0.25 0.00 -1.11 0.00 0.00 56.01 56.95 3bz4 n LEU 27 Cb 0.15 -2.48 -0.02 0.00 0.53 0.00 0.00 43.42 41.60 3bz4 n LEU 27 CO 0.10 -1.56 0.19 -2.28 -1.11 0.00 0.00 177.39 172.73 3bz4 s HIS 27 N -0.31 3.50 0.60 1.96 5.65 -0.14 -4.98 115.29 121.56 3bz4 s HIS 27 Ca 0.00 0.44 0.30 0.00 0.25 0.00 0.00 55.06 56.05 3bz4 s HIS 27 Cb 0.00 -1.96 1.66 0.00 -1.18 0.00 0.00 32.58 31.10 3bz4 s HIS 27 CO 0.00 0.11 2.05 0.66 -0.65 0.00 0.00 174.74 176.92 3bz4 h SER 27 N 0.95 0.00 0.00 9.88 4.64 -2.03 0.12 113.55 127.12 3bz4 h SER 27 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3bz4 h SER 27 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3bz4 h SER 27 CO 0.63 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 3bz4 n ASP 28 N -3.64 0.00 0.00 4.97 5.68 -1.26 -4.87 116.55 117.43 3bz4 n ASP 28 Ca 0.02 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.48 3bz4 n ASP 28 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3bz4 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bz4 n GLY 29 N 0.60 1.01 3.80 6.12 0.00 0.42 -5.03 105.19 112.10 3bz4 n GLY 29 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3bz4 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bz4 s ILE 30 N -3.04 4.97 -0.36 -0.61 1.01 -1.25 -4.86 121.20 117.05 3bz4 s ILE 30 Ca 0.00 0.99 -0.15 0.00 0.00 0.00 0.00 60.65 61.50 3bz4 s ILE 30 Cb 0.00 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 3bz4 s ILE 30 CO 0.00 0.51 0.32 -0.89 0.00 0.00 0.00 174.94 174.88 3bz4 s THR 31 N -0.68 5.21 -1.39 2.92 2.01 -1.26 -0.97 115.64 121.48 3bz4 s THR 31 Ca 0.26 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 61.96 3bz4 s THR 31 Cb -0.17 -3.83 0.09 0.00 0.01 0.00 0.00 72.50 68.59 3bz4 s THR 31 CO 0.15 -0.14 2.26 -1.22 -0.69 0.00 0.00 174.62 174.98 3bz4 n TYR 32 N 5.28 2.88 -5.17 4.92 4.02 -1.26 -2.69 117.16 125.15 3bz4 n TYR 32 Ca -0.10 -2.89 -0.32 0.00 -0.01 0.00 0.00 57.90 54.58 3bz4 n TYR 32 Cb 0.49 -2.14 -0.16 0.00 -0.02 0.00 0.00 39.34 37.51 3bz4 n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3bz4 s LEU 33 N -0.10 2.22 0.02 7.72 1.98 -1.26 -1.42 118.68 127.84 3bz4 s LEU 33 Ca 0.50 -0.45 0.04 0.00 -2.89 0.00 0.00 54.13 51.33 3bz4 s LEU 33 Cb 0.14 -1.42 -0.02 0.00 0.66 0.00 0.00 46.19 45.56 3bz4 s LEU 33 CO -0.05 0.25 -0.12 -0.31 -1.89 0.00 0.00 176.35 174.23 3bz4 s TYR 34 N -0.22 1.08 -0.06 5.38 1.51 -0.36 0.18 117.35 124.87 3bz4 s TYR 34 Ca -0.02 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 55.81 3bz4 s TYR 34 Cb -0.13 -0.67 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 3bz4 s TYR 34 CO 0.03 0.00 -0.20 -1.58 -1.11 0.00 0.00 175.55 172.69 3bz4 s TRP 35 N -0.60 2.55 0.09 2.71 0.52 -0.48 -1.34 118.94 122.39 3bz4 s TRP 35 Ca 0.02 -0.48 0.10 0.00 0.02 0.00 0.00 56.10 55.76 3bz4 s TRP 35 Cb -0.06 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 3bz4 s TRP 35 CO 0.00 -0.06 -0.26 0.71 0.02 0.00 0.00 176.95 177.37 3bz4 s TYR 36 N -0.36 2.26 -0.10 -1.98 2.02 -0.06 -0.69 117.35 118.44 3bz4 s TYR 36 Ca 0.03 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3bz4 s TYR 36 Cb -0.12 -1.29 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 3bz4 s TYR 36 CO 0.02 0.23 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.88 3bz4 s LEU 37 N -1.66 2.49 -0.37 -1.29 2.96 0.02 -0.48 118.68 120.35 3bz4 s LEU 37 Ca 0.12 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3bz4 s LEU 37 Cb -0.10 -1.52 0.10 0.00 0.50 0.00 0.00 46.19 45.17 3bz4 s LEU 37 CO 0.04 0.21 0.11 -1.58 -1.32 0.00 0.00 176.35 173.81 3bz4 s GLN 38 N 0.06 1.77 0.55 1.98 0.74 0.07 -0.50 119.66 124.33 3bz4 s GLN 38 Ca -0.07 -1.82 -0.17 0.00 0.05 0.00 0.00 55.36 53.35 3bz4 s GLN 38 Cb -0.15 -3.37 -0.06 0.00 1.10 0.00 0.00 33.01 30.54 3bz4 s GLN 38 CO 0.05 -0.98 1.04 0.15 -0.55 0.00 0.00 175.29 175.01 3bz4 s LYS 39 N 1.03 3.53 0.05 1.67 1.02 -1.26 -1.93 119.74 123.84 3bz4 s LYS 39 Ca 0.09 1.23 -0.36 0.00 0.02 0.00 0.00 55.97 56.94 3bz4 s LYS 39 Cb -0.21 -2.06 -0.15 0.00 -0.52 0.00 0.00 37.83 34.89 3bz4 s LYS 39 CO -0.06 -0.64 1.49 -2.30 -0.92 0.00 0.00 175.35 172.92 3bz4 n PRO 40 N -1.67 1.48 -0.93 -1.68 -0.02 -1.26 -0.79 135.00 130.13 3bz4 n PRO 40 Ca 0.09 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3bz4 n PRO 40 Cb 0.53 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3bz4 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bz4 n GLY 41 N 3.10 0.77 3.76 -1.23 0.00 -1.26 -5.01 105.19 105.33 3bz4 n GLY 41 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3bz4 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bz4 s GLN 42 N -0.19 2.32 0.76 1.61 -0.21 0.03 -5.13 119.66 118.84 3bz4 s GLN 42 Ca 0.00 -1.70 -0.12 0.00 0.02 0.00 0.00 55.36 53.56 3bz4 s GLN 42 Cb 0.00 -2.11 0.05 0.00 1.00 0.00 0.00 33.01 31.95 3bz4 s GLN 42 CO 0.00 -0.07 1.11 -1.12 -2.12 0.00 0.00 175.29 173.09 3bz4 s SER 43 N -3.93 4.92 0.62 5.90 0.01 -1.26 -4.63 113.70 115.33 3bz4 s SER 43 Ca 0.41 1.15 -0.17 0.00 1.31 0.00 0.00 55.95 58.65 3bz4 s SER 43 Cb 0.01 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.33 3bz4 s SER 43 CO 0.24 -1.68 1.16 -2.84 0.41 0.00 0.00 173.24 170.53 3bz4 s PRO 44 N -5.30 2.88 0.02 12.44 0.02 -1.26 -4.36 135.00 139.44 3bz4 s PRO 44 Ca 0.60 1.65 0.01 0.00 0.02 0.00 0.00 61.00 63.27 3bz4 s PRO 44 Cb -0.12 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 3bz4 s PRO 44 CO 0.52 -1.24 -0.05 -3.38 -0.33 0.00 0.00 177.00 172.53 3bz4 s HIS 45 N -1.90 0.39 0.11 6.54 -3.43 0.35 -4.95 115.29 112.39 3bz4 s HIS 45 Ca 0.73 -0.45 -0.31 0.00 -0.80 0.00 0.00 55.06 54.23 3bz4 s HIS 45 Cb -0.26 -0.25 -0.08 0.00 -1.43 0.00 0.00 32.58 30.56 3bz4 s HIS 45 CO 0.36 -0.13 1.39 -1.17 -2.00 0.00 0.00 174.74 173.19 3bz4 s LEU 46 N -1.29 4.37 -0.20 5.38 2.96 -1.26 -0.80 118.68 127.83 3bz4 s LEU 46 Ca -0.11 2.31 -0.08 0.00 -0.22 0.00 0.00 54.13 56.03 3bz4 s LEU 46 Cb -0.09 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 3bz4 s LEU 46 CO -0.00 -0.65 -0.24 0.18 -1.32 0.00 0.00 176.35 174.31 3bz4 n LEU 47 N 4.02 1.70 -3.85 -0.68 4.77 0.13 -4.76 117.00 118.34 3bz4 n LEU 47 Ca 0.12 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.14 3bz4 n LEU 47 Cb 0.42 -0.61 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 3bz4 n LEU 47 CO 0.59 0.49 -0.37 -0.63 -1.33 0.00 0.00 177.39 176.14 3bz4 s ILE 48 N -2.37 0.08 0.19 -0.08 -1.09 -0.99 -1.36 121.20 115.58 3bz4 s ILE 48 Ca -0.28 0.04 0.08 0.00 -2.23 0.00 0.00 60.65 58.26 3bz4 s ILE 48 Cb 0.10 -0.13 -0.04 0.00 -1.58 0.00 0.00 42.46 40.81 3bz4 s ILE 48 CO 0.37 0.07 -0.17 -0.72 -1.23 0.00 0.00 174.94 173.26 3bz4 s TYR 49 N 0.44 1.80 -1.47 3.97 1.13 0.42 -1.38 117.35 122.26 3bz4 s TYR 49 Ca -0.04 -0.50 -0.09 0.00 -1.41 0.00 0.00 57.07 55.04 3bz4 s TYR 49 Cb -0.06 -0.86 0.06 0.00 -1.10 0.00 0.00 41.96 39.99 3bz4 s TYR 49 CO -0.01 0.37 0.80 0.72 -2.51 0.00 0.00 175.55 174.91 3bz4 n HIS 50 N -0.04 -2.03 0.00 -3.49 8.25 -0.97 -1.77 115.22 115.17 3bz4 n HIS 50 Ca -0.10 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 3bz4 n HIS 50 Cb 0.59 -3.94 0.00 0.00 1.12 0.00 0.00 29.99 27.76 3bz4 n HIS 50 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3bz4 n LEU 51 N -4.49 0.00 0.00 2.41 7.94 0.13 -4.21 117.00 118.77 3bz4 n LEU 51 Ca -0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 3bz4 n LEU 51 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 3bz4 n LEU 51 CO 0.75 0.00 0.09 -1.20 -1.11 0.00 0.00 177.39 175.92 3bz4 n SER 52 N 2.01 0.00 -4.71 1.96 7.64 -1.18 -4.19 113.62 115.15 3bz4 n SER 52 Ca 0.00 -1.00 -0.37 0.00 1.01 0.00 0.00 58.87 58.51 3bz4 n SER 52 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 3bz4 n SER 52 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3bz4 s ASN 53 N 0.00 6.46 0.14 6.43 0.01 -0.73 -4.73 114.94 122.52 3bz4 s ASN 53 Ca 0.00 0.53 -0.30 0.00 -0.71 0.00 0.00 52.86 52.38 3bz4 s ASN 53 Cb 0.00 -2.21 -0.07 0.00 0.41 0.00 0.00 41.25 39.38 3bz4 s ASN 53 CO 0.00 0.03 1.07 -0.76 -1.51 0.00 0.00 177.10 175.93 3bz4 s LEU 54 N 0.78 4.47 0.79 0.60 1.02 -1.26 -0.43 118.68 124.65 3bz4 s LEU 54 Ca 0.18 1.99 -0.11 0.00 0.02 0.00 0.00 54.13 56.22 3bz4 s LEU 54 Cb -0.14 -3.60 0.07 0.00 0.02 0.00 0.00 46.19 42.54 3bz4 s LEU 54 CO 0.06 -0.21 1.09 0.00 0.02 0.00 0.00 176.35 177.31 3bz4 s ALA 55 N 0.02 2.14 0.22 4.21 0.00 -0.46 -4.87 121.76 123.01 3bz4 s ALA 55 Ca 0.50 0.21 -0.32 0.00 0.00 0.00 0.00 51.96 52.35 3bz4 s ALA 55 Cb -0.28 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.45 3bz4 s ALA 55 CO 0.33 -1.86 1.42 0.45 0.00 0.00 0.00 175.76 176.09 3bz4 n SER 56 N -3.58 2.68 0.00 0.00 2.88 -1.26 -1.92 113.62 112.42 3bz4 n SER 56 Ca 0.09 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 3bz4 n SER 56 Cb 0.53 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 3bz4 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bz4 n GLY 57 N 2.37 2.16 3.72 0.46 0.00 -1.26 -5.02 105.19 107.62 3bz4 n GLY 57 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3bz4 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bz4 s VAL 58 N -3.03 4.64 0.53 1.61 1.01 -0.81 -5.02 120.40 119.33 3bz4 s VAL 58 Ca 0.00 2.02 -0.22 0.00 0.00 0.00 0.00 61.98 63.78 3bz4 s VAL 58 Cb 0.00 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 3bz4 s VAL 58 CO 0.00 0.23 1.34 -2.16 0.00 0.00 0.00 175.10 174.51 3bz4 s PRO 59 N 0.53 3.22 0.00 2.72 0.04 -1.26 -4.90 135.00 135.35 3bz4 s PRO 59 Ca 0.50 2.18 0.09 0.00 0.04 0.00 0.00 61.00 63.82 3bz4 s PRO 59 Cb -0.23 -2.28 0.48 0.00 0.04 0.00 0.00 34.50 32.51 3bz4 s PRO 59 CO 0.29 -1.11 1.17 -0.40 0.04 0.00 0.00 177.00 176.99 3bz4 n ASP 60 N -0.96 0.00 0.29 6.66 5.68 -1.26 -2.23 116.55 124.73 3bz4 n ASP 60 Ca 0.10 0.13 0.16 0.00 -0.50 0.00 0.00 54.79 54.68 3bz4 n ASP 60 Cb 0.45 -0.27 0.85 0.00 -1.14 0.00 0.00 41.12 41.01 3bz4 n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3bz4 h ARG 61 N 0.00 0.00 -5.89 0.11 3.08 -1.94 -3.42 114.38 106.31 3bz4 h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3bz4 h ARG 61 Cb 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 3bz4 h ARG 61 CO 0.00 0.06 -0.09 -0.06 -1.07 0.00 0.00 179.97 178.81 3bz4 s PHE 62 N -4.16 3.59 0.08 3.04 0.40 -0.95 -0.93 117.98 119.05 3bz4 s PHE 62 Ca -0.03 1.02 -0.13 0.00 -0.60 0.00 0.00 56.93 57.19 3bz4 s PHE 62 Cb 0.13 -2.56 0.02 0.00 0.51 0.00 0.00 43.02 41.12 3bz4 s PHE 62 CO 0.54 0.27 0.31 -1.54 0.70 0.00 0.00 175.22 175.50 3bz4 s SER 63 N 0.20 -0.10 -0.11 1.36 1.04 -0.47 -4.98 113.70 110.64 3bz4 s SER 63 Ca 0.28 -0.36 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 3bz4 s SER 63 Cb -0.16 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.39 3bz4 s SER 63 CO 0.13 -0.73 0.41 -0.55 0.98 0.00 0.00 173.24 173.48 3bz4 s SER 64 N -2.55 -0.39 0.18 7.02 0.15 -1.26 -0.05 113.70 116.80 3bz4 s SER 64 Ca 0.01 0.64 -0.05 0.00 0.70 0.00 0.00 55.95 57.24 3bz4 s SER 64 Cb 0.02 0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 64.99 3bz4 s SER 64 CO -0.09 -0.26 0.20 -0.94 1.20 0.00 0.00 173.24 173.36 3bz4 s SER 65 N -0.28 0.13 0.00 5.45 1.04 -0.86 -4.32 113.70 114.85 3bz4 s SER 65 Ca -0.04 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.25 3bz4 s SER 65 Cb -0.03 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3bz4 s SER 65 CO 0.02 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.98 3bz4 n GLY 66 N -0.23 0.82 0.00 7.32 0.00 -1.26 -0.61 105.19 111.24 3bz4 n GLY 66 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3bz4 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bz4 n SER 67 N 0.00 0.00 0.24 1.61 3.41 0.32 -4.97 113.62 114.23 3bz4 n SER 67 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 3bz4 n SER 67 Cb 0.00 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.48 3bz4 n SER 67 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3bz4 h GLY 68 N 0.00 0.00 0.00 5.00 0.00 -1.96 -3.39 103.07 102.71 3bz4 h GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bz4 h GLY 68 CO 0.00 0.00 -0.43 -1.30 0.00 0.00 0.00 176.54 174.81 3bz4 n THR 69 N -2.96 0.00 -4.17 4.70 -2.24 -1.26 -4.28 114.28 104.07 3bz4 n THR 69 Ca 0.02 -0.13 -0.19 0.00 -2.27 0.00 0.00 64.05 61.47 3bz4 n THR 69 Cb 0.36 0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 69.02 3bz4 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3bz4 s ASP 70 N -1.13 0.87 0.04 3.42 1.01 -1.26 -1.09 116.67 118.53 3bz4 s ASP 70 Ca 0.00 -0.12 -0.03 0.00 0.71 0.00 0.00 52.55 53.11 3bz4 s ASP 70 Cb 0.00 -0.38 -0.02 0.00 1.01 0.00 0.00 42.92 43.53 3bz4 s ASP 70 CO 0.00 -0.03 0.04 -0.36 0.21 0.00 0.00 175.17 175.02 3bz4 s PHE 71 N 0.74 0.32 -0.09 4.23 0.08 -0.08 -0.52 117.98 122.66 3bz4 s PHE 71 Ca -0.10 -0.71 -0.03 0.00 0.12 0.00 0.00 56.93 56.21 3bz4 s PHE 71 Cb -0.13 -0.23 0.04 0.00 -0.57 0.00 0.00 43.02 42.13 3bz4 s PHE 71 CO 0.00 -0.35 0.08 0.99 -0.10 0.00 0.00 175.22 175.84 3bz4 s THR 72 N -2.94 -0.12 -0.03 0.64 2.01 0.22 -1.45 115.64 113.98 3bz4 s THR 72 Ca -0.02 0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.97 3bz4 s THR 72 Cb 0.01 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 3bz4 s THR 72 CO -0.06 0.02 0.68 -0.22 -0.69 0.00 0.00 174.62 174.35 3bz4 s LEU 73 N 2.17 4.37 -0.06 4.42 2.96 0.89 -2.02 118.68 131.41 3bz4 s LEU 73 Ca 0.04 1.23 0.05 0.00 -0.22 0.00 0.00 54.13 55.24 3bz4 s LEU 73 Cb -0.13 -3.07 -0.01 0.00 0.50 0.00 0.00 46.19 43.48 3bz4 s LEU 73 CO -0.05 -0.03 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.11 3bz4 s ARG 74 N 0.36 2.52 -0.24 1.98 3.52 0.93 -0.36 118.95 127.65 3bz4 s ARG 74 Ca 0.36 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 55.10 3bz4 s ARG 74 Cb -0.18 -2.09 0.03 0.00 -1.56 0.00 0.00 34.95 31.15 3bz4 s ARG 74 CO 0.19 0.32 -0.09 0.42 -0.81 0.00 0.00 175.30 175.34 3bz4 s ILE 75 N -0.04 2.64 -0.06 4.11 1.01 -0.18 -1.37 121.20 127.31 3bz4 s ILE 75 Ca -0.06 -1.14 -0.25 0.00 0.00 0.00 0.00 60.65 59.20 3bz4 s ILE 75 Cb -0.14 -2.35 -0.24 0.00 0.01 0.00 0.00 42.46 39.73 3bz4 s ILE 75 CO 0.04 0.19 1.01 0.77 0.00 0.00 0.00 174.94 176.95 3bz4 h SER 76 N 7.96 0.22 -3.42 3.58 4.64 -1.32 0.15 113.55 125.36 3bz4 h SER 76 Ca -0.32 -0.80 -0.61 0.00 -0.47 0.00 0.00 61.79 59.59 3bz4 h SER 76 Cb 1.10 -0.07 -0.40 0.00 -0.31 0.00 0.00 62.40 62.72 3bz4 h SER 76 CO 0.56 0.99 -0.73 -0.13 -0.87 0.00 0.00 176.83 176.65 3bz4 s ARG 77 N -3.04 1.49 0.36 4.77 0.52 -1.25 -1.73 118.95 120.07 3bz4 s ARG 77 Ca -0.16 -2.28 -0.28 0.00 -0.52 0.00 0.00 55.73 52.49 3bz4 s ARG 77 Cb 0.01 -2.51 -0.11 0.00 0.52 0.00 0.00 34.95 32.86 3bz4 s ARG 77 CO 0.74 -1.20 1.42 0.08 0.02 0.00 0.00 175.30 176.37 3bz4 s VAL 78 N -0.01 2.31 0.25 3.52 1.01 0.18 -4.62 120.40 123.04 3bz4 s VAL 78 Ca 0.20 0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.59 3bz4 s VAL 78 Cb -0.19 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3bz4 s VAL 78 CO -0.04 0.07 -0.05 -1.61 0.00 0.00 0.00 175.10 173.47 3bz4 s GLU 79 N -1.91 2.16 0.33 2.72 2.02 -1.26 -1.07 118.70 121.69 3bz4 s GLU 79 Ca 0.52 -1.43 0.04 0.00 0.02 0.00 0.00 54.97 54.11 3bz4 s GLU 79 Cb -0.44 -2.11 0.64 0.00 0.10 0.00 0.00 34.13 32.32 3bz4 s GLU 79 CO 0.59 0.38 1.93 0.00 0.02 0.00 0.00 175.26 178.17 3bz4 h ALA 80 N 2.16 1.62 0.00 5.21 0.00 -1.91 -1.52 119.26 124.82 3bz4 h ALA 80 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3bz4 h ALA 80 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3bz4 h ALA 80 CO 0.59 0.24 0.00 -0.85 0.00 0.00 0.00 179.25 179.23 3bz4 n GLU 81 N -4.49 0.06 0.00 0.00 0.28 -1.12 -2.80 120.64 112.57 3bz4 n GLU 81 Ca 0.13 0.19 0.14 0.00 -0.16 0.00 0.00 57.16 57.46 3bz4 n GLU 81 Cb 0.23 -1.50 0.67 0.00 1.43 0.00 0.00 31.44 32.28 3bz4 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3bz4 n ASP 82 N -1.45 0.00 -4.76 -1.84 8.00 -0.57 -4.88 116.55 111.05 3bz4 n ASP 82 Ca 0.05 0.23 -0.38 0.00 0.71 0.00 0.00 54.79 55.40 3bz4 n ASP 82 Cb 0.18 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.88 3bz4 n ASP 82 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3bz4 s VAL 83 N -2.82 2.53 -5.00 2.53 -7.23 -1.12 -4.87 120.40 104.42 3bz4 s VAL 83 Ca 0.20 0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 3bz4 s VAL 83 Cb 0.19 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.91 3bz4 s VAL 83 CO 0.50 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 3bz4 n GLY 84 N 0.61 -0.48 3.49 2.32 0.00 -1.24 -4.52 105.19 105.37 3bz4 n GLY 84 Ca 0.08 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 3bz4 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bz4 s ILE 85 N -2.42 4.08 -0.24 -0.61 1.01 -0.81 -1.11 121.20 121.10 3bz4 s ILE 85 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.28 3bz4 s ILE 85 Cb 0.00 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3bz4 s ILE 85 CO 0.00 0.45 0.11 -0.31 0.00 0.00 0.00 174.94 175.19 3bz4 s TYR 86 N 0.73 3.21 -0.06 3.97 1.51 -0.09 -0.75 117.35 125.86 3bz4 s TYR 86 Ca 0.00 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 3bz4 s TYR 86 Cb -0.14 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 3bz4 s TYR 86 CO 0.02 -0.09 -0.12 0.71 -1.11 0.00 0.00 175.55 174.96 3bz4 s TYR 87 N 1.20 2.76 0.14 2.71 2.02 0.37 -1.03 117.35 125.52 3bz4 s TYR 87 Ca 0.06 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 3bz4 s TYR 87 Cb -0.14 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 3bz4 s TYR 87 CO 0.05 0.19 0.27 0.00 -1.57 0.00 0.00 175.55 174.49 3bz4 s ALA 89 N -1.72 -1.22 0.27 0.00 0.00 -0.45 -0.59 121.76 118.05 3bz4 s ALA 89 Ca 0.34 0.67 0.07 0.00 0.00 0.00 0.00 51.96 53.04 3bz4 s ALA 89 Cb -0.11 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3bz4 s ALA 89 CO 0.28 -0.37 0.26 -3.38 0.00 0.00 0.00 175.76 172.55 3bz4 s HIS 90 N -1.69 3.13 -0.42 0.00 -3.43 -1.21 -1.22 115.29 110.45 3bz4 s HIS 90 Ca -0.10 -0.14 0.10 0.00 -0.80 0.00 0.00 55.06 54.13 3bz4 s HIS 90 Cb -0.02 -1.53 0.34 0.00 -1.43 0.00 0.00 32.58 29.93 3bz4 s HIS 90 CO 0.04 0.42 0.75 -1.71 -2.00 0.00 0.00 174.74 172.24 3bz4 n ASN 91 N -1.28 1.55 -0.00 7.38 5.15 -0.50 -4.64 115.26 122.92 3bz4 n ASN 91 Ca -0.07 -3.12 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 3bz4 n ASN 91 Cb 0.58 -0.61 -0.00 0.00 -0.53 0.00 0.00 39.78 39.22 3bz4 n ASN 91 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3bz4 n VAL 92 N 0.31 0.00 -3.59 3.44 0.24 -1.26 -4.86 118.33 112.61 3bz4 n VAL 92 Ca 0.26 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.34 62.02 3bz4 n VAL 92 Cb 0.59 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.94 3bz4 n VAL 92 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3bz4 s GLU 93 N -0.94 0.56 -0.03 7.34 -1.05 -1.26 -5.14 118.70 118.18 3bz4 s GLU 93 Ca 0.00 -0.24 -0.10 0.00 -0.15 0.00 0.00 54.97 54.48 3bz4 s GLU 93 Cb 0.00 0.24 -0.05 0.00 -0.44 0.00 0.00 34.13 33.88 3bz4 s GLU 93 CO 0.02 -0.25 0.28 -0.51 0.95 0.00 0.00 175.26 175.75 3bz4 s LEU 94 N -2.48 4.41 0.44 1.83 1.43 -1.26 -3.82 118.68 119.23 3bz4 s LEU 94 Ca 0.09 0.68 -0.22 0.00 -1.03 0.00 0.00 54.13 53.65 3bz4 s LEU 94 Cb -0.00 -2.46 -0.09 0.00 0.03 0.00 0.00 46.19 43.67 3bz4 s LEU 94 CO -0.05 0.33 1.02 -2.16 0.23 0.00 0.00 176.35 175.72 3bz4 s PRO 95 N -1.29 4.03 -0.00 1.29 0.04 -1.26 -5.04 135.00 132.77 3bz4 s PRO 95 Ca 0.22 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 3bz4 s PRO 95 Cb -0.14 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3bz4 s PRO 95 CO 0.11 -0.23 1.23 1.03 0.04 0.00 0.00 177.00 179.18 3bz4 s ARG 96 N -2.93 4.38 0.15 4.56 0.52 -1.25 -4.75 118.95 119.63 3bz4 s ARG 96 Ca 0.62 1.75 0.07 0.00 -0.52 0.00 0.00 55.73 57.65 3bz4 s ARG 96 Cb -0.17 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 3bz4 s ARG 96 CO 0.21 -0.38 -0.15 0.95 0.02 0.00 0.00 175.30 175.94 3bz4 s THR 97 N 1.76 1.57 0.12 0.02 -4.23 -1.26 -5.09 115.64 108.53 3bz4 s THR 97 Ca 0.58 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 59.28 3bz4 s THR 97 Cb -0.27 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 3bz4 s THR 97 CO 0.26 -0.42 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.36 3bz4 s PHE 98 N -2.29 1.74 0.95 3.99 0.40 -1.26 -3.32 117.98 118.19 3bz4 s PHE 98 Ca 0.14 -0.45 -0.12 0.00 -0.60 0.00 0.00 56.93 55.90 3bz4 s PHE 98 Cb -0.04 -0.92 0.16 0.00 0.51 0.00 0.00 43.02 42.73 3bz4 s PHE 98 CO 0.05 0.23 1.10 0.20 0.70 0.00 0.00 175.22 177.50 3bz4 s GLY 99 N -2.18 1.58 0.27 4.36 0.00 0.24 -4.56 107.32 107.03 3bz4 s GLY 99 Ca 0.09 -0.29 0.24 0.00 0.00 0.00 0.00 44.72 44.76 3bz4 s GLY 99 CO 0.05 0.28 1.72 0.61 0.00 0.00 0.00 173.10 175.76 3bz4 n GLY 100 N -1.25 -1.30 0.00 0.20 0.00 -1.26 -4.74 105.19 96.84 3bz4 n GLY 100 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3bz4 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bz4 n GLY 101 N 0.04 0.93 3.29 -0.02 0.00 -1.26 -5.01 105.19 103.16 3bz4 n GLY 101 Ca 0.02 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 3bz4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bz4 s THR 102 N -0.94 2.81 -0.15 2.61 2.01 -0.20 -4.08 115.64 117.69 3bz4 s THR 102 Ca 0.00 -0.72 -0.23 0.00 0.31 0.00 0.00 61.69 61.05 3bz4 s THR 102 Cb 0.00 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 3bz4 s THR 102 CO 0.00 0.51 0.71 -0.75 -0.69 0.00 0.00 174.62 174.40 3bz4 s LYS 103 N 0.76 4.31 -0.10 4.92 2.20 -0.38 -0.91 119.74 130.53 3bz4 s LYS 103 Ca -0.06 0.82 -0.25 0.00 -0.36 0.00 0.00 55.97 56.13 3bz4 s LYS 103 Cb -0.15 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 3bz4 s LYS 103 CO 0.01 -0.18 0.77 -1.17 -0.36 0.00 0.00 175.35 174.42 3bz4 s LEU 104 N 1.65 4.27 -0.02 5.43 2.96 -0.27 -3.33 118.68 129.37 3bz4 s LEU 104 Ca 0.34 1.21 0.08 0.00 -0.22 0.00 0.00 54.13 55.54 3bz4 s LEU 104 Cb -0.17 -3.17 -0.02 0.00 0.50 0.00 0.00 46.19 43.33 3bz4 s LEU 104 CO 0.13 -0.23 -0.25 -0.70 -1.32 0.00 0.00 176.35 173.98 3bz4 s GLU 105 N 1.33 2.04 0.09 1.98 2.12 -1.26 -3.72 118.70 121.28 3bz4 s GLU 105 Ca 0.39 -0.90 -0.14 0.00 0.36 0.00 0.00 54.97 54.67 3bz4 s GLU 105 Cb -0.18 -1.97 -0.06 0.00 0.26 0.00 0.00 34.13 32.18 3bz4 s GLU 105 CO 0.17 0.54 0.49 0.42 -0.54 0.00 0.00 175.26 176.34 3bz4 s ILE 106 N -0.59 4.92 -0.23 -3.70 -1.09 -1.26 -0.68 121.20 118.56 3bz4 s ILE 106 Ca 0.10 0.83 -0.10 0.00 -2.23 0.00 0.00 60.65 59.24 3bz4 s ILE 106 Cb -0.10 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 3bz4 s ILE 106 CO -0.01 0.38 0.14 -0.75 -1.23 0.00 0.00 174.94 173.47 3bz4 s LYS 107 N -1.61 4.01 0.32 2.79 2.20 0.19 -4.65 119.74 123.00 3bz4 s LYS 107 Ca 0.32 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.68 3bz4 s LYS 107 Cb -0.16 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 3bz4 s LYS 107 CO 0.18 0.06 0.22 -0.98 -0.36 0.00 0.00 175.35 174.46 3bz4 s ARG 108 N 1.04 1.70 0.44 4.03 1.70 -1.26 -3.85 118.95 122.75 3bz4 s ARG 108 Ca 0.07 -1.98 -0.26 0.00 -0.47 0.00 0.00 55.73 53.09 3bz4 s ARG 108 Cb -0.14 0.10 -0.08 0.00 -0.57 0.00 0.00 34.95 34.26 3bz4 s ARG 108 CO 0.04 -0.56 1.39 0.00 -1.08 0.00 0.00 175.30 175.09 3bz4 s ALA 109 N -3.51 3.25 0.23 7.88 0.00 -1.26 -4.94 121.76 123.41 3bz4 s ALA 109 Ca 0.37 1.39 -0.31 0.00 0.00 0.00 0.00 51.96 53.41 3bz4 s ALA 109 Cb 0.03 -3.56 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 3bz4 s ALA 109 CO 0.22 -1.07 1.35 -0.25 0.00 0.00 0.00 175.76 176.00 3bz4 n ASP 110 N -0.09 2.44 -4.04 0.00 8.00 -1.26 -4.74 116.55 116.87 3bz4 n ASP 110 Ca 0.05 1.15 -0.20 0.00 0.71 0.00 0.00 54.79 56.49 3bz4 n ASP 110 Cb 0.42 -1.39 -0.15 0.00 -0.02 0.00 0.00 41.12 39.99 3bz4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bz4 s ALA 111 N -0.15 0.91 0.43 2.24 0.00 -0.44 -4.89 121.76 119.86 3bz4 s ALA 111 Ca 0.68 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.00 3bz4 s ALA 111 Cb -0.69 -0.28 -0.10 0.00 0.00 0.00 0.00 23.12 22.06 3bz4 s ALA 111 CO 0.51 0.19 0.98 0.00 0.00 0.00 0.00 175.76 177.44 3bz4 s ALA 112 N -0.06 3.02 0.47 0.00 0.00 -1.26 -1.34 121.76 122.57 3bz4 s ALA 112 Ca 0.01 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.25 3bz4 s ALA 112 Cb -0.06 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 3bz4 s ALA 112 CO 0.00 -0.02 1.12 -1.25 0.00 0.00 0.00 175.76 175.60 3bz4 s PRO 113 N -3.00 3.78 -0.24 0.00 0.04 -1.26 -4.48 135.00 129.83 3bz4 s PRO 113 Ca 0.62 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 63.11 3bz4 s PRO 113 Cb -0.13 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 3bz4 s PRO 113 CO 0.17 -0.50 0.49 0.99 0.04 0.00 0.00 177.00 178.20 3bz4 s THR 114 N -1.67 5.10 -0.15 1.26 2.01 -0.60 -4.88 115.64 116.71 3bz4 s THR 114 Ca 0.64 0.86 -0.04 0.00 0.31 0.00 0.00 61.69 63.47 3bz4 s THR 114 Cb -0.25 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 3bz4 s THR 114 CO 0.30 0.13 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.65 3bz4 s VAL 115 N 1.99 4.07 -0.03 3.82 1.01 -1.26 -0.85 120.40 129.15 3bz4 s VAL 115 Ca 0.21 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3bz4 s VAL 115 Cb -0.15 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3bz4 s VAL 115 CO 0.09 0.50 -0.11 -0.44 0.00 0.00 0.00 175.10 175.14 3bz4 s SER 116 N 0.23 1.44 0.05 3.32 0.01 -0.59 -4.96 113.70 113.21 3bz4 s SER 116 Ca -0.01 -0.23 0.09 0.00 1.31 0.00 0.00 55.95 57.11 3bz4 s SER 116 Cb -0.14 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 3bz4 s SER 116 CO 0.02 0.08 -0.24 -0.51 0.41 0.00 0.00 173.24 173.01 3bz4 s ILE 117 N 0.22 2.39 -0.07 1.44 2.07 -1.26 -1.24 121.20 124.74 3bz4 s ILE 117 Ca -0.04 -1.36 -0.00 0.00 -1.41 0.00 0.00 60.65 57.83 3bz4 s ILE 117 Cb -0.10 -1.97 0.03 0.00 0.13 0.00 0.00 42.46 40.54 3bz4 s ILE 117 CO 0.01 0.32 -0.03 -0.36 -1.91 0.00 0.00 174.94 172.98 3bz4 s PHE 118 N -0.88 0.79 0.81 3.50 0.08 -0.01 -5.01 117.98 117.26 3bz4 s PHE 118 Ca 0.13 -0.25 -0.11 0.00 0.12 0.00 0.00 56.93 56.82 3bz4 s PHE 118 Cb -0.10 -0.80 0.08 0.00 -0.57 0.00 0.00 43.02 41.62 3bz4 s PHE 118 CO 0.04 -0.30 1.09 -1.25 -0.10 0.00 0.00 175.22 174.70 3bz4 s PRO 119 N 1.54 2.01 0.57 0.24 0.04 -1.26 -1.90 135.00 136.24 3bz4 s PRO 119 Ca -0.01 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 61.51 3bz4 s PRO 119 Cb -0.13 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 3bz4 s PRO 119 CO -0.04 -1.69 1.30 -0.35 0.04 0.00 0.00 177.00 176.27 3bz4 n PRO 120 N -3.49 1.51 -1.91 0.56 -0.04 -1.14 -4.85 135.00 125.65 3bz4 n PRO 120 Ca 0.07 0.56 -0.33 0.00 -0.04 0.00 0.00 63.50 63.76 3bz4 n PRO 120 Cb 0.56 -2.52 0.03 0.00 -0.04 0.00 0.00 33.50 31.53 3bz4 n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3bz4 s SER 121 N -1.02 5.48 0.36 3.54 1.04 -1.26 -4.93 113.70 116.91 3bz4 s SER 121 Ca 0.74 1.90 0.04 0.00 0.48 0.00 0.00 55.95 59.11 3bz4 s SER 121 Cb -0.41 -2.54 0.71 0.00 0.10 0.00 0.00 66.02 63.87 3bz4 s SER 121 CO 0.48 -1.38 2.00 0.77 0.98 0.00 0.00 173.24 176.09 3bz4 h SER 122 N 0.24 0.67 0.00 7.02 4.64 -1.99 -1.66 113.55 122.47 3bz4 h SER 122 Ca -0.47 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3bz4 h SER 122 Cb 1.23 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3bz4 h SER 122 CO 0.56 0.47 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.64 3bz4 h GLU 123 N 0.78 -0.03 -0.75 4.77 3.07 -1.99 -0.12 114.58 120.31 3bz4 h GLU 123 Ca 0.25 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.07 3bz4 h GLU 123 Cb 0.03 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 3bz4 h GLU 123 CO -0.06 -0.02 0.32 0.37 -1.40 0.00 0.00 179.01 178.21 3bz4 h GLN 124 N -0.03 1.12 -0.52 2.33 4.15 -1.81 -2.50 115.11 117.85 3bz4 h GLN 124 Ca 0.01 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.11 3bz4 h GLN 124 Cb 0.04 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 3bz4 h GLN 124 CO -0.02 0.90 -0.14 -0.07 -1.93 0.00 0.00 178.83 177.58 3bz4 h LEU 125 N 1.08 1.02 -1.45 -2.39 3.38 -1.03 -1.39 115.31 114.54 3bz4 h LEU 125 Ca 0.25 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 57.95 3bz4 h LEU 125 Cb 0.19 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3bz4 h LEU 125 CO -0.02 1.15 0.47 0.74 0.09 0.00 0.00 178.44 180.87 3bz4 h THR 126 N 0.88 0.95 0.00 0.22 2.02 -0.86 -0.76 112.91 115.37 3bz4 h THR 126 Ca 0.13 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3bz4 h THR 126 Cb 0.71 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3bz4 h THR 126 CO 0.05 0.12 0.00 -1.54 0.37 0.00 0.00 175.52 174.52 3bz4 n SER 127 N -4.49 0.00 0.00 4.18 3.41 -0.85 -4.91 113.62 110.96 3bz4 n SER 127 Ca 0.11 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3bz4 n SER 127 Cb 0.31 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3bz4 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bz4 n GLY 128 N 0.93 0.81 3.57 5.00 0.00 -0.29 -5.07 105.19 110.14 3bz4 n GLY 128 Ca 0.10 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3bz4 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bz4 s GLY 129 N -2.10 2.24 -0.29 -0.02 0.00 -0.58 -1.58 107.32 104.99 3bz4 s GLY 129 Ca 0.00 -2.11 0.03 0.00 0.00 0.00 0.00 44.72 42.63 3bz4 s GLY 129 CO 0.00 -2.03 0.49 0.00 0.00 0.00 0.00 173.10 171.56 3bz4 s ALA 130 N -2.61 -1.72 -0.14 3.20 0.00 -0.07 -3.23 121.76 117.18 3bz4 s ALA 130 Ca 0.33 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 53.01 3bz4 s ALA 130 Cb 0.03 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 3bz4 s ALA 130 CO 0.17 -1.68 0.03 -1.12 0.00 0.00 0.00 175.76 173.16 3bz4 s SER 131 N 2.68 5.45 -0.15 0.00 0.01 -1.26 0.03 113.70 120.46 3bz4 s SER 131 Ca 0.11 0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.47 3bz4 s SER 131 Cb -0.12 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.31 3bz4 s SER 131 CO -0.26 0.27 -0.10 -0.69 0.41 0.00 0.00 173.24 172.87 3bz4 s VAL 132 N -0.22 3.29 -0.08 3.43 1.01 0.48 -2.87 120.40 125.44 3bz4 s VAL 132 Ca 0.07 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3bz4 s VAL 132 Cb -0.12 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3bz4 s VAL 132 CO 0.02 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 3bz4 s VAL 133 N 0.50 2.41 -0.13 2.92 1.01 -0.80 -0.67 120.40 125.65 3bz4 s VAL 133 Ca -0.07 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.01 3bz4 s VAL 133 Cb -0.15 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3bz4 s VAL 133 CO 0.04 0.56 -0.20 0.00 0.00 0.00 0.00 175.10 175.50 3bz4 s PHE 135 N 0.88 3.18 -0.44 0.00 0.08 -0.38 0.00 117.98 121.31 3bz4 s PHE 135 Ca -0.07 -0.01 -0.03 0.00 0.12 0.00 0.00 56.93 56.95 3bz4 s PHE 135 Cb -0.15 -1.99 0.12 0.00 -0.57 0.00 0.00 43.02 40.42 3bz4 s PHE 135 CO -0.02 0.17 0.24 -0.51 -0.10 0.00 0.00 175.22 175.00 3bz4 s LEU 136 N 0.12 5.29 -0.13 -0.37 1.02 0.59 -1.54 118.68 123.66 3bz4 s LEU 136 Ca 0.03 -2.12 -0.04 0.00 0.02 0.00 0.00 54.13 52.01 3bz4 s LEU 136 Cb -0.13 -1.84 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 3bz4 s LEU 136 CO 0.01 -0.53 0.02 0.20 0.02 0.00 0.00 176.35 176.07 3bz4 s ASN 137 N 1.75 5.30 -0.67 2.29 0.01 -0.03 -0.83 114.94 122.76 3bz4 s ASN 137 Ca 0.09 0.08 -0.03 0.00 -0.71 0.00 0.00 52.86 52.30 3bz4 s ASN 137 Cb -0.23 -1.71 -0.03 0.00 0.41 0.00 0.00 41.25 39.70 3bz4 s ASN 137 CO -0.04 0.28 0.58 0.59 -1.51 0.00 0.00 177.10 177.00 3bz4 n ASN 138 N 2.82 -3.95 -4.65 -1.22 4.13 -0.72 -1.56 115.26 110.11 3bz4 n ASN 138 Ca -0.18 -0.42 -0.23 0.00 1.68 0.00 0.00 54.58 55.43 3bz4 n ASN 138 Cb 0.53 -3.37 -0.07 0.00 -1.54 0.00 0.00 39.78 35.33 3bz4 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3bz4 s PHE 139 N -3.23 2.68 -0.15 3.10 -0.12 0.18 -4.57 117.98 115.86 3bz4 s PHE 139 Ca 0.19 -0.27 -0.12 0.00 -0.05 0.00 0.00 56.93 56.68 3bz4 s PHE 139 Cb -0.03 -1.28 0.04 0.00 -0.63 0.00 0.00 43.02 41.13 3bz4 s PHE 139 CO 0.45 0.57 0.39 -0.47 -0.05 0.00 0.00 175.22 176.11 3bz4 s TYR 140 N -2.36 -0.47 0.98 3.49 6.14 -0.45 -0.66 117.35 124.02 3bz4 s TYR 140 Ca 0.33 1.10 -0.16 0.00 0.64 0.00 0.00 57.07 58.98 3bz4 s TYR 140 Cb -0.05 0.18 0.19 0.00 0.42 0.00 0.00 41.96 42.70 3bz4 s TYR 140 CO 0.20 -0.25 1.24 -1.25 0.64 0.00 0.00 175.55 176.13 3bz4 s PRO 141 N 0.58 0.50 0.45 4.97 0.04 -1.26 -1.33 135.00 138.96 3bz4 s PRO 141 Ca -0.03 -0.18 0.20 0.00 0.04 0.00 0.00 61.00 61.03 3bz4 s PRO 141 Cb -0.05 -1.81 1.18 0.00 0.04 0.00 0.00 34.50 33.86 3bz4 s PRO 141 CO -0.04 -2.54 1.88 1.57 0.04 0.00 0.00 177.00 177.91 3bz4 h LYS 142 N -1.74 0.29 -6.45 4.56 2.10 -1.97 -3.44 116.57 109.93 3bz4 h LYS 142 Ca -0.46 -0.02 -0.54 0.00 -2.00 0.00 0.00 60.65 57.64 3bz4 h LYS 142 Cb 1.27 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3bz4 h LYS 142 CO 0.44 0.19 0.72 -0.51 -2.00 0.00 0.00 179.45 178.29 3bz4 s ASP 143 N -5.72 6.92 0.10 7.07 -0.00 -1.26 -4.99 116.67 118.79 3bz4 s ASP 143 Ca -0.07 2.12 -0.22 0.00 -0.00 0.00 0.00 52.55 54.38 3bz4 s ASP 143 Cb 0.22 -2.57 0.06 0.00 -0.00 0.00 0.00 42.92 40.62 3bz4 s ASP 143 CO 0.77 -0.62 0.53 -0.51 -0.00 0.00 0.00 175.17 175.34 3bz4 s ILE 144 N 1.66 0.03 0.01 0.77 2.07 -1.26 -4.65 121.20 119.83 3bz4 s ILE 144 Ca 0.62 -0.23 0.02 0.00 -1.41 0.00 0.00 60.65 59.66 3bz4 s ILE 144 Cb -0.32 -1.03 -0.01 0.00 0.13 0.00 0.00 42.46 41.23 3bz4 s ILE 144 CO 0.28 -0.12 -0.08 0.21 -1.91 0.00 0.00 174.94 173.32 3bz4 s ASN 145 N -2.40 0.90 -0.04 4.50 3.04 -0.92 -5.01 114.94 115.01 3bz4 s ASN 145 Ca -0.01 -0.28 0.06 0.00 0.04 0.00 0.00 52.86 52.67 3bz4 s ASN 145 Cb -0.00 -0.05 -0.01 0.00 -1.54 0.00 0.00 41.25 39.64 3bz4 s ASN 145 CO -0.07 -0.01 -0.24 0.54 -3.04 0.00 0.00 177.10 174.28 3bz4 s VAL 146 N -0.58 1.93 -0.05 -5.21 0.11 -1.26 -0.67 120.40 114.66 3bz4 s VAL 146 Ca -0.01 -1.01 0.05 0.00 -2.93 0.00 0.00 61.98 58.07 3bz4 s VAL 146 Cb -0.05 -1.62 -0.00 0.00 -1.53 0.00 0.00 36.38 33.17 3bz4 s VAL 146 CO 0.00 0.54 -0.19 -0.75 -3.33 0.00 0.00 175.10 171.37 3bz4 s LYS 147 N -0.25 2.06 -0.04 1.54 2.20 0.64 -4.96 119.74 120.93 3bz4 s LYS 147 Ca 0.00 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 3bz4 s LYS 147 Cb -0.12 -1.74 -0.04 0.00 -1.51 0.00 0.00 37.83 34.42 3bz4 s LYS 147 CO 0.02 0.25 0.16 -1.58 -0.36 0.00 0.00 175.35 173.84 3bz4 s TRP 148 N 0.07 3.52 -0.02 4.03 0.52 -1.26 -0.37 118.94 125.43 3bz4 s TRP 148 Ca -0.06 0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.48 3bz4 s TRP 148 Cb -0.13 -1.84 -0.01 0.00 -1.15 0.00 0.00 33.47 30.34 3bz4 s TRP 148 CO 0.03 0.65 -0.14 0.15 0.02 0.00 0.00 176.95 177.66 3bz4 s LYS 149 N -1.67 1.29 -0.18 4.98 1.02 -0.03 -0.90 119.74 124.25 3bz4 s LYS 149 Ca 0.23 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.70 3bz4 s LYS 149 Cb -0.12 -1.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 3bz4 s LYS 149 CO 0.14 0.27 -0.13 0.42 -0.92 0.00 0.00 175.35 175.13 3bz4 s ILE 150 N -0.18 2.71 -1.59 2.17 1.01 0.46 -1.31 121.20 124.47 3bz4 s ILE 150 Ca 0.02 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 3bz4 s ILE 150 Cb -0.07 -2.17 0.11 0.00 0.01 0.00 0.00 42.46 40.33 3bz4 s ILE 150 CO 0.00 0.49 0.86 0.47 0.00 0.00 0.00 174.94 176.76 3bz4 n ASP 151 N 4.46 -3.77 0.00 3.58 8.00 0.64 -1.29 116.55 128.17 3bz4 n ASP 151 Ca -0.19 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3bz4 n ASP 151 Cb 0.51 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 38.26 3bz4 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bz4 n GLY 152 N -1.58 2.81 3.79 0.44 0.00 -1.26 -5.00 105.19 104.39 3bz4 n GLY 152 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3bz4 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bz4 s SER 153 N -3.90 6.39 0.23 1.61 0.01 -0.41 -4.98 113.70 112.64 3bz4 s SER 153 Ca 0.00 0.46 -0.31 0.00 1.31 0.00 0.00 55.95 57.41 3bz4 s SER 153 Cb 0.00 -2.12 -0.11 0.00 0.21 0.00 0.00 66.02 64.00 3bz4 s SER 153 CO 0.00 0.26 1.60 -0.70 0.41 0.00 0.00 173.24 174.80 3bz4 s GLU 154 N -0.26 4.17 -0.16 12.44 2.12 -1.26 -0.40 118.70 135.35 3bz4 s GLU 154 Ca 0.14 2.48 0.01 0.00 0.36 0.00 0.00 54.97 57.97 3bz4 s GLU 154 Cb -0.12 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.20 3bz4 s GLU 154 CO 0.03 -0.62 -0.20 0.50 -0.54 0.00 0.00 175.26 174.43 3bz4 s ARG 155 N 0.39 2.94 -0.11 4.30 6.06 -0.08 -4.85 118.95 127.58 3bz4 s ARG 155 Ca 0.67 -0.82 0.02 0.00 -2.50 0.00 0.00 55.73 53.11 3bz4 s ARG 155 Cb -0.46 -2.48 -0.08 0.00 0.06 0.00 0.00 34.95 31.99 3bz4 s ARG 155 CO 0.39 -0.14 -0.08 1.04 -2.50 0.00 0.00 175.30 174.00 3bz4 n GLN 156 N 4.43 0.66 -2.92 5.12 6.02 -1.26 -4.14 117.38 125.29 3bz4 n GLN 156 Ca -0.20 0.06 -0.35 0.00 -0.01 0.00 0.00 57.00 56.49 3bz4 n GLN 156 Cb 0.51 -1.24 -0.06 0.00 1.02 0.00 0.00 30.24 30.46 3bz4 n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3bz4 s ASN 157 N -4.99 7.07 0.00 1.08 -0.87 -1.26 -3.44 114.94 112.53 3bz4 s ASN 157 Ca -0.14 1.61 0.00 0.00 -1.57 0.00 0.00 52.86 52.76 3bz4 s ASN 157 Cb 0.04 -2.50 0.00 0.00 -0.02 0.00 0.00 41.25 38.77 3bz4 s ASN 157 CO 0.29 -0.15 0.00 0.61 -2.57 0.00 0.00 177.10 175.28 3bz4 n GLY 158 N 0.11 0.71 3.59 0.66 0.00 -1.26 -4.91 105.19 104.09 3bz4 n GLY 158 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3bz4 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bz4 s VAL 159 N -2.34 4.90 -0.12 1.61 1.01 -1.22 -1.03 120.40 123.21 3bz4 s VAL 159 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3bz4 s VAL 159 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3bz4 s VAL 159 CO 0.00 0.37 -0.18 -0.76 0.00 0.00 0.00 175.10 174.54 3bz4 s LEU 160 N 1.02 1.87 -0.02 3.92 1.43 -0.20 -4.97 118.68 121.74 3bz4 s LEU 160 Ca 0.05 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 3bz4 s LEU 160 Cb -0.14 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 3bz4 s LEU 160 CO 0.04 0.04 -0.18 0.20 0.23 0.00 0.00 176.35 176.68 3bz4 s ASN 161 N 0.90 3.71 -0.01 2.29 0.02 -1.26 -0.87 114.94 119.72 3bz4 s ASN 161 Ca -0.07 -0.33 0.00 0.00 -1.02 0.00 0.00 52.86 51.45 3bz4 s ASN 161 Cb -0.15 -0.65 0.01 0.00 0.02 0.00 0.00 41.25 40.48 3bz4 s ASN 161 CO -0.01 0.32 -0.01 -0.55 0.02 0.00 0.00 177.10 176.87 3bz4 s SER 162 N -0.87 0.22 -0.09 -1.22 0.15 -0.58 -5.01 113.70 106.31 3bz4 s SER 162 Ca 0.12 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.76 3bz4 s SER 162 Cb -0.10 -0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 3bz4 s SER 162 CO 0.01 -0.03 -0.11 0.26 1.20 0.00 0.00 173.24 174.57 3bz4 s TRP 163 N 0.35 2.82 0.74 3.44 0.51 -1.26 -0.90 118.94 124.64 3bz4 s TRP 163 Ca -0.03 -0.26 -0.11 0.00 -2.12 0.00 0.00 56.10 53.58 3bz4 s TRP 163 Cb -0.05 -1.74 0.03 0.00 -0.81 0.00 0.00 33.47 30.90 3bz4 s TRP 163 CO -0.01 0.09 1.08 0.95 -0.51 0.00 0.00 176.95 178.55 3bz4 s THR 164 N -0.34 3.63 0.76 2.01 -4.23 -0.20 -5.00 115.64 112.26 3bz4 s THR 164 Ca 0.04 0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 60.97 3bz4 s THR 164 Cb -0.13 -3.27 0.05 0.00 1.34 0.00 0.00 72.50 70.49 3bz4 s THR 164 CO 0.02 -0.69 1.08 -1.81 -0.54 0.00 0.00 174.62 172.68 3bz4 s ASP 165 N -3.84 4.72 0.24 3.99 1.01 -1.26 -4.65 116.67 116.88 3bz4 s ASP 165 Ca 0.59 1.72 -0.31 0.00 0.71 0.00 0.00 52.55 55.26 3bz4 s ASP 165 Cb -0.14 -2.47 -0.13 0.00 1.01 0.00 0.00 42.92 41.18 3bz4 s ASP 165 CO 0.55 -1.88 1.42 1.67 0.21 0.00 0.00 175.17 177.14 3bz4 n GLN 166 N -3.42 2.09 -2.29 8.23 7.27 -1.26 -4.78 117.38 123.22 3bz4 n GLN 166 Ca 0.08 0.74 -0.42 0.00 0.07 0.00 0.00 57.00 57.48 3bz4 n GLN 166 Cb 0.53 -2.41 -0.03 0.00 2.41 0.00 0.00 30.24 30.74 3bz4 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3bz4 s ASP 167 N 0.31 6.97 0.10 1.69 2.15 0.29 -4.93 116.67 123.25 3bz4 s ASP 167 Ca 0.68 2.25 0.18 0.00 0.43 0.00 0.00 52.55 56.08 3bz4 s ASP 167 Cb -0.64 -2.60 0.76 0.00 -0.30 0.00 0.00 42.92 40.15 3bz4 s ASP 167 CO 0.49 -0.51 1.56 -1.20 -0.17 0.00 0.00 175.17 175.34 3bz4 n SER 168 N 3.27 0.27 -0.11 -0.34 7.64 -1.26 -1.20 113.62 121.89 3bz4 n SER 168 Ca 0.08 0.57 -0.21 0.00 1.01 0.00 0.00 58.87 60.32 3bz4 n SER 168 Cb 0.44 -0.62 -0.09 0.00 -1.01 0.00 0.00 64.21 62.93 3bz4 n SER 168 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bz4 n LYS 169 N -1.79 0.51 -0.01 1.43 4.01 -1.26 -2.78 118.16 118.26 3bz4 n LYS 169 Ca 0.03 0.18 0.01 0.00 -0.51 0.00 0.00 58.31 58.01 3bz4 n LYS 169 Cb 0.19 -1.36 0.01 0.00 -0.51 0.00 0.00 35.03 33.36 3bz4 n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 3bz4 n ASP 170 N -3.64 1.40 -1.29 4.39 5.75 -1.24 -4.91 116.55 117.01 3bz4 n ASP 170 Ca -0.42 -1.31 -0.16 0.00 -0.01 0.00 0.00 54.79 52.89 3bz4 n ASP 170 Cb 0.86 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.88 3bz4 n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3bz4 n SER 171 N -0.03 -4.90 -4.93 -1.12 7.64 -0.34 -4.97 113.62 104.97 3bz4 n SER 171 Ca 0.01 0.35 -0.20 0.00 1.01 0.00 0.00 58.87 60.04 3bz4 n SER 171 Cb 0.10 -3.83 0.05 0.00 -1.01 0.00 0.00 64.21 59.52 3bz4 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3bz4 s THR 172 N -2.61 2.52 0.19 0.44 -4.23 -1.26 -4.67 115.64 106.02 3bz4 s THR 172 Ca 0.00 -0.79 0.11 0.00 -1.18 0.00 0.00 61.69 59.83 3bz4 s THR 172 Cb 0.00 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 3bz4 s THR 172 CO 0.00 0.00 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.55 3bz4 s TYR 173 N -2.74 2.17 0.12 3.99 1.51 0.17 -0.55 117.35 122.02 3bz4 s TYR 173 Ca 0.60 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 3bz4 s TYR 173 Cb -0.08 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 3bz4 s TYR 173 CO 0.39 0.47 -0.08 -1.12 -1.11 0.00 0.00 175.55 174.09 3bz4 s SER 174 N -2.71 1.43 -0.04 2.29 0.01 -1.26 -0.65 113.70 112.76 3bz4 s SER 174 Ca 0.20 -0.99 -0.04 0.00 1.31 0.00 0.00 55.95 56.43 3bz4 s SER 174 Cb -0.07 0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.22 3bz4 s SER 174 CO 0.09 -0.39 0.11 -0.32 0.41 0.00 0.00 173.24 173.14 3bz4 s MET 175 N -3.70 0.12 -0.01 12.44 0.00 -0.01 -1.04 119.30 127.11 3bz4 s MET 175 Ca 0.13 0.18 0.05 0.00 0.00 0.00 0.00 55.69 56.05 3bz4 s MET 175 Cb 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 34.83 34.86 3bz4 s MET 175 CO -0.02 -0.04 -0.15 -1.54 0.00 0.00 0.00 175.02 173.28 3bz4 s SER 176 N 0.22 4.03 -0.07 1.11 1.04 -0.08 -0.30 113.70 119.65 3bz4 s SER 176 Ca -0.01 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.16 3bz4 s SER 176 Cb -0.02 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.32 3bz4 s SER 176 CO -0.01 0.30 -0.11 -0.55 0.98 0.00 0.00 173.24 173.86 3bz4 s SER 177 N -1.11 1.74 -0.12 7.02 0.15 0.10 -1.53 113.70 119.95 3bz4 s SER 177 Ca 0.14 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.53 3bz4 s SER 177 Cb -0.11 -0.79 0.01 0.00 -1.71 0.00 0.00 66.02 63.42 3bz4 s SER 177 CO 0.04 0.00 -0.19 -0.89 1.20 0.00 0.00 173.24 173.40 3bz4 s THR 178 N 0.83 1.79 -0.33 6.45 2.01 -0.05 -0.41 115.64 125.93 3bz4 s THR 178 Ca -0.12 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 60.96 3bz4 s THR 178 Cb -0.15 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.77 3bz4 s THR 178 CO 0.02 0.50 0.16 -0.22 -0.69 0.00 0.00 174.62 174.38 3bz4 s LEU 179 N 0.78 4.25 -0.17 4.42 2.96 0.15 -1.03 118.68 130.05 3bz4 s LEU 179 Ca -0.10 -0.70 -0.03 0.00 -0.22 0.00 0.00 54.13 53.08 3bz4 s LEU 179 Cb -0.16 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3bz4 s LEU 179 CO 0.01 -0.25 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.83 3bz4 s THR 180 N 1.57 3.53 0.28 3.68 2.01 -0.19 -0.39 115.64 126.13 3bz4 s THR 180 Ca 0.03 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.63 3bz4 s THR 180 Cb -0.18 -2.55 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 3bz4 s THR 180 CO 0.06 0.48 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.63 3bz4 s LEU 181 N 0.68 2.52 0.66 4.42 1.43 0.10 -4.71 118.68 123.79 3bz4 s LEU 181 Ca -0.03 -1.17 -0.12 0.00 -1.03 0.00 0.00 54.13 51.78 3bz4 s LEU 181 Cb -0.15 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 3bz4 s LEU 181 CO 0.02 -0.29 1.06 0.42 0.23 0.00 0.00 176.35 177.79 3bz4 s THR 182 N -2.94 3.96 0.26 5.49 -4.23 -1.26 -0.89 115.64 116.02 3bz4 s THR 182 Ca 0.29 0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 61.49 3bz4 s THR 182 Cb 0.03 -3.39 0.25 0.00 1.34 0.00 0.00 72.50 70.72 3bz4 s THR 182 CO 0.12 -0.74 1.87 0.50 -0.54 0.00 0.00 174.62 175.83 3bz4 h LYS 183 N -0.33 1.08 -0.35 3.99 3.64 -1.50 -1.78 116.57 121.31 3bz4 h LYS 183 Ca -0.45 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 3bz4 h LYS 183 Cb 1.21 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3bz4 h LYS 183 CO 0.57 0.72 0.18 0.38 -2.27 0.00 0.00 179.45 179.02 3bz4 h ASP 184 N 1.12 0.26 -0.28 4.20 -0.00 -1.93 -1.27 116.42 118.52 3bz4 h ASP 184 Ca 0.41 0.02 -0.12 0.00 -0.00 0.00 0.00 57.03 57.33 3bz4 h ASP 184 Cb 0.15 -0.03 -0.00 0.00 -0.00 0.00 0.00 39.33 39.44 3bz4 h ASP 184 CO -0.17 0.19 -0.31 -0.08 -0.00 0.00 0.00 179.24 178.88 3bz4 h GLU 185 N 0.36 0.71 -0.93 4.15 4.81 -1.88 -2.85 114.58 118.96 3bz4 h GLU 185 Ca 0.15 -0.38 0.17 0.00 -0.13 0.00 0.00 59.36 59.17 3bz4 h GLU 185 Cb 0.06 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.35 3bz4 h GLU 185 CO -0.10 1.00 0.51 -0.92 -0.73 0.00 0.00 179.01 178.77 3bz4 h TYR 186 N 0.45 0.90 -0.00 0.92 3.20 -1.04 -1.68 116.97 119.72 3bz4 h TYR 186 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3bz4 h TYR 186 Cb 0.89 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3bz4 h TYR 186 CO 0.07 0.19 -0.11 0.39 -1.64 0.00 0.00 178.16 177.06 3bz4 n GLU 187 N -4.84 0.30 0.00 1.82 1.02 -0.50 -2.64 120.64 115.80 3bz4 n GLU 187 Ca 0.20 -0.07 0.14 0.00 -0.02 0.00 0.00 57.16 57.42 3bz4 n GLU 187 Cb 0.52 -1.50 0.63 0.00 -0.02 0.00 0.00 31.44 31.07 3bz4 n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3bz4 n ARG 188 N -1.29 0.78 -4.47 3.49 1.74 -0.63 -4.92 116.66 111.36 3bz4 n ARG 188 Ca 0.11 -0.27 -0.23 0.00 -0.77 0.00 0.00 57.85 56.69 3bz4 n ARG 188 Cb 0.30 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.15 3bz4 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3bz4 s HIS 189 N -2.40 1.88 0.00 -1.55 3.76 -1.08 -5.09 115.29 110.81 3bz4 s HIS 189 Ca 0.31 -1.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 3bz4 s HIS 189 Cb 0.20 -1.23 0.00 0.00 1.11 0.00 0.00 32.58 32.66 3bz4 s HIS 189 CO 0.46 -0.10 0.00 0.09 -0.85 0.00 0.00 174.74 174.34 3bz4 n ASN 190 N -0.87 2.88 -4.39 1.40 4.13 -1.26 -4.82 115.26 112.32 3bz4 n ASN 190 Ca -0.04 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.88 3bz4 n ASN 190 Cb 0.66 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.77 3bz4 n ASN 190 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3bz4 s SER 191 N -3.83 4.45 -0.13 6.41 0.15 -1.26 0.36 113.70 119.85 3bz4 s SER 191 Ca 0.00 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.39 3bz4 s SER 191 Cb 0.00 -1.74 0.02 0.00 -1.71 0.00 0.00 66.02 62.59 3bz4 s SER 191 CO 0.00 0.08 -0.17 -0.31 1.20 0.00 0.00 173.24 174.04 3bz4 s TYR 192 N 0.86 2.24 -0.04 3.44 2.02 -0.55 -0.26 117.35 125.06 3bz4 s TYR 192 Ca -0.01 -1.13 0.02 0.00 -0.37 0.00 0.00 57.07 55.58 3bz4 s TYR 192 Cb -0.15 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 3bz4 s TYR 192 CO 0.01 -0.57 -0.10 0.99 -1.57 0.00 0.00 175.55 174.32 3bz4 s THR 193 N 1.05 0.91 -0.19 -0.71 2.01 -0.43 -1.31 115.64 116.97 3bz4 s THR 193 Ca -0.04 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 3bz4 s THR 193 Cb -0.15 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 3bz4 s THR 193 CO -0.04 0.29 -0.04 0.00 -0.69 0.00 0.00 174.62 174.14 3bz4 s GLU 195 N 1.01 2.93 -0.24 0.00 2.02 0.50 -1.54 118.70 123.39 3bz4 s GLU 195 Ca 0.01 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.11 3bz4 s GLU 195 Cb -0.15 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 3bz4 s GLU 195 CO 0.01 -0.16 0.08 0.00 0.02 0.00 0.00 175.26 175.21 3bz4 s ALA 196 N 1.17 3.24 -0.26 5.21 0.00 0.46 -0.26 121.76 131.32 3bz4 s ALA 196 Ca 0.02 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 3bz4 s ALA 196 Cb -0.14 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 20.91 3bz4 s ALA 196 CO -0.10 -0.35 0.00 0.99 0.00 0.00 0.00 175.76 176.31 3bz4 s THR 197 N 1.36 3.48 0.05 0.00 2.01 0.15 -0.82 115.64 121.88 3bz4 s THR 197 Ca 0.05 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.38 3bz4 s THR 197 Cb -0.15 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 3bz4 s THR 197 CO 0.04 0.23 -0.09 -2.28 -0.69 0.00 0.00 174.62 171.83 3bz4 s HIS 198 N 1.45 0.82 0.61 4.92 2.46 -1.26 -2.16 115.29 122.13 3bz4 s HIS 198 Ca 0.03 -0.51 0.32 0.00 0.47 0.00 0.00 55.06 55.37 3bz4 s HIS 198 Cb -0.16 -0.48 1.85 0.00 -0.13 0.00 0.00 32.58 33.66 3bz4 s HIS 198 CO -0.01 -0.05 2.17 1.57 -2.47 0.00 0.00 174.74 175.95 3bz4 h LYS 199 N 4.36 0.00 0.00 2.88 2.10 -1.94 -1.76 116.57 122.20 3bz4 h LYS 199 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 3bz4 h LYS 199 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3bz4 h LYS 199 CO 0.42 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.12 3bz4 n THR 200 N -3.56 1.44 -3.58 0.07 -2.24 -1.26 -4.74 114.28 100.42 3bz4 n THR 200 Ca -0.01 0.36 -0.17 0.00 -2.27 0.00 0.00 64.05 61.97 3bz4 n THR 200 Cb 0.23 -1.27 -0.07 0.00 -2.10 0.00 0.00 70.33 67.13 3bz4 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3bz4 s SER 201 N -2.89 -0.57 0.27 3.42 0.15 -0.66 -5.01 113.70 108.40 3bz4 s SER 201 Ca 0.03 0.65 0.13 0.00 0.70 0.00 0.00 55.95 57.46 3bz4 s SER 201 Cb 0.04 0.56 0.25 0.00 -1.71 0.00 0.00 66.02 65.15 3bz4 s SER 201 CO 0.10 -0.55 1.53 0.71 1.20 0.00 0.00 173.24 176.23 3bz4 h THR 202 N 3.26 1.19 -3.18 6.45 1.35 -1.85 -3.41 112.91 116.73 3bz4 h THR 202 Ca -0.28 -2.28 -0.59 0.00 -0.55 0.00 0.00 66.41 62.72 3bz4 h THR 202 Cb 1.15 2.32 -0.06 0.00 -1.73 0.00 0.00 68.15 69.83 3bz4 h THR 202 CO 0.37 0.59 -0.14 -0.44 -0.25 0.00 0.00 175.52 175.65 3bz4 s SER 203 N -6.59 6.82 0.66 5.36 0.01 -1.26 -5.06 113.70 113.64 3bz4 s SER 203 Ca 0.01 0.98 -0.16 0.00 1.31 0.00 0.00 55.95 58.09 3bz4 s SER 203 Cb 0.10 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3bz4 s SER 203 CO 0.75 0.20 1.15 -2.16 0.41 0.00 0.00 173.24 173.58 3bz4 s PRO 204 N -0.47 2.69 -0.20 12.44 0.04 -1.26 -4.84 135.00 143.40 3bz4 s PRO 204 Ca 0.26 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 3bz4 s PRO 204 Cb -0.17 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3bz4 s PRO 204 CO 0.13 -1.36 0.38 0.42 0.04 0.00 0.00 177.00 176.61 3bz4 s ILE 205 N -2.12 5.22 -0.03 0.56 1.01 0.00 -4.89 121.20 120.96 3bz4 s ILE 205 Ca 0.70 0.67 0.06 0.00 0.00 0.00 0.00 60.65 62.08 3bz4 s ILE 205 Cb -0.24 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 3bz4 s ILE 205 CO 0.40 0.27 -0.20 -0.69 0.00 0.00 0.00 174.94 174.73 3bz4 s VAL 206 N 1.18 1.59 -0.00 2.92 1.01 -1.26 -0.40 120.40 125.44 3bz4 s VAL 206 Ca 0.18 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3bz4 s VAL 206 Cb -0.14 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 3bz4 s VAL 206 CO 0.07 0.45 -0.06 -0.54 0.00 0.00 0.00 175.10 175.03 3bz4 s LYS 207 N -0.33 0.45 0.21 2.72 -0.14 -0.59 -5.03 119.74 117.04 3bz4 s LYS 207 Ca 0.04 -0.21 -0.08 0.00 -1.36 0.00 0.00 55.97 54.36 3bz4 s LYS 207 Cb -0.09 -0.44 -0.02 0.00 -1.68 0.00 0.00 37.83 35.61 3bz4 s LYS 207 CO 0.00 0.12 0.32 -1.54 -0.76 0.00 0.00 175.35 173.50 3bz4 s SER 208 N -0.15 0.02 0.07 2.83 1.04 -1.26 -0.85 113.70 115.40 3bz4 s SER 208 Ca 0.02 -1.03 -0.13 0.00 0.48 0.00 0.00 55.95 55.29 3bz4 s SER 208 Cb -0.02 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3bz4 s SER 208 CO -0.00 -0.98 0.30 0.72 0.98 0.00 0.00 173.24 174.26 3bz4 s PHE 209 N -4.04 -0.07 -0.16 5.02 -0.12 -0.43 -5.01 117.98 113.17 3bz4 s PHE 209 Ca 0.25 -0.17 -0.06 0.00 -0.05 0.00 0.00 56.93 56.90 3bz4 s PHE 209 Cb 0.03 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 3bz4 s PHE 209 CO 0.07 -0.56 0.04 1.21 -0.05 0.00 0.00 175.22 175.92 3bz4 s ASN 210 N -2.42 5.45 0.00 1.98 3.84 -1.26 -1.47 114.94 121.05 3bz4 s ASN 210 Ca -0.01 0.06 0.11 0.00 0.21 0.00 0.00 52.86 53.23 3bz4 s ASN 210 Cb 0.01 -1.88 0.64 0.00 -0.55 0.00 0.00 41.25 39.47 3bz4 s ASN 210 CO -0.07 0.20 1.08 -1.14 -2.79 0.00 0.00 177.10 174.39