#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bz2 s PRO 36 N 0.00 3.68 0.11 0.00 0.04 -1.26 -5.06 135.00 132.51 2bz2 s PRO 36 Ca 0.00 1.71 0.09 0.00 0.04 0.00 0.00 61.00 62.84 2bz2 s PRO 36 Cb 0.00 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2bz2 s PRO 36 CO 0.00 -0.60 -0.22 1.03 0.04 0.00 0.00 177.00 177.25 2bz2 s ARG 37 N -2.85 1.20 0.38 4.56 0.52 -1.26 -5.02 118.95 116.49 2bz2 s ARG 37 Ca 0.66 -1.19 0.07 0.00 -0.52 0.00 0.00 55.73 54.75 2bz2 s ARG 37 Cb -0.27 -1.51 0.80 0.00 0.52 0.00 0.00 34.95 34.49 2bz2 s ARG 37 CO 0.32 0.36 1.98 0.87 0.02 0.00 0.00 175.30 178.85 2bz2 h LYS 38 N 4.08 0.65 0.00 3.54 1.57 -2.03 -3.47 116.57 120.90 2bz2 h LYS 38 Ca -0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2bz2 h LYS 38 Cb 1.18 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2bz2 h LYS 38 CO 0.40 0.43 0.00 0.41 -0.57 0.00 0.00 179.45 180.12 2bz2 n GLY 39 N -1.46 -0.62 3.07 3.86 0.00 -1.26 -4.82 105.19 103.95 2bz2 n GLY 39 Ca 0.09 -1.13 0.02 0.00 0.00 0.00 0.00 46.02 45.00 2bz2 n GLY 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bz2 s ASN 40 N -4.00 -1.10 0.04 1.61 3.84 -1.26 -4.96 114.94 109.11 2bz2 s ASN 40 Ca 0.00 -0.40 -0.19 0.00 0.21 0.00 0.00 52.86 52.48 2bz2 s ASN 40 Cb 0.00 1.46 -0.06 0.00 -0.55 0.00 0.00 41.25 42.10 2bz2 s ASN 40 CO 0.00 -0.14 0.54 -0.89 -2.79 0.00 0.00 177.10 173.82 2bz2 s THR 41 N 2.10 4.84 0.00 -5.21 2.01 -1.26 -2.33 115.64 115.80 2bz2 s THR 41 Ca 0.16 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.31 2bz2 s THR 41 Cb -0.02 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2bz2 s THR 41 CO -0.13 0.52 0.03 -0.76 -0.69 0.00 0.00 174.62 173.59 2bz2 s LEU 42 N -0.86 3.63 -0.25 4.42 1.43 0.27 -4.12 118.68 123.22 2bz2 s LEU 42 Ca 0.28 0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 2bz2 s LEU 42 Cb -0.19 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2bz2 s LEU 42 CO 0.17 0.27 0.48 -0.47 0.23 0.00 0.00 176.35 177.04 2bz2 s TYR 43 N -1.13 3.29 -0.11 0.29 5.04 0.16 -1.59 117.35 123.29 2bz2 s TYR 43 Ca 0.21 0.62 -0.00 0.00 -2.44 0.00 0.00 57.07 55.46 2bz2 s TYR 43 Cb -0.12 -2.67 -0.02 0.00 0.35 0.00 0.00 41.96 39.50 2bz2 s TYR 43 CO 0.12 -0.22 -0.10 0.08 -1.34 0.00 0.00 175.55 174.09 2bz2 s VAL 44 N 2.09 3.39 0.05 3.14 1.01 0.11 0.13 120.40 130.32 2bz2 s VAL 44 Ca 0.20 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.67 2bz2 s VAL 44 Cb -0.16 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2bz2 s VAL 44 CO 0.09 0.54 -0.12 -0.47 0.00 0.00 0.00 175.10 175.14 2bz2 s TYR 45 N -0.08 1.05 -1.57 5.22 5.04 0.21 -0.02 117.35 127.20 2bz2 s TYR 45 Ca -0.01 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 2bz2 s TYR 45 Cb -0.14 -0.61 0.00 0.00 0.35 0.00 0.00 41.96 41.56 2bz2 s TYR 45 CO 0.03 0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.67 2bz2 n GLY 46 N 1.69 -1.61 3.62 8.97 0.00 -1.18 0.12 105.19 116.80 2bz2 n GLY 46 Ca -0.20 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 2bz2 n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bz2 s GLU 47 N -1.79 2.27 -1.27 1.61 2.02 -1.26 -4.67 118.70 115.60 2bz2 s GLU 47 Ca 0.00 -1.10 -0.22 0.00 0.02 0.00 0.00 54.97 53.67 2bz2 s GLU 47 Cb 0.00 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 31.94 2bz2 s GLU 47 CO 0.00 0.47 0.58 -0.25 0.02 0.00 0.00 175.26 176.08 2bz2 n ASP 48 N 0.19 -3.22 -4.84 -0.19 8.00 -1.26 -4.92 116.55 110.31 2bz2 n ASP 48 Ca -0.11 -1.20 -0.37 0.00 0.71 0.00 0.00 54.79 53.83 2bz2 n ASP 48 Cb 0.54 -2.23 -0.07 0.00 -0.02 0.00 0.00 41.12 39.35 2bz2 n ASP 48 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2bz2 s MET 49 N -6.98 3.47 0.33 -1.24 -1.94 -1.26 -5.10 119.30 106.58 2bz2 s MET 49 Ca 0.36 -0.17 0.08 0.00 -1.71 0.00 0.00 55.69 54.26 2bz2 s MET 49 Cb -0.18 -3.17 -0.06 0.00 2.01 0.00 0.00 34.83 33.43 2bz2 s MET 49 CO 0.94 0.72 -0.07 0.95 -0.01 0.00 0.00 175.02 177.55 2bz2 s THR 50 N -0.87 2.01 0.03 2.05 -4.23 -1.26 -5.06 115.64 108.31 2bz2 s THR 50 Ca 0.14 -2.15 -0.22 0.00 -1.18 0.00 0.00 61.69 58.28 2bz2 s THR 50 Cb -0.12 -2.64 -0.15 0.00 1.34 0.00 0.00 72.50 70.93 2bz2 s THR 50 CO 0.03 -0.20 1.35 1.55 -0.54 0.00 0.00 174.62 176.81 2bz2 h PRO 51 N 2.07 0.26 -0.96 3.99 0.13 -1.99 -1.94 132.00 133.56 2bz2 h PRO 51 Ca -0.42 -0.13 0.07 0.00 -0.87 0.00 0.00 66.00 64.65 2bz2 h PRO 51 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 2bz2 h PRO 51 CO 0.71 0.64 0.61 1.15 -0.23 0.00 0.00 178.00 180.88 2bz2 h THR 52 N -0.13 1.06 -0.06 1.56 2.02 -1.98 0.54 112.91 115.93 2bz2 h THR 52 Ca 0.02 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2bz2 h THR 52 Cb 0.58 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2bz2 h THR 52 CO 0.02 0.20 -0.01 0.25 0.37 0.00 0.00 175.52 176.35 2bz2 h LEU 53 N 1.10 0.11 -0.24 2.58 5.85 -1.97 -2.60 115.31 120.14 2bz2 h LEU 53 Ca 0.42 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2bz2 h LEU 53 Cb 0.19 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2bz2 h LEU 53 CO -0.18 0.44 0.12 -0.07 -0.34 0.00 0.00 178.44 178.41 2bz2 h LEU 54 N -0.23 0.30 -0.88 2.25 3.38 -0.74 -0.90 115.31 118.49 2bz2 h LEU 54 Ca 0.01 -0.10 0.20 0.00 0.09 0.00 0.00 57.88 58.08 2bz2 h LEU 54 Cb 0.39 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.95 2bz2 h LEU 54 CO 0.00 0.32 0.40 -0.09 0.09 0.00 0.00 178.44 179.17 2bz2 h ARG 55 N 0.26 0.45 0.00 1.13 2.43 0.10 0.78 114.38 119.53 2bz2 h ARG 55 Ca 0.08 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 2bz2 h ARG 55 Cb 0.09 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2bz2 h ARG 55 CO -0.01 0.30 -0.42 0.78 -1.51 0.00 0.00 179.97 179.11 2bz2 h GLY 56 N 0.46 0.00 1.99 2.80 0.00 -1.03 2.10 103.07 109.40 2bz2 h GLY 56 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2bz2 h GLY 56 CO -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.06 2bz2 n ALA 57 N -2.28 2.32 -0.64 3.60 0.00 0.25 -3.74 120.51 120.01 2bz2 n ALA 57 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2bz2 n ALA 57 Cb 0.57 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2bz2 n ALA 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2bz2 n PHE 58 N -1.73 0.00 0.13 0.00 3.72 0.28 -4.71 117.46 115.16 2bz2 n PHE 58 Ca 0.07 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.36 2bz2 n PHE 58 Cb 0.37 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.84 2bz2 n PHE 58 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2bz2 h SER 59 N 0.00 -0.34 0.79 4.37 0.87 0.33 -3.22 113.55 116.35 2bz2 h SER 59 Ca 0.00 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2bz2 h SER 59 Cb 0.32 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2bz2 h SER 59 CO 0.00 0.13 -0.13 1.55 -0.53 0.00 0.00 176.83 177.84 2bz2 h PRO 60 N -0.95 0.00 0.00 2.24 0.13 -1.79 -2.51 132.00 129.12 2bz2 h PRO 60 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2bz2 h PRO 60 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2bz2 h PRO 60 CO 0.07 0.13 0.00 1.19 -0.23 0.00 0.00 178.00 179.16 2bz2 n PHE 61 N -3.35 0.49 0.00 1.56 3.72 -1.23 -4.95 117.46 113.70 2bz2 n PHE 61 Ca -0.00 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2bz2 n PHE 61 Cb 0.34 -0.79 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 2bz2 n PHE 61 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bz2 n GLY 62 N 0.26 0.69 3.82 1.37 0.00 -0.95 -4.63 105.19 105.75 2bz2 n GLY 62 Ca 0.03 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 2bz2 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bz2 s ASN 63 N 0.00 7.03 -0.22 1.61 0.02 -1.26 -4.39 114.94 117.73 2bz2 s ASN 63 Ca 0.00 1.28 -0.06 0.00 -1.02 0.00 0.00 52.86 53.05 2bz2 s ASN 63 Cb 0.00 -2.36 -0.03 0.00 0.02 0.00 0.00 41.25 38.88 2bz2 s ASN 63 CO 0.00 0.18 0.04 -0.63 0.02 0.00 0.00 177.10 176.71 2bz2 s ILE 64 N -1.28 4.27 0.23 0.60 1.01 -1.26 -3.27 121.20 121.50 2bz2 s ILE 64 Ca 0.34 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.85 2bz2 s ILE 64 Cb -0.18 -2.96 -0.06 0.00 0.01 0.00 0.00 42.46 39.27 2bz2 s ILE 64 CO 0.20 0.39 1.54 0.16 0.00 0.00 0.00 174.94 177.23 2bz2 h ILE 65 N 5.36 1.43 -2.98 2.92 3.07 -1.90 -3.44 117.51 121.97 2bz2 h ILE 65 Ca -0.37 -2.16 -0.17 0.00 1.55 0.00 0.00 64.86 63.71 2bz2 h ILE 65 Cb 1.18 2.14 -0.28 0.00 -0.27 0.00 0.00 36.82 39.59 2bz2 h ILE 65 CO 0.61 0.63 -0.42 -0.62 -1.05 0.00 0.00 178.15 177.30 2bz2 s ASP 66 N -6.88 -0.31 -0.12 2.16 2.15 -1.26 -5.08 116.67 107.33 2bz2 s ASP 66 Ca -0.03 0.59 0.03 0.00 0.43 0.00 0.00 52.55 53.57 2bz2 s ASP 66 Cb 0.12 0.52 0.01 0.00 -0.30 0.00 0.00 42.92 43.27 2bz2 s ASP 66 CO 0.79 -0.14 -0.21 -0.22 -0.17 0.00 0.00 175.17 175.22 2bz2 s LEU 67 N 0.85 2.00 0.19 -1.34 0.20 -1.26 -2.67 118.68 116.66 2bz2 s LEU 67 Ca -0.06 -0.54 0.08 0.00 0.69 0.00 0.00 54.13 54.31 2bz2 s LEU 67 Cb -0.07 -1.33 -0.05 0.00 -0.43 0.00 0.00 46.19 44.32 2bz2 s LEU 67 CO -0.06 0.09 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.38 2bz2 s SER 68 N 0.69 2.64 0.02 3.68 0.15 -0.98 -5.03 113.70 114.87 2bz2 s SER 68 Ca -0.11 -0.97 -0.01 0.00 0.70 0.00 0.00 55.95 55.56 2bz2 s SER 68 Cb -0.16 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 63.98 2bz2 s SER 68 CO 0.02 -0.12 0.00 -0.04 1.20 0.00 0.00 173.24 174.30 2bz2 s MET 69 N -3.35 0.33 -0.33 5.44 -1.94 -1.26 -1.21 119.30 116.97 2bz2 s MET 69 Ca 0.20 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 53.67 2bz2 s MET 69 Cb -0.03 0.12 0.10 0.00 2.01 0.00 0.00 34.83 37.04 2bz2 s MET 69 CO 0.07 -0.06 0.07 -0.51 -0.01 0.00 0.00 175.02 174.58 2bz2 s ASP 70 N -1.37 4.50 0.29 3.03 1.01 0.41 -4.93 116.67 119.60 2bz2 s ASP 70 Ca -0.15 -2.00 0.14 0.00 0.71 0.00 0.00 52.55 51.24 2bz2 s ASP 70 Cb -0.09 -1.36 0.35 0.00 1.01 0.00 0.00 42.92 42.82 2bz2 s ASP 70 CO -0.01 -0.39 1.58 1.55 0.21 0.00 0.00 175.17 178.12 2bz2 h PRO 71 N 7.75 0.00 0.00 8.23 0.13 -1.96 0.41 132.00 146.56 2bz2 h PRO 71 Ca -0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2bz2 h PRO 71 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2bz2 h PRO 71 CO 0.51 0.58 -0.31 -1.00 -0.23 0.00 0.00 178.00 177.54 2bz2 h PRO 72 N 0.00 0.00 -0.02 1.56 0.13 -1.94 -3.25 132.00 128.48 2bz2 h PRO 72 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2bz2 h PRO 72 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2bz2 h PRO 72 CO 0.07 0.31 0.00 0.54 -0.23 0.00 0.00 178.00 178.69 2bz2 n ARG 73 N -3.30 -0.06 -3.47 0.86 1.74 -1.22 -4.99 116.66 106.22 2bz2 n ARG 73 Ca 0.01 -0.87 -0.21 0.00 -0.77 0.00 0.00 57.85 56.01 2bz2 n ARG 73 Cb 0.56 -1.10 0.07 0.00 -1.02 0.00 0.00 32.46 30.98 2bz2 n ARG 73 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2bz2 n ASN 74 N 0.25 -5.69 -4.37 0.55 3.02 -0.28 -4.95 115.26 103.79 2bz2 n ASN 74 Ca 0.03 -0.49 -0.19 0.00 -0.03 0.00 0.00 54.58 53.90 2bz2 n ASN 74 Cb 0.14 -4.57 -0.10 0.00 -0.61 0.00 0.00 39.78 34.64 2bz2 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bz2 s ALA 76 N -3.30 -0.29 -0.05 0.00 0.00 0.98 0.15 121.76 119.25 2bz2 s ALA 76 Ca 0.30 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.07 2bz2 s ALA 76 Cb 0.06 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 2bz2 s ALA 76 CO 0.11 -0.27 -0.21 -0.06 0.00 0.00 0.00 175.76 175.32 2bz2 s PHE 77 N -1.94 2.51 -0.12 0.00 0.08 -0.35 0.06 117.98 118.22 2bz2 s PHE 77 Ca -0.10 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.49 2bz2 s PHE 77 Cb -0.05 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2bz2 s PHE 77 CO -0.01 -0.05 -0.14 0.08 -0.10 0.00 0.00 175.22 175.00 2bz2 s VAL 78 N -0.41 1.47 -0.13 -0.44 1.01 -0.62 -2.32 120.40 118.96 2bz2 s VAL 78 Ca 0.04 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2bz2 s VAL 78 Cb -0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2bz2 s VAL 78 CO 0.02 0.44 0.09 -0.89 0.00 0.00 0.00 175.10 174.75 2bz2 s THR 79 N 1.19 5.07 -0.06 3.92 2.01 -1.09 0.98 115.64 127.65 2bz2 s THR 79 Ca -0.02 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.08 2bz2 s THR 79 Cb -0.14 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 2bz2 s THR 79 CO -0.05 0.56 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.91 2bz2 s TYR 80 N -0.56 2.27 0.31 4.92 2.02 -0.98 -3.38 117.35 121.94 2bz2 s TYR 80 Ca 0.11 -0.73 0.31 0.00 -0.37 0.00 0.00 57.07 56.39 2bz2 s TYR 80 Cb -0.12 -1.50 1.44 0.00 -0.40 0.00 0.00 41.96 41.38 2bz2 s TYR 80 CO 0.02 -0.25 2.04 1.49 -1.57 0.00 0.00 175.55 177.28 2bz2 h GLU 81 N 6.27 0.00 -5.40 -0.62 4.81 -1.90 -3.35 114.58 114.39 2bz2 h GLU 81 Ca -0.29 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.27 2bz2 h GLU 81 Cb 1.19 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 30.29 2bz2 h GLU 81 CO 0.47 0.10 -0.79 0.21 -0.73 0.00 0.00 179.01 178.27 2bz2 s LYS 82 N -3.93 3.24 0.56 1.92 2.20 -1.26 -4.97 119.74 117.49 2bz2 s LYS 82 Ca -0.01 -0.73 0.27 0.00 -0.36 0.00 0.00 55.97 55.13 2bz2 s LYS 82 Cb 0.11 -2.53 1.63 0.00 -1.51 0.00 0.00 37.83 35.53 2bz2 s LYS 82 CO 0.56 0.24 2.18 0.52 -0.36 0.00 0.00 175.35 178.49 2bz2 h MET 83 N 6.60 0.00 0.00 4.03 2.86 -1.93 -0.85 114.93 125.64 2bz2 h MET 83 Ca -0.26 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.26 2bz2 h MET 83 Cb 1.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 2bz2 h MET 83 CO 0.53 0.04 -0.58 0.93 1.06 0.00 0.00 176.91 178.89 2bz2 h GLU 84 N 0.00 0.00 -0.02 1.72 5.08 -1.95 -2.60 114.58 116.81 2bz2 h GLU 84 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2bz2 h GLU 84 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2bz2 h GLU 84 CO 0.01 0.58 -0.41 0.77 -1.00 0.00 0.00 179.01 178.96 2bz2 h SER 85 N 0.00 0.04 0.16 1.42 0.02 -1.41 0.36 113.55 114.15 2bz2 h SER 85 Ca -0.01 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.71 2bz2 h SER 85 Cb 1.13 -0.01 0.03 0.00 0.14 0.00 0.00 62.40 63.68 2bz2 h SER 85 CO 0.08 0.45 -0.94 0.00 -1.14 0.00 0.00 176.83 175.27 2bz2 h ALA 86 N 1.56 -0.11 -0.25 3.77 0.00 -1.48 -2.20 119.26 120.55 2bz2 h ALA 86 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 2bz2 h ALA 86 Cb 0.74 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2bz2 h ALA 86 CO 0.05 0.44 -0.33 0.22 0.00 0.00 0.00 179.25 179.63 2bz2 h ASP 87 N -0.27 0.55 0.32 0.00 3.58 -1.39 0.24 116.42 119.45 2bz2 h ASP 87 Ca -0.16 -0.22 -0.19 0.00 0.42 0.00 0.00 57.03 56.88 2bz2 h ASP 87 Cb 1.75 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.64 2bz2 h ASP 87 CO 0.18 0.84 -0.76 -0.61 -2.88 0.00 0.00 179.24 176.01 2bz2 h GLN 88 N 0.45 0.36 0.09 0.28 4.15 -1.01 -2.27 115.11 117.16 2bz2 h GLN 88 Ca 0.05 -0.31 -0.26 0.00 0.77 0.00 0.00 58.65 58.90 2bz2 h GLN 88 Cb 0.79 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.55 2bz2 h GLN 88 CO 0.06 0.96 -1.19 0.00 -1.93 0.00 0.00 178.83 176.74 2bz2 h ALA 89 N 0.94 0.17 -0.13 3.38 0.00 -1.20 -2.40 119.26 120.03 2bz2 h ALA 89 Ca -0.04 -0.90 -0.14 0.00 0.00 0.00 0.00 54.91 53.84 2bz2 h ALA 89 Cb 1.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2bz2 h ALA 89 CO 0.13 1.05 -0.51 0.28 0.00 0.00 0.00 179.25 180.20 2bz2 h VAL 90 N 0.05 1.34 0.13 0.00 2.07 -0.53 0.64 116.25 119.95 2bz2 h VAL 90 Ca -0.11 -1.75 -0.28 0.00 0.82 0.00 0.00 66.70 65.39 2bz2 h VAL 90 Cb 1.92 1.80 0.01 0.00 -1.52 0.00 0.00 31.29 33.50 2bz2 h VAL 90 CO 0.18 0.53 -1.23 0.00 0.02 0.00 0.00 177.57 177.08 2bz2 h ALA 91 N 1.19 0.10 0.23 1.67 0.00 -1.46 -0.74 119.26 120.25 2bz2 h ALA 91 Ca 0.01 -0.84 -0.34 0.00 0.00 0.00 0.00 54.91 53.74 2bz2 h ALA 91 Cb 0.99 0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.85 2bz2 h ALA 91 CO 0.08 0.88 -1.58 0.93 0.00 0.00 0.00 179.25 179.56 2bz2 h GLU 92 N 0.13 0.50 -0.08 0.00 4.39 -1.36 -3.33 114.58 114.82 2bz2 h GLU 92 Ca -0.15 -0.85 -0.21 0.00 0.34 0.00 0.00 59.36 58.49 2bz2 h GLU 92 Cb 1.93 0.32 0.00 0.00 -0.10 0.00 0.00 28.75 30.90 2bz2 h GLU 92 CO 0.21 1.41 -0.80 -0.07 -1.16 0.00 0.00 179.01 178.59 2bz2 h LEU 93 N 0.14 0.67 -9.52 1.33 3.38 0.18 -3.43 115.31 108.05 2bz2 h LEU 93 Ca -0.29 -0.47 -0.53 0.00 0.09 0.00 0.00 57.88 56.69 2bz2 h LEU 93 Cb 2.15 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 42.73 2bz2 h LEU 93 CO 0.25 1.24 0.87 0.21 0.09 0.00 0.00 178.44 181.09 2bz2 s ASN 94 N -7.06 6.68 0.00 -0.43 3.84 -0.28 -2.98 114.94 114.71 2bz2 s ASN 94 Ca -0.07 2.45 0.00 0.00 0.21 0.00 0.00 52.86 55.45 2bz2 s ASN 94 Cb 0.09 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 2bz2 s ASN 94 CO 0.87 -0.79 0.00 0.61 -2.79 0.00 0.00 177.10 175.01 2bz2 n GLY 95 N 3.74 0.93 3.32 1.21 0.00 -1.26 -4.86 105.19 108.27 2bz2 n GLY 95 Ca 0.14 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 2bz2 n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bz2 s THR 96 N -2.67 1.14 0.10 2.61 -4.23 -1.16 -5.12 115.64 106.31 2bz2 s THR 96 Ca 0.00 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2bz2 s THR 96 Cb 0.00 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 2bz2 s THR 96 CO 0.00 -0.42 -0.09 -1.58 -0.54 0.00 0.00 174.62 172.00 2bz2 s GLN 97 N -3.82 0.86 0.00 3.99 0.74 -1.26 -3.71 119.66 116.45 2bz2 s GLN 97 Ca 0.26 -1.24 0.00 0.00 0.05 0.00 0.00 55.36 54.43 2bz2 s GLN 97 Cb 0.05 -0.42 0.00 0.00 1.10 0.00 0.00 33.01 33.74 2bz2 s GLN 97 CO 0.07 0.04 0.00 0.28 -0.55 0.00 0.00 175.29 175.14 2bz2 n VAL 98 N 0.28 0.00 0.33 1.34 0.31 0.14 -4.90 118.33 115.83 2bz2 n VAL 98 Ca -0.14 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.36 2bz2 n VAL 98 Cb 0.59 -0.86 0.89 0.00 -0.91 0.00 0.00 33.84 33.56 2bz2 n VAL 98 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2bz2 h GLU 99 N 0.00 0.00 0.00 5.55 5.08 -2.04 -3.32 114.58 119.85 2bz2 h GLU 99 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bz2 h GLU 99 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bz2 h GLU 99 CO 0.00 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.46 2bz2 n SER 100 N -2.95 0.00 -4.07 1.42 2.88 -1.26 -5.16 113.62 104.48 2bz2 n SER 100 Ca -0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.42 2bz2 n SER 100 Cb 0.33 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.71 2bz2 n SER 100 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2bz2 s VAL 101 N 0.00 0.05 -0.06 2.46 1.01 -1.25 -5.16 120.40 117.46 2bz2 s VAL 101 Ca 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 61.98 60.34 2bz2 s VAL 101 Cb 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2bz2 s VAL 101 CO 0.00 -0.24 -0.14 -1.10 0.00 0.00 0.00 175.10 173.62 2bz2 s GLN 102 N -4.04 1.70 0.24 2.72 -0.21 -1.26 0.26 119.66 119.07 2bz2 s GLN 102 Ca 0.24 -0.47 0.06 0.00 0.02 0.00 0.00 55.36 55.22 2bz2 s GLN 102 Cb 0.05 -1.43 -0.03 0.00 1.00 0.00 0.00 33.01 32.59 2bz2 s GLN 102 CO 0.04 0.10 0.22 -1.17 -2.12 0.00 0.00 175.29 172.37 2bz2 s LEU 103 N 0.44 3.93 -0.04 2.90 0.20 -1.24 -4.32 118.68 120.54 2bz2 s LEU 103 Ca -0.11 -0.16 0.02 0.00 0.69 0.00 0.00 54.13 54.56 2bz2 s LEU 103 Cb -0.14 -2.47 0.02 0.00 -0.43 0.00 0.00 46.19 43.17 2bz2 s LEU 103 CO 0.03 -0.03 -0.06 -0.54 -0.29 0.00 0.00 176.35 175.46 2bz2 s LYS 104 N -3.78 0.94 -0.13 1.98 1.02 0.33 -4.55 119.74 115.56 2bz2 s LYS 104 Ca 0.33 -0.18 -0.02 0.00 0.02 0.00 0.00 55.97 56.11 2bz2 s LYS 104 Cb -0.08 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 36.31 2bz2 s LYS 104 CO 0.26 -0.02 -0.05 0.08 -0.92 0.00 0.00 175.35 174.70 2bz2 s VAL 105 N 0.69 3.81 0.30 3.17 1.01 -1.26 0.65 120.40 128.76 2bz2 s VAL 105 Ca -0.10 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2bz2 s VAL 105 Cb -0.13 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2bz2 s VAL 105 CO 0.01 0.53 0.16 0.20 0.00 0.00 0.00 175.10 175.99 2bz2 s ASN 106 N 0.01 1.55 -0.13 3.32 0.01 0.36 -4.96 114.94 115.09 2bz2 s ASN 106 Ca 0.00 -1.55 -0.02 0.00 -0.71 0.00 0.00 52.86 50.58 2bz2 s ASN 106 Cb -0.13 0.37 -0.03 0.00 0.41 0.00 0.00 41.25 41.87 2bz2 s ASN 106 CO 0.03 -0.88 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.05 2bz2 s ILE 107 N -3.60 3.74 0.43 0.60 -1.09 -1.26 0.37 121.20 120.39 2bz2 s ILE 107 Ca 0.35 -0.42 -0.25 0.00 -2.23 0.00 0.00 60.65 58.10 2bz2 s ILE 107 Cb 0.05 -2.61 -0.10 0.00 -1.58 0.00 0.00 42.46 38.23 2bz2 s ILE 107 CO 0.17 0.52 1.21 0.00 -1.23 0.00 0.00 174.94 175.62 2bz2 n ALA 108 N 3.24 1.04 -1.77 9.38 0.00 -1.26 -4.85 120.51 126.29 2bz2 n ALA 108 Ca -0.18 0.25 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 2bz2 n ALA 108 Cb 0.53 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 2bz2 n ALA 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2bz2 s ARG 109 N -2.20 4.40 0.26 0.00 0.52 -1.26 -4.93 118.95 115.74 2bz2 s ARG 109 Ca 0.62 1.72 -0.05 0.00 -0.52 0.00 0.00 55.73 57.50 2bz2 s ARG 109 Cb -0.51 -2.90 0.30 0.00 0.52 0.00 0.00 34.95 32.35 2bz2 s ARG 109 CO 0.57 0.02 1.94 -0.22 0.02 0.00 0.00 175.30 177.62 2bz2 h LYS 110 N 3.21 1.28 -6.78 3.54 3.64 -2.05 -3.41 116.57 116.00 2bz2 h LYS 110 Ca -0.48 -0.08 -0.51 0.00 -1.27 0.00 0.00 60.65 58.32 2bz2 h LYS 110 Cb 1.22 -0.29 0.02 0.00 -0.41 0.00 0.00 32.23 32.77 2bz2 h LYS 110 CO 0.65 0.84 0.51 -1.14 -2.27 0.00 0.00 179.45 178.04 2bz2 s GLN 111 N -6.08 4.58 0.42 1.90 0.74 -1.26 -5.00 119.66 114.96 2bz2 s GLN 111 Ca -0.13 1.85 -0.24 0.00 0.05 0.00 0.00 55.36 56.89 2bz2 s GLN 111 Cb 0.18 -3.19 -0.08 0.00 1.10 0.00 0.00 33.01 31.02 2bz2 s GLN 111 CO 0.81 0.11 1.17 -1.25 -0.55 0.00 0.00 175.29 175.58 2bz2 s PRO 112 N -1.18 3.97 0.00 1.67 0.04 -1.26 -5.17 135.00 133.07 2bz2 s PRO 112 Ca 0.47 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2bz2 s PRO 112 Cb -0.33 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2bz2 s PRO 112 CO 0.41 -0.38 0.38 -1.33 0.04 0.00 0.00 177.00 176.12