#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 3.71 -0.04 0.00 0.04 -1.26 -5.05 135.00 132.40 2bz2 s PRO 36 Ca 0.00 1.77 0.06 0.00 0.04 0.00 0.00 61.00 62.87 2bz2 s PRO 36 Cb 0.00 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 2bz2 s PRO 36 CO 0.00 -0.59 -0.23 1.03 0.04 0.00 0.00 177.00 177.25 2bz2 s ARG 37 N -2.75 2.22 0.37 4.56 0.52 -1.26 -5.01 118.95 117.60 2bz2 s ARG 37 Ca 0.64 -0.83 0.05 0.00 -0.52 0.00 0.00 55.73 55.07 2bz2 s ARG 37 Cb -0.28 -1.96 0.74 0.00 0.52 0.00 0.00 34.95 33.97 2bz2 s ARG 37 CO 0.34 0.39 2.00 0.87 0.02 0.00 0.00 175.30 178.93 2bz2 h LYS 38 N 5.94 0.72 0.00 3.54 1.57 -1.96 -3.48 116.57 122.89 2bz2 h LYS 38 Ca -0.35 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2bz2 h LYS 38 Cb 1.16 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2bz2 h LYS 38 CO 0.47 0.47 0.00 0.41 -0.57 0.00 0.00 179.45 180.24 2bz2 n GLY 39 N -1.45 -1.72 3.09 3.86 0.00 -1.26 -4.49 105.19 103.21 2bz2 n GLY 39 Ca 0.07 -1.48 0.05 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.56 -0.08 1.61 2.47 -1.23 -4.80 114.94 108.35 2bz2 s ASN 40 Ca 0.00 -0.00 -0.24 0.00 0.42 0.00 0.00 52.86 53.04 2bz2 s ASN 40 Cb 0.00 1.21 -0.03 0.00 -1.45 0.00 0.00 41.25 40.98 2bz2 s ASN 40 CO 0.00 -0.09 0.72 -0.89 -3.72 0.00 0.00 177.10 173.11 2bz2 s THR 41 N 2.73 5.03 0.18 -5.21 2.01 -1.25 -2.21 115.64 116.91 2bz2 s THR 41 Ca 0.23 1.47 0.05 0.00 0.31 0.00 0.00 61.69 63.75 2bz2 s THR 41 Cb -0.02 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2bz2 s THR 41 CO -0.21 0.22 0.19 -0.76 -0.69 0.00 0.00 174.62 173.38 2bz2 s LEU 42 N 0.96 3.96 -0.29 4.42 1.02 0.50 -4.17 118.68 125.07 2bz2 s LEU 42 Ca 0.38 -0.07 -0.06 0.00 0.02 0.00 0.00 54.13 54.39 2bz2 s LEU 42 Cb -0.18 -2.54 0.01 0.00 0.02 0.00 0.00 46.19 43.51 2bz2 s LEU 42 CO 0.18 0.04 0.06 -0.47 0.02 0.00 0.00 176.35 176.18 2bz2 s TYR 43 N -1.83 3.14 -0.07 0.29 6.14 -0.37 -1.38 117.35 123.28 2bz2 s TYR 43 Ca 0.32 -1.05 0.01 0.00 0.64 0.00 0.00 57.07 56.99 2bz2 s TYR 43 Cb -0.10 -2.23 -0.03 0.00 0.42 0.00 0.00 41.96 40.02 2bz2 s TYR 43 CO 0.25 -0.60 -0.09 0.08 0.64 0.00 0.00 175.55 175.84 2bz2 s VAL 44 N 1.48 3.55 -0.02 3.14 1.01 0.56 0.21 120.40 130.32 2bz2 s VAL 44 Ca 0.02 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2bz2 s VAL 44 Cb -0.17 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2bz2 s VAL 44 CO 0.02 0.59 -0.14 -0.47 0.00 0.00 0.00 175.10 175.10 2bz2 s TYR 45 N -0.74 1.32 -0.08 5.22 5.04 0.30 -0.91 117.35 127.50 2bz2 s TYR 45 Ca 0.11 -0.28 -0.31 0.00 -2.44 0.00 0.00 57.07 54.16 2bz2 s TYR 45 Cb -0.11 -0.86 0.10 0.00 0.35 0.00 0.00 41.96 41.44 2bz2 s TYR 45 CO 0.01 -0.05 1.36 0.20 -1.34 0.00 0.00 175.55 175.74 2bz2 s GLY 46 N -0.24 -0.21 0.17 8.97 0.00 -1.25 -1.30 107.32 113.46 2bz2 s GLY 46 Ca 0.03 0.17 0.10 0.00 0.00 0.00 0.00 44.72 45.02 2bz2 s GLY 46 CO -0.00 6.59 -0.20 -0.54 0.00 0.00 0.00 173.10 178.95 2bz2 s GLU 47 N -2.01 1.67 -1.32 2.90 2.02 -1.26 -4.69 118.70 116.00 2bz2 s GLU 47 Ca 0.32 -1.40 -0.13 0.00 0.02 0.00 0.00 54.97 53.78 2bz2 s GLU 47 Cb 0.00 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.28 2bz2 s GLU 47 CO -0.03 0.42 0.50 -0.25 0.02 0.00 0.00 175.26 175.93 2bz2 n ASP 48 N 0.36 -2.16 -4.82 -0.19 8.00 -1.26 -4.92 116.55 111.56 2bz2 n ASP 48 Ca -0.13 -1.12 -0.36 0.00 0.71 0.00 0.00 54.79 53.89 2bz2 n ASP 48 Cb 0.55 -2.60 -0.07 0.00 -0.02 0.00 0.00 41.12 38.98 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 -6.73 3.75 0.36 -1.24 -1.94 -1.26 -5.10 119.30 107.13 2bz2 s MET 49 Ca 0.23 -0.15 0.08 0.00 -1.71 0.00 0.00 55.69 54.13 2bz2 s MET 49 Cb -0.10 -3.28 -0.04 0.00 2.01 0.00 0.00 34.83 33.41 2bz2 s MET 49 CO 0.92 0.58 0.17 0.95 -0.01 0.00 0.00 175.02 177.63 2bz2 s THR 50 N -0.47 2.90 -0.03 2.05 -4.23 -1.26 -5.04 115.64 109.57 2bz2 s THR 50 Ca 0.12 -1.66 -0.21 0.00 -1.18 0.00 0.00 61.69 58.76 2bz2 s THR 50 Cb -0.12 -2.99 -0.14 0.00 1.34 0.00 0.00 72.50 70.60 2bz2 s THR 50 CO 0.02 -0.14 0.91 1.55 -0.54 0.00 0.00 174.62 176.41 2bz2 h PRO 51 N 1.49 -0.41 -0.75 3.99 0.13 -1.99 -2.01 132.00 132.45 2bz2 h PRO 51 Ca -0.43 0.03 0.14 0.00 -0.87 0.00 0.00 66.00 64.87 2bz2 h PRO 51 Cb 1.25 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.43 2bz2 h PRO 51 CO 0.64 -0.09 0.50 1.15 -0.23 0.00 0.00 178.00 179.97 2bz2 h THR 52 N -0.95 0.81 0.01 1.56 2.02 -1.98 0.16 112.91 114.53 2bz2 h THR 52 Ca -0.04 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 2bz2 h THR 52 Cb 0.51 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2bz2 h THR 52 CO 0.07 0.08 -0.01 0.25 0.37 0.00 0.00 175.52 176.29 2bz2 h LEU 53 N 0.44 -0.01 -0.75 2.58 5.85 -1.97 -2.45 115.31 119.00 2bz2 h LEU 53 Ca 0.37 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2bz2 h LEU 53 Cb 0.80 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 2bz2 h LEU 53 CO -0.12 0.45 0.41 -0.07 -0.34 0.00 0.00 178.44 178.76 2bz2 h LEU 54 N -0.48 0.93 -1.29 2.25 3.38 -0.52 -0.99 115.31 118.60 2bz2 h LEU 54 Ca -0.00 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.93 2bz2 h LEU 54 Cb 0.46 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2bz2 h LEU 54 CO 0.00 0.76 0.52 0.03 0.09 0.00 0.00 178.44 179.84 2bz2 h ARG 55 N 1.03 0.84 0.00 1.13 3.08 -0.70 0.82 114.38 120.58 2bz2 h ARG 55 Ca 0.26 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 2bz2 h ARG 55 Cb 0.04 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 2bz2 h ARG 55 CO -0.04 0.55 -0.54 0.78 -1.07 0.00 0.00 179.97 179.65 2bz2 h GLY 56 N 0.86 0.00 1.97 0.04 0.00 -0.84 2.07 103.07 107.17 2bz2 h GLY 56 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2bz2 h GLY 56 CO -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.40 2bz2 n ALA 57 N -2.31 2.33 -0.42 3.60 0.00 0.10 -3.69 120.51 120.12 2bz2 n ALA 57 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2bz2 n ALA 57 Cb 0.64 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.02 0.00 0.19 0.00 3.01 -0.16 -4.72 117.46 113.77 2bz2 n PHE 58 Ca 0.06 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.39 2bz2 n PHE 58 Cb 0.40 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.79 2bz2 n PHE 58 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2bz2 h SER 59 N 0.00 -0.41 0.70 4.37 0.02 0.33 -3.13 113.55 115.43 2bz2 h SER 59 Ca 0.00 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2bz2 h SER 59 Cb 0.21 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2bz2 h SER 59 CO 0.00 -0.05 -0.09 1.55 -1.14 0.00 0.00 176.83 177.10 2bz2 h PRO 60 N -0.82 0.00 0.00 3.45 0.13 -1.79 -2.43 132.00 130.54 2bz2 h PRO 60 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2bz2 h PRO 60 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2bz2 h PRO 60 CO 0.08 0.09 0.00 1.19 -0.23 0.00 0.00 178.00 179.13 2bz2 n PHE 61 N -3.31 0.58 -0.08 1.56 3.72 -1.19 -4.97 117.46 113.78 2bz2 n PHE 61 Ca -0.01 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 2bz2 n PHE 61 Cb 0.29 -0.82 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 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 0.67 -1.53 3.72 1.37 0.00 -0.91 -4.57 105.19 103.93 2bz2 n GLY 62 Ca 0.04 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.12 6.57 -0.22 1.61 0.01 -1.26 -4.40 114.94 117.13 2bz2 s ASN 63 Ca 0.00 0.67 -0.12 0.00 -0.71 0.00 0.00 52.86 52.70 2bz2 s ASN 63 Cb 0.00 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 2bz2 s ASN 63 CO 0.00 0.04 0.22 -0.63 -1.51 0.00 0.00 177.10 175.22 2bz2 s ILE 64 N 0.58 5.33 -0.51 0.60 1.01 -1.26 -2.76 121.20 124.20 2bz2 s ILE 64 Ca 0.22 0.34 0.23 0.00 0.00 0.00 0.00 60.65 61.43 2bz2 s ILE 64 Cb -0.14 -3.56 -0.13 0.00 0.01 0.00 0.00 42.46 38.64 2bz2 s ILE 64 CO 0.07 0.35 0.95 2.30 0.00 0.00 0.00 174.94 178.61 2bz2 n ILE 65 N 4.08 0.19 -3.45 2.92 -5.35 -1.13 -4.79 119.36 111.83 2bz2 n ILE 65 Ca -0.13 -0.30 -0.18 0.00 -0.27 0.00 0.00 62.75 61.87 2bz2 n ILE 65 Cb 0.52 0.15 -0.11 0.00 -1.74 0.00 0.00 39.64 38.45 2bz2 n ILE 65 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2bz2 s ASP 66 N -4.13 1.48 -0.21 7.28 2.15 -1.26 -5.06 116.67 116.93 2bz2 s ASP 66 Ca 0.02 -0.42 -0.03 0.00 0.43 0.00 0.00 52.55 52.55 2bz2 s ASP 66 Cb 0.14 0.46 -0.01 0.00 -0.30 0.00 0.00 42.92 43.21 2bz2 s ASP 66 CO 0.82 -0.35 -0.07 -0.22 -0.17 0.00 0.00 175.17 175.18 2bz2 s LEU 67 N 2.35 2.80 0.03 -1.34 1.98 -1.26 -1.68 118.68 121.56 2bz2 s LEU 67 Ca 0.08 -0.41 0.07 0.00 -2.89 0.00 0.00 54.13 50.98 2bz2 s LEU 67 Cb -0.15 -1.70 -0.02 0.00 0.66 0.00 0.00 46.19 44.98 2bz2 s LEU 67 CO -0.21 0.00 -0.19 -0.44 -1.89 0.00 0.00 176.35 173.62 2bz2 s SER 68 N 1.32 2.29 0.21 3.68 0.01 -0.96 -5.04 113.70 115.21 2bz2 s SER 68 Ca 0.04 -0.48 0.11 0.00 1.31 0.00 0.00 55.95 56.93 2bz2 s SER 68 Cb -0.14 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2bz2 s SER 68 CO -0.03 0.15 -0.23 -0.32 0.41 0.00 0.00 173.24 173.22 2bz2 s MET 69 N -1.03 1.52 -0.38 12.44 1.75 -1.26 -0.84 119.30 131.50 2bz2 s MET 69 Ca 0.06 -1.56 0.01 0.00 -1.25 0.00 0.00 55.69 52.95 2bz2 s MET 69 Cb -0.08 -1.77 0.13 0.00 2.84 0.00 0.00 34.83 35.95 2bz2 s MET 69 CO 0.01 0.37 0.19 0.34 -0.65 0.00 0.00 175.02 175.29 2bz2 s ASP 70 N -2.83 3.53 0.29 1.11 -1.08 0.26 -4.92 116.67 113.02 2bz2 s ASP 70 Ca 0.22 -2.21 0.14 0.00 -0.52 0.00 0.00 52.55 50.17 2bz2 s ASP 70 Cb -0.07 -0.77 0.35 0.00 -1.46 0.00 0.00 42.92 40.97 2bz2 s ASP 70 CO 0.10 -0.32 1.58 1.55 0.52 0.00 0.00 175.17 178.61 2bz2 h PRO 71 N 7.20 0.00 0.00 4.34 0.13 -1.96 0.26 132.00 141.96 2bz2 h PRO 71 Ca -0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 2bz2 h PRO 71 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2bz2 h PRO 71 CO 0.41 0.57 -0.30 -1.00 -0.23 0.00 0.00 178.00 177.45 2bz2 h PRO 72 N 0.00 0.00 -0.01 1.56 0.13 -1.93 -3.24 132.00 128.51 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 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2bz2 h PRO 72 CO 0.07 0.30 -0.03 0.54 -0.23 0.00 0.00 178.00 178.66 2bz2 n ARG 73 N -3.29 0.47 -3.33 0.86 1.74 -1.22 -4.99 116.66 106.90 2bz2 n ARG 73 Ca 0.01 -0.90 -0.18 0.00 -0.77 0.00 0.00 57.85 56.02 2bz2 n ARG 73 Cb 0.56 -1.13 0.07 0.00 -1.02 0.00 0.00 32.46 30.94 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 0.32 -4.23 -3.86 0.55 3.02 -0.47 -5.01 115.26 105.58 2bz2 n ASN 74 Ca 0.04 -0.48 -0.10 0.00 -0.03 0.00 0.00 54.58 54.02 2bz2 n ASN 74 Cb 0.19 -4.31 -0.08 0.00 -0.61 0.00 0.00 39.78 34.97 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 -2.86 0.50 -0.02 0.00 0.00 -0.09 0.93 121.76 120.22 2bz2 s ALA 76 Ca -0.03 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 50.85 2bz2 s ALA 76 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 2bz2 s ALA 76 CO -0.06 -0.34 -0.21 -0.06 0.00 0.00 0.00 175.76 175.10 2bz2 s PHE 77 N -3.61 1.88 -0.06 0.00 0.08 -0.02 -0.32 117.98 115.93 2bz2 s PHE 77 Ca 0.05 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.75 2bz2 s PHE 77 Cb 0.06 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 41.27 2bz2 s PHE 77 CO -0.09 -0.06 -0.19 0.08 -0.10 0.00 0.00 175.22 174.87 2bz2 s VAL 78 N -0.41 2.60 -0.14 -0.44 1.01 -0.48 -2.27 120.40 120.27 2bz2 s VAL 78 Ca 0.06 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2bz2 s VAL 78 Cb -0.09 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2bz2 s VAL 78 CO -0.00 0.57 -0.13 -0.89 0.00 0.00 0.00 175.10 174.65 2bz2 s THR 79 N -0.39 2.95 -0.07 3.92 2.01 -0.68 0.19 115.64 123.57 2bz2 s THR 79 Ca 0.04 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.38 2bz2 s THR 79 Cb -0.12 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 2bz2 s THR 79 CO 0.02 0.52 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.99 2bz2 s TYR 80 N 0.55 2.67 0.44 4.92 2.02 -0.94 -2.85 117.35 124.16 2bz2 s TYR 80 Ca -0.09 -0.40 0.13 0.00 -0.37 0.00 0.00 57.07 56.35 2bz2 s TYR 80 Cb -0.16 -1.68 0.98 0.00 -0.40 0.00 0.00 41.96 40.70 2bz2 s TYR 80 CO 0.04 0.00 2.00 1.49 -1.57 0.00 0.00 175.55 177.51 2bz2 h GLU 81 N 5.84 0.09 -6.46 -0.62 4.81 -1.87 -3.27 114.58 113.09 2bz2 h GLU 81 Ca -0.38 -0.02 -0.69 0.00 -0.13 0.00 0.00 59.36 58.14 2bz2 h GLU 81 Cb 1.17 -0.01 -0.23 0.00 0.63 0.00 0.00 28.75 30.30 2bz2 h GLU 81 CO 0.51 0.21 -0.80 0.15 -0.73 0.00 0.00 179.01 178.36 2bz2 s LYS 82 N -4.77 2.27 0.50 1.92 1.02 -1.26 -4.73 119.74 114.69 2bz2 s LYS 82 Ca -0.05 -0.85 0.27 0.00 0.02 0.00 0.00 55.97 55.36 2bz2 s LYS 82 Cb 0.16 -2.26 1.28 0.00 -0.52 0.00 0.00 37.83 36.49 2bz2 s LYS 82 CO 0.70 0.58 1.99 0.52 -0.92 0.00 0.00 175.35 178.22 2bz2 h MET 83 N 4.99 0.00 0.00 1.68 2.86 -1.87 -2.13 114.93 120.46 2bz2 h MET 83 Ca -0.47 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.09 2bz2 h MET 83 Cb 1.15 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 2bz2 h MET 83 CO 0.49 0.15 -0.41 1.49 1.06 0.00 0.00 176.91 179.69 2bz2 h GLU 84 N 0.00 0.00 -0.09 1.72 4.81 -1.96 -2.64 114.58 116.43 2bz2 h GLU 84 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 2bz2 h GLU 84 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2bz2 h GLU 84 CO 0.02 0.41 -0.54 0.77 -0.73 0.00 0.00 179.01 178.95 2bz2 h SER 85 N 0.00 0.29 -0.02 1.04 0.02 -1.63 -1.95 113.55 111.31 2bz2 h SER 85 Ca -0.00 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 2bz2 h SER 85 Cb 0.91 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.38 2bz2 h SER 85 CO 0.05 0.77 -0.32 0.00 -1.14 0.00 0.00 176.83 176.19 2bz2 h ALA 86 N 1.24 0.06 -0.45 3.77 0.00 -1.53 -2.31 119.26 120.03 2bz2 h ALA 86 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2bz2 h ALA 86 Cb 1.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2bz2 h ALA 86 CO 0.08 0.15 0.25 0.22 0.00 0.00 0.00 179.25 179.94 2bz2 h ASP 87 N -0.36 0.55 -0.12 0.00 1.82 -1.47 0.46 116.42 117.29 2bz2 h ASP 87 Ca -0.04 -0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.52 2bz2 h ASP 87 Cb 1.04 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.91 2bz2 h ASP 87 CO 0.06 0.45 -0.12 -0.61 -1.61 0.00 0.00 179.24 177.41 2bz2 h GLN 88 N 0.63 0.30 -0.32 0.28 4.15 -1.36 0.39 115.11 119.18 2bz2 h GLN 88 Ca 0.16 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2bz2 h GLN 88 Cb 0.02 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2bz2 h GLN 88 CO -0.03 0.70 0.12 0.00 -1.93 0.00 0.00 178.83 177.69 2bz2 h ALA 89 N 0.60 0.42 0.00 3.38 0.00 -1.02 -1.23 119.26 121.41 2bz2 h ALA 89 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2bz2 h ALA 89 Cb 0.64 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2bz2 h ALA 89 CO 0.03 0.03 -0.12 0.28 0.00 0.00 0.00 179.25 179.48 2bz2 h VAL 90 N 0.37 0.39 0.00 0.00 2.07 -0.92 1.92 116.25 120.09 2bz2 h VAL 90 Ca 0.11 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2bz2 h VAL 90 Cb 0.21 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2bz2 h VAL 90 CO -0.01 0.11 -0.19 0.00 0.02 0.00 0.00 177.57 177.50 2bz2 h ALA 91 N 1.88 0.88 0.00 1.67 0.00 -0.05 -3.07 119.26 120.57 2bz2 h ALA 91 Ca -0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2bz2 h ALA 91 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2bz2 h ALA 91 CO 0.02 0.22 -1.13 0.39 0.00 0.00 0.00 179.25 178.75 2bz2 n GLU 92 N -3.14 0.13 -0.05 0.00 1.02 -0.55 -4.66 120.64 113.40 2bz2 n GLU 92 Ca 0.03 0.06 0.06 0.00 -0.02 0.00 0.00 57.16 57.29 2bz2 n GLU 92 Cb 0.60 -0.73 0.42 0.00 -0.02 0.00 0.00 31.44 31.72 2bz2 n GLU 92 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2bz2 h LEU 93 N -0.23 0.50 -9.48 -4.62 3.38 0.28 -3.41 115.31 101.72 2bz2 h LEU 93 Ca -0.13 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.30 2bz2 h LEU 93 Cb 0.95 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.60 2bz2 h LEU 93 CO -0.08 0.34 0.76 0.21 0.09 0.00 0.00 178.44 179.77 2bz2 s ASN 94 N -6.52 6.84 0.00 -0.43 2.47 -1.16 -3.14 114.94 113.00 2bz2 s ASN 94 Ca -0.08 2.25 0.00 0.00 0.42 0.00 0.00 52.86 55.44 2bz2 s ASN 94 Cb 0.18 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 2bz2 s ASN 94 CO 0.74 -0.67 0.00 0.61 -3.72 0.00 0.00 177.10 174.06 2bz2 n GLY 95 N 3.55 0.76 3.43 1.21 0.00 -1.25 -4.87 105.19 108.02 2bz2 n GLY 95 Ca 0.12 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.91 1.68 0.25 2.61 -4.23 -1.19 -5.05 115.64 106.80 2bz2 s THR 96 Ca 0.00 -2.14 0.05 0.00 -1.18 0.00 0.00 61.69 58.43 2bz2 s THR 96 Cb 0.00 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 2bz2 s THR 96 CO 0.00 -0.31 -0.04 -1.58 -0.54 0.00 0.00 174.62 172.14 2bz2 s GLN 97 N -3.71 1.43 0.00 3.99 0.74 -1.26 -2.67 119.66 118.18 2bz2 s GLN 97 Ca 0.29 -1.72 0.00 0.00 0.05 0.00 0.00 55.36 53.99 2bz2 s GLN 97 Cb 0.03 -0.92 0.00 0.00 1.10 0.00 0.00 33.01 33.22 2bz2 s GLN 97 CO 0.12 -0.01 0.00 0.28 -0.55 0.00 0.00 175.29 175.13 2bz2 n VAL 98 N -0.49 0.00 0.25 1.34 0.31 0.48 -4.92 118.33 115.29 2bz2 n VAL 98 Ca -0.06 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.43 2bz2 n VAL 98 Cb 0.63 0.00 0.71 0.00 -0.91 0.00 0.00 33.84 34.27 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 -2.05 -3.31 114.58 119.85 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 -3.09 0.00 -4.11 1.42 2.88 -1.26 -5.16 113.62 104.29 2bz2 n SER 100 Ca 0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.46 2bz2 n SER 100 Cb 0.54 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.08 -0.09 2.46 1.01 -1.25 -5.13 120.40 117.48 2bz2 s VAL 101 Ca 0.00 -1.81 0.03 0.00 0.00 0.00 0.00 61.98 60.20 2bz2 s VAL 101 Cb 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2bz2 s VAL 101 CO 0.00 -0.37 -0.19 -1.10 0.00 0.00 0.00 175.10 173.44 2bz2 s GLN 102 N -4.04 2.55 -0.18 2.72 -0.21 -1.26 -0.39 119.66 118.85 2bz2 s GLN 102 Ca 0.24 -0.70 -0.16 0.00 0.02 0.00 0.00 55.36 54.76 2bz2 s GLN 102 Cb 0.06 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 32.03 2bz2 s GLN 102 CO 0.03 0.09 0.38 -0.51 -2.12 0.00 0.00 175.29 173.16 2bz2 s LEU 103 N 0.55 4.20 -0.15 2.90 1.43 -1.09 -4.60 118.68 121.91 2bz2 s LEU 103 Ca -0.15 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 2bz2 s LEU 103 Cb -0.17 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2bz2 s LEU 103 CO 0.05 -0.02 -0.18 -0.54 0.23 0.00 0.00 176.35 175.90 2bz2 s LYS 104 N 0.97 3.12 -0.04 1.70 1.02 -0.42 -3.75 119.74 122.34 2bz2 s LYS 104 Ca 0.19 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.41 2bz2 s LYS 104 Cb -0.14 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 2bz2 s LYS 104 CO 0.07 -0.02 -0.08 0.08 -0.92 0.00 0.00 175.35 174.48 2bz2 s VAL 105 N 0.87 3.60 0.32 3.17 1.01 -1.26 0.11 120.40 128.23 2bz2 s VAL 105 Ca -0.05 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2bz2 s VAL 105 Cb -0.15 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2bz2 s VAL 105 CO -0.02 0.52 0.18 0.20 0.00 0.00 0.00 175.10 175.97 2bz2 s ASN 106 N -1.05 1.70 -0.21 3.32 0.01 0.55 -4.96 114.94 114.31 2bz2 s ASN 106 Ca 0.14 -1.60 -0.04 0.00 -0.71 0.00 0.00 52.86 50.65 2bz2 s ASN 106 Cb -0.11 0.43 -0.01 0.00 0.41 0.00 0.00 41.25 41.97 2bz2 s ASN 106 CO 0.04 -0.92 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.03 2bz2 s ILE 107 N -3.54 3.44 -0.05 0.60 1.01 -1.26 -1.23 121.20 120.16 2bz2 s ILE 107 Ca 0.35 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2bz2 s ILE 107 Cb 0.04 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 2bz2 s ILE 107 CO 0.19 0.43 1.58 0.00 0.00 0.00 0.00 174.94 177.14 2bz2 s ALA 108 N 1.28 3.63 0.27 9.38 0.00 -1.26 -4.88 121.76 130.18 2bz2 s ALA 108 Ca 0.03 0.89 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 2bz2 s ALA 108 Cb -0.14 -3.71 0.36 0.00 0.00 0.00 0.00 23.12 19.63 2bz2 s ALA 108 CO -0.02 -1.30 1.89 0.00 0.00 0.00 0.00 175.76 176.34 2bz2 h ARG 109 N 9.10 1.07 -6.60 0.00 3.08 -1.97 -3.41 114.38 115.64 2bz2 h ARG 109 Ca -0.38 -0.12 -0.52 0.00 0.07 0.00 0.00 59.98 59.03 2bz2 h ARG 109 Cb 1.17 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2bz2 h ARG 109 CO 0.95 0.79 0.41 0.21 -1.07 0.00 0.00 179.97 181.26 2bz2 s LYS 110 N -5.70 4.65 0.88 0.04 2.20 -1.26 -5.02 119.74 115.53 2bz2 s LYS 110 Ca -0.11 1.57 -0.10 0.00 -0.36 0.00 0.00 55.97 56.96 2bz2 s LYS 110 Cb 0.17 -3.34 0.12 0.00 -1.51 0.00 0.00 37.83 33.28 2bz2 s LYS 110 CO 0.81 0.14 1.12 -0.65 -0.36 0.00 0.00 175.35 176.41 2bz2 s GLN 111 N -0.11 1.34 0.48 4.03 -0.21 -1.26 -4.89 119.66 119.03 2bz2 s GLN 111 Ca 0.48 1.35 0.31 0.00 0.02 0.00 0.00 55.36 57.53 2bz2 s GLN 111 Cb -0.26 -1.78 1.33 0.00 1.00 0.00 0.00 33.01 33.30 2bz2 s GLN 111 CO 0.32 -2.34 1.93 -1.00 -2.12 0.00 0.00 175.29 172.07 2bz2 h PRO 112 N -1.65 0.00 -0.03 2.91 0.13 -1.92 -3.50 132.00 127.94 2bz2 h PRO 112 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2bz2 h PRO 112 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2bz2 h PRO 112 CO 0.46 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 176.90