#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bz2 h PRO 36 N 0.00 0.00 -0.55 0.00 0.13 -1.93 -2.99 132.00 126.65 2bz2 h PRO 36 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2bz2 h PRO 36 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2bz2 h PRO 36 CO 0.00 0.11 0.37 0.00 -0.23 0.00 0.00 178.00 178.25 2bz2 h ARG 37 N 0.00 0.56 0.00 0.86 3.08 -1.98 0.25 114.38 117.15 2bz2 h ARG 37 Ca -0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2bz2 h ARG 37 Cb 0.56 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2bz2 h ARG 37 CO 0.01 0.37 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.02 2bz2 h LYS 38 N 0.58 0.00 0.00 0.04 3.64 -1.89 -3.48 116.57 115.46 2bz2 h LYS 38 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2bz2 h LYS 38 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2bz2 h LYS 38 CO -0.06 0.04 0.00 0.41 -2.27 0.00 0.00 179.45 177.57 2bz2 n GLY 39 N -1.35 -2.20 3.13 5.01 0.00 0.07 -4.92 105.19 104.93 2bz2 n GLY 39 Ca -0.03 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.39 -1.08 0.12 1.61 3.84 -1.02 -4.79 114.94 110.23 2bz2 s ASN 40 Ca 0.00 -0.83 -0.30 0.00 0.21 0.00 0.00 52.86 51.94 2bz2 s ASN 40 Cb 0.00 1.73 -0.06 0.00 -0.55 0.00 0.00 41.25 42.37 2bz2 s ASN 40 CO 0.00 -0.20 1.08 -0.89 -2.79 0.00 0.00 177.10 174.30 2bz2 s THR 41 N 1.87 4.14 0.05 -5.21 2.01 -1.26 -1.92 115.64 115.32 2bz2 s THR 41 Ca 0.16 1.73 0.06 0.00 0.31 0.00 0.00 61.69 63.95 2bz2 s THR 41 Cb -0.06 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2bz2 s THR 41 CO -0.08 0.24 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.19 2bz2 s LEU 42 N 0.13 2.81 -0.34 4.42 1.43 0.50 -4.06 118.68 123.56 2bz2 s LEU 42 Ca 0.51 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 2bz2 s LEU 42 Cb -0.27 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2bz2 s LEU 42 CO 0.32 0.25 0.25 -0.47 0.23 0.00 0.00 176.35 176.93 2bz2 s TYR 43 N -1.00 3.23 -0.10 0.29 5.04 -0.80 -0.80 117.35 123.22 2bz2 s TYR 43 Ca 0.16 -0.19 -0.01 0.00 -2.44 0.00 0.00 57.07 54.59 2bz2 s TYR 43 Cb -0.11 -2.50 -0.03 0.00 0.35 0.00 0.00 41.96 39.68 2bz2 s TYR 43 CO 0.07 -0.37 -0.04 0.08 -1.34 0.00 0.00 175.55 173.96 2bz2 s VAL 44 N 1.76 3.91 0.04 3.14 1.01 0.10 0.10 120.40 130.46 2bz2 s VAL 44 Ca 0.07 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2bz2 s VAL 44 Cb -0.17 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2bz2 s VAL 44 CO 0.11 0.57 -0.22 -0.47 0.00 0.00 0.00 175.10 175.08 2bz2 s TYR 45 N -0.44 1.92 0.00 5.22 5.04 0.46 -0.12 117.35 129.43 2bz2 s TYR 45 Ca 0.07 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 2bz2 s TYR 45 Cb -0.12 -1.14 0.00 0.00 0.35 0.00 0.00 41.96 41.04 2bz2 s TYR 45 CO 0.02 0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.74 2bz2 n GLY 46 N 1.84 1.16 3.92 8.97 0.00 -1.21 -0.95 105.19 118.92 2bz2 n GLY 46 Ca -0.17 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 2bz2 n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bz2 s GLU 47 N -2.00 3.49 -1.02 1.61 -1.05 -1.26 -4.52 118.70 113.94 2bz2 s GLU 47 Ca 0.00 -0.39 -0.17 0.00 -0.15 0.00 0.00 54.97 54.27 2bz2 s GLU 47 Cb 0.00 -2.95 0.01 0.00 -0.44 0.00 0.00 34.13 30.76 2bz2 s GLU 47 CO 0.00 0.52 0.69 -0.25 0.95 0.00 0.00 175.26 177.17 2bz2 n ASP 48 N -0.12 -5.07 -4.54 0.83 8.00 -1.26 -4.94 116.55 109.44 2bz2 n ASP 48 Ca -0.05 -1.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.12 2bz2 n ASP 48 Cb 0.52 -2.51 -0.12 0.00 -0.02 0.00 0.00 41.12 39.00 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 -5.80 2.69 0.28 -1.24 -1.94 -1.26 -5.12 119.30 106.89 2bz2 s MET 49 Ca 0.29 -0.60 0.12 0.00 -1.71 0.00 0.00 55.69 53.78 2bz2 s MET 49 Cb -0.13 -2.52 -0.05 0.00 2.01 0.00 0.00 34.83 34.14 2bz2 s MET 49 CO 0.90 0.63 -0.19 0.95 -0.01 0.00 0.00 175.02 177.30 2bz2 s THR 50 N -0.74 2.53 0.21 2.05 -4.23 -1.26 -5.03 115.64 109.17 2bz2 s THR 50 Ca 0.11 -2.38 -0.03 0.00 -1.18 0.00 0.00 61.69 58.21 2bz2 s THR 50 Cb -0.11 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 2bz2 s THR 50 CO 0.01 -0.39 1.57 1.55 -0.54 0.00 0.00 174.62 176.82 2bz2 h PRO 51 N 2.26 0.64 -0.22 3.99 0.13 -1.99 -2.46 132.00 134.36 2bz2 h PRO 51 Ca -0.40 -0.32 -0.09 0.00 -0.87 0.00 0.00 66.00 64.31 2bz2 h PRO 51 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2bz2 h PRO 51 CO 0.60 0.92 -0.23 1.79 -0.23 0.00 0.00 178.00 180.85 2bz2 h THR 52 N 0.53 1.32 -0.75 1.56 1.35 -1.99 -2.01 112.91 112.92 2bz2 h THR 52 Ca 0.05 -1.40 -0.01 0.00 -0.55 0.00 0.00 66.41 64.49 2bz2 h THR 52 Cb 0.91 1.74 -0.04 0.00 -1.73 0.00 0.00 68.15 69.03 2bz2 h THR 52 CO 0.08 0.43 0.42 0.25 -0.25 0.00 0.00 175.52 176.45 2bz2 h LEU 53 N 0.22 0.92 -0.55 3.87 5.85 -1.97 -2.11 115.31 121.54 2bz2 h LEU 53 Ca 0.03 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 2bz2 h LEU 53 Cb 0.79 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2bz2 h LEU 53 CO 0.06 0.74 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.75 2bz2 h LEU 54 N 1.04 1.01 -1.71 2.25 3.38 -1.33 -1.95 115.31 118.02 2bz2 h LEU 54 Ca 0.27 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2bz2 h LEU 54 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2bz2 h LEU 54 CO -0.04 1.11 0.17 0.03 0.09 0.00 0.00 178.44 179.80 2bz2 h ARG 55 N 0.90 0.36 -0.01 1.13 3.08 -0.72 0.43 114.38 119.56 2bz2 h ARG 55 Ca 0.15 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.95 2bz2 h ARG 55 Cb 0.63 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2bz2 h ARG 55 CO 0.04 0.25 -0.93 0.78 -1.07 0.00 0.00 179.97 179.05 2bz2 h GLY 56 N 0.40 0.52 1.96 0.04 0.00 -0.99 1.69 103.07 106.68 2bz2 h GLY 56 Ca 0.10 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.55 2bz2 h GLY 56 CO -0.02 0.78 -0.04 0.00 0.00 0.00 0.00 176.54 177.26 2bz2 h ALA 57 N 0.71 0.98 -0.01 3.60 0.00 -0.56 -3.24 119.26 120.74 2bz2 h ALA 57 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bz2 h ALA 57 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2bz2 h ALA 57 CO 0.16 0.00 -0.05 1.19 0.00 0.00 0.00 179.25 180.55 2bz2 n PHE 58 N -2.75 0.00 0.21 0.00 3.01 0.14 -4.62 117.46 113.45 2bz2 n PHE 58 Ca 0.04 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.36 2bz2 n PHE 58 Cb 0.49 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.88 2bz2 n PHE 58 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2bz2 h SER 59 N 0.89 -0.42 0.66 4.37 0.87 0.25 -3.01 113.55 117.16 2bz2 h SER 59 Ca 0.00 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 2bz2 h SER 59 Cb 0.22 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2bz2 h SER 59 CO 0.00 -0.19 -0.13 1.55 -0.53 0.00 0.00 176.83 177.53 2bz2 h PRO 60 N -0.64 0.00 0.00 2.24 0.13 -1.81 -2.59 132.00 129.34 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 0.46 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 2bz2 h PRO 60 CO 0.08 0.13 -0.02 0.74 -0.23 0.00 0.00 178.00 178.71 2bz2 h PHE 61 N 0.00 0.00 0.00 1.56 0.04 -1.79 -3.48 116.94 113.27 2bz2 h PHE 61 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2bz2 h PHE 61 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2bz2 h PHE 61 CO 0.00 0.02 0.00 0.41 -0.60 0.00 0.00 178.31 178.14 2bz2 n GLY 62 N 0.29 -2.50 3.70 -1.45 0.00 -0.97 -4.57 105.19 99.67 2bz2 n GLY 62 Ca 0.01 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.05 6.42 -0.19 1.61 0.01 -1.26 -4.42 114.94 116.05 2bz2 s ASN 63 Ca 0.00 0.49 -0.14 0.00 -0.71 0.00 0.00 52.86 52.50 2bz2 s ASN 63 Cb 0.00 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 2bz2 s ASN 63 CO 0.00 0.01 0.30 -0.63 -1.51 0.00 0.00 177.10 175.27 2bz2 s ILE 64 N 0.90 5.28 -0.45 0.60 1.01 -1.26 -2.75 121.20 124.53 2bz2 s ILE 64 Ca 0.17 0.52 0.21 0.00 0.00 0.00 0.00 60.65 61.56 2bz2 s ILE 64 Cb -0.14 -3.64 -0.29 0.00 0.01 0.00 0.00 42.46 38.40 2bz2 s ILE 64 CO 0.06 0.33 0.66 2.30 0.00 0.00 0.00 174.94 178.29 2bz2 n ILE 65 N 4.01 0.00 -3.62 2.92 -5.35 -1.18 -4.87 119.36 111.27 2bz2 n ILE 65 Ca -0.11 -0.28 -0.20 0.00 -0.27 0.00 0.00 62.75 61.89 2bz2 n ILE 65 Cb 0.52 0.44 -0.16 0.00 -1.74 0.00 0.00 39.64 38.70 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 -3.83 1.34 -0.20 7.28 2.15 -1.26 -5.05 116.67 117.11 2bz2 s ASP 66 Ca -0.01 -0.05 0.01 0.00 0.43 0.00 0.00 52.55 52.93 2bz2 s ASP 66 Cb 0.15 0.08 0.03 0.00 -0.30 0.00 0.00 42.92 42.88 2bz2 s ASP 66 CO 0.89 -0.29 -0.16 -0.22 -0.17 0.00 0.00 175.17 175.22 2bz2 s LEU 67 N 2.23 2.36 0.16 -1.34 2.96 -1.26 -1.30 118.68 122.50 2bz2 s LEU 67 Ca 0.04 -0.82 0.08 0.00 -0.22 0.00 0.00 54.13 53.21 2bz2 s LEU 67 Cb -0.14 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2bz2 s LEU 67 CO -0.07 -0.07 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.37 2bz2 s SER 68 N 1.30 4.35 -0.00 3.68 0.01 -0.99 -5.01 113.70 117.04 2bz2 s SER 68 Ca 0.01 -0.52 0.06 0.00 1.31 0.00 0.00 55.95 56.82 2bz2 s SER 68 Cb -0.15 -0.78 -0.02 0.00 0.21 0.00 0.00 66.02 65.28 2bz2 s SER 68 CO -0.10 0.12 -0.19 -0.04 0.41 0.00 0.00 173.24 173.43 2bz2 s MET 69 N -2.72 1.51 -0.45 12.44 1.00 -1.26 -1.80 119.30 128.02 2bz2 s MET 69 Ca 0.24 -0.73 0.03 0.00 0.00 0.00 0.00 55.69 55.23 2bz2 s MET 69 Cb -0.09 -1.49 0.13 0.00 0.00 0.00 0.00 34.83 33.37 2bz2 s MET 69 CO 0.15 0.40 0.22 -0.51 0.00 0.00 0.00 175.02 175.29 2bz2 s ASP 70 N -0.60 3.97 0.28 3.03 1.11 0.67 -4.96 116.67 120.18 2bz2 s ASP 70 Ca 0.07 -2.66 0.13 0.00 0.18 0.00 0.00 52.55 50.27 2bz2 s ASP 70 Cb -0.08 -1.26 0.33 0.00 1.07 0.00 0.00 42.92 42.98 2bz2 s ASP 70 CO -0.00 -0.27 1.57 1.55 1.18 0.00 0.00 175.17 179.20 2bz2 h PRO 71 N 6.80 0.00 0.00 8.23 0.13 -1.96 -0.22 132.00 144.97 2bz2 h PRO 71 Ca -0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 2bz2 h PRO 71 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2bz2 h PRO 71 CO 0.55 0.59 -0.34 -1.00 -0.23 0.00 0.00 178.00 177.58 2bz2 h PRO 72 N 0.00 0.00 -0.01 1.56 0.13 -1.93 -3.21 132.00 128.53 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2bz2 h PRO 72 CO 0.08 0.34 -0.10 -2.13 -0.23 0.00 0.00 178.00 175.95 2bz2 n ARG 73 N -3.32 1.24 -3.35 0.86 0.63 -1.22 -4.99 116.66 106.50 2bz2 n ARG 73 Ca 0.01 -0.88 -0.18 0.00 -0.92 0.00 0.00 57.85 55.87 2bz2 n ARG 73 Cb 0.57 -1.15 0.07 0.00 0.45 0.00 0.00 32.46 32.40 2bz2 n ARG 73 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2bz2 n ASN 74 N 0.20 -4.73 -4.14 6.15 3.02 -0.54 -5.00 115.26 110.23 2bz2 n ASN 74 Ca 0.05 -0.46 -0.10 0.00 -0.03 0.00 0.00 54.58 54.04 2bz2 n ASN 74 Cb 0.24 -4.27 -0.10 0.00 -0.61 0.00 0.00 39.78 35.04 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 -4.04 0.28 -0.03 0.00 0.00 0.83 -0.23 121.76 118.56 2bz2 s ALA 76 Ca 0.23 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2bz2 s ALA 76 Cb 0.07 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 2bz2 s ALA 76 CO 0.01 -0.30 -0.22 -0.06 0.00 0.00 0.00 175.76 175.19 2bz2 s PHE 77 N -2.93 2.45 -0.11 0.00 0.08 -0.74 0.01 117.98 116.74 2bz2 s PHE 77 Ca -0.02 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.67 2bz2 s PHE 77 Cb 0.01 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.93 2bz2 s PHE 77 CO -0.06 0.02 -0.14 0.08 -0.10 0.00 0.00 175.22 175.01 2bz2 s VAL 78 N -0.61 1.41 -0.12 -0.44 1.01 0.02 -2.33 120.40 119.34 2bz2 s VAL 78 Ca 0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2bz2 s VAL 78 Cb -0.10 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2bz2 s VAL 78 CO -0.00 0.43 0.07 -0.89 0.00 0.00 0.00 175.10 174.71 2bz2 s THR 79 N 1.11 4.91 0.15 3.92 2.01 -0.42 0.19 115.64 127.51 2bz2 s THR 79 Ca -0.04 -0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.05 2bz2 s THR 79 Cb -0.14 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2bz2 s THR 79 CO -0.03 0.58 -0.26 -0.31 -0.69 0.00 0.00 174.62 173.91 2bz2 s TYR 80 N -0.64 2.29 0.13 4.92 2.02 -0.81 -3.11 117.35 122.15 2bz2 s TYR 80 Ca 0.12 -0.37 0.09 0.00 -0.37 0.00 0.00 57.07 56.53 2bz2 s TYR 80 Cb -0.12 -1.20 -0.02 0.00 -0.40 0.00 0.00 41.96 40.22 2bz2 s TYR 80 CO 0.02 0.39 1.39 0.93 -1.57 0.00 0.00 175.55 176.72 2bz2 h GLU 81 N 3.63 0.00 -5.95 -0.62 5.08 -1.85 -2.70 114.58 112.17 2bz2 h GLU 81 Ca -0.49 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.19 2bz2 h GLU 81 Cb 1.18 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.20 2bz2 h GLU 81 CO 0.42 0.84 -0.75 0.21 -1.00 0.00 0.00 179.01 178.73 2bz2 s LYS 82 N -2.97 2.86 0.47 2.33 2.20 -1.26 -4.60 119.74 118.77 2bz2 s LYS 82 Ca 0.01 -0.66 0.13 0.00 -0.36 0.00 0.00 55.97 55.09 2bz2 s LYS 82 Cb 0.10 -2.51 1.10 0.00 -1.51 0.00 0.00 37.83 35.01 2bz2 s LYS 82 CO 0.79 0.49 2.09 0.52 -0.36 0.00 0.00 175.35 178.89 2bz2 h MET 83 N 5.79 0.14 0.00 4.03 2.86 -1.87 -0.91 114.93 124.98 2bz2 h MET 83 Ca -0.40 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.14 2bz2 h MET 83 Cb 1.18 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 2bz2 h MET 83 CO 0.53 0.14 -0.41 1.49 1.06 0.00 0.00 176.91 179.71 2bz2 h GLU 84 N 0.15 0.00 -0.43 1.72 4.57 -1.98 -2.73 114.58 115.88 2bz2 h GLU 84 Ca 0.04 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 2bz2 h GLU 84 Cb 0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2bz2 h GLU 84 CO -0.00 0.41 0.03 0.77 -1.18 0.00 0.00 179.01 179.04 2bz2 h SER 85 N 0.00 0.65 -0.00 1.04 0.02 -1.41 0.32 113.55 114.17 2bz2 h SER 85 Ca -0.00 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.69 2bz2 h SER 85 Cb 0.86 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.24 2bz2 h SER 85 CO 0.05 0.70 -0.48 0.00 -1.14 0.00 0.00 176.83 175.96 2bz2 h ALA 86 N 1.38 0.06 -0.43 3.77 0.00 -1.50 -2.68 119.26 119.86 2bz2 h ALA 86 Ca 0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2bz2 h ALA 86 Cb 0.37 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2bz2 h ALA 86 CO 0.01 0.26 0.12 0.22 0.00 0.00 0.00 179.25 179.86 2bz2 h ASP 87 N -0.25 0.57 -0.20 0.00 3.58 -1.34 -0.68 116.42 118.10 2bz2 h ASP 87 Ca -0.06 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 2bz2 h ASP 87 Cb 1.21 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2bz2 h ASP 87 CO 0.09 0.56 -0.02 -0.61 -2.88 0.00 0.00 179.24 176.38 2bz2 h GLN 88 N 0.62 0.37 -0.43 0.28 4.15 -0.95 0.14 115.11 119.28 2bz2 h GLN 88 Ca 0.14 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2bz2 h GLN 88 Cb 0.20 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2bz2 h GLN 88 CO -0.01 0.60 0.16 0.00 -1.93 0.00 0.00 178.83 177.64 2bz2 h ALA 89 N 0.76 0.56 0.00 3.38 0.00 -1.14 -1.09 119.26 121.72 2bz2 h ALA 89 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2bz2 h ALA 89 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2bz2 h ALA 89 CO 0.01 0.18 -0.23 0.28 0.00 0.00 0.00 179.25 179.50 2bz2 h VAL 90 N 0.55 0.71 0.00 0.00 2.07 -1.05 1.99 116.25 120.52 2bz2 h VAL 90 Ca 0.14 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2bz2 h VAL 90 Cb 0.22 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2bz2 h VAL 90 CO -0.01 0.22 -0.02 0.00 0.02 0.00 0.00 177.57 177.78 2bz2 h ALA 91 N 1.77 0.99 0.00 1.67 0.00 0.00 -3.09 119.26 120.60 2bz2 h ALA 91 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2bz2 h ALA 91 Cb 0.59 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2bz2 h ALA 91 CO 0.03 0.02 -0.81 0.39 0.00 0.00 0.00 179.25 178.88 2bz2 n GLU 92 N -3.10 0.09 -0.06 0.00 1.02 -0.48 -4.69 120.64 113.41 2bz2 n GLU 92 Ca 0.04 0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.26 2bz2 n GLU 92 Cb 0.54 -0.65 0.39 0.00 -0.02 0.00 0.00 31.44 31.70 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 -0.15 0.55 -9.44 -4.62 3.38 0.30 -3.41 115.31 101.91 2bz2 h LEU 93 Ca -0.06 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.36 2bz2 h LEU 93 Cb 0.72 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2bz2 h LEU 93 CO -0.04 0.39 0.88 0.21 0.09 0.00 0.00 178.44 179.97 2bz2 s ASN 94 N -6.54 6.74 0.00 -0.43 2.47 -1.13 -2.94 114.94 113.11 2bz2 s ASN 94 Ca -0.09 2.31 0.00 0.00 0.42 0.00 0.00 52.86 55.50 2bz2 s ASN 94 Cb 0.18 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 2bz2 s ASN 94 CO 0.75 -0.78 0.00 0.61 -3.72 0.00 0.00 177.10 173.96 2bz2 n GLY 95 N 3.76 0.92 3.33 1.21 0.00 -1.24 -4.87 105.19 108.30 2bz2 n GLY 95 Ca 0.14 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.74 1.19 0.28 2.61 -4.23 -1.15 -5.07 115.64 106.53 2bz2 s THR 96 Ca 0.00 -2.06 0.08 0.00 -1.18 0.00 0.00 61.69 58.53 2bz2 s THR 96 Cb 0.00 -2.23 -0.06 0.00 1.34 0.00 0.00 72.50 71.56 2bz2 s THR 96 CO 0.00 -0.43 -0.10 -1.58 -0.54 0.00 0.00 174.62 171.97 2bz2 s GLN 97 N -3.81 1.59 0.00 3.99 0.74 -1.26 -2.65 119.66 118.26 2bz2 s GLN 97 Ca 0.26 -1.78 0.00 0.00 0.05 0.00 0.00 55.36 53.88 2bz2 s GLN 97 Cb 0.04 -1.34 0.00 0.00 1.10 0.00 0.00 33.01 32.82 2bz2 s GLN 97 CO 0.07 0.12 0.00 0.28 -0.55 0.00 0.00 175.29 175.21 2bz2 n VAL 98 N -0.60 0.00 0.23 1.34 0.31 0.68 -4.92 118.33 115.37 2bz2 n VAL 98 Ca -0.06 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.44 2bz2 n VAL 98 Cb 0.63 -0.10 0.71 0.00 -0.91 0.00 0.00 33.84 34.17 2bz2 n VAL 98 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2bz2 h GLU 99 N 0.00 0.00 0.00 5.55 4.81 -2.05 -3.31 114.58 119.58 2bz2 h GLU 99 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2bz2 h GLU 99 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2bz2 h GLU 99 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 179.01 178.73 2bz2 n SER 100 N -3.14 0.00 -4.13 1.04 2.88 -1.26 -5.16 113.62 103.84 2bz2 n SER 100 Ca 0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.47 2bz2 n SER 100 Cb 0.57 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.09 -0.16 2.46 1.01 -1.25 -5.10 120.40 117.45 2bz2 s VAL 101 Ca 0.00 -1.86 0.01 0.00 0.00 0.00 0.00 61.98 60.13 2bz2 s VAL 101 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2bz2 s VAL 101 CO 0.00 -0.41 -0.18 -1.10 0.00 0.00 0.00 175.10 173.41 2bz2 s GLN 102 N -4.05 3.13 -0.24 2.72 -0.21 -1.26 -0.23 119.66 119.51 2bz2 s GLN 102 Ca 0.24 -0.79 -0.13 0.00 0.02 0.00 0.00 55.36 54.70 2bz2 s GLN 102 Cb 0.07 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 2bz2 s GLN 102 CO 0.02 -0.03 0.28 -0.51 -2.12 0.00 0.00 175.29 172.93 2bz2 s LEU 103 N 0.91 4.10 -0.18 2.90 1.43 -1.08 -4.40 118.68 122.34 2bz2 s LEU 103 Ca -0.04 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 2bz2 s LEU 103 Cb -0.15 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.79 2bz2 s LEU 103 CO -0.03 -0.04 -0.19 -0.75 0.23 0.00 0.00 176.35 175.57 2bz2 s LYS 104 N 1.43 2.98 0.10 1.70 2.20 -0.13 -3.69 119.74 124.32 2bz2 s LYS 104 Ca 0.13 -0.84 0.06 0.00 -0.36 0.00 0.00 55.97 54.95 2bz2 s LYS 104 Cb -0.15 -2.60 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 2bz2 s LYS 104 CO 0.07 -0.22 -0.05 0.08 -0.36 0.00 0.00 175.35 174.87 2bz2 s VAL 105 N 1.29 3.67 0.29 4.02 1.01 -1.26 0.18 120.40 129.60 2bz2 s VAL 105 Ca 0.04 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 60.94 2bz2 s VAL 105 Cb -0.13 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2bz2 s VAL 105 CO -0.12 0.12 0.22 0.20 0.00 0.00 0.00 175.10 175.52 2bz2 s ASN 106 N -2.23 1.24 -0.12 3.32 0.01 0.28 -4.90 114.94 112.54 2bz2 s ASN 106 Ca 0.23 -1.63 0.02 0.00 -0.71 0.00 0.00 52.86 50.78 2bz2 s ASN 106 Cb -0.11 0.49 -0.00 0.00 0.41 0.00 0.00 41.25 42.03 2bz2 s ASN 106 CO 0.16 -0.98 -0.20 -0.63 -1.51 0.00 0.00 177.10 173.94 2bz2 s ILE 107 N -3.67 2.37 0.09 0.60 1.01 -1.26 -1.90 121.20 118.45 2bz2 s ILE 107 Ca 0.39 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 60.20 2bz2 s ILE 107 Cb 0.04 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2bz2 s ILE 107 CO 0.22 0.54 -0.03 0.00 0.00 0.00 0.00 174.94 175.67 2bz2 s ALA 108 N 0.47 3.20 0.00 9.38 0.00 -1.26 -4.95 121.76 128.61 2bz2 s ALA 108 Ca -0.14 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.76 2bz2 s ALA 108 Cb -0.17 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 2bz2 s ALA 108 CO 0.06 0.68 -0.26 1.03 0.00 0.00 0.00 175.76 177.27 2bz2 s ARG 109 N -2.25 1.98 0.05 0.00 0.52 -1.26 -4.86 118.95 113.13 2bz2 s ARG 109 Ca 0.24 -0.98 0.07 0.00 -0.52 0.00 0.00 55.73 54.54 2bz2 s ARG 109 Cb -0.12 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 2bz2 s ARG 109 CO 0.17 0.54 -0.18 0.15 0.02 0.00 0.00 175.30 175.99 2bz2 s LYS 110 N -0.82 1.18 0.25 3.54 1.02 -1.26 -5.15 119.74 118.50 2bz2 s LYS 110 Ca 0.10 -0.92 0.10 0.00 0.02 0.00 0.00 55.97 55.27 2bz2 s LYS 110 Cb -0.10 -1.28 -0.05 0.00 -0.52 0.00 0.00 37.83 35.88 2bz2 s LYS 110 CO 0.00 0.32 -0.16 -0.65 -0.92 0.00 0.00 175.35 173.94 2bz2 s GLN 111 N -1.30 1.52 0.44 1.68 -0.21 -1.26 -5.12 119.66 115.41 2bz2 s GLN 111 Ca 0.05 -1.70 -0.24 0.00 0.02 0.00 0.00 55.36 53.50 2bz2 s GLN 111 Cb -0.09 -1.43 -0.08 0.00 1.00 0.00 0.00 33.01 32.42 2bz2 s GLN 111 CO 0.02 0.23 1.17 -1.25 -2.12 0.00 0.00 175.29 173.35 2bz2 s PRO 112 N -3.59 3.83 0.00 2.91 0.04 -1.26 -5.37 135.00 131.56 2bz2 s PRO 112 Ca 0.27 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2bz2 s PRO 112 Cb -0.02 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2bz2 s PRO 112 CO 0.11 -0.50 0.00 -1.33 0.04 0.00 0.00 177.00 175.32