#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bzc s LYS 2 N 0.00 1.23 -0.07 0.00 -0.14 -1.26 -1.36 119.74 118.14 2bzc s LYS 2 Ca 0.00 -0.50 0.03 0.00 -1.36 0.00 0.00 55.97 54.14 2bzc s LYS 2 Cb 0.00 -1.16 0.01 0.00 -1.68 0.00 0.00 37.83 35.00 2bzc s LYS 2 CO 0.00 0.27 -0.15 0.08 -0.76 0.00 0.00 175.35 174.80 2bzc s VAL 3 N -0.20 1.31 0.02 3.17 1.01 -0.53 -4.65 120.40 120.53 2bzc s VAL 3 Ca 0.03 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 2bzc s VAL 3 Cb -0.07 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 2bzc s VAL 3 CO 0.00 0.39 0.76 -1.61 0.00 0.00 0.00 175.10 174.64 2bzc s GLU 4 N 0.52 4.48 -0.38 2.72 2.02 0.26 -1.45 118.70 126.87 2bzc s GLU 4 Ca -0.14 1.03 -0.08 0.00 0.02 0.00 0.00 54.97 55.81 2bzc s GLU 4 Cb -0.15 -3.38 0.06 0.00 0.10 0.00 0.00 34.13 30.75 2bzc s GLU 4 CO 0.04 0.24 0.18 0.08 0.02 0.00 0.00 175.26 175.82 2bzc s VAL 5 N 0.13 3.98 0.00 2.63 1.01 -0.44 -0.01 120.40 127.70 2bzc s VAL 5 Ca 0.39 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2bzc s VAL 5 Cb -0.20 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2bzc s VAL 5 CO 0.22 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2bzc n GLY 6 N 4.85 -2.33 3.51 4.51 0.00 0.03 -1.20 105.19 114.57 2bzc n GLY 6 Ca -0.11 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 2bzc n GLY 6 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2bzc s ASP 7 N -2.85 0.62 0.36 1.61 1.47 -1.12 -4.48 116.67 112.28 2bzc s ASP 7 Ca 0.00 -1.35 0.27 0.00 1.18 0.00 0.00 52.55 52.65 2bzc s ASP 7 Cb 0.00 0.64 1.06 0.00 -0.34 0.00 0.00 42.92 44.27 2bzc s ASP 7 CO 0.00 -1.26 1.80 -0.33 0.68 0.00 0.00 175.17 176.07 2bzc h GLU 8 N 2.17 0.00 0.00 2.11 5.08 -1.95 -3.06 114.58 118.93 2bzc h GLU 8 Ca -0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 2bzc h GLU 8 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2bzc h GLU 8 CO 0.39 0.00 -0.83 0.28 -1.00 0.00 0.00 179.01 177.85 2bzc h VAL 9 N 0.00 0.06 0.00 3.13 2.07 -1.96 -3.45 116.25 116.10 2bzc h VAL 9 Ca 0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2bzc h VAL 9 Cb 0.49 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2bzc h VAL 9 CO 0.00 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.24 2bzc n GLY 10 N 1.18 1.18 3.78 2.17 0.00 -1.15 -5.10 105.19 107.25 2bzc n GLY 10 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2bzc n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bzc s ASN 11 N -2.00 6.72 -1.16 1.61 0.01 -1.26 -4.97 114.94 113.89 2bzc s ASN 11 Ca 0.00 2.15 -0.10 0.00 -0.71 0.00 0.00 52.86 54.20 2bzc s ASN 11 Cb 0.00 -2.60 0.24 0.00 0.41 0.00 0.00 41.25 39.30 2bzc s ASN 11 CO 0.00 -0.53 1.28 0.49 -1.51 0.00 0.00 177.10 176.84 2bzc n PHE 12 N 0.07 4.93 -3.86 2.20 3.72 -1.26 -4.01 117.46 119.25 2bzc n PHE 12 Ca 0.04 -3.60 -0.11 0.00 -0.05 0.00 0.00 57.45 53.73 2bzc n PHE 12 Cb 0.48 -1.87 -0.10 0.00 -0.94 0.00 0.00 39.48 37.06 2bzc n PHE 12 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2bzc s LYS 13 N -0.28 0.51 -0.00 -1.08 1.02 -1.26 -4.15 119.74 114.49 2bzc s LYS 13 Ca 0.36 -0.37 -0.04 0.00 0.02 0.00 0.00 55.97 55.94 2bzc s LYS 13 Cb -0.06 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 2bzc s LYS 13 CO -0.04 -0.13 0.21 -0.06 -0.92 0.00 0.00 175.35 174.42 2bzc s PHE 14 N -1.38 3.56 -0.19 3.18 0.08 -1.26 -0.79 117.98 121.17 2bzc s PHE 14 Ca -0.15 0.42 -0.01 0.00 0.12 0.00 0.00 56.93 57.31 2bzc s PHE 14 Cb -0.07 -1.88 0.06 0.00 -0.57 0.00 0.00 43.02 40.55 2bzc s PHE 14 CO 0.02 0.63 -0.00 0.71 -0.10 0.00 0.00 175.22 176.48 2bzc s TYR 15 N -1.32 1.46 0.78 0.36 2.02 0.99 -3.05 117.35 118.58 2bzc s TYR 15 Ca 0.27 -1.08 -0.12 0.00 -0.37 0.00 0.00 57.07 55.78 2bzc s TYR 15 Cb -0.13 -1.20 0.06 0.00 -0.40 0.00 0.00 41.96 40.29 2bzc s TYR 15 CO 0.18 -0.64 1.15 -1.25 -1.57 0.00 0.00 175.55 173.42 2bzc s PRO 16 N 1.71 2.24 0.00 -1.71 0.04 -1.26 0.91 135.00 136.93 2bzc s PRO 16 Ca -0.02 0.21 0.23 0.00 0.04 0.00 0.00 61.00 61.46 2bzc s PRO 16 Cb -0.17 -1.98 0.59 0.00 0.04 0.00 0.00 34.50 32.98 2bzc s PRO 16 CO -0.07 -1.42 1.47 -0.40 0.04 0.00 0.00 177.00 176.62 2bzc n ASP 17 N -3.21 2.48 -3.81 6.66 5.68 -1.17 -4.79 116.55 118.38 2bzc n ASP 17 Ca 0.08 -1.83 -0.17 0.00 -0.50 0.00 0.00 54.79 52.36 2bzc n ASP 17 Cb 0.60 -0.14 -0.16 0.00 -1.14 0.00 0.00 41.12 40.28 2bzc n ASP 17 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2bzc s SER 18 N -1.62 0.38 0.01 -1.12 0.01 -1.26 -0.52 113.70 109.58 2bzc s SER 18 Ca 0.35 -0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.54 2bzc s SER 18 Cb 0.20 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 2bzc s SER 18 CO 0.29 -0.11 0.08 0.27 0.41 0.00 0.00 173.24 174.19 2bzc s ILE 19 N 1.03 0.10 -0.11 1.44 -0.00 -0.73 -4.98 121.20 117.95 2bzc s ILE 19 Ca -0.10 -0.79 0.03 0.00 -0.00 0.00 0.00 60.65 59.80 2bzc s ILE 19 Cb -0.13 -0.40 -0.00 0.00 -0.00 0.00 0.00 42.46 41.93 2bzc s ILE 19 CO -0.02 -0.43 -0.22 -0.89 -0.00 0.00 0.00 174.94 173.38 2bzc s THR 20 N -1.47 2.21 0.25 8.37 2.01 -1.26 -0.77 115.64 124.98 2bzc s THR 20 Ca -0.15 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 60.95 2bzc s THR 20 Cb -0.08 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 2bzc s THR 20 CO 0.00 0.55 -0.06 0.68 -0.69 0.00 0.00 174.62 175.11 2bzc s VAL 21 N 0.36 1.51 0.29 3.82 -7.23 0.47 -4.97 120.40 114.65 2bzc s VAL 21 Ca -0.17 -2.12 -0.18 0.00 -1.81 0.00 0.00 61.98 57.70 2bzc s VAL 21 Cb -0.18 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.34 2bzc s VAL 21 CO 0.08 -0.37 0.75 -0.44 -0.31 0.00 0.00 175.10 174.81 2bzc s SER 22 N -3.38 6.93 0.07 4.85 0.01 -1.26 -0.41 113.70 120.51 2bzc s SER 22 Ca 0.28 1.39 -0.36 0.00 1.31 0.00 0.00 55.95 58.56 2bzc s SER 22 Cb 0.03 -2.41 -0.16 0.00 0.21 0.00 0.00 66.02 63.69 2bzc s SER 22 CO 0.10 -0.11 1.41 0.00 0.41 0.00 0.00 173.24 175.05 2bzc n ALA 23 N 0.12 -0.53 0.00 1.44 0.00 -1.26 -0.65 120.51 119.63 2bzc n ALA 23 Ca 0.01 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2bzc n ALA 23 Cb 0.52 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2bzc n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bzc n GLY 24 N 2.80 3.25 3.70 0.00 0.00 -1.23 -5.02 105.19 108.69 2bzc n GLY 24 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2bzc n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bzc s GLU 25 N -0.56 4.26 0.39 1.61 2.12 0.17 -4.89 118.70 121.81 2bzc s GLU 25 Ca 0.00 2.14 -0.25 0.00 0.36 0.00 0.00 54.97 57.22 2bzc s GLU 25 Cb 0.00 -3.45 -0.09 0.00 0.26 0.00 0.00 34.13 30.85 2bzc s GLU 25 CO 0.00 -0.58 1.07 0.00 -0.54 0.00 0.00 175.26 175.20 2bzc s ALA 26 N 1.98 3.11 -0.25 6.30 0.00 -1.26 -4.50 121.76 127.14 2bzc s ALA 26 Ca 0.67 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 53.30 2bzc s ALA 26 Cb -0.36 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2bzc s ALA 26 CO 0.30 -0.26 0.11 0.08 0.00 0.00 0.00 175.76 175.99 2bzc s VAL 27 N -1.59 4.70 -0.35 0.00 1.01 0.42 -0.80 120.40 123.79 2bzc s VAL 27 Ca 0.57 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 2bzc s VAL 27 Cb -0.24 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2bzc s VAL 27 CO 0.30 0.33 0.20 -0.70 0.00 0.00 0.00 175.10 175.23 2bzc s GLU 28 N 1.48 3.10 -0.22 2.72 2.12 -0.47 -0.60 118.70 126.83 2bzc s GLU 28 Ca 0.06 -0.90 -0.19 0.00 0.36 0.00 0.00 54.97 54.30 2bzc s GLU 28 Cb -0.15 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 2bzc s GLU 28 CO 0.05 -0.58 0.57 -0.06 -0.54 0.00 0.00 175.26 174.71 2bzc s PHE 29 N 1.61 3.34 -0.07 5.30 0.08 0.23 -1.45 117.98 127.03 2bzc s PHE 29 Ca 0.04 0.81 0.03 0.00 0.12 0.00 0.00 56.93 57.93 2bzc s PHE 29 Cb -0.18 -2.75 0.00 0.00 -0.57 0.00 0.00 43.02 39.53 2bzc s PHE 29 CO 0.07 -0.19 -0.17 0.99 -0.10 0.00 0.00 175.22 175.82 2bzc s THR 30 N 1.97 1.48 0.34 0.64 2.01 -0.53 -1.30 115.64 120.25 2bzc s THR 30 Ca 0.25 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 2bzc s THR 30 Cb -0.16 -1.30 -0.11 0.00 0.01 0.00 0.00 72.50 70.95 2bzc s THR 30 CO 0.10 0.43 1.47 -0.22 -0.69 0.00 0.00 174.62 175.71 2bzc s LEU 31 N 0.35 4.35 -0.08 4.42 2.96 0.60 -1.33 118.68 129.95 2bzc s LEU 31 Ca -0.12 2.92 0.03 0.00 -0.22 0.00 0.00 54.13 56.74 2bzc s LEU 31 Cb -0.15 -3.65 0.01 0.00 0.50 0.00 0.00 46.19 42.90 2bzc s LEU 31 CO 0.04 -0.80 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.41 2bzc s VAL 32 N -0.76 1.51 0.00 1.68 1.01 -0.34 -4.83 120.40 118.68 2bzc s VAL 32 Ca 0.55 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2bzc s VAL 32 Cb -0.45 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.59 2bzc s VAL 32 CO 0.56 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.71 2bzc n GLY 33 N 3.74 -2.80 0.05 4.51 0.00 -1.26 -2.78 105.19 106.64 2bzc n GLY 33 Ca -0.21 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.02 2bzc n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bzc n GLU 34 N -0.16 0.51 -2.29 1.61 4.71 -1.26 -4.87 120.64 118.89 2bzc n GLU 34 Ca 0.00 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.16 56.68 2bzc n GLU 34 Cb 0.00 -1.63 -0.03 0.00 -1.01 0.00 0.00 31.44 28.78 2bzc n GLU 34 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2bzc s THR 35 N -3.36 3.98 0.49 2.62 2.01 -1.26 -5.01 115.64 115.12 2bzc s THR 35 Ca -0.02 1.26 -0.22 0.00 0.31 0.00 0.00 61.69 63.02 2bzc s THR 35 Cb 0.13 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.76 2bzc s THR 35 CO 0.85 -0.07 1.18 -2.84 -0.69 0.00 0.00 174.62 173.05 2bzc s PRO 36 N 3.13 3.57 0.17 4.92 0.02 -1.26 -4.92 135.00 140.64 2bzc s PRO 36 Ca 0.61 1.78 -0.07 0.00 0.02 0.00 0.00 61.00 63.34 2bzc s PRO 36 Cb -0.27 -2.28 -0.02 0.00 0.02 0.00 0.00 34.50 31.95 2bzc s PRO 36 CO 0.22 -0.71 0.26 -1.01 -0.33 0.00 0.00 177.00 175.43 2bzc s HIS 37 N -1.57 0.54 0.13 6.54 3.76 -1.25 -4.97 115.29 118.47 2bzc s HIS 37 Ca 0.67 -0.89 0.03 0.00 -0.15 0.00 0.00 55.06 54.72 2bzc s HIS 37 Cb -0.29 -0.14 -0.01 0.00 1.11 0.00 0.00 32.58 33.25 2bzc s HIS 37 CO 0.34 -0.72 0.11 0.27 -0.85 0.00 0.00 174.74 173.89 2bzc n ASN 38 N -0.22 -0.28 -3.75 1.40 6.94 -1.26 -0.10 115.26 117.99 2bzc n ASN 38 Ca -0.05 -1.83 -0.14 0.00 -0.02 0.00 0.00 54.58 52.54 2bzc n ASN 38 Cb 0.63 0.64 -0.15 0.00 -2.36 0.00 0.00 39.78 38.55 2bzc n ASN 38 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2bzc s ILE 39 N -2.52 -0.05 -0.01 1.53 -1.16 -1.26 -4.10 121.20 113.63 2bzc s ILE 39 Ca 0.15 0.18 0.00 0.00 -0.51 0.00 0.00 60.65 60.47 2bzc s ILE 39 Cb 0.01 -0.22 0.02 0.00 0.61 0.00 0.00 42.46 42.87 2bzc s ILE 39 CO 0.11 0.07 0.01 -0.69 -2.81 0.00 0.00 174.94 171.63 2bzc s VAL 40 N 1.13 0.04 0.10 4.00 1.01 -0.05 -1.00 120.40 125.63 2bzc s VAL 40 Ca -0.09 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 2bzc s VAL 40 Cb -0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 36.38 36.09 2bzc s VAL 40 CO -0.05 0.07 0.75 -0.36 0.00 0.00 0.00 175.10 175.50 2bzc s PHE 41 N 0.55 3.82 0.23 5.22 0.08 -1.26 -0.48 117.98 126.13 2bzc s PHE 41 Ca -0.05 1.53 -0.31 0.00 0.12 0.00 0.00 56.93 58.22 2bzc s PHE 41 Cb -0.07 -2.77 -0.11 0.00 -0.57 0.00 0.00 43.02 39.50 2bzc s PHE 41 CO -0.01 0.40 1.57 -0.51 -0.10 0.00 0.00 175.22 176.57 2bzc s ASP 42 N -0.61 6.51 -0.36 1.36 1.01 -0.35 -4.91 116.67 119.31 2bzc s ASP 42 Ca 0.36 2.77 -0.13 0.00 0.71 0.00 0.00 52.55 56.26 2bzc s ASP 42 Cb -0.22 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.10 2bzc s ASP 42 CO 0.24 -0.84 0.24 -0.63 0.21 0.00 0.00 175.17 174.39 2bzc s ILE 43 N 0.52 5.08 0.36 0.77 -1.09 -1.26 -4.71 121.20 120.87 2bzc s ILE 43 Ca 0.66 -0.48 -0.28 0.00 -2.23 0.00 0.00 60.65 58.32 2bzc s ILE 43 Cb -0.45 -3.71 -0.11 0.00 -1.58 0.00 0.00 42.46 36.61 2bzc s ILE 43 CO 0.39 -0.13 1.50 -2.84 -1.23 0.00 0.00 174.94 172.64 2bzc s PRO 44 N 1.67 4.12 0.18 2.79 0.02 -1.26 -4.94 135.00 137.57 2bzc s PRO 44 Ca 0.05 2.57 -0.32 0.00 0.02 0.00 0.00 61.00 63.32 2bzc s PRO 44 Cb -0.18 -2.98 -0.11 0.00 0.02 0.00 0.00 34.50 31.25 2bzc s PRO 44 CO 0.09 -0.54 1.71 0.00 -0.33 0.00 0.00 177.00 177.93 2bzc s ALA 45 N -0.91 3.86 0.00 -1.55 0.00 -1.26 -2.75 121.76 119.15 2bzc s ALA 45 Ca 0.55 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.01 2bzc s ALA 45 Cb -0.47 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 18.96 2bzc s ALA 45 CO 0.60 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2bzc n GLY 46 N 3.99 3.24 3.68 0.00 0.00 -1.26 -5.09 105.19 109.74 2bzc n GLY 46 Ca 0.16 -1.09 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 2bzc n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bzc n ALA 47 N 0.00 1.11 -1.35 4.61 0.00 -1.11 -4.95 120.51 118.83 2bzc n ALA 47 Ca 0.00 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 2bzc n ALA 47 Cb 0.00 -2.25 0.09 0.00 0.00 0.00 0.00 19.45 17.29 2bzc n ALA 47 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bzc s PRO 48 N -1.23 2.18 0.27 0.00 0.02 -1.26 -4.71 135.00 130.27 2bzc s PRO 48 Ca 0.61 1.68 -0.00 0.00 0.02 0.00 0.00 61.00 63.31 2bzc s PRO 48 Cb -0.61 -1.85 0.58 0.00 0.02 0.00 0.00 34.50 32.64 2bzc s PRO 48 CO 0.57 -1.79 1.74 0.78 -0.33 0.00 0.00 177.00 177.97 2bzc h GLY 49 N -0.34 1.39 0.97 0.52 0.00 -1.99 -0.33 103.07 103.29 2bzc h GLY 49 Ca -0.47 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 46.66 2bzc h GLY 49 CO 0.50 -0.11 0.49 -0.91 0.00 0.00 0.00 176.54 176.52 2bzc h THR 50 N 0.54 1.17 -0.29 4.70 1.35 -1.99 -0.31 112.91 118.08 2bzc h THR 50 Ca 0.48 -0.34 -0.12 0.00 -0.55 0.00 0.00 66.41 65.88 2bzc h THR 50 Cb 0.76 0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.26 2bzc h THR 50 CO -0.41 0.18 -0.28 0.58 -0.25 0.00 0.00 175.52 175.34 2bzc h VAL 51 N 1.00 1.30 -0.64 6.82 2.07 -1.61 -1.26 116.25 123.92 2bzc h VAL 51 Ca 0.28 -1.44 0.07 0.00 0.82 0.00 0.00 66.70 66.44 2bzc h VAL 51 Cb -0.08 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2bzc h VAL 51 CO -0.08 0.46 0.32 0.00 0.02 0.00 0.00 177.57 178.29 2bzc h ALA 52 N 0.71 0.86 -0.63 1.67 0.00 -0.90 -0.55 119.26 120.41 2bzc h ALA 52 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2bzc h ALA 52 Cb 0.84 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2bzc h ALA 52 CO 0.07 -0.06 0.35 0.77 0.00 0.00 0.00 179.25 180.38 2bzc h SER 53 N 0.57 0.79 -0.43 0.00 0.02 -0.87 -0.99 113.55 112.63 2bzc h SER 53 Ca 0.30 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2bzc h SER 53 Cb 0.28 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2bzc h SER 53 CO -0.23 0.66 0.26 -0.33 -1.14 0.00 0.00 176.83 176.05 2bzc h GLU 54 N 0.86 0.50 -0.29 3.45 5.08 -0.85 -1.62 114.58 121.72 2bzc h GLU 54 Ca 0.22 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.40 2bzc h GLU 54 Cb 0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2bzc h GLU 54 CO -0.04 0.33 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.81 2bzc h LEU 55 N 0.52 0.80 -0.64 1.33 3.38 -0.87 -1.11 115.31 118.72 2bzc h LEU 55 Ca 0.17 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2bzc h LEU 55 Cb 0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2bzc h LEU 55 CO -0.08 1.12 0.38 0.11 0.09 0.00 0.00 178.44 180.07 2bzc h LYS 56 N 0.60 0.87 0.00 1.13 1.57 -1.09 -2.58 116.57 117.06 2bzc h LYS 56 Ca 0.04 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2bzc h LYS 56 Cb 0.99 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2bzc h LYS 56 CO 0.09 0.62 -0.36 0.00 -0.57 0.00 0.00 179.45 179.24 2bzc h ALA 57 N 1.20 1.29 -0.03 3.86 0.00 -1.02 -2.14 119.26 122.42 2bzc h ALA 57 Ca 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2bzc h ALA 57 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2bzc h ALA 57 CO -0.04 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2bzc n ALA 58 N -2.42 2.61 -2.58 0.00 0.00 -0.44 -4.86 120.51 112.82 2bzc n ALA 58 Ca -0.02 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 2bzc n ALA 58 Cb 0.41 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 2bzc n ALA 58 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2bzc s SER 59 N -1.69 4.54 0.73 0.00 0.01 -0.80 -4.70 113.70 111.78 2bzc s SER 59 Ca 0.33 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.33 2bzc s SER 59 Cb 0.16 -1.05 0.04 0.00 0.21 0.00 0.00 66.02 65.38 2bzc s SER 59 CO 0.26 0.30 1.09 -0.04 0.41 0.00 0.00 173.24 175.26 2bzc s MET 60 N -1.27 2.49 0.56 12.44 -1.94 -0.17 -4.99 119.30 126.42 2bzc s MET 60 Ca 0.16 1.18 -0.18 0.00 -1.71 0.00 0.00 55.69 55.14 2bzc s MET 60 Cb -0.11 -1.93 -0.05 0.00 2.01 0.00 0.00 34.83 34.75 2bzc s MET 60 CO 0.06 -1.46 1.07 -0.51 -0.01 0.00 0.00 175.02 174.17 2bzc s ASP 61 N -3.27 5.86 0.00 3.03 1.01 -1.26 -4.76 116.67 117.27 2bzc s ASP 61 Ca 0.62 1.96 0.21 0.00 0.71 0.00 0.00 52.55 56.04 2bzc s ASP 61 Cb -0.17 -2.55 1.01 0.00 1.01 0.00 0.00 42.92 42.21 2bzc s ASP 61 CO 0.52 -1.12 1.66 -0.62 0.21 0.00 0.00 175.17 175.83 2bzc n GLU 62 N -1.58 0.22 -0.33 8.23 1.02 -1.26 -1.37 120.64 125.58 2bzc n GLU 62 Ca 0.10 0.10 0.10 0.00 -0.02 0.00 0.00 57.16 57.44 2bzc n GLU 62 Cb 0.52 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.71 2bzc n GLU 62 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2bzc n ASN 63 N -1.34 3.33 -4.24 1.62 5.15 -1.26 -4.91 115.26 113.61 2bzc n ASN 63 Ca 0.09 -2.03 -0.32 0.00 -0.60 0.00 0.00 54.58 51.72 2bzc n ASN 63 Cb 0.19 -0.42 -0.17 0.00 -0.53 0.00 0.00 39.78 38.85 2bzc n ASN 63 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2bzc s ASP 64 N -0.99 3.13 0.06 1.20 -1.08 -0.47 -5.13 116.67 113.40 2bzc s ASP 64 Ca 0.41 -0.53 0.07 0.00 -0.52 0.00 0.00 52.55 51.98 2bzc s ASP 64 Cb 0.22 -1.24 -0.03 0.00 -1.46 0.00 0.00 42.92 40.41 2bzc s ASP 64 CO 0.27 0.19 -0.20 -0.76 0.52 0.00 0.00 175.17 175.19 2bzc s LEU 65 N 0.18 2.21 0.43 -1.34 1.43 -1.26 -4.68 118.68 115.64 2bzc s LEU 65 Ca -0.14 -0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 52.16 2bzc s LEU 65 Cb -0.17 -0.93 -0.08 0.00 0.03 0.00 0.00 46.19 45.05 2bzc s LEU 65 CO 0.07 0.12 1.14 -0.76 0.23 0.00 0.00 176.35 177.15 2bzc s LEU 66 N -1.40 4.09 0.00 1.79 1.43 0.86 -4.88 118.68 120.56 2bzc s LEU 66 Ca 0.07 2.25 0.01 0.00 -1.03 0.00 0.00 54.13 55.42 2bzc s LEU 66 Cb -0.09 -4.17 -0.00 0.00 0.03 0.00 0.00 46.19 41.95 2bzc s LEU 66 CO 0.02 -0.75 0.09 -1.54 0.23 0.00 0.00 176.35 174.41 2bzc n SER 67 N -0.25 -0.24 0.20 2.29 3.41 0.22 -3.83 113.62 115.43 2bzc n SER 67 Ca 0.06 -1.47 0.06 0.00 -0.26 0.00 0.00 58.87 57.26 2bzc n SER 67 Cb 0.48 0.49 0.41 0.00 -0.26 0.00 0.00 64.21 65.34 2bzc n SER 67 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2bzc h GLU 68 N 0.00 0.00 0.00 4.33 4.57 -1.95 -2.84 114.58 118.69 2bzc h GLU 68 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2bzc h GLU 68 Cb 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2bzc h GLU 68 CO 0.08 0.33 0.00 -0.25 -1.18 0.00 0.00 179.01 177.99 2bzc n ASP 69 N -3.68 0.00 -4.38 1.04 9.92 -1.26 -4.41 116.55 113.78 2bzc n ASP 69 Ca -0.01 0.73 -0.45 0.00 -0.53 0.00 0.00 54.79 54.52 2bzc n ASP 69 Cb 0.44 -0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 2bzc n ASP 69 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2bzc s GLU 70 N -1.96 3.43 0.13 -1.24 2.12 -1.24 -4.92 118.70 115.03 2bzc s GLU 70 Ca 0.00 -1.89 0.12 0.00 0.36 0.00 0.00 54.97 53.56 2bzc s GLU 70 Cb 0.00 -4.55 -0.11 0.00 0.26 0.00 0.00 34.13 29.73 2bzc s GLU 70 CO 0.00 -1.53 1.15 -1.00 -0.54 0.00 0.00 175.26 173.34 2bzc h PRO 71 N 8.55 0.00 -4.86 4.30 0.13 -1.71 0.64 132.00 139.06 2bzc h PRO 71 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 2bzc h PRO 71 Cb 1.05 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.03 2bzc h PRO 71 CO 0.98 0.62 -0.62 -1.54 -0.23 0.00 0.00 178.00 177.21 2bzc s SER 72 N -6.35 1.10 -0.09 1.44 1.04 -1.26 -0.29 113.70 109.28 2bzc s SER 72 Ca 0.00 -1.38 -0.08 0.00 0.48 0.00 0.00 55.95 54.97 2bzc s SER 72 Cb 0.09 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.41 2bzc s SER 72 CO 0.80 -0.74 0.25 0.12 0.98 0.00 0.00 173.24 174.64 2bzc s PHE 73 N -3.79 -0.28 -0.19 5.02 5.36 -0.42 -5.00 117.98 118.68 2bzc s PHE 73 Ca 0.38 0.68 -0.02 0.00 -0.96 0.00 0.00 56.93 57.00 2bzc s PHE 73 Cb 0.08 0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.84 2bzc s PHE 73 CO 0.13 -0.15 -0.08 0.15 -1.46 0.00 0.00 175.22 173.82 2bzc s LYS 74 N 0.29 3.37 -0.12 10.12 1.02 -1.26 -0.60 119.74 132.56 2bzc s LYS 74 Ca -0.01 -0.65 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 2bzc s LYS 74 Cb -0.03 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 2bzc s LYS 74 CO -0.01 -0.06 -0.08 0.00 -0.92 0.00 0.00 175.35 174.27 2bzc s ALA 75 N 1.10 2.85 -0.18 5.17 0.00 0.23 -4.94 121.76 125.98 2bzc s ALA 75 Ca 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2bzc s ALA 75 Cb -0.15 -1.33 0.03 0.00 0.00 0.00 0.00 23.12 21.67 2bzc s ALA 75 CO -0.01 0.34 -0.17 0.15 0.00 0.00 0.00 175.76 176.06 2bzc s LYS 76 N 0.00 2.67 -0.18 0.00 1.02 -1.26 -0.44 119.74 121.56 2bzc s LYS 76 Ca -0.01 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.16 2bzc s LYS 76 Cb -0.14 -2.49 0.02 0.00 -0.52 0.00 0.00 37.83 34.70 2bzc s LYS 76 CO 0.03 -0.28 -0.19 0.08 -0.92 0.00 0.00 175.35 174.08 2bzc s VAL 77 N 1.32 1.98 -0.08 3.17 1.01 -1.26 -4.75 120.40 121.79 2bzc s VAL 77 Ca 0.03 -0.90 0.14 0.00 0.00 0.00 0.00 61.98 61.25 2bzc s VAL 77 Cb -0.14 -1.80 -0.17 0.00 0.00 0.00 0.00 36.38 34.26 2bzc s VAL 77 CO -0.11 0.52 0.79 0.28 0.00 0.00 0.00 175.10 176.57 2bzc h SER 78 N 7.96 0.00 -3.30 3.32 0.02 -1.95 -3.26 113.55 116.34 2bzc h SER 78 Ca -0.44 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.91 2bzc h SER 78 Cb 1.14 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.59 2bzc h SER 78 CO 0.62 0.78 0.44 -0.89 -1.14 0.00 0.00 176.83 176.64 2bzc s THR 79 N -2.77 4.85 0.48 -2.27 2.01 -1.26 -4.72 115.64 111.96 2bzc s THR 79 Ca -0.03 1.53 -0.24 0.00 0.31 0.00 0.00 61.69 63.25 2bzc s THR 79 Cb 0.08 -4.10 -0.07 0.00 0.01 0.00 0.00 72.50 68.42 2bzc s THR 79 CO 0.82 -0.06 1.36 -2.65 -0.69 0.00 0.00 174.62 173.40 2bzc n PRO 80 N 5.96 1.97 -1.94 4.92 -0.02 -1.26 -4.77 135.00 139.87 2bzc n PRO 80 Ca 0.05 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2bzc n PRO 80 Cb 0.48 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2bzc n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bzc n GLY 81 N 0.70 -0.89 3.29 -1.23 0.00 -0.88 -4.97 105.19 101.21 2bzc n GLY 81 Ca 0.07 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 2bzc n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bzc s THR 82 N -1.50 2.29 0.04 2.61 2.01 -1.26 -0.86 115.64 118.97 2bzc s THR 82 Ca 0.00 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.08 2bzc s THR 82 Cb 0.00 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 2bzc s THR 82 CO 0.00 0.56 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.04 2bzc s TYR 83 N -0.02 1.22 -0.10 4.92 2.02 0.53 -4.98 117.35 120.94 2bzc s TYR 83 Ca -0.07 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 2bzc s TYR 83 Cb -0.15 -0.73 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 2bzc s TYR 83 CO 0.05 0.03 0.03 0.99 -1.57 0.00 0.00 175.55 175.08 2bzc s THR 84 N -0.83 4.51 0.28 -0.71 2.01 -1.26 -0.04 115.64 119.59 2bzc s THR 84 Ca 0.02 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 61.92 2bzc s THR 84 Cb -0.08 -2.92 -0.06 0.00 0.01 0.00 0.00 72.50 69.46 2bzc s THR 84 CO 0.01 0.60 -0.07 0.72 -0.69 0.00 0.00 174.62 175.18 2bzc s PHE 85 N -0.79 1.97 0.16 4.92 -0.12 -0.38 -1.21 117.98 122.52 2bzc s PHE 85 Ca 0.12 -0.66 -0.08 0.00 -0.05 0.00 0.00 56.93 56.26 2bzc s PHE 85 Cb -0.12 -1.10 -0.01 0.00 -0.63 0.00 0.00 43.02 41.17 2bzc s PHE 85 CO 0.02 0.32 0.26 1.52 -0.05 0.00 0.00 175.22 177.29 2bzc s TYR 86 N -2.96 0.44 -0.18 3.49 -0.85 0.36 -1.32 117.35 116.34 2bzc s TYR 86 Ca 0.29 -0.81 -0.17 0.00 -0.52 0.00 0.00 57.07 55.86 2bzc s TYR 86 Cb 0.03 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 2bzc s TYR 86 CO 0.12 -0.69 0.47 0.00 -1.52 0.00 0.00 175.55 173.92 2bzc h THR 88 N 4.98 0.00 -0.76 0.00 2.02 -1.91 0.18 112.91 117.41 2bzc h THR 88 Ca -0.36 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2bzc h THR 88 Cb 1.16 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 2bzc h THR 88 CO 0.74 0.00 0.47 1.55 0.37 0.00 0.00 175.52 178.65 2bzc h PRO 89 N -1.01 1.02 -0.58 6.66 0.13 -1.94 -3.11 132.00 133.17 2bzc h PRO 89 Ca -0.07 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2bzc h PRO 89 Cb 0.87 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2bzc h PRO 89 CO -0.05 0.70 0.00 0.72 -0.23 0.00 0.00 178.00 179.14 2bzc n HIS 90 N -4.40 1.83 -0.16 1.56 8.25 -1.14 -4.64 115.22 116.52 2bzc n HIS 90 Ca 0.08 -0.70 -0.02 0.00 -0.26 0.00 0.00 57.72 56.82 2bzc n HIS 90 Cb 0.05 -0.42 0.06 0.00 1.12 0.00 0.00 29.99 30.81 2bzc n HIS 90 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2bzc h LYS 91 N 3.89 0.13 0.00 -0.41 3.64 -0.58 0.25 116.57 123.49 2bzc h LYS 91 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2bzc h LYS 91 Cb 1.79 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 2bzc h LYS 91 CO 0.40 0.08 0.00 1.03 -2.27 0.00 0.00 179.45 178.69 2bzc h SER 92 N 0.13 0.00 -0.35 4.20 0.87 -1.85 -2.08 113.55 114.47 2bzc h SER 92 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2bzc h SER 92 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2bzc h SER 92 CO -0.41 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 175.89 2bzc n ALA 93 N -1.94 2.71 -1.82 6.23 0.00 0.87 -4.91 120.51 121.65 2bzc n ALA 93 Ca 0.01 -0.77 -0.08 0.00 0.00 0.00 0.00 53.44 52.59 2bzc n ALA 93 Cb 0.24 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 2bzc n ALA 93 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2bzc n ASN 94 N 0.51 -3.34 -4.53 0.00 5.15 -0.78 -4.94 115.26 107.32 2bzc n ASN 94 Ca 0.13 0.07 -0.42 0.00 -0.60 0.00 0.00 54.58 53.77 2bzc n ASN 94 Cb 0.46 -2.25 -0.03 0.00 -0.53 0.00 0.00 39.78 37.44 2bzc n ASN 94 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 2bzc s MET 95 N -3.78 3.41 0.24 1.20 1.75 -1.15 -4.92 119.30 116.04 2bzc s MET 95 Ca 0.00 -0.88 -0.13 0.00 -1.25 0.00 0.00 55.69 53.43 2bzc s MET 95 Cb 0.00 -4.80 -0.00 0.00 2.84 0.00 0.00 34.83 32.86 2bzc s MET 95 CO 0.00 -2.09 0.46 -1.59 -0.65 0.00 0.00 175.02 171.15 2bzc s LYS 96 N 4.85 1.50 0.34 4.11 -2.85 -1.26 -1.74 119.74 124.69 2bzc s LYS 96 Ca 0.38 -1.22 -0.17 0.00 -1.00 0.00 0.00 55.97 53.96 2bzc s LYS 96 Cb -0.05 0.46 0.05 0.00 -2.06 0.00 0.00 37.83 36.24 2bzc s LYS 96 CO 0.00 -0.62 0.81 0.20 0.10 0.00 0.00 175.35 175.84 2bzc s GLY 97 N -3.01 0.26 0.05 0.59 0.00 -0.43 -4.63 107.32 100.15 2bzc s GLY 97 Ca 0.21 -0.62 0.07 0.00 0.00 0.00 0.00 44.72 44.38 2bzc s GLY 97 CO 0.08 0.01 -0.19 -0.51 0.00 0.00 0.00 173.10 172.48 2bzc s THR 98 N -2.55 1.56 -0.15 0.90 -4.23 0.32 -1.25 115.64 110.23 2bzc s THR 98 Ca 0.15 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 2bzc s THR 98 Cb -0.05 -1.37 0.02 0.00 1.34 0.00 0.00 72.50 72.44 2bzc s THR 98 CO 0.10 0.14 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.92 2bzc s LEU 99 N -1.24 1.88 -0.19 4.79 0.20 0.94 -1.78 118.68 123.28 2bzc s LEU 99 Ca 0.06 -0.54 -0.08 0.00 0.69 0.00 0.00 54.13 54.26 2bzc s LEU 99 Cb -0.09 -1.29 -0.04 0.00 -0.43 0.00 0.00 46.19 44.34 2bzc s LEU 99 CO 0.02 -0.01 0.07 -0.89 -0.29 0.00 0.00 176.35 175.26 2bzc s THR 100 N 1.23 4.82 -0.25 3.68 2.01 0.05 -0.35 115.64 126.84 2bzc s THR 100 Ca 0.01 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 2bzc s THR 100 Cb -0.14 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 2bzc s THR 100 CO -0.08 0.45 0.04 -0.69 -0.69 0.00 0.00 174.62 173.64 2bzc s VAL 101 N 0.49 3.98 -2.23 3.82 1.01 -0.04 -0.39 120.40 127.04 2bzc s VAL 101 Ca 0.04 -0.34 0.30 0.00 0.00 0.00 0.00 61.98 61.98 2bzc s VAL 101 Cb -0.13 -2.88 0.75 0.00 0.00 0.00 0.00 36.38 34.13 2bzc s VAL 101 CO 0.01 0.33 2.01 0.29 0.00 0.00 0.00 175.10 177.74