#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2azc s GLN 2 N 0.00 3.00 -0.12 0.54 0.74 -1.26 -5.09 119.66 117.48 2azc s GLN 2 Ca 0.00 -0.84 0.01 0.00 0.05 0.00 0.00 55.36 54.58 2azc s GLN 2 Cb 0.00 -2.53 -0.01 0.00 1.10 0.00 0.00 33.01 31.57 2azc s GLN 2 CO 0.00 -0.14 -0.15 0.42 -0.55 0.00 0.00 175.29 174.86 2azc s ILE 3 N 1.13 2.86 0.66 -2.34 1.01 -1.26 -5.11 121.20 118.14 2azc s ILE 3 Ca 0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 2azc s ILE 3 Cb -0.14 -2.18 0.08 0.00 0.01 0.00 0.00 42.46 40.23 2azc s ILE 3 CO -0.09 0.54 0.92 0.42 0.00 0.00 0.00 174.94 176.72 2azc s THR 4 N 0.25 2.37 -0.18 2.92 -4.23 -1.26 -5.04 115.64 110.48 2azc s THR 4 Ca -0.11 -0.56 0.16 0.00 -1.18 0.00 0.00 61.69 60.01 2azc s THR 4 Cb -0.16 -2.81 0.40 0.00 1.34 0.00 0.00 72.50 71.26 2azc s THR 4 CO 0.06 0.00 1.27 0.18 -0.54 0.00 0.00 174.62 175.59 2azc n LEU 5 N -2.67 3.00 0.09 4.79 4.77 -1.26 -4.61 117.00 121.11 2azc n LEU 5 Ca 0.11 -3.31 0.04 0.00 -0.03 0.00 0.00 56.01 52.81 2azc n LEU 5 Cb 0.60 -0.50 0.43 0.00 -2.33 0.00 0.00 43.42 41.62 2azc n LEU 5 CO 0.45 0.90 1.02 -0.50 -1.33 0.00 0.00 177.39 177.93 2azc h TRP 6 N 0.72 0.33 -2.87 -1.77 4.06 -2.06 -3.43 115.95 110.94 2azc h TRP 6 Ca 0.03 -0.01 -0.46 0.00 2.06 0.00 0.00 58.89 60.50 2azc h TRP 6 Cb 1.19 -0.10 -0.14 0.00 -1.00 0.00 0.00 29.16 29.11 2azc h TRP 6 CO 0.39 0.31 -0.63 -1.59 -3.56 0.00 0.00 178.44 173.36 2azc s LYS 7 N -5.08 1.58 0.23 0.49 -2.85 -1.26 -5.10 119.74 107.75 2azc s LYS 7 Ca -0.07 -1.85 -0.32 0.00 -1.00 0.00 0.00 55.97 52.74 2azc s LYS 7 Cb 0.16 -0.89 -0.13 0.00 -2.06 0.00 0.00 37.83 34.91 2azc s LYS 7 CO 0.73 -0.12 1.46 0.54 0.10 0.00 0.00 175.35 178.05 2azc n ARG 8 N -0.62 2.12 -1.41 1.78 1.74 -1.26 -4.83 116.66 114.17 2azc n ARG 8 Ca -0.03 0.76 -0.41 0.00 -0.77 0.00 0.00 57.85 57.39 2azc n ARG 8 Cb 0.65 -2.44 -0.02 0.00 -1.02 0.00 0.00 32.46 29.63 2azc n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2azc n PRO 9 N 2.30 2.40 -3.15 5.56 -0.04 -1.26 -4.93 135.00 135.88 2azc n PRO 9 Ca 0.12 -2.21 -0.40 0.00 -0.04 0.00 0.00 63.50 60.97 2azc n PRO 9 Cb 0.31 -3.05 -0.06 0.00 -0.04 0.00 0.00 33.50 30.66 2azc n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2azc s LEU 10 N 1.49 4.17 0.31 1.53 1.43 -1.26 -1.46 118.68 124.89 2azc s LEU 10 Ca 0.52 0.83 0.04 0.00 -1.03 0.00 0.00 54.13 54.50 2azc s LEU 10 Cb 0.14 -2.86 -0.06 0.00 0.03 0.00 0.00 46.19 43.44 2azc s LEU 10 CO -0.01 -0.22 0.03 0.68 0.23 0.00 0.00 176.35 177.06 2azc s VAL 11 N 1.66 1.29 0.17 -1.59 -7.23 0.13 -4.89 120.40 109.94 2azc s VAL 11 Ca 0.28 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 58.23 2azc s VAL 11 Cb -0.16 -2.71 -0.08 0.00 0.56 0.00 0.00 36.38 34.00 2azc s VAL 11 CO 0.11 -0.08 0.67 -0.89 -0.31 0.00 0.00 175.10 174.60 2azc s THR 12 N -3.23 4.62 0.09 5.32 2.01 -1.26 -0.87 115.64 122.32 2azc s THR 12 Ca 0.35 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.61 2azc s THR 12 Cb 0.08 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2azc s THR 12 CO 0.14 0.35 -0.02 0.27 -0.69 0.00 0.00 174.62 174.67 2azc s ILE 13 N -1.36 0.38 -0.05 1.82 -4.36 -0.31 -1.14 121.20 116.18 2azc s ILE 13 Ca 0.38 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.90 2azc s ILE 13 Cb -0.18 -1.74 0.02 0.00 1.25 0.00 0.00 42.46 41.81 2azc s ILE 13 CO 0.21 -0.80 -0.08 -0.54 0.24 0.00 0.00 174.94 173.98 2azc s LYS 14 N -3.92 1.13 -0.04 0.37 1.02 0.57 -1.10 119.74 117.76 2azc s LYS 14 Ca 0.14 -0.24 -0.01 0.00 0.02 0.00 0.00 55.97 55.88 2azc s LYS 14 Cb 0.07 -1.02 0.03 0.00 -0.52 0.00 0.00 37.83 36.39 2azc s LYS 14 CO -0.05 -0.01 0.07 -1.50 -0.92 0.00 0.00 175.35 172.94 2azc s ILE 15 N 0.71 -0.08 0.00 2.17 2.07 -0.72 -1.40 121.20 123.95 2azc s ILE 15 Ca -0.11 0.27 0.00 0.00 -1.41 0.00 0.00 60.65 59.39 2azc s ILE 15 Cb -0.14 -0.14 0.00 0.00 0.13 0.00 0.00 42.46 42.31 2azc s ILE 15 CO 0.01 0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.76 2azc n GLY 16 N 4.51 0.81 2.00 1.50 0.00 -1.26 -1.66 105.19 111.09 2azc n GLY 16 Ca -0.21 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 2azc n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2azc n GLY 17 N 0.00 4.72 3.32 -0.02 0.00 -1.26 -4.96 105.19 106.99 2azc n GLY 17 Ca 0.00 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 2azc n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2azc s GLN 18 N -3.33 2.93 -0.02 1.61 -0.21 -0.66 -5.10 119.66 114.87 2azc s GLN 18 Ca 0.55 -0.80 -0.25 0.00 0.02 0.00 0.00 55.36 54.88 2azc s GLN 18 Cb 0.47 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 2azc s GLN 18 CO 0.07 0.32 0.76 -0.51 -2.12 0.00 0.00 175.29 173.81 2azc s LEU 19 N 0.02 4.37 0.19 2.90 1.43 -1.26 -1.76 118.68 124.57 2azc s LEU 19 Ca -0.07 1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 54.36 2azc s LEU 19 Cb -0.15 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2azc s LEU 19 CO 0.05 -0.09 0.08 -0.54 0.23 0.00 0.00 176.35 176.08 2azc s LYS 20 N 0.56 1.17 -0.10 1.70 1.02 -0.26 -5.00 119.74 118.83 2azc s LYS 20 Ca 0.40 -1.60 -0.02 0.00 0.02 0.00 0.00 55.97 54.76 2azc s LYS 20 Cb -0.19 0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.14 2azc s LYS 20 CO 0.21 -0.30 0.01 -2.00 -0.92 0.00 0.00 175.35 172.35 2azc s GLU 21 N -4.07 3.10 -0.02 1.68 2.12 -1.26 -1.16 118.70 119.09 2azc s GLU 21 Ca 0.33 -0.40 -0.13 0.00 0.36 0.00 0.00 54.97 55.13 2azc s GLU 21 Cb 0.07 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.64 2azc s GLU 21 CO 0.09 0.66 0.27 0.00 -0.54 0.00 0.00 175.26 175.74 2azc s ALA 22 N -0.75 -0.69 -0.17 6.30 0.00 -0.05 -4.28 121.76 122.12 2azc s ALA 22 Ca 0.12 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.15 2azc s ALA 22 Cb -0.12 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2azc s ALA 22 CO 0.02 -0.24 0.53 -1.17 0.00 0.00 0.00 175.76 174.90 2azc s LEU 23 N -1.25 4.19 -0.44 0.00 2.96 0.12 -0.69 118.68 123.58 2azc s LEU 23 Ca -0.13 0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 54.26 2azc s LEU 23 Cb -0.06 -2.75 0.02 0.00 0.50 0.00 0.00 46.19 43.90 2azc s LEU 23 CO 0.03 -0.14 1.35 -0.63 -1.32 0.00 0.00 176.35 175.65 2azc s ILE 24 N 1.33 3.96 -0.34 6.68 -1.09 -0.54 -0.41 121.20 130.80 2azc s ILE 24 Ca 0.26 0.97 0.03 0.00 -2.23 0.00 0.00 60.65 59.68 2azc s ILE 24 Cb -0.15 -4.32 0.10 0.00 -1.58 0.00 0.00 42.46 36.50 2azc s ILE 24 CO 0.10 -0.86 0.06 -0.62 -1.23 0.00 0.00 174.94 172.39 2azc s ASP 25 N 3.63 4.67 0.22 3.58 2.15 -0.52 -4.79 116.67 125.61 2azc s ASP 25 Ca 0.57 -2.09 0.22 0.00 0.43 0.00 0.00 52.55 51.68 2azc s ASP 25 Cb -0.12 -1.52 0.93 0.00 -0.30 0.00 0.00 42.92 41.91 2azc s ASP 25 CO 0.32 -0.38 1.66 0.35 -0.17 0.00 0.00 175.17 176.94 2azc n THR 26 N 4.33 0.89 0.60 1.71 -2.24 -1.26 -2.04 114.28 116.28 2azc n THR 26 Ca 0.03 0.28 0.09 0.00 -2.27 0.00 0.00 64.05 62.18 2azc n THR 26 Cb 0.42 -1.19 0.25 0.00 -2.10 0.00 0.00 70.33 67.71 2azc n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2azc n GLY 27 N -0.14 1.13 3.29 3.38 0.00 -1.26 -4.84 105.19 106.76 2azc n GLY 27 Ca 0.02 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 2azc n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2azc s ALA 28 N -1.47 2.85 0.15 4.61 0.00 -0.86 -4.98 121.76 122.05 2azc s ALA 28 Ca 0.34 -1.31 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 2azc s ALA 28 Cb 0.18 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.52 2azc s ALA 28 CO 0.25 -0.64 1.67 -0.44 0.00 0.00 0.00 175.76 176.60 2azc h ASP 29 N 8.12 0.74 -1.91 0.00 3.32 -1.88 -0.95 116.42 123.86 2azc h ASP 29 Ca -0.37 -0.22 -0.56 0.00 0.02 0.00 0.00 57.03 55.90 2azc h ASP 29 Cb 1.14 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 40.40 2azc h ASP 29 CO 0.60 0.76 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.49 2azc s ASP 30 N -6.10 4.44 -0.16 6.45 1.01 -1.26 -2.91 116.67 118.14 2azc s ASP 30 Ca -0.13 -0.88 -0.18 0.00 0.71 0.00 0.00 52.55 52.08 2azc s ASP 30 Cb 0.11 -0.64 -0.04 0.00 1.01 0.00 0.00 42.92 43.37 2azc s ASP 30 CO 0.79 -0.26 0.49 -0.89 0.21 0.00 0.00 175.17 175.50 2azc s THR 31 N -2.47 5.16 -0.15 -1.27 2.01 -1.26 -3.68 115.64 113.97 2azc s THR 31 Ca 0.36 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.29 2azc s THR 31 Cb -0.01 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.71 2azc s THR 31 CO 0.21 0.26 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.59 2azc s VAL 32 N 1.09 1.46 0.16 3.82 1.01 -0.45 0.18 120.40 127.68 2azc s VAL 32 Ca 0.25 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.65 2azc s VAL 32 Cb -0.15 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2azc s VAL 32 CO 0.10 0.37 0.02 -0.76 0.00 0.00 0.00 175.10 174.83 2azc s LEU 33 N 1.52 3.40 0.60 3.92 1.43 0.11 0.34 118.68 130.00 2azc s LEU 33 Ca 0.04 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.61 2azc s LEU 33 Cb -0.14 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2azc s LEU 33 CO -0.10 0.09 1.25 -1.61 0.23 0.00 0.00 176.35 176.22 2azc s GLU 34 N -2.90 2.91 0.02 1.70 2.02 -1.26 -2.90 118.70 118.29 2azc s GLU 34 Ca 0.28 1.94 -0.39 0.00 0.02 0.00 0.00 54.97 56.82 2azc s GLU 34 Cb -0.10 -1.97 -0.19 0.00 0.10 0.00 0.00 34.13 31.98 2azc s GLU 34 CO 0.19 -1.28 1.16 -1.91 0.02 0.00 0.00 175.26 173.44 2azc n GLU 35 N -1.55 0.35 -3.74 1.61 4.07 -1.25 -4.83 120.64 115.30 2azc n GLU 35 Ca 0.14 0.13 -0.05 0.00 -0.06 0.00 0.00 57.16 57.31 2azc n GLU 35 Cb 0.49 -1.67 -0.02 0.00 -0.06 0.00 0.00 31.44 30.18 2azc n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2azc s MET 36 N 0.20 1.32 -0.12 5.31 0.23 -1.26 -5.09 119.30 119.89 2azc s MET 36 Ca 0.89 -0.70 -0.19 0.00 -1.03 0.00 0.00 55.69 54.66 2azc s MET 36 Cb -1.18 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 32.55 2azc s MET 36 CO 0.54 -0.60 0.53 -0.80 -2.03 0.00 0.00 175.02 172.66 2azc s ASN 37 N -2.89 6.73 0.16 -1.18 0.02 -1.26 -5.06 114.94 111.46 2azc s ASN 37 Ca 0.11 0.88 0.07 0.00 -1.02 0.00 0.00 52.86 52.90 2azc s ASN 37 Cb -0.03 -2.31 -0.04 0.00 0.02 0.00 0.00 41.25 38.89 2azc s ASN 37 CO 0.02 -0.04 -0.15 -0.76 0.02 0.00 0.00 177.10 176.18 2azc s LEU 38 N 0.76 2.46 0.42 0.60 1.43 -1.26 -5.10 118.68 118.00 2azc s LEU 38 Ca 0.28 -0.89 -0.13 0.00 -1.03 0.00 0.00 54.13 52.37 2azc s LEU 38 Cb -0.16 -0.65 -0.07 0.00 0.03 0.00 0.00 46.19 45.34 2azc s LEU 38 CO 0.12 -0.13 0.82 -2.16 0.23 0.00 0.00 176.35 175.23 2azc s PRO 39 N -3.02 3.85 0.43 1.29 0.04 -1.26 -5.00 135.00 131.33 2azc s PRO 39 Ca 0.15 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2azc s PRO 39 Cb -0.04 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2azc s PRO 39 CO 0.05 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2azc n GLY 40 N -1.27 -2.17 3.82 0.56 0.00 -1.26 -4.95 105.19 99.91 2azc n GLY 40 Ca 0.04 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 2azc n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2azc s ARG 41 N -0.64 3.27 0.19 1.61 1.70 -1.26 -5.09 118.95 118.73 2azc s ARG 41 Ca 0.00 1.07 0.01 0.00 -0.47 0.00 0.00 55.73 56.34 2azc s ARG 41 Cb 0.00 -2.03 -0.05 0.00 -0.57 0.00 0.00 34.95 32.30 2azc s ARG 41 CO 0.00 -0.84 0.03 1.67 -1.08 0.00 0.00 175.30 175.08 2azc s TRP 42 N -2.71 1.26 0.11 5.89 1.48 -1.26 -4.65 118.94 119.06 2azc s TRP 42 Ca 0.61 -1.08 0.03 0.00 -1.06 0.00 0.00 56.10 54.60 2azc s TRP 42 Cb -0.14 -0.72 -0.04 0.00 -1.16 0.00 0.00 33.47 31.41 2azc s TRP 42 CO 0.43 -0.28 -0.09 -1.59 -4.06 0.00 0.00 176.95 171.37 2azc s LYS 43 N -3.96 0.91 0.53 3.25 -2.85 -0.79 -4.96 119.74 111.87 2azc s LYS 43 Ca 0.28 -1.31 -0.17 0.00 -1.00 0.00 0.00 55.97 53.77 2azc s LYS 43 Cb 0.07 -0.46 -0.07 0.00 -2.06 0.00 0.00 37.83 35.30 2azc s LYS 43 CO 0.06 0.05 1.00 -1.25 0.10 0.00 0.00 175.35 175.31 2azc s PRO 44 N -3.44 3.81 -0.12 1.78 0.04 -1.26 -1.05 135.00 134.76 2azc s PRO 44 Ca 0.11 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 2azc s PRO 44 Cb 0.01 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2azc s PRO 44 CO -0.01 -0.39 0.32 0.21 0.04 0.00 0.00 177.00 177.17 2azc s LYS 45 N -4.01 0.36 -0.21 4.56 2.20 -0.69 -4.82 119.74 117.14 2azc s LYS 45 Ca 0.60 0.46 -0.09 0.00 -0.36 0.00 0.00 55.97 56.58 2azc s LYS 45 Cb -0.11 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.32 2azc s LYS 45 CO 0.31 -0.06 0.12 0.42 -0.36 0.00 0.00 175.35 175.78 2azc s ILE 46 N 0.28 5.14 0.31 5.43 1.01 -1.26 -0.83 121.20 131.27 2azc s ILE 46 Ca -0.01 0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.78 2azc s ILE 46 Cb -0.03 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 2azc s ILE 46 CO -0.01 0.41 0.02 0.27 0.00 0.00 0.00 174.94 175.63 2azc s ILE 47 N 0.67 1.34 0.10 2.92 -4.36 0.49 -4.93 121.20 117.42 2azc s ILE 47 Ca 0.06 -2.04 -0.05 0.00 -0.26 0.00 0.00 60.65 58.37 2azc s ILE 47 Cb -0.12 -2.66 -0.02 0.00 1.25 0.00 0.00 42.46 40.90 2azc s ILE 47 CO 0.01 -0.12 0.11 -0.83 0.24 0.00 0.00 174.94 174.35 2azc s GLY 48 N -3.47 0.47 0.00 6.27 0.00 -1.26 -0.02 107.32 109.31 2azc s GLY 48 Ca 0.34 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.03 2azc s GLY 48 CO 0.14 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 172.76 2azc n GLY 49 N -0.04 3.01 3.75 0.20 0.00 -0.61 -4.99 105.19 106.51 2azc n GLY 49 Ca -0.11 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 2azc n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2azc s ILE 50 N -2.64 3.33 0.00 -0.61 -5.25 -1.26 -2.23 121.20 112.55 2azc s ILE 50 Ca 0.00 1.23 0.00 0.00 -0.99 0.00 0.00 60.65 60.89 2azc s ILE 50 Cb 0.00 -3.78 0.00 0.00 2.95 0.00 0.00 42.46 41.63 2azc s ILE 50 CO 0.00 0.25 0.00 0.61 -1.79 0.00 0.00 174.94 174.01 2azc n GLY 51 N 1.59 1.81 0.00 6.27 0.00 -1.26 -5.03 105.19 108.58 2azc n GLY 51 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2azc n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2azc n GLY 52 N 0.00 0.81 3.95 -0.02 0.00 -0.95 -5.10 105.19 103.89 2azc n GLY 52 Ca 0.00 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 2azc n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2azc s LEU 53 N 0.00 3.28 -0.15 0.99 1.43 -1.26 -1.57 118.68 121.39 2azc s LEU 53 Ca 0.00 0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.14 2azc s LEU 53 Cb 0.00 -3.15 0.10 0.00 0.03 0.00 0.00 46.19 43.16 2azc s LEU 53 CO 0.00 -1.09 0.84 -0.51 0.23 0.00 0.00 176.35 175.82 2azc s ILE 54 N -2.85 0.00 -0.17 -0.59 2.07 0.97 -4.94 121.20 115.69 2azc s ILE 54 Ca 0.55 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.70 2azc s ILE 54 Cb -0.10 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.44 2azc s ILE 54 CO 0.41 0.00 0.12 -0.75 -1.91 0.00 0.00 174.94 172.81 2azc s LYS 55 N -0.74 3.91 0.32 3.50 2.20 -1.26 -0.38 119.74 127.29 2azc s LYS 55 Ca -0.04 -0.22 0.04 0.00 -0.36 0.00 0.00 55.97 55.38 2azc s LYS 55 Cb -0.02 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2azc s LYS 55 CO 0.04 0.44 0.18 0.14 -0.36 0.00 0.00 175.35 175.79 2azc s VAL 56 N -0.06 0.29 -0.09 4.02 -7.23 -0.01 -4.97 120.40 112.34 2azc s VAL 56 Ca 0.09 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.12 2azc s VAL 56 Cb -0.11 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 2azc s VAL 56 CO 0.00 0.00 0.35 -0.13 -0.31 0.00 0.00 175.10 175.01 2azc s ARG 57 N -3.74 4.08 -0.20 4.82 0.52 -0.71 -1.71 118.95 122.01 2azc s ARG 57 Ca 0.35 0.25 -0.03 0.00 -0.52 0.00 0.00 55.73 55.77 2azc s ARG 57 Cb 0.04 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.17 2azc s ARG 57 CO 0.19 0.43 -0.05 -1.14 0.02 0.00 0.00 175.30 174.75 2azc s GLN 58 N -0.18 3.41 -0.08 3.54 0.74 -0.22 -0.23 119.66 126.65 2azc s GLN 58 Ca 0.21 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 55.01 2azc s GLN 58 Cb -0.15 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 30.97 2azc s GLN 58 CO 0.08 -0.11 -0.11 0.71 -0.55 0.00 0.00 175.29 175.31 2azc s TYR 59 N 1.25 2.81 0.28 1.67 1.51 -0.40 -1.89 117.35 122.58 2azc s TYR 59 Ca 0.03 -0.23 0.08 0.00 -1.01 0.00 0.00 57.07 55.93 2azc s TYR 59 Cb -0.14 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 2azc s TYR 59 CO -0.02 0.12 0.19 -0.51 -1.11 0.00 0.00 175.55 174.22 2azc s ASP 60 N -0.42 5.28 -1.12 2.29 1.01 -1.26 -1.57 116.67 120.88 2azc s ASP 60 Ca 0.05 -0.40 -0.24 0.00 0.71 0.00 0.00 52.55 52.68 2azc s ASP 60 Cb -0.12 -1.18 0.01 0.00 1.01 0.00 0.00 42.92 42.64 2azc s ASP 60 CO 0.02 -0.13 0.73 0.00 0.21 0.00 0.00 175.17 176.00 2azc n GLN 61 N -1.19 -0.86 -3.96 8.23 6.02 -1.22 -4.89 117.38 119.51 2azc n GLN 61 Ca -0.06 0.38 -0.35 0.00 -0.01 0.00 0.00 57.00 56.96 2azc n GLN 61 Cb 0.59 -3.34 -0.13 0.00 1.02 0.00 0.00 30.24 28.38 2azc n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2azc s ILE 62 N -3.42 3.86 0.28 5.09 -1.09 -0.62 -4.78 121.20 120.52 2azc s ILE 62 Ca 0.41 -0.34 -0.29 0.00 -2.23 0.00 0.00 60.65 58.21 2azc s ILE 62 Cb -0.19 -2.76 -0.09 0.00 -1.58 0.00 0.00 42.46 37.84 2azc s ILE 62 CO 0.91 0.41 1.16 -2.84 -1.23 0.00 0.00 174.94 173.35 2azc s PRO 63 N 1.27 4.55 -0.05 2.79 0.02 -1.26 -2.34 135.00 139.98 2azc s PRO 63 Ca 0.04 1.91 -0.19 0.00 0.02 0.00 0.00 61.00 62.78 2azc s PRO 63 Cb -0.15 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.24 2azc s PRO 63 CO 0.01 0.07 0.43 -1.50 -0.33 0.00 0.00 177.00 175.68 2azc s ILE 64 N -0.97 0.03 -0.10 2.83 2.07 -0.18 -4.65 121.20 120.24 2azc s ILE 64 Ca 0.47 -0.26 0.04 0.00 -1.41 0.00 0.00 60.65 59.48 2azc s ILE 64 Cb -0.34 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.54 2azc s ILE 64 CO 0.43 -0.14 -0.23 -0.70 -1.91 0.00 0.00 174.94 172.38 2azc s GLU 65 N -0.98 2.99 -0.26 3.50 2.12 -0.49 -0.16 118.70 125.41 2azc s GLU 65 Ca -0.10 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 54.39 2azc s GLU 65 Cb -0.04 -2.26 0.06 0.00 0.26 0.00 0.00 34.13 32.15 2azc s GLU 65 CO 0.05 0.17 -0.10 0.42 -0.54 0.00 0.00 175.26 175.26 2azc s ILE 66 N 0.37 2.29 -1.44 -3.70 1.01 0.22 -0.31 121.20 119.63 2azc s ILE 66 Ca -0.18 -1.56 -0.11 0.00 0.00 0.00 0.00 60.65 58.80 2azc s ILE 66 Cb -0.18 -2.32 0.07 0.00 0.01 0.00 0.00 42.46 40.04 2azc s ILE 66 CO 0.08 -0.00 0.70 0.00 0.00 0.00 0.00 174.94 175.72 2azc n GLY 68 N -1.43 0.69 3.32 0.00 0.00 -1.26 -5.02 105.19 101.48 2azc n GLY 68 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2azc n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2azc s HIS 69 N -2.35 2.93 0.24 1.61 4.02 -0.28 -5.10 115.29 116.36 2azc s HIS 69 Ca 0.00 -0.89 -0.30 0.00 1.02 0.00 0.00 55.06 54.89 2azc s HIS 69 Cb 0.00 -2.05 -0.09 0.00 -1.02 0.00 0.00 32.58 29.42 2azc s HIS 69 CO 0.00 -0.48 0.97 0.15 1.02 0.00 0.00 174.74 176.40 2azc s LYS 70 N 1.22 4.81 0.13 1.40 1.02 -1.26 -0.61 119.74 126.45 2azc s LYS 70 Ca 0.03 1.55 -0.05 0.00 0.02 0.00 0.00 55.97 57.51 2azc s LYS 70 Cb -0.14 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2azc s LYS 70 CO -0.02 0.45 0.16 0.00 -0.92 0.00 0.00 175.35 175.02 2azc s ALA 71 N -1.12 0.33 -0.08 5.17 0.00 0.77 -4.83 121.76 122.00 2azc s ALA 71 Ca 0.42 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 2azc s ALA 71 Cb -0.27 0.76 0.04 0.00 0.00 0.00 0.00 23.12 23.65 2azc s ALA 71 CO 0.34 -0.54 0.19 0.42 0.00 0.00 0.00 175.76 176.16 2azc s ILE 72 N -3.98 -0.05 -0.63 0.00 1.01 -1.26 -1.01 121.20 115.29 2azc s ILE 72 Ca 0.17 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.99 2azc s ILE 72 Cb 0.05 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.22 2azc s ILE 72 CO -0.02 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2azc n GLY 73 N 4.23 -1.27 3.76 6.18 0.00 -0.99 -4.83 105.19 112.26 2azc n GLY 73 Ca -0.26 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 2azc n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2azc s THR 74 N -2.75 3.36 -0.06 2.61 2.01 -1.26 -1.59 115.64 117.96 2azc s THR 74 Ca 0.00 1.34 0.03 0.00 0.31 0.00 0.00 61.69 63.37 2azc s THR 74 Cb 0.00 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2azc s THR 74 CO 0.00 0.31 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.42 2azc s VAL 75 N -1.02 1.14 0.04 3.82 1.01 -0.61 -4.39 120.40 120.40 2azc s VAL 75 Ca 0.46 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2azc s VAL 75 Cb -0.33 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2azc s VAL 75 CO 0.43 0.35 0.03 -0.76 0.00 0.00 0.00 175.10 175.14 2azc s LEU 76 N 0.48 3.60 -0.09 3.92 1.43 0.13 -1.28 118.68 126.88 2azc s LEU 76 Ca -0.11 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 2azc s LEU 76 Cb -0.14 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 2azc s LEU 76 CO 0.03 0.23 -0.23 -0.63 0.23 0.00 0.00 176.35 175.98 2azc s ILE 77 N -1.22 1.96 0.17 -0.59 -1.09 0.68 0.04 121.20 121.15 2azc s ILE 77 Ca 0.24 -0.97 -0.20 0.00 -2.23 0.00 0.00 60.65 57.49 2azc s ILE 77 Cb -0.12 -1.69 0.07 0.00 -1.58 0.00 0.00 42.46 39.14 2azc s ILE 77 CO 0.15 0.54 0.94 0.61 -1.23 0.00 0.00 174.94 175.95 2azc n GLY 78 N 3.41 0.66 2.34 6.18 0.00 -1.14 -1.74 105.19 114.90 2azc n GLY 78 Ca -0.19 -1.13 -0.17 0.00 0.00 0.00 0.00 46.02 44.53 2azc n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2azc n PRO 79 N -0.66 1.90 -3.26 1.61 -0.04 -1.26 -3.75 135.00 129.55 2azc n PRO 79 Ca -0.02 -1.14 -0.36 0.00 -0.04 0.00 0.00 63.50 61.94 2azc n PRO 79 Cb 0.53 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.76 2azc n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2azc s THR 80 N 2.35 4.74 -1.26 0.52 -1.32 -1.26 -4.97 115.64 114.44 2azc s THR 80 Ca 0.46 1.02 0.19 0.00 -1.21 0.00 0.00 61.69 62.15 2azc s THR 80 Cb 0.17 -3.79 0.27 0.00 -1.51 0.00 0.00 72.50 67.64 2azc s THR 80 CO -0.02 0.24 1.61 -0.81 -2.21 0.00 0.00 174.62 173.43 2azc n PRO 81 N 0.80 0.17 -3.47 7.08 -0.04 -1.26 -4.71 135.00 133.57 2azc n PRO 81 Ca -0.04 0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 2azc n PRO 81 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 2azc n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2azc s ALA 82 N -2.74 -1.68 0.05 0.55 0.00 -1.26 -5.10 121.76 111.58 2azc s ALA 82 Ca 0.15 0.86 -0.31 0.00 0.00 0.00 0.00 51.96 52.67 2azc s ALA 82 Cb 0.13 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.68 2azc s ALA 82 CO 0.32 -0.60 1.28 -0.80 0.00 0.00 0.00 175.76 175.96 2azc s ASN 83 N -2.08 6.97 -0.15 0.00 0.01 -1.26 -4.50 114.94 113.93 2azc s ASN 83 Ca -0.04 2.08 0.01 0.00 -0.71 0.00 0.00 52.86 54.21 2azc s ASN 83 Cb -0.01 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2azc s ASN 83 CO -0.03 -0.58 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.16 2azc s ILE 84 N 1.48 2.37 -0.32 0.60 1.01 0.15 0.13 121.20 126.62 2azc s ILE 84 Ca 0.61 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 2azc s ILE 84 Cb -0.31 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2azc s ILE 84 CO 0.28 0.53 0.27 -0.63 0.00 0.00 0.00 174.94 175.39 2azc s ILE 85 N 0.79 5.25 0.61 2.92 -1.09 0.45 -1.34 121.20 128.80 2azc s ILE 85 Ca -0.07 0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.43 2azc s ILE 85 Cb -0.16 -3.69 0.11 0.00 -1.58 0.00 0.00 42.46 37.14 2azc s ILE 85 CO -0.00 0.05 0.84 0.61 -1.23 0.00 0.00 174.94 175.21 2azc n GLY 86 N 5.02 1.52 0.31 6.18 0.00 -1.24 -1.43 105.19 115.55 2azc n GLY 86 Ca -0.12 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 43.87 2azc n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2azc h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -1.17 -1.04 114.38 116.86 2azc h ARG 87 Ca -0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 2azc h ARG 87 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 2azc h ARG 87 CO 0.37 0.00 -0.07 -2.95 -1.07 0.00 0.00 179.97 176.24 2azc h ASN 88 N 0.00 0.00 0.00 7.04 7.08 -1.80 -1.97 115.58 125.93 2azc h ASN 88 Ca 0.09 0.00 -0.27 0.00 -3.08 0.00 0.00 56.30 53.03 2azc h ASN 88 Cb 0.36 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.55 2azc h ASN 88 CO -0.00 0.07 -2.03 0.18 -2.08 0.00 0.00 177.43 173.57 2azc n LEU 89 N -3.85 0.01 -0.35 6.14 4.77 -0.79 -4.38 117.00 118.55 2azc n LEU 89 Ca -0.02 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 2azc n LEU 89 Cb 0.17 0.37 0.09 0.00 -2.33 0.00 0.00 43.42 41.72 2azc n LEU 89 CO 0.30 0.37 1.21 -0.07 -1.33 0.00 0.00 177.39 177.87 2azc h LEU 90 N 0.00 1.13 -1.09 2.23 3.38 -0.97 -1.74 115.31 118.25 2azc h LEU 90 Ca -0.41 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 2azc h LEU 90 Cb 1.93 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 42.36 2azc h LEU 90 CO 0.02 0.89 0.23 0.71 0.09 0.00 0.00 178.44 180.38 2azc h THR 91 N 1.29 1.22 -0.03 0.22 1.35 -1.59 -1.60 112.91 113.76 2azc h THR 91 Ca 0.33 -0.69 0.01 0.00 -0.55 0.00 0.00 66.41 65.51 2azc h THR 91 Cb -0.02 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 66.90 2azc h THR 91 CO -0.06 0.27 0.02 1.56 -0.25 0.00 0.00 175.52 177.07 2azc h GLN 92 N 0.87 0.01 -0.59 4.72 4.20 -1.52 -1.06 115.11 121.74 2azc h GLN 92 Ca 0.20 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2azc h GLN 92 Cb 0.18 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2azc h GLN 92 CO -0.02 0.01 0.00 0.44 -0.67 0.00 0.00 178.83 178.59 2azc n ILE 93 N -4.53 1.47 -2.62 2.54 -5.35 -0.85 -4.95 119.36 105.06 2azc n ILE 93 Ca -0.02 -1.15 -0.16 0.00 -0.27 0.00 0.00 62.75 61.14 2azc n ILE 93 Cb 0.11 0.28 0.01 0.00 -1.74 0.00 0.00 39.64 38.31 2azc n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2azc n GLY 94 N 1.06 -0.21 3.72 3.28 0.00 -0.40 -4.98 105.19 107.65 2azc n GLY 94 Ca 0.23 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2azc n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2azc s THR 96 N 0.28 0.44 -0.12 0.00 -4.23 -1.26 -4.70 115.64 106.06 2azc s THR 96 Ca 0.49 -1.92 -0.07 0.00 -1.18 0.00 0.00 61.69 59.00 2azc s THR 96 Cb -0.24 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.65 2azc s THR 96 CO 0.30 -0.63 0.15 -0.76 -0.54 0.00 0.00 174.62 173.13 2azc s LEU 97 N -3.07 4.39 -0.04 4.79 1.43 -1.26 -5.09 118.68 119.83 2azc s LEU 97 Ca 0.19 0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 53.69 2azc s LEU 97 Cb 0.07 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2azc s LEU 97 CO -0.01 0.41 0.20 0.20 0.23 0.00 0.00 176.35 177.38 2azc s ASN 98 N -1.03 -0.13 0.00 2.29 -0.87 -1.26 -5.30 114.94 108.65 2azc s ASN 98 Ca 0.15 0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.61 2azc s ASN 98 Cb -0.12 0.34 0.00 0.00 -0.02 0.00 0.00 41.25 41.45 2azc s ASN 98 CO 0.04 -0.22 0.00 2.22 -2.57 0.00 0.00 177.10 176.57