#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zbg s GLN 2 N 0.00 2.58 -0.16 -0.52 0.74 -1.26 -5.13 119.66 115.91 1zbg s GLN 2 Ca 0.00 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.72 1zbg s GLN 2 Cb 0.00 -2.14 0.00 0.00 1.10 0.00 0.00 33.01 31.97 1zbg s GLN 2 CO 0.00 -0.05 -0.16 0.42 -0.55 0.00 0.00 175.29 174.95 1zbg s ILE 3 N 0.95 2.56 0.67 -2.34 1.01 -1.26 -5.11 121.20 117.67 1zbg s ILE 3 Ca -0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 1zbg s ILE 3 Cb -0.15 -2.08 0.07 0.00 0.01 0.00 0.00 42.46 40.31 1zbg s ILE 3 CO -0.02 0.52 0.94 0.42 0.00 0.00 0.00 174.94 176.80 1zbg s THR 4 N 0.93 2.38 -0.15 2.92 -4.23 -1.26 -5.03 115.64 111.20 1zbg s THR 4 Ca -0.03 -0.43 0.17 0.00 -1.18 0.00 0.00 61.69 60.22 1zbg s THR 4 Cb -0.15 -2.95 0.32 0.00 1.34 0.00 0.00 72.50 71.07 1zbg s THR 4 CO -0.02 0.00 1.17 0.18 -0.54 0.00 0.00 174.62 175.41 1zbg n LEU 5 N -2.75 2.46 0.05 4.79 4.77 -1.26 -4.62 117.00 120.44 1zbg n LEU 5 Ca 0.09 -3.24 0.03 0.00 -0.03 0.00 0.00 56.01 52.86 1zbg n LEU 5 Cb 0.60 -0.45 0.41 0.00 -2.33 0.00 0.00 43.42 41.65 1zbg n LEU 5 CO 0.48 0.84 1.06 -0.50 -1.33 0.00 0.00 177.39 177.94 1zbg h TRP 6 N 0.23 0.42 -2.52 -1.77 4.06 -2.06 -3.43 115.95 110.88 1zbg h TRP 6 Ca 0.00 -0.01 -0.51 0.00 2.06 0.00 0.00 58.89 60.43 1zbg h TRP 6 Cb 1.01 -0.14 -0.14 0.00 -1.00 0.00 0.00 29.16 28.90 1zbg h TRP 6 CO 0.16 0.34 -0.64 1.14 -3.56 0.00 0.00 178.44 175.88 1zbg s GLN 7 N -5.22 1.67 0.21 0.49 -2.07 -1.26 -5.12 119.66 108.37 1zbg s GLN 7 Ca -0.07 -1.90 -0.32 0.00 -1.82 0.00 0.00 55.36 51.25 1zbg s GLN 7 Cb 0.17 -1.15 -0.14 0.00 -1.09 0.00 0.00 33.01 30.80 1zbg s GLN 7 CO 0.73 -0.06 1.47 0.54 -1.32 0.00 0.00 175.29 176.65 1zbg n ARG 8 N -0.70 2.07 -1.24 9.60 1.74 -1.26 -4.85 116.66 122.03 1zbg n ARG 8 Ca -0.04 0.74 -0.37 0.00 -0.77 0.00 0.00 57.85 57.41 1zbg n ARG 8 Cb 0.65 -2.44 -0.03 0.00 -1.02 0.00 0.00 32.46 29.63 1zbg n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1zbg n PRO 9 N 2.49 2.32 -3.03 5.56 -0.04 -1.26 -4.93 135.00 136.11 1zbg n PRO 9 Ca 0.13 -2.01 -0.40 0.00 -0.04 0.00 0.00 63.50 61.19 1zbg n PRO 9 Cb 0.30 -2.89 -0.05 0.00 -0.04 0.00 0.00 33.50 30.82 1zbg n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1zbg s LEU 10 N 1.06 4.44 0.05 1.53 1.02 -1.26 -1.40 118.68 124.12 1zbg s LEU 10 Ca 0.52 1.38 0.03 0.00 0.02 0.00 0.00 54.13 56.09 1zbg s LEU 10 Cb 0.14 -3.16 -0.03 0.00 0.02 0.00 0.00 46.19 43.16 1zbg s LEU 10 CO 0.00 0.04 -0.10 0.54 0.02 0.00 0.00 176.35 176.85 1zbg s VAL 11 N -0.09 0.73 0.06 -1.59 0.11 -0.21 -4.96 120.40 114.45 1zbg s VAL 11 Ca 0.37 -1.16 -0.30 0.00 -2.93 0.00 0.00 61.98 57.96 1zbg s VAL 11 Cb -0.20 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 1zbg s VAL 11 CO 0.22 -0.33 1.01 -0.89 -3.33 0.00 0.00 175.10 171.78 1zbg s THR 12 N -1.35 4.55 0.39 5.04 2.01 -1.26 -1.72 115.64 123.30 1zbg s THR 12 Ca -0.07 1.95 0.07 0.00 0.31 0.00 0.00 61.69 63.95 1zbg s THR 12 Cb -0.10 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.09 1zbg s THR 12 CO 0.01 0.22 -0.01 0.27 -0.69 0.00 0.00 174.62 174.42 1zbg s ILE 13 N 0.57 2.04 -0.07 1.82 -4.36 0.38 -4.75 121.20 116.81 1zbg s ILE 13 Ca 0.51 -2.04 -0.01 0.00 -0.26 0.00 0.00 60.65 58.84 1zbg s ILE 13 Cb -0.24 -2.92 0.03 0.00 1.25 0.00 0.00 42.46 40.58 1zbg s ILE 13 CO 0.29 -0.04 -0.01 -0.75 0.24 0.00 0.00 174.94 174.67 1zbg s LYS 14 N -3.69 0.70 -0.07 0.37 2.20 -0.26 -1.28 119.74 117.70 1zbg s LYS 14 Ca 0.34 0.06 0.03 0.00 -0.36 0.00 0.00 55.97 56.04 1zbg s LYS 14 Cb 0.08 -1.00 0.01 0.00 -1.51 0.00 0.00 37.83 35.41 1zbg s LYS 14 CO 0.18 -0.28 -0.15 0.42 -0.36 0.00 0.00 175.35 175.16 1zbg s ILE 15 N 1.83 1.38 -1.56 5.43 1.01 -0.27 -1.05 121.20 127.97 1zbg s ILE 15 Ca 0.03 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 1zbg s ILE 15 Cb -0.12 -1.23 0.07 0.00 0.01 0.00 0.00 42.46 41.18 1zbg s ILE 15 CO -0.05 0.41 0.50 0.61 0.00 0.00 0.00 174.94 176.41 1zbg n GLY 16 N 3.69 -0.30 3.74 6.18 0.00 -1.26 -0.29 105.19 116.96 1zbg n GLY 16 Ca -0.22 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1zbg n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zbg n GLY 17 N -1.82 2.54 3.69 -0.02 0.00 -1.26 -4.99 105.19 103.33 1zbg n GLY 17 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1zbg n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1zbg s GLN 18 N 0.00 4.37 0.17 1.61 -0.21 0.61 -5.05 119.66 121.16 1zbg s GLN 18 Ca 0.00 1.03 -0.30 0.00 0.02 0.00 0.00 55.36 56.11 1zbg s GLN 18 Cb 0.00 -3.52 -0.07 0.00 1.00 0.00 0.00 33.01 30.41 1zbg s GLN 18 CO 0.00 -0.18 1.14 -0.51 -2.12 0.00 0.00 175.29 173.62 1zbg s LEU 19 N 1.60 4.46 0.36 2.90 1.43 -1.26 -1.12 118.68 127.05 1zbg s LEU 19 Ca 0.40 2.12 -0.06 0.00 -1.03 0.00 0.00 54.13 55.56 1zbg s LEU 19 Cb -0.17 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1zbg s LEU 19 CO 0.16 -0.29 0.56 -1.59 0.23 0.00 0.00 176.35 175.42 1zbg s LYS 20 N -0.18 2.02 -0.07 1.70 -2.85 -0.40 -4.99 119.74 114.96 1zbg s LYS 20 Ca 0.51 -1.70 0.04 0.00 -1.00 0.00 0.00 55.97 53.83 1zbg s LYS 20 Cb -0.30 0.49 -0.02 0.00 -2.06 0.00 0.00 37.83 35.94 1zbg s LYS 20 CO 0.35 -0.87 -0.19 -2.00 0.10 0.00 0.00 175.35 172.74 1zbg s GLU 21 N -2.81 2.76 0.01 1.78 2.12 -1.26 -0.47 118.70 120.82 1zbg s GLU 21 Ca 0.27 -0.79 -0.06 0.00 0.36 0.00 0.00 54.97 54.74 1zbg s GLU 21 Cb -0.02 -2.34 -0.00 0.00 0.26 0.00 0.00 34.13 32.03 1zbg s GLU 21 CO 0.18 0.40 0.11 0.00 -0.54 0.00 0.00 175.26 175.42 1zbg s ALA 22 N -0.17 -0.26 -0.19 6.30 0.00 -0.70 -4.25 121.76 122.48 1zbg s ALA 22 Ca -0.02 -0.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 1zbg s ALA 22 Cb -0.14 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1zbg s ALA 22 CO 0.03 -0.21 0.41 -1.17 0.00 0.00 0.00 175.76 174.82 1zbg s LEU 23 N -1.45 4.17 -0.26 0.00 2.96 0.11 -1.05 118.68 123.16 1zbg s LEU 23 Ca -0.14 0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 1zbg s LEU 23 Cb -0.08 -2.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1zbg s LEU 23 CO 0.01 -0.07 1.50 -0.76 -1.32 0.00 0.00 176.35 175.71 1zbg s LEU 24 N 1.24 3.87 -0.30 -0.68 1.02 -0.49 -0.57 118.68 122.76 1zbg s LEU 24 Ca 0.20 1.43 0.00 0.00 0.02 0.00 0.00 54.13 55.78 1zbg s LEU 24 Cb -0.15 -3.54 0.09 0.00 0.02 0.00 0.00 46.19 42.62 1zbg s LEU 24 CO 0.08 -1.21 0.07 -0.62 0.02 0.00 0.00 176.35 174.69 1zbg s ASP 25 N 3.73 4.13 0.41 2.29 -1.08 -0.43 -4.81 116.67 120.92 1zbg s ASP 25 Ca 0.66 -1.67 0.28 0.00 -0.52 0.00 0.00 52.55 51.29 1zbg s ASP 25 Cb -0.21 -1.07 0.95 0.00 -1.46 0.00 0.00 42.92 41.13 1zbg s ASP 25 CO 0.27 -0.38 1.80 0.71 0.52 0.00 0.00 175.17 178.09 1zbg h THR 26 N 6.54 0.00 -0.01 1.71 1.35 -1.95 -1.89 112.91 118.67 1zbg h THR 26 Ca -0.12 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1zbg h THR 26 Cb 1.03 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1zbg h THR 26 CO 0.47 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 176.31 1zbg n GLY 27 N 0.48 -0.65 3.57 5.82 0.00 -1.26 -4.82 105.19 108.33 1zbg n GLY 27 Ca 0.03 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1zbg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zbg s ALA 28 N -2.16 3.53 0.31 4.61 0.00 -0.71 -4.96 121.76 122.38 1zbg s ALA 28 Ca 0.38 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 51.26 1zbg s ALA 28 Cb 0.21 -2.57 0.52 0.00 0.00 0.00 0.00 23.12 21.28 1zbg s ALA 28 CO 0.39 -0.70 1.78 -0.44 0.00 0.00 0.00 175.76 176.80 1zbg h ASP 29 N 8.38 0.40 -3.18 0.00 3.32 -1.87 0.41 116.42 123.87 1zbg h ASP 29 Ca -0.33 -0.12 -0.46 0.00 0.02 0.00 0.00 57.03 56.14 1zbg h ASP 29 Cb 1.18 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.47 1zbg h ASP 29 CO 0.59 0.62 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.18 1zbg s ASP 30 N -6.82 2.62 -0.18 6.45 1.01 -1.26 -2.98 116.67 115.50 1zbg s ASP 30 Ca -0.06 -1.01 -0.19 0.00 0.71 0.00 0.00 52.55 52.00 1zbg s ASP 30 Cb 0.14 -0.14 -0.03 0.00 1.01 0.00 0.00 42.92 43.90 1zbg s ASP 30 CO 0.77 -0.15 0.53 -0.89 0.21 0.00 0.00 175.17 175.64 1zbg s THR 31 N -2.90 5.10 -0.11 -1.27 2.01 -1.26 -3.74 115.64 113.48 1zbg s THR 31 Ca 0.22 1.00 0.03 0.00 0.31 0.00 0.00 61.69 63.25 1zbg s THR 31 Cb -0.01 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.65 1zbg s THR 31 CO 0.07 0.19 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.31 1zbg s VAL 32 N 1.51 1.79 0.09 3.82 1.01 -0.59 -0.87 120.40 127.16 1zbg s VAL 32 Ca 0.25 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.49 1zbg s VAL 32 Cb -0.15 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1zbg s VAL 32 CO 0.10 0.50 -0.26 -0.76 0.00 0.00 0.00 175.10 174.68 1zbg s LEU 33 N 0.65 2.25 1.01 3.92 1.43 0.21 -0.37 118.68 127.79 1zbg s LEU 33 Ca -0.13 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.17 1zbg s LEU 33 Cb -0.16 -1.18 0.10 0.00 0.03 0.00 0.00 46.19 44.98 1zbg s LEU 33 CO 0.03 0.19 0.53 -0.62 0.23 0.00 0.00 176.35 176.71 1zbg n GLU 34 N 1.30 -0.88 -1.70 1.70 1.02 -1.26 -2.15 120.64 118.67 1zbg n GLU 34 Ca -0.18 -0.22 -0.44 0.00 -0.02 0.00 0.00 57.16 56.31 1zbg n GLU 34 Cb 0.53 -1.96 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 1zbg n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1zbg n GLU 35 N -2.66 2.44 -3.65 3.49 4.07 -1.26 -4.76 120.64 118.30 1zbg n GLU 35 Ca 0.06 0.88 -0.03 0.00 -0.06 0.00 0.00 57.16 58.01 1zbg n GLU 35 Cb 0.55 -2.67 -0.01 0.00 -0.06 0.00 0.00 31.44 29.25 1zbg n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1zbg s MET 36 N 0.79 0.81 -0.21 5.31 0.23 -1.26 -5.14 119.30 119.82 1zbg s MET 36 Ca 0.75 -0.41 -0.24 0.00 -1.03 0.00 0.00 55.69 54.76 1zbg s MET 36 Cb -0.59 0.30 -0.01 0.00 -1.53 0.00 0.00 34.83 32.99 1zbg s MET 36 CO 0.37 -0.37 0.79 -1.12 -2.03 0.00 0.00 175.02 172.67 1zbg s SER 37 N -2.78 6.84 0.08 -1.18 0.01 -1.26 -5.04 113.70 110.37 1zbg s SER 37 Ca 0.11 1.04 0.09 0.00 1.31 0.00 0.00 55.95 58.50 1zbg s SER 37 Cb 0.00 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1zbg s SER 37 CO -0.02 -0.43 -0.21 -0.76 0.41 0.00 0.00 173.24 172.23 1zbg s LEU 38 N 2.41 2.50 0.57 2.44 1.02 -1.26 -5.01 118.68 121.36 1zbg s LEU 38 Ca 0.35 -0.55 -0.19 0.00 0.02 0.00 0.00 54.13 53.75 1zbg s LEU 38 Cb -0.16 -1.43 -0.05 0.00 0.02 0.00 0.00 46.19 44.58 1zbg s LEU 38 CO 0.10 0.22 1.16 -2.16 0.02 0.00 0.00 176.35 175.69 1zbg s PRO 39 N -1.73 3.16 2.38 1.29 0.04 -1.26 -4.95 135.00 133.94 1zbg s PRO 39 Ca 0.15 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1zbg s PRO 39 Cb -0.10 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1zbg s PRO 39 CO 0.06 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1zbg n GLY 40 N 0.26 -0.96 3.75 0.56 0.00 -1.26 -4.95 105.19 102.59 1zbg n GLY 40 Ca 0.12 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 1zbg n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1zbg s ARG 41 N 0.00 2.67 0.11 1.61 0.52 -1.26 -5.12 118.95 117.48 1zbg s ARG 41 Ca 0.00 -1.11 0.06 0.00 -0.52 0.00 0.00 55.73 54.15 1zbg s ARG 41 Cb 0.00 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1zbg s ARG 41 CO 0.00 0.42 -0.14 1.67 0.02 0.00 0.00 175.30 177.27 1zbg s TRP 42 N -2.03 1.34 0.29 -0.53 1.48 -1.26 -4.59 118.94 113.64 1zbg s TRP 42 Ca 0.31 -0.55 0.10 0.00 -1.06 0.00 0.00 56.10 54.90 1zbg s TRP 42 Cb -0.08 -0.71 -0.06 0.00 -1.16 0.00 0.00 33.47 31.46 1zbg s TRP 42 CO 0.22 0.11 -0.14 -1.59 -4.06 0.00 0.00 176.95 171.50 1zbg s LYS 43 N -2.52 1.65 0.28 3.25 -2.85 -0.70 -4.89 119.74 113.96 1zbg s LYS 43 Ca 0.07 -1.80 -0.19 0.00 -1.00 0.00 0.00 55.97 53.06 1zbg s LYS 43 Cb -0.06 -1.55 -0.09 0.00 -2.06 0.00 0.00 37.83 34.08 1zbg s LYS 43 CO 0.03 0.20 0.76 -1.25 0.10 0.00 0.00 175.35 175.19 1zbg s PRO 44 N -3.60 4.19 -0.07 1.78 0.04 -1.26 -0.43 135.00 135.66 1zbg s PRO 44 Ca 0.30 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 1zbg s PRO 44 Cb -0.01 -2.67 0.03 0.00 0.04 0.00 0.00 34.50 31.88 1zbg s PRO 44 CO 0.14 0.28 0.31 0.21 0.04 0.00 0.00 177.00 177.97 1zbg s LYS 45 N -2.41 0.52 -0.03 4.56 2.20 -1.05 -4.90 119.74 118.62 1zbg s LYS 45 Ca 0.49 0.11 0.04 0.00 -0.36 0.00 0.00 55.97 56.25 1zbg s LYS 45 Cb -0.14 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1zbg s LYS 45 CO 0.19 -0.11 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.28 1zbg s MET 46 N -0.61 2.42 0.06 4.03 -1.94 -1.26 -0.43 119.30 121.57 1zbg s MET 46 Ca -0.07 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.17 1zbg s MET 46 Cb -0.04 -2.33 -0.03 0.00 2.01 0.00 0.00 34.83 34.44 1zbg s MET 46 CO 0.02 0.61 -0.06 0.96 -0.01 0.00 0.00 175.02 176.54 1zbg s ILE 47 N -0.76 0.51 -0.09 2.53 -4.36 -0.84 -4.99 121.20 113.21 1zbg s ILE 47 Ca 0.12 -1.46 -0.02 0.00 -0.26 0.00 0.00 60.65 59.03 1zbg s ILE 47 Cb -0.11 -1.07 -0.03 0.00 1.25 0.00 0.00 42.46 42.50 1zbg s ILE 47 CO 0.01 -0.65 0.01 -0.83 0.24 0.00 0.00 174.94 173.73 1zbg s GLY 48 N -2.26 1.88 0.12 6.27 0.00 -1.26 -1.48 107.32 110.58 1zbg s GLY 48 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1zbg s GLY 48 CO -0.03 -0.56 0.01 0.61 0.00 0.00 0.00 173.10 173.13 1zbg n GLY 49 N 2.11 3.99 0.37 0.20 0.00 -0.13 -4.99 105.19 106.74 1zbg n GLY 49 Ca -0.19 -2.15 0.06 0.00 0.00 0.00 0.00 46.02 43.75 1zbg n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1zbg h ILE 50 N 1.10 0.96 0.00 -0.61 6.09 -2.02 -2.20 117.51 120.83 1zbg h ILE 50 Ca -0.09 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1zbg h ILE 50 Cb 0.31 -0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.44 1zbg h ILE 50 CO 0.15 0.19 -0.05 0.61 -3.07 0.00 0.00 178.15 175.98 1zbg n GLY 51 N -1.36 -1.66 0.00 8.18 0.00 -1.26 -5.05 105.19 104.04 1zbg n GLY 51 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1zbg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zbg n GLY 52 N 1.33 0.69 3.86 -0.02 0.00 -0.83 -5.11 105.19 105.12 1zbg n GLY 52 Ca 0.06 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1zbg n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1zbg s PHE 53 N -1.27 3.51 0.09 1.61 0.40 -1.26 -0.95 117.98 120.10 1zbg s PHE 53 Ca 0.00 0.97 0.03 0.00 -0.60 0.00 0.00 56.93 57.33 1zbg s PHE 53 Cb 0.00 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1zbg s PHE 53 CO 0.00 0.34 -0.08 0.96 0.70 0.00 0.00 175.22 177.14 1zbg s ILE 54 N -1.65 0.79 -0.02 0.64 -4.36 -0.55 -4.98 121.20 111.07 1zbg s ILE 54 Ca 0.43 -1.69 -0.15 0.00 -0.26 0.00 0.00 60.65 58.98 1zbg s ILE 54 Cb -0.13 -1.39 -0.05 0.00 1.25 0.00 0.00 42.46 42.13 1zbg s ILE 54 CO 0.20 -0.67 0.41 -0.54 0.24 0.00 0.00 174.94 174.58 1zbg s LYS 55 N -3.07 3.96 0.17 0.37 1.02 -1.26 -1.99 119.74 118.93 1zbg s LYS 55 Ca 0.06 0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.46 1zbg s LYS 55 Cb -0.00 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 1zbg s LYS 55 CO -0.02 0.63 0.00 0.14 -0.92 0.00 0.00 175.35 175.18 1zbg s VAL 56 N -0.87 0.67 -0.25 3.17 -7.23 0.43 -4.55 120.40 111.76 1zbg s VAL 56 Ca 0.23 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 1zbg s VAL 56 Cb -0.16 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 1zbg s VAL 56 CO 0.13 -0.49 0.16 -0.13 -0.31 0.00 0.00 175.10 174.46 1zbg s ARG 57 N -3.91 3.98 -0.23 4.82 0.52 0.17 -2.54 118.95 121.75 1zbg s ARG 57 Ca 0.24 -0.31 -0.13 0.00 -0.52 0.00 0.00 55.73 55.01 1zbg s ARG 57 Cb 0.06 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 1zbg s ARG 57 CO 0.04 -0.04 0.27 -1.14 0.02 0.00 0.00 175.30 174.44 1zbg s GLN 58 N 1.35 4.09 -0.05 3.54 0.74 0.43 -0.64 119.66 129.12 1zbg s GLN 58 Ca 0.07 -0.08 0.06 0.00 0.05 0.00 0.00 55.36 55.46 1zbg s GLN 58 Cb -0.15 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.39 1zbg s GLN 58 CO 0.07 -0.03 -0.23 0.71 -0.55 0.00 0.00 175.29 175.26 1zbg s TYR 59 N 1.30 2.46 0.29 1.67 1.51 -0.53 -1.72 117.35 122.33 1zbg s TYR 59 Ca 0.12 -0.59 0.07 0.00 -1.01 0.00 0.00 57.07 55.67 1zbg s TYR 59 Cb -0.14 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1zbg s TYR 59 CO 0.07 -0.13 0.22 -0.51 -1.11 0.00 0.00 175.55 174.09 1zbg s ASP 60 N -0.31 5.37 -1.32 2.29 -0.00 -1.26 -1.66 116.67 119.77 1zbg s ASP 60 Ca 0.01 -0.37 -0.02 0.00 -0.00 0.00 0.00 52.55 52.17 1zbg s ASP 60 Cb -0.13 -1.20 -0.00 0.00 -0.00 0.00 0.00 42.92 41.59 1zbg s ASP 60 CO 0.02 -0.16 0.61 0.00 -0.00 0.00 0.00 175.17 175.64 1zbg n GLN 61 N -1.24 -3.98 -3.80 8.23 6.02 -1.14 -4.92 117.38 116.55 1zbg n GLN 61 Ca -0.05 0.53 -0.36 0.00 -0.01 0.00 0.00 57.00 57.11 1zbg n GLN 61 Cb 0.59 -4.87 -0.10 0.00 1.02 0.00 0.00 30.24 26.89 1zbg n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1zbg s ILE 62 N -3.76 5.07 -0.15 5.09 -1.09 -0.45 -4.77 121.20 121.14 1zbg s ILE 62 Ca 0.05 0.07 -0.27 0.00 -2.23 0.00 0.00 60.65 58.27 1zbg s ILE 62 Cb -0.01 -3.33 -0.01 0.00 -1.58 0.00 0.00 42.46 37.53 1zbg s ILE 62 CO 0.84 0.40 0.91 -0.22 -1.23 0.00 0.00 174.94 175.64 1zbg s LEU 63 N 0.76 4.19 0.00 2.97 0.20 -1.26 -1.82 118.68 123.73 1zbg s LEU 63 Ca 0.06 1.31 0.06 0.00 0.69 0.00 0.00 54.13 56.25 1zbg s LEU 63 Cb -0.13 -3.37 -0.02 0.00 -0.43 0.00 0.00 46.19 42.25 1zbg s LEU 63 CO 0.02 -0.44 -0.20 -0.63 -0.29 0.00 0.00 176.35 174.82 1zbg s ILE 64 N 2.18 1.55 -0.21 6.68 1.01 0.59 -4.52 121.20 128.49 1zbg s ILE 64 Ca 0.42 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 1zbg s ILE 64 Cb -0.17 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1zbg s ILE 64 CO 0.14 0.37 0.09 -0.70 0.00 0.00 0.00 174.94 174.83 1zbg s GLU 65 N -0.65 3.97 -0.20 2.79 2.12 -0.21 -0.92 118.70 125.60 1zbg s GLU 65 Ca 0.07 -0.33 0.13 0.00 0.36 0.00 0.00 54.97 55.20 1zbg s GLU 65 Cb -0.08 -3.32 0.44 0.00 0.26 0.00 0.00 34.13 31.43 1zbg s GLU 65 CO -0.00 0.17 1.20 -0.89 -0.54 0.00 0.00 175.26 175.20 1zbg n ILE 66 N 3.88 1.91 0.00 -3.70 5.41 -1.26 -1.11 119.36 124.49 1zbg n ILE 66 Ca -0.16 -3.13 0.00 0.00 1.00 0.00 0.00 62.75 60.45 1zbg n ILE 66 Cb 0.52 -0.18 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 1zbg n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1zbg n GLY 68 N -0.76 0.00 3.52 7.39 0.00 -1.26 -4.73 105.19 109.35 1zbg n GLY 68 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1zbg n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1zbg s HIS 69 N 0.00 3.23 0.33 1.61 4.02 -1.26 -5.07 115.29 118.15 1zbg s HIS 69 Ca 0.00 -0.27 -0.29 0.00 1.02 0.00 0.00 55.06 55.53 1zbg s HIS 69 Cb 0.00 -2.53 -0.10 0.00 -1.02 0.00 0.00 32.58 28.93 1zbg s HIS 69 CO 0.00 -0.42 1.31 0.15 1.02 0.00 0.00 174.74 176.81 1zbg s LYS 70 N 1.75 4.35 -0.14 1.40 1.02 -1.26 -4.36 119.74 122.50 1zbg s LYS 70 Ca 0.07 2.22 -0.12 0.00 0.02 0.00 0.00 55.97 58.16 1zbg s LYS 70 Cb -0.18 -3.07 0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1zbg s LYS 70 CO 0.11 -0.20 0.36 0.08 -0.92 0.00 0.00 175.35 174.78 1zbg s VAL 71 N -1.08 -0.00 -0.09 3.17 1.01 -0.10 -4.91 120.40 118.38 1zbg s VAL 71 Ca 0.49 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1zbg s VAL 71 Cb -0.40 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1zbg s VAL 71 CO 0.53 0.00 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 1zbg s ILE 72 N 0.30 1.09 0.00 2.22 1.01 -1.26 -0.30 121.20 124.26 1zbg s ILE 72 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1zbg s ILE 72 Cb -0.03 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.38 1zbg s ILE 72 CO -0.01 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1zbg n GLY 73 N 4.44 0.92 3.76 6.18 0.00 -0.75 -4.84 105.19 114.90 1zbg n GLY 73 Ca -0.17 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1zbg n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zbg s THR 74 N -2.29 4.82 -0.04 2.61 2.01 -1.26 -1.35 115.64 120.14 1zbg s THR 74 Ca 0.00 1.37 0.02 0.00 0.31 0.00 0.00 61.69 63.39 1zbg s THR 74 Cb 0.00 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1zbg s THR 74 CO 0.00 0.42 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.58 1zbg s VAL 75 N -0.26 0.77 -0.18 3.82 1.01 -0.67 -4.45 120.40 120.44 1zbg s VAL 75 Ca 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1zbg s VAL 75 Cb -0.19 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1zbg s VAL 75 CO 0.19 0.26 -0.07 -0.76 0.00 0.00 0.00 175.10 174.72 1zbg s LEU 76 N 0.54 2.88 -0.23 3.92 1.43 -0.05 -1.46 118.68 125.71 1zbg s LEU 76 Ca -0.09 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 1zbg s LEU 76 Cb -0.12 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1zbg s LEU 76 CO 0.01 0.07 0.14 -0.69 0.23 0.00 0.00 176.35 176.11 1zbg s VAL 77 N 0.96 5.21 0.06 -1.59 1.01 0.19 0.67 120.40 126.91 1zbg s VAL 77 Ca -0.01 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1zbg s VAL 77 Cb -0.15 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1zbg s VAL 77 CO 0.00 0.36 0.31 0.61 0.00 0.00 0.00 175.10 176.38 1zbg n GLY 78 N 4.21 1.15 3.55 4.51 0.00 -0.91 -0.66 105.19 117.04 1zbg n GLY 78 Ca -0.15 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 1zbg n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1zbg s PRO 79 N -2.02 2.62 0.00 1.61 0.04 -1.26 -4.47 135.00 131.53 1zbg s PRO 79 Ca 0.07 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.49 1zbg s PRO 79 Cb -0.01 -4.55 -0.01 0.00 0.04 0.00 0.00 34.50 29.97 1zbg s PRO 79 CO 0.02 -2.88 -0.04 -0.08 0.04 0.00 0.00 177.00 174.06 1zbg s THR 80 N 9.28 0.26 -1.69 1.26 -1.32 -1.26 -5.03 115.64 117.14 1zbg s THR 80 Ca 0.67 -0.29 0.30 0.00 -1.21 0.00 0.00 61.69 61.16 1zbg s THR 80 Cb -0.11 -0.25 0.63 0.00 -1.51 0.00 0.00 72.50 71.26 1zbg s THR 80 CO 0.15 -0.03 2.06 -0.81 -2.21 0.00 0.00 174.62 173.79 1zbg n PRO 81 N 2.72 0.70 -3.81 7.08 -0.04 -1.26 -4.63 135.00 135.76 1zbg n PRO 81 Ca -0.15 -0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 1zbg n PRO 81 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 1zbg n PRO 81 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1zbg s THR 82 N -2.35 -0.01 0.12 0.52 2.01 -1.26 -5.06 115.64 109.61 1zbg s THR 82 Ca 0.35 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1zbg s THR 82 Cb 0.21 -0.18 -0.07 0.00 0.01 0.00 0.00 72.50 72.47 1zbg s THR 82 CO 0.43 0.02 1.18 0.20 -0.69 0.00 0.00 174.62 175.75 1zbg s ASN 83 N 0.29 7.12 -0.14 3.53 0.01 -1.26 -4.53 114.94 119.97 1zbg s ASN 83 Ca -0.02 2.09 0.03 0.00 -0.71 0.00 0.00 52.86 54.24 1zbg s ASN 83 Cb -0.03 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1zbg s ASN 83 CO -0.01 -0.39 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.28 1zbg s VAL 84 N 0.48 2.07 -0.28 1.60 1.01 0.50 -0.72 120.40 125.06 1zbg s VAL 84 Ca 0.55 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 1zbg s VAL 84 Cb -0.30 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1zbg s VAL 84 CO 0.32 0.55 0.29 -0.63 0.00 0.00 0.00 175.10 175.63 1zbg s ILE 85 N 0.75 5.23 0.34 2.22 -1.09 0.26 -1.54 121.20 127.37 1zbg s ILE 85 Ca -0.08 0.31 0.05 0.00 -2.23 0.00 0.00 60.65 58.70 1zbg s ILE 85 Cb -0.16 -3.64 0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1zbg s ILE 85 CO -0.01 0.16 0.42 0.61 -1.23 0.00 0.00 174.94 174.90 1zbg n GLY 86 N 4.89 2.13 0.29 6.18 0.00 -1.25 -1.31 105.19 116.12 1zbg n GLY 86 Ca -0.11 -2.20 0.06 0.00 0.00 0.00 0.00 46.02 43.77 1zbg n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1zbg h ARG 87 N 0.00 0.30 -0.72 1.61 3.08 -0.25 -0.84 114.38 117.56 1zbg h ARG 87 Ca -0.17 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 59.98 1zbg h ARG 87 Cb 0.73 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 1zbg h ARG 87 CO 0.25 0.20 0.47 -2.95 -1.07 0.00 0.00 179.97 176.87 1zbg h ASN 88 N 0.31 0.49 0.02 7.04 -1.07 -1.79 -1.37 115.58 119.21 1zbg h ASN 88 Ca 0.09 0.02 -0.37 0.00 0.07 0.00 0.00 56.30 56.10 1zbg h ASN 88 Cb -0.00 -0.08 -0.07 0.00 -2.07 0.00 0.00 38.32 36.09 1zbg h ASN 88 CO -0.02 0.28 -2.39 0.18 0.07 0.00 0.00 177.43 175.55 1zbg n LEU 89 N -4.49 1.03 -0.04 6.14 4.77 -0.74 -4.32 117.00 119.35 1zbg n LEU 89 Ca 0.12 -0.03 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 1zbg n LEU 89 Cb 0.40 0.01 0.34 0.00 -2.33 0.00 0.00 43.42 41.84 1zbg n LEU 89 CO 0.33 0.64 1.09 -0.07 -1.33 0.00 0.00 177.39 178.05 1zbg h LEU 90 N 0.00 0.55 -1.76 2.23 3.38 -0.93 -1.86 115.31 116.93 1zbg h LEU 90 Ca -0.55 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 1zbg h LEU 90 Cb 2.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 1zbg h LEU 90 CO -0.01 0.48 -0.07 0.71 0.09 0.00 0.00 178.44 179.65 1zbg h THR 91 N 0.62 1.08 0.00 0.22 1.35 -1.46 -2.24 112.91 112.49 1zbg h THR 91 Ca 0.16 -0.35 -0.07 0.00 -0.55 0.00 0.00 66.41 65.59 1zbg h THR 91 Cb 0.07 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 1zbg h THR 91 CO -0.02 0.11 -0.35 1.56 -0.25 0.00 0.00 175.52 176.57 1zbg h GLN 92 N 0.07 0.00 -0.02 4.72 4.20 -1.53 -3.01 115.11 119.54 1zbg h GLN 92 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1zbg h GLN 92 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1zbg h GLN 92 CO 0.01 0.35 -0.05 0.44 -0.67 0.00 0.00 178.83 178.91 1zbg n ILE 93 N -3.42 0.00 -1.55 2.54 -5.35 -1.15 -4.96 119.36 105.46 1zbg n ILE 93 Ca 0.00 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1zbg n ILE 93 Cb 0.53 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 1zbg n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1zbg n GLY 94 N 1.24 0.46 3.72 3.28 0.00 -1.14 -5.03 105.19 107.73 1zbg n GLY 94 Ca 0.17 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1zbg n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zbg s THR 96 N 0.70 1.49 -0.12 0.00 -4.23 -1.26 -4.76 115.64 107.46 1zbg s THR 96 Ca 0.61 -1.69 -0.19 0.00 -1.18 0.00 0.00 61.69 59.24 1zbg s THR 96 Cb -0.36 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 1zbg s THR 96 CO 0.33 -0.31 0.53 -0.76 -0.54 0.00 0.00 174.62 173.88 1zbg s LEU 97 N -2.33 4.26 -0.05 4.79 1.43 -1.26 -5.09 118.68 120.42 1zbg s LEU 97 Ca 0.09 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 1zbg s LEU 97 Cb -0.07 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1zbg s LEU 97 CO 0.04 -0.06 -0.14 0.20 0.23 0.00 0.00 176.35 176.62 1zbg s ASN 98 N 0.75 1.88 0.00 2.29 -0.87 -1.26 -5.29 114.94 112.43 1zbg s ASN 98 Ca 0.28 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 1zbg s ASN 98 Cb -0.16 -0.71 0.00 0.00 -0.02 0.00 0.00 41.25 40.37 1zbg s ASN 98 CO 0.12 0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.95