#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jzs s LEU 27 N 0.00 4.44 0.18 -4.42 1.02 -1.26 -3.69 118.68 114.95 3jzs s LEU 27 Ca 0.00 1.29 0.06 0.00 0.02 0.00 0.00 54.13 55.49 3jzs s LEU 27 Cb 0.00 -3.19 -0.05 0.00 0.02 0.00 0.00 46.19 42.97 3jzs s LEU 27 CO 0.00 0.17 -0.11 0.68 0.02 0.00 0.00 176.35 177.11 3jzs s VAL 28 N -1.30 1.42 -0.34 -1.59 -7.23 0.30 -4.94 120.40 106.71 3jzs s VAL 28 Ca 0.35 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 3jzs s VAL 28 Cb -0.18 -1.99 0.10 0.00 0.56 0.00 0.00 36.38 34.88 3jzs s VAL 28 CO 0.20 -0.64 0.11 -0.13 -0.31 0.00 0.00 175.10 174.33 3jzs s ARG 29 N -3.71 1.00 0.44 4.82 1.81 -1.26 -0.49 118.95 121.56 3jzs s ARG 29 Ca 0.20 -1.43 -0.25 0.00 -1.72 0.00 0.00 55.73 52.54 3jzs s ARG 29 Cb 0.01 -2.37 -0.09 0.00 -0.45 0.00 0.00 34.95 32.06 3jzs s ARG 29 CO 0.04 -1.00 1.34 -2.30 -0.68 0.00 0.00 175.30 172.71 3jzs n PRO 30 N 4.50 2.06 -1.29 3.54 -0.02 -1.26 0.53 135.00 143.06 3jzs n PRO 30 Ca 0.01 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 3jzs n PRO 30 Cb 0.41 -2.50 0.14 0.00 -0.02 0.00 0.00 33.50 31.52 3jzs n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3jzs s LYS 31 N -2.34 1.25 0.27 -0.52 1.02 0.26 -4.62 119.74 115.06 3jzs s LYS 31 Ca 0.61 0.69 -0.04 0.00 0.02 0.00 0.00 55.97 57.26 3jzs s LYS 31 Cb -0.48 -1.82 0.55 0.00 -0.52 0.00 0.00 37.83 35.56 3jzs s LYS 31 CO 0.57 -2.21 1.62 -1.35 -0.92 0.00 0.00 175.35 173.07 3jzs h PRO 32 N -1.52 0.10 -0.34 -1.68 0.11 -1.95 0.66 132.00 127.39 3jzs h PRO 32 Ca -0.50 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 3jzs h PRO 32 Cb 1.29 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3jzs h PRO 32 CO 0.57 0.07 -0.10 1.25 -0.21 0.00 0.00 178.00 179.57 3jzs h LEU 33 N 0.11 0.68 -0.73 2.35 5.85 -1.94 -0.36 115.31 121.27 3jzs h LEU 33 Ca 0.48 -0.38 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 3jzs h LEU 33 Cb 0.89 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3jzs h LEU 33 CO -0.72 0.90 -0.39 0.25 -0.34 0.00 0.00 178.44 178.15 3jzs h LEU 34 N 0.45 0.54 -0.83 2.25 5.85 -1.76 -2.11 115.31 119.71 3jzs h LEU 34 Ca 0.08 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 3jzs h LEU 34 Cb 0.62 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3jzs h LEU 34 CO 0.04 0.88 0.08 0.25 -0.34 0.00 0.00 178.44 179.34 3jzs h LEU 35 N 0.43 0.91 -0.80 2.25 5.85 -0.67 -1.37 115.31 121.91 3jzs h LEU 35 Ca 0.04 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3jzs h LEU 35 Cb 0.87 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3jzs h LEU 35 CO 0.07 0.92 0.43 0.50 -0.34 0.00 0.00 178.44 180.03 3jzs h LYS 36 N 0.90 1.12 0.29 1.25 3.64 -0.68 -0.50 116.57 122.59 3jzs h LYS 36 Ca 0.18 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3jzs h LYS 36 Cb 0.42 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3jzs h LYS 36 CO 0.01 0.83 -0.14 1.25 -2.27 0.00 0.00 179.45 179.14 3jzs h LEU 37 N 1.11 -0.32 -0.62 5.20 6.46 -0.83 -1.43 115.31 124.88 3jzs h LEU 37 Ca 0.28 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 3jzs h LEU 37 Cb 0.05 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 3jzs h LEU 37 CO -0.04 -0.19 0.39 -0.07 -0.62 0.00 0.00 178.44 177.91 3jzs h LEU 38 N -0.43 0.72 -1.42 2.25 3.38 -1.02 -1.92 115.31 116.86 3jzs h LEU 38 Ca -0.04 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3jzs h LEU 38 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3jzs h LEU 38 CO 0.06 0.54 -0.20 0.11 0.09 0.00 0.00 178.44 179.04 3jzs h LYS 39 N 0.83 0.12 0.00 1.13 1.57 -1.03 -2.00 116.57 117.20 3jzs h LYS 39 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3jzs h LYS 39 Cb -0.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3jzs h LYS 39 CO -0.05 0.33 0.00 0.66 -0.57 0.00 0.00 179.45 179.82 3jzs h SER 40 N 0.12 0.00 -0.43 0.86 4.64 -0.42 -2.05 113.55 116.26 3jzs h SER 40 Ca 0.02 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.14 3jzs h SER 40 Cb 0.43 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.41 3jzs h SER 40 CO 0.03 0.00 0.03 1.33 -0.87 0.00 0.00 176.83 177.35 3jzs n VAL 41 N -3.04 2.61 -0.04 0.95 0.24 -0.79 -4.96 118.33 113.31 3jzs n VAL 41 Ca -0.02 -2.48 0.00 0.00 -2.04 0.00 0.00 64.34 59.80 3jzs n VAL 41 Cb 0.11 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 3jzs n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jzs n GLY 42 N -1.01 0.47 3.70 7.63 0.00 -0.77 -5.01 105.19 110.20 3jzs n GLY 42 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 3jzs n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jzs s ALA 43 N -2.18 3.53 -0.34 4.61 0.00 -1.00 -4.94 121.76 121.44 3jzs s ALA 43 Ca 0.00 0.95 0.07 0.00 0.00 0.00 0.00 51.96 52.98 3jzs s ALA 43 Cb 0.00 -3.53 0.45 0.00 0.00 0.00 0.00 23.12 20.04 3jzs s ALA 43 CO 0.00 -0.67 1.16 1.04 0.00 0.00 0.00 175.76 177.29 3jzs n GLN 44 N 4.47 3.47 -4.12 0.00 6.02 -1.26 -4.01 117.38 121.94 3jzs n GLN 44 Ca 0.11 -4.24 -0.11 0.00 -0.01 0.00 0.00 57.00 52.75 3jzs n GLN 44 Cb 0.44 -2.24 -0.09 0.00 1.02 0.00 0.00 30.24 29.38 3jzs n GLN 44 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3jzs s LYS 45 N -3.58 1.19 -0.00 -1.09 -2.85 -1.26 -5.06 119.74 107.09 3jzs s LYS 45 Ca 0.49 -1.46 0.06 0.00 -1.00 0.00 0.00 55.97 54.06 3jzs s LYS 45 Cb 0.40 0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 36.40 3jzs s LYS 45 CO -0.03 -0.41 0.22 -0.25 0.10 0.00 0.00 175.35 174.98 3jzs n ASP 46 N -0.24 1.57 -4.31 0.03 9.92 -1.26 -4.96 116.55 117.30 3jzs n ASP 46 Ca -0.02 -0.39 -0.32 0.00 -0.53 0.00 0.00 54.79 53.53 3jzs n ASP 46 Cb 0.64 1.12 -0.16 0.00 -0.64 0.00 0.00 41.12 42.09 3jzs n ASP 46 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3jzs s THR 47 N -1.95 2.55 0.10 -3.53 2.01 -1.26 -4.08 115.64 109.49 3jzs s THR 47 Ca 0.00 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.17 3jzs s THR 47 Cb 0.05 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 3jzs s THR 47 CO 0.27 0.55 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.36 3jzs s TYR 48 N 0.23 0.95 0.41 4.92 2.02 0.35 -4.95 117.35 121.27 3jzs s TYR 48 Ca -0.12 -0.88 -0.00 0.00 -0.37 0.00 0.00 57.07 55.70 3jzs s TYR 48 Cb -0.16 -0.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.84 3jzs s TYR 48 CO 0.07 -0.11 0.63 0.95 -1.57 0.00 0.00 175.55 175.52 3jzs s THR 49 N -3.51 4.64 0.32 -0.71 -4.23 -1.26 0.11 115.64 111.01 3jzs s THR 49 Ca 0.12 -0.38 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 3jzs s THR 49 Cb 0.04 -3.71 0.16 0.00 1.34 0.00 0.00 72.50 70.33 3jzs s THR 49 CO -0.04 -0.52 1.87 0.24 -0.54 0.00 0.00 174.62 175.63 3jzs h MET 50 N 0.53 0.60 -0.78 3.99 0.00 -1.96 -2.09 114.93 115.22 3jzs h MET 50 Ca -0.48 -0.12 -0.03 0.00 0.00 0.00 0.00 59.70 59.06 3jzs h MET 50 Cb 1.23 -0.09 -0.04 0.00 0.00 0.00 0.00 31.60 32.71 3jzs h MET 50 CO 0.60 0.60 0.36 0.87 0.00 0.00 0.00 176.91 179.33 3jzs h LYS 51 N 0.57 1.13 -0.38 1.72 1.57 -1.93 -0.28 116.57 118.97 3jzs h LYS 51 Ca 0.12 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3jzs h LYS 51 Cb 0.32 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3jzs h LYS 51 CO 0.01 0.88 0.10 0.93 -0.57 0.00 0.00 179.45 180.80 3jzs h GLU 52 N 1.12 0.60 -0.40 3.15 5.08 -1.81 0.12 114.58 122.43 3jzs h GLU 52 Ca 0.27 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3jzs h GLU 52 Cb 0.14 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3jzs h GLU 52 CO -0.03 0.63 0.18 0.28 -1.00 0.00 0.00 179.01 179.07 3jzs h VAL 53 N 0.46 0.93 -0.30 3.13 2.07 -0.96 -1.45 116.25 120.13 3jzs h VAL 53 Ca 0.12 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 3jzs h VAL 53 Cb 0.29 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3jzs h VAL 53 CO 0.00 0.07 -0.08 -0.07 0.02 0.00 0.00 177.57 177.51 3jzs h LEU 54 N 0.36 0.47 0.11 2.57 3.38 -0.77 -0.71 115.31 120.72 3jzs h LEU 54 Ca 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3jzs h LEU 54 Cb 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3jzs h LEU 54 CO -0.15 0.60 -0.05 0.15 0.09 0.00 0.00 178.44 179.08 3jzs h PHE 55 N 0.47 -0.13 -0.10 1.13 3.57 -0.08 -1.74 116.94 120.06 3jzs h PHE 55 Ca 0.09 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 3jzs h PHE 55 Cb 0.43 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3jzs h PHE 55 CO 0.01 0.04 -0.41 1.88 -2.23 0.00 0.00 178.31 177.60 3jzs h TYR 56 N -0.28 0.26 -0.59 0.41 0.05 -1.15 -1.79 116.97 113.88 3jzs h TYR 56 Ca -0.01 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.60 3jzs h TYR 56 Cb 0.23 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 3jzs h TYR 56 CO -0.03 0.61 -0.00 1.25 -1.05 0.00 0.00 178.16 178.94 3jzs h LEU 57 N 0.19 1.02 -0.71 3.88 5.85 -1.03 -0.25 115.31 124.24 3jzs h LEU 57 Ca 0.02 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 3jzs h LEU 57 Cb 0.81 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3jzs h LEU 57 CO 0.06 1.07 0.21 1.23 -0.34 0.00 0.00 178.44 180.67 3jzs h GLY 58 N 0.99 1.20 1.01 3.75 0.00 -1.07 -1.21 103.07 107.75 3jzs h GLY 58 Ca 0.17 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 3jzs h GLY 58 CO 0.03 0.67 0.32 1.46 0.00 0.00 0.00 176.54 179.03 3jzs h GLN 59 N 1.06 1.01 0.01 4.80 1.08 -0.89 -0.42 115.11 121.76 3jzs h GLN 59 Ca 0.23 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3jzs h GLN 59 Cb 0.32 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3jzs h GLN 59 CO -0.01 0.80 -0.01 -0.92 -0.95 0.00 0.00 178.83 177.75 3jzs h TYR 60 N 0.97 -0.01 -0.62 2.96 3.20 -0.74 0.16 116.97 122.89 3jzs h TYR 60 Ca 0.24 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.12 3jzs h TYR 60 Cb 0.14 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3jzs h TYR 60 CO 0.01 0.08 0.40 0.82 -1.64 0.00 0.00 178.16 177.84 3jzs h ILE 61 N -0.11 1.14 -0.08 1.81 2.04 -1.02 -1.57 117.51 119.72 3jzs h ILE 61 Ca -0.00 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3jzs h ILE 61 Cb 0.11 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3jzs h ILE 61 CO 0.00 0.15 -0.00 -0.03 0.00 0.00 0.00 178.15 178.27 3jzs h MET 62 N 0.82 0.15 -0.17 2.37 4.05 -0.98 -1.64 114.93 119.53 3jzs h MET 62 Ca 0.23 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.54 3jzs h MET 62 Cb -0.07 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 3jzs h MET 62 CO -0.06 0.42 -0.16 1.79 0.23 0.00 0.00 176.91 179.14 3jzs h THR 63 N -0.14 1.20 -0.25 -0.77 1.35 -0.83 -1.79 112.91 111.68 3jzs h THR 63 Ca 0.02 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 3jzs h THR 63 Cb 0.36 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3jzs h THR 63 CO 0.00 0.28 0.00 0.29 -0.25 0.00 0.00 175.52 175.85 3jzs n LYS 64 N -4.24 1.92 -3.96 4.72 5.02 -0.60 -4.95 118.16 116.06 3jzs n LYS 64 Ca -0.01 -1.39 -0.27 0.00 -2.02 0.00 0.00 58.31 54.63 3jzs n LYS 64 Cb 0.30 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 3jzs n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jzs n ARG 65 N 0.61 -3.52 0.00 1.97 1.74 -0.67 -4.88 116.66 111.92 3jzs n ARG 65 Ca 0.16 0.43 0.14 0.00 -0.77 0.00 0.00 57.85 57.81 3jzs n ARG 65 Cb 0.39 -4.70 0.57 0.00 -1.02 0.00 0.00 32.46 27.70 3jzs n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3jzs n LEU 66 N -4.40 0.08 -4.86 0.55 4.77 -0.68 -4.85 117.00 107.61 3jzs n LEU 66 Ca -0.25 0.44 -0.31 0.00 -0.03 0.00 0.00 56.01 55.86 3jzs n LEU 66 Cb 0.65 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3jzs n LEU 66 CO 0.76 0.01 0.62 -0.72 -1.33 0.00 0.00 177.39 176.73 3jzs s TYR 67 N -3.00 3.49 0.26 -1.77 -0.85 -1.26 -0.87 117.35 113.34 3jzs s TYR 67 Ca 0.14 1.32 -0.30 0.00 -0.52 0.00 0.00 57.07 57.71 3jzs s TYR 67 Cb 0.19 -2.69 -0.09 0.00 0.38 0.00 0.00 41.96 39.75 3jzs s TYR 67 CO 0.55 -0.35 1.14 0.34 -1.52 0.00 0.00 175.55 175.71 3jzs s ASP 68 N -3.29 7.19 0.30 -0.18 2.15 0.31 -4.90 116.67 118.25 3jzs s ASP 68 Ca 0.56 2.29 0.14 0.00 0.43 0.00 0.00 52.55 55.96 3jzs s ASP 68 Cb -0.10 -2.62 0.42 0.00 -0.30 0.00 0.00 42.92 40.32 3jzs s ASP 68 CO 0.35 -0.23 1.63 -0.33 -0.17 0.00 0.00 175.17 176.42 3jzs h GLU 69 N 4.17 0.00 0.10 4.34 4.39 -1.95 -3.16 114.58 122.46 3jzs h GLU 69 Ca -0.46 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.00 3jzs h GLU 69 Cb 1.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3jzs h GLU 69 CO 0.69 0.55 -1.21 -0.22 -1.16 0.00 0.00 179.01 177.65 3jzs h LYS 70 N 0.00 0.20 -3.32 2.33 3.64 -1.99 -3.40 116.57 114.03 3jzs h LYS 70 Ca -0.01 -0.35 -0.64 0.00 -1.27 0.00 0.00 60.65 58.38 3jzs h LYS 70 Cb 1.08 0.13 -0.41 0.00 -0.41 0.00 0.00 32.23 32.62 3jzs h LYS 70 CO 0.07 1.17 -0.58 -0.65 -2.27 0.00 0.00 179.45 177.19 3jzs s GLN 71 N -2.44 2.20 0.00 1.90 -1.52 -1.25 -4.97 119.66 113.57 3jzs s GLN 71 Ca -0.20 -2.83 0.08 0.00 -1.95 0.00 0.00 55.36 50.47 3jzs s GLN 71 Cb 0.04 -3.40 0.50 0.00 -0.22 0.00 0.00 33.01 29.92 3jzs s GLN 71 CO 0.75 -1.16 0.95 1.04 -0.25 0.00 0.00 175.29 176.61 3jzs n GLN 72 N 2.82 0.50 0.02 2.91 6.02 -1.19 -1.30 117.38 127.16 3jzs n GLN 72 Ca 0.09 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.20 3jzs n GLN 72 Cb 0.33 -1.26 0.18 0.00 1.02 0.00 0.00 30.24 30.52 3jzs n GLN 72 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3jzs n HIS 73 N -0.76 0.21 -2.88 1.08 1.44 -1.26 -4.67 115.22 108.38 3jzs n HIS 73 Ca 0.06 0.06 -0.41 0.00 -2.01 0.00 0.00 57.72 55.42 3jzs n HIS 73 Cb 0.03 -0.40 -0.04 0.00 0.12 0.00 0.00 29.99 29.70 3jzs n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3jzs s ILE 74 N -3.08 4.92 -0.14 0.61 -1.09 -0.42 0.12 121.20 122.12 3jzs s ILE 74 Ca 0.08 1.76 0.02 0.00 -2.23 0.00 0.00 60.65 60.28 3jzs s ILE 74 Cb 0.16 -4.18 0.02 0.00 -1.58 0.00 0.00 42.46 36.87 3jzs s ILE 74 CO 0.73 0.22 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.78 3jzs s VAL 75 N 0.79 1.85 -0.23 2.92 1.01 0.28 -0.53 120.40 126.48 3jzs s VAL 75 Ca 0.44 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 3jzs s VAL 75 Cb -0.20 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3jzs s VAL 75 CO 0.23 0.51 0.34 -0.31 0.00 0.00 0.00 175.10 175.87 3jzs s TYR 76 N 1.07 3.33 -0.00 5.22 2.02 -0.04 -1.58 117.35 127.36 3jzs s TYR 76 Ca -0.02 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.16 3jzs s TYR 76 Cb -0.14 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.93 3jzs s TYR 76 CO -0.06 -0.06 0.77 0.00 -1.57 0.00 0.00 175.55 174.64 3jzs h SER 78 N 0.00 -0.55 -1.46 0.00 4.64 -1.63 -2.34 113.55 112.21 3jzs h SER 78 Ca 0.00 0.16 -0.70 0.00 -0.47 0.00 0.00 61.79 60.78 3jzs h SER 78 Cb 0.75 0.34 -0.31 0.00 -0.31 0.00 0.00 62.40 62.87 3jzs h SER 78 CO 0.00 -0.19 0.63 -3.20 -0.87 0.00 0.00 176.83 173.20 3jzs n ASN 79 N -5.38 7.06 -3.87 4.97 4.05 -1.26 -4.77 115.26 116.06 3jzs n ASN 79 Ca 0.05 -3.80 -0.10 0.00 0.45 0.00 0.00 54.58 51.18 3jzs n ASN 79 Cb 0.28 -0.90 -0.09 0.00 1.23 0.00 0.00 39.78 40.31 3jzs n ASN 79 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3jzs s ASP 80 N -1.85 0.09 0.47 1.20 2.15 -0.97 -5.02 116.67 112.74 3jzs s ASP 80 Ca 0.56 -0.45 0.24 0.00 0.43 0.00 0.00 52.55 53.33 3jzs s ASP 80 Cb 0.46 0.28 1.27 0.00 -0.30 0.00 0.00 42.92 44.62 3jzs s ASP 80 CO -0.20 -0.56 1.88 0.25 -0.17 0.00 0.00 175.17 176.37 3jzs h LEU 81 N 3.44 0.21 -1.84 -1.34 6.46 -1.92 0.25 115.31 120.57 3jzs h LEU 81 Ca -0.32 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.49 3jzs h LEU 81 Cb 1.19 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 3jzs h LEU 81 CO 0.50 0.08 0.18 0.25 -0.62 0.00 0.00 178.44 178.83 3jzs h LEU 82 N 0.21 0.17 -0.85 2.25 5.85 -1.96 -1.35 115.31 119.64 3jzs h LEU 82 Ca 0.43 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 59.05 3jzs h LEU 82 Cb 1.37 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3jzs h LEU 82 CO -0.10 0.12 -0.18 1.23 -0.34 0.00 0.00 178.44 179.17 3jzs h GLY 83 N 0.20 0.71 1.67 3.75 0.00 0.03 -1.64 103.07 107.80 3jzs h GLY 83 Ca 0.11 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 3jzs h GLY 83 CO -0.02 0.52 -0.28 -0.55 0.00 0.00 0.00 176.54 176.21 3jzs h ASP 84 N 0.59 0.39 0.00 0.19 3.32 -1.28 0.90 116.42 120.53 3jzs h ASP 84 Ca 0.09 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3jzs h ASP 84 Cb 0.64 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3jzs h ASP 84 CO 0.05 0.66 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.16 3jzs h LEU 85 N 0.34 -0.00 -0.60 1.55 3.38 -1.08 -3.24 115.31 115.66 3jzs h LEU 85 Ca 0.05 -0.60 -0.07 0.00 0.09 0.00 0.00 57.88 57.35 3jzs h LEU 85 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3jzs h LEU 85 CO 0.05 0.60 -0.34 -0.26 0.09 0.00 0.00 178.44 178.58 3jzs h PHE 86 N -0.60 0.00 -0.61 1.13 -1.00 -1.37 -3.47 116.94 111.02 3jzs h PHE 86 Ca -0.00 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.52 3jzs h PHE 86 Cb 0.60 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.06 3jzs h PHE 86 CO 0.14 0.34 -0.24 0.41 -1.61 0.00 0.00 178.31 177.35 3jzs n GLY 87 N 0.62 1.35 3.24 -1.45 0.00 0.30 -4.99 105.19 104.26 3jzs n GLY 87 Ca 0.01 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 3jzs n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jzs s VAL 88 N -2.43 0.86 -0.33 1.61 -7.23 -1.19 -5.03 120.40 106.66 3jzs s VAL 88 Ca 0.00 -2.00 0.21 0.00 -1.81 0.00 0.00 61.98 58.38 3jzs s VAL 88 Cb 0.00 -1.98 0.18 0.00 0.56 0.00 0.00 36.38 35.15 3jzs s VAL 88 CO 0.00 -0.62 1.40 1.55 -0.31 0.00 0.00 175.10 177.12 3jzs h PRO 89 N 2.75 0.00 -2.15 4.82 0.13 -1.92 -3.41 132.00 132.22 3jzs h PRO 89 Ca -0.37 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.94 3jzs h PRO 89 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 3jzs h PRO 89 CO 0.64 0.10 0.55 -1.54 -0.23 0.00 0.00 178.00 177.51 3jzs s SER 90 N -6.01 -0.23 0.28 1.44 1.04 -1.26 -0.55 113.70 108.40 3jzs s SER 90 Ca 0.04 -0.18 -0.21 0.00 0.48 0.00 0.00 55.95 56.08 3jzs s SER 90 Cb 0.07 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.59 3jzs s SER 90 CO 0.72 -0.67 0.72 0.72 0.98 0.00 0.00 173.24 175.71 3jzs s PHE 91 N -3.06 -0.19 -0.09 5.02 -0.12 -0.62 -4.97 117.98 113.96 3jzs s PHE 91 Ca 0.09 -0.27 -0.01 0.00 -0.05 0.00 0.00 56.93 56.69 3jzs s PHE 91 Cb -0.01 0.71 -0.03 0.00 -0.63 0.00 0.00 43.02 43.07 3jzs s PHE 91 CO -0.03 -1.24 -0.04 0.45 -0.05 0.00 0.00 175.22 174.30 3jzs s SER 92 N -2.92 4.83 0.55 1.98 0.15 -1.26 -0.55 113.70 116.48 3jzs s SER 92 Ca 0.11 0.01 0.22 0.00 0.70 0.00 0.00 55.95 56.99 3jzs s SER 92 Cb -0.06 -1.36 1.53 0.00 -1.71 0.00 0.00 66.02 64.42 3jzs s SER 92 CO 0.07 0.33 2.20 0.58 1.20 0.00 0.00 173.24 177.62 3jzs h VAL 93 N 4.38 0.78 0.00 4.45 2.07 -0.68 -0.57 116.25 126.68 3jzs h VAL 93 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3jzs h VAL 93 Cb 1.18 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3jzs h VAL 93 CO 0.55 0.00 0.00 0.11 0.02 0.00 0.00 177.57 178.25 3jzs h LYS 94 N 0.00 0.00 -4.60 1.57 1.57 -1.95 -3.36 116.57 109.80 3jzs h LYS 94 Ca 0.00 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.06 3jzs h LYS 94 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.21 3jzs h LYS 94 CO -0.00 0.00 2.24 0.39 -0.57 0.00 0.00 179.45 181.51 3jzs n GLU 95 N -2.75 3.23 -0.22 3.15 1.02 -0.22 -4.80 120.64 120.05 3jzs n GLU 95 Ca 0.00 -3.27 -0.02 0.00 -0.02 0.00 0.00 57.16 53.85 3jzs n GLU 95 Cb 0.22 -3.22 0.09 0.00 -0.02 0.00 0.00 31.44 28.52 3jzs n GLU 95 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3jzs h HIS 96 N 6.65 0.62 -0.62 -0.32 3.86 -1.84 -2.07 115.15 121.42 3jzs h HIS 96 Ca 0.44 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.66 3jzs h HIS 96 Cb 0.76 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 3jzs h HIS 96 CO 1.33 0.28 0.34 -0.09 0.86 0.00 0.00 177.93 180.65 3jzs h ARG 97 N 0.62 0.87 -0.56 2.45 2.43 -1.96 0.38 114.38 118.61 3jzs h ARG 97 Ca 0.29 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3jzs h ARG 97 Cb 0.21 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3jzs h ARG 97 CO -0.19 0.66 0.36 -0.22 -1.51 0.00 0.00 179.97 179.06 3jzs h LYS 98 N 0.85 0.71 -0.49 0.20 3.64 -1.83 0.04 116.57 119.68 3jzs h LYS 98 Ca 0.22 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3jzs h LYS 98 Cb 0.04 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3jzs h LYS 98 CO -0.04 0.47 0.13 0.82 -2.27 0.00 0.00 179.45 178.56 3jzs h ILE 99 N 0.73 1.23 -0.79 2.00 2.04 -0.97 -1.96 117.51 119.79 3jzs h ILE 99 Ca 0.21 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 3jzs h ILE 99 Cb -0.04 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3jzs h ILE 99 CO -0.07 0.29 0.34 1.88 0.00 0.00 0.00 178.15 180.59 3jzs h TYR 100 N 0.66 1.18 -0.56 1.37 -1.99 -0.61 -2.32 116.97 114.70 3jzs h TYR 100 Ca 0.15 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 3jzs h TYR 100 Cb 0.30 -0.36 -0.03 0.00 2.00 0.00 0.00 36.73 38.65 3jzs h TYR 100 CO 0.02 0.89 0.33 1.15 -0.00 0.00 0.00 178.16 180.54 3jzs h THR 101 N 1.14 1.16 -0.10 -2.88 2.02 -0.74 0.00 112.91 113.51 3jzs h THR 101 Ca 0.27 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3jzs h THR 101 Cb 0.19 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3jzs h THR 101 CO -0.03 0.17 0.01 -0.03 0.37 0.00 0.00 175.52 176.01 3jzs h MET 102 N 0.77 0.18 0.01 6.66 1.85 -0.97 -1.18 114.93 122.25 3jzs h MET 102 Ca 0.20 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 3jzs h MET 102 Cb -0.02 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 31.99 3jzs h MET 102 CO -0.04 0.41 -0.03 0.82 -0.40 0.00 0.00 176.91 177.68 3jzs h ILE 103 N -0.08 0.94 -1.01 1.77 2.04 -0.85 -2.16 117.51 118.15 3jzs h ILE 103 Ca 0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.00 3jzs h ILE 103 Cb 0.33 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 3jzs h ILE 103 CO 0.00 0.00 0.64 1.88 0.00 0.00 0.00 178.15 180.67 3jzs h TYR 104 N -0.05 1.16 0.00 1.37 0.05 -0.93 0.50 116.97 119.07 3jzs h TYR 104 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3jzs h TYR 104 Cb 0.06 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.43 3jzs h TYR 104 CO -0.10 0.50 0.00 2.89 -1.05 0.00 0.00 178.16 180.40 3jzs n ARG 105 N -4.59 0.14 -1.09 4.88 1.85 -0.46 -2.75 116.66 114.64 3jzs n ARG 105 Ca 0.18 0.24 -0.15 0.00 -1.00 0.00 0.00 57.85 57.12 3jzs n ARG 105 Cb 0.31 -1.70 0.17 0.00 -1.05 0.00 0.00 32.46 30.18 3jzs n ARG 105 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3jzs n ASN 106 N -1.95 3.61 -4.43 2.89 3.02 0.17 -4.96 115.26 113.60 3jzs n ASN 106 Ca 0.04 -3.74 -0.28 0.00 -0.03 0.00 0.00 54.58 50.57 3jzs n ASN 106 Cb 0.30 -0.71 -0.12 0.00 -0.61 0.00 0.00 39.78 38.64 3jzs n ASN 106 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3jzs s LEU 107 N -3.36 2.47 0.00 3.41 1.43 -1.05 -0.58 118.68 121.00 3jzs s LEU 107 Ca 0.51 -0.74 0.24 0.00 -1.03 0.00 0.00 54.13 53.11 3jzs s LEU 107 Cb 0.44 -1.29 0.21 0.00 0.03 0.00 0.00 46.19 45.58 3jzs s LEU 107 CO 0.03 0.16 1.27 1.33 0.23 0.00 0.00 176.35 179.37