#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zx3 s VAL 11 N 0.00 4.55 0.28 6.31 0.11 -1.26 -5.02 120.40 125.38 1zx3 s VAL 11 Ca 0.00 -1.64 -0.30 0.00 -2.93 0.00 0.00 61.98 57.11 1zx3 s VAL 11 Cb 0.00 -4.91 -0.12 0.00 -1.53 0.00 0.00 36.38 29.82 1zx3 s VAL 11 CO 0.00 -1.67 1.53 0.00 -3.33 0.00 0.00 175.10 171.63 1zx3 n GLN 12 N 7.06 2.50 -2.48 1.54 6.02 -1.26 -5.00 117.38 125.76 1zx3 n GLN 12 Ca 0.31 0.89 -0.33 0.00 -0.01 0.00 0.00 57.00 57.86 1zx3 n GLN 12 Cb 0.48 -2.63 -0.04 0.00 1.02 0.00 0.00 30.24 29.08 1zx3 n GLN 12 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1zx3 s GLN 13 N -0.57 3.88 0.64 -1.09 -0.21 -1.26 -4.74 119.66 116.32 1zx3 s GLN 13 Ca 0.65 1.13 -0.17 0.00 0.02 0.00 0.00 55.36 56.98 1zx3 s GLN 13 Cb -0.54 -2.12 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 1zx3 s GLN 13 CO 0.50 -0.33 1.19 -2.14 -2.12 0.00 0.00 175.29 172.38 1zx3 s PRO 14 N -3.66 2.71 0.38 2.91 0.02 -1.26 -4.98 135.00 131.12 1zx3 s PRO 14 Ca 0.62 1.72 -0.26 0.00 0.02 0.00 0.00 61.00 63.10 1zx3 s PRO 14 Cb -0.12 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 1zx3 s PRO 14 CO 0.25 -1.38 1.16 -0.25 -0.33 0.00 0.00 177.00 176.45 1zx3 n ASP 15 N -2.06 2.04 0.00 2.53 10.43 -1.26 -5.09 116.55 123.13 1zx3 n ASP 15 Ca 0.13 1.12 0.00 0.00 2.57 0.00 0.00 54.79 58.61 1zx3 n ASP 15 Cb 0.50 -1.42 0.00 0.00 1.84 0.00 0.00 41.12 42.04 1zx3 n ASP 15 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 1zx3 n PRO 16 N 0.28 0.00 -1.13 -0.24 -0.04 -1.26 -5.15 135.00 127.46 1zx3 n PRO 16 Ca 0.07 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.18 1zx3 n PRO 16 Cb 0.38 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.84 1zx3 n PRO 16 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1zx3 n ARG 18 N 0.00 0.00 -4.02 0.54 1.74 -1.26 -5.15 116.66 108.50 1zx3 n ARG 18 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1zx3 n ARG 18 Cb 0.00 -0.90 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 1zx3 n ARG 18 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1zx3 s LYS 19 N -0.90 1.92 0.16 5.56 -2.85 -1.26 -5.13 119.74 117.24 1zx3 s LYS 19 Ca 0.52 -1.63 -0.30 0.00 -1.00 0.00 0.00 55.97 53.56 1zx3 s LYS 19 Cb -0.47 0.48 -0.07 0.00 -2.06 0.00 0.00 37.83 35.70 1zx3 s LYS 19 CO 0.59 -0.82 0.95 -0.80 0.10 0.00 0.00 175.35 175.37 1zx3 s ASN 20 N -3.18 7.55 -0.09 0.03 0.01 -1.26 -5.03 114.94 112.97 1zx3 s ASN 20 Ca 0.27 1.85 -0.01 0.00 -0.71 0.00 0.00 52.86 54.26 1zx3 s ASN 20 Cb -0.01 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 1zx3 s ASN 20 CO 0.17 0.03 -0.03 0.86 -1.51 0.00 0.00 177.10 176.62 1zx3 s TRP 21 N -0.51 3.04 0.12 2.20 -0.00 -1.26 -5.27 118.94 117.26 1zx3 s TRP 21 Ca 0.44 0.03 0.01 0.00 -0.00 0.00 0.00 56.10 56.58 1zx3 s TRP 21 Cb -0.24 -1.79 -0.00 0.00 -0.00 0.00 0.00 33.47 31.44 1zx3 s TRP 21 CO 0.31 0.32 0.03 -0.89 -0.00 0.00 0.00 176.95 176.72 1zx3 n ILE 22 N 2.43 0.00 -3.76 5.86 5.41 -1.26 -5.28 119.36 122.76 1zx3 n ILE 22 Ca -0.18 -0.67 -0.13 0.00 1.00 0.00 0.00 62.75 62.77 1zx3 n ILE 22 Cb 0.53 0.21 -0.10 0.00 -0.71 0.00 0.00 39.64 39.57 1zx3 n ILE 22 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1zx3 s GLU 24 N -2.45 0.43 0.03 0.38 2.02 -1.26 -5.33 118.70 112.52 1zx3 s GLU 24 Ca 0.04 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.36 1zx3 s GLU 24 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.44 1zx3 s GLU 24 CO 0.03 -0.07 0.00 -1.71 0.02 0.00 0.00 175.26 173.53 1zx3 n ASN 25 N 2.59 -6.46 -4.61 -0.19 5.15 -1.26 -5.22 115.26 105.26 1zx3 n ASN 25 Ca -0.15 1.57 -0.36 0.00 -0.60 0.00 0.00 54.58 55.04 1zx3 n ASN 25 Cb 0.57 -4.03 -0.10 0.00 -0.53 0.00 0.00 39.78 35.70 1zx3 n ASN 25 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1zx3 s ASP 27 N -0.40 5.86 0.10 1.20 2.15 -1.26 -5.24 116.67 119.09 1zx3 s ASP 27 Ca 0.00 0.04 -0.21 0.00 0.43 0.00 0.00 52.55 52.80 1zx3 s ASP 27 Cb 0.00 -2.05 -0.11 0.00 -0.30 0.00 0.00 42.92 40.46 1zx3 s ASP 27 CO 0.00 0.05 1.75 0.28 -0.17 0.00 0.00 175.17 177.08 1zx3 h SER 28 N 7.61 0.08 -0.85 -0.34 0.02 -2.04 -0.38 113.55 117.65 1zx3 h SER 28 Ca -0.37 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 60.75 1zx3 h SER 28 Cb 1.17 -0.02 -0.16 0.00 0.14 0.00 0.00 62.40 63.54 1zx3 h SER 28 CO 0.63 0.06 -0.22 1.23 -1.14 0.00 0.00 176.83 177.40 1zx3 h GLY 29 N 0.11 0.59 1.56 -3.77 0.00 -2.05 0.10 103.07 99.60 1zx3 h GLY 29 Ca 0.03 0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.50 1zx3 h GLY 29 CO -0.02 -0.32 -0.57 -2.08 0.00 0.00 0.00 176.54 173.55 1zx3 h VAL 30 N -0.00 1.34 -0.13 4.60 2.07 -1.93 -0.17 116.25 122.03 1zx3 h VAL 30 Ca 0.41 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 66.12 1zx3 h VAL 30 Cb 0.62 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1zx3 h VAL 30 CO -0.88 0.57 -0.13 0.40 0.02 0.00 0.00 177.57 177.54 1zx3 h ILE 31 N 0.35 0.63 -0.19 4.57 2.04 0.35 0.18 117.51 125.44 1zx3 h ILE 31 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1zx3 h ILE 31 Cb 1.10 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1zx3 h ILE 31 CO 0.10 0.00 0.09 0.22 0.00 0.00 0.00 178.15 178.56 1zx3 h TYR 32 N -0.16 0.17 -0.59 1.37 3.20 -0.67 0.74 116.97 121.02 1zx3 h TYR 32 Ca 0.09 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.09 1zx3 h TYR 32 Cb 0.30 -0.05 -0.11 0.00 1.54 0.00 0.00 36.73 38.41 1zx3 h TYR 32 CO -0.25 0.09 -0.09 1.25 -1.64 0.00 0.00 178.16 177.52 1zx3 h LEU 33 N 0.20 -0.44 -0.12 2.82 6.46 -0.66 -1.36 115.31 122.20 1zx3 h LEU 33 Ca 0.08 0.17 -0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1zx3 h LEU 33 Cb 0.02 0.33 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1zx3 h LEU 33 CO -0.06 -0.16 -0.14 0.25 -0.62 0.00 0.00 178.44 177.70 1zx3 h LEU 34 N 0.04 0.34 -1.10 2.25 5.85 -0.02 -1.56 115.31 121.11 1zx3 h LEU 34 Ca 0.29 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1zx3 h LEU 34 Cb 0.46 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1zx3 h LEU 34 CO -0.57 0.77 0.61 -0.33 -0.34 0.00 0.00 178.44 178.58 1zx3 h GLU 35 N -0.08 1.19 -0.03 1.25 4.39 -0.79 -1.40 114.58 119.12 1zx3 h GLU 35 Ca 0.02 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1zx3 h GLU 35 Cb 0.68 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1zx3 h GLU 35 CO 0.03 0.79 -0.09 0.77 -1.16 0.00 0.00 179.01 179.35 1zx3 h SER 36 N 1.23 -0.27 -0.28 1.42 0.02 -1.18 -1.35 113.55 113.15 1zx3 h SER 36 Ca 0.35 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.37 1zx3 h SER 36 Cb -0.10 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1zx3 h SER 36 CO -0.08 -0.13 0.08 -0.25 -1.14 0.00 0.00 176.83 175.31 1zx3 h TRP 37 N -0.14 0.14 0.00 3.45 7.01 -0.83 -0.95 115.95 124.63 1zx3 h TRP 37 Ca 0.05 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1zx3 h TRP 37 Cb 0.20 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1zx3 h TRP 37 CO -0.17 0.05 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.39 1zx3 h LEU 38 N 0.19 -0.21 -0.58 0.65 3.38 -1.21 0.14 115.31 117.67 1zx3 h LEU 38 Ca 0.13 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1zx3 h LEU 38 Cb 0.11 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1zx3 h LEU 38 CO -0.14 -0.11 0.27 0.50 0.09 0.00 0.00 178.44 179.05 1zx3 h LYS 39 N -0.13 0.49 -0.17 1.13 3.64 -1.10 0.36 116.57 120.80 1zx3 h LYS 39 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1zx3 h LYS 39 Cb 0.17 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1zx3 h LYS 39 CO -0.07 0.33 0.08 0.00 -2.27 0.00 0.00 179.45 177.51 1zx3 h ALA 40 N 1.34 0.21 -0.36 5.00 0.00 -0.63 -0.37 119.26 124.46 1zx3 h ALA 40 Ca 0.27 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1zx3 h ALA 40 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1zx3 h ALA 40 CO -0.22 -0.22 -0.14 0.87 0.00 0.00 0.00 179.25 179.54 1zx3 h LYS 41 N 0.13 0.65 0.02 0.00 1.79 -0.08 0.32 116.57 119.41 1zx3 h LYS 41 Ca 0.06 -0.22 -0.21 0.00 -2.18 0.00 0.00 60.65 58.10 1zx3 h LYS 41 Cb 0.13 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1zx3 h LYS 41 CO -0.01 0.77 -0.98 1.03 -1.08 0.00 0.00 179.45 179.18 1zx3 h SER 42 N 0.59 0.13 -0.40 0.86 0.87 -0.24 -2.82 113.55 112.54 1zx3 h SER 42 Ca 0.10 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1zx3 h SER 42 Cb 0.59 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1zx3 h SER 42 CO 0.04 1.03 -0.04 1.56 -0.53 0.00 0.00 176.83 178.88 1zx3 h GLN 43 N 0.04 0.82 -0.00 2.24 4.20 -0.70 -1.70 115.11 120.01 1zx3 h GLN 43 Ca -0.04 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1zx3 h GLN 43 Cb 1.69 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1zx3 h GLN 43 CO 0.14 0.85 -0.01 0.39 -0.67 0.00 0.00 178.83 179.52 1zx3 n GLU 44 N -4.19 0.65 0.00 1.46 1.02 0.07 -4.35 120.64 115.30 1zx3 n GLU 44 Ca 0.02 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1zx3 n GLU 44 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1zx3 n GLU 44 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1zx3 n THR 45 N -1.14 0.00 -0.51 2.62 -1.04 -1.07 -5.03 114.28 108.12 1zx3 n THR 45 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1zx3 n THR 45 Cb 0.21 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 1zx3 n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zx3 n GLY 46 N 1.04 0.88 3.82 3.41 0.00 -0.64 -5.02 105.19 108.67 1zx3 n GLY 46 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1zx3 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zx3 s LYS 47 N -0.32 4.24 0.49 1.61 1.02 -1.26 -5.05 119.74 120.47 1zx3 s LYS 47 Ca 0.00 0.88 -0.23 0.00 0.02 0.00 0.00 55.97 56.64 1zx3 s LYS 47 Cb 0.00 -2.78 -0.08 0.00 -0.52 0.00 0.00 37.83 34.45 1zx3 s LYS 47 CO 0.00 0.33 1.17 0.39 -0.92 0.00 0.00 175.35 176.32 1zx3 n GLU 48 N 0.49 1.54 -0.05 1.68 -0.58 -1.26 -4.62 120.64 117.84 1zx3 n GLU 48 Ca -0.01 0.56 -0.08 0.00 -0.42 0.00 0.00 57.16 57.21 1zx3 n GLU 48 Cb 0.51 -2.31 -0.02 0.00 -0.57 0.00 0.00 31.44 29.06 1zx3 n GLU 48 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1zx3 h ILE 49 N 1.50 0.37 -0.24 -3.67 1.08 -1.96 -1.52 117.51 113.06 1zx3 h ILE 49 Ca -0.48 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 63.95 1zx3 h ILE 49 Cb 1.32 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1zx3 h ILE 49 CO 0.57 0.00 -0.02 0.77 -0.69 0.00 0.00 178.15 178.78 1zx3 h SER 50 N -0.25 0.34 -0.12 1.72 4.64 -1.99 0.75 113.55 118.64 1zx3 h SER 50 Ca 0.14 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1zx3 h SER 50 Cb 0.47 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1zx3 h SER 50 CO -0.40 0.41 -0.04 0.44 -0.87 0.00 0.00 176.83 176.37 1zx3 h ASP 51 N 0.36 0.25 -0.98 4.97 3.32 -1.90 -0.39 116.42 122.05 1zx3 h ASP 51 Ca 0.08 -0.39 0.09 0.00 0.02 0.00 0.00 57.03 56.84 1zx3 h ASP 51 Cb 0.27 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.67 1zx3 h ASP 51 CO 0.01 0.58 0.62 0.40 -1.72 0.00 0.00 179.24 179.12 1zx3 h ILE 52 N -0.09 0.99 0.22 0.35 2.04 -0.50 -1.73 117.51 118.79 1zx3 h ILE 52 Ca 0.03 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1zx3 h ILE 52 Cb 0.47 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1zx3 h ILE 52 CO 0.01 0.19 -0.10 0.15 0.00 0.00 0.00 178.15 178.40 1zx3 h PHE 53 N 1.04 -0.27 -0.68 1.37 3.04 -0.85 -1.40 116.94 119.19 1zx3 h PHE 53 Ca 0.46 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.54 1zx3 h PHE 53 Cb 0.34 0.09 -0.13 0.00 2.56 0.00 0.00 35.95 38.81 1zx3 h PHE 53 CO -0.01 0.08 -0.18 0.00 -2.02 0.00 0.00 178.31 176.17 1zx3 h ALA 54 N -0.58 0.42 -0.65 2.41 0.00 -1.07 0.55 119.26 120.34 1zx3 h ALA 54 Ca -0.03 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1zx3 h ALA 54 Cb 0.47 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1zx3 h ALA 54 CO 0.05 -0.43 0.14 -0.97 0.00 0.00 0.00 179.25 178.04 1zx3 h ASN 55 N -0.01 0.99 -0.51 0.00 -1.24 -1.31 -1.34 115.58 112.16 1zx3 h ASN 55 Ca 0.32 -0.21 -0.09 0.00 0.71 0.00 0.00 56.30 57.03 1zx3 h ASN 55 Cb 0.50 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 1zx3 h ASN 55 CO -0.70 0.96 -0.02 0.00 -1.29 0.00 0.00 177.43 176.37 1zx3 h ALA 56 N 1.16 0.93 -0.40 1.57 0.00 0.03 -1.64 119.26 120.90 1zx3 h ALA 56 Ca 0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1zx3 h ALA 56 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1zx3 h ALA 56 CO 0.00 0.64 0.09 0.28 0.00 0.00 0.00 179.25 180.26 1zx3 h VAL 57 N 0.87 1.19 0.03 0.00 2.07 0.84 -0.58 116.25 120.66 1zx3 h VAL 57 Ca 0.16 -0.67 -0.34 0.00 0.82 0.00 0.00 66.70 66.67 1zx3 h VAL 57 Cb 0.54 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1zx3 h VAL 57 CO 0.03 0.24 -2.03 1.21 0.02 0.00 0.00 177.57 177.04 1zx3 n GLU 58 N -4.32 0.68 0.14 1.57 2.13 -0.58 -1.48 120.64 118.77 1zx3 n GLU 58 Ca 0.02 0.20 -0.08 0.00 0.66 0.00 0.00 57.16 57.97 1zx3 n GLU 58 Cb 0.20 -1.68 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 1zx3 n GLU 58 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1zx3 h PHE 59 N 0.02 -0.40 0.00 4.31 -1.00 -1.39 0.01 116.94 118.49 1zx3 h PHE 59 Ca -0.42 -0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.26 1zx3 h PHE 59 Cb 2.06 0.13 -0.01 0.00 3.61 0.00 0.00 35.95 41.74 1zx3 h PHE 59 CO 0.02 -0.19 -0.45 -0.91 -1.61 0.00 0.00 178.31 175.17 1zx3 h ASN 60 N -1.08 0.00 0.00 2.17 2.35 -1.29 -2.87 115.58 114.86 1zx3 h ASN 60 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1zx3 h ASN 60 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1zx3 h ASN 60 CO 0.07 0.45 -0.43 -0.38 -1.65 0.00 0.00 177.43 175.49 1zx3 n ILE 61 N -3.33 0.84 -0.03 2.81 5.41 -1.15 -4.45 119.36 119.47 1zx3 n ILE 61 Ca 0.01 0.28 -0.17 0.00 1.00 0.00 0.00 62.75 63.87 1zx3 n ILE 61 Cb 0.65 -1.83 -0.07 0.00 -0.71 0.00 0.00 39.64 37.68 1zx3 n ILE 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1zx3 h VAL 62 N -0.43 1.29 -0.13 1.39 2.07 -1.30 -2.31 116.25 116.82 1zx3 h VAL 62 Ca 0.00 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 1zx3 h VAL 62 Cb 0.43 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1zx3 h VAL 62 CO 0.00 0.61 0.00 0.25 0.02 0.00 0.00 177.57 178.45 1zx3 h LEU 63 N 0.49 0.22 -0.47 2.57 5.85 -1.03 0.22 115.31 123.15 1zx3 h LEU 63 Ca -0.04 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.45 1zx3 h LEU 63 Cb 1.34 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 1zx3 h LEU 63 CO 0.15 0.46 0.14 0.50 -0.34 0.00 0.00 178.44 179.35 1zx3 h LYS 64 N -0.03 0.29 0.16 1.25 3.64 -1.55 0.43 116.57 120.76 1zx3 h LYS 64 Ca 0.04 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.11 1zx3 h LYS 64 Cb 0.35 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1zx3 h LYS 64 CO 0.01 0.19 -1.32 0.22 -2.27 0.00 0.00 179.45 176.28 1zx3 h ASP 65 N 0.29 0.53 0.18 4.20 3.58 -1.27 -3.38 116.42 120.57 1zx3 h ASP 65 Ca 0.23 -0.58 -0.12 0.00 0.42 0.00 0.00 57.03 56.98 1zx3 h ASP 65 Cb 0.26 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1zx3 h ASP 65 CO -0.26 1.45 -1.94 0.79 -2.88 0.00 0.00 179.24 176.41 1zx3 n TRP 66 N -3.58 0.22 -0.06 0.28 8.01 0.75 -5.10 117.44 117.97 1zx3 n TRP 66 Ca -0.11 0.07 0.01 0.00 -1.31 0.00 0.00 57.50 56.16 1zx3 n TRP 66 Cb 1.05 -0.76 -0.00 0.00 -2.01 0.00 0.00 31.31 29.59 1zx3 n TRP 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1zx3 n GLY 67 N 1.40 -2.36 0.26 6.99 0.00 0.15 -4.36 105.19 107.28 1zx3 n GLY 67 Ca -0.12 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.57 1zx3 n GLY 67 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1zx3 h LYS 68 N -0.05 0.00 0.03 1.61 2.10 -1.93 -2.92 116.57 115.40 1zx3 h LYS 68 Ca -0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1zx3 h LYS 68 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1zx3 h LYS 68 CO 0.00 0.13 -0.02 1.05 -2.00 0.00 0.00 179.45 178.62 1zx3 h GLU 69 N 0.00 -0.04 -0.25 0.07 9.09 -1.96 -2.39 114.58 119.10 1zx3 h GLU 69 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 1zx3 h GLU 69 Cb 0.47 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.56 1zx3 h GLU 69 CO 0.02 0.41 -0.11 -0.22 0.05 0.00 0.00 179.01 179.15 1zx3 h LYS 70 N -0.99 0.40 -0.26 1.06 3.64 -1.76 -0.51 116.57 118.16 1zx3 h LYS 70 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1zx3 h LYS 70 Cb 0.47 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1zx3 h LYS 70 CO 0.01 0.52 0.16 1.25 -2.27 0.00 0.00 179.45 179.12 1zx3 h LEU 71 N 0.38 0.31 -0.86 5.20 6.46 -1.60 -0.41 115.31 124.78 1zx3 h LEU 71 Ca 0.07 -0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.70 1zx3 h LEU 71 Cb 0.43 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1zx3 h LEU 71 CO 0.02 0.25 -0.25 -0.08 -0.62 0.00 0.00 178.44 177.76 1zx3 h GLU 72 N 0.34 0.56 -0.37 1.25 4.81 -0.91 -1.37 114.58 118.89 1zx3 h GLU 72 Ca 0.09 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 1zx3 h GLU 72 Cb -0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1zx3 h GLU 72 CO -0.02 0.76 -0.31 1.49 -0.73 0.00 0.00 179.01 180.21 1zx3 h GLU 73 N 0.49 0.80 0.17 1.92 4.81 -0.85 -0.16 114.58 121.76 1zx3 h GLU 73 Ca 0.07 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1zx3 h GLU 73 Cb 0.70 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1zx3 h GLU 73 CO 0.05 1.00 -0.08 1.15 -0.73 0.00 0.00 179.01 180.40 1zx3 h THR 74 N 0.68 0.95 -0.77 0.32 2.02 -0.63 -1.06 112.91 114.42 1zx3 h THR 74 Ca 0.07 -0.66 0.16 0.00 0.77 0.00 0.00 66.41 66.76 1zx3 h THR 74 Cb 0.85 1.35 -0.11 0.00 -1.74 0.00 0.00 68.15 68.50 1zx3 h THR 74 CO 0.07 0.15 0.27 0.78 0.37 0.00 0.00 175.52 177.16 1zx3 h ASN 75 N -0.55 0.19 -0.15 4.18 2.35 -1.25 -0.31 115.58 120.04 1zx3 h ASN 75 Ca -0.02 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1zx3 h ASN 75 Cb 0.42 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1zx3 h ASN 75 CO 0.04 0.03 0.03 0.74 -1.65 0.00 0.00 177.43 176.63 1zx3 h THR 76 N 0.37 1.20 -0.88 2.81 2.02 -0.90 -1.09 112.91 116.45 1zx3 h THR 76 Ca 0.44 -0.63 0.15 0.00 0.77 0.00 0.00 66.41 67.13 1zx3 h THR 76 Cb 0.73 1.35 -0.09 0.00 -1.74 0.00 0.00 68.15 68.39 1zx3 h THR 76 CO -0.46 0.19 0.48 -0.08 0.37 0.00 0.00 175.52 176.02 1zx3 h GLU 77 N 0.04 0.67 0.15 6.66 4.57 -0.12 0.22 114.58 126.78 1zx3 h GLU 77 Ca 0.05 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1zx3 h GLU 77 Cb 0.26 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1zx3 h GLU 77 CO 0.00 0.44 -0.07 -0.92 -1.18 0.00 0.00 179.01 177.28 1zx3 h TYR 78 N 0.69 -0.19 -0.87 0.92 3.20 -0.75 -0.75 116.97 119.22 1zx3 h TYR 78 Ca 0.48 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.57 1zx3 h TYR 78 Cb 0.65 0.06 -0.13 0.00 1.54 0.00 0.00 36.73 38.85 1zx3 h TYR 78 CO -0.07 0.20 0.29 1.96 -1.64 0.00 0.00 178.16 178.90 1zx3 h GLN 79 N -0.65 0.28 0.65 1.82 1.08 -0.78 0.22 115.11 117.72 1zx3 h GLN 79 Ca -0.02 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1zx3 h GLN 79 Cb 0.48 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1zx3 h GLN 79 CO 0.03 0.18 -0.31 -0.91 -0.95 0.00 0.00 178.83 176.88 1zx3 h ASN 80 N 0.28 -0.74 -0.91 1.46 4.21 -0.40 -1.56 115.58 117.93 1zx3 h ASN 80 Ca 0.54 0.01 0.10 0.00 1.21 0.00 0.00 56.30 58.17 1zx3 h ASN 80 Cb 1.06 0.19 -0.08 0.00 -1.12 0.00 0.00 38.32 38.38 1zx3 h ASN 80 CO -0.59 -0.50 0.55 1.56 -1.29 0.00 0.00 177.43 177.15 1zx3 h GLN 81 N -0.91 0.88 -0.35 0.81 4.20 0.30 -0.88 115.11 119.17 1zx3 h GLN 81 Ca -0.09 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.46 1zx3 h GLN 81 Cb 0.68 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1zx3 h GLN 81 CO 0.15 0.58 -0.22 1.96 -0.67 0.00 0.00 178.83 180.63 1zx3 h GLN 82 N 0.91 0.67 -0.40 1.46 1.08 -0.48 -1.00 115.11 117.35 1zx3 h GLN 82 Ca 0.44 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 57.31 1zx3 h GLN 82 Cb 0.39 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1zx3 h GLN 82 CO -0.25 0.83 -0.05 -0.09 -0.95 0.00 0.00 178.83 178.33 1zx3 h ARG 83 N 0.59 0.73 -0.42 1.46 2.43 -0.16 -1.10 114.38 117.92 1zx3 h ARG 83 Ca 0.09 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1zx3 h ARG 83 Cb 0.69 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1zx3 h ARG 83 CO 0.05 0.85 0.23 1.57 -1.51 0.00 0.00 179.97 181.16 1zx3 h LYS 84 N 0.55 0.58 -0.65 0.20 2.10 -0.87 -1.87 116.57 116.61 1zx3 h LYS 84 Ca 0.11 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1zx3 h LYS 84 Cb 0.55 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.73 1zx3 h LYS 84 CO 0.03 0.46 0.41 -0.07 -2.00 0.00 0.00 179.45 178.28 1zx3 h LEU 85 N 0.54 0.76 -0.27 7.07 3.38 -0.99 -0.13 115.31 125.67 1zx3 h LEU 85 Ca 0.15 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 1zx3 h LEU 85 Cb 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1zx3 h LEU 85 CO -0.02 0.58 -0.63 -0.09 0.09 0.00 0.00 178.44 178.36 1zx3 h ARG 86 N 0.89 0.81 -0.25 1.13 2.43 -0.93 -0.99 114.38 117.47 1zx3 h ARG 86 Ca 0.24 -0.57 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 1zx3 h ARG 86 Cb -0.06 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1zx3 h ARG 86 CO -0.05 1.19 0.05 -0.22 -1.51 0.00 0.00 179.97 179.44 1zx3 h LYS 87 N 0.60 0.41 -0.51 0.20 3.64 -0.58 0.50 116.57 120.84 1zx3 h LYS 87 Ca -0.01 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1zx3 h LYS 87 Cb 1.24 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1zx3 h LYS 87 CO 0.13 0.52 0.31 1.15 -2.27 0.00 0.00 179.45 179.29 1zx3 h THR 88 N 0.23 1.14 -0.04 1.00 2.02 -0.97 -0.51 112.91 115.79 1zx3 h THR 88 Ca 0.08 -0.31 -0.24 0.00 0.77 0.00 0.00 66.41 66.70 1zx3 h THR 88 Cb 0.30 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1zx3 h THR 88 CO 0.00 0.15 -0.94 0.22 0.37 0.00 0.00 175.52 175.32 1zx3 h TYR 89 N 0.70 0.92 -0.30 3.16 3.20 -0.97 -1.66 116.97 122.01 1zx3 h TYR 89 Ca 0.18 -0.47 -0.06 0.00 3.14 0.00 0.00 58.73 61.52 1zx3 h TYR 89 Cb -0.03 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1zx3 h TYR 89 CO 0.00 1.30 -0.06 0.82 -1.64 0.00 0.00 178.16 178.58 1zx3 h ILE 90 N 0.38 1.28 -0.17 1.81 2.04 -0.57 -1.94 117.51 120.34 1zx3 h ILE 90 Ca -0.09 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 1zx3 h ILE 90 Cb 1.58 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1zx3 h ILE 90 CO 0.18 0.34 0.04 1.05 0.00 0.00 0.00 178.15 179.76 1zx3 h GLU 91 N 0.33 0.27 -0.94 2.37 4.11 -1.16 -2.58 114.58 116.99 1zx3 h GLU 91 Ca 0.08 -0.06 0.19 0.00 0.07 0.00 0.00 59.36 59.63 1zx3 h GLU 91 Cb 0.53 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 1zx3 h GLU 91 CO 0.03 0.41 0.51 -0.92 0.07 0.00 0.00 179.01 179.11 1zx3 h TYR 92 N 0.08 0.89 -0.02 2.06 5.03 -1.28 -3.17 116.97 120.57 1zx3 h TYR 92 Ca 0.05 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1zx3 h TYR 92 Cb 0.26 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.29 1zx3 h TYR 92 CO 0.01 0.15 -0.03 0.66 -1.32 0.00 0.00 178.16 177.62 1zx3 n TYR 93 N -4.86 0.00 -0.75 -3.82 4.02 -0.73 -4.05 117.16 106.96 1zx3 n TYR 93 Ca 0.22 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.94 1zx3 n TYR 93 Cb 0.56 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.92 1zx3 n TYR 93 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1zx3 n ASP 94 N 0.52 5.90 0.00 7.72 5.68 -1.12 -5.07 116.55 130.18 1zx3 n ASP 94 Ca 0.16 -3.03 0.00 0.00 -0.50 0.00 0.00 54.79 51.43 1zx3 n ASP 94 Cb 0.44 -0.98 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 1zx3 n ASP 94 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76