#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvz s GLN 2 N 0.00 3.01 0.00 0.03 -1.52 -1.26 -5.08 119.66 114.84 1kvz s GLN 2 Ca 0.00 -0.54 0.00 0.00 -1.95 0.00 0.00 55.36 52.87 1kvz s GLN 2 Cb 0.00 -2.67 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 1kvz s GLN 2 CO 0.00 0.54 0.00 -0.25 -0.25 0.00 0.00 175.29 175.33 1kvz n ASP 3 N 2.59 0.89 0.26 5.90 8.00 -1.26 -4.79 116.55 128.14 1kvz n ASP 3 Ca -0.18 -0.98 -0.16 0.00 0.71 0.00 0.00 54.79 54.18 1kvz n ASP 3 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.55 1kvz n ASP 3 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1kvz h TRP 4 N 0.98 -0.96 -1.00 1.24 -0.00 -1.92 -2.38 115.95 111.91 1kvz h TRP 4 Ca 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 58.89 59.26 1kvz h TRP 4 Cb 0.00 0.36 -0.17 0.00 -0.00 0.00 0.00 29.16 29.36 1kvz h TRP 4 CO 0.00 -0.52 0.54 0.00 -0.00 0.00 0.00 178.44 178.46 1kvz h ALA 5 N -0.38 2.04 -0.05 2.65 0.00 -1.97 0.70 119.26 122.25 1kvz h ALA 5 Ca -0.04 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1kvz h ALA 5 Cb 0.69 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1kvz h ALA 5 CO -0.02 -0.77 -0.23 1.79 0.00 0.00 0.00 179.25 180.02 1kvz h THR 6 N 0.15 1.45 0.00 0.00 1.35 -1.89 -2.88 112.91 111.09 1kvz h THR 6 Ca 0.79 -1.67 -0.03 0.00 -0.55 0.00 0.00 66.41 64.95 1kvz h THR 6 Cb 1.96 2.39 -0.00 0.00 -1.73 0.00 0.00 68.15 70.76 1kvz h THR 6 CO -0.70 0.47 -0.15 0.15 -0.25 0.00 0.00 175.52 175.04 1kvz h PHE 7 N -0.29 0.00 -0.01 4.73 3.57 -0.03 0.15 116.94 125.05 1kvz h PHE 7 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1kvz h PHE 7 Cb 0.88 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 1kvz h PHE 7 CO 0.14 0.15 0.00 -0.22 -2.23 0.00 0.00 178.31 176.14 1kvz h LYS 8 N 0.00 0.01 0.00 1.11 3.64 0.30 0.12 116.57 121.76 1kvz h LYS 8 Ca -0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1kvz h LYS 8 Cb 0.28 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1kvz h LYS 8 CO 0.02 0.29 -0.02 0.87 -2.27 0.00 0.00 179.45 178.34 1kvz h LYS 9 N -0.27 0.00 0.00 1.90 1.57 -1.28 -1.81 116.57 116.68 1kvz h LYS 9 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1kvz h LYS 9 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1kvz h LYS 9 CO 0.00 0.02 -0.19 0.87 -0.57 0.00 0.00 179.45 179.58 1kvz h LYS 10 N 0.00 0.00 0.00 3.15 1.57 -0.52 -3.42 116.57 117.35 1kvz h LYS 10 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kvz h LYS 10 Cb 0.91 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1kvz h LYS 10 CO 0.00 0.22 -0.09 0.72 -0.57 0.00 0.00 179.45 179.74 1kvz n HIS 11 N -4.70 0.00 -4.03 -1.35 8.25 0.41 -4.62 115.22 109.18 1kvz n HIS 11 Ca -0.05 -1.07 -0.12 0.00 -0.26 0.00 0.00 57.72 56.22 1kvz n HIS 11 Cb 0.17 -0.17 -0.12 0.00 1.12 0.00 0.00 29.99 31.00 1kvz n HIS 11 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1kvz s LEU 12 N -2.91 2.22 0.19 2.41 1.02 -0.68 -0.79 118.68 120.14 1kvz s LEU 12 Ca 0.33 -0.47 -0.14 0.00 0.02 0.00 0.00 54.13 53.87 1kvz s LEU 12 Cb 0.29 -0.06 0.01 0.00 0.02 0.00 0.00 46.19 46.45 1kvz s LEU 12 CO 0.01 -0.21 0.44 0.42 0.02 0.00 0.00 176.35 177.03 1kvz s THR 13 N -1.24 0.04 -0.22 5.49 -4.23 -0.96 -4.40 115.64 110.11 1kvz s THR 13 Ca -0.11 -1.07 0.13 0.00 -1.18 0.00 0.00 61.69 59.46 1kvz s THR 13 Cb -0.09 -1.75 0.46 0.00 1.34 0.00 0.00 72.50 72.46 1kvz s THR 13 CO -0.00 -0.17 1.35 0.47 -0.54 0.00 0.00 174.62 175.73 1kvz n ASP 14 N -0.30 2.62 -3.66 3.99 8.00 -1.26 -3.78 116.55 122.16 1kvz n ASP 14 Ca -0.08 -3.51 -0.13 0.00 0.71 0.00 0.00 54.79 51.78 1kvz n ASP 14 Cb 0.62 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 41.09 1kvz n ASP 14 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1kvz s THR 15 N -3.09 -0.00 0.31 -3.53 2.01 -1.26 -5.04 115.64 105.05 1kvz s THR 15 Ca 0.41 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.45 1kvz s THR 15 Cb 0.36 -0.88 0.11 0.00 0.01 0.00 0.00 72.50 72.10 1kvz s THR 15 CO 0.01 0.00 1.80 -0.25 -0.69 0.00 0.00 174.62 175.49 1kvz h TRP 16 N 5.31 0.50 -3.46 4.92 7.01 -1.98 -3.38 115.95 124.88 1kvz h TRP 16 Ca -0.29 -0.08 -0.72 0.00 2.11 0.00 0.00 58.89 59.91 1kvz h TRP 16 Cb 1.17 -0.13 -0.25 0.00 -2.10 0.00 0.00 29.16 27.85 1kvz h TRP 16 CO 0.37 0.60 -0.44 -0.51 -2.79 0.00 0.00 178.44 175.66 1kvz s ASP 17 N -6.79 5.83 0.29 2.65 1.01 -1.26 -4.67 116.67 113.73 1kvz s ASP 17 Ca -0.07 -1.25 0.07 0.00 0.71 0.00 0.00 52.55 52.01 1kvz s ASP 17 Cb 0.15 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.98 1kvz s ASP 17 CO 0.77 -0.51 0.23 -0.69 0.21 0.00 0.00 175.17 175.18 1kvz s VAL 18 N 1.54 4.01 -0.66 -1.27 1.01 -1.26 -5.08 120.40 118.69 1kvz s VAL 18 Ca 0.03 -1.41 -0.15 0.00 0.00 0.00 0.00 61.98 60.45 1kvz s VAL 18 Cb -0.22 -3.29 0.17 0.00 0.00 0.00 0.00 36.38 33.04 1kvz s VAL 18 CO 0.05 -0.27 0.61 -1.81 0.00 0.00 0.00 175.10 173.68 1kvz s ASP 19 N -3.90 6.41 0.18 3.32 1.01 -1.26 -4.93 116.67 117.50 1kvz s ASP 19 Ca 0.36 -2.17 -0.13 0.00 0.71 0.00 0.00 52.55 51.33 1kvz s ASP 19 Cb -0.07 -2.21 0.17 0.00 1.01 0.00 0.00 42.92 41.82 1kvz s ASP 19 CO 0.25 -0.74 1.75 0.00 0.21 0.00 0.00 175.17 176.65 1kvz n ASP 21 N -4.99 0.04 -0.02 0.00 5.68 -1.26 -1.47 116.55 114.53 1kvz n ASP 21 Ca 0.05 0.51 -0.05 0.00 -0.50 0.00 0.00 54.79 54.81 1kvz n ASP 21 Cb 0.19 -0.52 -0.13 0.00 -1.14 0.00 0.00 41.12 39.52 1kvz n ASP 21 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1kvz n ASN 22 N -1.55 0.58 -0.03 -1.12 2.85 -0.37 -4.23 115.26 111.39 1kvz n ASN 22 Ca 0.02 0.27 0.01 0.00 -0.11 0.00 0.00 54.58 54.76 1kvz n ASN 22 Cb 0.09 0.44 -0.14 0.00 1.24 0.00 0.00 39.78 41.40 1kvz n ASN 22 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1kvz n LEU 23 N -2.86 0.18 0.12 1.20 4.32 -0.97 -4.46 117.00 114.54 1kvz n LEU 23 Ca -0.18 0.08 -0.02 0.00 -0.02 0.00 0.00 56.01 55.88 1kvz n LEU 23 Cb 0.97 0.20 0.12 0.00 -1.62 0.00 0.00 43.42 43.09 1kvz n LEU 23 CO 0.44 0.21 0.43 0.00 -1.22 0.00 0.00 177.39 177.25 1kvz h MET 24 N 0.00 0.00 0.00 3.23 -0.00 -1.46 -3.25 114.93 113.45 1kvz h MET 24 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.46 1kvz h MET 24 Cb 1.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.18 1kvz h MET 24 CO 0.02 0.68 0.00 -0.35 -0.00 0.00 0.00 176.91 177.26 1kvz n PRO 25 N -3.66 0.95 -2.50 -0.10 -0.04 -1.26 0.15 135.00 128.55 1kvz n PRO 25 Ca -0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 1kvz n PRO 25 Cb 0.68 -1.21 0.10 0.00 -0.04 0.00 0.00 33.50 33.04 1kvz n PRO 25 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1kvz n THR 26 N -0.71 0.00 0.83 0.52 -1.04 -1.23 -4.80 114.28 107.85 1kvz n THR 26 Ca 0.09 -1.52 0.13 0.00 -2.04 0.00 0.00 64.05 60.72 1kvz n THR 26 Cb 0.04 -0.87 0.42 0.00 -1.82 0.00 0.00 70.33 68.10 1kvz n THR 26 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1kvz n SER 27 N -2.83 0.43 0.09 8.00 7.64 -1.26 0.93 113.62 126.62 1kvz n SER 27 Ca 0.15 0.32 -0.13 0.00 1.01 0.00 0.00 58.87 60.23 1kvz n SER 27 Cb 0.55 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 63.31 1kvz n SER 27 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1kvz h LEU 28 N 0.00 0.32 0.00 -3.43 5.85 -1.93 -3.38 115.31 112.74 1kvz h LEU 28 Ca 0.00 -0.32 -0.15 0.00 0.84 0.00 0.00 57.88 58.25 1kvz h LEU 28 Cb 0.61 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1kvz h LEU 28 CO 0.00 1.22 -1.58 0.49 -0.34 0.00 0.00 178.44 178.23 1kvz n PHE 29 N -3.53 0.00 -3.77 1.25 3.72 -1.23 -5.03 117.46 108.86 1kvz n PHE 29 Ca -0.06 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.03 1kvz n PHE 29 Cb 0.96 -0.39 0.02 0.00 -0.94 0.00 0.00 39.48 39.13 1kvz n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1kvz n ASP 30 N -2.80 -5.08 -3.87 4.37 2.03 0.27 -1.41 116.55 110.06 1kvz n ASP 30 Ca -0.18 -0.99 -0.27 0.00 0.52 0.00 0.00 54.79 53.87 1kvz n ASP 30 Cb 0.69 -2.50 0.02 0.00 -0.72 0.00 0.00 41.12 38.61 1kvz n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kvz n LYS 32 N -4.48 -4.05 -0.02 0.00 2.85 -0.50 -5.00 118.16 106.96 1kvz n LYS 32 Ca -0.12 -1.20 -0.00 0.00 -1.05 0.00 0.00 58.31 55.94 1kvz n LYS 32 Cb 0.60 -1.64 -0.00 0.00 -0.65 0.00 0.00 35.03 33.33 1kvz n LYS 32 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1kvz h ASP 33 N -3.36 0.00 -4.93 -5.58 3.32 -1.92 -3.46 116.42 100.49 1kvz h ASP 33 Ca -0.32 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.73 1kvz h ASP 33 Cb 1.09 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.52 1kvz h ASP 33 CO 0.19 0.16 0.27 -1.59 -1.72 0.00 0.00 179.24 176.55 1kvz s LYS 34 N -1.19 1.20 -0.12 3.56 0.00 -1.26 -2.12 119.74 119.81 1kvz s LYS 34 Ca -0.01 -0.45 -0.17 0.00 0.00 0.00 0.00 55.97 55.34 1kvz s LYS 34 Cb 0.00 0.55 0.04 0.00 0.00 0.00 0.00 37.83 38.42 1kvz s LYS 34 CO 0.01 -0.53 0.45 1.21 0.00 0.00 0.00 175.35 176.49 1kvz s ASN 35 N -2.70 -0.43 -0.23 0.03 3.84 -0.87 -4.97 114.94 109.60 1kvz s ASN 35 Ca 0.02 0.70 -0.07 0.00 0.21 0.00 0.00 52.86 53.72 1kvz s ASN 35 Cb -0.01 0.75 -0.03 0.00 -0.55 0.00 0.00 41.25 41.41 1kvz s ASN 35 CO -0.12 -0.28 0.06 -0.89 -2.79 0.00 0.00 177.10 173.08 1kvz s THR 36 N -0.30 4.35 0.22 -5.21 2.01 -1.26 -0.28 115.64 115.18 1kvz s THR 36 Ca -0.05 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 61.83 1kvz s THR 36 Cb -0.03 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1kvz s THR 36 CO 0.03 0.37 0.35 -0.36 -0.69 0.00 0.00 174.62 174.32 1kvz s PHE 37 N 1.31 3.46 -0.07 4.92 0.08 -0.28 -4.50 117.98 122.91 1kvz s PHE 37 Ca 0.05 0.02 -0.01 0.00 0.12 0.00 0.00 56.93 57.11 1kvz s PHE 37 Cb -0.15 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1kvz s PHE 37 CO 0.03 0.45 -0.01 0.42 -0.10 0.00 0.00 175.22 176.01 1kvz s ILE 38 N -1.94 4.21 -1.03 0.64 -1.09 0.03 -1.65 121.20 120.37 1kvz s ILE 38 Ca 0.34 -0.35 -0.13 0.00 -2.23 0.00 0.00 60.65 58.28 1kvz s ILE 38 Cb -0.09 -2.79 0.21 0.00 -1.58 0.00 0.00 42.46 38.21 1kvz s ILE 38 CO 0.29 0.56 1.12 -0.47 -1.23 0.00 0.00 174.94 175.20 1kvz s TYR 39 N -0.92 3.73 0.18 3.97 5.04 -0.80 -2.27 117.35 126.28 1kvz s TYR 39 Ca 0.15 -2.13 -0.24 0.00 -2.44 0.00 0.00 57.07 52.41 1kvz s TYR 39 Cb -0.11 -4.04 0.05 0.00 0.35 0.00 0.00 41.96 38.21 1kvz s TYR 39 CO 0.04 -1.18 0.85 0.45 -1.34 0.00 0.00 175.55 174.37 1kvz s SER 40 N 2.36 -0.25 0.46 4.32 0.15 -1.25 -4.69 113.70 114.81 1kvz s SER 40 Ca 0.31 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 56.51 1kvz s SER 40 Cb -0.07 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.77 1kvz s SER 40 CO -0.06 -1.03 0.74 -0.76 1.20 0.00 0.00 173.24 173.33 1kvz s LEU 41 N -2.88 3.68 0.23 3.45 1.43 -1.26 -4.57 118.68 118.76 1kvz s LEU 41 Ca 0.10 0.79 0.25 0.00 -1.03 0.00 0.00 54.13 54.25 1kvz s LEU 41 Cb -0.03 -3.71 0.88 0.00 0.03 0.00 0.00 46.19 43.36 1kvz s LEU 41 CO 0.02 -0.56 1.75 -0.81 0.23 0.00 0.00 176.35 176.99 1kvz n PRO 42 N -2.18 0.24 0.18 1.29 -0.04 -1.26 -2.45 135.00 130.78 1kvz n PRO 42 Ca -0.00 0.30 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1kvz n PRO 42 Cb 0.56 -1.84 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1kvz n PRO 42 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1kvz h GLY 43 N 3.65 -0.55 1.95 0.55 0.00 -1.97 -0.67 103.07 106.03 1kvz h GLY 43 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 47.33 47.39 1kvz h GLY 43 CO 0.00 -0.20 -0.66 -0.56 0.00 0.00 0.00 176.54 175.12 1kvz h PRO 44 N -1.05 0.05 0.14 4.80 0.13 -1.98 0.90 132.00 134.99 1kvz h PRO 44 Ca -0.05 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1kvz h PRO 44 Cb 0.50 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1kvz h PRO 44 CO 0.09 0.69 -0.07 0.28 -0.23 0.00 0.00 178.00 178.76 1kvz h VAL 45 N 0.03 1.00 0.00 1.56 2.07 -1.58 -2.84 116.25 116.50 1kvz h VAL 45 Ca -0.01 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1kvz h VAL 45 Cb 1.17 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1kvz h VAL 45 CO 0.09 0.22 -0.15 0.50 0.02 0.00 0.00 177.57 178.25 1kvz h LYS 46 N -0.69 0.00 -0.87 1.57 3.64 -1.14 -2.06 116.57 117.02 1kvz h LYS 46 Ca -0.02 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1kvz h LYS 46 Cb 0.51 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1kvz h LYS 46 CO 0.03 0.15 0.57 0.00 -2.27 0.00 0.00 179.45 177.93 1kvz h ALA 47 N 1.85 1.51 -0.47 5.00 0.00 -0.58 0.26 119.26 126.84 1kvz h ALA 47 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1kvz h ALA 47 Cb 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1kvz h ALA 47 CO 0.02 0.37 0.19 -0.07 0.00 0.00 0.00 179.25 179.75 1kvz h LEU 48 N 1.02 0.61 -0.03 0.00 3.38 -1.19 -0.82 115.31 118.28 1kvz h LEU 48 Ca 0.37 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 1kvz h LEU 48 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1kvz h LEU 48 CO -0.13 0.55 -0.17 0.00 0.09 0.00 0.00 178.44 178.78 1kvz n ARG 50 N -3.14 0.57 0.00 0.00 0.63 0.68 -0.58 116.66 114.82 1kvz n ARG 50 Ca 0.03 -0.64 0.00 0.00 -0.92 0.00 0.00 57.85 56.32 1kvz n ARG 50 Cb 0.60 -3.39 0.00 0.00 0.45 0.00 0.00 32.46 30.11 1kvz n ARG 50 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1kvz n GLY 51 N 6.57 1.04 3.81 5.14 0.00 -1.26 -5.01 105.19 115.48 1kvz n GLY 51 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 1kvz n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kvz s VAL 52 N 0.00 4.33 0.00 1.61 1.01 0.25 -4.94 120.40 122.66 1kvz s VAL 52 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1kvz s VAL 52 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1kvz s VAL 52 CO 0.00 -0.15 0.00 -0.38 0.00 0.00 0.00 175.10 174.57 1kvz n ILE 53 N -0.20 0.00 -2.89 2.22 -0.00 -1.26 -0.96 119.36 116.27 1kvz n ILE 53 Ca 0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.61 1kvz n ILE 53 Cb 0.53 -0.35 0.03 0.00 -0.00 0.00 0.00 39.64 39.85 1kvz n ILE 53 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 1kvz s PHE 54 N -1.60 2.47 -0.28 1.39 0.08 -1.26 -1.27 117.98 117.52 1kvz s PHE 54 Ca 0.00 -0.36 -0.29 0.00 0.12 0.00 0.00 56.93 56.40 1kvz s PHE 54 Cb 0.00 -2.49 -0.00 0.00 -0.57 0.00 0.00 43.02 39.96 1kvz s PHE 54 CO 0.00 -0.77 1.36 -1.54 -0.10 0.00 0.00 175.22 174.17 1kvz s SER 55 N -4.46 6.63 0.04 1.36 1.04 -1.23 -3.64 113.70 113.44 1kvz s SER 55 Ca 0.58 1.31 0.01 0.00 0.48 0.00 0.00 55.95 58.33 1kvz s SER 55 Cb -0.09 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 1kvz s SER 55 CO 0.36 -1.10 -0.06 0.00 0.98 0.00 0.00 173.24 173.42 1kvz s ALA 56 N 4.48 0.48 -0.33 5.32 0.00 -0.01 -4.90 121.76 126.81 1kvz s ALA 56 Ca 0.59 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 1kvz s ALA 56 Cb -0.18 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1kvz s ALA 56 CO 0.24 -0.08 0.30 -0.51 0.00 0.00 0.00 175.76 175.71 1kvz s ASP 57 N -1.69 6.13 -0.04 0.00 1.11 -1.26 -0.30 116.67 120.63 1kvz s ASP 57 Ca -0.10 -0.21 0.04 0.00 0.18 0.00 0.00 52.55 52.47 1kvz s ASP 57 Cb -0.08 -2.17 -0.03 0.00 1.07 0.00 0.00 42.92 41.71 1kvz s ASP 57 CO -0.01 -0.25 -0.16 -0.69 1.18 0.00 0.00 175.17 175.25 1kvz s VAL 58 N 1.89 2.93 -0.20 -1.27 1.01 0.14 -4.90 120.40 120.01 1kvz s VAL 58 Ca 0.10 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1kvz s VAL 58 Cb -0.17 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1kvz s VAL 58 CO 0.11 0.57 -0.05 -0.76 0.00 0.00 0.00 175.10 174.97 1kvz s LEU 59 N -0.79 2.95 -0.10 3.92 1.43 -1.26 -0.91 118.68 123.92 1kvz s LEU 59 Ca 0.12 -0.33 -0.32 0.00 -1.03 0.00 0.00 54.13 52.57 1kvz s LEU 59 Cb -0.11 -1.73 -0.10 0.00 0.03 0.00 0.00 46.19 44.28 1kvz s LEU 59 CO 0.01 0.04 2.00 -1.54 0.23 0.00 0.00 176.35 177.09 1kvz n SER 60 N 4.38 3.49 0.14 2.29 3.41 -0.92 -4.83 113.62 121.58 1kvz n SER 60 Ca -0.18 0.77 0.01 0.00 -0.26 0.00 0.00 58.87 59.20 1kvz n SER 60 Cb 0.51 -1.43 0.31 0.00 -0.26 0.00 0.00 64.21 63.34 1kvz n SER 60 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1kvz h ASN 61 N 10.93 0.12 -3.11 4.04 4.21 -1.97 -3.41 115.58 126.39 1kvz h ASN 61 Ca -0.46 -0.04 -0.61 0.00 1.21 0.00 0.00 56.30 56.40 1kvz h ASN 61 Cb 1.26 -0.03 -0.09 0.00 -1.12 0.00 0.00 38.32 38.34 1kvz h ASN 61 CO 0.96 0.48 -0.38 -0.44 -1.29 0.00 0.00 177.43 176.76 1kvz s SER 62 N -6.90 6.43 0.09 5.81 0.01 -1.26 -5.01 113.70 112.86 1kvz s SER 62 Ca -0.04 0.50 -0.30 0.00 1.31 0.00 0.00 55.95 57.42 1kvz s SER 62 Cb 0.14 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 1kvz s SER 62 CO 0.74 0.21 0.96 -1.61 0.41 0.00 0.00 173.24 173.96 1kvz s GLU 63 N -0.08 4.68 0.43 12.44 2.02 -1.26 -4.67 118.70 132.26 1kvz s GLU 63 Ca 0.15 1.45 0.07 0.00 0.02 0.00 0.00 54.97 56.66 1kvz s GLU 63 Cb -0.13 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 1kvz s GLU 63 CO 0.04 0.17 0.13 -0.06 0.02 0.00 0.00 175.26 175.56 1kvz s PHE 64 N 0.15 2.48 0.39 1.61 0.08 -1.02 -4.76 117.98 116.90 1kvz s PHE 64 Ca 0.48 -0.65 -0.25 0.00 0.12 0.00 0.00 56.93 56.62 1kvz s PHE 64 Cb -0.23 -1.88 -0.09 0.00 -0.57 0.00 0.00 43.02 40.25 1kvz s PHE 64 CO 0.30 0.23 1.10 0.71 -0.10 0.00 0.00 175.22 177.45 1kvz s TYR 65 N -2.66 3.23 -0.16 0.36 1.51 -1.26 -2.43 117.35 115.94 1kvz s TYR 65 Ca 0.36 1.62 0.00 0.00 -1.01 0.00 0.00 57.07 58.04 1kvz s TYR 65 Cb 0.05 -3.24 0.03 0.00 -0.11 0.00 0.00 41.96 38.69 1kvz s TYR 65 CO 0.20 -0.87 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.16 1kvz s LEU 66 N -2.44 1.70 -0.55 -1.29 1.43 0.84 -1.91 118.68 116.46 1kvz s LEU 66 Ca 0.56 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 1kvz s LEU 66 Cb -0.26 -1.06 0.13 0.00 0.03 0.00 0.00 46.19 45.03 1kvz s LEU 66 CO 0.33 -0.12 0.51 0.00 0.23 0.00 0.00 176.35 177.30 1kvz s ALA 67 N 1.55 3.65 0.32 4.21 0.00 -0.66 -1.75 121.76 129.08 1kvz s ALA 67 Ca 0.03 -2.54 0.07 0.00 0.00 0.00 0.00 51.96 49.51 1kvz s ALA 67 Cb -0.14 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1kvz s ALA 67 CO -0.09 -2.03 0.40 -1.83 0.00 0.00 0.00 175.76 172.21 1kvz s GLU 68 N 1.61 3.02 -0.27 0.00 -1.05 -0.29 -1.13 118.70 120.59 1kvz s GLU 68 Ca 0.03 -1.08 0.01 0.00 -0.15 0.00 0.00 54.97 53.79 1kvz s GLU 68 Cb -0.30 -2.71 0.08 0.00 -0.44 0.00 0.00 34.13 30.76 1kvz s GLU 68 CO 0.03 0.11 -0.00 0.00 0.95 0.00 0.00 175.26 176.35 1kvz s ASN 70 N 1.33 5.39 -0.27 0.00 3.04 -0.60 -2.05 114.94 121.78 1kvz s ASN 70 Ca 0.01 -0.08 -0.22 0.00 0.04 0.00 0.00 52.86 52.61 1kvz s ASN 70 Cb -0.19 -1.95 -0.01 0.00 -1.54 0.00 0.00 41.25 37.56 1kvz s ASN 70 CO -0.10 0.05 0.70 -0.69 -3.04 0.00 0.00 177.10 174.02 1kvz s VAL 71 N 1.12 4.91 0.13 -5.21 1.01 -0.90 -0.50 120.40 120.96 1kvz s VAL 71 Ca 0.05 1.21 -0.33 0.00 0.00 0.00 0.00 61.98 62.90 1kvz s VAL 71 Cb -0.14 -4.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.09 1kvz s VAL 71 CO 0.03 -0.07 1.72 1.17 0.00 0.00 0.00 175.10 177.96 1kvz n LYS 72 N 5.89 2.46 -1.72 2.72 3.00 -0.90 -4.96 118.16 124.65 1kvz n LYS 72 Ca 0.02 0.89 -0.31 0.00 -0.00 0.00 0.00 58.31 58.91 1kvz n LYS 72 Cb 0.48 -2.72 0.05 0.00 0.00 0.00 0.00 35.03 32.84 1kvz n LYS 72 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1kvz s PRO 73 N 1.89 2.88 -1.18 1.64 0.04 -1.26 -3.95 135.00 135.05 1kvz s PRO 73 Ca 0.81 0.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 1kvz s PRO 73 Cb -0.59 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1kvz s PRO 73 CO 0.38 -1.08 0.26 0.54 0.04 0.00 0.00 177.00 177.15 1kvz n ARG 74 N -3.08 -2.57 -3.83 4.56 5.12 -1.26 -4.97 116.66 110.62 1kvz n ARG 74 Ca 0.07 0.68 -0.07 0.00 -1.93 0.00 0.00 57.85 56.60 1kvz n ARG 74 Cb 0.55 -5.01 0.01 0.00 -1.16 0.00 0.00 32.46 26.86 1kvz n ARG 74 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1kvz s LYS 75 N -5.11 1.87 0.00 5.56 1.02 -1.25 -5.18 119.74 116.64 1kvz s LYS 75 Ca 0.13 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1kvz s LYS 75 Cb -0.06 0.55 0.00 0.00 -0.52 0.00 0.00 37.83 37.81 1kvz s LYS 75 CO 0.16 -0.87 0.00 -0.35 -0.92 0.00 0.00 175.35 173.37 1kvz n PRO 76 N -0.54 0.34 -1.05 -1.68 -0.04 -1.26 -4.81 135.00 125.95 1kvz n PRO 76 Ca -0.06 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 1kvz n PRO 76 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.03 1kvz n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kvz s LYS 78 N 2.66 3.70 0.23 0.00 1.02 -1.26 -5.02 119.74 121.07 1kvz s LYS 78 Ca 0.57 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 56.34 1kvz s LYS 78 Cb 0.15 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 1kvz s LYS 78 CO -0.05 -0.49 0.39 0.71 -0.92 0.00 0.00 175.35 175.00 1kvz s TYR 79 N 2.12 3.48 0.07 3.18 1.51 -1.26 -2.12 117.35 124.32 1kvz s TYR 79 Ca 0.14 0.20 0.05 0.00 -1.01 0.00 0.00 57.07 56.46 1kvz s TYR 79 Cb -0.16 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1kvz s TYR 79 CO 0.12 0.37 -0.15 0.21 -1.11 0.00 0.00 175.55 174.99 1kvz s LYS 80 N -3.67 0.87 -0.15 -0.62 2.20 0.34 -4.92 119.74 113.79 1kvz s LYS 80 Ca 0.37 -0.95 -0.08 0.00 -0.36 0.00 0.00 55.97 54.94 1kvz s LYS 80 Cb -0.10 -0.92 -0.04 0.00 -1.51 0.00 0.00 37.83 35.26 1kvz s LYS 80 CO 0.30 0.21 0.14 -1.17 -0.36 0.00 0.00 175.35 174.47 1kvz s LEU 81 N -1.68 4.33 -0.02 5.43 0.20 -1.26 -1.56 118.68 124.12 1kvz s LEU 81 Ca -0.00 0.39 -0.01 0.00 0.69 0.00 0.00 54.13 55.20 1kvz s LEU 81 Cb -0.10 -2.08 0.01 0.00 -0.43 0.00 0.00 46.19 43.59 1kvz s LEU 81 CO 0.02 0.33 0.03 -0.54 -0.29 0.00 0.00 176.35 175.90 1kvz s LYS 82 N -0.53 0.01 0.04 1.98 -0.14 -0.99 -4.98 119.74 115.12 1kvz s LYS 82 Ca 0.13 0.10 0.03 0.00 -1.36 0.00 0.00 55.97 54.87 1kvz s LYS 82 Cb -0.12 -0.08 -0.04 0.00 -1.68 0.00 0.00 37.83 35.91 1kvz s LYS 82 CO 0.02 -0.07 0.00 -1.59 -0.76 0.00 0.00 175.35 172.96 1kvz s LYS 83 N 0.42 2.70 0.36 1.68 0.00 -1.26 -1.14 119.74 122.50 1kvz s LYS 83 Ca -0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 55.97 55.10 1kvz s LYS 83 Cb -0.05 -2.62 0.04 0.00 0.00 0.00 0.00 37.83 35.19 1kvz s LYS 83 CO -0.01 0.59 0.70 0.45 0.00 0.00 0.00 175.35 177.08 1kvz s SER 84 N -1.86 0.16 -0.16 0.03 0.15 -0.72 -4.93 113.70 106.37 1kvz s SER 84 Ca 0.22 -1.14 -0.03 0.00 0.70 0.00 0.00 55.95 55.70 1kvz s SER 84 Cb -0.12 0.79 0.05 0.00 -1.71 0.00 0.00 66.02 65.03 1kvz s SER 84 CO 0.14 -1.54 0.05 -0.44 1.20 0.00 0.00 173.24 172.64 1kvz s SER 85 N -3.08 2.47 0.12 5.45 0.01 -1.26 -0.11 113.70 117.29 1kvz s SER 85 Ca 0.18 -0.61 -0.25 0.00 1.31 0.00 0.00 55.95 56.58 1kvz s SER 85 Cb -0.04 -0.45 0.08 0.00 0.21 0.00 0.00 66.02 65.82 1kvz s SER 85 CO 0.13 -0.30 1.06 0.21 0.41 0.00 0.00 173.24 174.74 1kvz s ASN 86 N 1.97 -0.09 0.67 2.44 2.47 -1.02 -4.88 114.94 116.50 1kvz s ASN 86 Ca 0.01 -0.43 -0.00 0.00 0.42 0.00 0.00 52.86 52.86 1kvz s ASN 86 Cb -0.16 0.42 0.12 0.00 -1.45 0.00 0.00 41.25 40.18 1kvz s ASN 86 CO -0.08 -0.79 0.81 -2.11 -3.72 0.00 0.00 177.10 171.21 1kvz n ARG 87 N -0.56 0.02 -3.76 0.43 0.00 -1.26 -2.45 116.66 109.08 1kvz n ARG 87 Ca -0.05 -2.20 -0.13 0.00 -0.00 0.00 0.00 57.85 55.47 1kvz n ARG 87 Cb 0.61 -0.54 -0.11 0.00 -0.00 0.00 0.00 32.46 32.42 1kvz n ARG 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1kvz s ILE 88 N -2.46 0.01 -0.35 8.89 -4.36 -1.26 -2.66 121.20 119.00 1kvz s ILE 88 Ca 0.54 -0.06 -0.15 0.00 -0.26 0.00 0.00 60.65 60.72 1kvz s ILE 88 Cb -0.03 -0.47 -0.01 0.00 1.25 0.00 0.00 42.46 43.20 1kvz s ILE 88 CO 0.36 -0.03 0.33 0.00 0.24 0.00 0.00 174.94 175.84 1kvz s ILE 90 N 1.93 2.52 -0.31 0.00 -4.36 -0.09 0.05 121.20 120.94 1kvz s ILE 90 Ca 0.10 -1.90 -0.13 0.00 -0.26 0.00 0.00 60.65 58.46 1kvz s ILE 90 Cb -0.17 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 1kvz s ILE 90 CO 0.11 -0.08 0.24 -0.60 0.24 0.00 0.00 174.94 174.86 1kvz s ARG 91 N -2.60 3.70 0.04 0.37 3.52 0.82 -0.69 118.95 124.13 1kvz s ARG 91 Ca 0.21 -0.45 0.08 0.00 -0.13 0.00 0.00 55.73 55.43 1kvz s ARG 91 Cb -0.08 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 1kvz s ARG 91 CO 0.10 -0.35 -0.20 0.00 -0.81 0.00 0.00 175.30 174.05 1kvz s GLU 93 N -1.39 0.72 -1.47 0.00 -1.05 -0.63 -0.83 118.70 114.06 1kvz s GLU 93 Ca 0.14 1.02 -0.00 0.00 -0.15 0.00 0.00 54.97 55.97 1kvz s GLU 93 Cb -0.10 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1kvz s GLU 93 CO 0.04 -0.12 0.06 0.72 0.95 0.00 0.00 175.26 176.92 1kvz n HIS 94 N 3.38 -0.92 -3.43 4.83 8.25 -0.40 -1.30 115.22 125.63 1kvz n HIS 94 Ca -0.17 0.05 -0.21 0.00 -0.26 0.00 0.00 57.72 57.13 1kvz n HIS 94 Cb 0.57 -3.54 0.07 0.00 1.12 0.00 0.00 29.99 28.20 1kvz n HIS 94 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1kvz n GLU 95 N -2.77 -6.92 -3.66 -0.41 4.71 -0.13 -4.96 120.64 106.51 1kvz n GLU 95 Ca -0.19 0.75 -0.25 0.00 -0.01 0.00 0.00 57.16 57.46 1kvz n GLU 95 Cb 0.65 -5.54 -0.17 0.00 -1.01 0.00 0.00 31.44 25.37 1kvz n GLU 95 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1kvz s LEU 96 N -6.61 0.46 -0.98 -4.62 2.96 -0.42 -4.67 118.68 104.80 1kvz s LEU 96 Ca 0.50 -0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 53.72 1kvz s LEU 96 Cb -0.22 -0.30 0.05 0.00 0.50 0.00 0.00 46.19 46.22 1kvz s LEU 96 CO 0.62 -0.31 1.41 -2.16 -1.32 0.00 0.00 176.35 174.59 1kvz s PRO 97 N 2.08 3.54 0.14 0.98 0.04 -1.26 -1.60 135.00 138.92 1kvz s PRO 97 Ca 0.02 -1.05 0.22 0.00 0.04 0.00 0.00 61.00 60.23 1kvz s PRO 97 Cb -0.15 -5.19 -0.10 0.00 0.04 0.00 0.00 34.50 29.11 1kvz s PRO 97 CO -0.07 -2.18 0.88 1.33 0.04 0.00 0.00 177.00 177.00 1kvz n VAL 98 N 6.75 0.49 -4.49 -0.36 0.24 -0.78 -4.57 118.33 115.60 1kvz n VAL 98 Ca 0.29 -0.55 -0.21 0.00 -2.04 0.00 0.00 64.34 61.84 1kvz n VAL 98 Cb 0.51 -0.27 -0.15 0.00 -1.47 0.00 0.00 33.84 32.46 1kvz n VAL 98 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1kvz s HIS 99 N -3.38 1.04 -0.48 6.34 3.76 -1.22 -4.60 115.29 116.75 1kvz s HIS 99 Ca -0.03 -0.22 -0.22 0.00 -0.15 0.00 0.00 55.06 54.45 1kvz s HIS 99 Cb 0.11 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 33.15 1kvz s HIS 99 CO 0.82 -0.04 0.74 0.12 -0.85 0.00 0.00 174.74 175.53 1kvz s PHE 100 N -0.15 2.98 0.08 1.40 5.36 -1.26 -0.12 117.98 126.26 1kvz s PHE 100 Ca 0.02 -0.08 -0.17 0.00 -0.96 0.00 0.00 56.93 55.74 1kvz s PHE 100 Cb -0.06 -3.63 -0.10 0.00 -0.34 0.00 0.00 43.02 38.89 1kvz s PHE 100 CO -0.00 -1.04 1.41 0.00 -1.46 0.00 0.00 175.22 174.13 1kvz h ALA 101 N 9.02 0.34 0.00 11.12 0.00 -0.69 -3.48 119.26 135.57 1kvz h ALA 101 Ca -0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1kvz h ALA 101 Cb 1.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1kvz h ALA 101 CO 0.97 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.89 1kvz n GLY 102 N 0.10 -0.88 3.27 0.00 0.00 -0.66 -4.96 105.19 102.05 1kvz n GLY 102 Ca -0.04 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 1kvz n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kvz s VAL 103 N -3.00 1.66 0.00 1.61 0.11 -1.26 -0.30 120.40 119.22 1kvz s VAL 103 Ca 0.00 -1.44 0.00 0.00 -2.93 0.00 0.00 61.98 57.61 1kvz s VAL 103 Cb 0.00 -1.50 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 1kvz s VAL 103 CO 0.00 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1kvz n GLY 104 N 1.30 1.76 3.68 6.54 0.00 -1.09 -4.77 105.19 112.60 1kvz n GLY 104 Ca -0.19 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1kvz n GLY 104 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1kvz s ILE 105 N 0.00 2.94 -0.33 -0.61 -4.36 -1.26 -4.76 121.20 112.82 1kvz s ILE 105 Ca 0.00 -1.84 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 1kvz s ILE 105 Cb 0.00 -2.88 0.08 0.00 1.25 0.00 0.00 42.46 40.91 1kvz s ILE 105 CO 0.00 -0.22 0.04 0.00 0.24 0.00 0.00 174.94 175.00