#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 4.42 0.00 0.03 1.11 -1.26 -5.04 119.66 118.91 1kvz s GLN 2 Ca 0.00 1.09 0.00 0.00 0.01 0.00 0.00 55.36 56.46 1kvz s GLN 2 Cb 0.00 -2.86 0.00 0.00 -1.01 0.00 0.00 33.01 29.14 1kvz s GLN 2 CO 0.00 0.35 0.00 -0.25 0.01 0.00 0.00 175.29 175.40 1kvz n ASP 3 N 0.68 0.00 -0.32 5.90 9.92 -1.26 -4.78 116.55 126.70 1kvz n ASP 3 Ca -0.01 -0.91 0.14 0.00 -0.53 0.00 0.00 54.79 53.48 1kvz n ASP 3 Cb 0.50 0.00 0.37 0.00 -0.64 0.00 0.00 41.12 41.35 1kvz n ASP 3 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 1kvz h TRP 4 N 0.91 0.91 -0.16 1.24 -0.00 -1.88 -0.45 115.95 116.52 1kvz h TRP 4 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.92 1kvz h TRP 4 Cb 0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 28.87 1kvz h TRP 4 CO 0.00 0.25 0.09 0.00 -0.00 0.00 0.00 178.44 178.78 1kvz h ALA 5 N 1.62 0.20 -0.39 2.65 0.00 -1.96 0.32 119.26 121.69 1kvz h ALA 5 Ca 0.53 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.36 1kvz h ALA 5 Cb 0.90 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1kvz h ALA 5 CO -0.29 -0.34 -0.03 1.15 0.00 0.00 0.00 179.25 179.74 1kvz h THR 6 N 0.19 1.27 -0.00 0.00 2.02 -1.65 -2.37 112.91 112.36 1kvz h THR 6 Ca 0.06 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 1kvz h THR 6 Cb -0.00 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1kvz h THR 6 CO -0.03 0.36 -0.10 0.15 0.37 0.00 0.00 175.52 176.27 1kvz h PHE 7 N 0.53 0.00 0.01 3.16 3.57 -0.84 0.22 116.94 123.59 1kvz h PHE 7 Ca 0.11 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1kvz h PHE 7 Cb 0.52 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1kvz h PHE 7 CO 0.04 0.10 -0.01 -0.22 -2.23 0.00 0.00 178.31 175.99 1kvz h LYS 8 N 0.00 -0.02 0.00 1.11 3.64 0.16 0.23 116.57 121.70 1kvz h LYS 8 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1kvz h LYS 8 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1kvz h LYS 8 CO 0.01 0.12 -0.05 0.87 -2.27 0.00 0.00 179.45 178.14 1kvz h LYS 9 N -0.16 0.00 0.00 1.90 1.57 -1.28 -1.78 116.57 116.83 1kvz h LYS 9 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1kvz h LYS 9 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1kvz h LYS 9 CO 0.00 0.00 -0.45 0.87 -0.57 0.00 0.00 179.45 179.30 1kvz h LYS 10 N 0.00 0.00 0.00 3.15 1.57 -0.26 -3.42 116.57 117.60 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 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1kvz h LYS 10 CO 0.00 0.67 -0.02 0.72 -0.57 0.00 0.00 179.45 180.25 1kvz n HIS 11 N -4.59 0.00 -4.86 -1.35 8.25 0.79 -4.09 115.22 109.37 1kvz n HIS 11 Ca -0.14 -0.55 -0.28 0.00 -0.26 0.00 0.00 57.72 56.49 1kvz n HIS 11 Cb 0.42 -0.07 -0.17 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.30 1.85 0.08 2.41 1.43 -0.67 -1.06 118.68 121.43 1kvz s LEU 12 Ca 0.07 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1kvz s LEU 12 Cb 0.06 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 1kvz s LEU 12 CO 0.01 0.09 0.15 0.42 0.23 0.00 0.00 176.35 177.25 1kvz s THR 13 N 0.54 0.16 -0.22 5.49 -4.23 -0.97 -4.44 115.64 111.96 1kvz s THR 13 Ca -0.16 -1.28 0.13 0.00 -1.18 0.00 0.00 61.69 59.20 1kvz s THR 13 Cb -0.17 -1.36 0.48 0.00 1.34 0.00 0.00 72.50 72.79 1kvz s THR 13 CO 0.06 -0.71 1.39 0.47 -0.54 0.00 0.00 174.62 175.29 1kvz n ASP 14 N -0.02 2.92 -3.67 3.99 9.92 -1.26 -4.15 116.55 124.29 1kvz n ASP 14 Ca -0.15 -3.41 -0.14 0.00 -0.53 0.00 0.00 54.79 50.56 1kvz n ASP 14 Cb 0.62 -0.57 -0.08 0.00 -0.64 0.00 0.00 41.12 40.45 1kvz n ASP 14 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1kvz s THR 15 N -3.04 0.00 0.15 -3.53 2.01 -1.26 -5.04 115.64 104.93 1kvz s THR 15 Ca 0.41 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.27 1kvz s THR 15 Cb 0.36 -0.81 -0.00 0.00 0.01 0.00 0.00 72.50 72.06 1kvz s THR 15 CO 0.03 -0.02 1.54 -0.25 -0.69 0.00 0.00 174.62 175.23 1kvz h TRP 16 N 4.84 1.11 -3.48 4.92 7.01 -1.97 -3.39 115.95 124.98 1kvz h TRP 16 Ca -0.28 -0.27 -0.70 0.00 2.11 0.00 0.00 58.89 59.75 1kvz h TRP 16 Cb 1.17 -0.26 -0.19 0.00 -2.10 0.00 0.00 29.16 27.78 1kvz h TRP 16 CO 0.40 1.09 -0.18 0.34 -2.79 0.00 0.00 178.44 177.30 1kvz s ASP 17 N -6.68 6.20 0.26 2.65 2.15 -1.26 -4.55 116.67 115.44 1kvz s ASP 17 Ca -0.12 -0.76 0.06 0.00 0.43 0.00 0.00 52.55 52.17 1kvz s ASP 17 Cb 0.12 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.48 1kvz s ASP 17 CO 0.86 -0.63 0.31 -0.69 -0.17 0.00 0.00 175.17 174.85 1kvz s VAL 18 N 2.17 4.66 -0.78 1.11 1.01 -1.26 -5.06 120.40 122.25 1kvz s VAL 18 Ca 0.12 -1.18 -0.16 0.00 0.00 0.00 0.00 61.98 60.76 1kvz s VAL 18 Cb -0.18 -3.58 0.17 0.00 0.00 0.00 0.00 36.38 32.79 1kvz s VAL 18 CO 0.13 -0.30 0.82 -1.81 0.00 0.00 0.00 175.10 173.94 1kvz s ASP 19 N -3.95 6.58 0.08 3.32 1.01 -1.26 -4.90 116.67 117.54 1kvz s ASP 19 Ca 0.36 -2.23 -0.19 0.00 0.71 0.00 0.00 52.55 51.19 1kvz s ASP 19 Cb -0.08 -2.27 -0.09 0.00 1.01 0.00 0.00 42.92 41.49 1kvz s ASP 19 CO 0.28 -0.81 1.56 0.00 0.21 0.00 0.00 175.17 176.40 1kvz h ASP 21 N 0.16 0.00 0.19 0.00 3.32 -1.91 0.15 116.42 118.34 1kvz h ASP 21 Ca 0.07 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.80 1kvz h ASP 21 Cb 0.30 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.89 1kvz h ASP 21 CO 0.00 0.00 -1.37 -1.13 -1.72 0.00 0.00 179.24 175.03 1kvz h ASN 22 N 0.00 0.87 0.54 6.45 -0.00 -1.91 -3.35 115.58 118.18 1kvz h ASN 22 Ca 0.00 -0.87 -0.16 0.00 -0.00 0.00 0.00 56.30 55.27 1kvz h ASN 22 Cb 0.22 -0.28 -0.03 0.00 -0.00 0.00 0.00 38.32 38.24 1kvz h ASN 22 CO 0.00 1.67 -1.59 0.18 -0.00 0.00 0.00 177.43 177.69 1kvz n LEU 23 N -3.76 0.63 -0.22 0.34 7.99 -1.07 -4.40 117.00 116.51 1kvz n LEU 23 Ca -0.15 0.27 0.02 0.00 -0.01 0.00 0.00 56.01 56.14 1kvz n LEU 23 Cb 1.05 0.11 0.12 0.00 -0.11 0.00 0.00 43.42 44.59 1kvz n LEU 23 CO 0.60 0.14 0.86 -0.03 -1.51 0.00 0.00 177.39 177.45 1kvz h MET 24 N 0.00 0.16 0.00 3.23 4.05 -0.83 -0.74 114.93 120.80 1kvz h MET 24 Ca -0.18 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 1kvz h MET 24 Cb 1.55 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.31 1kvz h MET 24 CO 0.03 0.10 0.00 -0.35 0.23 0.00 0.00 176.91 176.93 1kvz n PRO 25 N -5.24 0.74 -1.56 0.39 -0.04 -1.26 0.11 135.00 128.13 1kvz n PRO 25 Ca 0.10 0.01 -0.24 0.00 -0.04 0.00 0.00 63.50 63.33 1kvz n PRO 25 Cb 0.38 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.06 0.00 0.80 0.52 -1.04 -0.28 -4.69 114.28 108.52 1kvz n THR 26 Ca 0.18 -0.80 0.13 0.00 -2.04 0.00 0.00 64.05 61.52 1kvz n THR 26 Cb 0.12 -1.60 0.44 0.00 -1.82 0.00 0.00 70.33 67.47 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 -3.70 0.46 0.07 8.00 7.64 -1.26 0.66 113.62 125.49 1kvz n SER 27 Ca 0.14 0.41 -0.21 0.00 1.01 0.00 0.00 58.87 60.21 1kvz n SER 27 Cb 0.47 -0.46 -0.14 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.66 0.02 -3.43 5.85 -1.92 -3.38 115.31 113.11 1kvz h LEU 28 Ca 0.00 -0.88 -0.40 0.00 0.84 0.00 0.00 57.88 57.44 1kvz h LEU 28 Cb 0.62 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1kvz h LEU 28 CO 0.00 1.48 -2.41 0.49 -0.34 0.00 0.00 178.44 177.66 1kvz n PHE 29 N -3.99 0.18 -4.16 1.25 3.01 -1.24 -4.96 117.46 107.55 1kvz n PHE 29 Ca -0.14 0.04 -0.35 0.00 1.01 0.00 0.00 57.45 58.02 1kvz n PHE 29 Cb 0.89 -1.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.32 1kvz n PHE 29 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1kvz n ASP 30 N -3.47 -3.42 -3.06 4.37 2.03 0.21 0.40 116.55 113.61 1kvz n ASP 30 Ca -0.45 -0.97 -0.20 0.00 0.52 0.00 0.00 54.79 53.69 1kvz n ASP 30 Cb 0.97 -2.96 0.07 0.00 -0.72 0.00 0.00 41.12 38.49 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 -4.23 -2.65 -0.06 0.00 5.02 0.16 -4.98 118.16 111.43 1kvz n LYS 32 Ca 0.00 -0.54 -0.07 0.00 -2.02 0.00 0.00 58.31 55.69 1kvz n LYS 32 Cb 0.55 -0.74 -0.06 0.00 -0.02 0.00 0.00 35.03 34.76 1kvz n LYS 32 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1kvz h ASP 33 N -2.55 0.00 -4.88 4.39 3.32 -1.94 -3.44 116.42 111.32 1kvz h ASP 33 Ca -0.15 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1kvz h ASP 33 Cb 0.49 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.89 1kvz h ASP 33 CO 0.09 0.77 0.28 -1.59 -1.72 0.00 0.00 179.24 177.07 1kvz s LYS 34 N -1.91 1.11 0.09 3.56 -2.85 -1.26 -1.12 119.74 117.37 1kvz s LYS 34 Ca -0.10 -0.26 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 1kvz s LYS 34 Cb -0.01 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 1kvz s LYS 34 CO 0.31 -0.45 -0.02 -0.80 0.10 0.00 0.00 175.35 174.49 1kvz s ASN 35 N -2.29 0.72 -0.09 0.03 -0.87 0.06 -4.94 114.94 107.55 1kvz s ASN 35 Ca -0.01 -1.06 0.00 0.00 -1.57 0.00 0.00 52.86 50.22 1kvz s ASN 35 Cb -0.01 0.18 0.02 0.00 -0.02 0.00 0.00 41.25 41.42 1kvz s ASN 35 CO -0.07 -0.58 -0.08 -0.89 -2.57 0.00 0.00 177.10 172.91 1kvz s THR 36 N -3.83 0.94 0.09 1.60 2.01 -1.26 -0.04 115.64 115.15 1kvz s THR 36 Ca 0.14 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.89 1kvz s THR 36 Cb 0.07 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1kvz s THR 36 CO -0.05 0.34 0.12 -0.36 -0.69 0.00 0.00 174.62 173.98 1kvz s PHE 37 N 1.41 3.25 -0.09 4.92 0.08 -0.31 -3.92 117.98 123.32 1kvz s PHE 37 Ca -0.01 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 1kvz s PHE 37 Cb -0.13 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1kvz s PHE 37 CO -0.04 0.53 -0.02 0.42 -0.10 0.00 0.00 175.22 176.01 1kvz s ILE 38 N -1.48 4.07 -1.14 0.64 -1.09 -0.22 -1.60 121.20 120.40 1kvz s ILE 38 Ca 0.31 -0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 58.31 1kvz s ILE 38 Cb -0.12 -2.71 0.26 0.00 -1.58 0.00 0.00 42.46 38.31 1kvz s ILE 38 CO 0.24 0.58 1.24 0.00 -1.23 0.00 0.00 174.94 175.77 1kvz n TYR 39 N 2.41 4.80 -3.87 3.97 9.36 -0.35 -2.30 117.16 131.18 1kvz n TYR 39 Ca -0.18 -3.63 -0.09 0.00 3.32 0.00 0.00 57.90 57.32 1kvz n TYR 39 Cb 0.53 -1.74 0.00 0.00 -0.63 0.00 0.00 39.34 37.50 1kvz n TYR 39 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1kvz s SER 40 N 1.16 0.04 0.29 2.98 0.15 -1.26 -4.46 113.70 112.61 1kvz s SER 40 Ca 0.33 -1.04 -0.04 0.00 0.70 0.00 0.00 55.95 55.90 1kvz s SER 40 Cb -0.06 0.78 -0.05 0.00 -1.71 0.00 0.00 66.02 64.98 1kvz s SER 40 CO -0.04 -1.53 0.55 -0.76 1.20 0.00 0.00 173.24 172.66 1kvz s LEU 41 N -3.05 4.06 0.02 3.45 1.43 -1.26 -4.67 118.68 118.66 1kvz s LEU 41 Ca 0.17 0.68 0.25 0.00 -1.03 0.00 0.00 54.13 54.19 1kvz s LEU 41 Cb -0.04 -3.50 1.04 0.00 0.03 0.00 0.00 46.19 43.71 1kvz s LEU 41 CO 0.11 -0.20 1.79 -0.81 0.23 0.00 0.00 176.35 177.47 1kvz n PRO 42 N -1.01 0.02 0.11 1.29 -0.04 -1.26 -2.50 135.00 131.62 1kvz n PRO 42 Ca -0.02 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 1kvz n PRO 42 Cb 0.54 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 4.21 -0.37 2.00 0.55 0.00 -1.97 -2.15 103.07 105.33 1kvz h GLY 43 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 1kvz h GLY 43 CO 0.00 -0.13 -0.58 -0.56 0.00 0.00 0.00 176.54 175.27 1kvz h PRO 44 N -1.02 0.00 0.05 4.80 0.13 -1.99 -1.74 132.00 132.22 1kvz h PRO 44 Ca -0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1kvz h PRO 44 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1kvz h PRO 44 CO 0.06 0.58 -0.02 0.28 -0.23 0.00 0.00 178.00 178.66 1kvz h VAL 45 N 0.00 1.32 0.00 1.56 2.07 -1.61 -3.15 116.25 116.44 1kvz h VAL 45 Ca -0.01 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 1kvz h VAL 45 Cb 1.31 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1kvz h VAL 45 CO 0.07 0.36 -0.18 0.50 0.02 0.00 0.00 177.57 178.35 1kvz h LYS 46 N -0.77 0.00 -0.37 1.57 3.64 -1.47 -2.39 116.57 116.78 1kvz h LYS 46 Ca -0.01 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1kvz h LYS 46 Cb 0.64 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1kvz h LYS 46 CO 0.01 0.18 0.26 0.00 -2.27 0.00 0.00 179.45 177.63 1kvz h ALA 47 N 1.82 2.17 -0.37 5.00 0.00 -1.27 0.41 119.26 127.03 1kvz h ALA 47 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1kvz h ALA 47 Cb 0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1kvz h ALA 47 CO 0.02 -0.26 0.19 -0.07 0.00 0.00 0.00 179.25 179.13 1kvz h LEU 48 N 0.14 0.44 0.00 0.00 4.07 -1.46 -0.96 115.31 117.54 1kvz h LEU 48 Ca 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1kvz h LEU 48 Cb 0.51 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1kvz h LEU 48 CO -0.02 0.37 -0.04 0.00 -1.08 0.00 0.00 178.44 177.67 1kvz n ARG 50 N -1.52 0.63 0.00 0.00 0.00 -0.37 -0.40 116.66 115.00 1kvz n ARG 50 Ca 0.07 -0.47 0.00 0.00 -0.00 0.00 0.00 57.85 57.45 1kvz n ARG 50 Cb 0.34 -3.26 0.00 0.00 0.00 0.00 0.00 32.46 29.54 1kvz n ARG 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kvz n GLY 51 N 6.43 1.26 3.67 5.14 0.00 -1.26 -5.09 105.19 115.33 1kvz n GLY 51 Ca 0.47 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.46 4.23 -0.15 1.61 1.01 0.46 -4.88 120.40 122.21 1kvz s VAL 52 Ca 0.00 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.50 1kvz s VAL 52 Cb 0.00 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1kvz s VAL 52 CO 0.00 -0.09 -0.13 -0.38 0.00 0.00 0.00 175.10 174.50 1kvz n ILE 53 N 5.14 0.87 -3.61 2.22 2.08 -1.26 -0.21 119.36 124.58 1kvz n ILE 53 Ca 0.13 -0.33 -0.22 0.00 0.56 0.00 0.00 62.75 62.89 1kvz n ILE 53 Cb 0.45 -1.03 -0.01 0.00 -0.75 0.00 0.00 39.64 38.29 1kvz n ILE 53 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 1kvz s PHE 54 N -2.30 2.26 -0.07 1.39 -0.12 -1.26 -1.03 117.98 116.84 1kvz s PHE 54 Ca -0.20 -0.62 -0.29 0.00 -0.05 0.00 0.00 56.93 55.76 1kvz s PHE 54 Cb 0.05 -2.10 -0.06 0.00 -0.63 0.00 0.00 43.02 40.28 1kvz s PHE 54 CO 0.35 -0.33 1.79 -1.12 -0.05 0.00 0.00 175.22 175.86 1kvz s SER 55 N -4.23 6.44 0.10 1.98 0.01 -1.23 -3.87 113.70 112.90 1kvz s SER 55 Ca 0.45 2.22 -0.03 0.00 1.31 0.00 0.00 55.95 59.90 1kvz s SER 55 Cb -0.03 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 1kvz s SER 55 CO 0.27 -1.12 0.08 0.00 0.41 0.00 0.00 173.24 172.88 1kvz s ALA 56 N 4.76 0.41 -0.23 1.44 0.00 0.44 -4.91 121.76 123.67 1kvz s ALA 56 Ca 0.80 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 1kvz s ALA 56 Cb -0.34 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1kvz s ALA 56 CO 0.33 -0.47 0.28 0.16 0.00 0.00 0.00 175.76 176.07 1kvz s ASP 57 N -2.95 6.26 0.28 0.00 -4.77 -1.26 0.06 116.67 114.28 1kvz s ASP 57 Ca 0.13 0.29 0.10 0.00 -3.30 0.00 0.00 52.55 49.77 1kvz s ASP 57 Cb 0.07 -2.17 -0.05 0.00 -1.09 0.00 0.00 42.92 39.68 1kvz s ASP 57 CO -0.05 -0.02 -0.05 -0.69 0.70 0.00 0.00 175.17 175.06 1kvz s VAL 58 N 1.27 3.10 -0.01 2.11 1.01 0.14 -4.94 120.40 123.07 1kvz s VAL 58 Ca 0.13 -2.04 0.04 0.00 0.00 0.00 0.00 61.98 60.11 1kvz s VAL 58 Cb -0.14 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1kvz s VAL 58 CO 0.07 -0.36 -0.13 -0.76 0.00 0.00 0.00 175.10 173.92 1kvz s LEU 59 N -3.64 2.02 0.41 3.92 1.43 -1.26 -1.02 118.68 120.54 1kvz s LEU 59 Ca 0.32 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 52.92 1kvz s LEU 59 Cb -0.05 -0.68 -0.10 0.00 0.03 0.00 0.00 46.19 45.38 1kvz s LEU 59 CO 0.19 0.16 1.17 -1.54 0.23 0.00 0.00 176.35 176.56 1kvz n SER 60 N 2.77 2.07 0.05 2.29 3.41 -0.48 -4.87 113.62 118.85 1kvz n SER 60 Ca -0.14 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1kvz n SER 60 Cb 0.55 -1.44 0.32 0.00 -0.26 0.00 0.00 64.21 63.38 1kvz n SER 60 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1kvz h ASN 61 N 1.90 0.37 -5.05 4.04 -0.73 -1.97 -3.45 115.58 110.69 1kvz h ASN 61 Ca -0.46 -0.08 -0.10 0.00 1.87 0.00 0.00 56.30 57.53 1kvz h ASN 61 Cb 1.31 -0.10 -0.17 0.00 0.27 0.00 0.00 38.32 39.63 1kvz h ASN 61 CO 0.59 0.51 -0.27 -0.44 -0.37 0.00 0.00 177.43 177.45 1kvz s SER 62 N -6.81 -0.11 0.30 1.15 0.01 -1.26 -5.13 113.70 101.84 1kvz s SER 62 Ca -0.06 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 1kvz s SER 62 Cb 0.15 0.34 -0.10 0.00 0.21 0.00 0.00 66.02 66.62 1kvz s SER 62 CO 0.75 -0.59 1.39 -1.83 0.41 0.00 0.00 173.24 173.37 1kvz s GLU 63 N -2.43 4.29 0.42 12.44 -1.05 -1.26 -4.70 118.70 126.41 1kvz s GLU 63 Ca -0.06 2.30 0.06 0.00 -0.15 0.00 0.00 54.97 57.12 1kvz s GLU 63 Cb -0.01 -3.07 -0.07 0.00 -0.44 0.00 0.00 34.13 30.53 1kvz s GLU 63 CO -0.03 -0.33 0.02 -0.06 0.95 0.00 0.00 175.26 175.81 1kvz s PHE 64 N -0.64 2.45 0.41 4.83 0.08 -1.03 -4.70 117.98 119.38 1kvz s PHE 64 Ca 0.54 -0.70 -0.24 0.00 0.12 0.00 0.00 56.93 56.65 1kvz s PHE 64 Cb -0.41 -1.77 -0.09 0.00 -0.57 0.00 0.00 43.02 40.18 1kvz s PHE 64 CO 0.50 0.41 1.09 0.71 -0.10 0.00 0.00 175.22 177.83 1kvz s TYR 65 N -2.72 3.16 -0.09 0.36 2.02 -1.26 -2.37 117.35 116.44 1kvz s TYR 65 Ca 0.32 1.61 0.00 0.00 -0.37 0.00 0.00 57.07 58.63 1kvz s TYR 65 Cb 0.09 -3.22 0.02 0.00 -0.40 0.00 0.00 41.96 38.45 1kvz s TYR 65 CO 0.17 -0.92 -0.08 -0.51 -1.57 0.00 0.00 175.55 172.64 1kvz s LEU 66 N -2.69 1.26 -0.52 -1.29 1.43 0.81 -1.21 118.68 116.47 1kvz s LEU 66 Ca 0.59 -0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 53.32 1kvz s LEU 66 Cb -0.25 -0.78 0.13 0.00 0.03 0.00 0.00 46.19 45.33 1kvz s LEU 66 CO 0.31 -0.08 0.40 0.00 0.23 0.00 0.00 176.35 177.21 1kvz s ALA 67 N 1.43 3.49 0.33 4.21 0.00 -0.62 -2.13 121.76 128.46 1kvz s ALA 67 Ca -0.01 -2.68 0.07 0.00 0.00 0.00 0.00 51.96 49.34 1kvz s ALA 67 Cb -0.13 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1kvz s ALA 67 CO -0.05 -1.97 0.39 -1.83 0.00 0.00 0.00 175.76 172.31 1kvz s GLU 68 N 1.12 2.97 -0.13 0.00 -1.05 -0.80 -1.16 118.70 119.65 1kvz s GLU 68 Ca 0.08 -1.12 0.02 0.00 -0.15 0.00 0.00 54.97 53.80 1kvz s GLU 68 Cb -0.24 -2.68 0.01 0.00 -0.44 0.00 0.00 34.13 30.78 1kvz s GLU 68 CO -0.02 0.10 -0.19 0.00 0.95 0.00 0.00 175.26 176.10 1kvz s ASN 70 N 0.88 4.17 -0.29 0.00 0.02 -0.87 -0.76 114.94 118.08 1kvz s ASN 70 Ca -0.07 -1.27 -0.29 0.00 -1.02 0.00 0.00 52.86 50.21 1kvz s ASN 70 Cb -0.15 -1.44 -0.02 0.00 0.02 0.00 0.00 41.25 39.65 1kvz s ASN 70 CO -0.02 -0.19 1.73 -0.69 0.02 0.00 0.00 177.10 177.96 1kvz s VAL 71 N 1.20 3.55 0.52 1.60 1.01 -0.28 -1.87 120.40 126.13 1kvz s VAL 71 Ca -0.07 0.58 -0.23 0.00 0.00 0.00 0.00 61.98 62.26 1kvz s VAL 71 Cb -0.19 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1kvz s VAL 71 CO -0.06 -0.38 1.38 -0.54 0.00 0.00 0.00 175.10 175.50 1kvz s LYS 72 N 5.31 3.26 0.43 2.72 1.02 -0.70 -4.97 119.74 126.80 1kvz s LYS 72 Ca 0.77 2.29 -0.22 0.00 0.02 0.00 0.00 55.97 58.83 1kvz s LYS 72 Cb -0.23 -2.35 -0.10 0.00 -0.52 0.00 0.00 37.83 34.63 1kvz s LYS 72 CO 0.33 -1.12 0.98 -1.25 -0.92 0.00 0.00 175.35 173.37 1kvz s PRO 73 N -2.80 4.15 -1.13 -1.68 0.04 -1.26 -3.66 135.00 128.67 1kvz s PRO 73 Ca 0.69 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1kvz s PRO 73 Cb -0.42 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1kvz s PRO 73 CO 0.50 -0.11 0.00 0.54 0.04 0.00 0.00 177.00 177.97 1kvz n ARG 74 N -0.51 -1.01 -4.26 4.56 1.74 -1.26 -5.02 116.66 110.91 1kvz n ARG 74 Ca 0.07 0.66 -0.19 0.00 -0.77 0.00 0.00 57.85 57.61 1kvz n ARG 74 Cb 0.53 -4.85 -0.13 0.00 -1.02 0.00 0.00 32.46 26.99 1kvz n ARG 74 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1kvz s LYS 75 N -4.47 0.88 -1.07 5.56 1.02 -1.24 -5.05 119.74 115.36 1kvz s LYS 75 Ca 0.00 -0.86 -0.16 0.00 0.02 0.00 0.00 55.97 54.97 1kvz s LYS 75 Cb 0.00 -0.89 -0.08 0.00 -0.52 0.00 0.00 37.83 36.34 1kvz s LYS 75 CO 0.00 0.21 2.13 -0.35 -0.92 0.00 0.00 175.35 176.42 1kvz n PRO 76 N 1.58 2.19 -3.27 -1.68 -0.04 -1.26 -4.36 135.00 128.15 1kvz n PRO 76 Ca -0.20 -2.05 -0.15 0.00 -0.04 0.00 0.00 63.50 61.07 1kvz n PRO 76 Cb 0.54 -2.95 0.08 0.00 -0.04 0.00 0.00 33.50 31.13 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 -4.93 4.01 0.10 0.00 1.02 -1.26 -5.00 119.74 113.69 1kvz s LYS 78 Ca 0.16 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 55.85 1kvz s LYS 78 Cb -0.02 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1kvz s LYS 78 CO 0.69 0.17 0.24 0.71 -0.92 0.00 0.00 175.35 176.24 1kvz s TYR 79 N 0.68 3.48 -0.05 3.18 2.02 -1.26 -1.72 117.35 123.68 1kvz s TYR 79 Ca 0.05 0.18 0.06 0.00 -0.37 0.00 0.00 57.07 56.99 1kvz s TYR 79 Cb -0.13 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 1kvz s TYR 79 CO 0.01 0.55 -0.24 0.21 -1.57 0.00 0.00 175.55 174.52 1kvz s LYS 80 N -2.85 2.41 -0.09 -0.62 2.20 -0.78 -4.89 119.74 115.12 1kvz s LYS 80 Ca 0.34 -0.87 -0.24 0.00 -0.36 0.00 0.00 55.97 54.85 1kvz s LYS 80 Cb -0.12 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.10 1kvz s LYS 80 CO 0.28 0.37 0.72 -1.17 -0.36 0.00 0.00 175.35 175.19 1kvz s LEU 81 N -0.17 4.28 -0.03 5.43 0.20 -1.26 -2.06 118.68 125.08 1kvz s LEU 81 Ca -0.03 1.17 0.05 0.00 0.69 0.00 0.00 54.13 56.01 1kvz s LEU 81 Cb -0.13 -3.10 -0.01 0.00 -0.43 0.00 0.00 46.19 42.52 1kvz s LEU 81 CO 0.03 -0.17 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.20 1kvz s LYS 82 N 1.08 1.64 -0.04 1.98 -0.14 -0.97 -4.99 119.74 118.29 1kvz s LYS 82 Ca 0.37 -0.64 0.05 0.00 -1.36 0.00 0.00 55.97 54.39 1kvz s LYS 82 Cb -0.17 -1.51 -0.02 0.00 -1.68 0.00 0.00 37.83 34.45 1kvz s LYS 82 CO 0.17 0.33 -0.18 -1.59 -0.76 0.00 0.00 175.35 173.32 1kvz s LYS 83 N -0.24 2.41 0.34 1.68 -2.85 -1.26 -1.91 119.74 117.92 1kvz s LYS 83 Ca 0.02 -0.77 -0.14 0.00 -1.00 0.00 0.00 55.97 54.08 1kvz s LYS 83 Cb -0.09 -2.27 0.03 0.00 -2.06 0.00 0.00 37.83 33.44 1kvz s LYS 83 CO 0.01 0.58 0.67 -1.54 0.10 0.00 0.00 175.35 175.17 1kvz s SER 84 N -0.64 0.14 -0.18 0.03 1.04 -0.91 -4.95 113.70 108.23 1kvz s SER 84 Ca 0.10 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.39 1kvz s SER 84 Cb -0.11 0.76 0.08 0.00 0.10 0.00 0.00 66.02 66.85 1kvz s SER 84 CO 0.00 -1.48 0.17 -0.55 0.98 0.00 0.00 173.24 172.37 1kvz s SER 85 N -3.07 1.64 0.10 7.02 0.15 -1.26 -0.13 113.70 118.14 1kvz s SER 85 Ca 0.19 -0.30 -0.26 0.00 0.70 0.00 0.00 55.95 56.27 1kvz s SER 85 Cb -0.04 0.17 0.08 0.00 -1.71 0.00 0.00 66.02 64.52 1kvz s SER 85 CO 0.12 -0.33 0.95 0.21 1.20 0.00 0.00 173.24 175.39 1kvz s ASN 86 N 2.26 -0.23 0.69 5.45 2.47 -1.00 -4.86 114.94 119.73 1kvz s ASN 86 Ca 0.05 -0.26 -0.11 0.00 0.42 0.00 0.00 52.86 52.96 1kvz s ASN 86 Cb -0.15 0.44 0.01 0.00 -1.45 0.00 0.00 41.25 40.10 1kvz s ASN 86 CO -0.11 -0.79 1.06 -0.13 -3.72 0.00 0.00 177.10 173.42 1kvz s ARG 87 N -3.21 2.96 0.04 0.43 0.52 -1.26 -2.47 118.95 115.97 1kvz s ARG 87 Ca 0.10 0.77 0.04 0.00 -0.52 0.00 0.00 55.73 56.12 1kvz s ARG 87 Cb -0.01 -2.01 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 1kvz s ARG 87 CO -0.02 -1.04 -0.12 0.96 0.02 0.00 0.00 175.30 175.11 1kvz s ILE 88 N -3.15 0.95 -0.23 1.52 -4.36 -1.26 -2.63 121.20 112.04 1kvz s ILE 88 Ca 0.58 -0.97 -0.07 0.00 -0.26 0.00 0.00 60.65 59.93 1kvz s ILE 88 Cb -0.13 -0.89 -0.03 0.00 1.25 0.00 0.00 42.46 42.67 1kvz s ILE 88 CO 0.54 -0.07 0.05 0.00 0.24 0.00 0.00 174.94 175.70 1kvz s ILE 90 N 1.41 1.61 -0.26 0.00 -4.36 -0.19 -1.23 121.20 118.18 1kvz s ILE 90 Ca 0.05 -2.09 -0.12 0.00 -0.26 0.00 0.00 60.65 58.23 1kvz s ILE 90 Cb -0.15 -1.93 -0.05 0.00 1.25 0.00 0.00 42.46 41.59 1kvz s ILE 90 CO 0.02 -0.56 0.23 -0.60 0.24 0.00 0.00 174.94 174.27 1kvz s ARG 91 N -3.44 4.01 0.12 0.37 3.52 -0.99 0.26 118.95 122.81 1kvz s ARG 91 Ca 0.19 -0.21 0.10 0.00 -0.13 0.00 0.00 55.73 55.68 1kvz s ARG 91 Cb -0.01 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1kvz s ARG 91 CO 0.05 -0.12 -0.22 0.00 -0.81 0.00 0.00 175.30 174.20 1kvz s GLU 93 N -2.11 0.89 -2.06 0.00 -1.05 -0.95 -0.42 118.70 113.01 1kvz s GLU 93 Ca 0.16 0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.43 1kvz s GLU 93 Cb -0.10 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 1kvz s GLU 93 CO 0.08 -0.23 0.00 0.72 0.95 0.00 0.00 175.26 176.78 1kvz n HIS 94 N 1.42 -0.26 -2.44 4.83 8.25 -0.19 -1.83 115.22 124.99 1kvz n HIS 94 Ca -0.16 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.24 1kvz n HIS 94 Cb 0.57 -3.52 0.01 0.00 1.12 0.00 0.00 29.99 28.17 1kvz n HIS 94 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1kvz n GLU 95 N -2.49 -1.26 -3.64 -0.41 2.13 0.70 -4.97 120.64 110.70 1kvz n GLU 95 Ca -0.21 0.25 -0.07 0.00 0.66 0.00 0.00 57.16 57.79 1kvz n GLU 95 Cb 0.67 -3.75 -0.07 0.00 0.27 0.00 0.00 31.44 28.56 1kvz n GLU 95 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1kvz s LEU 96 N -2.12 -0.91 -0.24 4.31 2.34 -0.76 -4.77 118.68 116.52 1kvz s LEU 96 Ca 0.08 1.47 -0.29 0.00 0.06 0.00 0.00 54.13 55.45 1kvz s LEU 96 Cb -0.03 2.35 -0.01 0.00 -0.56 0.00 0.00 46.19 47.94 1kvz s LEU 96 CO 0.09 -0.23 1.42 -2.16 -1.06 0.00 0.00 176.35 174.41 1kvz s PRO 97 N 1.57 3.94 -0.04 1.48 0.04 -1.26 -2.24 135.00 138.49 1kvz s PRO 97 Ca -0.10 1.50 0.21 0.00 0.04 0.00 0.00 61.00 62.66 1kvz s PRO 97 Cb -0.05 -3.92 -0.33 0.00 0.04 0.00 0.00 34.50 30.24 1kvz s PRO 97 CO -0.19 -1.10 0.44 1.33 0.04 0.00 0.00 177.00 177.52 1kvz n VAL 98 N 6.10 0.12 -4.36 -0.36 0.24 -0.74 -4.37 118.33 114.96 1kvz n VAL 98 Ca 0.16 -0.53 -0.21 0.00 -2.04 0.00 0.00 64.34 61.73 1kvz n VAL 98 Cb 0.46 -0.04 -0.09 0.00 -1.47 0.00 0.00 33.84 32.71 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 -3.42 1.69 -0.20 6.34 3.76 -1.22 -4.43 115.29 117.81 1kvz s HIS 99 Ca -0.08 -1.45 0.02 0.00 -0.15 0.00 0.00 55.06 53.39 1kvz s HIS 99 Cb 0.13 -0.88 0.03 0.00 1.11 0.00 0.00 32.58 32.97 1kvz s HIS 99 CO 0.89 -0.59 -0.18 0.12 -0.85 0.00 0.00 174.74 174.14 1kvz s PHE 100 N -3.46 2.90 0.02 1.40 5.36 -1.26 -2.35 117.98 120.60 1kvz s PHE 100 Ca 0.34 -1.82 -0.19 0.00 -0.96 0.00 0.00 56.93 54.30 1kvz s PHE 100 Cb 0.03 -1.92 -0.23 0.00 -0.34 0.00 0.00 43.02 40.56 1kvz s PHE 100 CO 0.20 -0.83 1.12 0.00 -1.46 0.00 0.00 175.22 174.26 1kvz h ALA 101 N 7.90 0.09 0.00 11.12 0.00 -1.45 -3.46 119.26 133.46 1kvz h ALA 101 Ca -0.39 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1kvz h ALA 101 Cb 1.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1kvz h ALA 101 CO 0.59 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.67 1kvz n GLY 102 N 1.05 -0.53 3.31 0.00 0.00 -0.72 -5.01 105.19 103.29 1kvz n GLY 102 Ca -0.10 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 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 1.91 0.00 1.61 0.11 -1.26 -0.40 120.40 119.36 1kvz s VAL 103 Ca 0.00 -1.49 0.00 0.00 -2.93 0.00 0.00 61.98 57.56 1kvz s VAL 103 Cb 0.00 -1.69 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 1kvz s VAL 103 CO 0.00 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 1kvz n GLY 104 N 1.33 1.01 3.07 6.54 0.00 -1.08 -4.84 105.19 111.22 1kvz n GLY 104 Ca -0.18 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 0.42 0.30 -0.61 -4.36 -1.26 -4.62 121.20 111.07 1kvz s ILE 105 Ca 0.00 -1.35 0.08 0.00 -0.26 0.00 0.00 60.65 59.12 1kvz s ILE 105 Cb 0.00 -0.91 -0.04 0.00 1.25 0.00 0.00 42.46 42.76 1kvz s ILE 105 CO 0.00 -0.62 0.11 0.00 0.24 0.00 0.00 174.94 174.67