#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 3.71 0.00 0.03 -0.21 -1.26 -4.91 119.66 117.02 1kvz s GLN 2 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 54.92 1kvz s GLN 2 Cb 0.00 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.75 1kvz s GLN 2 CO 0.00 -0.06 0.00 -0.25 -2.12 0.00 0.00 175.29 172.86 1kvz n ASP 3 N 4.53 0.00 -0.42 5.90 8.00 -1.26 -4.79 116.55 128.52 1kvz n ASP 3 Ca -0.16 -0.81 0.40 0.00 0.71 0.00 0.00 54.79 54.92 1kvz n ASP 3 Cb 0.52 0.00 0.77 0.00 -0.02 0.00 0.00 41.12 42.39 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 0.81 0.00 -0.29 1.24 -0.00 -1.88 0.49 115.95 116.32 1kvz h TRP 4 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.82 1kvz h TRP 4 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 1kvz h TRP 4 CO 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 178.44 178.37 1kvz h ALA 5 N 1.30 0.40 -0.12 2.65 0.00 -1.94 0.15 119.26 121.70 1kvz h ALA 5 Ca 0.66 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1kvz h ALA 5 Cb 2.66 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 20.34 1kvz h ALA 5 CO -0.01 0.22 -0.09 1.15 0.00 0.00 0.00 179.25 180.53 1kvz h THR 6 N 0.33 1.34 0.00 0.00 2.02 -0.45 -2.73 112.91 113.42 1kvz h THR 6 Ca 0.07 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1kvz h THR 6 Cb 0.56 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1kvz h THR 6 CO 0.03 0.35 -0.02 0.15 0.37 0.00 0.00 175.52 176.40 1kvz h PHE 7 N -0.11 0.00 -0.06 3.16 3.04 -1.09 0.23 116.94 122.11 1kvz h PHE 7 Ca 0.02 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1kvz h PHE 7 Cb 0.59 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.10 1kvz h PHE 7 CO 0.08 0.02 0.01 -0.22 -2.02 0.00 0.00 178.31 176.18 1kvz h LYS 8 N 0.00 0.09 0.00 1.11 3.64 -0.39 0.24 116.57 121.26 1kvz h LYS 8 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1kvz h LYS 8 Cb 0.03 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1kvz h LYS 8 CO 0.00 0.28 -0.02 0.87 -2.27 0.00 0.00 179.45 178.32 1kvz h LYS 9 N -0.12 0.00 0.01 1.90 1.57 -1.22 -1.77 116.57 116.94 1kvz h LYS 9 Ca 0.02 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1kvz h LYS 9 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1kvz h LYS 9 CO 0.00 0.02 -0.57 0.87 -0.57 0.00 0.00 179.45 179.20 1kvz h LYS 10 N 0.00 0.02 0.00 3.15 1.79 -0.34 -3.42 116.57 117.77 1kvz h LYS 10 Ca -0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1kvz h LYS 10 Cb 0.99 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1kvz h LYS 10 CO 0.00 1.02 0.00 0.72 -1.08 0.00 0.00 179.45 180.11 1kvz n HIS 11 N -4.50 0.00 -4.51 -1.35 8.25 0.83 -4.15 115.22 109.79 1kvz n HIS 11 Ca -0.19 -0.21 -0.33 0.00 -0.26 0.00 0.00 57.72 56.72 1kvz n HIS 11 Cb 0.59 -0.02 -0.15 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.43 2.53 0.05 2.41 1.43 -0.66 -0.54 118.68 123.46 1kvz s LEU 12 Ca 0.00 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1kvz s LEU 12 Cb 0.00 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1kvz s LEU 12 CO 0.00 0.09 -0.03 0.42 0.23 0.00 0.00 176.35 177.06 1kvz s THR 13 N 0.80 0.23 -0.22 5.49 -4.23 -0.97 -4.53 115.64 112.21 1kvz s THR 13 Ca -0.05 -1.64 0.14 0.00 -1.18 0.00 0.00 61.69 58.96 1kvz s THR 13 Cb -0.15 -1.28 0.53 0.00 1.34 0.00 0.00 72.50 72.93 1kvz s THR 13 CO 0.00 -0.89 1.45 0.47 -0.54 0.00 0.00 174.62 175.11 1kvz n ASP 14 N 0.39 3.48 -3.54 3.99 8.00 -1.26 -4.02 116.55 123.58 1kvz n ASP 14 Ca -0.16 -3.26 -0.15 0.00 0.71 0.00 0.00 54.79 51.93 1kvz n ASP 14 Cb 0.60 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 1kvz n ASP 14 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1kvz s THR 15 N -2.97 0.00 0.07 -3.53 -4.23 -1.26 -5.05 115.64 98.67 1kvz s THR 15 Ca 0.43 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.77 1kvz s THR 15 Cb 0.37 -1.00 -0.11 0.00 1.34 0.00 0.00 72.50 73.09 1kvz s THR 15 CO 0.06 0.00 1.40 -0.25 -0.54 0.00 0.00 174.62 175.29 1kvz h TRP 16 N 2.84 0.60 -3.62 3.99 2.91 -1.97 -3.40 115.95 117.30 1kvz h TRP 16 Ca -0.23 -0.17 -0.63 0.00 1.13 0.00 0.00 58.89 58.99 1kvz h TRP 16 Cb 1.15 -0.13 -0.13 0.00 -0.51 0.00 0.00 29.16 29.54 1kvz h TRP 16 CO 0.34 0.83 0.35 -0.51 -1.03 0.00 0.00 178.44 178.42 1kvz s ASP 17 N -6.27 6.42 0.28 2.65 1.11 -1.26 -4.59 116.67 115.01 1kvz s ASP 17 Ca -0.13 -0.06 0.07 0.00 0.18 0.00 0.00 52.55 52.61 1kvz s ASP 17 Cb 0.07 -2.38 -0.03 0.00 1.07 0.00 0.00 42.92 41.64 1kvz s ASP 17 CO 0.78 -0.89 0.21 -0.69 1.18 0.00 0.00 175.17 175.77 1kvz s VAL 18 N 3.25 4.06 -0.80 -1.27 1.01 -1.26 -5.07 120.40 120.33 1kvz s VAL 18 Ca 0.30 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.67 1kvz s VAL 18 Cb -0.12 -3.29 0.15 0.00 0.00 0.00 0.00 36.38 33.12 1kvz s VAL 18 CO 0.22 -0.29 0.89 -1.81 0.00 0.00 0.00 175.10 174.11 1kvz s ASP 19 N -3.88 6.54 0.06 3.32 1.01 -1.26 -4.90 116.67 117.57 1kvz s ASP 19 Ca 0.35 -2.06 -0.21 0.00 0.71 0.00 0.00 52.55 51.34 1kvz s ASP 19 Cb -0.07 -2.31 -0.12 0.00 1.01 0.00 0.00 42.92 41.43 1kvz s ASP 19 CO 0.25 -0.93 1.51 0.00 0.21 0.00 0.00 175.17 176.21 1kvz n ASP 21 N -4.77 0.52 0.05 0.00 8.00 -1.26 -0.46 116.55 118.63 1kvz n ASP 21 Ca -0.05 0.69 -0.20 0.00 0.71 0.00 0.00 54.79 55.94 1kvz n ASP 21 Cb 0.20 -0.78 -0.14 0.00 -0.02 0.00 0.00 41.12 40.38 1kvz n ASP 21 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1kvz h ASN 22 N 0.00 0.47 0.61 -2.24 2.35 -1.91 -3.38 115.58 111.48 1kvz h ASN 22 Ca 0.00 -0.76 -0.10 0.00 -0.55 0.00 0.00 56.30 54.89 1kvz h ASN 22 Cb 0.15 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1kvz h ASN 22 CO 0.00 1.65 -1.47 0.18 -1.65 0.00 0.00 177.43 176.14 1kvz n LEU 23 N -3.49 0.64 -0.17 1.61 7.99 -1.05 -4.36 117.00 118.17 1kvz n LEU 23 Ca -0.23 0.27 -0.03 0.00 -0.01 0.00 0.00 56.01 56.00 1kvz n LEU 23 Cb 1.06 0.06 0.07 0.00 -0.11 0.00 0.00 43.42 44.49 1kvz n LEU 23 CO 0.49 0.05 1.00 -0.03 -1.51 0.00 0.00 177.39 177.38 1kvz h MET 24 N 0.00 0.43 0.00 3.23 4.05 -0.93 -2.39 114.93 119.32 1kvz h MET 24 Ca -0.12 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 1kvz h MET 24 Cb 1.36 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1kvz h MET 24 CO 0.02 0.28 0.00 -0.35 0.23 0.00 0.00 176.91 177.09 1kvz n PRO 25 N -4.94 0.89 -1.78 0.39 -0.04 -1.26 0.10 135.00 128.36 1kvz n PRO 25 Ca 0.05 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 1kvz n PRO 25 Cb 0.18 -1.16 0.13 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.66 0.00 0.61 0.52 -1.04 -0.90 -4.73 114.28 108.09 1kvz n THR 26 Ca 0.07 -0.98 0.13 0.00 -2.04 0.00 0.00 64.05 61.23 1kvz n THR 26 Cb 0.03 -1.34 0.32 0.00 -1.82 0.00 0.00 70.33 67.52 1kvz n THR 26 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1kvz n SER 27 N -3.34 0.77 0.12 8.00 2.88 -1.26 0.10 113.62 120.90 1kvz n SER 27 Ca 0.13 0.40 -0.20 0.00 -1.33 0.00 0.00 58.87 57.87 1kvz n SER 27 Cb 0.46 -0.43 -0.15 0.00 -0.75 0.00 0.00 64.21 63.34 1kvz n SER 27 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1kvz h LEU 28 N 0.00 0.60 0.00 2.46 5.85 -1.92 -3.38 115.31 118.92 1kvz h LEU 28 Ca 0.00 -0.65 -0.35 0.00 0.84 0.00 0.00 57.88 57.72 1kvz h LEU 28 Cb 0.74 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1kvz h LEU 28 CO 0.00 1.51 -2.28 0.49 -0.34 0.00 0.00 178.44 177.82 1kvz n PHE 29 N -3.60 0.00 -4.20 1.25 3.72 -1.24 -4.98 117.46 108.41 1kvz n PHE 29 Ca -0.12 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.94 1kvz n PHE 29 Cb 1.06 -0.85 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 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 -3.36 -1.68 -3.41 4.37 2.03 0.28 0.15 116.55 114.93 1kvz n ASP 30 Ca -0.41 -1.08 -0.21 0.00 0.52 0.00 0.00 54.79 53.61 1kvz n ASP 30 Cb 0.90 -2.53 0.08 0.00 -0.72 0.00 0.00 41.12 38.84 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 -4.61 -0.92 -0.02 0.00 4.81 0.12 -5.00 118.16 112.55 1kvz n LYS 32 Ca -0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1kvz n LYS 32 Cb 0.58 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.63 1kvz n LYS 32 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1kvz h ASP 33 N -1.24 0.00 -5.01 3.14 5.19 -1.94 -3.44 116.42 113.12 1kvz h ASP 33 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1kvz h ASP 33 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 1kvz h ASP 33 CO 0.00 0.16 0.16 -1.59 -3.12 0.00 0.00 179.24 174.85 1kvz s LYS 34 N -1.18 1.18 0.14 3.56 -2.85 -1.26 -1.32 119.74 118.01 1kvz s LYS 34 Ca -0.00 -0.28 0.02 0.00 -1.00 0.00 0.00 55.97 54.71 1kvz s LYS 34 Cb 0.00 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 1kvz s LYS 34 CO 0.00 -0.47 -0.05 1.21 0.10 0.00 0.00 175.35 176.15 1kvz s ASN 35 N -2.28 1.28 -0.10 0.03 3.84 -0.02 -4.95 114.94 112.75 1kvz s ASN 35 Ca -0.03 -1.07 -0.01 0.00 0.21 0.00 0.00 52.86 51.96 1kvz s ASN 35 Cb -0.01 0.09 0.03 0.00 -0.55 0.00 0.00 41.25 40.81 1kvz s ASN 35 CO -0.06 -0.48 -0.03 -0.89 -2.79 0.00 0.00 177.10 172.85 1kvz s THR 36 N -3.58 0.70 0.33 -5.21 2.01 -1.26 -0.09 115.64 108.53 1kvz s THR 36 Ca 0.17 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.10 1kvz s THR 36 Cb 0.05 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 1kvz s THR 36 CO -0.01 0.27 0.47 -0.36 -0.69 0.00 0.00 174.62 174.31 1kvz s PHE 37 N 1.84 3.21 -0.08 4.92 0.08 0.72 -4.33 117.98 124.34 1kvz s PHE 37 Ca 0.04 -0.11 0.04 0.00 0.12 0.00 0.00 56.93 57.02 1kvz s PHE 37 Cb -0.13 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 1kvz s PHE 37 CO -0.07 0.04 -0.19 0.42 -0.10 0.00 0.00 175.22 175.32 1kvz s ILE 38 N -2.19 2.56 -1.06 0.64 -1.09 0.30 -2.00 121.20 118.36 1kvz s ILE 38 Ca 0.43 -0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 57.86 1kvz s ILE 38 Cb -0.09 -2.00 0.23 0.00 -1.58 0.00 0.00 42.46 39.02 1kvz s ILE 38 CO 0.32 0.56 1.11 -0.47 -1.23 0.00 0.00 174.94 175.23 1kvz s TYR 39 N -0.09 3.89 0.18 3.97 5.04 -0.89 -2.28 117.35 127.18 1kvz s TYR 39 Ca -0.04 -2.31 -0.24 0.00 -2.44 0.00 0.00 57.07 52.05 1kvz s TYR 39 Cb -0.14 -3.98 0.05 0.00 0.35 0.00 0.00 41.96 38.24 1kvz s TYR 39 CO 0.04 -1.11 0.87 0.45 -1.34 0.00 0.00 175.55 174.46 1kvz s SER 40 N 2.04 -0.23 0.46 4.32 0.15 -1.26 -4.58 113.70 114.61 1kvz s SER 40 Ca 0.31 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.43 1kvz s SER 40 Cb -0.08 0.56 -0.06 0.00 -1.71 0.00 0.00 66.02 64.73 1kvz s SER 40 CO -0.07 -1.02 0.84 -0.76 1.20 0.00 0.00 173.24 173.44 1kvz s LEU 41 N -2.90 3.69 0.25 3.45 1.02 -1.26 -4.62 118.68 118.31 1kvz s LEU 41 Ca 0.11 1.22 0.25 0.00 0.02 0.00 0.00 54.13 55.73 1kvz s LEU 41 Cb -0.03 -4.14 0.87 0.00 0.02 0.00 0.00 46.19 42.91 1kvz s LEU 41 CO 0.02 -0.52 1.76 1.55 0.02 0.00 0.00 176.35 179.18 1kvz h PRO 42 N 0.84 0.00 0.47 1.29 0.13 -1.97 -2.85 132.00 129.91 1kvz h PRO 42 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1kvz h PRO 42 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1kvz h PRO 42 CO 0.63 0.00 -0.23 0.78 -0.23 0.00 0.00 178.00 178.95 1kvz h GLY 43 N 3.65 -0.66 2.00 1.56 0.00 -1.97 0.54 103.07 108.19 1kvz h GLY 43 Ca 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 1kvz h GLY 43 CO 0.00 -0.24 -0.67 -0.56 0.00 0.00 0.00 176.54 175.07 1kvz h PRO 44 N -1.01 0.00 0.09 4.80 0.13 -1.99 -1.04 132.00 132.97 1kvz h PRO 44 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1kvz h PRO 44 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1kvz h PRO 44 CO 0.11 0.67 -0.04 0.28 -0.23 0.00 0.00 178.00 178.78 1kvz h VAL 45 N 0.00 1.10 0.00 1.56 2.07 -1.57 -3.16 116.25 116.25 1kvz h VAL 45 Ca -0.01 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 1kvz h VAL 45 Cb 1.27 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1kvz h VAL 45 CO 0.09 0.31 -0.14 0.50 0.02 0.00 0.00 177.57 178.35 1kvz h LYS 46 N -0.84 0.00 -0.67 1.57 3.64 -0.96 -2.11 116.57 117.20 1kvz h LYS 46 Ca -0.01 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1kvz h LYS 46 Cb 0.59 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1kvz h LYS 46 CO 0.02 0.14 0.45 0.00 -2.27 0.00 0.00 179.45 177.78 1kvz h ALA 47 N 1.86 2.03 -0.67 5.00 0.00 -1.15 0.93 119.26 127.26 1kvz h ALA 47 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1kvz h ALA 47 Cb 0.31 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1kvz h ALA 47 CO 0.02 -0.19 0.35 -0.07 0.00 0.00 0.00 179.25 179.37 1kvz h LEU 48 N 0.44 0.84 0.00 0.00 3.38 -1.42 -1.54 115.31 117.00 1kvz h LEU 48 Ca 0.31 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1kvz h LEU 48 Cb 0.63 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1kvz h LEU 48 CO -0.09 0.69 -0.08 0.00 0.09 0.00 0.00 178.44 179.04 1kvz n ARG 50 N -2.74 0.50 0.00 0.00 0.00 -0.58 -0.29 116.66 113.55 1kvz n ARG 50 Ca 0.04 -0.41 0.00 0.00 -0.00 0.00 0.00 57.85 57.48 1kvz n ARG 50 Cb 0.49 -2.90 0.00 0.00 0.00 0.00 0.00 32.46 30.06 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 6.34 1.62 3.74 5.14 0.00 -1.26 -5.05 105.19 115.72 1kvz n GLY 51 Ca 0.51 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 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 3.32 -0.03 1.61 1.01 0.61 -4.92 120.40 121.99 1kvz s VAL 52 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1kvz s VAL 52 Cb 0.00 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1kvz s VAL 52 CO 0.00 0.19 -0.03 -0.38 0.00 0.00 0.00 175.10 174.88 1kvz n ILE 53 N 2.34 0.18 -3.66 2.22 2.08 -1.26 -0.73 119.36 120.53 1kvz n ILE 53 Ca 0.04 -0.07 -0.22 0.00 0.56 0.00 0.00 62.75 63.07 1kvz n ILE 53 Cb 0.43 -0.70 -0.03 0.00 -0.75 0.00 0.00 39.64 38.60 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 -2.06 2.43 0.10 1.39 -0.12 -1.26 -1.23 117.98 117.23 1kvz s PHE 54 Ca -0.04 -0.58 -0.31 0.00 -0.05 0.00 0.00 56.93 55.95 1kvz s PHE 54 Cb 0.01 -2.10 -0.09 0.00 -0.63 0.00 0.00 43.02 40.21 1kvz s PHE 54 CO 0.07 -0.21 1.63 0.45 -0.05 0.00 0.00 175.22 177.11 1kvz s SER 55 N -4.16 6.60 -0.02 1.98 0.15 -1.23 -3.85 113.70 113.17 1kvz s SER 55 Ca 0.45 2.53 -0.21 0.00 0.70 0.00 0.00 55.95 59.42 1kvz s SER 55 Cb -0.02 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1kvz s SER 55 CO 0.27 -0.87 0.45 0.00 1.20 0.00 0.00 173.24 174.28 1kvz s ALA 56 N 2.19 -1.14 -0.18 5.45 0.00 0.02 -4.92 121.76 123.18 1kvz s ALA 56 Ca 0.73 0.66 -0.14 0.00 0.00 0.00 0.00 51.96 53.21 1kvz s ALA 56 Cb -0.41 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1kvz s ALA 56 CO 0.32 -0.31 0.33 -0.51 0.00 0.00 0.00 175.76 175.58 1kvz s ASP 57 N -1.34 6.42 0.12 0.00 1.11 -1.26 0.19 116.67 121.91 1kvz s ASP 57 Ca -0.12 0.49 0.07 0.00 0.18 0.00 0.00 52.55 53.17 1kvz s ASP 57 Cb -0.03 -2.20 -0.04 0.00 1.07 0.00 0.00 42.92 41.73 1kvz s ASP 57 CO 0.06 0.03 -0.17 0.54 1.18 0.00 0.00 175.17 176.81 1kvz s VAL 58 N 0.81 1.54 -0.08 -1.27 0.11 0.32 -4.95 120.40 116.88 1kvz s VAL 58 Ca 0.17 -1.65 0.04 0.00 -2.93 0.00 0.00 61.98 57.61 1kvz s VAL 58 Cb -0.14 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 1kvz s VAL 58 CO 0.06 -0.26 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.61 1kvz s LEU 59 N -2.24 2.36 0.31 2.54 1.43 -1.26 -1.34 118.68 120.48 1kvz s LEU 59 Ca 0.08 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 1kvz s LEU 59 Cb -0.07 -1.47 -0.13 0.00 0.03 0.00 0.00 46.19 44.55 1kvz s LEU 59 CO 0.04 0.24 1.31 -1.54 0.23 0.00 0.00 176.35 176.63 1kvz n SER 60 N 3.01 2.71 0.10 2.29 3.41 -1.02 -4.89 113.62 119.23 1kvz n SER 60 Ca -0.18 1.19 -0.05 0.00 -0.26 0.00 0.00 58.87 59.57 1kvz n SER 60 Cb 0.52 -1.46 0.09 0.00 -0.26 0.00 0.00 64.21 63.10 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 3.02 0.20 -2.26 4.04 2.35 -1.98 -3.44 115.58 117.50 1kvz h ASN 61 Ca -0.45 -0.13 -0.57 0.00 -0.55 0.00 0.00 56.30 54.60 1kvz h ASN 61 Cb 1.28 -0.06 -0.13 0.00 0.05 0.00 0.00 38.32 39.46 1kvz h ASN 61 CO 0.66 0.83 -0.59 -0.94 -1.65 0.00 0.00 177.43 175.74 1kvz s SER 62 N -6.89 3.25 -0.08 5.81 1.04 -1.26 -5.10 113.70 110.48 1kvz s SER 62 Ca -0.03 -1.41 -0.11 0.00 0.48 0.00 0.00 55.95 54.88 1kvz s SER 62 Cb 0.12 -0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.02 1kvz s SER 62 CO 0.80 -0.56 0.27 -1.61 0.98 0.00 0.00 173.24 173.12 1kvz s GLU 63 N -3.79 3.77 0.34 4.02 2.02 -1.26 -4.51 118.70 119.28 1kvz s GLU 63 Ca 0.33 0.13 0.09 0.00 0.02 0.00 0.00 54.97 55.53 1kvz s GLU 63 Cb 0.09 -3.24 -0.06 0.00 0.10 0.00 0.00 34.13 31.02 1kvz s GLU 63 CO 0.16 0.66 0.01 -0.06 0.02 0.00 0.00 175.26 176.05 1kvz s PHE 64 N -0.81 2.54 0.44 1.61 0.08 -0.98 -4.75 117.98 116.11 1kvz s PHE 64 Ca 0.19 -0.45 -0.23 0.00 0.12 0.00 0.00 56.93 56.56 1kvz s PHE 64 Cb -0.14 -1.51 -0.08 0.00 -0.57 0.00 0.00 43.02 40.72 1kvz s PHE 64 CO 0.08 0.47 1.07 0.71 -0.10 0.00 0.00 175.22 177.45 1kvz s TYR 65 N -2.53 3.10 -0.08 0.36 2.02 -1.26 -2.41 117.35 116.55 1kvz s TYR 65 Ca 0.35 1.60 0.01 0.00 -0.37 0.00 0.00 57.07 58.66 1kvz s TYR 65 Cb 0.01 -3.17 0.02 0.00 -0.40 0.00 0.00 41.96 38.41 1kvz s TYR 65 CO 0.19 -0.89 -0.07 -0.51 -1.57 0.00 0.00 175.55 172.70 1kvz s LEU 66 N -2.95 1.26 -0.43 -1.29 1.43 0.65 -2.08 118.68 115.26 1kvz s LEU 66 Ca 0.62 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.39 1kvz s LEU 66 Cb -0.22 -0.69 0.08 0.00 0.03 0.00 0.00 46.19 45.39 1kvz s LEU 66 CO 0.27 -0.07 0.28 0.00 0.23 0.00 0.00 176.35 177.06 1kvz s ALA 67 N 1.28 3.33 0.21 4.21 0.00 -0.85 -1.06 121.76 128.89 1kvz s ALA 67 Ca -0.04 -2.19 0.06 0.00 0.00 0.00 0.00 51.96 49.80 1kvz s ALA 67 Cb -0.14 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1kvz s ALA 67 CO -0.03 -1.69 0.15 -1.83 0.00 0.00 0.00 175.76 172.37 1kvz s GLU 68 N 1.44 2.86 -0.18 0.00 -1.05 0.09 -0.20 118.70 121.67 1kvz s GLU 68 Ca 0.03 -0.99 0.01 0.00 -0.15 0.00 0.00 54.97 53.87 1kvz s GLU 68 Cb -0.23 -2.57 0.02 0.00 -0.44 0.00 0.00 34.13 30.90 1kvz s GLU 68 CO 0.02 0.44 -0.19 0.00 0.95 0.00 0.00 175.26 176.48 1kvz s ASN 70 N 1.27 4.34 -0.50 0.00 -0.87 -0.92 -0.84 114.94 117.43 1kvz s ASN 70 Ca 0.04 -1.05 -0.28 0.00 -1.57 0.00 0.00 52.86 50.01 1kvz s ASN 70 Cb -0.13 -1.63 -0.00 0.00 -0.02 0.00 0.00 41.25 39.46 1kvz s ASN 70 CO -0.12 -0.16 1.64 -0.69 -2.57 0.00 0.00 177.10 175.20 1kvz s VAL 71 N 1.26 3.60 0.56 1.60 1.01 -0.43 -1.87 120.40 126.12 1kvz s VAL 71 Ca -0.03 0.52 -0.20 0.00 0.00 0.00 0.00 61.98 62.28 1kvz s VAL 71 Cb -0.18 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1kvz s VAL 71 CO -0.05 -0.85 1.21 -0.54 0.00 0.00 0.00 175.10 174.88 1kvz s LYS 72 N 5.89 3.16 0.61 2.72 1.02 -1.00 -4.96 119.74 127.19 1kvz s LYS 72 Ca 0.65 1.86 -0.12 0.00 0.02 0.00 0.00 55.97 58.37 1kvz s LYS 72 Cb -0.15 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1kvz s LYS 72 CO 0.27 -1.06 1.03 -1.25 -0.92 0.00 0.00 175.35 173.42 1kvz s PRO 73 N -3.16 3.56 -1.52 -1.68 0.04 -1.26 -3.79 135.00 127.19 1kvz s PRO 73 Ca 0.74 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1kvz s PRO 73 Cb -0.31 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1kvz s PRO 73 CO 0.35 -0.60 0.00 0.54 0.04 0.00 0.00 177.00 177.33 1kvz n ARG 74 N -2.60 -1.27 -4.26 4.56 1.74 -1.26 -4.99 116.66 108.58 1kvz n ARG 74 Ca 0.06 0.89 -0.19 0.00 -0.77 0.00 0.00 57.85 57.85 1kvz n ARG 74 Cb 0.54 -5.24 -0.13 0.00 -1.02 0.00 0.00 32.46 26.61 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 -4.40 0.83 -1.26 5.56 -0.14 -1.25 -5.06 119.74 114.02 1kvz s LYS 75 Ca 0.00 -0.78 -0.17 0.00 -1.36 0.00 0.00 55.97 53.66 1kvz s LYS 75 Cb 0.00 -0.81 -0.00 0.00 -1.68 0.00 0.00 37.83 35.34 1kvz s LYS 75 CO 0.00 0.19 2.05 -0.35 -0.76 0.00 0.00 175.35 176.48 1kvz n PRO 76 N 1.74 2.55 -3.51 -1.68 -0.04 -1.26 -4.33 135.00 128.46 1kvz n PRO 76 Ca -0.19 -2.57 -0.19 0.00 -0.04 0.00 0.00 63.50 60.51 1kvz n PRO 76 Cb 0.55 -3.29 0.06 0.00 -0.04 0.00 0.00 33.50 30.78 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 -5.45 3.94 0.13 0.00 -0.14 -1.26 -4.99 119.74 111.96 1kvz s LYS 78 Ca 0.11 -0.35 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 1kvz s LYS 78 Cb -0.02 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 1kvz s LYS 78 CO 0.77 0.10 0.29 0.71 -0.76 0.00 0.00 175.35 176.46 1kvz s TYR 79 N 0.87 3.50 -0.10 3.18 2.02 -1.26 -2.36 117.35 123.20 1kvz s TYR 79 Ca 0.05 0.26 0.03 0.00 -0.37 0.00 0.00 57.07 57.04 1kvz s TYR 79 Cb -0.13 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1kvz s TYR 79 CO 0.03 0.51 -0.20 0.15 -1.57 0.00 0.00 175.55 174.46 1kvz s LYS 80 N -2.92 2.66 0.14 -0.62 1.02 -0.78 -4.90 119.74 114.34 1kvz s LYS 80 Ca 0.36 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 55.32 1kvz s LYS 80 Cb -0.12 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.04 1kvz s LYS 80 CO 0.28 0.08 1.03 -1.17 -0.92 0.00 0.00 175.35 174.65 1kvz s LEU 81 N 0.58 4.49 -0.02 3.17 0.20 -1.26 -2.16 118.68 123.68 1kvz s LEU 81 Ca -0.14 1.93 -0.01 0.00 0.69 0.00 0.00 54.13 56.60 1kvz s LEU 81 Cb -0.17 -3.59 0.02 0.00 -0.43 0.00 0.00 46.19 42.02 1kvz s LEU 81 CO 0.05 -0.14 0.04 -0.54 -0.29 0.00 0.00 176.35 175.47 1kvz s LYS 82 N -0.13 0.00 0.17 1.98 1.02 -0.78 -5.00 119.74 117.01 1kvz s LYS 82 Ca 0.48 0.14 0.05 0.00 0.02 0.00 0.00 55.97 56.67 1kvz s LYS 82 Cb -0.26 -0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 36.88 1kvz s LYS 82 CO 0.32 -0.10 0.15 -1.59 -0.92 0.00 0.00 175.35 173.21 1kvz s LYS 83 N 0.62 2.92 0.37 1.68 -2.85 -1.26 -0.73 119.74 120.50 1kvz s LYS 83 Ca -0.05 -0.88 -0.16 0.00 -1.00 0.00 0.00 55.97 53.87 1kvz s LYS 83 Cb -0.07 -2.65 0.06 0.00 -2.06 0.00 0.00 37.83 33.11 1kvz s LYS 83 CO -0.02 0.47 0.81 -1.12 0.10 0.00 0.00 175.35 175.59 1kvz s SER 84 N -3.20 0.00 -0.27 0.03 0.01 -0.22 -4.93 113.70 105.12 1kvz s SER 84 Ca 0.31 -1.11 -0.02 0.00 1.31 0.00 0.00 55.95 56.45 1kvz s SER 84 Cb -0.10 0.83 0.16 0.00 0.21 0.00 0.00 66.02 67.12 1kvz s SER 84 CO 0.24 -1.64 0.47 -0.55 0.41 0.00 0.00 173.24 172.17 1kvz s SER 85 N -3.09 -0.46 0.10 2.44 0.15 -1.26 -0.25 113.70 111.34 1kvz s SER 85 Ca 0.16 0.48 -0.22 0.00 0.70 0.00 0.00 55.95 57.07 1kvz s SER 85 Cb -0.05 1.57 0.07 0.00 -1.71 0.00 0.00 66.02 65.90 1kvz s SER 85 CO 0.11 -0.28 1.01 -0.46 1.20 0.00 0.00 173.24 174.82 1kvz n ASN 86 N 5.39 -1.41 -4.05 5.45 6.94 -1.01 -4.87 115.26 121.70 1kvz n ASN 86 Ca -0.02 -1.62 -0.28 0.00 -0.02 0.00 0.00 54.58 52.64 1kvz n ASN 86 Cb 0.51 2.27 0.18 0.00 -2.36 0.00 0.00 39.78 40.38 1kvz n ASN 86 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1kvz n ARG 87 N -0.72 -1.01 -3.72 -3.83 1.74 -1.26 -2.31 116.66 105.56 1kvz n ARG 87 Ca 0.00 -2.21 -0.13 0.00 -0.77 0.00 0.00 57.85 54.74 1kvz n ARG 87 Cb 0.53 -1.19 -0.10 0.00 -1.02 0.00 0.00 32.46 30.68 1kvz n ARG 87 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1kvz s ILE 88 N -3.70 -0.00 -0.35 0.55 -4.36 -1.26 -2.53 121.20 109.55 1kvz s ILE 88 Ca 0.73 0.00 -0.14 0.00 -0.26 0.00 0.00 60.65 60.98 1kvz s ILE 88 Cb -0.02 -0.65 -0.01 0.00 1.25 0.00 0.00 42.46 43.03 1kvz s ILE 88 CO 0.50 0.00 0.27 0.00 0.24 0.00 0.00 174.94 175.95 1kvz s ILE 90 N 1.76 2.03 -0.24 0.00 1.01 -0.45 -0.50 121.20 124.80 1kvz s ILE 90 Ca 0.07 -2.24 -0.07 0.00 0.00 0.00 0.00 60.65 58.41 1kvz s ILE 90 Cb -0.18 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 1kvz s ILE 90 CO 0.11 -0.38 0.05 -0.60 0.00 0.00 0.00 174.94 174.12 1kvz s ARG 91 N -3.62 3.62 0.11 2.79 3.52 -0.40 -0.52 118.95 124.46 1kvz s ARG 91 Ca 0.29 -0.50 0.09 0.00 -0.13 0.00 0.00 55.73 55.47 1kvz s ARG 91 Cb -0.00 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1kvz s ARG 91 CO 0.13 -0.18 -0.17 0.00 -0.81 0.00 0.00 175.30 174.27 1kvz s GLU 93 N -2.16 0.82 -1.85 0.00 -1.05 -0.95 -0.80 118.70 112.71 1kvz s GLU 93 Ca 0.19 0.67 0.00 0.00 -0.15 0.00 0.00 54.97 55.67 1kvz s GLU 93 Cb -0.11 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1kvz s GLU 93 CO 0.11 -0.16 0.00 0.72 0.95 0.00 0.00 175.26 176.88 1kvz n HIS 94 N 1.98 -0.66 -2.80 4.83 8.25 -0.36 -1.97 115.22 124.48 1kvz n HIS 94 Ca -0.15 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.17 1kvz n HIS 94 Cb 0.56 -3.72 0.03 0.00 1.12 0.00 0.00 29.99 27.98 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 -3.38 -3.64 -0.41 1.02 0.09 -4.97 120.64 106.58 1kvz n GLU 95 Ca -0.23 0.56 -0.06 0.00 -0.02 0.00 0.00 57.16 57.42 1kvz n GLU 95 Cb 0.68 -4.70 -0.07 0.00 -0.02 0.00 0.00 31.44 27.33 1kvz n GLU 95 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1kvz s LEU 96 N -4.44 -0.91 -0.16 -4.62 0.05 -0.83 -4.64 118.68 103.13 1kvz s LEU 96 Ca 0.22 1.43 -0.29 0.00 0.05 0.00 0.00 54.13 55.53 1kvz s LEU 96 Cb -0.10 2.29 -0.02 0.00 -2.05 0.00 0.00 46.19 46.31 1kvz s LEU 96 CO 0.27 -0.22 1.39 -2.16 -0.55 0.00 0.00 176.35 175.08 1kvz s PRO 97 N 1.74 4.15 -0.11 1.48 0.04 -1.26 -2.23 135.00 138.81 1kvz s PRO 97 Ca -0.09 1.75 0.19 0.00 0.04 0.00 0.00 61.00 62.89 1kvz s PRO 97 Cb -0.06 -3.85 -0.29 0.00 0.04 0.00 0.00 34.50 30.34 1kvz s PRO 97 CO -0.19 -0.83 0.28 1.33 0.04 0.00 0.00 177.00 177.62 1kvz n VAL 98 N 5.57 0.63 -4.19 -0.36 0.24 -0.85 -4.34 118.33 115.04 1kvz n VAL 98 Ca 0.15 -0.65 -0.12 0.00 -2.04 0.00 0.00 64.34 61.69 1kvz n VAL 98 Cb 0.45 -0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 32.50 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 -3.00 1.00 -0.26 6.34 3.76 -1.23 -4.55 115.29 117.35 1kvz s HIS 99 Ca -0.09 -0.85 -0.06 0.00 -0.15 0.00 0.00 55.06 53.91 1kvz s HIS 99 Cb 0.10 -0.55 -0.01 0.00 1.11 0.00 0.00 32.58 33.23 1kvz s HIS 99 CO 0.84 -0.07 0.05 0.12 -0.85 0.00 0.00 174.74 174.82 1kvz s PHE 100 N -3.44 3.08 0.01 1.40 5.36 -1.26 -1.27 117.98 121.86 1kvz s PHE 100 Ca 0.12 -0.78 -0.21 0.00 -0.96 0.00 0.00 56.93 55.10 1kvz s PHE 100 Cb 0.04 -2.21 -0.19 0.00 -0.34 0.00 0.00 43.02 40.32 1kvz s PHE 100 CO -0.03 -0.50 1.20 0.00 -1.46 0.00 0.00 175.22 174.44 1kvz h ALA 101 N 8.20 0.13 0.00 11.12 0.00 -1.08 -3.47 119.26 134.17 1kvz h ALA 101 Ca -0.36 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1kvz h ALA 101 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1kvz h ALA 101 CO 0.59 0.16 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1kvz n GLY 102 N 0.63 -1.02 3.39 0.00 0.00 -0.29 -4.99 105.19 102.90 1kvz n GLY 102 Ca -0.08 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 2.26 0.00 1.61 0.11 -1.26 -0.50 120.40 119.62 1kvz s VAL 103 Ca 0.00 -1.69 0.00 0.00 -2.93 0.00 0.00 61.98 57.36 1kvz s VAL 103 Cb 0.00 -1.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.87 1kvz s VAL 103 CO 0.00 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1kvz n GLY 104 N 1.05 1.74 3.27 6.54 0.00 -1.05 -4.79 105.19 111.94 1kvz n GLY 104 Ca -0.18 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 1.56 0.28 -0.61 -4.36 -1.26 -4.27 121.20 112.54 1kvz s ILE 105 Ca 0.00 -1.66 -0.06 0.00 -0.26 0.00 0.00 60.65 58.68 1kvz s ILE 105 Cb 0.00 -1.56 -0.05 0.00 1.25 0.00 0.00 42.46 42.10 1kvz s ILE 105 CO 0.00 -0.25 0.56 0.00 0.24 0.00 0.00 174.94 175.49