#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 2.09 0.07 0.03 -0.21 -1.26 -4.81 119.66 115.57 1kvz s GLN 2 Ca 0.00 -2.80 0.01 0.00 0.02 0.00 0.00 55.36 52.59 1kvz s GLN 2 Cb 0.00 -3.33 -0.00 0.00 1.00 0.00 0.00 33.01 30.67 1kvz s GLN 2 CO 0.00 -1.16 0.07 -0.25 -2.12 0.00 0.00 175.29 171.83 1kvz n ASP 3 N 2.82 -0.18 0.10 5.90 9.92 -1.26 -4.71 116.55 129.14 1kvz n ASP 3 Ca 0.09 -1.43 -0.16 0.00 -0.53 0.00 0.00 54.79 52.76 1kvz n ASP 3 Cb 0.33 0.38 -0.09 0.00 -0.64 0.00 0.00 41.12 41.10 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 1.21 -1.46 -0.98 1.24 -0.00 -1.88 -1.24 115.95 112.84 1kvz h TRP 4 Ca -0.05 0.04 0.35 0.00 -0.00 0.00 0.00 58.89 59.23 1kvz h TRP 4 Cb 0.24 0.63 -0.17 0.00 -0.00 0.00 0.00 29.16 29.86 1kvz h TRP 4 CO 0.00 -0.58 0.42 0.00 -0.00 0.00 0.00 178.44 178.28 1kvz h ALA 5 N -0.40 1.83 -0.06 2.65 0.00 -1.97 0.75 119.26 122.06 1kvz h ALA 5 Ca 0.01 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1kvz h ALA 5 Cb 0.74 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1kvz h ALA 5 CO -0.30 -0.73 -0.23 1.15 0.00 0.00 0.00 179.25 179.13 1kvz h THR 6 N 0.11 1.45 0.00 0.00 2.02 -1.69 -2.92 112.91 111.87 1kvz h THR 6 Ca 0.74 -1.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 1kvz h THR 6 Cb 1.79 2.37 -0.00 0.00 -1.74 0.00 0.00 68.15 70.56 1kvz h THR 6 CO -0.74 0.47 -0.11 0.15 0.37 0.00 0.00 175.52 175.65 1kvz h PHE 7 N -0.28 0.00 -0.05 3.16 3.57 0.67 0.13 116.94 124.14 1kvz h PHE 7 Ca -0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1kvz h PHE 7 Cb 0.88 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1kvz h PHE 7 CO 0.13 0.11 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.08 1kvz h LYS 8 N 0.00 0.11 0.00 1.11 3.11 0.41 0.25 116.57 121.57 1kvz h LYS 8 Ca -0.00 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 57.74 1kvz h LYS 8 Cb 0.24 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1kvz h LYS 8 CO 0.01 0.47 -0.27 0.87 -2.81 0.00 0.00 179.45 177.72 1kvz h LYS 9 N -0.26 0.00 0.00 1.90 1.79 -1.28 -1.92 116.57 116.81 1kvz h LYS 9 Ca 0.01 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1kvz h LYS 9 Cb 0.44 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1kvz h LYS 9 CO 0.01 0.27 -0.56 0.87 -1.08 0.00 0.00 179.45 178.96 1kvz h LYS 10 N 0.00 0.00 -0.11 3.15 6.56 -0.62 -3.42 116.57 122.13 1kvz h LYS 10 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1kvz h LYS 10 Cb 0.98 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.64 1kvz h LYS 10 CO 0.04 0.69 0.00 0.72 -2.06 0.00 0.00 179.45 178.83 1kvz n HIS 11 N -4.57 0.21 -4.04 -1.35 8.25 0.88 -4.41 115.22 110.19 1kvz n HIS 11 Ca -0.17 -0.63 -0.12 0.00 -0.26 0.00 0.00 57.72 56.54 1kvz n HIS 11 Cb 0.45 -0.09 -0.12 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.53 2.20 0.17 2.41 1.02 -0.72 -0.36 118.68 121.86 1kvz s LEU 12 Ca 0.16 -0.43 -0.12 0.00 0.02 0.00 0.00 54.13 53.76 1kvz s LEU 12 Cb 0.12 -0.10 0.01 0.00 0.02 0.00 0.00 46.19 46.23 1kvz s LEU 12 CO 0.05 -0.17 0.36 0.42 0.02 0.00 0.00 176.35 177.03 1kvz s THR 13 N -1.11 0.06 -0.25 5.49 -4.23 -0.96 -4.41 115.64 110.23 1kvz s THR 13 Ca -0.09 -1.12 0.13 0.00 -1.18 0.00 0.00 61.69 59.43 1kvz s THR 13 Cb -0.08 -1.67 0.54 0.00 1.34 0.00 0.00 72.50 72.63 1kvz s THR 13 CO -0.00 -0.27 1.49 0.47 -0.54 0.00 0.00 174.62 175.77 1kvz n ASP 14 N -0.24 3.37 -3.52 3.99 8.00 -1.26 -4.11 116.55 122.78 1kvz n ASP 14 Ca -0.09 -3.36 -0.08 0.00 0.71 0.00 0.00 54.79 51.96 1kvz n ASP 14 Cb 0.63 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1kvz n ASP 14 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1kvz s THR 15 N -3.03 0.00 0.21 -3.53 -1.32 -1.26 -5.04 115.64 101.67 1kvz s THR 15 Ca 0.45 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.92 1kvz s THR 15 Cb 0.38 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.33 1kvz s THR 15 CO 0.06 0.00 1.54 -0.25 -2.21 0.00 0.00 174.62 173.75 1kvz h TRP 16 N 2.07 0.60 -3.28 9.09 2.91 -1.98 -3.42 115.95 121.94 1kvz h TRP 16 Ca -0.20 -0.21 -0.57 0.00 1.13 0.00 0.00 58.89 59.04 1kvz h TRP 16 Cb 1.22 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 29.70 1kvz h TRP 16 CO 0.26 0.91 0.46 -0.51 -1.03 0.00 0.00 178.44 178.54 1kvz s ASP 17 N -6.90 7.09 0.12 2.65 1.11 -1.26 -4.82 116.67 114.66 1kvz s ASP 17 Ca -0.07 1.34 0.09 0.00 0.18 0.00 0.00 52.55 54.09 1kvz s ASP 17 Cb 0.12 -2.50 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 1kvz s ASP 17 CO 0.83 -0.41 -0.16 -0.69 1.18 0.00 0.00 175.17 175.91 1kvz s VAL 18 N 2.04 2.94 -0.64 -1.27 1.01 -1.26 -4.98 120.40 118.24 1kvz s VAL 18 Ca 0.43 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 1kvz s VAL 18 Cb -0.17 -2.36 0.13 0.00 0.00 0.00 0.00 36.38 33.97 1kvz s VAL 18 CO 0.15 0.08 0.71 -1.81 0.00 0.00 0.00 175.10 174.24 1kvz s ASP 19 N -2.21 6.30 -0.23 3.32 1.11 -1.26 -4.85 116.67 118.85 1kvz s ASP 19 Ca 0.19 -1.71 0.05 0.00 0.18 0.00 0.00 52.55 51.26 1kvz s ASP 19 Cb -0.10 -2.28 -0.20 0.00 1.07 0.00 0.00 42.92 41.40 1kvz s ASP 19 CO 0.11 -1.00 -0.08 0.00 1.18 0.00 0.00 175.17 175.38 1kvz h ASP 21 N 0.01 0.00 0.02 0.00 3.32 -1.92 0.64 116.42 118.49 1kvz h ASP 21 Ca -0.55 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.11 1kvz h ASP 21 Cb 1.99 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.48 1kvz h ASP 21 CO -0.04 0.00 -2.40 -3.20 -1.72 0.00 0.00 179.24 171.88 1kvz n ASN 22 N -2.40 2.00 0.07 6.45 2.85 -1.26 -4.50 115.26 118.47 1kvz n ASN 22 Ca 0.01 -0.07 0.01 0.00 -0.11 0.00 0.00 54.58 54.42 1kvz n ASN 22 Cb 0.20 -0.50 -0.04 0.00 1.24 0.00 0.00 39.78 40.68 1kvz n ASN 22 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1kvz h LEU 23 N -0.03 0.00 -0.28 1.20 4.07 -1.66 -3.37 115.31 115.23 1kvz h LEU 23 Ca -0.56 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.44 1kvz h LEU 23 Cb 1.91 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.61 1kvz h LEU 23 CO -0.08 0.55 0.03 -0.03 -1.08 0.00 0.00 178.44 177.84 1kvz h MET 24 N 0.00 0.12 0.00 1.13 4.05 -1.09 -1.87 114.93 117.27 1kvz h MET 24 Ca -0.09 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1kvz h MET 24 Cb 1.51 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.28 1kvz h MET 24 CO 0.06 0.08 0.00 -0.35 0.23 0.00 0.00 176.91 176.92 1kvz n PRO 25 N -5.12 0.89 -1.71 0.39 -0.04 -1.26 0.12 135.00 128.28 1kvz n PRO 25 Ca -0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1kvz n PRO 25 Cb 0.13 -1.38 0.13 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.88 0.00 0.81 0.52 -1.04 -0.70 -4.77 114.28 108.21 1kvz n THR 26 Ca 0.16 -0.93 0.13 0.00 -2.04 0.00 0.00 64.05 61.38 1kvz n THR 26 Cb 0.07 -1.39 0.43 0.00 -1.82 0.00 0.00 70.33 67.62 1kvz n THR 26 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1kvz n SER 27 N -3.39 0.45 0.08 8.00 3.41 -1.26 0.07 113.62 120.98 1kvz n SER 27 Ca 0.13 0.37 -0.10 0.00 -0.26 0.00 0.00 58.87 59.01 1kvz n SER 27 Cb 0.45 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1kvz n SER 27 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1kvz h LEU 28 N 0.00 0.24 0.00 1.04 5.85 -1.92 -3.36 115.31 117.16 1kvz h LEU 28 Ca 0.00 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 1kvz h LEU 28 Cb 0.62 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1kvz h LEU 28 CO 0.00 1.07 -1.54 0.49 -0.34 0.00 0.00 178.44 178.12 1kvz n PHE 29 N -3.58 0.00 -3.52 1.25 3.01 -1.23 -5.01 117.46 108.38 1kvz n PHE 29 Ca -0.04 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.17 1kvz n PHE 29 Cb 0.87 -0.39 -0.01 0.00 -0.01 0.00 0.00 39.48 39.95 1kvz n PHE 29 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1kvz n ASP 30 N -2.37 -3.69 -2.60 4.37 8.00 0.11 -2.68 116.55 117.69 1kvz n ASP 30 Ca -0.14 -0.50 -0.04 0.00 0.71 0.00 0.00 54.79 54.83 1kvz n ASP 30 Cb 0.75 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.81 1kvz n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kvz s LYS 32 N -2.56 2.10 -0.10 0.00 1.02 -1.09 -5.04 119.74 114.07 1kvz s LYS 32 Ca 0.11 0.11 -0.01 0.00 0.02 0.00 0.00 55.97 56.20 1kvz s LYS 32 Cb -0.03 -1.99 -0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1kvz s LYS 32 CO 0.58 -1.48 -0.02 -0.44 -0.92 0.00 0.00 175.35 173.07 1kvz h ASP 33 N -0.95 0.00 -4.84 2.83 3.32 -1.93 -3.45 116.42 111.39 1kvz h ASP 33 Ca -0.46 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 1kvz h ASP 33 Cb 1.32 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.66 1kvz h ASP 33 CO 0.65 0.50 -0.28 -0.54 -1.72 0.00 0.00 179.24 177.85 1kvz s LYS 34 N -1.59 0.63 -0.01 3.56 1.02 -1.26 -2.00 119.74 120.08 1kvz s LYS 34 Ca -0.01 -0.11 -0.05 0.00 0.02 0.00 0.00 55.97 55.82 1kvz s LYS 34 Cb 0.00 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 1kvz s LYS 34 CO 0.02 -0.16 0.11 1.21 -0.92 0.00 0.00 175.35 175.60 1kvz s ASN 35 N -1.13 -0.00 -0.19 2.83 3.84 -0.84 -4.97 114.94 114.48 1kvz s ASN 35 Ca -0.12 -0.07 0.01 0.00 0.21 0.00 0.00 52.86 52.89 1kvz s ASN 35 Cb -0.05 0.21 0.02 0.00 -0.55 0.00 0.00 41.25 40.88 1kvz s ASN 35 CO 0.04 -0.24 -0.18 -0.89 -2.79 0.00 0.00 177.10 173.04 1kvz s THR 36 N -0.84 2.16 0.36 -5.21 2.01 -1.26 -0.07 115.64 112.78 1kvz s THR 36 Ca -0.09 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.01 1kvz s THR 36 Cb -0.05 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.51 1kvz s THR 36 CO 0.01 0.49 0.50 -0.36 -0.69 0.00 0.00 174.62 174.57 1kvz s PHE 37 N 1.29 3.06 -0.06 4.92 0.40 -0.40 -4.39 117.98 122.79 1kvz s PHE 37 Ca 0.04 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.19 1kvz s PHE 37 Cb -0.14 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 1kvz s PHE 37 CO -0.12 -0.11 -0.22 0.42 0.70 0.00 0.00 175.22 175.89 1kvz s ILE 38 N -2.23 2.31 -1.14 0.64 -1.09 0.52 -2.21 121.20 118.00 1kvz s ILE 38 Ca 0.47 -0.97 -0.06 0.00 -2.23 0.00 0.00 60.65 57.86 1kvz s ILE 38 Cb -0.10 -1.86 0.26 0.00 -1.58 0.00 0.00 42.46 39.18 1kvz s ILE 38 CO 0.32 0.57 1.58 0.00 -1.23 0.00 0.00 174.94 176.18 1kvz n TYR 39 N 2.92 2.62 -4.19 3.97 9.36 -0.88 -2.27 117.16 128.69 1kvz n TYR 39 Ca -0.17 -2.71 -0.15 0.00 3.32 0.00 0.00 57.90 58.19 1kvz n TYR 39 Cb 0.52 -1.49 -0.08 0.00 -0.63 0.00 0.00 39.34 37.66 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 -0.80 0.80 0.29 2.98 0.15 -1.26 -4.68 113.70 111.18 1kvz s SER 40 Ca 0.34 -1.50 -0.14 0.00 0.70 0.00 0.00 55.95 55.35 1kvz s SER 40 Cb 0.05 0.51 -0.08 0.00 -1.71 0.00 0.00 66.02 64.79 1kvz s SER 40 CO 0.07 -1.02 0.69 -0.76 1.20 0.00 0.00 173.24 173.42 1kvz s LEU 41 N -3.24 4.12 0.08 3.45 2.01 -1.26 -4.69 118.68 119.16 1kvz s LEU 41 Ca 0.37 1.22 0.25 0.00 0.01 0.00 0.00 54.13 55.97 1kvz s LEU 41 Cb 0.03 -3.92 0.98 0.00 0.01 0.00 0.00 46.19 43.29 1kvz s LEU 41 CO 0.19 -0.14 1.77 -0.81 1.01 0.00 0.00 176.35 178.37 1kvz n PRO 42 N -0.16 0.09 0.13 1.29 -0.04 -1.26 -2.53 135.00 132.52 1kvz n PRO 42 Ca 0.02 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1kvz n PRO 42 Cb 0.53 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 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 4.05 -0.42 2.00 0.55 0.00 -1.97 -1.14 103.07 106.14 1kvz h GLY 43 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.36 1kvz h GLY 43 CO 0.00 -0.15 -0.60 -0.56 0.00 0.00 0.00 176.54 175.23 1kvz h PRO 44 N -1.02 0.00 -0.06 4.80 0.13 -1.99 -0.51 132.00 133.35 1kvz h PRO 44 Ca -0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1kvz h PRO 44 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1kvz h PRO 44 CO 0.07 0.60 -0.16 0.28 -0.23 0.00 0.00 178.00 178.55 1kvz h VAL 45 N 0.00 1.43 0.00 1.56 2.07 -1.60 -2.95 116.25 116.77 1kvz h VAL 45 Ca -0.01 -1.53 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 1kvz h VAL 45 Cb 1.15 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1kvz h VAL 45 CO 0.08 0.43 -0.22 0.50 0.02 0.00 0.00 177.57 178.38 1kvz h LYS 46 N -0.30 0.00 -0.17 1.57 3.64 -1.20 -2.51 116.57 117.59 1kvz h LYS 46 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1kvz h LYS 46 Cb 0.77 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1kvz h LYS 46 CO 0.03 0.22 0.11 0.00 -2.27 0.00 0.00 179.45 177.55 1kvz h ALA 47 N 1.78 1.88 -0.35 5.00 0.00 -0.91 -0.91 119.26 125.76 1kvz h ALA 47 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1kvz h ALA 47 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1kvz h ALA 47 CO 0.03 0.11 0.07 -0.07 0.00 0.00 0.00 179.25 179.39 1kvz h LEU 48 N 0.23 0.48 0.00 0.00 3.38 -1.42 -2.03 115.31 115.94 1kvz h LEU 48 Ca 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kvz h LEU 48 Cb -0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1kvz h LEU 48 CO -0.01 0.49 -0.12 0.00 0.09 0.00 0.00 178.44 178.89 1kvz n ARG 50 N -3.05 0.54 0.00 0.00 0.63 -0.77 -0.62 116.66 113.40 1kvz n ARG 50 Ca 0.04 -0.51 0.00 0.00 -0.92 0.00 0.00 57.85 56.45 1kvz n ARG 50 Cb 0.53 -3.12 0.00 0.00 0.45 0.00 0.00 32.46 30.32 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 6.44 1.26 3.72 5.14 0.00 -1.26 -5.06 105.19 115.43 1kvz n GLY 51 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 1kvz n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kvz s VAL 52 N -0.17 4.63 -0.10 1.61 0.11 0.21 -4.93 120.40 121.76 1kvz s VAL 52 Ca 0.00 2.00 0.02 0.00 -2.93 0.00 0.00 61.98 61.06 1kvz s VAL 52 Cb 0.00 -4.28 -0.07 0.00 -1.53 0.00 0.00 36.38 30.50 1kvz s VAL 52 CO 0.00 0.21 -0.08 -0.38 -3.33 0.00 0.00 175.10 171.53 1kvz n ILE 53 N 3.46 0.60 -3.84 7.04 2.08 -1.26 -0.77 119.36 126.67 1kvz n ILE 53 Ca 0.05 -0.25 -0.25 0.00 0.56 0.00 0.00 62.75 62.86 1kvz n ILE 53 Cb 0.50 -0.86 -0.02 0.00 -0.75 0.00 0.00 39.64 38.50 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 -2.21 2.04 0.08 1.39 -0.12 -1.26 -0.69 117.98 117.21 1kvz s PHE 54 Ca -0.13 -0.72 -0.32 0.00 -0.05 0.00 0.00 56.93 55.71 1kvz s PHE 54 Cb 0.04 -1.99 -0.12 0.00 -0.63 0.00 0.00 43.02 40.33 1kvz s PHE 54 CO 0.26 -0.29 1.80 -1.13 -0.05 0.00 0.00 175.22 175.81 1kvz n SER 55 N -1.63 3.73 -3.89 1.98 3.41 -1.25 -4.01 113.62 111.97 1kvz n SER 55 Ca -0.00 1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 59.51 1kvz n SER 55 Cb 0.64 -1.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.01 1kvz n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kvz s ALA 56 N 2.72 -0.21 -0.32 7.33 0.00 0.41 -4.92 121.76 126.77 1kvz s ALA 56 Ca 0.84 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.26 1kvz s ALA 56 Cb -0.56 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1kvz s ALA 56 CO 0.41 -0.32 0.33 0.16 0.00 0.00 0.00 175.76 176.33 1kvz s ASP 57 N -2.03 6.16 -0.24 0.00 -4.77 -1.26 0.15 116.67 114.68 1kvz s ASP 57 Ca -0.06 -0.12 -0.08 0.00 -3.30 0.00 0.00 52.55 48.99 1kvz s ASP 57 Cb -0.02 -2.18 -0.04 0.00 -1.09 0.00 0.00 42.92 39.59 1kvz s ASP 57 CO -0.04 -0.26 0.09 -0.69 0.70 0.00 0.00 175.17 174.98 1kvz s VAL 58 N 1.96 4.65 -0.14 2.11 1.01 0.17 -4.89 120.40 125.27 1kvz s VAL 58 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1kvz s VAL 58 Cb -0.16 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1kvz s VAL 58 CO 0.11 0.35 -0.01 -0.76 0.00 0.00 0.00 175.10 174.79 1kvz s LEU 59 N 1.34 3.46 0.21 3.92 1.43 -1.26 -0.81 118.68 126.96 1kvz s LEU 59 Ca 0.06 -0.01 -0.32 0.00 -1.03 0.00 0.00 54.13 52.82 1kvz s LEU 59 Cb -0.15 -1.83 -0.14 0.00 0.03 0.00 0.00 46.19 44.11 1kvz s LEU 59 CO 0.05 0.23 1.38 -1.54 0.23 0.00 0.00 176.35 176.70 1kvz n SER 60 N 3.14 2.51 0.05 2.29 3.41 -0.67 -4.87 113.62 119.49 1kvz n SER 60 Ca -0.17 1.13 -0.02 0.00 -0.26 0.00 0.00 58.87 59.55 1kvz n SER 60 Cb 0.53 -1.38 0.24 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 4.29 0.38 -3.88 4.04 4.21 -1.97 -3.44 115.58 119.20 1kvz h ASN 61 Ca -0.45 -0.13 -0.24 0.00 1.21 0.00 0.00 56.30 56.70 1kvz h ASN 61 Cb 1.29 -0.10 -0.27 0.00 -1.12 0.00 0.00 38.32 38.11 1kvz h ASN 61 CO 0.76 0.64 -0.72 -0.44 -1.29 0.00 0.00 177.43 176.39 1kvz s SER 62 N -6.84 0.12 0.36 5.81 0.01 -1.26 -5.13 113.70 106.77 1kvz s SER 62 Ca -0.06 -0.07 -0.28 0.00 1.31 0.00 0.00 55.95 56.85 1kvz s SER 62 Cb 0.14 -0.00 -0.11 0.00 0.21 0.00 0.00 66.02 66.26 1kvz s SER 62 CO 0.78 -0.02 1.50 -1.83 0.41 0.00 0.00 173.24 174.08 1kvz s GLU 63 N -0.17 4.12 0.48 12.44 -1.05 -1.26 -4.82 118.70 128.45 1kvz s GLU 63 Ca -0.01 2.56 0.02 0.00 -0.15 0.00 0.00 54.97 57.39 1kvz s GLU 63 Cb -0.01 -2.98 -0.03 0.00 -0.44 0.00 0.00 34.13 30.67 1kvz s GLU 63 CO -0.00 -0.54 0.01 -0.06 0.95 0.00 0.00 175.26 175.62 1kvz s PHE 64 N -0.89 1.97 0.39 4.83 0.08 -0.95 -4.73 117.98 118.69 1kvz s PHE 64 Ca 0.55 -0.93 -0.26 0.00 0.12 0.00 0.00 56.93 56.41 1kvz s PHE 64 Cb -0.46 -1.61 -0.09 0.00 -0.57 0.00 0.00 43.02 40.29 1kvz s PHE 64 CO 0.60 0.23 1.16 0.71 -0.10 0.00 0.00 175.22 177.82 1kvz s TYR 65 N -2.88 3.11 -0.10 0.36 2.02 -1.26 -2.50 117.35 116.10 1kvz s TYR 65 Ca 0.12 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.39 1kvz s TYR 65 Cb 0.03 -3.38 0.02 0.00 -0.40 0.00 0.00 41.96 38.23 1kvz s TYR 65 CO 0.06 -1.24 -0.10 -0.51 -1.57 0.00 0.00 175.55 172.19 1kvz s LEU 66 N -2.41 1.39 -0.63 -1.29 1.43 0.10 -2.08 118.68 115.19 1kvz s LEU 66 Ca 0.56 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1kvz s LEU 66 Cb -0.30 -0.88 0.16 0.00 0.03 0.00 0.00 46.19 45.19 1kvz s LEU 66 CO 0.38 -0.06 0.55 0.00 0.23 0.00 0.00 176.35 177.45 1kvz s ALA 67 N 1.36 3.73 0.15 4.21 0.00 -0.94 -2.21 121.76 128.07 1kvz s ALA 67 Ca -0.01 -2.88 0.02 0.00 0.00 0.00 0.00 51.96 49.10 1kvz s ALA 67 Cb -0.14 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1kvz s ALA 67 CO -0.05 -2.09 0.29 -1.83 0.00 0.00 0.00 175.76 172.08 1kvz s GLU 68 N 0.89 3.45 -0.24 0.00 -1.05 -0.61 -1.28 118.70 119.87 1kvz s GLU 68 Ca 0.10 -0.56 0.02 0.00 -0.15 0.00 0.00 54.97 54.37 1kvz s GLU 68 Cb -0.22 -2.96 0.05 0.00 -0.44 0.00 0.00 34.13 30.57 1kvz s GLU 68 CO -0.02 0.51 -0.09 0.00 0.95 0.00 0.00 175.26 176.60 1kvz s ASN 70 N 1.27 5.61 -0.14 0.00 0.02 -0.59 -1.98 114.94 119.14 1kvz s ASN 70 Ca -0.06 0.09 -0.29 0.00 -1.02 0.00 0.00 52.86 51.58 1kvz s ASN 70 Cb -0.19 -1.94 -0.05 0.00 0.02 0.00 0.00 41.25 39.10 1kvz s ASN 70 CO -0.06 0.19 1.76 -0.69 0.02 0.00 0.00 177.10 178.32 1kvz s VAL 71 N 0.26 3.47 0.45 1.60 1.01 -0.85 -1.15 120.40 125.20 1kvz s VAL 71 Ca 0.04 0.55 -0.25 0.00 0.00 0.00 0.00 61.98 62.31 1kvz s VAL 71 Cb -0.12 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 1kvz s VAL 71 CO 0.00 -0.15 1.34 -0.54 0.00 0.00 0.00 175.10 175.75 1kvz s LYS 72 N 4.69 3.71 0.57 2.72 1.02 -0.24 -4.96 119.74 127.24 1kvz s LYS 72 Ca 0.78 2.22 -0.12 0.00 0.02 0.00 0.00 55.97 58.87 1kvz s LYS 72 Cb -0.31 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 1kvz s LYS 72 CO 0.32 -0.73 0.99 -1.25 -0.92 0.00 0.00 175.35 173.76 1kvz s PRO 73 N -2.46 3.71 -1.94 -1.68 0.04 -1.26 -3.75 135.00 127.66 1kvz s PRO 73 Ca 0.61 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1kvz s PRO 73 Cb -0.39 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1kvz s PRO 73 CO 0.50 -0.43 0.00 0.54 0.04 0.00 0.00 177.00 177.64 1kvz n ARG 74 N -2.30 -1.61 -3.75 4.56 1.74 -1.26 -4.96 116.66 109.08 1kvz n ARG 74 Ca 0.06 1.09 -0.13 0.00 -0.77 0.00 0.00 57.85 58.09 1kvz n ARG 74 Cb 0.54 -5.66 -0.14 0.00 -1.02 0.00 0.00 32.46 26.18 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 -4.60 0.11 -0.31 5.56 1.02 -1.25 -5.13 119.74 115.15 1kvz s LYS 75 Ca 0.00 0.39 -0.29 0.00 0.02 0.00 0.00 55.97 56.09 1kvz s LYS 75 Cb 0.00 -0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.16 1kvz s LYS 75 CO 0.00 -0.16 1.18 -1.25 -0.92 0.00 0.00 175.35 174.19 1kvz s PRO 76 N 1.16 4.00 -0.46 -1.68 0.04 -1.26 -4.39 135.00 132.40 1kvz s PRO 76 Ca -0.09 1.14 -0.33 0.00 0.04 0.00 0.00 61.00 61.76 1kvz s PRO 76 Cb -0.11 -3.80 0.05 0.00 0.04 0.00 0.00 34.50 30.68 1kvz s PRO 76 CO -0.06 -1.00 0.65 0.00 0.04 0.00 0.00 177.00 176.63 1kvz s LYS 78 N -2.59 0.15 0.23 0.00 1.02 -1.26 -5.04 119.74 112.24 1kvz s LYS 78 Ca 0.34 0.55 0.03 0.00 0.02 0.00 0.00 55.97 56.91 1kvz s LYS 78 Cb -0.04 -0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.10 1kvz s LYS 78 CO 0.86 -0.21 0.38 0.71 -0.92 0.00 0.00 175.35 176.17 1kvz s TYR 79 N 1.63 3.47 -0.07 3.18 2.02 -1.26 -1.08 117.35 125.23 1kvz s TYR 79 Ca -0.05 0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 1kvz s TYR 79 Cb -0.11 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 1kvz s TYR 79 CO -0.08 0.39 -0.07 0.21 -1.57 0.00 0.00 175.55 174.43 1kvz s LYS 80 N -3.77 1.22 0.25 -0.62 2.36 -0.30 -4.80 119.74 114.09 1kvz s LYS 80 Ca 0.36 -0.20 -0.29 0.00 -2.55 0.00 0.00 55.97 53.29 1kvz s LYS 80 Cb -0.10 -1.20 -0.09 0.00 -1.05 0.00 0.00 37.83 35.39 1kvz s LYS 80 CO 0.30 -0.12 0.93 -1.17 1.55 0.00 0.00 175.35 176.84 1kvz s LEU 81 N 1.17 4.58 -0.03 5.43 1.98 -1.26 -1.55 118.68 129.00 1kvz s LEU 81 Ca -0.06 1.91 -0.08 0.00 -2.89 0.00 0.00 54.13 53.01 1kvz s LEU 81 Cb -0.14 -3.68 0.01 0.00 0.66 0.00 0.00 46.19 43.05 1kvz s LEU 81 CO -0.02 0.12 0.18 -0.75 -1.89 0.00 0.00 176.35 173.99 1kvz s LYS 82 N -1.36 0.39 -0.03 1.98 2.47 -0.56 -4.99 119.74 117.64 1kvz s LYS 82 Ca 0.43 -0.08 0.06 0.00 -1.56 0.00 0.00 55.97 54.81 1kvz s LYS 82 Cb -0.24 0.17 -0.02 0.00 -1.46 0.00 0.00 37.83 36.27 1kvz s LYS 82 CO 0.30 -0.08 -0.19 -1.59 0.16 0.00 0.00 175.35 173.95 1kvz s LYS 83 N -0.72 2.30 -0.05 4.03 -2.85 -1.26 -1.57 119.74 119.62 1kvz s LYS 83 Ca -0.08 -0.82 -0.30 0.00 -1.00 0.00 0.00 55.97 53.77 1kvz s LYS 83 Cb -0.05 -2.23 0.08 0.00 -2.06 0.00 0.00 37.83 33.57 1kvz s LYS 83 CO 0.01 0.59 0.73 -1.12 0.10 0.00 0.00 175.35 175.66 1kvz s SER 84 N -0.79 -0.60 -0.22 0.03 0.01 -0.94 -4.95 113.70 106.25 1kvz s SER 84 Ca 0.11 0.60 -0.08 0.00 1.31 0.00 0.00 55.95 57.89 1kvz s SER 84 Cb -0.10 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 1kvz s SER 84 CO 0.01 -0.59 0.07 -0.94 0.41 0.00 0.00 173.24 172.20 1kvz s SER 85 N -1.32 5.41 0.10 2.44 1.04 -1.26 0.01 113.70 120.12 1kvz s SER 85 Ca -0.08 -0.06 -0.27 0.00 0.48 0.00 0.00 55.95 56.02 1kvz s SER 85 Cb -0.00 -1.95 0.08 0.00 0.10 0.00 0.00 66.02 64.24 1kvz s SER 85 CO 0.06 0.06 1.06 0.21 0.98 0.00 0.00 173.24 175.61 1kvz s ASN 86 N 1.06 -0.14 0.71 7.02 2.47 -1.04 -4.90 114.94 120.12 1kvz s ASN 86 Ca 0.04 -0.33 -0.04 0.00 0.42 0.00 0.00 52.86 52.96 1kvz s ASN 86 Cb -0.14 0.39 0.10 0.00 -1.45 0.00 0.00 41.25 40.15 1kvz s ASN 86 CO 0.03 -0.72 0.99 -0.13 -3.72 0.00 0.00 177.10 173.55 1kvz s ARG 87 N -3.03 1.87 -0.10 0.43 0.52 -1.26 -2.23 118.95 115.15 1kvz s ARG 87 Ca 0.13 -0.75 -0.09 0.00 -0.52 0.00 0.00 55.73 54.50 1kvz s ARG 87 Cb 0.00 -2.27 0.03 0.00 0.52 0.00 0.00 34.95 33.23 1kvz s ARG 87 CO 0.01 -1.35 0.27 0.96 0.02 0.00 0.00 175.30 175.20 1kvz s ILE 88 N -3.17 -0.00 -0.24 1.52 -4.36 -1.26 -2.56 121.20 111.12 1kvz s ILE 88 Ca 0.64 0.02 -0.06 0.00 -0.26 0.00 0.00 60.65 60.98 1kvz s ILE 88 Cb -0.08 -0.38 -0.02 0.00 1.25 0.00 0.00 42.46 43.23 1kvz s ILE 88 CO 0.44 0.01 0.03 0.00 0.24 0.00 0.00 174.94 175.66 1kvz s ILE 90 N 1.52 1.77 -0.26 0.00 -4.36 0.01 -0.38 121.20 119.50 1kvz s ILE 90 Ca 0.06 -2.18 -0.09 0.00 -0.26 0.00 0.00 60.65 58.19 1kvz s ILE 90 Cb -0.15 -2.34 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 1kvz s ILE 90 CO 0.01 -0.38 0.11 -0.60 0.24 0.00 0.00 174.94 174.32 1kvz s ARG 91 N -3.68 3.77 0.00 0.37 6.06 -0.13 0.45 118.95 125.79 1kvz s ARG 91 Ca 0.28 -0.42 0.07 0.00 -2.50 0.00 0.00 55.73 53.16 1kvz s ARG 91 Cb 0.02 -3.43 -0.03 0.00 0.06 0.00 0.00 34.95 31.57 1kvz s ARG 91 CO 0.11 -0.16 -0.20 0.00 -2.50 0.00 0.00 175.30 172.55 1kvz s GLU 93 N -1.02 0.81 -2.09 0.00 -1.05 -0.76 -0.44 118.70 114.14 1kvz s GLU 93 Ca 0.12 0.19 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 1kvz s GLU 93 Cb -0.10 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1kvz s GLU 93 CO 0.02 -0.21 0.00 0.72 0.95 0.00 0.00 175.26 176.74 1kvz n HIS 94 N 1.48 -0.19 -2.70 4.83 8.25 0.13 -1.63 115.22 125.39 1kvz n HIS 94 Ca -0.19 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.20 1kvz n HIS 94 Cb 0.56 -3.49 0.02 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 -2.45 -2.16 -3.65 -0.41 1.02 0.05 -4.96 120.64 108.08 1kvz n GLU 95 Ca -0.21 0.29 -0.08 0.00 -0.02 0.00 0.00 57.16 57.13 1kvz n GLU 95 Cb 0.67 -3.74 -0.08 0.00 -0.02 0.00 0.00 31.44 28.27 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 -2.83 -0.79 -0.36 -4.62 2.34 -0.65 -4.75 118.68 107.03 1kvz s LEU 96 Ca 0.15 1.42 -0.29 0.00 0.06 0.00 0.00 54.13 55.47 1kvz s LEU 96 Cb -0.07 2.24 0.01 0.00 -0.56 0.00 0.00 46.19 47.82 1kvz s LEU 96 CO 0.19 -0.23 1.21 -2.16 -1.06 0.00 0.00 176.35 174.29 1kvz s PRO 97 N 1.45 3.88 -0.08 1.48 0.04 -1.26 -1.82 135.00 138.69 1kvz s PRO 97 Ca -0.09 1.00 0.17 0.00 0.04 0.00 0.00 61.00 62.12 1kvz s PRO 97 Cb -0.05 -3.86 -0.26 0.00 0.04 0.00 0.00 34.50 30.37 1kvz s PRO 97 CO -0.17 -1.17 0.28 1.33 0.04 0.00 0.00 177.00 177.31 1kvz n VAL 98 N 6.36 0.44 -4.34 -0.36 0.24 -0.81 -3.93 118.33 115.92 1kvz n VAL 98 Ca 0.13 -0.54 -0.18 0.00 -2.04 0.00 0.00 64.34 61.72 1kvz n VAL 98 Cb 0.47 -0.16 -0.10 0.00 -1.47 0.00 0.00 33.84 32.59 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 -2.96 1.60 -0.14 6.34 3.76 -1.21 -4.47 115.29 118.21 1kvz s HIS 99 Ca -0.07 -1.22 0.01 0.00 -0.15 0.00 0.00 55.06 53.63 1kvz s HIS 99 Cb 0.09 -0.93 0.02 0.00 1.11 0.00 0.00 32.58 32.87 1kvz s HIS 99 CO 0.74 -0.36 -0.17 -0.59 -0.85 0.00 0.00 174.74 173.52 1kvz s PHE 100 N -3.65 2.27 -0.04 1.40 -0.71 -1.26 -0.96 117.98 115.03 1kvz s PHE 100 Ca 0.36 -1.19 -0.24 0.00 -1.04 0.00 0.00 56.93 54.82 1kvz s PHE 100 Cb 0.07 -1.62 -0.22 0.00 -1.21 0.00 0.00 43.02 40.04 1kvz s PHE 100 CO 0.15 -0.60 1.09 0.00 -1.34 0.00 0.00 175.22 174.51 1kvz h ALA 101 N 7.65 0.05 0.00 1.99 0.00 -0.99 -3.46 119.26 124.50 1kvz h ALA 101 Ca -0.35 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1kvz h ALA 101 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kvz h ALA 101 CO 0.53 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1kvz n GLY 102 N 0.86 -0.54 3.29 0.00 0.00 -0.92 -5.02 105.19 102.86 1kvz n GLY 102 Ca -0.09 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.01 1.63 0.00 1.61 0.11 -1.26 -1.45 120.40 118.03 1kvz s VAL 103 Ca 0.00 -1.80 0.00 0.00 -2.93 0.00 0.00 61.98 57.25 1kvz s VAL 103 Cb 0.00 -1.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.15 1kvz s VAL 103 CO 0.00 -0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.06 1kvz n GLY 104 N 0.48 2.07 3.49 6.54 0.00 -1.06 -4.83 105.19 111.87 1kvz n GLY 104 Ca -0.15 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 1.46 0.21 -0.61 -4.36 -1.26 -4.60 121.20 112.04 1kvz s ILE 105 Ca 0.00 -2.02 0.10 0.00 -0.26 0.00 0.00 60.65 58.47 1kvz s ILE 105 Cb 0.00 -2.81 -0.05 0.00 1.25 0.00 0.00 42.46 40.86 1kvz s ILE 105 CO 0.00 -0.04 -0.19 0.00 0.24 0.00 0.00 174.94 174.96