#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 0.81 0.00 0.03 -2.07 -1.26 -5.07 119.66 112.10 1kvz s GLN 2 Ca 0.00 0.95 0.00 0.00 -1.82 0.00 0.00 55.36 54.49 1kvz s GLN 2 Cb 0.00 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 1kvz s GLN 2 CO 0.00 -0.10 0.00 -0.25 -1.32 0.00 0.00 175.29 173.62 1kvz n ASP 3 N 2.68 0.31 0.06 12.60 9.92 -1.26 -4.95 116.55 135.91 1kvz n ASP 3 Ca -0.14 -0.95 0.12 0.00 -0.53 0.00 0.00 54.79 53.29 1kvz n ASP 3 Cb 0.55 0.00 0.59 0.00 -0.64 0.00 0.00 41.12 41.62 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 0.95 0.18 -0.04 1.24 -0.00 -1.91 0.95 115.95 117.32 1kvz h TRP 4 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.83 1kvz h TRP 4 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.09 1kvz h TRP 4 CO 0.00 0.10 -0.27 0.00 -0.00 0.00 0.00 178.44 178.26 1kvz h ALA 5 N 1.81 1.48 -0.00 2.65 0.00 -1.95 0.04 119.26 123.29 1kvz h ALA 5 Ca 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1kvz h ALA 5 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1kvz h ALA 5 CO -0.03 0.38 -0.01 1.15 0.00 0.00 0.00 179.25 180.75 1kvz h THR 6 N 0.06 1.48 0.00 0.00 2.02 -1.20 -2.73 112.91 112.54 1kvz h THR 6 Ca 0.01 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.77 1kvz h THR 6 Cb 0.52 2.43 -0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1kvz h THR 6 CO 0.04 0.37 -0.02 0.15 0.37 0.00 0.00 175.52 176.43 1kvz h PHE 7 N -0.58 0.00 0.07 3.16 3.04 -1.23 0.23 116.94 121.63 1kvz h PHE 7 Ca -0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1kvz h PHE 7 Cb 0.61 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.12 1kvz h PHE 7 CO 0.14 0.02 -0.03 -0.22 -2.02 0.00 0.00 178.31 176.19 1kvz h LYS 8 N 0.00 -0.09 0.00 1.11 3.64 -0.69 0.31 116.57 120.84 1kvz h LYS 8 Ca -0.00 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1kvz h LYS 8 Cb 0.10 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1kvz h LYS 8 CO 0.00 0.27 -0.31 0.87 -2.27 0.00 0.00 179.45 178.02 1kvz h LYS 9 N -0.47 0.00 0.00 1.90 1.57 -1.20 -1.99 116.57 116.39 1kvz h LYS 9 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1kvz h LYS 9 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1kvz h LYS 9 CO 0.02 0.30 -0.22 0.87 -0.57 0.00 0.00 179.45 179.85 1kvz h LYS 10 N 0.00 0.00 0.00 3.15 1.79 -0.51 -3.42 116.57 117.58 1kvz h LYS 10 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1kvz h LYS 10 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1kvz h LYS 10 CO 0.04 0.44 -0.00 0.72 -1.08 0.00 0.00 179.45 179.57 1kvz n HIS 11 N -4.66 0.00 -5.16 -1.35 8.25 0.10 -4.38 115.22 108.01 1kvz n HIS 11 Ca -0.08 -0.51 -0.32 0.00 -0.26 0.00 0.00 57.72 56.55 1kvz n HIS 11 Cb 0.27 -0.06 -0.16 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.11 2.23 0.09 2.41 1.43 -0.74 0.30 118.68 123.30 1kvz s LEU 12 Ca 0.03 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 1kvz s LEU 12 Cb 0.03 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 1kvz s LEU 12 CO 0.00 0.25 0.19 0.42 0.23 0.00 0.00 176.35 177.44 1kvz s THR 13 N -0.20 0.14 -0.21 5.49 -4.23 -0.79 -4.50 115.64 111.33 1kvz s THR 13 Ca -0.02 -1.23 0.14 0.00 -1.18 0.00 0.00 61.69 59.39 1kvz s THR 13 Cb -0.13 -1.41 0.45 0.00 1.34 0.00 0.00 72.50 72.75 1kvz s THR 13 CO 0.03 -0.63 1.34 -0.90 -0.54 0.00 0.00 174.62 173.93 1kvz n ASP 14 N -0.07 2.70 -3.62 3.99 5.75 -1.26 -3.99 116.55 120.05 1kvz n ASP 14 Ca -0.14 -3.44 -0.14 0.00 -0.01 0.00 0.00 54.79 51.05 1kvz n ASP 14 Cb 0.62 -0.55 -0.07 0.00 -1.03 0.00 0.00 41.12 40.10 1kvz n ASP 14 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1kvz s THR 15 N -3.05 0.00 0.35 2.12 -4.23 -1.26 -5.03 115.64 104.54 1kvz s THR 15 Ca 0.40 -0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.98 1kvz s THR 15 Cb 0.35 -1.00 0.13 0.00 1.34 0.00 0.00 72.50 73.33 1kvz s THR 15 CO 0.02 -0.00 1.86 -0.25 -0.54 0.00 0.00 174.62 175.70 1kvz h TRP 16 N 4.80 0.34 -3.55 3.99 7.01 -1.97 -3.38 115.95 123.18 1kvz h TRP 16 Ca -0.29 -0.05 -0.70 0.00 2.11 0.00 0.00 58.89 59.97 1kvz h TRP 16 Cb 1.16 -0.09 -0.19 0.00 -2.10 0.00 0.00 29.16 27.93 1kvz h TRP 16 CO 0.39 0.47 -0.32 -0.51 -2.79 0.00 0.00 178.44 175.68 1kvz s ASP 17 N -6.84 6.15 0.23 2.65 1.11 -1.26 -4.66 116.67 114.06 1kvz s ASP 17 Ca -0.06 -0.69 0.04 0.00 0.18 0.00 0.00 52.55 52.02 1kvz s ASP 17 Cb 0.15 -2.19 -0.03 0.00 1.07 0.00 0.00 42.92 41.92 1kvz s ASP 17 CO 0.75 -0.48 0.37 -0.69 1.18 0.00 0.00 175.17 176.30 1kvz s VAL 18 N 1.93 5.25 -0.60 -1.27 1.01 -1.26 -5.07 120.40 120.39 1kvz s VAL 18 Ca 0.09 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1kvz s VAL 18 Cb -0.18 -3.84 0.15 0.00 0.00 0.00 0.00 36.38 32.52 1kvz s VAL 18 CO 0.12 -0.31 0.50 -1.81 0.00 0.00 0.00 175.10 173.60 1kvz s ASP 19 N -3.83 6.04 -0.08 3.32 1.01 -1.26 -4.89 116.67 116.98 1kvz s ASP 19 Ca 0.35 -2.19 -0.04 0.00 0.71 0.00 0.00 52.55 51.38 1kvz s ASP 19 Cb -0.09 -2.09 -0.27 0.00 1.01 0.00 0.00 42.92 41.47 1kvz s ASP 19 CO 0.30 -0.67 0.52 0.00 0.21 0.00 0.00 175.17 175.53 1kvz h ASP 21 N 0.07 0.00 0.15 0.00 3.04 -1.90 0.26 116.42 118.04 1kvz h ASP 21 Ca -0.37 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.07 1kvz h ASP 21 Cb 2.04 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 40.33 1kvz h ASP 21 CO 0.11 0.00 -1.83 -1.13 -2.04 0.00 0.00 179.24 174.35 1kvz h ASN 22 N 0.00 0.49 -0.28 4.15 -1.24 -1.99 -3.34 115.58 113.38 1kvz h ASN 22 Ca 0.09 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.17 1kvz h ASN 22 Cb 0.54 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1kvz h ASN 22 CO -0.00 1.81 0.00 0.18 -1.29 0.00 0.00 177.43 178.12 1kvz n LEU 23 N -3.59 1.55 -0.02 0.34 7.99 -0.58 -4.19 117.00 118.50 1kvz n LEU 23 Ca -0.28 -0.78 -0.11 0.00 -0.01 0.00 0.00 56.01 54.83 1kvz n LEU 23 Cb 1.04 -0.20 -0.09 0.00 -0.11 0.00 0.00 43.42 44.05 1kvz n LEU 23 CO 0.46 0.37 0.40 -0.03 -1.51 0.00 0.00 177.39 177.08 1kvz h MET 24 N 1.62 -0.07 -0.95 3.23 1.85 -0.65 -3.30 114.93 116.66 1kvz h MET 24 Ca 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 1kvz h MET 24 Cb 0.40 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.43 1kvz h MET 24 CO 0.01 0.54 0.04 -0.35 -0.40 0.00 0.00 176.91 176.75 1kvz n PRO 25 N -4.78 1.53 -2.18 0.39 -0.04 -1.26 -0.06 135.00 128.60 1kvz n PRO 25 Ca -0.08 -0.55 -0.28 0.00 -0.04 0.00 0.00 63.50 62.55 1kvz n PRO 25 Cb 0.32 -1.48 0.17 0.00 -0.04 0.00 0.00 33.50 32.46 1kvz n PRO 25 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1kvz s THR 26 N -1.05 2.03 -0.15 0.52 2.01 -1.24 -4.79 115.64 112.96 1kvz s THR 26 Ca 0.10 -0.23 0.17 0.00 0.31 0.00 0.00 61.69 62.04 1kvz s THR 26 Cb 0.08 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1kvz s THR 26 CO 0.03 0.00 1.10 -1.28 -0.69 0.00 0.00 174.62 173.78 1kvz h SER 27 N -1.29 0.00 0.10 3.53 0.87 -1.91 0.51 113.55 115.36 1kvz h SER 27 Ca -0.41 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 59.92 1kvz h SER 27 Cb 1.24 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.22 1kvz h SER 27 CO 0.36 0.48 -0.95 0.25 -0.53 0.00 0.00 176.83 176.44 1kvz h LEU 28 N 0.00 0.66 0.07 2.23 5.85 -1.94 -3.36 115.31 118.82 1kvz h LEU 28 Ca -0.08 -0.85 -0.31 0.00 0.84 0.00 0.00 57.88 57.47 1kvz h LEU 28 Cb 1.43 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1kvz h LEU 28 CO 0.05 1.45 -1.71 0.49 -0.34 0.00 0.00 178.44 178.38 1kvz n PHE 29 N -4.01 1.16 -4.11 1.25 3.72 -1.26 -4.97 117.46 109.24 1kvz n PHE 29 Ca -0.13 0.34 -0.33 0.00 -0.05 0.00 0.00 57.45 57.28 1kvz n PHE 29 Cb 0.86 -1.14 -0.04 0.00 -0.94 0.00 0.00 39.48 38.22 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 -3.88 -1.01 -2.95 4.37 -0.08 0.18 -1.47 116.55 111.72 1kvz n ASP 30 Ca -0.32 -1.18 -0.13 0.00 -1.51 0.00 0.00 54.79 51.65 1kvz n ASP 30 Cb 0.90 -2.18 0.06 0.00 2.34 0.00 0.00 41.12 42.24 1kvz n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kvz s LYS 32 N -4.36 0.72 -0.06 0.00 -0.14 -0.54 -5.04 119.74 110.32 1kvz s LYS 32 Ca 0.29 0.08 -0.01 0.00 -1.36 0.00 0.00 55.97 54.97 1kvz s LYS 32 Cb -0.04 -1.81 -0.00 0.00 -1.68 0.00 0.00 37.83 34.30 1kvz s LYS 32 CO 0.60 -2.44 -0.01 -0.44 -0.76 0.00 0.00 175.35 172.30 1kvz h ASP 33 N -1.67 0.00 -5.12 2.83 5.19 -1.95 -3.44 116.42 112.26 1kvz h ASP 33 Ca -0.48 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.87 1kvz h ASP 33 Cb 1.31 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.69 1kvz h ASP 33 CO 0.53 0.30 -0.15 -1.59 -3.12 0.00 0.00 179.24 175.21 1kvz s LYS 34 N -1.37 1.09 -0.19 3.56 -2.85 -1.26 -1.82 119.74 116.90 1kvz s LYS 34 Ca -0.01 -0.85 -0.13 0.00 -1.00 0.00 0.00 55.97 53.98 1kvz s LYS 34 Cb 0.00 0.44 0.06 0.00 -2.06 0.00 0.00 37.83 36.27 1kvz s LYS 34 CO 0.02 -0.42 0.48 -0.80 0.10 0.00 0.00 175.35 174.73 1kvz s ASN 35 N -2.85 -0.59 -0.22 0.03 -0.87 -0.28 -4.96 114.94 105.20 1kvz s ASN 35 Ca 0.06 1.03 -0.08 0.00 -1.57 0.00 0.00 52.86 52.30 1kvz s ASN 35 Cb 0.02 0.95 -0.04 0.00 -0.02 0.00 0.00 41.25 42.16 1kvz s ASN 35 CO -0.09 -0.19 0.09 -0.89 -2.57 0.00 0.00 177.10 173.45 1kvz s THR 36 N 1.11 4.77 0.15 1.60 2.01 -1.26 -0.40 115.64 123.62 1kvz s THR 36 Ca -0.07 -0.03 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1kvz s THR 36 Cb -0.06 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1kvz s THR 36 CO -0.10 0.38 0.06 -0.36 -0.69 0.00 0.00 174.62 173.91 1kvz s PHE 37 N 0.99 3.00 -0.01 4.92 0.08 -0.72 -4.13 117.98 122.12 1kvz s PHE 37 Ca 0.05 -0.06 0.02 0.00 0.12 0.00 0.00 56.93 57.06 1kvz s PHE 37 Cb -0.14 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1kvz s PHE 37 CO 0.03 0.51 -0.04 0.42 -0.10 0.00 0.00 175.22 176.05 1kvz s ILE 38 N -1.66 3.88 -1.13 0.64 -1.09 0.15 -1.54 121.20 120.45 1kvz s ILE 38 Ca 0.29 -0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 58.02 1kvz s ILE 38 Cb -0.10 -2.69 0.26 0.00 -1.58 0.00 0.00 42.46 38.35 1kvz s ILE 38 CO 0.21 0.42 1.84 0.00 -1.23 0.00 0.00 174.94 176.17 1kvz n TYR 39 N 1.59 2.59 -4.32 3.97 9.36 -0.63 -1.89 117.16 127.83 1kvz n TYR 39 Ca -0.15 -2.63 -0.20 0.00 3.32 0.00 0.00 57.90 58.23 1kvz n TYR 39 Cb 0.53 -1.41 -0.08 0.00 -0.63 0.00 0.00 39.34 37.74 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 -0.92 1.71 0.16 2.98 0.15 -1.26 -4.69 113.70 111.84 1kvz s SER 40 Ca 0.39 -1.69 0.05 0.00 0.70 0.00 0.00 55.95 55.40 1kvz s SER 40 Cb 0.14 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.93 1kvz s SER 40 CO -0.04 -1.00 0.15 -0.76 1.20 0.00 0.00 173.24 172.79 1kvz s LEU 41 N -3.39 3.86 0.17 3.45 1.43 -1.26 -4.57 118.68 118.37 1kvz s LEU 41 Ca 0.37 -0.10 0.24 0.00 -1.03 0.00 0.00 54.13 53.62 1kvz s LEU 41 Cb 0.03 -2.47 0.91 0.00 0.03 0.00 0.00 46.19 44.69 1kvz s LEU 41 CO 0.23 0.07 1.74 -0.81 0.23 0.00 0.00 176.35 177.81 1kvz n PRO 42 N -0.36 0.17 0.13 1.29 -0.04 -1.26 -2.39 135.00 132.54 1kvz n PRO 42 Ca -0.08 0.26 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1kvz n PRO 42 Cb 0.55 -1.75 -0.06 0.00 -0.04 0.00 0.00 33.50 32.20 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 3.60 -0.42 2.00 0.55 0.00 -1.97 -1.95 103.07 104.88 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 -0.61 -0.56 0.00 0.00 0.00 176.54 175.22 1kvz h PRO 44 N -1.00 0.00 0.14 4.80 0.13 -1.99 -1.85 132.00 132.23 1kvz h PRO 44 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1kvz h PRO 44 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1kvz h PRO 44 CO 0.07 0.61 -0.07 0.28 -0.23 0.00 0.00 178.00 178.66 1kvz h VAL 45 N 0.00 0.90 0.00 1.56 2.07 -1.59 -3.12 116.25 116.08 1kvz h VAL 45 Ca -0.01 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1kvz h VAL 45 Cb 1.29 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1kvz h VAL 45 CO 0.08 0.24 -0.10 0.50 0.02 0.00 0.00 177.57 178.31 1kvz h LYS 46 N -0.85 0.00 -0.55 1.57 3.64 -1.44 -1.86 116.57 117.07 1kvz h LYS 46 Ca -0.02 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1kvz h LYS 46 Cb 0.54 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1kvz h LYS 46 CO 0.03 0.10 0.37 0.00 -2.27 0.00 0.00 179.45 177.67 1kvz h ALA 47 N 1.90 1.65 -0.84 5.00 0.00 -1.27 -1.69 119.26 124.01 1kvz h ALA 47 Ca -0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1kvz h ALA 47 Cb 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1kvz h ALA 47 CO 0.01 0.31 0.55 -0.07 0.00 0.00 0.00 179.25 180.05 1kvz h LEU 48 N 0.71 0.80 -0.02 0.00 3.38 -1.28 0.70 115.31 119.60 1kvz h LEU 48 Ca 0.21 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1kvz h LEU 48 Cb -0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1kvz h LEU 48 CO -0.05 0.51 -0.03 0.00 0.09 0.00 0.00 178.44 178.96 1kvz s ARG 50 N -2.79 1.66 0.00 0.00 3.52 0.23 -1.22 118.95 120.34 1kvz s ARG 50 Ca 0.21 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 1kvz s ARG 50 Cb 0.20 -4.81 0.00 0.00 -1.56 0.00 0.00 34.95 28.78 1kvz s ARG 50 CO 0.51 -4.40 0.00 0.41 -0.81 0.00 0.00 175.30 171.01 1kvz n GLY 51 N 6.81 1.10 3.80 8.12 0.00 -1.26 -5.08 105.19 118.69 1kvz n GLY 51 Ca 0.46 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 3.89 0.00 1.61 1.01 -0.36 -4.93 120.40 121.61 1kvz s VAL 52 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1kvz s VAL 52 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1kvz s VAL 52 CO 0.00 -0.25 0.00 -0.38 0.00 0.00 0.00 175.10 174.47 1kvz n ILE 53 N -0.90 0.00 -2.82 2.22 -0.00 -1.26 -0.99 119.36 115.61 1kvz n ILE 53 Ca 0.09 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.64 1kvz n ILE 53 Cb 0.53 -0.29 0.03 0.00 -0.00 0.00 0.00 39.64 39.91 1kvz n ILE 53 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 1kvz s PHE 54 N -1.46 2.64 -0.14 1.39 -0.12 -1.26 -1.19 117.98 117.84 1kvz s PHE 54 Ca 0.00 -0.25 -0.29 0.00 -0.05 0.00 0.00 56.93 56.34 1kvz s PHE 54 Cb 0.00 -2.57 -0.02 0.00 -0.63 0.00 0.00 43.02 39.80 1kvz s PHE 54 CO 0.00 -0.76 1.21 -1.54 -0.05 0.00 0.00 175.22 174.08 1kvz s SER 55 N -4.43 7.00 0.15 1.98 1.04 -1.24 -3.78 113.70 114.42 1kvz s SER 55 Ca 0.57 1.69 -0.10 0.00 0.48 0.00 0.00 55.95 58.60 1kvz s SER 55 Cb -0.09 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.48 1kvz s SER 55 CO 0.37 -0.69 0.29 0.00 0.98 0.00 0.00 173.24 174.19 1kvz s ALA 56 N 3.02 -0.12 -0.14 5.32 0.00 -0.59 -4.93 121.76 124.33 1kvz s ALA 56 Ca 0.54 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.59 1kvz s ALA 56 Cb -0.22 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 1kvz s ALA 56 CO 0.16 -0.64 0.26 -0.51 0.00 0.00 0.00 175.76 175.04 1kvz s ASP 57 N -2.94 6.45 0.21 0.00 1.11 -1.26 -0.20 116.67 120.03 1kvz s ASP 57 Ca 0.14 0.53 0.08 0.00 0.18 0.00 0.00 52.55 53.48 1kvz s ASP 57 Cb 0.03 -2.16 -0.05 0.00 1.07 0.00 0.00 42.92 41.81 1kvz s ASP 57 CO -0.02 0.19 -0.14 -0.69 1.18 0.00 0.00 175.17 175.70 1kvz s VAL 58 N -0.02 1.72 0.00 -1.27 1.01 0.17 -4.95 120.40 117.07 1kvz s VAL 58 Ca 0.16 -2.21 0.07 0.00 0.00 0.00 0.00 61.98 60.00 1kvz s VAL 58 Cb -0.13 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1kvz s VAL 58 CO 0.04 -0.58 -0.21 -0.76 0.00 0.00 0.00 175.10 173.60 1kvz s LEU 59 N -3.32 2.08 0.60 3.92 1.43 -1.26 -0.88 118.68 121.24 1kvz s LEU 59 Ca 0.23 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 1kvz s LEU 59 Cb -0.00 -1.03 -0.08 0.00 0.03 0.00 0.00 46.19 45.11 1kvz s LEU 59 CO 0.07 0.22 0.53 -1.54 0.23 0.00 0.00 176.35 175.87 1kvz n SER 60 N 2.36 -1.03 0.13 2.29 3.41 -0.66 -4.88 113.62 115.24 1kvz n SER 60 Ca -0.16 0.71 -0.02 0.00 -0.26 0.00 0.00 58.87 59.15 1kvz n SER 60 Cb 0.53 -1.18 0.18 0.00 -0.26 0.00 0.00 64.21 63.47 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 0.14 0.04 -5.04 4.04 -1.24 -1.99 -3.46 115.58 108.07 1kvz h ASN 61 Ca -0.46 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.45 1kvz h ASN 61 Cb 1.39 -0.01 -0.16 0.00 0.73 0.00 0.00 38.32 40.26 1kvz h ASN 61 CO 0.46 0.63 -0.14 -0.44 -1.29 0.00 0.00 177.43 176.65 1kvz s SER 62 N -6.86 -0.24 0.21 1.15 0.01 -1.26 -5.14 113.70 101.56 1kvz s SER 62 Ca -0.02 -0.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 1kvz s SER 62 Cb 0.13 0.41 -0.09 0.00 0.21 0.00 0.00 66.02 66.68 1kvz s SER 62 CO 0.77 -0.66 1.33 -1.61 0.41 0.00 0.00 173.24 173.48 1kvz s GLU 63 N -2.57 4.36 0.46 12.44 2.02 -1.26 -4.69 118.70 129.46 1kvz s GLU 63 Ca -0.05 2.11 0.05 0.00 0.02 0.00 0.00 54.97 57.10 1kvz s GLU 63 Cb -0.01 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 1kvz s GLU 63 CO -0.03 -0.28 0.06 -0.06 0.02 0.00 0.00 175.26 174.97 1kvz s PHE 64 N 0.06 2.22 0.38 1.61 0.08 -0.91 -4.73 117.98 116.68 1kvz s PHE 64 Ca 0.57 -0.78 -0.24 0.00 0.12 0.00 0.00 56.93 56.60 1kvz s PHE 64 Cb -0.38 -1.76 -0.09 0.00 -0.57 0.00 0.00 43.02 40.22 1kvz s PHE 64 CO 0.39 0.25 1.02 0.71 -0.10 0.00 0.00 175.22 177.50 1kvz s TYR 65 N -2.76 3.38 -0.16 0.36 1.51 -1.26 -2.45 117.35 115.97 1kvz s TYR 65 Ca 0.25 1.68 -0.01 0.00 -1.01 0.00 0.00 57.07 57.98 1kvz s TYR 65 Cb 0.05 -3.06 0.04 0.00 -0.11 0.00 0.00 41.96 38.88 1kvz s TYR 65 CO 0.13 -0.38 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.63 1kvz s LEU 66 N -2.51 1.48 -0.51 -1.29 1.43 0.77 -1.60 118.68 116.45 1kvz s LEU 66 Ca 0.56 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 1kvz s LEU 66 Cb -0.20 -0.85 0.12 0.00 0.03 0.00 0.00 46.19 45.28 1kvz s LEU 66 CO 0.26 -0.19 0.43 0.00 0.23 0.00 0.00 176.35 177.08 1kvz s ALA 67 N 1.68 3.54 0.52 4.21 0.00 -0.59 -1.26 121.76 129.86 1kvz s ALA 67 Ca 0.01 -2.49 0.08 0.00 0.00 0.00 0.00 51.96 49.57 1kvz s ALA 67 Cb -0.15 -3.08 0.05 0.00 0.00 0.00 0.00 23.12 19.94 1kvz s ALA 67 CO -0.08 -1.94 0.61 -1.83 0.00 0.00 0.00 175.76 172.52 1kvz s GLU 68 N 1.52 2.42 -0.03 0.00 -1.05 -0.34 -1.76 118.70 119.46 1kvz s GLU 68 Ca 0.04 -1.63 -0.03 0.00 -0.15 0.00 0.00 54.97 53.20 1kvz s GLU 68 Cb -0.28 -2.52 0.01 0.00 -0.44 0.00 0.00 34.13 30.91 1kvz s GLU 68 CO 0.02 -0.61 0.08 0.00 0.95 0.00 0.00 175.26 175.70 1kvz s ASN 70 N 0.17 0.51 -0.11 0.00 -0.87 -1.05 -1.13 114.94 112.47 1kvz s ASN 70 Ca -0.01 0.02 -0.29 0.00 -1.57 0.00 0.00 52.86 51.01 1kvz s ASN 70 Cb -0.02 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.25 41.00 1kvz s ASN 70 CO -0.00 -0.15 1.75 0.68 -2.57 0.00 0.00 177.10 176.80 1kvz s VAL 71 N 1.36 3.47 0.81 1.60 -7.23 -0.75 -2.28 120.40 117.37 1kvz s VAL 71 Ca -0.05 0.55 -0.15 0.00 -1.81 0.00 0.00 61.98 60.51 1kvz s VAL 71 Cb -0.13 -3.42 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 1kvz s VAL 71 CO -0.03 -0.12 0.25 0.29 -0.31 0.00 0.00 175.10 175.19 1kvz n LYS 72 N 7.51 0.07 -2.69 4.82 5.02 0.07 -4.92 118.16 128.05 1kvz n LYS 72 Ca 0.19 0.06 -0.37 0.00 -2.02 0.00 0.00 58.31 56.17 1kvz n LYS 72 Cb 0.43 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 1kvz n LYS 72 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1kvz s PRO 73 N -2.75 4.46 -1.95 1.97 0.04 -1.26 -3.29 135.00 132.22 1kvz s PRO 73 Ca 0.59 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1kvz s PRO 73 Cb -0.30 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1kvz s PRO 73 CO 0.65 0.14 0.00 0.54 0.04 0.00 0.00 177.00 178.37 1kvz n ARG 74 N 0.40 -1.48 -4.45 4.56 5.12 -1.26 -4.97 116.66 114.59 1kvz n ARG 74 Ca 0.03 1.11 -0.23 0.00 -1.93 0.00 0.00 57.85 56.82 1kvz n ARG 74 Cb 0.50 -5.56 -0.16 0.00 -1.16 0.00 0.00 32.46 26.07 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 -4.24 1.44 -0.59 5.56 1.02 -1.21 -5.10 119.74 116.63 1kvz s LYS 75 Ca 0.00 -0.32 -0.27 0.00 0.02 0.00 0.00 55.97 55.40 1kvz s LYS 75 Cb 0.00 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 1kvz s LYS 75 CO 0.00 -0.01 1.55 -1.25 -0.92 0.00 0.00 175.35 174.72 1kvz s PRO 76 N 0.75 3.09 -1.56 -1.68 0.04 -1.26 -4.07 135.00 130.31 1kvz s PRO 76 Ca -0.13 0.46 -0.15 0.00 0.04 0.00 0.00 61.00 61.22 1kvz s PRO 76 Cb -0.15 -4.22 0.12 0.00 0.04 0.00 0.00 34.50 30.29 1kvz s PRO 76 CO 0.02 -2.20 0.77 0.00 0.04 0.00 0.00 177.00 175.63 1kvz s LYS 78 N -6.63 3.74 0.12 0.00 1.02 -1.26 -5.00 119.74 111.73 1kvz s LYS 78 Ca 0.65 -0.31 -0.14 0.00 0.02 0.00 0.00 55.97 56.19 1kvz s LYS 78 Cb -0.34 -3.74 -0.07 0.00 -0.52 0.00 0.00 37.83 33.16 1kvz s LYS 78 CO 0.80 -0.39 0.52 0.71 -0.92 0.00 0.00 175.35 176.07 1kvz s TYR 79 N 1.95 3.63 -0.00 3.18 2.02 -1.26 -0.75 117.35 126.11 1kvz s TYR 79 Ca 0.11 1.04 0.08 0.00 -0.37 0.00 0.00 57.07 57.93 1kvz s TYR 79 Cb -0.16 -2.35 -0.02 0.00 -0.40 0.00 0.00 41.96 39.03 1kvz s TYR 79 CO 0.11 0.47 -0.25 0.21 -1.57 0.00 0.00 175.55 174.52 1kvz s LYS 80 N -1.81 1.98 0.01 -0.62 2.47 -0.97 -4.86 119.74 115.95 1kvz s LYS 80 Ca 0.35 -0.95 -0.16 0.00 -1.56 0.00 0.00 55.97 53.66 1kvz s LYS 80 Cb -0.15 -1.97 -0.06 0.00 -1.46 0.00 0.00 37.83 34.19 1kvz s LYS 80 CO 0.19 0.53 0.44 -1.17 0.16 0.00 0.00 175.35 175.50 1kvz s LEU 81 N -0.74 4.48 -0.00 5.43 0.20 -1.26 -2.53 118.68 124.26 1kvz s LEU 81 Ca 0.10 1.02 -0.00 0.00 0.69 0.00 0.00 54.13 55.94 1kvz s LEU 81 Cb -0.10 -2.65 -0.00 0.00 -0.43 0.00 0.00 46.19 43.01 1kvz s LEU 81 CO -0.00 0.31 0.01 -0.54 -0.29 0.00 0.00 176.35 175.83 1kvz s LYS 82 N -1.04 0.04 0.23 1.98 1.02 -0.99 -5.00 119.74 115.98 1kvz s LYS 82 Ca 0.25 -0.04 0.07 0.00 0.02 0.00 0.00 55.97 56.27 1kvz s LYS 82 Cb -0.17 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 1kvz s LYS 82 CO 0.14 -0.01 0.12 -1.59 -0.92 0.00 0.00 175.35 173.10 1kvz s LYS 83 N -0.12 2.73 0.31 1.68 0.00 -1.26 -1.20 119.74 121.88 1kvz s LYS 83 Ca -0.01 -1.10 -0.19 0.00 0.00 0.00 0.00 55.97 54.66 1kvz s LYS 83 Cb -0.01 -2.47 0.04 0.00 0.00 0.00 0.00 37.83 35.39 1kvz s LYS 83 CO -0.00 0.41 0.76 -1.12 0.00 0.00 0.00 175.35 175.41 1kvz s SER 84 N -3.58 -0.15 -0.25 0.03 0.01 -0.39 -4.93 113.70 104.43 1kvz s SER 84 Ca 0.32 -0.80 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 1kvz s SER 84 Cb -0.08 0.76 0.13 0.00 0.21 0.00 0.00 66.02 67.04 1kvz s SER 84 CO 0.23 -1.45 0.35 -0.94 0.41 0.00 0.00 173.24 171.84 1kvz s SER 85 N -2.99 0.57 0.09 2.44 1.04 -1.26 -0.17 113.70 113.42 1kvz s SER 85 Ca 0.13 -0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.30 1kvz s SER 85 Cb -0.05 0.95 0.09 0.00 0.10 0.00 0.00 66.02 67.10 1kvz s SER 85 CO 0.08 -0.32 1.16 0.54 0.98 0.00 0.00 173.24 175.69 1kvz s ASN 86 N 2.49 0.01 0.85 7.02 4.22 -1.03 -4.87 114.94 123.64 1kvz s ASN 86 Ca 0.11 -0.45 -0.05 0.00 -2.14 0.00 0.00 52.86 50.33 1kvz s ASN 86 Cb -0.15 0.33 0.08 0.00 1.28 0.00 0.00 41.25 42.79 1kvz s ASN 86 CO -0.19 -0.65 0.50 0.54 -2.04 0.00 0.00 177.10 175.25 1kvz n ARG 87 N -0.81 -0.26 -3.67 3.55 1.74 -1.26 -2.14 116.66 113.80 1kvz n ARG 87 Ca 0.01 -0.91 -0.14 0.00 -0.77 0.00 0.00 57.85 56.03 1kvz n ARG 87 Cb 0.59 -0.47 -0.07 0.00 -1.02 0.00 0.00 32.46 31.49 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 -1.85 0.04 -0.22 0.55 -4.36 -1.25 -1.69 121.20 112.43 1kvz s ILE 88 Ca 0.29 -0.35 -0.07 0.00 -0.26 0.00 0.00 60.65 60.27 1kvz s ILE 88 Cb -0.01 -0.81 -0.03 0.00 1.25 0.00 0.00 42.46 42.86 1kvz s ILE 88 CO 0.20 -0.19 0.04 0.00 0.24 0.00 0.00 174.94 175.23 1kvz s ILE 90 N 1.11 0.64 -0.11 0.00 2.07 -0.06 -0.49 121.20 124.36 1kvz s ILE 90 Ca 0.04 -1.25 -0.12 0.00 -1.41 0.00 0.00 60.65 57.91 1kvz s ILE 90 Cb -0.14 -0.84 -0.05 0.00 0.13 0.00 0.00 42.46 41.56 1kvz s ILE 90 CO 0.03 -0.44 0.27 -0.60 -1.91 0.00 0.00 174.94 172.28 1kvz s ARG 91 N -1.97 3.95 0.06 3.50 3.52 0.99 0.45 118.95 129.45 1kvz s ARG 91 Ca -0.05 0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.71 1kvz s ARG 91 Cb -0.08 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1kvz s ARG 91 CO -0.00 0.50 -0.21 0.00 -0.81 0.00 0.00 175.30 174.78 1kvz s GLU 93 N -1.37 0.73 -1.08 0.00 -1.05 -0.94 -1.54 118.70 113.45 1kvz s GLU 93 Ca 0.07 1.05 -0.01 0.00 -0.15 0.00 0.00 54.97 55.93 1kvz s GLU 93 Cb -0.09 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 1kvz s GLU 93 CO 0.02 -0.12 0.16 0.72 0.95 0.00 0.00 175.26 177.00 1kvz n HIS 94 N 3.45 -0.89 -2.61 4.83 8.25 -0.33 -1.76 115.22 126.15 1kvz n HIS 94 Ca -0.17 0.14 -0.20 0.00 -0.26 0.00 0.00 57.72 57.23 1kvz n HIS 94 Cb 0.57 -3.04 0.01 0.00 1.12 0.00 0.00 29.99 28.65 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 -2.51 -2.77 -3.72 -0.41 4.71 -0.16 -4.95 120.64 110.83 1kvz n GLU 95 Ca -0.12 0.90 -0.29 0.00 -0.01 0.00 0.00 57.16 57.63 1kvz n GLU 95 Cb 0.60 -5.52 -0.15 0.00 -1.01 0.00 0.00 31.44 25.36 1kvz n GLU 95 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1kvz s LEU 96 N -5.80 1.83 -0.81 -4.62 1.02 -0.72 -4.69 118.68 104.88 1kvz s LEU 96 Ca 0.12 -1.42 -0.26 0.00 0.02 0.00 0.00 54.13 52.59 1kvz s LEU 96 Cb -0.05 -0.76 0.03 0.00 0.02 0.00 0.00 46.19 45.43 1kvz s LEU 96 CO 0.14 -0.39 1.39 -2.16 0.02 0.00 0.00 176.35 175.35 1kvz s PRO 97 N 1.72 3.24 -0.00 1.29 0.04 -1.26 -2.22 135.00 137.81 1kvz s PRO 97 Ca 0.07 -0.42 0.08 0.00 0.04 0.00 0.00 61.00 60.77 1kvz s PRO 97 Cb -0.17 -4.54 -0.09 0.00 0.04 0.00 0.00 34.50 29.74 1kvz s PRO 97 CO -0.23 -2.24 0.35 1.33 0.04 0.00 0.00 177.00 176.25 1kvz n VAL 98 N 6.62 0.00 -3.90 -0.36 0.24 -0.72 -4.69 118.33 115.52 1kvz n VAL 98 Ca 0.13 -0.31 -0.35 0.00 -2.04 0.00 0.00 64.34 61.78 1kvz n VAL 98 Cb 0.50 1.00 -0.14 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.78 3.12 -0.76 6.34 3.76 -1.17 -4.77 115.29 120.02 1kvz s HIS 99 Ca 0.03 -1.46 -0.26 0.00 -0.15 0.00 0.00 55.06 53.22 1kvz s HIS 99 Cb 0.06 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 1kvz s HIS 99 CO 0.34 -0.70 1.77 0.12 -0.85 0.00 0.00 174.74 175.42 1kvz s PHE 100 N 1.36 1.87 0.15 1.40 5.36 -1.26 -0.01 117.98 126.85 1kvz s PHE 100 Ca -0.00 0.47 -0.11 0.00 -0.96 0.00 0.00 56.93 56.33 1kvz s PHE 100 Cb -0.17 -4.20 -0.01 0.00 -0.34 0.00 0.00 43.02 38.29 1kvz s PHE 100 CO -0.02 -2.06 1.53 0.00 -1.46 0.00 0.00 175.22 173.21 1kvz h ALA 101 N 12.61 0.64 0.00 11.12 0.00 -1.11 -3.48 119.26 139.04 1kvz h ALA 101 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1kvz h ALA 101 Cb 1.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1kvz h ALA 101 CO 1.24 0.65 0.00 0.41 0.00 0.00 0.00 179.25 181.55 1kvz n GLY 102 N -0.06 -0.55 3.35 0.00 0.00 -0.72 -4.98 105.19 102.23 1kvz n GLY 102 Ca -0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.25 1.77 0.00 1.61 0.11 -1.26 -1.66 120.40 117.72 1kvz s VAL 103 Ca 0.00 -2.22 0.00 0.00 -2.93 0.00 0.00 61.98 56.83 1kvz s VAL 103 Cb 0.00 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 1kvz s VAL 103 CO 0.00 -0.57 0.00 0.61 -3.33 0.00 0.00 175.10 171.81 1kvz n GLY 104 N -0.40 2.13 3.63 6.54 0.00 -0.68 -4.67 105.19 111.74 1kvz n GLY 104 Ca -0.08 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1kvz n GLY 104 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kvz s ILE 105 N 0.00 3.70 0.36 -0.61 1.01 -1.26 -3.91 121.20 120.49 1kvz s ILE 105 Ca 0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 60.65 59.42 1kvz s ILE 105 Cb 0.00 -2.74 -0.08 0.00 0.01 0.00 0.00 42.46 39.65 1kvz s ILE 105 CO 0.00 0.13 0.75 0.00 0.00 0.00 0.00 174.94 175.82