#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 0.42 0.14 2.12 -2.07 -1.26 -4.98 119.66 114.03 1kvz s GLN 2 Ca 0.00 -0.88 0.02 0.00 -1.82 0.00 0.00 55.36 52.68 1kvz s GLN 2 Cb 0.00 -1.10 -0.01 0.00 -1.09 0.00 0.00 33.01 30.81 1kvz s GLN 2 CO 0.00 -1.13 0.15 -0.25 -1.32 0.00 0.00 175.29 172.74 1kvz n ASP 3 N 4.59 -0.38 0.21 12.60 9.92 -1.26 -4.71 116.55 137.52 1kvz n ASP 3 Ca 0.05 -1.88 -0.16 0.00 -0.53 0.00 0.00 54.79 52.27 1kvz n ASP 3 Cb 0.41 0.82 -0.08 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 1.44 -1.13 -0.96 1.24 -0.00 -1.88 -1.97 115.95 112.69 1kvz h TRP 4 Ca -0.10 0.01 0.26 0.00 -0.00 0.00 0.00 58.89 59.06 1kvz h TRP 4 Cb 0.50 0.45 -0.18 0.00 -0.00 0.00 0.00 29.16 29.94 1kvz h TRP 4 CO 0.00 -0.55 0.05 0.00 -0.00 0.00 0.00 178.44 177.95 1kvz h ALA 5 N -0.38 1.17 -0.23 2.65 0.00 -1.97 0.72 119.26 121.21 1kvz h ALA 5 Ca -0.02 0.32 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1kvz h ALA 5 Cb 0.72 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1kvz h ALA 5 CO -0.12 -0.56 -0.14 1.79 0.00 0.00 0.00 179.25 180.22 1kvz h THR 6 N 0.03 1.31 0.00 0.00 1.35 -1.86 -2.73 112.91 111.01 1kvz h THR 6 Ca 0.59 -1.24 -0.04 0.00 -0.55 0.00 0.00 66.41 65.17 1kvz h THR 6 Cb 1.20 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 1kvz h THR 6 CO -0.88 0.38 -0.17 0.15 -0.25 0.00 0.00 175.52 174.76 1kvz h PHE 7 N 0.21 0.00 0.04 4.73 3.57 0.39 0.16 116.94 126.04 1kvz h PHE 7 Ca 0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1kvz h PHE 7 Cb 0.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1kvz h PHE 7 CO 0.07 0.17 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.08 1kvz h LYS 8 N 0.00 -0.05 0.00 1.11 1.63 0.51 0.17 116.57 119.93 1kvz h LYS 8 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1kvz h LYS 8 Cb 0.34 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1kvz h LYS 8 CO 0.02 0.19 -0.04 0.87 -3.45 0.00 0.00 179.45 177.04 1kvz h LYS 9 N -0.28 0.00 0.00 1.90 6.56 -1.25 -1.61 116.57 121.89 1kvz h LYS 9 Ca -0.01 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 1kvz h LYS 9 Cb 0.26 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 1kvz h LYS 9 CO 0.01 0.04 -0.33 0.87 -2.06 0.00 0.00 179.45 177.98 1kvz h LYS 10 N 0.00 0.00 0.00 3.15 1.57 -0.46 -3.42 116.57 117.42 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 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1kvz h LYS 10 CO 0.00 0.63 -0.01 0.72 -0.57 0.00 0.00 179.45 180.22 1kvz n HIS 11 N -4.62 0.00 -4.17 -1.35 8.25 0.56 -4.33 115.22 109.57 1kvz n HIS 11 Ca -0.12 -0.70 -0.16 0.00 -0.26 0.00 0.00 57.72 56.48 1kvz n HIS 11 Cb 0.38 -0.09 -0.13 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.81 2.14 0.07 2.41 1.02 -0.61 -0.66 118.68 121.24 1kvz s LEU 12 Ca 0.15 -0.36 -0.07 0.00 0.02 0.00 0.00 54.13 53.87 1kvz s LEU 12 Cb 0.13 -0.31 -0.01 0.00 0.02 0.00 0.00 46.19 46.02 1kvz s LEU 12 CO 0.01 -0.05 0.14 0.42 0.02 0.00 0.00 176.35 176.89 1kvz s THR 13 N -0.79 0.15 -0.24 5.49 -4.23 -0.87 -4.34 115.64 110.81 1kvz s THR 13 Ca -0.03 -1.23 0.14 0.00 -1.18 0.00 0.00 61.69 59.39 1kvz s THR 13 Cb -0.07 -1.24 0.67 0.00 1.34 0.00 0.00 72.50 73.21 1kvz s THR 13 CO 0.00 -0.68 1.62 -0.67 -0.54 0.00 0.00 174.62 174.36 1kvz n ASP 14 N 0.20 4.55 -3.60 3.99 2.03 -1.26 -4.30 116.55 118.17 1kvz n ASP 14 Ca -0.16 -3.12 -0.12 0.00 0.52 0.00 0.00 54.79 51.92 1kvz n ASP 14 Cb 0.61 -0.65 -0.06 0.00 -0.72 0.00 0.00 41.12 40.30 1kvz n ASP 14 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1kvz s THR 15 N -2.90 0.00 0.29 5.18 -4.23 -1.26 -5.03 115.64 107.69 1kvz s THR 15 Ca 0.49 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.03 1kvz s THR 15 Cb 0.40 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 73.33 1kvz s THR 15 CO 0.11 0.00 1.76 -0.25 -0.54 0.00 0.00 174.62 175.71 1kvz h TRP 16 N 3.57 0.56 -2.96 3.99 7.01 -1.98 -3.37 115.95 122.77 1kvz h TRP 16 Ca -0.25 -0.10 -0.72 0.00 2.11 0.00 0.00 58.89 59.94 1kvz h TRP 16 Cb 1.16 -0.15 -0.21 0.00 -2.10 0.00 0.00 29.16 27.87 1kvz h TRP 16 CO 0.33 0.66 0.06 -0.51 -2.79 0.00 0.00 178.44 176.19 1kvz s ASP 17 N -6.78 6.21 0.45 2.65 1.01 -1.26 -4.67 116.67 114.28 1kvz s ASP 17 Ca -0.07 -1.56 -0.02 0.00 0.71 0.00 0.00 52.55 51.60 1kvz s ASP 17 Cb 0.14 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1kvz s ASP 17 CO 0.79 -1.05 0.71 -0.69 0.21 0.00 0.00 175.17 175.14 1kvz s VAL 18 N 2.38 4.59 -0.62 -1.27 1.01 -1.26 -5.05 120.40 120.19 1kvz s VAL 18 Ca 0.10 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 1kvz s VAL 18 Cb -0.25 -3.72 0.16 0.00 0.00 0.00 0.00 36.38 32.57 1kvz s VAL 18 CO 0.05 -0.60 0.49 -1.81 0.00 0.00 0.00 175.10 173.23 1kvz s ASP 19 N -4.14 5.86 0.09 3.32 1.11 -1.26 -4.95 116.67 116.70 1kvz s ASP 19 Ca 0.46 -2.41 -0.26 0.00 0.18 0.00 0.00 52.55 50.53 1kvz s ASP 19 Cb -0.10 -2.02 -0.15 0.00 1.07 0.00 0.00 42.92 41.71 1kvz s ASP 19 CO 0.41 -0.57 1.70 0.00 1.18 0.00 0.00 175.17 177.90 1kvz n ASP 21 N -5.21 0.22 -0.06 0.00 5.75 -1.26 -0.54 116.55 115.45 1kvz n ASP 21 Ca -0.09 0.60 -0.04 0.00 -0.01 0.00 0.00 54.79 55.25 1kvz n ASP 21 Cb 0.13 -0.63 -0.12 0.00 -1.03 0.00 0.00 41.12 39.48 1kvz n ASP 21 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1kvz n ASN 22 N -1.79 1.31 -0.12 -1.12 2.85 -0.87 -4.53 115.26 110.99 1kvz n ASN 22 Ca -0.00 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.24 1kvz n ASN 22 Cb 0.04 1.06 -0.09 0.00 1.24 0.00 0.00 39.78 42.03 1kvz n ASN 22 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1kvz n LEU 23 N -2.45 1.97 0.14 1.20 7.94 -0.58 -4.38 117.00 120.85 1kvz n LEU 23 Ca -0.20 0.19 -0.14 0.00 -1.11 0.00 0.00 56.01 54.75 1kvz n LEU 23 Cb 0.86 -0.71 -0.08 0.00 0.53 0.00 0.00 43.42 44.03 1kvz n LEU 23 CO 0.32 0.58 0.77 0.24 -1.11 0.00 0.00 177.39 178.19 1kvz h MET 24 N -0.64 -0.28 0.00 1.96 2.86 -1.02 -2.83 114.93 114.98 1kvz h MET 24 Ca -0.57 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 1kvz h MET 24 Cb 1.58 0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.30 1kvz h MET 24 CO -0.29 -0.14 0.00 -0.35 1.06 0.00 0.00 176.91 177.19 1kvz n PRO 25 N -5.19 0.53 -0.28 -0.22 -0.04 -1.25 0.15 135.00 128.71 1kvz n PRO 25 Ca -0.09 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 1kvz n PRO 25 Cb 0.16 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.10 0.00 0.18 0.52 -1.04 -1.07 -4.33 114.28 107.44 1kvz n THR 26 Ca 0.14 -0.12 0.09 0.00 -2.04 0.00 0.00 64.05 62.11 1kvz n THR 26 Cb 0.11 -0.91 0.10 0.00 -1.82 0.00 0.00 70.33 67.81 1kvz n THR 26 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1kvz h SER 27 N -1.76 0.00 -0.16 8.00 0.02 -1.87 0.55 113.55 118.33 1kvz h SER 27 Ca -0.13 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.62 1kvz h SER 27 Cb 0.40 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.95 1kvz h SER 27 CO 0.08 0.18 -0.68 0.25 -1.14 0.00 0.00 176.83 175.52 1kvz h LEU 28 N 0.00 0.88 0.00 5.07 5.85 -1.90 -3.32 115.31 121.89 1kvz h LEU 28 Ca -0.01 -0.62 -0.23 0.00 0.84 0.00 0.00 57.88 57.87 1kvz h LEU 28 Cb 1.14 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1kvz h LEU 28 CO 0.02 1.35 -2.19 0.49 -0.34 0.00 0.00 178.44 177.77 1kvz n PHE 29 N -4.02 0.06 -2.89 1.25 3.72 -1.24 -4.99 117.46 109.36 1kvz n PHE 29 Ca -0.07 0.02 -0.19 0.00 -0.05 0.00 0.00 57.45 57.16 1kvz n PHE 29 Cb 0.69 -0.83 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 1kvz n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1kvz n ASP 30 N -2.58 -4.40 -3.00 4.37 -0.08 0.19 -2.68 116.55 108.37 1kvz n ASP 30 Ca -0.21 -0.12 -0.00 0.00 -1.51 0.00 0.00 54.79 52.94 1kvz n ASP 30 Cb 0.93 -3.65 0.00 0.00 2.34 0.00 0.00 41.12 40.74 1kvz n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kvz n LYS 32 N -1.75 -0.31 0.05 0.00 4.76 -1.09 -4.97 118.16 114.84 1kvz n LYS 32 Ca -0.00 -0.36 -0.03 0.00 -2.87 0.00 0.00 58.31 55.05 1kvz n LYS 32 Cb 0.50 -0.25 -0.01 0.00 -1.84 0.00 0.00 35.03 33.43 1kvz n LYS 32 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1kvz h ASP 33 N -0.38 -0.15 -4.85 4.39 3.58 -1.94 -3.46 116.42 113.61 1kvz h ASP 33 Ca -0.08 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1kvz h ASP 33 Cb 0.21 0.04 -0.18 0.00 1.72 0.00 0.00 39.33 41.12 1kvz h ASP 33 CO 0.05 0.12 0.27 -1.59 -2.88 0.00 0.00 179.24 175.21 1kvz s LYS 34 N -2.07 1.02 -0.01 0.28 -2.85 -1.26 -2.17 119.74 112.68 1kvz s LYS 34 Ca -0.03 0.04 -0.03 0.00 -1.00 0.00 0.00 55.97 54.95 1kvz s LYS 34 Cb 0.00 0.48 -0.00 0.00 -2.06 0.00 0.00 37.83 36.25 1kvz s LYS 34 CO 0.08 -0.36 0.07 1.21 0.10 0.00 0.00 175.35 176.44 1kvz s ASN 35 N -1.62 0.02 -0.25 0.03 3.84 -0.97 -4.97 114.94 111.02 1kvz s ASN 35 Ca -0.06 -0.09 -0.05 0.00 0.21 0.00 0.00 52.86 52.87 1kvz s ASN 35 Cb -0.00 0.16 -0.01 0.00 -0.55 0.00 0.00 41.25 40.85 1kvz s ASN 35 CO 0.02 -0.18 0.02 -0.89 -2.79 0.00 0.00 177.10 173.28 1kvz s THR 36 N -0.67 3.75 0.37 -5.21 2.01 -1.26 -0.36 115.64 114.27 1kvz s THR 36 Ca -0.07 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1kvz s THR 36 Cb -0.05 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 1kvz s THR 36 CO 0.00 0.30 0.54 -0.36 -0.69 0.00 0.00 174.62 174.41 1kvz s PHE 37 N 1.51 3.21 -0.01 4.92 0.08 0.58 -4.39 117.98 123.88 1kvz s PHE 37 Ca 0.05 0.01 0.08 0.00 0.12 0.00 0.00 56.93 57.18 1kvz s PHE 37 Cb -0.15 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 1kvz s PHE 37 CO -0.00 -0.09 -0.25 0.42 -0.10 0.00 0.00 175.22 175.20 1kvz s ILE 38 N -2.31 2.15 -0.95 0.64 -1.09 0.16 -1.68 121.20 118.12 1kvz s ILE 38 Ca 0.45 -1.12 -0.14 0.00 -2.23 0.00 0.00 60.65 57.61 1kvz s ILE 38 Cb -0.10 -1.77 0.21 0.00 -1.58 0.00 0.00 42.46 39.23 1kvz s ILE 38 CO 0.34 0.54 0.99 -0.47 -1.23 0.00 0.00 174.94 175.11 1kvz s TYR 39 N -0.65 3.73 0.20 3.97 5.04 -0.21 -2.04 117.35 127.39 1kvz s TYR 39 Ca 0.10 -2.06 -0.11 0.00 -2.44 0.00 0.00 57.07 52.57 1kvz s TYR 39 Cb -0.10 -3.96 -0.00 0.00 0.35 0.00 0.00 41.96 38.24 1kvz s TYR 39 CO -0.00 -1.12 0.38 0.45 -1.34 0.00 0.00 175.55 173.92 1kvz s SER 40 N 2.31 -0.05 0.28 4.32 0.15 -1.26 -4.42 113.70 115.03 1kvz s SER 40 Ca 0.26 -0.85 -0.05 0.00 0.70 0.00 0.00 55.95 56.02 1kvz s SER 40 Cb -0.08 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.68 1kvz s SER 40 CO -0.08 -1.00 0.53 -0.76 1.20 0.00 0.00 173.24 173.14 1kvz s LEU 41 N -2.98 4.08 0.15 3.45 1.43 -1.26 -4.74 118.68 118.82 1kvz s LEU 41 Ca 0.19 0.68 0.24 0.00 -1.03 0.00 0.00 54.13 54.21 1kvz s LEU 41 Cb 0.01 -3.49 0.92 0.00 0.03 0.00 0.00 46.19 43.66 1kvz s LEU 41 CO 0.03 -0.18 1.74 -0.81 0.23 0.00 0.00 176.35 177.37 1kvz n PRO 42 N -0.88 0.15 0.10 1.29 -0.04 -1.26 -2.36 135.00 132.00 1kvz n PRO 42 Ca -0.02 0.24 -0.07 0.00 -0.04 0.00 0.00 63.50 63.61 1kvz n PRO 42 Cb 0.54 -1.72 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 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 3.66 -0.36 2.00 0.55 0.00 -1.98 -1.84 103.07 105.10 1kvz h GLY 43 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 1kvz h GLY 43 CO 0.00 -0.13 -0.32 -0.56 0.00 0.00 0.00 176.54 175.53 1kvz h PRO 44 N -1.05 0.00 0.01 4.80 0.13 -1.99 -1.88 132.00 132.01 1kvz h PRO 44 Ca -0.04 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1kvz h PRO 44 Cb 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1kvz h PRO 44 CO 0.06 0.32 -0.15 0.28 -0.23 0.00 0.00 178.00 178.27 1kvz h VAL 45 N 0.00 1.63 0.00 1.56 2.07 -1.59 -3.18 116.25 116.74 1kvz h VAL 45 Ca -0.00 -2.05 -0.03 0.00 0.82 0.00 0.00 66.70 65.44 1kvz h VAL 45 Cb 0.96 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1kvz h VAL 45 CO 0.04 0.55 -0.15 0.50 0.02 0.00 0.00 177.57 178.53 1kvz h LYS 46 N -0.70 0.00 -0.48 1.57 3.64 -1.36 -2.04 116.57 117.20 1kvz h LYS 46 Ca -0.02 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1kvz h LYS 46 Cb 0.98 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1kvz h LYS 46 CO 0.03 0.15 0.33 0.00 -2.27 0.00 0.00 179.45 177.68 1kvz h ALA 47 N 1.85 2.03 -0.29 5.00 0.00 -1.31 0.05 119.26 126.59 1kvz h ALA 47 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1kvz h ALA 47 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1kvz h ALA 47 CO 0.02 -0.13 -0.09 -0.07 0.00 0.00 0.00 179.25 178.98 1kvz h LEU 48 N 0.33 0.45 0.00 0.00 3.38 -1.43 -2.31 115.31 115.73 1kvz h LEU 48 Ca 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1kvz h LEU 48 Cb 0.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1kvz h LEU 48 CO -0.05 0.59 -0.08 0.00 0.09 0.00 0.00 178.44 178.99 1kvz n ARG 50 N -2.44 0.79 0.00 0.00 1.74 -0.87 -0.37 116.66 115.52 1kvz n ARG 50 Ca 0.05 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 1kvz n ARG 50 Cb 0.46 -3.32 0.00 0.00 -1.02 0.00 0.00 32.46 28.57 1kvz n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kvz n GLY 51 N 6.27 1.38 3.72 -0.13 0.00 -1.26 -5.06 105.19 110.11 1kvz n GLY 51 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.81 4.17 -0.07 1.61 1.01 0.51 -4.91 120.40 121.91 1kvz s VAL 52 Ca 0.00 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1kvz s VAL 52 Cb 0.00 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1kvz s VAL 52 CO 0.00 0.14 -0.06 -0.38 0.00 0.00 0.00 175.10 174.80 1kvz n ILE 53 N 3.76 0.37 -3.91 2.22 2.08 -1.26 -0.88 119.36 121.74 1kvz n ILE 53 Ca 0.08 -0.14 -0.26 0.00 0.56 0.00 0.00 62.75 62.98 1kvz n ILE 53 Cb 0.47 -0.73 -0.01 0.00 -0.75 0.00 0.00 39.64 38.62 1kvz n ILE 53 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1kvz s PHE 54 N -2.13 1.65 -0.20 1.39 0.08 -1.26 -1.09 117.98 116.41 1kvz s PHE 54 Ca -0.09 -0.84 -0.29 0.00 0.12 0.00 0.00 56.93 55.83 1kvz s PHE 54 Cb 0.02 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1kvz s PHE 54 CO 0.15 -0.45 1.71 -1.54 -0.10 0.00 0.00 175.22 174.99 1kvz s SER 55 N -4.27 6.28 0.08 1.36 1.04 -1.23 -3.65 113.70 113.31 1kvz s SER 55 Ca 0.33 1.73 0.01 0.00 0.48 0.00 0.00 55.95 58.51 1kvz s SER 55 Cb -0.02 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1kvz s SER 55 CO 0.21 -1.32 -0.06 0.00 0.98 0.00 0.00 173.24 173.04 1kvz s ALA 56 N 5.49 0.84 -0.22 5.32 0.00 0.68 -4.90 121.76 128.97 1kvz s ALA 56 Ca 0.76 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1kvz s ALA 56 Cb -0.27 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1kvz s ALA 56 CO 0.31 -0.21 0.21 -0.51 0.00 0.00 0.00 175.76 175.56 1kvz s ASP 57 N -2.74 6.22 0.22 0.00 1.11 -1.26 0.11 116.67 120.33 1kvz s ASP 57 Ca 0.07 0.24 0.10 0.00 0.18 0.00 0.00 52.55 53.14 1kvz s ASP 57 Cb 0.03 -2.13 -0.04 0.00 1.07 0.00 0.00 42.92 41.84 1kvz s ASP 57 CO -0.04 0.06 -0.14 -0.69 1.18 0.00 0.00 175.17 175.53 1kvz s VAL 58 N 0.94 2.86 -0.02 -1.27 1.01 0.91 -4.95 120.40 119.88 1kvz s VAL 58 Ca 0.11 -1.96 0.01 0.00 0.00 0.00 0.00 61.98 60.14 1kvz s VAL 58 Cb -0.13 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1kvz s VAL 58 CO 0.04 -0.21 -0.02 -0.22 0.00 0.00 0.00 175.10 174.69 1kvz s LEU 59 N -3.06 1.62 0.57 3.92 0.20 -1.26 -0.92 118.68 119.74 1kvz s LEU 59 Ca 0.26 -0.05 -0.21 0.00 0.69 0.00 0.00 54.13 54.82 1kvz s LEU 59 Cb -0.07 -0.20 -0.04 0.00 -0.43 0.00 0.00 46.19 45.44 1kvz s LEU 59 CO 0.14 -0.02 1.31 -0.94 -0.29 0.00 0.00 176.35 176.55 1kvz s SER 60 N 0.43 5.20 0.01 3.68 1.04 -0.82 -4.94 113.70 118.30 1kvz s SER 60 Ca -0.04 2.65 0.09 0.00 0.48 0.00 0.00 55.95 59.12 1kvz s SER 60 Cb -0.07 -2.62 -0.23 0.00 0.10 0.00 0.00 66.02 63.19 1kvz s SER 60 CO -0.01 -1.61 0.88 -1.13 0.98 0.00 0.00 173.24 172.35 1kvz h ASN 61 N 1.25 0.05 -3.40 7.02 -0.73 -2.00 -3.43 115.58 114.33 1kvz h ASN 61 Ca -0.51 -0.08 -0.65 0.00 1.87 0.00 0.00 56.30 56.93 1kvz h ASN 61 Cb 1.30 -0.02 -0.19 0.00 0.27 0.00 0.00 38.32 39.68 1kvz h ASN 61 CO 0.56 1.07 -0.83 -0.94 -0.37 0.00 0.00 177.43 176.92 1kvz s SER 62 N -6.41 3.34 0.15 1.15 1.04 -1.26 -5.09 113.70 106.62 1kvz s SER 62 Ca -0.04 -0.84 -0.30 0.00 0.48 0.00 0.00 55.95 55.26 1kvz s SER 62 Cb 0.08 -0.24 -0.07 0.00 0.10 0.00 0.00 66.02 65.90 1kvz s SER 62 CO 0.82 0.12 0.96 -1.61 0.98 0.00 0.00 173.24 174.52 1kvz s GLU 63 N -2.52 4.74 0.47 4.02 2.02 -1.26 -4.67 118.70 121.50 1kvz s GLU 63 Ca 0.19 1.48 0.06 0.00 0.02 0.00 0.00 54.97 56.71 1kvz s GLU 63 Cb -0.08 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1kvz s GLU 63 CO 0.09 0.29 0.24 -0.06 0.02 0.00 0.00 175.26 175.84 1kvz s PHE 64 N -0.35 2.20 0.38 1.61 0.08 -1.00 -4.79 117.98 116.11 1kvz s PHE 64 Ca 0.45 -0.71 -0.24 0.00 0.12 0.00 0.00 56.93 56.55 1kvz s PHE 64 Cb -0.24 -1.91 -0.10 0.00 -0.57 0.00 0.00 43.02 40.20 1kvz s PHE 64 CO 0.31 -0.04 1.00 0.71 -0.10 0.00 0.00 175.22 177.10 1kvz s TYR 65 N -2.69 3.42 -0.24 0.36 1.51 -1.26 -2.54 117.35 115.91 1kvz s TYR 65 Ca 0.34 1.69 0.02 0.00 -1.01 0.00 0.00 57.07 58.11 1kvz s TYR 65 Cb 0.01 -3.01 0.05 0.00 -0.11 0.00 0.00 41.96 38.90 1kvz s TYR 65 CO 0.20 -0.26 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.76 1kvz s LEU 66 N -2.53 2.94 -0.46 -1.29 1.43 0.98 -1.04 118.68 118.71 1kvz s LEU 66 Ca 0.56 -1.20 -0.16 0.00 -1.03 0.00 0.00 54.13 52.30 1kvz s LEU 66 Cb -0.19 -1.40 0.06 0.00 0.03 0.00 0.00 46.19 44.69 1kvz s LEU 66 CO 0.24 -0.18 0.40 0.00 0.23 0.00 0.00 176.35 177.04 1kvz s ALA 67 N 1.24 3.52 0.28 4.21 0.00 -0.68 -1.43 121.76 128.89 1kvz s ALA 67 Ca -0.06 -1.97 0.07 0.00 0.00 0.00 0.00 51.96 50.01 1kvz s ALA 67 Cb -0.19 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1kvz s ALA 67 CO -0.06 -1.69 0.22 -1.83 0.00 0.00 0.00 175.76 172.40 1kvz s GLU 68 N 1.76 2.84 -0.35 0.00 -1.05 -0.40 -0.31 118.70 121.18 1kvz s GLU 68 Ca 0.06 -1.15 0.02 0.00 -0.15 0.00 0.00 54.97 53.75 1kvz s GLU 68 Cb -0.22 -2.52 0.11 0.00 -0.44 0.00 0.00 34.13 31.05 1kvz s GLU 68 CO 0.08 0.30 0.10 0.00 0.95 0.00 0.00 175.26 176.69 1kvz s ASN 70 N 0.97 6.30 -0.48 0.00 0.02 -1.06 -2.30 114.94 118.38 1kvz s ASN 70 Ca 0.12 0.34 -0.23 0.00 -1.02 0.00 0.00 52.86 52.06 1kvz s ASN 70 Cb -0.20 -2.12 0.03 0.00 0.02 0.00 0.00 41.25 38.98 1kvz s ASN 70 CO -0.12 0.15 0.83 -0.69 0.02 0.00 0.00 177.10 177.29 1kvz s VAL 71 N 0.38 4.58 0.52 1.60 1.01 -0.92 -1.61 120.40 125.96 1kvz s VAL 71 Ca 0.11 0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 1kvz s VAL 71 Cb -0.12 -4.39 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 1kvz s VAL 71 CO 0.00 -0.84 0.77 0.29 0.00 0.00 0.00 175.10 175.32 1kvz n LYS 72 N 6.91 0.83 -2.67 2.72 4.76 -0.68 -4.94 118.16 125.10 1kvz n LYS 72 Ca 0.02 0.31 -0.34 0.00 -2.87 0.00 0.00 58.31 55.43 1kvz n LYS 72 Cb 0.48 -1.88 -0.05 0.00 -1.84 0.00 0.00 35.03 31.74 1kvz n LYS 72 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1kvz s PRO 73 N -2.17 4.03 -1.47 1.97 0.04 -1.26 -3.56 135.00 132.58 1kvz s PRO 73 Ca 0.68 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1kvz s PRO 73 Cb -0.49 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1kvz s PRO 73 CO 0.54 -0.22 0.00 0.54 0.04 0.00 0.00 177.00 177.90 1kvz n ARG 74 N -0.72 -1.34 -4.11 4.56 5.12 -1.26 -5.00 116.66 113.90 1kvz n ARG 74 Ca 0.08 0.84 -0.17 0.00 -1.93 0.00 0.00 57.85 56.67 1kvz n ARG 74 Cb 0.53 -5.27 -0.15 0.00 -1.16 0.00 0.00 32.46 26.41 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 -4.76 0.46 -0.68 5.56 1.02 -1.23 -5.10 119.74 115.01 1kvz s LYS 75 Ca 0.00 -0.12 -0.27 0.00 0.02 0.00 0.00 55.97 55.60 1kvz s LYS 75 Cb 0.00 -0.49 0.02 0.00 -0.52 0.00 0.00 37.83 36.84 1kvz s LYS 75 CO 0.00 0.03 1.42 -1.25 -0.92 0.00 0.00 175.35 174.63 1kvz s PRO 76 N 0.28 3.10 -1.59 -1.68 0.04 -1.26 -4.12 135.00 129.77 1kvz s PRO 76 Ca -0.03 0.08 -0.13 0.00 0.04 0.00 0.00 61.00 60.96 1kvz s PRO 76 Cb -0.06 -4.21 0.10 0.00 0.04 0.00 0.00 34.50 30.37 1kvz s PRO 76 CO -0.00 -2.22 0.79 0.00 0.04 0.00 0.00 177.00 175.61 1kvz s LYS 78 N -6.73 3.81 0.27 0.00 1.02 -1.26 -4.98 119.74 111.87 1kvz s LYS 78 Ca 0.57 -0.26 0.07 0.00 0.02 0.00 0.00 55.97 56.37 1kvz s LYS 78 Cb -0.30 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.26 1kvz s LYS 78 CO 0.88 -0.35 0.23 0.71 -0.92 0.00 0.00 175.35 175.91 1kvz s TYR 79 N 1.94 3.09 -0.05 3.18 1.51 -1.26 -1.68 117.35 124.08 1kvz s TYR 79 Ca 0.11 -0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1kvz s TYR 79 Cb -0.16 -1.51 0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1kvz s TYR 79 CO 0.11 0.44 0.10 0.21 -1.11 0.00 0.00 175.55 175.30 1kvz s LYS 80 N -3.89 0.04 -0.09 -0.62 2.47 -0.63 -4.91 119.74 112.10 1kvz s LYS 80 Ca 0.35 0.31 -0.30 0.00 -1.56 0.00 0.00 55.97 54.77 1kvz s LYS 80 Cb -0.08 -0.21 -0.01 0.00 -1.46 0.00 0.00 37.83 36.07 1kvz s LYS 80 CO 0.26 -0.17 1.01 -1.17 0.16 0.00 0.00 175.35 175.44 1kvz s LEU 81 N 1.17 4.26 0.05 5.43 1.98 -1.26 -2.58 118.68 127.72 1kvz s LEU 81 Ca -0.09 1.56 0.07 0.00 -2.89 0.00 0.00 54.13 52.78 1kvz s LEU 81 Cb -0.12 -3.56 -0.02 0.00 0.66 0.00 0.00 46.19 43.15 1kvz s LEU 81 CO -0.05 -0.44 -0.19 -0.54 -1.89 0.00 0.00 176.35 173.24 1kvz s LYS 82 N 1.93 1.26 0.17 1.98 1.02 -1.02 -4.99 119.74 120.10 1kvz s LYS 82 Ca 0.49 -0.91 0.09 0.00 0.02 0.00 0.00 55.97 55.66 1kvz s LYS 82 Cb -0.19 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 1kvz s LYS 82 CO 0.19 0.34 -0.11 -1.59 -0.92 0.00 0.00 175.35 173.26 1kvz s LYS 83 N -1.20 2.00 0.38 1.68 0.00 -1.26 -1.27 119.74 120.07 1kvz s LYS 83 Ca 0.06 -1.27 -0.13 0.00 0.00 0.00 0.00 55.97 54.63 1kvz s LYS 83 Cb -0.09 -2.14 0.05 0.00 0.00 0.00 0.00 37.83 35.65 1kvz s LYS 83 CO 0.02 0.44 0.74 -1.12 0.00 0.00 0.00 175.35 175.42 1kvz s SER 84 N -2.73 0.16 -0.10 0.03 0.01 -0.52 -4.92 113.70 105.63 1kvz s SER 84 Ca 0.24 -1.20 -0.04 0.00 1.31 0.00 0.00 55.95 56.26 1kvz s SER 84 Cb -0.09 0.82 0.05 0.00 0.21 0.00 0.00 66.02 67.02 1kvz s SER 84 CO 0.14 -1.62 0.19 -0.94 0.41 0.00 0.00 173.24 171.42 1kvz s SER 85 N -3.10 0.65 0.05 2.44 1.04 -1.26 -0.02 113.70 113.51 1kvz s SER 85 Ca 0.18 0.40 -0.28 0.00 0.48 0.00 0.00 55.95 56.72 1kvz s SER 85 Cb -0.04 0.41 0.10 0.00 0.10 0.00 0.00 66.02 66.59 1kvz s SER 85 CO 0.13 -0.25 1.16 0.21 0.98 0.00 0.00 173.24 175.47 1kvz s ASN 86 N 2.33 -0.10 0.98 7.02 2.47 -1.05 -4.92 114.94 121.67 1kvz s ASN 86 Ca 0.03 -0.25 -0.16 0.00 0.42 0.00 0.00 52.86 52.90 1kvz s ASN 86 Cb -0.12 0.29 0.22 0.00 -1.45 0.00 0.00 41.25 40.19 1kvz s ASN 86 CO -0.07 -0.54 1.33 0.54 -3.72 0.00 0.00 177.10 174.64 1kvz n ARG 87 N -0.49 -1.23 -3.81 0.43 1.74 -1.26 -2.38 116.66 109.67 1kvz n ARG 87 Ca -0.08 -2.16 -0.14 0.00 -0.77 0.00 0.00 57.85 54.71 1kvz n ARG 87 Cb 0.62 -1.34 -0.15 0.00 -1.02 0.00 0.00 32.46 30.57 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 -3.90 -0.04 -0.29 0.55 -4.36 -1.26 -2.43 121.20 109.47 1kvz s ILE 88 Ca 0.76 0.14 -0.09 0.00 -0.26 0.00 0.00 60.65 61.20 1kvz s ILE 88 Cb -0.02 -0.06 -0.01 0.00 1.25 0.00 0.00 42.46 43.62 1kvz s ILE 88 CO 0.53 0.06 0.12 0.00 0.24 0.00 0.00 174.94 175.89 1kvz s ILE 90 N 1.60 1.92 -0.25 0.00 -4.36 -0.10 -0.09 121.20 119.92 1kvz s ILE 90 Ca 0.05 -2.15 -0.09 0.00 -0.26 0.00 0.00 60.65 58.20 1kvz s ILE 90 Cb -0.16 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 1kvz s ILE 90 CO 0.05 -0.45 0.11 -0.60 0.24 0.00 0.00 174.94 174.29 1kvz s ARG 91 N -3.32 3.81 0.05 0.37 3.52 -0.92 -0.06 118.95 122.39 1kvz s ARG 91 Ca 0.22 -0.40 0.08 0.00 -0.13 0.00 0.00 55.73 55.49 1kvz s ARG 91 Cb -0.03 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1kvz s ARG 91 CO 0.08 -0.12 -0.20 0.00 -0.81 0.00 0.00 175.30 174.25 1kvz s GLU 93 N -1.45 0.88 -2.01 0.00 -1.05 -0.78 -0.23 118.70 114.06 1kvz s GLU 93 Ca 0.14 0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.41 1kvz s GLU 93 Cb -0.10 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 1kvz s GLU 93 CO 0.05 -0.21 0.00 0.72 0.95 0.00 0.00 175.26 176.77 1kvz n HIS 94 N 1.69 -0.31 -2.67 4.83 8.25 -0.25 -1.76 115.22 125.00 1kvz n HIS 94 Ca -0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.17 1kvz n HIS 94 Cb 0.56 -3.54 0.02 0.00 1.12 0.00 0.00 29.99 28.15 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 -2.58 -2.61 -3.65 -0.41 2.13 -0.06 -4.97 120.64 108.48 1kvz n GLU 95 Ca -0.21 0.46 -0.09 0.00 0.66 0.00 0.00 57.16 57.97 1kvz n GLU 95 Cb 0.67 -4.38 -0.08 0.00 0.27 0.00 0.00 31.44 27.92 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 -3.67 -0.69 -0.30 4.31 0.05 -0.72 -4.76 118.68 112.91 1kvz s LEU 96 Ca 0.16 1.36 -0.29 0.00 0.05 0.00 0.00 54.13 55.41 1kvz s LEU 96 Cb -0.07 2.17 0.01 0.00 -2.05 0.00 0.00 46.19 46.24 1kvz s LEU 96 CO 0.20 -0.23 1.19 -2.16 -0.55 0.00 0.00 176.35 174.81 1kvz s PRO 97 N 1.30 4.01 0.04 1.48 0.04 -1.26 -1.87 135.00 138.74 1kvz s PRO 97 Ca -0.08 1.20 0.22 0.00 0.04 0.00 0.00 61.00 62.38 1kvz s PRO 97 Cb -0.05 -3.80 -0.23 0.00 0.04 0.00 0.00 34.50 30.45 1kvz s PRO 97 CO -0.14 -0.99 0.64 1.33 0.04 0.00 0.00 177.00 177.89 1kvz n VAL 98 N 5.98 0.30 -4.08 -0.36 0.24 -0.92 -3.80 118.33 115.70 1kvz n VAL 98 Ca 0.13 -0.54 -0.14 0.00 -2.04 0.00 0.00 64.34 61.75 1kvz n VAL 98 Cb 0.47 -0.15 -0.04 0.00 -1.47 0.00 0.00 33.84 32.64 1kvz n VAL 98 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1kvz n HIS 99 N -2.43 -1.11 -4.41 6.34 8.25 -1.24 -4.09 115.22 116.53 1kvz n HIS 99 Ca -0.04 -2.17 -0.28 0.00 -0.26 0.00 0.00 57.72 54.97 1kvz n HIS 99 Cb 0.60 0.41 -0.17 0.00 1.12 0.00 0.00 29.99 31.95 1kvz n HIS 99 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1kvz s PHE 100 N -3.18 1.85 0.03 4.41 -0.71 -1.26 -2.16 117.98 116.95 1kvz s PHE 100 Ca 0.28 -0.85 -0.21 0.00 -1.04 0.00 0.00 56.93 55.11 1kvz s PHE 100 Cb -0.00 -1.35 -0.16 0.00 -1.21 0.00 0.00 43.02 40.30 1kvz s PHE 100 CO 0.20 -0.45 1.32 0.00 -1.34 0.00 0.00 175.22 174.94 1kvz h ALA 101 N 7.44 0.18 0.00 1.99 0.00 -0.77 -3.46 119.26 124.64 1kvz h ALA 101 Ca -0.31 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1kvz h ALA 101 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1kvz h ALA 101 CO 0.48 0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1kvz n GLY 102 N 0.26 -0.80 3.11 0.00 0.00 -1.00 -5.02 105.19 101.74 1kvz n GLY 102 Ca -0.07 -0.73 -0.24 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 -3.00 1.23 0.00 1.61 0.11 -1.26 -1.44 120.40 117.65 1kvz s VAL 103 Ca 0.00 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1kvz s VAL 103 Cb 0.00 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1kvz s VAL 103 CO 0.00 0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.74 1kvz n GLY 104 N 3.01 1.15 3.31 6.54 0.00 -1.02 -4.92 105.19 113.26 1kvz n GLY 104 Ca -0.17 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 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 1.32 -0.25 -0.61 -4.36 -1.26 -4.40 121.20 111.64 1kvz s ILE 105 Ca 0.00 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 1kvz s ILE 105 Cb 0.00 -2.06 0.06 0.00 1.25 0.00 0.00 42.46 41.72 1kvz s ILE 105 CO 0.00 -0.58 -0.05 0.00 0.24 0.00 0.00 174.94 174.55