#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 3.51 0.00 2.12 -0.21 -1.26 -4.91 119.66 118.91 1kvz s GLN 2 Ca 0.00 2.16 0.00 0.00 0.02 0.00 0.00 55.36 57.54 1kvz s GLN 2 Cb 0.00 -4.27 0.00 0.00 1.00 0.00 0.00 33.01 29.74 1kvz s GLN 2 CO 0.00 -1.67 0.00 -3.47 -2.12 0.00 0.00 175.29 168.03 1kvz n ASP 3 N 10.05 0.51 -0.02 5.90 -0.08 -1.26 -4.82 116.55 126.84 1kvz n ASP 3 Ca 0.25 -0.42 0.23 0.00 -1.51 0.00 0.00 54.79 53.34 1kvz n ASP 3 Cb 0.44 0.00 0.72 0.00 2.34 0.00 0.00 41.12 44.62 1kvz n ASP 3 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 1kvz h TRP 4 N 0.42 0.00 -0.22 -0.67 2.91 -1.89 -0.62 115.95 115.88 1kvz h TRP 4 Ca 0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1kvz h TRP 4 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1kvz h TRP 4 CO 0.00 0.00 0.07 0.00 -1.03 0.00 0.00 178.44 177.48 1kvz h ALA 5 N 1.60 0.29 -0.17 2.65 0.00 -1.94 0.29 119.26 121.98 1kvz h ALA 5 Ca 0.28 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1kvz h ALA 5 Cb 1.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1kvz h ALA 5 CO -0.00 -0.08 -0.06 1.79 0.00 0.00 0.00 179.25 180.91 1kvz h THR 6 N 0.19 1.30 0.00 0.00 1.35 -1.49 -2.52 112.91 111.73 1kvz h THR 6 Ca 0.07 -1.05 -0.01 0.00 -0.55 0.00 0.00 66.41 64.87 1kvz h THR 6 Cb 0.24 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1kvz h THR 6 CO -0.00 0.31 -0.05 0.15 -0.25 0.00 0.00 175.52 175.69 1kvz h PHE 7 N 0.04 0.00 0.11 4.73 3.57 -1.27 0.22 116.94 124.35 1kvz h PHE 7 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1kvz h PHE 7 Cb 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1kvz h PHE 7 CO 0.06 0.05 -0.05 -0.22 -2.23 0.00 0.00 178.31 175.91 1kvz h LYS 8 N 0.00 -0.14 0.00 1.11 3.64 0.02 0.25 116.57 121.45 1kvz h LYS 8 Ca -0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1kvz h LYS 8 Cb 0.10 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1kvz h LYS 8 CO 0.01 0.07 -0.06 0.87 -2.27 0.00 0.00 179.45 178.07 1kvz h LYS 9 N -0.34 0.00 0.00 1.90 1.57 -1.28 -1.68 116.57 116.74 1kvz h LYS 9 Ca -0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1kvz h LYS 9 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1kvz h LYS 9 CO 0.02 0.02 -0.40 0.87 -0.57 0.00 0.00 179.45 179.39 1kvz h LYS 10 N 0.00 0.00 0.00 3.15 1.57 -0.40 -3.42 116.57 117.47 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 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1kvz h LYS 10 CO 0.00 0.91 -0.59 0.72 -0.57 0.00 0.00 179.45 179.92 1kvz n HIS 11 N -4.57 0.00 -4.33 -1.35 8.25 0.85 -4.30 115.22 109.77 1kvz n HIS 11 Ca -0.16 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.96 1kvz n HIS 11 Cb 0.50 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.46 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 -2.63 3.37 -0.08 2.41 1.43 -0.63 -0.54 118.68 122.00 1kvz s LEU 12 Ca 0.01 -0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1kvz s LEU 12 Cb 0.05 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1kvz s LEU 12 CO 0.29 0.18 0.37 0.42 0.23 0.00 0.00 176.35 177.85 1kvz s THR 13 N 0.27 0.02 -0.25 5.49 -4.23 -0.86 -4.34 115.64 111.75 1kvz s THR 13 Ca -0.02 -0.20 0.12 0.00 -1.18 0.00 0.00 61.69 60.42 1kvz s THR 13 Cb -0.14 -0.60 0.57 0.00 1.34 0.00 0.00 72.50 73.68 1kvz s THR 13 CO 0.02 -0.11 1.53 0.47 -0.54 0.00 0.00 174.62 176.00 1kvz n ASP 14 N 2.09 3.66 -3.69 3.99 8.00 -1.26 -3.66 116.55 125.67 1kvz n ASP 14 Ca -0.17 -3.31 -0.16 0.00 0.71 0.00 0.00 54.79 51.86 1kvz n ASP 14 Cb 0.57 -0.63 -0.16 0.00 -0.02 0.00 0.00 41.12 40.89 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 -3.01 -0.18 0.37 -3.53 -4.23 -1.26 -5.02 115.64 98.78 1kvz s THR 15 Ca 0.46 0.31 0.07 0.00 -1.18 0.00 0.00 61.69 61.36 1kvz s THR 15 Cb 0.39 -0.26 0.17 0.00 1.34 0.00 0.00 72.50 74.14 1kvz s THR 15 CO 0.07 0.13 1.91 -0.25 -0.54 0.00 0.00 174.62 175.94 1kvz h TRP 16 N 8.03 0.38 -3.13 3.99 7.01 -1.98 -3.36 115.95 126.90 1kvz h TRP 16 Ca -0.22 -0.04 -0.75 0.00 2.11 0.00 0.00 58.89 59.99 1kvz h TRP 16 Cb 1.12 -0.11 -0.24 0.00 -2.10 0.00 0.00 29.16 27.84 1kvz h TRP 16 CO 0.44 0.43 -0.23 -0.51 -2.79 0.00 0.00 178.44 175.77 1kvz s ASP 17 N -6.81 6.18 0.36 2.65 1.11 -1.26 -4.67 116.67 114.23 1kvz s ASP 17 Ca -0.06 -1.68 0.02 0.00 0.18 0.00 0.00 52.55 51.00 1kvz s ASP 17 Cb 0.16 -2.21 -0.02 0.00 1.07 0.00 0.00 42.92 41.91 1kvz s ASP 17 CO 0.74 -0.83 0.55 -0.69 1.18 0.00 0.00 175.17 176.13 1kvz s VAL 18 N 1.65 4.74 -0.47 -1.27 1.01 -1.26 -5.07 120.40 119.73 1kvz s VAL 18 Ca 0.04 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1kvz s VAL 18 Cb -0.29 -3.72 0.11 0.00 0.00 0.00 0.00 36.38 32.49 1kvz s VAL 18 CO 0.04 -0.43 0.36 -1.81 0.00 0.00 0.00 175.10 173.25 1kvz s ASP 19 N -4.09 5.78 -0.00 3.32 1.01 -1.26 -4.95 116.67 116.48 1kvz s ASP 19 Ca 0.42 -1.82 -0.25 0.00 0.71 0.00 0.00 52.55 51.61 1kvz s ASP 19 Cb -0.10 -2.04 -0.18 0.00 1.01 0.00 0.00 42.92 41.61 1kvz s ASP 19 CO 0.35 -0.70 1.29 0.00 0.21 0.00 0.00 175.17 176.33 1kvz h ASP 21 N -0.53 0.00 -0.06 0.00 2.03 -1.92 0.20 116.42 116.14 1kvz h ASP 21 Ca -0.01 -0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.15 1kvz h ASP 21 Cb 0.43 -0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.94 1kvz h ASP 21 CO 0.02 0.08 -0.50 -1.13 -1.03 0.00 0.00 179.24 176.68 1kvz h ASN 22 N 0.00 0.55 -0.14 4.15 -1.24 -1.97 -3.17 115.58 113.77 1kvz h ASN 22 Ca -0.00 -0.68 0.00 0.00 0.71 0.00 0.00 56.30 56.33 1kvz h ASN 22 Cb 0.14 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1kvz h ASN 22 CO 0.01 1.15 0.00 0.18 -1.29 0.00 0.00 177.43 177.48 1kvz n LEU 23 N -4.26 1.49 -0.05 0.34 7.99 -1.00 -4.28 117.00 117.23 1kvz n LEU 23 Ca -0.09 -0.61 -0.12 0.00 -0.01 0.00 0.00 56.01 55.18 1kvz n LEU 23 Cb 0.61 -0.08 -0.07 0.00 -0.11 0.00 0.00 43.42 43.76 1kvz n LEU 23 CO 0.46 0.30 0.69 -0.03 -1.51 0.00 0.00 177.39 177.30 1kvz h MET 24 N 2.01 0.28 -0.00 3.23 4.05 -0.57 -3.23 114.93 120.71 1kvz h MET 24 Ca 0.00 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1kvz h MET 24 Cb 0.44 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1kvz h MET 24 CO 0.00 0.58 -0.03 -0.35 0.23 0.00 0.00 176.91 177.34 1kvz n PRO 25 N -4.69 0.50 -0.42 0.39 -0.04 -1.26 0.58 135.00 130.06 1kvz n PRO 25 Ca -0.06 -0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 1kvz n PRO 25 Cb 0.27 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.53 1.27 -0.28 0.52 2.01 -1.22 -4.58 115.64 110.83 1kvz s THR 26 Ca 0.29 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.50 1kvz s THR 26 Cb 0.20 -2.09 0.10 0.00 0.01 0.00 0.00 72.50 70.72 1kvz s THR 26 CO 0.46 0.00 1.25 0.28 -0.69 0.00 0.00 174.62 175.92 1kvz h SER 27 N -3.35 0.00 0.10 3.53 0.02 -1.90 0.39 113.55 112.34 1kvz h SER 27 Ca -0.45 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.28 1kvz h SER 27 Cb 1.34 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.90 1kvz h SER 27 CO 0.30 0.13 -0.93 0.25 -1.14 0.00 0.00 176.83 175.44 1kvz h LEU 28 N 0.00 0.65 0.05 5.07 5.85 -1.92 -3.35 115.31 121.65 1kvz h LEU 28 Ca -0.02 -0.85 -0.23 0.00 0.84 0.00 0.00 57.88 57.62 1kvz h LEU 28 Cb 1.12 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1kvz h LEU 28 CO 0.01 1.43 -1.23 -0.26 -0.34 0.00 0.00 178.44 178.05 1kvz h PHE 29 N -0.05 0.18 -6.73 1.25 -1.00 -1.76 -3.47 116.94 105.36 1kvz h PHE 29 Ca -0.14 -0.13 -0.55 0.00 2.81 0.00 0.00 57.97 59.96 1kvz h PHE 29 Cb 1.66 -0.01 -0.13 0.00 3.61 0.00 0.00 35.95 41.08 1kvz h PHE 29 CO 0.15 1.48 -0.90 -3.47 -1.61 0.00 0.00 178.31 173.96 1kvz n ASP 30 N -4.21 -0.49 -2.52 2.17 2.03 0.14 0.11 116.55 113.78 1kvz n ASP 30 Ca -0.27 -1.09 -0.20 0.00 0.52 0.00 0.00 54.79 53.75 1kvz n ASP 30 Cb 0.76 -2.55 0.02 0.00 -0.72 0.00 0.00 41.12 38.62 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 -3.37 -2.54 -0.02 0.00 4.76 0.31 -4.97 118.16 112.33 1kvz n LYS 32 Ca -0.15 -0.71 -0.00 0.00 -2.87 0.00 0.00 58.31 54.57 1kvz n LYS 32 Cb 0.63 -1.07 -0.00 0.00 -1.84 0.00 0.00 35.03 32.75 1kvz n LYS 32 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1kvz h ASP 33 N -2.73 0.00 -4.87 4.39 5.19 -1.93 -3.46 116.42 113.00 1kvz h ASP 33 Ca -0.19 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 1kvz h ASP 33 Cb 0.65 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.00 1kvz h ASP 33 CO 0.12 0.16 0.27 -1.59 -3.12 0.00 0.00 179.24 175.08 1kvz s LYS 34 N -1.20 1.07 -0.02 3.56 -2.85 -1.26 -2.42 119.74 116.62 1kvz s LYS 34 Ca -0.01 -0.12 -0.03 0.00 -1.00 0.00 0.00 55.97 54.81 1kvz s LYS 34 Cb 0.00 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1kvz s LYS 34 CO 0.01 -0.41 0.07 1.21 0.10 0.00 0.00 175.35 176.33 1kvz s ASN 35 N -1.99 -0.04 -0.23 0.03 3.84 -0.73 -4.98 114.94 110.85 1kvz s ASN 35 Ca -0.03 0.05 -0.06 0.00 0.21 0.00 0.00 52.86 53.03 1kvz s ASN 35 Cb -0.01 0.16 -0.02 0.00 -0.55 0.00 0.00 41.25 40.83 1kvz s ASN 35 CO -0.03 -0.09 0.04 -0.89 -2.79 0.00 0.00 177.10 173.34 1kvz s THR 36 N -0.26 4.11 0.23 -5.21 2.01 -1.26 -0.54 115.64 114.72 1kvz s THR 36 Ca -0.03 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1kvz s THR 36 Cb -0.02 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1kvz s THR 36 CO 0.00 0.37 0.37 -0.36 -0.69 0.00 0.00 174.62 174.32 1kvz s PHE 37 N 1.46 3.47 -0.09 4.92 0.08 0.12 -4.50 117.98 123.45 1kvz s PHE 37 Ca 0.05 0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.24 1kvz s PHE 37 Cb -0.15 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1kvz s PHE 37 CO 0.02 0.40 -0.09 0.42 -0.10 0.00 0.00 175.22 175.88 1kvz s ILE 38 N -1.95 3.52 -0.90 0.64 -1.09 0.30 -1.93 121.20 119.79 1kvz s ILE 38 Ca 0.36 -0.53 -0.15 0.00 -2.23 0.00 0.00 60.65 58.10 1kvz s ILE 38 Cb -0.10 -2.46 0.20 0.00 -1.58 0.00 0.00 42.46 38.53 1kvz s ILE 38 CO 0.30 0.57 0.93 -0.47 -1.23 0.00 0.00 174.94 175.03 1kvz s TYR 39 N -0.39 3.65 0.27 3.97 5.04 -0.66 -2.03 117.35 127.21 1kvz s TYR 39 Ca 0.05 -1.93 -0.20 0.00 -2.44 0.00 0.00 57.07 52.55 1kvz s TYR 39 Cb -0.12 -3.96 0.06 0.00 0.35 0.00 0.00 41.96 38.29 1kvz s TYR 39 CO 0.02 -1.13 0.89 0.45 -1.34 0.00 0.00 175.55 174.45 1kvz s SER 40 N 2.46 -0.05 0.12 4.32 0.15 -1.24 -4.42 113.70 115.03 1kvz s SER 40 Ca 0.24 -0.81 -0.06 0.00 0.70 0.00 0.00 55.95 56.02 1kvz s SER 40 Cb -0.08 0.66 -0.06 0.00 -1.71 0.00 0.00 66.02 64.83 1kvz s SER 40 CO -0.09 -1.30 0.38 -0.76 1.20 0.00 0.00 173.24 172.68 1kvz s LEU 41 N -3.15 4.29 0.06 3.45 1.43 -1.26 -4.63 118.68 118.88 1kvz s LEU 41 Ca 0.17 0.65 0.24 0.00 -1.03 0.00 0.00 54.13 54.16 1kvz s LEU 41 Cb -0.04 -3.19 0.97 0.00 0.03 0.00 0.00 46.19 43.97 1kvz s LEU 41 CO 0.07 0.10 1.76 -0.81 0.23 0.00 0.00 176.35 177.70 1kvz n PRO 42 N 0.38 0.07 0.20 1.29 -0.04 -1.26 -2.44 135.00 133.19 1kvz n PRO 42 Ca -0.04 0.15 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 1kvz n PRO 42 Cb 0.52 -1.59 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 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 3.95 -0.59 2.00 0.55 0.00 -1.97 -0.89 103.07 106.13 1kvz h GLY 43 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.40 1kvz h GLY 43 CO 0.00 -0.21 -0.70 -0.56 0.00 0.00 0.00 176.54 175.06 1kvz h PRO 44 N -1.10 0.00 0.15 4.80 0.13 -1.99 -1.62 132.00 132.36 1kvz h PRO 44 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1kvz h PRO 44 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1kvz h PRO 44 CO 0.09 0.70 -0.07 0.28 -0.23 0.00 0.00 178.00 178.78 1kvz h VAL 45 N 0.00 0.89 0.00 1.56 2.07 -1.58 -3.10 116.25 116.09 1kvz h VAL 45 Ca -0.01 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1kvz h VAL 45 Cb 1.35 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1kvz h VAL 45 CO 0.09 0.23 -0.08 0.50 0.02 0.00 0.00 177.57 178.33 1kvz h LYS 46 N -0.85 0.00 -0.57 1.57 3.64 -1.24 -1.87 116.57 117.24 1kvz h LYS 46 Ca -0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1kvz h LYS 46 Cb 0.53 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1kvz h LYS 46 CO 0.03 0.08 0.38 0.00 -2.27 0.00 0.00 179.45 177.67 1kvz h ALA 47 N 1.92 1.68 -0.66 5.00 0.00 -1.21 -1.17 119.26 124.81 1kvz h ALA 47 Ca -0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1kvz h ALA 47 Cb 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1kvz h ALA 47 CO 0.01 0.27 0.44 -0.07 0.00 0.00 0.00 179.25 179.90 1kvz h LEU 48 N 0.69 0.73 -0.03 0.00 3.38 -1.31 -0.14 115.31 118.63 1kvz h LEU 48 Ca 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1kvz h LEU 48 Cb 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1kvz h LEU 48 CO -0.06 0.52 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1kvz n ARG 50 N -2.40 0.62 0.00 0.00 3.00 -0.07 -0.47 116.66 117.34 1kvz n ARG 50 Ca 0.05 -0.45 0.00 0.00 -0.00 0.00 0.00 57.85 57.45 1kvz n ARG 50 Cb 0.44 -3.22 0.00 0.00 0.00 0.00 0.00 32.46 29.68 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 6.41 2.59 3.72 5.14 0.00 -1.26 -5.05 105.19 116.73 1kvz n GLY 51 Ca 0.47 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 3.23 -0.08 1.61 1.01 0.38 -4.90 120.40 121.64 1kvz s VAL 52 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.90 1kvz s VAL 52 Cb 0.00 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1kvz s VAL 52 CO 0.00 0.08 -0.06 -0.38 0.00 0.00 0.00 175.10 174.75 1kvz n ILE 53 N 3.66 0.48 -3.98 2.22 2.08 -1.26 -0.48 119.36 122.09 1kvz n ILE 53 Ca 0.10 -0.20 -0.25 0.00 0.56 0.00 0.00 62.75 62.96 1kvz n ILE 53 Cb 0.42 -0.81 -0.04 0.00 -0.75 0.00 0.00 39.64 38.46 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 -2.17 2.29 0.19 1.39 0.40 -1.26 -1.13 117.98 117.68 1kvz s PHE 54 Ca -0.10 -0.67 -0.32 0.00 -0.60 0.00 0.00 56.93 55.25 1kvz s PHE 54 Cb 0.03 -1.97 -0.11 0.00 0.51 0.00 0.00 43.02 41.48 1kvz s PHE 54 CO 0.21 -0.07 1.63 -1.12 0.70 0.00 0.00 175.22 176.57 1kvz s SER 55 N -4.06 6.50 -0.08 1.36 0.01 -1.21 -3.74 113.70 112.47 1kvz s SER 55 Ca 0.38 2.73 -0.22 0.00 1.31 0.00 0.00 55.95 60.15 1kvz s SER 55 Cb 0.00 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.69 1kvz s SER 55 CO 0.22 -0.89 0.52 0.00 0.41 0.00 0.00 173.24 173.51 1kvz s ALA 56 N 1.12 -1.33 -0.22 1.44 0.00 0.11 -4.90 121.76 117.99 1kvz s ALA 56 Ca 0.72 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 53.59 1kvz s ALA 56 Cb -0.46 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1kvz s ALA 56 CO 0.32 -0.30 0.37 -0.51 0.00 0.00 0.00 175.76 175.64 1kvz s ASP 57 N -0.79 6.38 0.12 0.00 1.11 -1.26 0.18 116.67 122.41 1kvz s ASP 57 Ca -0.09 0.44 0.06 0.00 0.18 0.00 0.00 52.55 53.14 1kvz s ASP 57 Cb -0.03 -2.22 -0.04 0.00 1.07 0.00 0.00 42.92 41.71 1kvz s ASP 57 CO 0.05 -0.08 -0.14 -0.69 1.18 0.00 0.00 175.17 175.50 1kvz s VAL 58 N 1.40 1.31 -0.06 -1.27 1.01 -0.26 -4.95 120.40 117.58 1kvz s VAL 58 Ca 0.17 -1.73 0.04 0.00 0.00 0.00 0.00 61.98 60.46 1kvz s VAL 58 Cb -0.15 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1kvz s VAL 58 CO 0.08 -0.43 -0.19 -0.76 0.00 0.00 0.00 175.10 173.80 1kvz s LEU 59 N -2.48 1.91 0.05 3.92 1.43 -1.26 -1.00 118.68 121.25 1kvz s LEU 59 Ca 0.09 -0.41 -0.31 0.00 -1.03 0.00 0.00 54.13 52.47 1kvz s LEU 59 Cb -0.05 -1.09 -0.07 0.00 0.03 0.00 0.00 46.19 45.01 1kvz s LEU 59 CO 0.03 0.14 1.51 -0.94 0.23 0.00 0.00 176.35 177.31 1kvz s SER 60 N 0.25 6.73 0.25 2.29 1.04 -0.91 -4.90 113.70 118.45 1kvz s SER 60 Ca -0.10 2.31 0.08 0.00 0.48 0.00 0.00 55.95 58.72 1kvz s SER 60 Cb -0.15 -2.57 0.27 0.00 0.10 0.00 0.00 66.02 63.68 1kvz s SER 60 CO 0.04 -0.79 1.56 0.78 0.98 0.00 0.00 173.24 175.82 1kvz h ASN 61 N 7.86 0.09 -3.09 7.02 -0.26 -1.99 -3.41 115.58 121.81 1kvz h ASN 61 Ca -0.40 -0.06 -0.60 0.00 -0.56 0.00 0.00 56.30 54.68 1kvz h ASN 61 Cb 1.19 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 38.38 1kvz h ASN 61 CO 0.91 0.72 -0.19 -0.44 -1.06 0.00 0.00 177.43 177.37 1kvz s SER 62 N -6.86 6.78 -0.11 5.81 0.01 -1.26 -5.00 113.70 113.07 1kvz s SER 62 Ca -0.02 0.95 -0.14 0.00 1.31 0.00 0.00 55.95 58.05 1kvz s SER 62 Cb 0.12 -2.24 -0.05 0.00 0.21 0.00 0.00 66.02 64.06 1kvz s SER 62 CO 0.78 0.25 0.34 -1.61 0.41 0.00 0.00 173.24 173.41 1kvz s GLU 63 N -1.43 4.10 0.48 12.44 2.02 -1.26 -4.56 118.70 130.49 1kvz s GLU 63 Ca 0.28 0.22 0.04 0.00 0.02 0.00 0.00 54.97 55.53 1kvz s GLU 63 Cb -0.16 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 1kvz s GLU 63 CO 0.16 0.40 0.09 -0.06 0.02 0.00 0.00 175.26 175.86 1kvz s PHE 64 N -0.07 2.11 0.45 1.61 0.40 -1.07 -4.77 117.98 116.64 1kvz s PHE 64 Ca 0.20 -0.81 -0.22 0.00 -0.60 0.00 0.00 56.93 55.49 1kvz s PHE 64 Cb -0.14 -1.75 -0.08 0.00 0.51 0.00 0.00 43.02 41.56 1kvz s PHE 64 CO 0.07 0.18 1.08 0.71 0.70 0.00 0.00 175.22 177.96 1kvz s TYR 65 N -2.78 3.06 -0.18 0.36 2.02 -1.26 -2.44 117.35 116.13 1kvz s TYR 65 Ca 0.22 1.59 -0.01 0.00 -0.37 0.00 0.00 57.07 58.51 1kvz s TYR 65 Cb 0.04 -3.18 0.05 0.00 -0.40 0.00 0.00 41.96 38.47 1kvz s TYR 65 CO 0.12 -0.94 -0.03 -0.51 -1.57 0.00 0.00 175.55 172.61 1kvz s LEU 66 N -3.06 1.66 -0.46 -1.29 1.43 0.14 -1.65 118.68 115.45 1kvz s LEU 66 Ca 0.63 -0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 1kvz s LEU 66 Cb -0.22 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 45.18 1kvz s LEU 66 CO 0.27 -0.22 0.42 0.00 0.23 0.00 0.00 176.35 177.04 1kvz s ALA 67 N 1.65 3.52 0.09 4.21 0.00 -0.81 -1.47 121.76 128.94 1kvz s ALA 67 Ca -0.01 -1.96 0.04 0.00 0.00 0.00 0.00 51.96 50.03 1kvz s ALA 67 Cb -0.16 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1kvz s ALA 67 CO -0.07 -1.72 0.02 -1.83 0.00 0.00 0.00 175.76 172.16 1kvz s GLU 68 N 1.82 2.65 -0.33 0.00 -1.05 -0.18 -0.70 118.70 120.91 1kvz s GLU 68 Ca 0.06 -0.79 0.02 0.00 -0.15 0.00 0.00 54.97 54.11 1kvz s GLU 68 Cb -0.22 -2.60 0.09 0.00 -0.44 0.00 0.00 34.13 30.96 1kvz s GLU 68 CO 0.08 0.55 0.05 0.00 0.95 0.00 0.00 175.26 176.89 1kvz s ASN 70 N 1.15 3.65 -0.25 0.00 -0.87 -1.10 -1.77 114.94 115.75 1kvz s ASN 70 Ca 0.05 -0.35 -0.22 0.00 -1.57 0.00 0.00 52.86 50.78 1kvz s ASN 70 Cb -0.20 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.25 40.40 1kvz s ASN 70 CO -0.06 0.31 0.69 0.68 -2.57 0.00 0.00 177.10 176.15 1kvz s VAL 71 N -0.74 4.94 0.72 1.60 -7.23 -1.02 -1.11 120.40 117.57 1kvz s VAL 71 Ca 0.12 1.26 -0.15 0.00 -1.81 0.00 0.00 61.98 61.39 1kvz s VAL 71 Cb -0.10 -3.99 0.03 0.00 0.56 0.00 0.00 36.38 32.88 1kvz s VAL 71 CO 0.01 0.01 1.22 -0.54 -0.31 0.00 0.00 175.10 175.49 1kvz s LYS 72 N 2.56 2.17 0.67 4.82 -0.14 -0.73 -4.95 119.74 124.14 1kvz s LYS 72 Ca 0.29 1.81 -0.12 0.00 -1.36 0.00 0.00 55.97 56.59 1kvz s LYS 72 Cb -0.15 -1.83 -0.01 0.00 -1.68 0.00 0.00 37.83 34.16 1kvz s LYS 72 CO 0.08 -1.82 1.05 -1.25 -0.76 0.00 0.00 175.35 172.65 1kvz s PRO 73 N -3.84 3.09 -1.55 -1.68 0.04 -1.26 -3.60 135.00 126.20 1kvz s PRO 73 Ca 0.76 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1kvz s PRO 73 Cb -0.30 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1kvz s PRO 73 CO 0.45 -0.98 0.00 0.54 0.04 0.00 0.00 177.00 177.05 1kvz n ARG 74 N -2.88 -1.42 -3.75 4.56 1.74 -1.26 -4.98 116.66 108.67 1kvz n ARG 74 Ca 0.08 0.88 -0.14 0.00 -0.77 0.00 0.00 57.85 57.90 1kvz n ARG 74 Cb 0.53 -5.37 -0.15 0.00 -1.02 0.00 0.00 32.46 26.46 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 -4.82 0.08 -0.96 5.56 3.01 -1.24 -5.10 119.74 116.27 1kvz s LYS 75 Ca 0.00 0.36 -0.24 0.00 -1.01 0.00 0.00 55.97 55.09 1kvz s LYS 75 Cb 0.00 -0.19 0.03 0.00 -1.01 0.00 0.00 37.83 36.66 1kvz s LYS 75 CO 0.00 -0.17 1.52 -1.25 0.51 0.00 0.00 175.35 175.96 1kvz s PRO 76 N 1.20 3.36 -1.33 -1.68 0.04 -1.26 -4.05 135.00 131.27 1kvz s PRO 76 Ca -0.09 -0.85 -0.08 0.00 0.04 0.00 0.00 61.00 60.02 1kvz s PRO 76 Cb -0.12 -5.16 0.01 0.00 0.04 0.00 0.00 34.50 29.27 1kvz s PRO 76 CO -0.06 -2.40 1.00 0.00 0.04 0.00 0.00 177.00 175.59 1kvz s LYS 78 N -6.11 3.57 0.45 0.00 -0.14 -1.26 -5.00 119.74 111.26 1kvz s LYS 78 Ca 0.50 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.69 1kvz s LYS 78 Cb -0.22 -3.80 0.00 0.00 -1.68 0.00 0.00 37.83 32.14 1kvz s LYS 78 CO 0.61 -0.50 0.65 0.71 -0.76 0.00 0.00 175.35 176.06 1kvz s TYR 79 N 1.98 3.10 -0.04 3.18 1.51 -1.26 -1.77 117.35 124.05 1kvz s TYR 79 Ca 0.11 0.07 -0.04 0.00 -1.01 0.00 0.00 57.07 56.19 1kvz s TYR 79 Cb -0.17 -2.35 0.01 0.00 -0.11 0.00 0.00 41.96 39.34 1kvz s TYR 79 CO 0.11 -0.41 0.12 0.21 -1.11 0.00 0.00 175.55 174.48 1kvz s LYS 80 N -4.52 0.16 0.01 -0.62 2.36 -0.26 -4.86 119.74 112.01 1kvz s LYS 80 Ca 0.50 0.13 -0.22 0.00 -2.55 0.00 0.00 55.97 53.83 1kvz s LYS 80 Cb -0.10 0.08 -0.05 0.00 -1.05 0.00 0.00 37.83 36.70 1kvz s LYS 80 CO 0.36 -0.02 0.66 -1.17 1.55 0.00 0.00 175.35 176.73 1kvz s LEU 81 N -0.02 4.42 -0.02 5.43 0.20 -1.26 -2.72 118.68 124.71 1kvz s LEU 81 Ca -0.01 1.26 0.00 0.00 0.69 0.00 0.00 54.13 56.08 1kvz s LEU 81 Cb -0.01 -3.04 0.02 0.00 -0.43 0.00 0.00 46.19 42.73 1kvz s LEU 81 CO 0.00 0.06 0.00 -0.54 -0.29 0.00 0.00 176.35 175.58 1kvz s LYS 82 N -0.08 0.16 0.12 1.98 -0.14 -0.91 -5.00 119.74 115.86 1kvz s LYS 82 Ca 0.34 0.07 0.04 0.00 -1.36 0.00 0.00 55.97 55.07 1kvz s LYS 82 Cb -0.19 -0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 35.60 1kvz s LYS 82 CO 0.19 -0.10 0.07 -1.59 -0.76 0.00 0.00 175.35 173.16 1kvz s LYS 83 N 0.74 2.75 0.35 1.68 0.00 -1.26 -1.00 119.74 123.00 1kvz s LYS 83 Ca -0.07 -0.82 -0.17 0.00 0.00 0.00 0.00 55.97 54.91 1kvz s LYS 83 Cb -0.10 -2.62 0.05 0.00 0.00 0.00 0.00 37.83 35.16 1kvz s LYS 83 CO -0.02 0.52 0.80 -1.12 0.00 0.00 0.00 175.35 175.53 1kvz s SER 84 N -2.63 -0.05 -0.11 0.03 0.01 -0.54 -4.93 113.70 105.49 1kvz s SER 84 Ca 0.29 -1.00 -0.02 0.00 1.31 0.00 0.00 55.95 56.52 1kvz s SER 84 Cb -0.11 0.80 0.04 0.00 0.21 0.00 0.00 66.02 66.96 1kvz s SER 84 CO 0.21 -1.57 0.03 -0.94 0.41 0.00 0.00 173.24 171.38 1kvz s SER 85 N -3.06 1.94 0.09 2.44 1.04 -1.26 0.23 113.70 115.13 1kvz s SER 85 Ca 0.15 -0.31 -0.26 0.00 0.48 0.00 0.00 55.95 56.00 1kvz s SER 85 Cb -0.05 -0.41 0.09 0.00 0.10 0.00 0.00 66.02 65.75 1kvz s SER 85 CO 0.10 -0.25 1.13 0.21 0.98 0.00 0.00 173.24 175.40 1kvz s ASN 86 N 2.00 -0.07 0.65 7.02 2.47 -1.02 -4.90 114.94 121.08 1kvz s ASN 86 Ca 0.03 -0.36 0.07 0.00 0.42 0.00 0.00 52.86 53.02 1kvz s ASN 86 Cb -0.14 0.34 0.11 0.00 -1.45 0.00 0.00 41.25 40.12 1kvz s ASN 86 CO -0.06 -0.66 0.89 0.00 -3.72 0.00 0.00 177.10 173.55 1kvz s ARG 87 N -2.58 2.00 -0.00 0.43 3.03 -1.26 -2.60 118.95 117.97 1kvz s ARG 87 Ca 0.17 -1.57 -0.04 0.00 2.03 0.00 0.00 55.73 56.33 1kvz s ARG 87 Cb 0.00 -2.54 -0.00 0.00 -1.03 0.00 0.00 34.95 31.39 1kvz s ARG 87 CO 0.01 -1.15 0.07 0.96 -1.13 0.00 0.00 175.30 174.06 1kvz s ILE 88 N -2.87 0.07 -0.28 4.99 -4.36 -1.26 -2.70 121.20 114.79 1kvz s ILE 88 Ca 0.65 -0.54 -0.10 0.00 -0.26 0.00 0.00 60.65 60.40 1kvz s ILE 88 Cb -0.05 -0.29 -0.04 0.00 1.25 0.00 0.00 42.46 43.34 1kvz s ILE 88 CO 0.42 -0.30 0.15 0.00 0.24 0.00 0.00 174.94 175.44 1kvz s ILE 90 N 1.69 1.58 -0.39 0.00 -4.36 -0.17 -0.62 121.20 118.93 1kvz s ILE 90 Ca 0.06 -2.11 -0.14 0.00 -0.26 0.00 0.00 60.65 58.20 1kvz s ILE 90 Cb -0.16 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.63 1kvz s ILE 90 CO 0.08 -0.59 0.28 -0.60 0.24 0.00 0.00 174.94 174.34 1kvz s ARG 91 N -3.51 3.01 -0.06 0.37 6.06 -0.87 -1.10 118.95 122.86 1kvz s ARG 91 Ca 0.19 -0.98 -0.03 0.00 -2.50 0.00 0.00 55.73 52.41 1kvz s ARG 91 Cb -0.01 -3.91 -0.04 0.00 0.06 0.00 0.00 34.95 31.05 1kvz s ARG 91 CO 0.05 -0.70 0.09 0.00 -2.50 0.00 0.00 175.30 172.24 1kvz s GLU 93 N -1.35 0.84 -1.69 0.00 -1.05 -1.01 -0.71 118.70 113.72 1kvz s GLU 93 Ca 0.19 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 55.87 1kvz s GLU 93 Cb -0.12 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1kvz s GLU 93 CO 0.09 -0.13 0.00 0.72 0.95 0.00 0.00 175.26 176.89 1kvz n HIS 94 N 2.44 -0.70 -2.94 4.83 8.25 -0.29 -1.89 115.22 124.93 1kvz n HIS 94 Ca -0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.15 1kvz n HIS 94 Cb 0.55 -3.57 0.03 0.00 1.12 0.00 0.00 29.99 28.12 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 -2.73 -4.18 -3.65 -0.41 1.02 0.37 -4.98 120.64 106.08 1kvz n GLU 95 Ca -0.22 0.66 -0.03 0.00 -0.02 0.00 0.00 57.16 57.55 1kvz n GLU 95 Cb 0.66 -5.02 -0.05 0.00 -0.02 0.00 0.00 31.44 27.01 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 -5.18 -1.08 -0.31 -4.62 0.05 -0.79 -4.65 118.68 102.10 1kvz s LEU 96 Ca 0.28 1.55 -0.29 0.00 0.05 0.00 0.00 54.13 55.72 1kvz s LEU 96 Cb -0.12 2.32 -0.00 0.00 -2.05 0.00 0.00 46.19 46.33 1kvz s LEU 96 CO 0.34 -0.23 1.41 -2.16 -0.55 0.00 0.00 176.35 175.16 1kvz s PRO 97 N 2.51 3.79 0.05 1.48 0.04 -1.26 -2.41 135.00 139.20 1kvz s PRO 97 Ca -0.07 1.27 0.20 0.00 0.04 0.00 0.00 61.00 62.44 1kvz s PRO 97 Cb -0.10 -3.96 -0.17 0.00 0.04 0.00 0.00 34.50 30.32 1kvz s PRO 97 CO -0.19 -1.29 0.70 1.33 0.04 0.00 0.00 177.00 177.60 1kvz n VAL 98 N 6.49 0.64 -4.37 -0.36 0.24 -0.95 -4.52 118.33 115.50 1kvz n VAL 98 Ca 0.16 -0.60 -0.20 0.00 -2.04 0.00 0.00 64.34 61.66 1kvz n VAL 98 Cb 0.47 -0.34 -0.09 0.00 -1.47 0.00 0.00 33.84 32.41 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 -3.22 1.67 -0.22 6.34 3.76 -1.25 -4.62 115.29 117.76 1kvz s HIS 99 Ca -0.05 -1.40 0.02 0.00 -0.15 0.00 0.00 55.06 53.49 1kvz s HIS 99 Cb 0.10 -0.91 0.04 0.00 1.11 0.00 0.00 32.58 32.93 1kvz s HIS 99 CO 0.84 -0.52 -0.16 -0.59 -0.85 0.00 0.00 174.74 173.46 1kvz s PHE 100 N -3.49 3.01 0.15 1.40 -0.71 -1.26 -2.05 117.98 115.03 1kvz s PHE 100 Ca 0.34 -1.96 -0.08 0.00 -1.04 0.00 0.00 56.93 54.20 1kvz s PHE 100 Cb 0.04 -1.93 -0.01 0.00 -1.21 0.00 0.00 43.02 39.91 1kvz s PHE 100 CO 0.19 -0.84 1.43 0.00 -1.34 0.00 0.00 175.22 174.66 1kvz h ALA 101 N 7.86 0.54 0.00 1.99 0.00 -1.13 -3.47 119.26 125.06 1kvz h ALA 101 Ca -0.33 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1kvz h ALA 101 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1kvz h ALA 101 CO 0.56 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.91 1kvz n GLY 102 N 0.38 -0.75 3.28 0.00 0.00 -0.59 -4.99 105.19 102.52 1kvz n GLY 102 Ca -0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 1kvz n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kvz s VAL 103 N -3.95 0.05 0.00 1.61 1.01 -1.26 -1.15 120.40 116.71 1kvz s VAL 103 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1kvz s VAL 103 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1kvz s VAL 103 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1kvz n GLY 104 N 1.13 1.20 3.31 4.51 0.00 -1.10 -4.70 105.19 109.55 1kvz n GLY 104 Ca -0.21 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 1.50 0.05 -0.61 -4.36 -1.26 -4.84 121.20 111.68 1kvz s ILE 105 Ca 0.00 -2.15 0.06 0.00 -0.26 0.00 0.00 60.65 58.31 1kvz s ILE 105 Cb 0.00 -2.01 -0.02 0.00 1.25 0.00 0.00 42.46 41.68 1kvz s ILE 105 CO 0.00 -0.62 -0.18 0.00 0.24 0.00 0.00 174.94 174.37