#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 0.11 0.03 -2.07 -1.26 -5.05 119.66 111.84 1kvz s GLN 2 Ca 0.00 0.37 0.02 0.00 -1.82 0.00 0.00 55.36 53.93 1kvz s GLN 2 Cb 0.00 -0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 31.69 1kvz s GLN 2 CO 0.00 -0.88 0.10 -0.25 -1.32 0.00 0.00 175.29 172.94 1kvz n ASP 3 N 5.37 -0.25 0.05 12.60 9.92 -1.26 -4.76 116.55 138.22 1kvz n ASP 3 Ca -0.00 -1.69 -0.15 0.00 -0.53 0.00 0.00 54.79 52.42 1kvz n ASP 3 Cb 0.50 0.57 -0.09 0.00 -0.64 0.00 0.00 41.12 41.46 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 1.34 -1.50 -0.93 1.24 -0.00 -1.90 -1.59 115.95 112.61 1kvz h TRP 4 Ca -0.08 0.05 0.27 0.00 -0.00 0.00 0.00 58.89 59.13 1kvz h TRP 4 Cb 0.38 0.66 -0.16 0.00 -0.00 0.00 0.00 29.16 30.04 1kvz h TRP 4 CO 0.00 -0.55 0.17 0.00 -0.00 0.00 0.00 178.44 178.07 1kvz h ALA 5 N -0.48 1.31 -0.30 2.65 0.00 -1.97 0.49 119.26 120.95 1kvz h ALA 5 Ca 0.01 0.28 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1kvz h ALA 5 Cb 0.69 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1kvz h ALA 5 CO -0.34 -0.56 -0.24 1.79 0.00 0.00 0.00 179.25 179.90 1kvz h THR 6 N 0.10 1.30 -0.57 0.00 1.35 -1.81 -2.89 112.91 110.38 1kvz h THR 6 Ca 0.60 -1.39 -0.04 0.00 -0.55 0.00 0.00 66.41 65.03 1kvz h THR 6 Cb 1.27 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 69.18 1kvz h THR 6 CO -0.78 0.45 0.20 0.15 -0.25 0.00 0.00 175.52 175.29 1kvz h PHE 7 N 0.45 0.85 0.02 4.73 3.57 0.53 0.21 116.94 127.29 1kvz h PHE 7 Ca 0.06 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1kvz h PHE 7 Cb 0.79 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1kvz h PHE 7 CO 0.07 0.68 -0.11 -0.22 -2.23 0.00 0.00 178.31 176.49 1kvz h LYS 8 N 0.83 -0.19 0.00 1.11 3.64 -0.05 0.11 116.57 122.03 1kvz h LYS 8 Ca 0.19 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1kvz h LYS 8 Cb 0.20 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1kvz h LYS 8 CO -0.01 -0.13 -0.12 1.63 -2.27 0.00 0.00 179.45 178.55 1kvz n LYS 9 N -5.24 0.28 -0.07 1.90 4.76 -1.11 -1.84 118.16 116.85 1kvz n LYS 9 Ca -0.06 0.20 -0.08 0.00 -2.87 0.00 0.00 58.31 55.50 1kvz n LYS 9 Cb 0.16 -1.79 -0.05 0.00 -1.84 0.00 0.00 35.03 31.50 1kvz n LYS 9 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1kvz h LYS 10 N 0.00 0.00 0.00 1.97 1.57 -0.00 -3.42 116.57 116.68 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 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1kvz h LYS 10 CO 0.00 0.38 -0.05 0.72 -0.57 0.00 0.00 179.45 179.94 1kvz n HIS 11 N -4.65 0.00 -4.37 -1.35 8.25 0.35 -4.49 115.22 108.96 1kvz n HIS 11 Ca -0.09 -0.61 -0.20 0.00 -0.26 0.00 0.00 57.72 56.56 1kvz n HIS 11 Cb 0.28 -0.09 -0.13 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 -1.57 2.16 0.23 2.41 1.43 -0.77 -0.14 118.68 122.43 1kvz s LEU 12 Ca 0.13 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1kvz s LEU 12 Cb 0.11 -0.61 -0.00 0.00 0.03 0.00 0.00 46.19 45.72 1kvz s LEU 12 CO 0.01 0.04 0.45 0.42 0.23 0.00 0.00 176.35 177.50 1kvz s THR 13 N -0.81 0.01 -0.21 5.49 -4.23 -0.96 -4.37 115.64 110.55 1kvz s THR 13 Ca 0.02 -1.39 0.11 0.00 -1.18 0.00 0.00 61.69 59.25 1kvz s THR 13 Cb -0.08 -2.14 0.42 0.00 1.34 0.00 0.00 72.50 72.05 1kvz s THR 13 CO 0.01 -0.04 1.23 -0.67 -0.54 0.00 0.00 174.62 174.62 1kvz n ASP 14 N -0.36 1.80 -3.61 3.99 2.03 -1.26 -3.97 116.55 115.18 1kvz n ASP 14 Ca -0.03 -3.85 -0.12 0.00 0.52 0.00 0.00 54.79 51.31 1kvz n ASP 14 Cb 0.62 -0.53 -0.07 0.00 -0.72 0.00 0.00 41.12 40.42 1kvz n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1kvz s THR 15 N -3.22 0.00 0.28 5.18 -1.32 -1.26 -5.04 115.64 110.26 1kvz s THR 15 Ca 0.38 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.85 1kvz s THR 15 Cb 0.37 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.52 1kvz s THR 15 CO -0.06 0.00 1.83 -0.25 -2.21 0.00 0.00 174.62 173.93 1kvz h TRP 16 N 4.04 0.85 -3.43 9.09 2.91 -1.97 -3.39 115.95 124.05 1kvz h TRP 16 Ca -0.27 -0.08 -0.60 0.00 1.13 0.00 0.00 58.89 59.08 1kvz h TRP 16 Cb 1.16 -0.25 -0.09 0.00 -0.51 0.00 0.00 29.16 29.47 1kvz h TRP 16 CO 0.35 0.71 0.53 -0.51 -1.03 0.00 0.00 178.44 178.49 1kvz s ASP 17 N -6.58 6.71 0.19 2.65 1.01 -1.26 -4.60 116.67 114.80 1kvz s ASP 17 Ca -0.10 0.70 0.06 0.00 0.71 0.00 0.00 52.55 53.92 1kvz s ASP 17 Cb 0.16 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 1kvz s ASP 17 CO 0.80 -0.73 0.10 -0.69 0.21 0.00 0.00 175.17 174.86 1kvz s VAL 18 N 3.22 4.21 -0.60 -1.27 1.01 -1.26 -5.03 120.40 120.68 1kvz s VAL 18 Ca 0.36 -1.29 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1kvz s VAL 18 Cb -0.13 -3.18 0.12 0.00 0.00 0.00 0.00 36.38 33.19 1kvz s VAL 18 CO 0.15 -0.18 0.66 -1.81 0.00 0.00 0.00 175.10 173.92 1kvz s ASP 19 N -3.25 6.23 -0.15 3.32 1.11 -1.26 -4.91 116.67 117.75 1kvz s ASP 19 Ca 0.30 -1.61 -0.16 0.00 0.18 0.00 0.00 52.55 51.26 1kvz s ASP 19 Cb -0.09 -2.27 -0.13 0.00 1.07 0.00 0.00 42.92 41.49 1kvz s ASP 19 CO 0.22 -1.02 0.22 0.00 1.18 0.00 0.00 175.17 175.78 1kvz h ASP 21 N -1.00 0.00 0.65 0.00 3.58 -1.90 0.34 116.42 118.09 1kvz h ASP 21 Ca -0.11 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.13 1kvz h ASP 21 Cb 0.78 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1kvz h ASP 21 CO -0.07 0.07 -0.96 -1.13 -2.88 0.00 0.00 179.24 174.28 1kvz h ASN 22 N 0.00 0.25 0.09 2.28 -0.73 -1.98 -3.31 115.58 112.19 1kvz h ASN 22 Ca -0.00 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 57.94 1kvz h ASN 22 Cb 0.22 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.73 1kvz h ASN 22 CO 0.01 1.07 -1.66 0.18 -0.37 0.00 0.00 177.43 176.67 1kvz n LEU 23 N -3.59 0.31 -0.24 0.34 4.32 -0.99 -4.56 117.00 112.58 1kvz n LEU 23 Ca -0.04 -0.09 0.01 0.00 -0.02 0.00 0.00 56.01 55.87 1kvz n LEU 23 Cb 0.86 -0.01 0.09 0.00 -1.62 0.00 0.00 43.42 42.75 1kvz n LEU 23 CO 0.49 0.05 0.74 -0.03 -1.22 0.00 0.00 177.39 177.41 1kvz h MET 24 N 0.00 0.01 0.00 3.23 4.05 -0.41 -0.14 114.93 121.67 1kvz h MET 24 Ca 0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1kvz h MET 24 Cb 0.87 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1kvz h MET 24 CO 0.00 0.01 0.00 -0.35 0.23 0.00 0.00 176.91 176.80 1kvz n PRO 25 N -5.45 0.40 -1.01 0.39 -0.04 -1.26 -0.02 135.00 128.01 1kvz n PRO 25 Ca 0.10 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.29 1kvz n PRO 25 Cb 0.38 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.27 0.00 0.12 0.52 -1.04 -0.07 -4.67 114.28 107.88 1kvz n THR 26 Ca 0.13 -0.46 0.05 0.00 -2.04 0.00 0.00 64.05 61.73 1kvz n THR 26 Cb 0.21 -1.23 0.02 0.00 -1.82 0.00 0.00 70.33 67.51 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 -2.79 0.00 -0.13 8.00 0.02 -1.89 0.44 113.55 117.21 1kvz h SER 27 Ca -0.41 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.48 1kvz h SER 27 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 1kvz h SER 27 CO 0.27 0.35 -0.15 0.25 -1.14 0.00 0.00 176.83 176.42 1kvz h LEU 28 N 0.00 0.35 0.13 5.07 5.85 -1.92 -3.30 115.31 121.48 1kvz h LEU 28 Ca -0.04 -0.50 -0.30 0.00 0.84 0.00 0.00 57.88 57.88 1kvz h LEU 28 Cb 1.31 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1kvz h LEU 28 CO 0.04 0.78 -1.53 -0.26 -0.34 0.00 0.00 178.44 177.13 1kvz h PHE 29 N -0.07 0.50 -6.74 1.25 -1.00 -1.74 -3.48 116.94 105.66 1kvz h PHE 29 Ca 0.02 -0.37 -0.55 0.00 2.81 0.00 0.00 57.97 59.88 1kvz h PHE 29 Cb 0.69 -0.02 -0.17 0.00 3.61 0.00 0.00 35.95 40.06 1kvz h PHE 29 CO 0.09 1.60 -0.88 -3.47 -1.61 0.00 0.00 178.31 174.04 1kvz n ASP 30 N -3.83 -1.52 -3.00 2.17 2.03 0.16 0.11 116.55 112.66 1kvz n ASP 30 Ca -0.25 -1.07 -0.22 0.00 0.52 0.00 0.00 54.79 53.77 1kvz n ASP 30 Cb 0.95 -2.61 0.04 0.00 -0.72 0.00 0.00 41.12 38.78 1kvz n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kvz n LYS 32 N -4.08 -2.71 -0.02 0.00 5.02 0.30 -4.96 118.16 111.72 1kvz n LYS 32 Ca -0.08 -0.79 -0.17 0.00 -2.02 0.00 0.00 58.31 55.25 1kvz n LYS 32 Cb 0.60 -1.78 -0.14 0.00 -0.02 0.00 0.00 35.03 33.70 1kvz n LYS 32 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1kvz h ASP 33 N -2.71 0.22 -4.75 4.39 3.32 -1.93 -3.44 116.42 111.51 1kvz h ASP 33 Ca -0.46 -0.96 0.01 0.00 0.02 0.00 0.00 57.03 55.64 1kvz h ASP 33 Cb 1.20 -0.07 -0.18 0.00 0.22 0.00 0.00 39.33 40.51 1kvz h ASP 33 CO 0.32 1.21 0.32 -1.59 -1.72 0.00 0.00 179.24 177.78 1kvz s LYS 34 N -2.32 0.97 -0.07 3.56 -2.85 -1.26 -0.50 119.74 117.27 1kvz s LYS 34 Ca -0.17 -0.02 -0.02 0.00 -1.00 0.00 0.00 55.97 54.77 1kvz s LYS 34 Cb -0.01 0.45 0.03 0.00 -2.06 0.00 0.00 37.83 36.25 1kvz s LYS 34 CO 0.75 -0.35 0.04 -0.80 0.10 0.00 0.00 175.35 175.09 1kvz s ASN 35 N -1.72 1.45 -0.25 0.03 -0.87 -0.09 -4.94 114.94 108.54 1kvz s ASN 35 Ca -0.04 -0.06 -0.11 0.00 -1.57 0.00 0.00 52.86 51.08 1kvz s ASN 35 Cb -0.00 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.25 40.90 1kvz s ASN 35 CO 0.00 -0.24 0.20 -0.89 -2.57 0.00 0.00 177.10 173.60 1kvz s THR 36 N 2.08 5.32 0.27 1.60 2.01 -1.26 -0.21 115.64 125.45 1kvz s THR 36 Ca 0.05 0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.35 1kvz s THR 36 Cb -0.13 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1kvz s THR 36 CO -0.04 0.29 0.28 -0.36 -0.69 0.00 0.00 174.62 174.10 1kvz s PHE 37 N 1.41 3.15 -0.03 4.92 0.40 -0.24 -4.29 117.98 123.29 1kvz s PHE 37 Ca 0.09 -0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.32 1kvz s PHE 37 Cb -0.15 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1kvz s PHE 37 CO 0.08 0.38 -0.14 0.42 0.70 0.00 0.00 175.22 176.66 1kvz s ILE 38 N -2.13 3.08 -1.16 0.64 -1.09 0.80 -1.98 121.20 119.36 1kvz s ILE 38 Ca 0.36 -0.79 -0.10 0.00 -2.23 0.00 0.00 60.65 57.88 1kvz s ILE 38 Cb -0.08 -2.23 0.24 0.00 -1.58 0.00 0.00 42.46 38.81 1kvz s ILE 38 CO 0.27 0.54 1.29 0.00 -1.23 0.00 0.00 174.94 175.81 1kvz n TYR 39 N 2.13 4.88 -4.16 3.97 9.36 -0.70 -2.26 117.16 130.38 1kvz n TYR 39 Ca -0.17 -3.58 -0.15 0.00 3.32 0.00 0.00 57.90 57.32 1kvz n TYR 39 Cb 0.52 -1.87 -0.07 0.00 -0.63 0.00 0.00 39.34 37.29 1kvz n TYR 39 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1kvz s SER 40 N 1.65 0.85 0.30 2.98 0.01 -1.25 -4.57 113.70 113.67 1kvz s SER 40 Ca 0.36 -1.48 0.06 0.00 1.31 0.00 0.00 55.95 56.20 1kvz s SER 40 Cb -0.06 0.55 -0.02 0.00 0.21 0.00 0.00 66.02 66.71 1kvz s SER 40 CO -0.03 -1.10 0.42 -0.76 0.41 0.00 0.00 173.24 172.18 1kvz s LEU 41 N -3.24 4.05 0.11 2.44 1.02 -1.26 -4.74 118.68 117.07 1kvz s LEU 41 Ca 0.35 -0.13 0.24 0.00 0.02 0.00 0.00 54.13 54.61 1kvz s LEU 41 Cb 0.02 -2.75 0.93 0.00 0.02 0.00 0.00 46.19 44.41 1kvz s LEU 41 CO 0.19 -0.31 1.73 -0.81 0.02 0.00 0.00 176.35 177.17 1kvz n PRO 42 N -1.55 0.11 0.11 1.29 -0.04 -1.26 -2.54 135.00 131.12 1kvz n PRO 42 Ca -0.03 0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1kvz n PRO 42 Cb 0.58 -1.66 -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 3.68 -0.38 2.00 0.55 0.00 -1.98 -2.50 103.07 104.44 1kvz h GLY 43 Ca 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 1kvz h GLY 43 CO 0.00 -0.14 -0.47 -0.56 0.00 0.00 0.00 176.54 175.37 1kvz h PRO 44 N -1.02 0.00 0.13 4.80 0.13 -1.99 -2.06 132.00 131.99 1kvz h PRO 44 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1kvz h PRO 44 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1kvz h PRO 44 CO 0.06 0.47 -0.06 0.28 -0.23 0.00 0.00 178.00 178.52 1kvz h VAL 45 N 0.00 0.99 0.00 1.56 2.07 -1.61 -3.10 116.25 116.15 1kvz h VAL 45 Ca -0.00 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1kvz h VAL 45 Cb 1.13 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1kvz h VAL 45 CO 0.06 0.26 -0.12 0.11 0.02 0.00 0.00 177.57 177.90 1kvz h LYS 46 N -0.82 0.00 -0.67 1.57 1.57 -1.52 -2.00 116.57 114.70 1kvz h LYS 46 Ca -0.02 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1kvz h LYS 46 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1kvz h LYS 46 CO 0.03 0.12 0.44 0.00 -0.57 0.00 0.00 179.45 179.47 1kvz h ALA 47 N 1.88 1.60 -0.44 3.86 0.00 -1.30 -1.32 119.26 123.54 1kvz h ALA 47 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1kvz h ALA 47 Cb 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1kvz h ALA 47 CO 0.02 0.33 0.08 -0.07 0.00 0.00 0.00 179.25 179.61 1kvz h LEU 48 N 0.82 0.62 0.00 0.00 4.07 -1.29 -2.08 115.31 117.45 1kvz h LEU 48 Ca 0.26 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1kvz h LEU 48 Cb 0.03 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.61 1kvz h LEU 48 CO -0.07 0.63 -0.12 0.00 -1.08 0.00 0.00 178.44 177.80 1kvz n ARG 50 N -2.36 0.75 0.00 0.00 0.63 -0.73 -0.64 116.66 114.31 1kvz n ARG 50 Ca 0.05 -0.39 0.00 0.00 -0.92 0.00 0.00 57.85 56.58 1kvz n ARG 50 Cb 0.45 -3.42 0.00 0.00 0.45 0.00 0.00 32.46 29.94 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 6.38 1.87 3.73 5.14 0.00 -1.26 -5.05 105.19 116.00 1kvz n GLY 51 Ca 0.44 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.18 2.34 -0.06 1.61 1.01 0.19 -4.90 120.40 120.40 1kvz s VAL 52 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1kvz s VAL 52 Cb 0.00 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1kvz s VAL 52 CO 0.00 0.03 -0.04 -0.38 0.00 0.00 0.00 175.10 174.71 1kvz n ILE 53 N 3.40 0.38 -4.65 2.22 2.08 -1.26 -0.68 119.36 120.85 1kvz n ILE 53 Ca 0.12 -0.17 -0.30 0.00 0.56 0.00 0.00 62.75 62.97 1kvz n ILE 53 Cb 0.37 -0.77 -0.08 0.00 -0.75 0.00 0.00 39.64 38.42 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 -2.13 1.81 -0.08 1.39 -0.12 -1.26 -1.32 117.98 116.26 1kvz s PHE 54 Ca -0.08 -1.13 -0.31 0.00 -0.05 0.00 0.00 56.93 55.36 1kvz s PHE 54 Cb 0.02 -1.39 -0.09 0.00 -0.63 0.00 0.00 43.02 40.93 1kvz s PHE 54 CO 0.17 -0.04 2.01 -1.13 -0.05 0.00 0.00 175.22 176.19 1kvz n SER 55 N -1.33 3.64 -3.80 1.98 3.41 -1.25 -3.83 113.62 112.44 1kvz n SER 55 Ca -0.14 0.75 -0.13 0.00 -0.26 0.00 0.00 58.87 59.10 1kvz n SER 55 Cb 0.66 -1.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.05 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 5.32 -0.63 -0.20 7.33 0.00 -0.26 -4.93 121.76 128.38 1kvz s ALA 56 Ca 0.94 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 1kvz s ALA 56 Cb -0.52 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1kvz s ALA 56 CO 0.44 -0.25 0.23 0.16 0.00 0.00 0.00 175.76 176.34 1kvz s ASP 57 N -1.36 6.27 0.08 0.00 1.47 -1.26 0.18 116.67 122.05 1kvz s ASP 57 Ca -0.14 0.31 0.09 0.00 1.18 0.00 0.00 52.55 53.98 1kvz s ASP 57 Cb -0.06 -2.14 -0.04 0.00 -0.34 0.00 0.00 42.92 40.34 1kvz s ASP 57 CO 0.03 0.08 -0.21 -0.69 0.68 0.00 0.00 175.17 175.07 1kvz s VAL 58 N 0.78 2.64 -0.13 2.11 1.01 0.16 -4.91 120.40 122.07 1kvz s VAL 58 Ca 0.12 -1.39 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 1kvz s VAL 58 Cb -0.13 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1kvz s VAL 58 CO 0.03 0.23 -0.11 -0.76 0.00 0.00 0.00 175.10 174.50 1kvz s LEU 59 N -1.71 2.87 0.25 3.92 1.43 -1.26 -0.29 118.68 123.89 1kvz s LEU 59 Ca 0.15 -0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.69 1kvz s LEU 59 Cb -0.10 -1.65 -0.13 0.00 0.03 0.00 0.00 46.19 44.33 1kvz s LEU 59 CO 0.06 0.19 1.33 -1.54 0.23 0.00 0.00 176.35 176.62 1kvz n SER 60 N 3.39 2.50 0.14 2.29 3.41 -0.86 -4.88 113.62 119.62 1kvz n SER 60 Ca -0.18 1.16 -0.01 0.00 -0.26 0.00 0.00 58.87 59.58 1kvz n SER 60 Cb 0.53 -1.40 0.22 0.00 -0.26 0.00 0.00 64.21 63.29 1kvz n SER 60 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1kvz h ASN 61 N 3.69 0.03 -4.51 4.04 4.21 -1.98 -3.44 115.58 117.62 1kvz h ASN 61 Ca -0.45 -0.02 -0.31 0.00 1.21 0.00 0.00 56.30 56.74 1kvz h ASN 61 Cb 1.29 -0.01 -0.23 0.00 -1.12 0.00 0.00 38.32 38.25 1kvz h ASN 61 CO 0.72 0.57 -0.75 -0.44 -1.29 0.00 0.00 177.43 176.24 1kvz s SER 62 N -6.88 0.92 0.19 5.81 0.01 -1.26 -5.13 113.70 107.36 1kvz s SER 62 Ca -0.02 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1kvz s SER 62 Cb 0.13 -0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.27 1kvz s SER 62 CO 0.76 -0.11 1.26 -1.61 0.41 0.00 0.00 173.24 173.94 1kvz s GLU 63 N -1.21 4.44 0.44 12.44 2.02 -1.26 -4.75 118.70 130.82 1kvz s GLU 63 Ca -0.06 1.96 0.07 0.00 0.02 0.00 0.00 54.97 56.96 1kvz s GLU 63 Cb -0.08 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 1kvz s GLU 63 CO 0.00 -0.18 0.22 -0.06 0.02 0.00 0.00 175.26 175.26 1kvz s PHE 64 N 0.09 2.42 0.40 1.61 0.08 -1.02 -4.73 117.98 116.83 1kvz s PHE 64 Ca 0.55 -0.64 -0.25 0.00 0.12 0.00 0.00 56.93 56.71 1kvz s PHE 64 Cb -0.34 -1.95 -0.08 0.00 -0.57 0.00 0.00 43.02 40.07 1kvz s PHE 64 CO 0.37 0.06 1.12 0.71 -0.10 0.00 0.00 175.22 177.38 1kvz s TYR 65 N -2.63 3.14 -0.16 0.36 2.02 -1.26 -2.49 117.35 116.33 1kvz s TYR 65 Ca 0.38 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.68 1kvz s TYR 65 Cb 0.02 -3.28 0.03 0.00 -0.40 0.00 0.00 41.96 38.33 1kvz s TYR 65 CO 0.21 -1.05 -0.13 -0.51 -1.57 0.00 0.00 175.55 172.51 1kvz s LEU 66 N -2.59 1.76 -0.48 -1.29 1.43 0.97 -1.72 118.68 116.76 1kvz s LEU 66 Ca 0.58 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.04 1kvz s LEU 66 Cb -0.27 -1.17 0.12 0.00 0.03 0.00 0.00 46.19 44.90 1kvz s LEU 66 CO 0.34 -0.08 0.35 0.00 0.23 0.00 0.00 176.35 177.19 1kvz s ALA 67 N 1.48 3.41 0.41 4.21 0.00 -0.84 -1.93 121.76 128.49 1kvz s ALA 67 Ca 0.04 -2.59 0.08 0.00 0.00 0.00 0.00 51.96 49.48 1kvz s ALA 67 Cb -0.13 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1kvz s ALA 67 CO -0.10 -1.92 0.28 -1.83 0.00 0.00 0.00 175.76 172.19 1kvz s GLU 68 N 1.25 2.40 -0.08 0.00 -1.05 -0.87 -1.08 118.70 119.27 1kvz s GLU 68 Ca 0.07 -1.65 0.02 0.00 -0.15 0.00 0.00 54.97 53.26 1kvz s GLU 68 Cb -0.25 -2.21 0.01 0.00 -0.44 0.00 0.00 34.13 31.24 1kvz s GLU 68 CO -0.01 -0.13 -0.14 0.00 0.95 0.00 0.00 175.26 175.93 1kvz s ASN 70 N 0.71 2.54 -0.40 0.00 3.84 -0.98 -0.91 114.94 119.73 1kvz s ASN 70 Ca -0.13 -0.45 -0.29 0.00 0.21 0.00 0.00 52.86 52.20 1kvz s ASN 70 Cb -0.16 -1.14 0.01 0.00 -0.55 0.00 0.00 41.25 39.41 1kvz s ASN 70 CO 0.03 0.03 1.39 -0.69 -2.79 0.00 0.00 177.10 175.07 1kvz s VAL 71 N 0.94 3.94 0.67 -5.21 1.01 0.35 -1.06 120.40 121.04 1kvz s VAL 71 Ca -0.07 0.97 -0.17 0.00 0.00 0.00 0.00 61.98 62.71 1kvz s VAL 71 Cb -0.15 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 1kvz s VAL 71 CO -0.01 -0.74 1.23 0.29 0.00 0.00 0.00 175.10 175.87 1kvz n LYS 72 N 7.98 0.94 -2.64 2.72 5.02 -0.80 -4.96 118.16 126.42 1kvz n LYS 72 Ca 0.16 0.38 -0.37 0.00 -2.02 0.00 0.00 58.31 56.46 1kvz n LYS 72 Cb 0.48 -2.47 -0.05 0.00 -0.02 0.00 0.00 35.03 32.97 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 -3.40 4.35 -1.45 1.97 0.04 -1.26 -3.48 135.00 131.78 1kvz s PRO 73 Ca 0.81 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1kvz s PRO 73 Cb -0.37 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1kvz s PRO 73 CO 0.43 0.04 0.00 0.54 0.04 0.00 0.00 177.00 178.05 1kvz n ARG 74 N 0.22 -1.26 -4.35 4.56 1.74 -1.26 -5.00 116.66 111.30 1kvz n ARG 74 Ca 0.04 0.84 -0.22 0.00 -0.77 0.00 0.00 57.85 57.73 1kvz n ARG 74 Cb 0.50 -5.20 -0.13 0.00 -1.02 0.00 0.00 32.46 26.61 1kvz n ARG 74 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1kvz s LYS 75 N -4.54 1.06 -1.24 5.56 -0.14 -1.23 -5.06 119.74 114.16 1kvz s LYS 75 Ca 0.00 -0.96 -0.21 0.00 -1.36 0.00 0.00 55.97 53.44 1kvz s LYS 75 Cb 0.00 -1.17 -0.02 0.00 -1.68 0.00 0.00 37.83 34.96 1kvz s LYS 75 CO 0.00 0.28 1.85 -0.35 -0.76 0.00 0.00 175.35 176.37 1kvz n PRO 76 N 1.51 2.29 -4.03 -1.68 -0.04 -1.26 -4.35 135.00 127.44 1kvz n PRO 76 Ca -0.19 -2.81 -0.28 0.00 -0.04 0.00 0.00 63.50 60.17 1kvz n PRO 76 Cb 0.54 -3.62 -0.02 0.00 -0.04 0.00 0.00 33.50 30.35 1kvz n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kvz s LYS 78 N -6.68 4.18 0.17 0.00 1.02 -1.26 -4.95 119.74 112.21 1kvz s LYS 78 Ca 0.22 -0.07 -0.03 0.00 0.02 0.00 0.00 55.97 56.12 1kvz s LYS 78 Cb -0.12 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 1kvz s LYS 78 CO 0.90 0.16 0.38 0.71 -0.92 0.00 0.00 175.35 176.58 1kvz s TYR 79 N 0.73 3.48 -0.12 3.18 2.02 -1.26 -1.90 117.35 123.49 1kvz s TYR 79 Ca 0.12 0.44 0.03 0.00 -0.37 0.00 0.00 57.07 57.29 1kvz s TYR 79 Cb -0.13 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1kvz s TYR 79 CO 0.03 0.41 -0.21 0.21 -1.57 0.00 0.00 175.55 174.42 1kvz s LYS 80 N -2.99 2.80 0.09 -0.62 2.36 -0.22 -4.84 119.74 116.31 1kvz s LYS 80 Ca 0.40 -0.78 -0.30 0.00 -2.55 0.00 0.00 55.97 52.73 1kvz s LYS 80 Cb -0.12 -2.23 -0.06 0.00 -1.05 0.00 0.00 37.83 34.38 1kvz s LYS 80 CO 0.27 0.03 1.10 -1.17 1.55 0.00 0.00 175.35 177.13 1kvz s LEU 81 N 0.70 4.42 -0.01 5.43 0.20 -1.26 -2.32 118.68 125.85 1kvz s LEU 81 Ca -0.11 1.94 0.02 0.00 0.69 0.00 0.00 54.13 56.67 1kvz s LEU 81 Cb -0.16 -3.59 -0.00 0.00 -0.43 0.00 0.00 46.19 42.01 1kvz s LEU 81 CO 0.02 -0.30 -0.06 -0.75 -0.29 0.00 0.00 176.35 174.97 1kvz s LYS 82 N 0.47 0.47 -0.01 1.98 2.20 -1.01 -5.00 119.74 118.84 1kvz s LYS 82 Ca 0.53 -0.20 0.05 0.00 -0.36 0.00 0.00 55.97 55.99 1kvz s LYS 82 Cb -0.27 -0.45 -0.03 0.00 -1.51 0.00 0.00 37.83 35.57 1kvz s LYS 82 CO 0.31 0.12 -0.13 -1.59 -0.36 0.00 0.00 175.35 173.69 1kvz s LYS 83 N -0.11 2.39 0.23 4.03 -2.85 -1.26 -2.06 119.74 120.12 1kvz s LYS 83 Ca 0.02 -0.79 -0.08 0.00 -1.00 0.00 0.00 55.97 54.12 1kvz s LYS 83 Cb -0.03 -2.35 0.03 0.00 -2.06 0.00 0.00 37.83 33.42 1kvz s LYS 83 CO -0.00 0.59 0.45 0.43 0.10 0.00 0.00 175.35 176.92 1kvz n SER 84 N 1.89 -1.30 -3.67 0.03 7.64 -0.81 -4.94 113.62 112.45 1kvz n SER 84 Ca -0.16 -1.95 -0.16 0.00 1.01 0.00 0.00 58.87 57.60 1kvz n SER 84 Cb 0.52 2.19 -0.15 0.00 -1.01 0.00 0.00 64.21 65.76 1kvz n SER 84 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1kvz s SER 85 N -2.22 0.61 0.08 6.43 0.01 -1.26 -0.02 113.70 117.32 1kvz s SER 85 Ca 0.10 0.39 -0.27 0.00 1.31 0.00 0.00 55.95 57.48 1kvz s SER 85 Cb -0.03 0.36 0.09 0.00 0.21 0.00 0.00 66.02 66.65 1kvz s SER 85 CO 0.07 -0.24 1.12 0.21 0.41 0.00 0.00 173.24 174.82 1kvz s ASN 86 N 2.24 -0.10 0.79 2.44 2.47 -1.04 -4.90 114.94 116.84 1kvz s ASN 86 Ca 0.02 -0.31 -0.05 0.00 0.42 0.00 0.00 52.86 52.94 1kvz s ASN 86 Cb -0.12 0.34 0.14 0.00 -1.45 0.00 0.00 41.25 40.16 1kvz s ASN 86 CO -0.06 -0.63 0.87 0.54 -3.72 0.00 0.00 177.10 174.10 1kvz n ARG 87 N -0.51 -0.35 -3.67 0.43 1.74 -1.26 -2.44 116.66 110.59 1kvz n ARG 87 Ca -0.07 -1.92 -0.14 0.00 -0.77 0.00 0.00 57.85 54.95 1kvz n ARG 87 Cb 0.61 -0.72 -0.08 0.00 -1.02 0.00 0.00 32.46 31.25 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 -2.69 0.00 -0.45 0.55 -4.36 -1.26 -2.40 121.20 110.58 1kvz s ILE 88 Ca 0.54 -0.04 -0.16 0.00 -0.26 0.00 0.00 60.65 60.73 1kvz s ILE 88 Cb -0.02 -0.79 0.05 0.00 1.25 0.00 0.00 42.46 42.95 1kvz s ILE 88 CO 0.37 -0.02 0.39 0.00 0.24 0.00 0.00 174.94 175.92 1kvz s ILE 90 N 1.78 4.04 -0.23 0.00 1.10 0.60 0.19 121.20 128.67 1kvz s ILE 90 Ca 0.06 -0.94 -0.13 0.00 -0.51 0.00 0.00 60.65 59.13 1kvz s ILE 90 Cb -0.22 -2.91 -0.04 0.00 0.15 0.00 0.00 42.46 39.44 1kvz s ILE 90 CO 0.09 0.15 0.28 -0.60 -2.11 0.00 0.00 174.94 172.75 1kvz s ARG 91 N -2.20 4.09 -0.02 3.50 3.52 0.31 0.39 118.95 128.54 1kvz s ARG 91 Ca 0.25 -0.06 0.06 0.00 -0.13 0.00 0.00 55.73 55.85 1kvz s ARG 91 Cb -0.12 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 1kvz s ARG 91 CO 0.17 -0.04 -0.20 0.00 -0.81 0.00 0.00 175.30 174.42 1kvz s GLU 93 N -0.43 0.49 -1.79 0.00 -1.05 -0.47 -1.11 118.70 114.34 1kvz s GLU 93 Ca 0.07 0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.08 1kvz s GLU 93 Cb -0.08 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1kvz s GLU 93 CO -0.00 -0.10 0.00 0.72 0.95 0.00 0.00 175.26 176.83 1kvz n HIS 94 N 2.28 -0.82 -2.88 4.83 8.25 -0.43 -1.57 115.22 124.87 1kvz n HIS 94 Ca -0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.16 1kvz n HIS 94 Cb 0.57 -3.71 0.03 0.00 1.12 0.00 0.00 29.99 28.00 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 -2.83 -3.61 -3.71 -0.41 1.02 0.14 -4.96 120.64 106.29 1kvz n GLU 95 Ca -0.23 0.52 -0.12 0.00 -0.02 0.00 0.00 57.16 57.32 1kvz n GLU 95 Cb 0.67 -4.59 -0.10 0.00 -0.02 0.00 0.00 31.44 27.40 1kvz n GLU 95 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1kvz s LEU 96 N -4.38 0.07 -0.40 -4.62 2.34 -0.61 -4.73 118.68 106.35 1kvz s LEU 96 Ca 0.24 0.91 -0.29 0.00 0.06 0.00 0.00 54.13 55.05 1kvz s LEU 96 Cb -0.11 1.44 0.02 0.00 -0.56 0.00 0.00 46.19 46.99 1kvz s LEU 96 CO 0.30 -0.18 1.08 -2.16 -1.06 0.00 0.00 176.35 174.34 1kvz s PRO 97 N 0.89 3.86 -0.06 1.48 0.04 -1.26 -1.36 135.00 138.58 1kvz s PRO 97 Ca -0.05 0.74 0.21 0.00 0.04 0.00 0.00 61.00 61.94 1kvz s PRO 97 Cb -0.06 -3.83 -0.29 0.00 0.04 0.00 0.00 34.50 30.36 1kvz s PRO 97 CO -0.07 -1.15 0.41 1.33 0.04 0.00 0.00 177.00 177.56 1kvz n VAL 98 N 6.36 0.47 -3.93 -0.36 0.24 -0.91 -3.92 118.33 116.28 1kvz n VAL 98 Ca 0.11 -0.61 -0.09 0.00 -2.04 0.00 0.00 64.34 61.71 1kvz n VAL 98 Cb 0.48 -0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 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 -3.20 0.18 -0.11 6.34 3.76 -1.24 -4.40 115.29 116.62 1kvz s HIS 99 Ca -0.08 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.23 1kvz s HIS 99 Cb 0.11 0.44 -0.02 0.00 1.11 0.00 0.00 32.58 34.22 1kvz s HIS 99 CO 0.88 -1.16 -0.12 -0.59 -0.85 0.00 0.00 174.74 172.90 1kvz s PHE 100 N -3.73 2.81 -0.07 1.40 -0.12 -1.26 -0.53 117.98 116.47 1kvz s PHE 100 Ca 0.18 -0.43 -0.25 0.00 -0.05 0.00 0.00 56.93 56.38 1kvz s PHE 100 Cb -0.03 -1.78 -0.26 0.00 -0.63 0.00 0.00 43.02 40.31 1kvz s PHE 100 CO 0.09 -0.04 0.93 0.00 -0.05 0.00 0.00 175.22 176.15 1kvz h ALA 101 N 6.21 -0.01 -3.00 1.99 0.00 -0.56 -3.46 119.26 120.44 1kvz h ALA 101 Ca -0.34 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1kvz h ALA 101 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1kvz h ALA 101 CO 0.55 0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.34 1kvz n GLY 102 N 1.35 1.43 3.39 0.00 0.00 -1.06 -4.89 105.19 105.40 1kvz n GLY 102 Ca -0.11 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.05 2.12 0.00 1.61 0.11 -1.26 -2.24 120.40 118.69 1kvz s VAL 103 Ca 0.00 -2.13 0.00 0.00 -2.93 0.00 0.00 61.98 56.92 1kvz s VAL 103 Cb 0.00 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.78 1kvz s VAL 103 CO 0.00 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 1kvz n GLY 104 N -0.07 0.70 3.33 6.54 0.00 -1.01 -4.60 105.19 110.08 1kvz n GLY 104 Ca -0.10 0.58 -0.21 0.00 0.00 0.00 0.00 46.02 46.29 1kvz n GLY 104 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1kvz s ILE 105 N 0.00 1.80 0.37 -0.61 2.07 -1.26 -4.32 121.20 119.25 1kvz s ILE 105 Ca 0.00 -1.93 -0.25 0.00 -1.41 0.00 0.00 60.65 57.06 1kvz s ILE 105 Cb 0.00 -1.85 -0.09 0.00 0.13 0.00 0.00 42.46 40.65 1kvz s ILE 105 CO 0.00 -0.34 1.03 0.00 -1.91 0.00 0.00 174.94 173.72