#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkd s LYS 2 N 0.00 4.26 -0.04 -0.14 3.01 -1.26 -5.01 119.74 120.56 1kkd s LYS 2 Ca 0.00 2.34 -0.01 0.00 -1.01 0.00 0.00 55.97 57.29 1kkd s LYS 2 Cb 0.00 -3.07 0.03 0.00 -1.01 0.00 0.00 37.83 33.77 1kkd s LYS 2 CO 0.00 -0.39 0.02 -0.51 0.51 0.00 0.00 175.35 174.97 1kkd s LEU 3 N -0.96 0.74 -0.05 3.17 1.02 -1.26 -5.14 118.68 116.20 1kkd s LEU 3 Ca 0.56 -0.01 -0.19 0.00 0.02 0.00 0.00 54.13 54.52 1kkd s LEU 3 Cb -0.42 -0.25 0.04 0.00 0.02 0.00 0.00 46.19 45.58 1kkd s LEU 3 CO 0.49 -0.17 0.42 -1.61 0.02 0.00 0.00 176.35 175.50 1kkd s GLU 4 N 1.57 0.73 -0.17 1.70 8.01 -1.26 -5.17 118.70 124.11 1kkd s GLU 4 Ca -0.02 0.05 -0.28 0.00 0.01 0.00 0.00 54.97 54.73 1kkd s GLU 4 Cb -0.13 0.34 0.07 0.00 -4.31 0.00 0.00 34.13 30.10 1kkd s GLU 4 CO -0.03 -0.20 0.73 -1.17 0.01 0.00 0.00 175.26 174.60 1kkd s LEU 5 N -1.04 -0.68 0.47 1.80 2.96 -1.26 -5.17 118.68 115.77 1kkd s LEU 5 Ca -0.11 1.08 -0.14 0.00 -0.22 0.00 0.00 54.13 54.74 1kkd s LEU 5 Cb -0.04 2.45 -0.07 0.00 0.50 0.00 0.00 46.19 49.03 1kkd s LEU 5 CO 0.05 -0.40 0.90 0.28 -1.32 0.00 0.00 176.35 175.86 1kkd s THR 6 N -0.34 4.63 0.16 3.68 -1.32 -1.26 -4.98 115.64 116.21 1kkd s THR 6 Ca -0.05 1.00 -0.13 0.00 -1.21 0.00 0.00 61.69 61.30 1kkd s THR 6 Cb -0.03 -3.72 0.06 0.00 -1.51 0.00 0.00 72.50 67.30 1kkd s THR 6 CO 0.04 -0.62 1.72 0.07 -2.21 0.00 0.00 174.62 173.62 1kkd h LYS 7 N 1.05 0.83 -4.73 7.08 5.09 -2.09 -3.49 116.57 120.32 1kkd h LYS 7 Ca -0.47 -0.15 0.00 0.00 0.09 0.00 0.00 60.65 60.12 1kkd h LYS 7 Cb 1.19 -0.13 -0.02 0.00 0.10 0.00 0.00 32.23 33.36 1kkd h LYS 7 CO 0.62 0.72 -1.08 0.00 -2.09 0.00 0.00 179.45 177.63 1kkd n ALA 8 N -2.35 -2.29 -2.37 0.07 0.00 -1.26 -4.70 120.51 107.61 1kkd n ALA 8 Ca 0.03 0.80 -0.38 0.00 0.00 0.00 0.00 53.44 53.89 1kkd n ALA 8 Cb 0.16 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 1kkd n ALA 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1kkd n GLU 9 N 1.80 2.59 -3.32 0.00 2.13 -1.26 -4.38 120.64 118.21 1kkd n GLU 9 Ca -0.07 -2.96 -0.22 0.00 0.66 0.00 0.00 57.16 54.57 1kkd n GLU 9 Cb 0.10 -3.58 -0.05 0.00 0.27 0.00 0.00 31.44 28.19 1kkd n GLU 9 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1kkd n LYS 10 N 8.31 -0.87 -0.19 5.31 5.02 -1.26 -4.04 118.16 130.43 1kkd n LYS 10 Ca 0.48 0.07 0.03 0.00 -2.02 0.00 0.00 58.31 56.86 1kkd n LYS 10 Cb 0.46 -2.48 -0.01 0.00 -0.02 0.00 0.00 35.03 32.98 1kkd n LYS 10 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kkd n HIS 11 N -2.67 -1.81 0.00 2.13 8.25 -1.26 -4.58 115.22 115.28 1kkd n HIS 11 Ca -0.01 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1kkd n HIS 11 Cb 0.30 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1kkd n HIS 11 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1kkd n VAL 12 N -1.18 0.00 0.00 1.59 0.31 -1.26 -4.87 118.33 112.92 1kkd n VAL 12 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1kkd n VAL 12 Cb 0.09 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1kkd n VAL 12 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1kkd n HIS 13 N 0.00 0.00 -1.40 3.52 -0.00 -1.26 -4.74 115.22 111.34 1kkd n HIS 13 Ca 0.00 0.00 -0.49 0.00 0.46 0.00 0.00 57.72 57.69 1kkd n HIS 13 Cb 0.00 -0.44 -0.13 0.00 -0.12 0.00 0.00 29.99 29.30 1kkd n HIS 13 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1kkd n ASN 14 N -1.45 0.72 0.02 0.26 3.02 -1.26 -4.65 115.26 111.91 1kkd n ASN 14 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1kkd n ASN 14 Cb 0.00 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 1kkd n ASN 14 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1kkd n PHE 15 N 9.60 -0.06 -1.15 3.10 -0.00 -1.26 -4.81 117.46 122.88 1kkd n PHE 15 Ca 0.58 0.01 -0.32 0.00 -0.00 0.00 0.00 57.45 57.73 1kkd n PHE 15 Cb 0.05 0.04 -0.05 0.00 -0.00 0.00 0.00 39.48 39.52 1kkd n PHE 15 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1kkd n MET 16 N -3.10 3.13 -0.20 -4.13 2.81 -1.26 -4.62 117.12 109.75 1kkd n MET 16 Ca 0.00 -1.87 -0.01 0.00 -1.81 0.00 0.00 57.70 54.02 1kkd n MET 16 Cb 0.34 -2.61 0.10 0.00 -0.71 0.00 0.00 33.22 30.35 1kkd n MET 16 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1kkd h MET 17 N 4.96 0.44 -6.00 0.03 2.86 -1.97 -3.47 114.93 111.78 1kkd h MET 17 Ca 0.70 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.32 1kkd h MET 17 Cb 0.43 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1kkd h MET 17 CO 1.49 0.29 -0.86 -0.25 1.06 0.00 0.00 176.91 178.64 1kkd n ASP 18 N -4.96 -6.65 0.01 1.22 8.00 -1.26 -4.97 116.55 107.94 1kkd n ASP 18 Ca 0.08 0.77 0.00 0.00 0.71 0.00 0.00 54.79 56.35 1kkd n ASP 18 Cb 0.25 -2.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.78 1kkd n ASP 18 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1kkd n THR 19 N 1.42 0.16 -0.02 -3.53 -2.24 -1.26 -4.95 114.28 103.87 1kkd n THR 19 Ca -0.03 0.05 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1kkd n THR 19 Cb 0.32 -1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.28 1kkd n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkd n GLN 20 N -2.98 0.09 -2.41 -0.78 10.64 -1.26 -4.81 117.38 115.87 1kkd n GLN 20 Ca 0.00 0.03 -0.43 0.00 -1.83 0.00 0.00 57.00 54.78 1kkd n GLN 20 Cb 0.31 -0.78 0.00 0.00 -0.86 0.00 0.00 30.24 28.91 1kkd n GLN 20 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1kkd n LEU 21 N -3.00 6.52 -0.04 2.61 4.77 -1.26 -4.39 117.00 122.21 1kkd n LEU 21 Ca -0.08 -4.64 -0.04 0.00 -0.03 0.00 0.00 56.01 51.22 1kkd n LEU 21 Cb 0.56 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.11 1kkd n LEU 21 CO 0.01 1.33 -0.75 1.07 -1.33 0.00 0.00 177.39 177.73 1kkd n THR 22 N 3.40 0.52 -0.34 -5.08 5.66 -1.26 -4.82 114.28 112.35 1kkd n THR 22 Ca 0.39 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1kkd n THR 22 Cb 0.37 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 1kkd n THR 22 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1kkd n LYS 23 N -2.29 0.00 -4.21 1.09 0.00 -1.26 -4.72 118.16 106.77 1kkd n LYS 23 Ca -0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.04 1kkd n LYS 23 Cb 0.74 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.67 1kkd n LYS 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1kkd s ARG 24 N 0.00 0.95 -1.57 -1.58 3.03 -1.26 -4.81 118.95 113.70 1kkd s ARG 24 Ca 0.00 -1.29 -0.04 0.00 2.03 0.00 0.00 55.73 56.43 1kkd s ARG 24 Cb 0.00 -0.58 0.04 0.00 -1.03 0.00 0.00 34.95 33.38 1kkd s ARG 24 CO 0.00 0.08 0.23 1.55 -1.13 0.00 0.00 175.30 176.03 1kkd n VAL 25 N 0.23 -1.35 -3.19 4.99 3.14 -1.26 0.20 118.33 121.08 1kkd n VAL 25 Ca -0.13 -0.40 -0.15 0.00 -2.96 0.00 0.00 64.34 60.69 1kkd n VAL 25 Cb 0.59 -1.37 -0.03 0.00 -1.06 0.00 0.00 33.84 31.97 1kkd n VAL 25 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1kkd n LYS 26 N -4.46 -2.13 0.00 1.45 3.00 -1.26 0.89 118.16 115.65 1kkd n LYS 26 Ca -0.24 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1kkd n LYS 26 Cb 0.65 -4.47 0.00 0.00 0.00 0.00 0.00 35.03 31.21 1kkd n LYS 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1kkd n ASN 27 N -1.80 0.00 0.00 3.14 4.05 0.55 -4.75 115.26 116.45 1kkd n ASN 27 Ca 0.04 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.07 1kkd n ASN 27 Cb 0.47 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.48 1kkd n ASN 27 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1kkd n ALA 28 N 0.00 0.00 -2.66 5.20 0.00 0.26 -3.56 120.51 119.74 1kkd n ALA 28 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1kkd n ALA 28 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1kkd n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkd n ALA 29 N 0.00 -3.92 -0.25 0.00 0.00 -1.26 -5.03 120.51 110.05 1kkd n ALA 29 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 1kkd n ALA 29 Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 19.45 15.93 1kkd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkd n ALA 30 N 2.25 -0.38 -1.98 0.00 0.00 -1.23 -4.15 120.51 115.01 1kkd n ALA 30 Ca 0.08 0.51 -0.05 0.00 0.00 0.00 0.00 53.44 53.98 1kkd n ALA 30 Cb 0.67 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 20.13 1kkd n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kkd n ASN 31 N -4.40 -0.66 -1.67 0.00 4.13 -1.26 -4.96 115.26 106.43 1kkd n ASN 31 Ca 0.01 -1.64 -0.01 0.00 1.68 0.00 0.00 54.58 54.63 1kkd n ASN 31 Cb 0.16 0.20 -0.00 0.00 -1.54 0.00 0.00 39.78 38.59 1kkd n ASN 31 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1kkd n VAL 32 N 0.00 -0.02 0.00 2.41 3.14 -1.26 0.23 118.33 122.83 1kkd n VAL 32 Ca -0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1kkd n VAL 32 Cb 0.62 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 1kkd n VAL 32 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1kkd n LEU 33 N -1.70 0.00 0.00 6.55 0.00 -1.26 -3.44 117.00 117.15 1kkd n LEU 33 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 56.01 56.10 1kkd n LEU 33 Cb 0.24 0.00 0.43 0.00 0.00 0.00 0.00 43.42 44.09 1kkd n LEU 33 CO 0.01 0.00 0.81 -2.11 0.00 0.00 0.00 177.39 176.11 1kkd n ARG 34 N 0.00 0.03 -3.83 1.96 1.85 -1.17 -4.92 116.66 110.58 1kkd n ARG 34 Ca 0.00 0.15 -0.29 0.00 -1.00 0.00 0.00 57.85 56.71 1kkd n ARG 34 Cb 0.00 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 29.92 1kkd n ARG 34 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1kkd n GLU 35 N -1.48 -1.20 0.09 2.89 0.28 0.63 -4.82 120.64 117.03 1kkd n GLU 35 Ca 0.05 0.61 0.13 0.00 -0.16 0.00 0.00 57.16 57.79 1kkd n GLU 35 Cb 0.23 -2.56 0.44 0.00 1.43 0.00 0.00 31.44 30.98 1kkd n GLU 35 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1kkd n THR 36 N -3.24 0.56 1.04 3.84 5.66 -1.26 -2.30 114.28 118.58 1kkd n THR 36 Ca -0.25 -0.16 0.12 0.00 -3.05 0.00 0.00 64.05 60.71 1kkd n THR 36 Cb 0.65 -0.67 0.27 0.00 -1.55 0.00 0.00 70.33 69.03 1kkd n THR 36 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1kkd n TRP 37 N -2.14 0.00 -0.04 1.09 7.02 -1.26 -1.25 117.44 120.85 1kkd n TRP 37 Ca 0.05 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.34 1kkd n TRP 37 Cb 0.38 -0.23 -0.13 0.00 -2.42 0.00 0.00 31.31 28.91 1kkd n TRP 37 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1kkd n LEU 38 N -1.37 2.50 0.06 -0.99 7.99 -0.97 -4.41 117.00 119.81 1kkd n LEU 38 Ca 0.07 0.10 -0.23 0.00 -0.01 0.00 0.00 56.01 55.94 1kkd n LEU 38 Cb 0.34 -0.88 -0.15 0.00 -0.11 0.00 0.00 43.42 42.62 1kkd n LEU 38 CO 0.34 0.83 -0.39 0.16 -1.51 0.00 0.00 177.39 176.82 1kkd h ILE 39 N 0.04 1.09 -3.17 -0.08 3.07 -1.59 -3.50 117.51 113.36 1kkd h ILE 39 Ca -0.47 -2.51 0.30 0.00 1.55 0.00 0.00 64.86 63.73 1kkd h ILE 39 Cb 2.00 2.85 -0.16 0.00 -0.27 0.00 0.00 36.82 41.24 1kkd h ILE 39 CO 0.03 0.79 -1.07 -1.22 -1.05 0.00 0.00 178.15 175.63 1kkd n TYR 40 N -3.78 -3.32 -2.41 0.16 4.02 -0.38 -4.48 117.16 106.97 1kkd n TYR 40 Ca -0.22 1.83 -0.40 0.00 -0.01 0.00 0.00 57.90 59.09 1kkd n TYR 40 Cb 1.00 -3.02 -0.03 0.00 -0.02 0.00 0.00 39.34 37.26 1kkd n TYR 40 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1kkd s LYS 41 N -4.34 3.05 -0.41 -0.72 3.01 -1.26 -4.86 119.74 114.21 1kkd s LYS 41 Ca 0.00 0.02 0.05 0.00 -1.01 0.00 0.00 55.97 55.03 1kkd s LYS 41 Cb 0.00 -4.23 0.17 0.00 -1.01 0.00 0.00 37.83 32.76 1kkd s LYS 41 CO 0.00 -2.28 0.49 -0.80 0.51 0.00 0.00 175.35 173.26 1kkd s ASN 42 N 4.89 0.13 0.36 2.83 -0.87 -1.26 -4.98 114.94 116.04 1kkd s ASN 42 Ca 0.44 -1.55 0.00 0.00 -1.57 0.00 0.00 52.86 50.19 1kkd s ASN 42 Cb -0.09 1.01 0.00 0.00 -0.02 0.00 0.00 41.25 42.15 1kkd s ASN 42 CO 0.17 -0.20 0.00 0.35 -2.57 0.00 0.00 177.10 174.85 1kkd n THR 43 N 3.97 0.00 -2.76 1.60 -2.24 -1.26 -5.05 114.28 108.54 1kkd n THR 43 Ca 0.14 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 1kkd n THR 43 Cb 0.50 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1kkd n THR 43 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1kkd s LYS 44 N -1.95 3.44 -1.23 -0.78 0.00 -1.26 -4.91 119.74 113.05 1kkd s LYS 44 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 55.97 55.89 1kkd s LYS 44 Cb 0.00 -4.01 -0.09 0.00 0.00 0.00 0.00 37.83 33.73 1kkd s LYS 44 CO 0.00 -1.47 3.02 1.28 0.00 0.00 0.00 175.35 178.17 1kkd n LEU 45 N 7.67 7.92 -3.56 2.77 4.77 -1.26 -4.66 117.00 130.64 1kkd n LEU 45 Ca 0.05 -4.19 -0.29 0.00 -0.03 0.00 0.00 56.01 51.54 1kkd n LEU 45 Cb 0.48 -1.49 -0.13 0.00 -2.33 0.00 0.00 43.42 39.95 1kkd n LEU 45 CO 0.66 1.99 -0.29 -0.69 -1.33 0.00 0.00 177.39 177.73 1kkd s VAL 46 N 1.35 0.61 -0.01 4.08 1.01 -1.26 -4.88 120.40 121.30 1kkd s VAL 46 Ca 0.67 -1.98 0.01 0.00 0.00 0.00 0.00 61.98 60.68 1kkd s VAL 46 Cb 0.22 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1kkd s VAL 46 CO -0.06 -0.94 0.79 2.29 0.00 0.00 0.00 175.10 177.18 1kkd n LYS 47 N 3.92 0.27 -2.25 2.72 0.00 -1.26 -5.09 118.16 116.47 1kkd n LYS 47 Ca 0.10 -0.91 -0.38 0.00 -0.00 0.00 0.00 58.31 57.11 1kkd n LYS 47 Cb 0.36 -0.59 -0.02 0.00 -0.00 0.00 0.00 35.03 34.78 1kkd n LYS 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1kkd s LYS 48 N -0.25 4.02 0.00 -1.58 0.00 -1.26 -5.02 119.74 115.65 1kkd s LYS 48 Ca 0.02 1.89 0.00 0.00 0.00 0.00 0.00 55.97 57.88 1kkd s LYS 48 Cb 0.02 -2.67 0.00 0.00 0.00 0.00 0.00 37.83 35.18 1kkd s LYS 48 CO 0.00 -0.37 0.00 0.44 0.00 0.00 0.00 175.35 175.43 1kkd n ILE 49 N 0.05 0.00 0.00 3.79 -0.00 -1.26 -5.00 119.36 116.94 1kkd n ILE 49 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 1kkd n ILE 49 Cb 0.46 -0.05 0.00 0.00 -0.00 0.00 0.00 39.64 40.05 1kkd n ILE 49 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1kkd n ASP 50 N -1.64 0.00 -3.23 7.28 2.03 -1.26 -5.08 116.55 114.65 1kkd n ASP 50 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1kkd n ASP 50 Cb 0.00 0.06 0.02 0.00 -0.72 0.00 0.00 41.12 40.48 1kkd n ASP 50 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1kkd n HIS 51 N -1.30 -2.99 -1.56 -0.67 -0.00 -1.26 -4.90 115.22 102.55 1kkd n HIS 51 Ca 0.00 1.22 -0.34 0.00 -0.00 0.00 0.00 57.72 58.60 1kkd n HIS 51 Cb 0.00 -3.04 0.08 0.00 -0.00 0.00 0.00 29.99 27.02 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kkd s ALA 52 N -2.23 2.25 -0.31 1.57 0.00 -1.26 -5.03 121.76 116.75 1kkd s ALA 52 Ca 0.25 0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.99 1kkd s ALA 52 Cb -0.04 -3.41 0.18 0.00 0.00 0.00 0.00 23.12 19.85 1kkd s ALA 52 CO 0.82 -1.64 0.51 -1.59 0.00 0.00 0.00 175.76 173.86 1kkd s LYS 53 N -4.00 0.53 -0.60 0.00 -2.85 -1.26 -5.07 119.74 106.50 1kkd s LYS 53 Ca 0.71 0.22 0.06 0.00 -1.00 0.00 0.00 55.97 55.96 1kkd s LYS 53 Cb -0.25 -0.05 0.22 0.00 -2.06 0.00 0.00 37.83 35.69 1kkd s LYS 53 CO 0.44 -1.07 0.59 0.28 0.10 0.00 0.00 175.35 175.69 1kkd n VAL 54 N 5.23 1.27 -3.63 1.79 0.31 -1.26 -5.02 118.33 117.02 1kkd n VAL 54 Ca 0.04 -4.73 -0.02 0.00 -0.01 0.00 0.00 64.34 59.62 1kkd n VAL 54 Cb 0.52 -2.05 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 1kkd n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kkd s ARG 55 N -1.70 0.53 0.37 5.55 3.03 -1.26 -5.17 118.95 120.30 1kkd s ARG 55 Ca 0.34 1.36 0.08 0.00 2.03 0.00 0.00 55.73 59.54 1kkd s ARG 55 Cb 0.08 0.76 -0.03 0.00 -1.03 0.00 0.00 34.95 34.74 1kkd s ARG 55 CO -0.09 -0.23 0.25 -1.59 -1.13 0.00 0.00 175.30 172.51 1kkd s LYS 56 N 2.85 2.48 -0.45 3.89 -2.85 -1.26 -5.09 119.74 119.31 1kkd s LYS 56 Ca -0.04 -1.52 0.06 0.00 -1.00 0.00 0.00 55.97 53.47 1kkd s LYS 56 Cb -0.12 -2.28 0.21 0.00 -2.06 0.00 0.00 37.83 33.58 1kkd s LYS 56 CO -0.18 -0.01 0.60 -2.39 0.10 0.00 0.00 175.35 173.48 1kkd n HIS 57 N -1.32 -2.02 -3.59 1.78 1.44 -1.26 -5.11 115.22 105.14 1kkd n HIS 57 Ca -0.01 -2.57 -0.14 0.00 -2.01 0.00 0.00 57.72 53.00 1kkd n HIS 57 Cb 0.61 0.68 -0.06 0.00 0.12 0.00 0.00 29.99 31.34 1kkd n HIS 57 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1kkd s GLN 58 N 0.06 0.80 -0.01 -1.40 -2.07 -1.26 -5.17 119.66 110.61 1kkd s GLN 58 Ca 0.33 0.57 0.06 0.00 -1.82 0.00 0.00 55.36 54.50 1kkd s GLN 58 Cb 0.11 0.38 -0.02 0.00 -1.09 0.00 0.00 33.01 32.40 1kkd s GLN 58 CO -0.15 -0.17 -0.20 1.03 -1.32 0.00 0.00 175.29 174.48 1kkd s ARG 59 N -0.33 1.58 -0.37 9.60 0.52 -1.26 -5.07 118.95 123.62 1kkd s ARG 59 Ca -0.03 -0.74 -0.27 0.00 -0.52 0.00 0.00 55.73 54.17 1kkd s ARG 59 Cb -0.03 -1.55 -0.05 0.00 0.52 0.00 0.00 34.95 33.85 1kkd s ARG 59 CO 0.02 0.42 2.15 0.15 0.02 0.00 0.00 175.30 178.07 1kkd s LYS 60 N -0.56 2.79 -0.02 3.54 3.01 -1.26 -4.93 119.74 122.32 1kkd s LYS 60 Ca 0.08 1.55 0.01 0.00 -1.01 0.00 0.00 55.97 56.60 1kkd s LYS 60 Cb -0.08 -4.41 0.01 0.00 -1.01 0.00 0.00 37.83 32.35 1kkd s LYS 60 CO -0.00 -2.49 -0.03 -0.59 0.51 0.00 0.00 175.35 172.74 1kkd s PHE 61 N 9.32 0.44 0.17 3.18 -0.71 -1.26 -5.15 117.98 123.97 1kkd s PHE 61 Ca 0.92 -0.08 -0.00 0.00 -1.04 0.00 0.00 56.93 56.73 1kkd s PHE 61 Cb -0.24 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.15 1kkd s PHE 61 CO 0.30 -0.08 0.06 -0.48 -1.34 0.00 0.00 175.22 173.69 1kkd s LEU 62 N 0.43 1.70 -0.28 -1.99 2.34 -1.26 -5.14 118.68 114.48 1kkd s LEU 62 Ca -0.05 -1.26 -0.00 0.00 0.06 0.00 0.00 54.13 52.88 1kkd s LEU 62 Cb -0.08 0.20 0.09 0.00 -0.56 0.00 0.00 46.19 45.84 1kkd s LEU 62 CO -0.01 -0.72 0.05 -1.10 -1.06 0.00 0.00 176.35 173.52 1kkd s GLN 63 N -4.04 0.97 -0.30 1.48 -1.52 -1.26 -5.02 119.66 109.97 1kkd s GLN 63 Ca 0.29 -1.06 -0.15 0.00 -1.95 0.00 0.00 55.36 52.49 1kkd s GLN 63 Cb 0.07 -2.28 0.18 0.00 -0.22 0.00 0.00 33.01 30.77 1kkd s GLN 63 CO 0.06 -0.85 1.17 0.00 -0.25 0.00 0.00 175.29 175.42 1kkd s ALA 64 N 1.52 -4.75 0.00 6.09 0.00 -1.26 -5.14 121.76 118.22 1kkd s ALA 64 Ca 0.05 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1kkd s ALA 64 Cb -0.18 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1kkd s ALA 64 CO -0.17 -2.37 0.00 -0.89 0.00 0.00 0.00 175.76 172.34 1kkd n ILE 65 N 4.29 0.00 -2.62 0.00 5.41 -1.26 -5.00 119.36 120.18 1kkd n ILE 65 Ca 0.08 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.66 1kkd n ILE 65 Cb 0.62 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.56 1kkd n ILE 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kkd n HIS 66 N 0.00 2.06 -0.84 1.39 1.44 -1.26 -4.96 115.22 113.05 1kkd n HIS 66 Ca 0.00 -2.99 -0.25 0.00 -2.01 0.00 0.00 57.72 52.47 1kkd n HIS 66 Cb 0.00 -0.27 -0.02 0.00 0.12 0.00 0.00 29.99 29.82 1kkd n HIS 66 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1kkd n GLN 67 N -0.21 2.35 -0.64 -1.40 0.00 -1.26 -4.90 117.38 111.33 1kkd n GLN 67 Ca 0.22 -1.59 -0.29 0.00 0.00 0.00 0.00 57.00 55.34 1kkd n GLN 67 Cb 0.74 -2.52 0.26 0.00 0.00 0.00 0.00 30.24 28.72 1kkd n GLN 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1kkd s LEU 68 N 0.13 0.13 0.32 2.61 1.43 -1.26 -5.05 118.68 116.99 1kkd s LEU 68 Ca 0.45 1.08 0.08 0.00 -1.03 0.00 0.00 54.13 54.71 1kkd s LEU 68 Cb 0.11 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1kkd s LEU 68 CO -0.04 -4.53 0.16 -0.13 0.23 0.00 0.00 176.35 172.04 1kkd s ARG 69 N -4.89 2.49 -0.41 1.70 0.52 -1.26 -5.10 118.95 112.00 1kkd s ARG 69 Ca 0.69 -1.42 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 1kkd s ARG 69 Cb -0.18 -2.28 0.17 0.00 0.52 0.00 0.00 34.95 33.18 1kkd s ARG 69 CO 0.60 0.17 0.37 0.45 0.02 0.00 0.00 175.30 176.91 1kkd s SER 70 N -3.85 1.24 -0.81 0.23 0.15 -1.26 -5.02 113.70 104.38 1kkd s SER 70 Ca 0.37 -2.79 -0.08 0.00 0.70 0.00 0.00 55.95 54.15 1kkd s SER 70 Cb -0.04 -0.14 -0.07 0.00 -1.71 0.00 0.00 66.02 64.06 1kkd s SER 70 CO 0.23 -0.17 1.98 1.33 1.20 0.00 0.00 173.24 177.81 1kkd n VAL 71 N 3.02 2.11 -4.31 4.45 0.24 -1.26 -4.33 118.33 118.25 1kkd n VAL 71 Ca 0.26 -1.35 -0.38 0.00 -2.04 0.00 0.00 64.34 60.83 1kkd n VAL 71 Cb 0.48 -2.11 -0.06 0.00 -1.47 0.00 0.00 33.84 30.68 1kkd n VAL 71 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1kkd n LYS 72 N 4.78 -1.71 0.00 7.34 4.76 -1.26 -2.85 118.16 129.22 1kkd n LYS 72 Ca 0.42 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 1kkd n LYS 72 Cb 0.17 -4.86 0.00 0.00 -1.84 0.00 0.00 35.03 28.50 1kkd n LYS 72 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1kkd n MET 73 N -4.09 0.00 -3.51 1.97 2.81 -1.26 -4.76 117.12 108.29 1kkd n MET 73 Ca 0.10 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.62 1kkd n MET 73 Cb 0.47 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.01 1kkd n MET 73 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1kkd n GLU 74 N 0.00 -1.82 -3.20 0.03 2.13 -1.13 -4.93 120.64 111.72 1kkd n GLU 74 Ca 0.00 1.27 -0.23 0.00 0.66 0.00 0.00 57.16 58.86 1kkd n GLU 74 Cb 0.00 -1.97 -0.06 0.00 0.27 0.00 0.00 31.44 29.68 1kkd n GLU 74 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1kkd n GLN 75 N -0.58 1.21 -3.05 5.31 6.02 -1.26 -5.02 117.38 120.01 1kkd n GLN 75 Ca -0.13 -3.58 0.00 0.00 -0.01 0.00 0.00 57.00 53.29 1kkd n GLN 75 Cb 0.67 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.37 1kkd n GLN 75 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1kkd n ARG 76 N 0.88 -0.33 -1.23 -1.09 1.74 -1.26 -4.92 116.66 110.46 1kkd n ARG 76 Ca 0.24 0.77 -0.30 0.00 -0.77 0.00 0.00 57.85 57.79 1kkd n ARG 76 Cb 0.54 -0.91 0.22 0.00 -1.02 0.00 0.00 32.46 31.29 1kkd n ARG 76 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1kkd s LYS 77 N -0.87 -0.59 0.31 5.56 2.20 -1.26 -5.07 119.74 120.02 1kkd s LYS 77 Ca 0.00 0.00 0.08 0.00 -0.36 0.00 0.00 55.97 55.69 1kkd s LYS 77 Cb 0.00 -1.66 -0.04 0.00 -1.51 0.00 0.00 37.83 34.62 1kkd s LYS 77 CO 0.00 -3.31 0.13 -0.48 -0.36 0.00 0.00 175.35 171.33 1kkd s LEU 78 N -6.68 3.35 0.00 5.43 2.34 -1.26 -4.97 118.68 116.89 1kkd s LEU 78 Ca 0.70 -0.65 0.00 0.00 0.06 0.00 0.00 54.13 54.24 1kkd s LEU 78 Cb -0.11 -1.85 0.00 0.00 -0.56 0.00 0.00 46.19 43.67 1kkd s LEU 78 CO 0.56 -0.19 0.00 -3.20 -1.06 0.00 0.00 176.35 172.45 1kkd n ASN 79 N -1.11 0.00 -4.56 1.48 5.15 -1.26 -5.05 115.26 109.91 1kkd n ASN 79 Ca -0.04 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.66 1kkd n ASN 79 Cb 0.60 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.80 1kkd n ASN 79 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1kkd s ASP 80 N -0.98 5.26 -0.30 1.20 1.47 -1.26 -4.78 116.67 117.29 1kkd s ASP 80 Ca 0.00 -0.79 -0.11 0.00 1.18 0.00 0.00 52.55 52.83 1kkd s ASP 80 Cb 0.00 -2.56 0.18 0.00 -0.34 0.00 0.00 42.92 40.19 1kkd s ASP 80 CO 0.00 -2.64 0.94 -1.10 0.68 0.00 0.00 175.17 173.05 1kkd s GLN 81 N 6.80 0.29 0.04 2.11 -1.52 -1.26 -5.17 119.66 120.96 1kkd s GLN 81 Ca 0.68 0.57 -0.27 0.00 -1.95 0.00 0.00 55.36 54.39 1kkd s GLN 81 Cb -0.06 0.32 0.09 0.00 -0.22 0.00 0.00 33.01 33.15 1kkd s GLN 81 CO -0.01 -0.26 1.21 0.00 -0.25 0.00 0.00 175.29 175.97 1kkd s ALA 82 N 2.82 -2.15 -0.08 6.09 0.00 -1.26 -5.19 121.76 121.98 1kkd s ALA 82 Ca 0.03 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 1kkd s ALA 82 Cb -0.10 0.74 0.11 0.00 0.00 0.00 0.00 23.12 23.87 1kkd s ALA 82 CO -0.15 -1.10 0.96 1.21 0.00 0.00 0.00 175.76 176.68 1kkd s ASN 83 N -3.49 -0.34 0.00 0.00 2.47 -1.26 -5.09 114.94 107.23 1kkd s ASN 83 Ca 0.23 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.64 1kkd s ASN 83 Cb 0.00 0.33 0.00 0.00 -1.45 0.00 0.00 41.25 40.13 1kkd s ASN 83 CO 0.00 -0.48 0.46 0.41 -3.72 0.00 0.00 177.10 173.77 1kkd n THR 84 N 0.08 0.00 0.00 -5.21 -1.04 -1.26 -4.86 114.28 101.99 1kkd n THR 84 Ca -0.08 0.96 0.00 0.00 -2.04 0.00 0.00 64.05 62.89 1kkd n THR 84 Cb 0.60 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 1kkd n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kkd n LEU 85 N -0.90 0.00 -2.67 -4.42 -0.00 -1.26 -5.02 117.00 102.73 1kkd n LEU 85 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1kkd n LEU 85 Cb 0.00 0.16 0.10 0.00 -0.00 0.00 0.00 43.42 43.68 1kkd n LEU 85 CO 0.00 -0.16 0.69 0.55 -0.00 0.00 0.00 177.39 178.47 1kkd n VAL 86 N -1.78 0.00 -3.14 1.47 3.14 -1.26 -5.05 118.33 111.72 1kkd n VAL 86 Ca 0.00 -0.73 -0.22 0.00 -2.96 0.00 0.00 64.34 60.43 1kkd n VAL 86 Cb 0.00 1.05 -0.04 0.00 -1.06 0.00 0.00 33.84 33.79 1kkd n VAL 86 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1kkd n ASP 87 N 0.34 2.04 0.29 6.55 2.03 -1.26 -4.88 116.55 121.65 1kkd n ASP 87 Ca -0.07 -3.20 0.15 0.00 0.52 0.00 0.00 54.79 52.19 1kkd n ASP 87 Cb 0.74 -0.61 0.90 0.00 -0.72 0.00 0.00 41.12 41.43 1kkd n ASP 87 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1kkd h LEU 88 N 3.22 0.00 0.42 -2.67 -0.00 -2.04 -2.53 115.31 111.71 1kkd h LEU 88 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1kkd h LEU 88 Cb 0.80 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.44 1kkd h LEU 88 CO 0.61 0.00 -0.43 0.00 -0.00 0.00 0.00 178.44 178.62 1kkd h ALA 89 N 1.98 -1.09 -0.46 0.17 0.00 -2.06 -3.49 119.26 114.31 1kkd h ALA 89 Ca 0.01 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1kkd h ALA 89 Cb 0.05 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1kkd h ALA 89 CO -0.00 -1.12 -0.08 1.17 0.00 0.00 0.00 179.25 179.22 1kkd n LYS 90 N -5.02 -0.42 -0.94 0.00 3.00 -0.96 -4.18 118.16 109.64 1kkd n LYS 90 Ca -0.10 0.28 -0.28 0.00 -0.00 0.00 0.00 58.31 58.21 1kkd n LYS 90 Cb 0.39 -0.51 -0.02 0.00 0.00 0.00 0.00 35.03 34.89 1kkd n LYS 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1kkd n THR 91 N -1.62 2.99 1.02 3.15 -2.24 -1.26 -5.18 114.28 111.14 1kkd n THR 91 Ca 0.00 -1.81 0.12 0.00 -2.27 0.00 0.00 64.05 60.09 1kkd n THR 91 Cb 0.09 -2.29 0.12 0.00 -2.10 0.00 0.00 70.33 66.16 1kkd n THR 91 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17