#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 0.26 -0.03 5.56 -2.85 -1.26 -5.09 119.74 116.33 1kkd s LYS 2 Ca 0.00 0.64 -0.03 0.00 -1.00 0.00 0.00 55.97 55.58 1kkd s LYS 2 Cb 0.00 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 36.14 1kkd s LYS 2 CO 0.00 -0.09 0.06 -0.11 0.10 0.00 0.00 175.35 175.31 1kkd n LEU 3 N 4.80 -6.02 -4.65 2.77 7.94 -1.26 -4.69 117.00 115.88 1kkd n LEU 3 Ca -0.10 2.57 -0.55 0.00 -1.11 0.00 0.00 56.01 56.83 1kkd n LEU 3 Cb 0.53 -3.11 -0.07 0.00 0.53 0.00 0.00 43.42 41.31 1kkd n LEU 3 CO -0.04 -3.13 1.45 -1.84 -1.11 0.00 0.00 177.39 172.73 1kkd n GLU 4 N 1.86 1.32 -3.34 1.96 0.00 -1.26 -4.89 120.64 116.29 1kkd n GLU 4 Ca -0.10 0.47 0.02 0.00 0.00 0.00 0.00 57.16 57.55 1kkd n GLU 4 Cb 0.16 -2.26 -0.04 0.00 0.00 0.00 0.00 31.44 29.30 1kkd n GLU 4 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1kkd s LEU 5 N 4.36 -0.30 -0.71 -1.84 2.96 -1.26 -5.04 118.68 116.84 1kkd s LEU 5 Ca 1.00 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 55.28 1kkd s LEU 5 Cb -0.97 1.35 0.10 0.00 0.50 0.00 0.00 46.19 47.16 1kkd s LEU 5 CO 0.60 -0.06 2.62 1.07 -1.32 0.00 0.00 176.35 179.26 1kkd n THR 6 N 4.54 3.91 -3.33 3.68 5.66 -1.26 -4.83 114.28 122.65 1kkd n THR 6 Ca -0.09 -3.48 -0.14 0.00 -3.05 0.00 0.00 64.05 57.29 1kkd n THR 6 Cb 0.55 -1.70 0.00 0.00 -1.55 0.00 0.00 70.33 67.63 1kkd n THR 6 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1kkd n LYS 7 N 1.01 -0.67 -0.37 1.09 5.02 -1.26 -4.70 118.16 118.27 1kkd n LYS 7 Ca 0.53 0.13 -0.04 0.00 -2.02 0.00 0.00 58.31 56.90 1kkd n LYS 7 Cb 0.45 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 1kkd n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kkd h ALA 8 N 1.58 -0.03 -5.81 7.82 0.00 -1.88 -3.43 119.26 117.51 1kkd h ALA 8 Ca -0.29 0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1kkd h ALA 8 Cb 0.61 1.08 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1kkd h ALA 8 CO 0.18 -0.71 -0.96 0.39 0.00 0.00 0.00 179.25 178.15 1kkd n GLU 9 N -5.42 -1.97 -3.39 0.00 1.02 -1.26 0.15 120.64 109.77 1kkd n GLU 9 Ca 0.08 1.78 -0.26 0.00 -0.02 0.00 0.00 57.16 58.73 1kkd n GLU 9 Cb 0.37 -3.39 -0.05 0.00 -0.02 0.00 0.00 31.44 28.34 1kkd n GLU 9 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1kkd n LYS 10 N 0.61 -0.82 -3.12 3.49 5.02 -1.26 0.19 118.16 122.27 1kkd n LYS 10 Ca 0.00 0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 1kkd n LYS 10 Cb 0.35 -2.90 0.05 0.00 -0.02 0.00 0.00 35.03 32.51 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 -2.72 -2.45 -3.66 2.13 8.25 -0.79 -5.03 115.22 110.96 1kkd n HIS 11 Ca 0.07 0.87 -0.09 0.00 -0.26 0.00 0.00 57.72 58.31 1kkd n HIS 11 Cb 0.28 -4.03 -0.10 0.00 1.12 0.00 0.00 29.99 27.27 1kkd n HIS 11 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kkd s VAL 12 N -3.29 -0.63 0.00 1.59 1.01 0.51 -5.08 120.40 114.52 1kkd s VAL 12 Ca 0.34 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1kkd s VAL 12 Cb -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1kkd s VAL 12 CO 0.70 0.07 0.00 1.57 0.00 0.00 0.00 175.10 177.44 1kkd n HIS 13 N 5.36 0.00 0.00 5.22 -0.00 -1.26 -4.26 115.22 120.28 1kkd n HIS 13 Ca -0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.09 1kkd n HIS 13 Cb 0.50 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 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 -1.78 0.00 0.00 0.26 4.13 -1.26 -5.05 115.26 111.56 1kkd n ASN 14 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1kkd n ASN 14 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1kkd n ASN 14 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1kkd n PHE 15 N 0.00 0.00 -2.39 3.10 7.35 -1.26 -5.00 117.46 119.26 1kkd n PHE 15 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 1kkd n PHE 15 Cb 0.00 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.85 1kkd n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1kkd n MET 16 N 0.00 4.83 0.00 -4.13 0.00 -1.26 -4.65 117.12 111.91 1kkd n MET 16 Ca 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 57.70 53.48 1kkd n MET 16 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 33.22 30.76 1kkd n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kkd n MET 17 N 0.21 0.00 0.00 3.17 0.00 -1.26 -5.14 117.12 114.10 1kkd n MET 17 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.21 1kkd n MET 17 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.48 1kkd n MET 17 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1kkd n ASP 18 N 0.00 0.00 -2.78 3.17 5.68 -1.26 -4.98 116.55 116.37 1kkd n ASP 18 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 1kkd n ASP 18 Cb 0.00 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.04 1kkd n ASP 18 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1kkd n THR 19 N 0.00 0.98 0.00 2.12 5.66 -1.26 -4.96 114.28 116.82 1kkd n THR 19 Ca 0.00 -2.59 0.00 0.00 -3.05 0.00 0.00 64.05 58.41 1kkd n THR 19 Cb 0.00 1.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 1kkd n THR 19 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1kkd n GLN 20 N -0.66 0.00 0.07 1.09 7.27 -1.26 -5.02 117.38 118.86 1kkd n GLN 20 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1kkd n GLN 20 Cb 0.82 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.47 1kkd n GLN 20 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1kkd n LEU 21 N 0.00 -1.22 -2.93 1.69 -0.00 -1.26 -5.11 117.00 108.17 1kkd n LEU 21 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 56.01 56.27 1kkd n LEU 21 Cb 0.00 1.48 0.00 0.00 -0.00 0.00 0.00 43.42 44.90 1kkd n LEU 21 CO 0.00 -0.26 -0.42 0.41 -0.00 0.00 0.00 177.39 177.12 1kkd n THR 22 N -2.77 -1.76 -0.72 1.47 -1.04 -1.26 -4.84 114.28 103.37 1kkd n THR 22 Ca 0.00 0.42 -0.31 0.00 -2.04 0.00 0.00 64.05 62.12 1kkd n THR 22 Cb 0.00 -2.69 0.16 0.00 -1.82 0.00 0.00 70.33 65.98 1kkd n THR 22 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1kkd s LYS 23 N -0.85 1.05 0.18 -2.82 -2.85 -1.26 -5.04 119.74 108.15 1kkd s LYS 23 Ca 0.00 1.57 0.08 0.00 -1.00 0.00 0.00 55.97 56.63 1kkd s LYS 23 Cb 0.00 -1.73 -0.04 0.00 -2.06 0.00 0.00 37.83 34.00 1kkd s LYS 23 CO 0.00 -2.62 -0.17 -0.98 0.10 0.00 0.00 175.35 171.68 1kkd s ARG 24 N -4.61 1.30 -0.86 1.78 3.03 -1.26 -4.73 118.95 113.61 1kkd s ARG 24 Ca 0.67 -1.47 -0.03 0.00 2.03 0.00 0.00 55.73 56.93 1kkd s ARG 24 Cb -0.23 -1.29 0.00 0.00 -1.03 0.00 0.00 34.95 32.40 1kkd s ARG 24 CO 0.57 0.25 0.61 0.28 -1.13 0.00 0.00 175.30 175.88 1kkd n VAL 25 N 0.07 -3.46 -4.42 4.99 0.31 -1.26 0.74 118.33 115.29 1kkd n VAL 25 Ca -0.11 -0.08 -0.37 0.00 -0.01 0.00 0.00 64.34 63.77 1kkd n VAL 25 Cb 0.58 -2.98 -0.09 0.00 -0.91 0.00 0.00 33.84 30.44 1kkd n VAL 25 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1kkd n LYS 26 N -2.84 -0.97 -3.45 5.55 3.00 -1.26 0.19 118.16 118.38 1kkd n LYS 26 Ca -0.30 0.13 -0.17 0.00 -0.00 0.00 0.00 58.31 57.97 1kkd n LYS 26 Cb 0.68 -4.22 0.09 0.00 0.00 0.00 0.00 35.03 31.58 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 -2.67 -2.09 0.00 3.14 5.15 0.23 -0.65 115.26 118.36 1kkd n ASN 27 Ca -0.10 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 1kkd n ASN 27 Cb 0.57 -5.06 0.00 0.00 -0.53 0.00 0.00 39.78 34.76 1kkd n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kkd n ALA 28 N -4.16 0.00 -1.68 5.20 0.00 0.46 -2.75 120.51 117.58 1kkd n ALA 28 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1kkd n ALA 28 Cb 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.71 0.00 -1.48 0.00 0.00 0.49 -4.90 120.51 115.33 1kkd n ALA 29 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1kkd n ALA 29 Cb 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.28 0.44 -1.83 0.00 0.00 -1.04 0.15 120.51 116.95 1kkd n ALA 30 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 1kkd n ALA 30 Cb 0.39 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 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 11.34 -3.10 -2.08 0.00 3.02 -1.26 -0.95 115.26 122.23 1kkd n ASN 31 Ca 0.57 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 55.37 1kkd n ASN 31 Cb 0.15 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.49 1kkd n ASN 31 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1kkd n VAL 32 N -2.42 0.00 0.00 2.41 3.14 0.40 0.32 118.33 122.18 1kkd n VAL 32 Ca -0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1kkd n VAL 32 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 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 -2.05 0.00 0.02 6.55 7.94 -0.12 -3.35 117.00 125.99 1kkd n LEU 33 Ca 0.00 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 1kkd n LEU 33 Cb 0.38 0.00 0.43 0.00 0.53 0.00 0.00 43.42 44.76 1kkd n LEU 33 CO 0.00 0.00 0.82 -1.14 -1.11 0.00 0.00 177.39 175.96 1kkd n ARG 34 N 0.00 0.04 -3.95 1.96 3.00 -1.15 -4.90 116.66 111.66 1kkd n ARG 34 Ca 0.00 0.20 -0.36 0.00 -0.00 0.00 0.00 57.85 57.69 1kkd n ARG 34 Cb 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 32.46 30.90 1kkd n ARG 34 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1kkd n GLU 35 N -1.65 -1.25 0.31 -0.14 0.28 0.97 -4.74 120.64 114.42 1kkd n GLU 35 Ca 0.04 0.27 0.18 0.00 -0.16 0.00 0.00 57.16 57.49 1kkd n GLU 35 Cb 0.24 -3.58 1.01 0.00 1.43 0.00 0.00 31.44 30.54 1kkd n GLU 35 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1kkd h THR 36 N -2.14 0.30 -0.67 3.84 1.35 -1.85 0.80 112.91 114.55 1kkd h THR 36 Ca -0.68 -0.09 -0.37 0.00 -0.55 0.00 0.00 66.41 64.72 1kkd h THR 36 Cb 1.38 1.07 -0.20 0.00 -1.73 0.00 0.00 68.15 68.67 1kkd h THR 36 CO 0.55 0.01 0.48 -2.67 -0.25 0.00 0.00 175.52 173.64 1kkd n TRP 37 N -3.48 2.09 0.00 4.73 2.14 -1.26 -3.20 117.44 118.45 1kkd n TRP 37 Ca -0.03 -1.64 0.00 0.00 2.07 0.00 0.00 57.50 57.91 1kkd n TRP 37 Cb 0.11 -0.82 0.00 0.00 -0.81 0.00 0.00 31.31 29.78 1kkd n TRP 37 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1kkd n LEU 38 N -0.49 0.00 0.19 5.67 7.99 0.22 -4.83 117.00 125.76 1kkd n LEU 38 Ca 0.41 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.46 1kkd n LEU 38 Cb 1.12 0.01 0.35 0.00 -0.11 0.00 0.00 43.42 44.80 1kkd n LEU 38 CO 0.44 -0.33 0.69 0.16 -1.51 0.00 0.00 177.39 176.83 1kkd h ILE 39 N 0.00 0.97 -3.13 -0.08 3.07 -1.54 -3.45 117.51 113.35 1kkd h ILE 39 Ca 0.00 -1.48 -0.48 0.00 1.55 0.00 0.00 64.86 64.45 1kkd h ILE 39 Cb 0.00 1.88 0.22 0.00 -0.27 0.00 0.00 36.82 38.65 1kkd h ILE 39 CO 0.00 0.37 -0.49 0.00 -1.05 0.00 0.00 178.15 176.98 1kkd n TYR 40 N -3.64 -1.05 -3.10 0.16 4.11 -1.20 -5.04 117.16 107.40 1kkd n TYR 40 Ca -0.01 0.13 0.00 0.00 -0.00 0.00 0.00 57.90 58.03 1kkd n TYR 40 Cb 0.49 -1.72 0.00 0.00 -0.00 0.00 0.00 39.34 38.10 1kkd n TYR 40 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1kkd n LYS 41 N -2.99 2.91 0.00 -3.48 0.00 -1.26 -5.06 118.16 108.28 1kkd n LYS 41 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1kkd n LYS 41 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.59 1kkd n LYS 41 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1kkd n ASN 42 N -0.63 0.00 -4.90 -5.58 2.85 -1.26 -5.10 115.26 100.63 1kkd n ASN 42 Ca 0.00 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.16 1kkd n ASN 42 Cb 0.00 0.01 -0.04 0.00 1.24 0.00 0.00 39.78 40.99 1kkd n ASN 42 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1kkd s THR 43 N -1.76 5.21 -0.28 -0.44 -4.23 -1.26 -5.08 115.64 107.80 1kkd s THR 43 Ca 0.00 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.43 1kkd s THR 43 Cb 0.00 -3.64 0.16 0.00 1.34 0.00 0.00 72.50 70.37 1kkd s THR 43 CO 0.00 0.03 0.46 -0.54 -0.54 0.00 0.00 174.62 174.04 1kkd s LYS 44 N -2.70 0.45 -0.56 3.99 1.02 -1.26 -5.05 119.74 115.63 1kkd s LYS 44 Ca 0.40 0.45 0.06 0.00 0.02 0.00 0.00 55.97 56.89 1kkd s LYS 44 Cb -0.12 -0.12 0.34 0.00 -0.52 0.00 0.00 37.83 37.41 1kkd s LYS 44 CO 0.26 -0.87 0.92 1.47 -0.92 0.00 0.00 175.35 176.21 1kkd n LEU 45 N 5.38 4.09 -3.01 3.17 -0.00 -1.26 -4.91 117.00 120.46 1kkd n LEU 45 Ca 0.00 -5.61 0.03 0.00 -0.00 0.00 0.00 56.01 50.43 1kkd n LEU 45 Cb 0.51 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1kkd n LEU 45 CO 0.00 2.34 0.37 0.54 -0.00 0.00 0.00 177.39 180.64 1kkd s VAL 46 N -4.19 -0.47 -0.81 1.47 0.11 -1.26 -5.00 120.40 110.24 1kkd s VAL 46 Ca 0.48 0.00 0.22 0.00 -2.93 0.00 0.00 61.98 59.75 1kkd s VAL 46 Cb 0.28 -0.20 -0.20 0.00 -1.53 0.00 0.00 36.38 34.74 1kkd s VAL 46 CO -0.13 0.00 0.93 2.29 -3.33 0.00 0.00 175.10 174.86 1kkd n LYS 47 N 4.46 0.13 -2.12 1.54 0.00 -1.26 -4.78 118.16 116.14 1kkd n LYS 47 Ca 0.08 -0.03 -0.29 0.00 -0.00 0.00 0.00 58.31 58.07 1kkd n LYS 47 Cb 0.59 -1.52 -0.05 0.00 -0.00 0.00 0.00 35.03 34.06 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 -3.10 2.69 1.01 -1.58 0.00 -1.26 -4.94 119.74 112.56 1kkd s LYS 48 Ca 0.06 -0.51 -0.19 0.00 0.00 0.00 0.00 55.97 55.33 1kkd s LYS 48 Cb 0.16 -5.12 -0.08 0.00 0.00 0.00 0.00 37.83 32.78 1kkd s LYS 48 CO 0.84 -3.29 -0.64 -0.89 0.00 0.00 0.00 175.35 171.37 1kkd n ILE 49 N 7.73 0.00 -0.12 3.79 2.08 -1.26 -4.94 119.36 126.64 1kkd n ILE 49 Ca 0.40 -0.27 -0.20 0.00 0.56 0.00 0.00 62.75 63.24 1kkd n ILE 49 Cb 0.47 -0.22 -0.11 0.00 -0.75 0.00 0.00 39.64 39.03 1kkd n ILE 49 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1kkd n ASP 50 N 1.68 2.04 -4.17 4.38 9.92 -1.26 -5.00 116.55 124.13 1kkd n ASP 50 Ca 0.00 -0.01 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 1kkd n ASP 50 Cb 0.62 -0.49 -0.03 0.00 -0.64 0.00 0.00 41.12 40.59 1kkd n ASP 50 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1kkd n HIS 51 N -3.47 -1.34 -2.53 1.24 -0.00 -1.26 -3.33 115.22 104.53 1kkd n HIS 51 Ca -0.45 0.28 -0.02 0.00 0.46 0.00 0.00 57.72 57.99 1kkd n HIS 51 Cb 0.93 -2.81 -0.02 0.00 -0.12 0.00 0.00 29.99 27.98 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1kkd n ALA 52 N -4.88 -3.51 -1.03 1.57 0.00 -1.26 -5.03 120.51 106.37 1kkd n ALA 52 Ca -0.20 1.06 0.00 0.00 0.00 0.00 0.00 53.44 54.30 1kkd n ALA 52 Cb 0.62 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1kkd n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1kkd n LYS 53 N 0.93 0.00 -1.24 0.00 3.00 -1.21 -4.42 118.16 115.22 1kkd n LYS 53 Ca -0.14 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 57.94 1kkd n LYS 53 Cb 0.21 -0.32 -0.10 0.00 0.00 0.00 0.00 35.03 34.82 1kkd n LYS 53 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1kkd n VAL 54 N -0.73 3.57 -3.33 3.15 0.24 -1.26 -4.52 118.33 115.44 1kkd n VAL 54 Ca 0.00 -2.24 -0.26 0.00 -2.04 0.00 0.00 64.34 59.80 1kkd n VAL 54 Cb 0.00 -2.10 -0.09 0.00 -1.47 0.00 0.00 33.84 30.18 1kkd n VAL 54 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1kkd n ARG 55 N 2.45 0.29 -1.55 7.34 1.74 -1.26 -5.13 116.66 120.54 1kkd n ARG 55 Ca 0.55 -3.14 -0.30 0.00 -0.77 0.00 0.00 57.85 54.19 1kkd n ARG 55 Cb 0.63 -1.58 0.20 0.00 -1.02 0.00 0.00 32.46 30.69 1kkd n ARG 55 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1kkd s LYS 56 N -0.13 -0.08 -0.39 5.56 -0.14 -1.26 -4.98 119.74 118.32 1kkd s LYS 56 Ca 0.33 -0.21 0.11 0.00 -1.36 0.00 0.00 55.97 54.85 1kkd s LYS 56 Cb 0.06 -1.74 0.35 0.00 -1.68 0.00 0.00 37.83 34.82 1kkd s LYS 56 CO -0.18 -2.93 0.75 -2.39 -0.76 0.00 0.00 175.35 169.84 1kkd n HIS 57 N -4.18 0.60 -3.74 3.18 1.44 -1.26 -5.09 115.22 106.18 1kkd n HIS 57 Ca 0.14 -3.84 0.00 0.00 -2.01 0.00 0.00 57.72 52.01 1kkd n HIS 57 Cb 0.59 -0.43 -0.00 0.00 0.12 0.00 0.00 29.99 30.28 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 -2.53 0.66 -0.10 -1.40 -2.07 -1.26 -5.16 119.66 107.80 1kkd s GLN 58 Ca 0.41 -0.39 -0.04 0.00 -1.82 0.00 0.00 55.36 53.52 1kkd s GLN 58 Cb 0.34 0.21 0.05 0.00 -1.09 0.00 0.00 33.01 32.52 1kkd s GLN 58 CO -0.09 -0.30 0.20 -0.98 -1.32 0.00 0.00 175.29 172.80 1kkd s ARG 59 N -2.49 0.09 0.05 9.60 1.70 -1.26 -5.13 118.95 121.50 1kkd s ARG 59 Ca 0.17 0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 55.77 1kkd s ARG 59 Cb 0.02 -0.17 -0.05 0.00 -0.57 0.00 0.00 34.95 34.18 1kkd s ARG 59 CO -0.01 -0.29 1.09 0.15 -1.08 0.00 0.00 175.30 175.16 1kkd s LYS 60 N 2.29 4.51 -0.30 3.89 3.01 -1.26 -4.99 119.74 126.89 1kkd s LYS 60 Ca 0.02 1.61 -0.13 0.00 -1.01 0.00 0.00 55.97 56.45 1kkd s LYS 60 Cb -0.12 -3.39 0.18 0.00 -1.01 0.00 0.00 37.83 33.49 1kkd s LYS 60 CO -0.07 -0.13 1.06 0.12 0.51 0.00 0.00 175.35 176.84 1kkd s PHE 61 N 0.90 -0.50 -0.10 3.18 2.19 -1.26 -5.05 117.98 117.34 1kkd s PHE 61 Ca 0.55 0.55 -0.02 0.00 0.33 0.00 0.00 56.93 58.34 1kkd s PHE 61 Cb -0.26 0.18 -0.05 0.00 -1.31 0.00 0.00 43.02 41.58 1kkd s PHE 61 CO 0.29 -0.27 -0.10 1.47 1.83 0.00 0.00 175.22 178.43 1kkd n LEU 62 N 5.46 2.06 0.00 6.12 -0.00 -1.26 -5.02 117.00 124.35 1kkd n LEU 62 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1kkd n LEU 62 Cb 0.54 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 1kkd n LEU 62 CO -0.11 0.48 0.00 0.00 -0.00 0.00 0.00 177.39 177.76 1kkd n GLN 63 N -3.05 0.00 -1.22 1.47 6.02 -1.26 -5.14 117.38 114.19 1kkd n GLN 63 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 1kkd n GLN 63 Cb 0.66 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.92 1kkd n GLN 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kkd n ALA 64 N -1.13 -2.48 -2.02 -1.58 0.00 -1.26 -5.12 120.51 106.92 1kkd n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kkd n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1kkd n ALA 64 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1kkd n ILE 65 N 0.19 0.00 -2.58 0.00 5.41 -1.26 -5.04 119.36 116.08 1kkd n ILE 65 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 1kkd n ILE 65 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 38.95 1kkd n ILE 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1kkd n HIS 66 N 0.00 1.99 -0.91 1.39 -0.00 -1.26 -5.11 115.22 111.32 1kkd n HIS 66 Ca 0.00 -2.78 0.11 0.00 0.46 0.00 0.00 57.72 55.52 1kkd n HIS 66 Cb 0.00 -0.27 -0.03 0.00 -0.12 0.00 0.00 29.99 29.57 1kkd n HIS 66 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1kkd n GLN 67 N -0.30 -1.75 -1.76 1.57 3.00 -1.26 -3.69 117.38 113.19 1kkd n GLN 67 Ca 0.21 1.20 -0.40 0.00 -0.01 0.00 0.00 57.00 57.99 1kkd n GLN 67 Cb 0.78 -2.17 -0.01 0.00 0.00 0.00 0.00 30.24 28.83 1kkd n GLN 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1kkd n LEU 68 N -2.87 7.97 0.00 1.08 4.77 -1.26 -4.81 117.00 121.89 1kkd n LEU 68 Ca -0.00 -4.57 0.00 0.00 -0.03 0.00 0.00 56.01 51.41 1kkd n LEU 68 Cb 0.60 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1kkd n LEU 68 CO 0.01 1.85 0.00 -2.11 -1.33 0.00 0.00 177.39 175.81 1kkd n ARG 69 N 3.26 0.00 -2.76 3.23 1.85 -1.24 -5.01 116.66 115.99 1kkd n ARG 69 Ca 0.64 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 57.46 1kkd n ARG 69 Cb 0.27 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 31.75 1kkd n ARG 69 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1kkd n SER 70 N 0.00 0.68 -0.98 2.89 2.88 -1.26 -4.86 113.62 112.97 1kkd n SER 70 Ca 0.00 -2.22 -0.13 0.00 -1.33 0.00 0.00 58.87 55.19 1kkd n SER 70 Cb 0.00 -0.15 -0.05 0.00 -0.75 0.00 0.00 64.21 63.26 1kkd n SER 70 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1kkd n VAL 71 N -0.69 0.00 -2.72 2.46 0.31 -1.26 -4.75 118.33 111.68 1kkd n VAL 71 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.27 1kkd n VAL 71 Cb 0.82 -1.59 0.08 0.00 -0.91 0.00 0.00 33.84 32.25 1kkd n VAL 71 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1kkd n LYS 72 N -1.16 0.69 -0.87 5.55 5.02 -1.26 -5.03 118.16 121.10 1kkd n LYS 72 Ca -0.13 -1.51 -0.25 0.00 -2.02 0.00 0.00 58.31 54.40 1kkd n LYS 72 Cb 0.60 -0.89 -0.02 0.00 -0.02 0.00 0.00 35.03 34.70 1kkd n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kkd n MET 73 N 0.87 2.44 0.00 1.97 0.00 -1.26 -3.04 117.12 118.10 1kkd n MET 73 Ca 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 57.70 56.14 1kkd n MET 73 Cb 0.69 -2.51 0.00 0.00 0.00 0.00 0.00 33.22 31.40 1kkd n MET 73 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1kkd n GLU 74 N 4.02 0.00 -3.58 3.17 0.28 -1.26 -5.10 120.64 118.16 1kkd n GLU 74 Ca 0.52 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 57.14 1kkd n GLU 74 Cb 0.17 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.93 1kkd n GLU 74 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1kkd s GLN 75 N 0.00 3.86 0.07 3.44 0.74 -1.17 -5.07 119.66 121.53 1kkd s GLN 75 Ca 0.00 -0.38 -0.14 0.00 0.05 0.00 0.00 55.36 54.89 1kkd s GLN 75 Cb 0.00 -3.68 -0.06 0.00 1.10 0.00 0.00 33.01 30.37 1kkd s GLN 75 CO 0.00 -0.23 0.47 -0.98 -0.55 0.00 0.00 175.29 174.00 1kkd s ARG 76 N 1.75 3.93 -0.16 1.67 1.70 -1.26 -5.07 118.95 121.51 1kkd s ARG 76 Ca 0.07 0.42 -0.30 0.00 -0.47 0.00 0.00 55.73 55.44 1kkd s ARG 76 Cb -0.16 -3.08 0.13 0.00 -0.57 0.00 0.00 34.95 31.26 1kkd s ARG 76 CO 0.11 0.59 0.99 -1.59 -1.08 0.00 0.00 175.30 174.31 1kkd s LYS 77 N -1.56 0.60 0.00 3.89 -2.85 -1.26 -4.97 119.74 113.59 1kkd s LYS 77 Ca 0.31 0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.44 1kkd s LYS 77 Cb -0.16 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1kkd s LYS 77 CO 0.17 -0.19 0.00 1.47 0.10 0.00 0.00 175.35 176.90 1kkd n LEU 78 N 0.78 0.00 -2.22 2.77 -0.00 -1.26 -4.92 117.00 112.15 1kkd n LEU 78 Ca -0.11 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.71 1kkd n LEU 78 Cb 0.58 0.27 -0.09 0.00 -0.00 0.00 0.00 43.42 44.18 1kkd n LEU 78 CO 0.16 -0.34 1.54 0.59 -0.00 0.00 0.00 177.39 179.34 1kkd n ASN 79 N -2.18 5.96 0.00 1.45 3.02 -1.26 -4.83 115.26 117.42 1kkd n ASN 79 Ca 0.00 -2.89 0.00 0.00 -0.03 0.00 0.00 54.58 51.66 1kkd n ASN 79 Cb 0.00 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.88 1kkd n ASN 79 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1kkd n ASP 80 N 1.48 0.00 -3.55 6.41 2.03 -1.26 -4.61 116.55 117.06 1kkd n ASP 80 Ca 0.43 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.62 1kkd n ASP 80 Cb 0.69 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.04 1kkd n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kkd s GLN 81 N 0.00 0.77 0.28 -0.67 -2.07 -1.26 -5.00 119.66 111.71 1kkd s GLN 81 Ca 0.00 0.09 0.00 0.00 -1.82 0.00 0.00 55.36 53.63 1kkd s GLN 81 Cb 0.00 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 32.28 1kkd s GLN 81 CO 0.00 -0.26 0.00 0.00 -1.32 0.00 0.00 175.29 173.71 1kkd n ALA 82 N 0.60 -3.32 -1.33 2.60 0.00 -1.26 -4.82 120.51 112.98 1kkd n ALA 82 Ca -0.12 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1kkd n ALA 82 Cb 0.58 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1kkd n ALA 82 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kkd n ASN 83 N -4.33 0.00 -3.25 0.00 4.13 -1.26 -4.65 115.26 105.89 1kkd n ASN 83 Ca 0.01 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.16 1kkd n ASN 83 Cb 0.51 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.76 1kkd n ASN 83 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1kkd n THR 84 N -0.11 -3.04 0.27 3.41 -2.24 -1.26 -4.91 114.28 106.41 1kkd n THR 84 Ca 0.00 0.45 0.03 0.00 -2.27 0.00 0.00 64.05 62.26 1kkd n THR 84 Cb 0.00 -3.36 -0.04 0.00 -2.10 0.00 0.00 70.33 64.83 1kkd n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkd n LEU 85 N 0.85 0.27 -2.94 3.22 -0.00 -1.26 -4.80 117.00 112.33 1kkd n LEU 85 Ca -0.02 -0.46 -0.12 0.00 -0.00 0.00 0.00 56.01 55.41 1kkd n LEU 85 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.94 1kkd n LEU 85 CO 0.18 0.07 -0.00 0.55 -0.00 0.00 0.00 177.39 178.18 1kkd n VAL 86 N -1.20 -0.35 0.00 1.47 3.14 -1.26 -4.99 118.33 115.15 1kkd n VAL 86 Ca 0.01 -2.01 0.00 0.00 -2.96 0.00 0.00 64.34 59.38 1kkd n VAL 86 Cb 0.10 0.20 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 1kkd n VAL 86 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1kkd n ASP 87 N 2.41 0.00 0.18 6.55 5.75 -1.26 -5.01 116.55 125.16 1kkd n ASP 87 Ca 0.19 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 55.00 1kkd n ASP 87 Cb 0.56 0.00 0.41 0.00 -1.03 0.00 0.00 41.12 41.06 1kkd n ASP 87 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 1kkd h LEU 88 N 0.00 0.07 -5.03 -2.12 -0.00 -1.95 -3.40 115.31 102.87 1kkd h LEU 88 Ca 0.00 -0.02 0.07 0.00 -0.00 0.00 0.00 57.88 57.94 1kkd h LEU 88 Cb 0.00 -0.02 -0.16 0.00 -0.00 0.00 0.00 40.66 40.48 1kkd h LEU 88 CO 0.00 0.32 -0.08 0.00 -0.00 0.00 0.00 178.44 178.68 1kkd s ALA 89 N -4.48 -4.76 0.03 0.17 0.00 -1.26 -5.15 121.76 106.31 1kkd s ALA 89 Ca -0.04 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1kkd s ALA 89 Cb 0.15 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1kkd s ALA 89 CO 0.72 -2.55 0.00 1.63 0.00 0.00 0.00 175.76 175.56 1kkd n LYS 90 N 2.89 -0.23 -2.65 0.00 4.76 -1.26 -4.32 118.16 117.34 1kkd n LYS 90 Ca 0.09 0.15 -0.29 0.00 -2.87 0.00 0.00 58.31 55.39 1kkd n LYS 90 Cb 0.65 -0.28 -0.01 0.00 -1.84 0.00 0.00 35.03 33.55 1kkd n LYS 90 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1kkd n THR 91 N -1.59 3.16 -0.33 -0.18 5.66 -1.26 -4.77 114.28 114.96 1kkd n THR 91 Ca 0.00 -5.28 0.00 0.00 -3.05 0.00 0.00 64.05 55.72 1kkd n THR 91 Cb 0.05 -1.35 0.00 0.00 -1.55 0.00 0.00 70.33 67.48 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02