#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkd n LYS 2 N 0.00 0.35 -3.61 -0.14 4.81 -1.26 -5.15 118.16 113.16 1kkd n LYS 2 Ca 0.00 -1.35 -0.02 0.00 -0.87 0.00 0.00 58.31 56.07 1kkd n LYS 2 Cb 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 35.03 34.34 1kkd n LYS 2 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1kkd s LEU 3 N 0.60 -0.10 0.58 3.14 2.96 -1.26 -5.15 118.68 119.45 1kkd s LEU 3 Ca 0.27 -0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 53.94 1kkd s LEU 3 Cb 0.10 1.39 -0.09 0.00 0.50 0.00 0.00 46.19 48.10 1kkd s LEU 3 CO -0.10 -0.27 0.45 -1.84 -1.32 0.00 0.00 176.35 173.27 1kkd n GLU 4 N -0.27 0.44 -2.71 1.98 0.00 -1.26 -4.97 120.64 113.84 1kkd n GLU 4 Ca -0.04 0.17 -0.05 0.00 0.00 0.00 0.00 57.16 57.25 1kkd n GLU 4 Cb 0.60 -1.64 0.04 0.00 0.00 0.00 0.00 31.44 30.45 1kkd n GLU 4 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1kkd n LEU 5 N 0.63 -2.28 -3.81 -1.84 7.94 -1.26 -5.07 117.00 111.32 1kkd n LEU 5 Ca 0.11 -2.27 -0.35 0.00 -1.11 0.00 0.00 56.01 52.38 1kkd n LEU 5 Cb 0.48 0.68 -0.04 0.00 0.53 0.00 0.00 43.42 45.07 1kkd n LEU 5 CO 0.51 1.68 0.55 0.35 -1.11 0.00 0.00 177.39 179.37 1kkd n THR 6 N 2.13 3.67 0.30 1.96 -2.24 -1.26 -4.82 114.28 114.02 1kkd n THR 6 Ca 0.10 -5.47 0.18 0.00 -2.27 0.00 0.00 64.05 56.58 1kkd n THR 6 Cb 0.64 -2.16 0.90 0.00 -2.10 0.00 0.00 70.33 67.61 1kkd n THR 6 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1kkd h LYS 7 N 5.09 0.00 0.00 -0.78 5.09 -2.04 -3.17 116.57 120.75 1kkd h LYS 7 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.93 1kkd h LYS 7 Cb 0.68 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.01 1kkd h LYS 7 CO 1.03 0.00 -0.20 0.00 -2.09 0.00 0.00 179.45 178.20 1kkd n ALA 8 N -1.99 0.17 -2.82 0.07 0.00 -1.26 -4.89 120.51 109.79 1kkd n ALA 8 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.13 1kkd n ALA 8 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1kkd n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kkd n GLU 9 N -3.02 -1.62 -3.79 0.00 -0.58 -1.20 -1.78 120.64 108.64 1kkd n GLU 9 Ca -0.03 1.65 -0.24 0.00 -0.42 0.00 0.00 57.16 58.12 1kkd n GLU 9 Cb 0.10 -5.31 0.01 0.00 -0.57 0.00 0.00 31.44 25.67 1kkd n GLU 9 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1kkd n LYS 10 N -1.08 -0.63 -3.11 3.49 5.02 -1.26 -1.06 118.16 119.53 1kkd n LYS 10 Ca 0.05 -0.07 -0.08 0.00 -2.02 0.00 0.00 58.31 56.19 1kkd n LYS 10 Cb 0.46 -1.02 0.01 0.00 -0.02 0.00 0.00 35.03 34.46 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 -2.96 -1.73 -2.25 2.13 8.25 -1.23 -3.76 115.22 113.67 1kkd n HIS 11 Ca -0.09 0.74 -0.07 0.00 -0.26 0.00 0.00 57.72 58.05 1kkd n HIS 11 Cb 0.33 -2.11 0.01 0.00 1.12 0.00 0.00 29.99 29.34 1kkd n HIS 11 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1kkd n VAL 12 N 0.76 -1.52 -1.32 1.59 0.24 -0.74 -4.65 118.33 112.69 1kkd n VAL 12 Ca -0.01 0.23 -0.32 0.00 -2.04 0.00 0.00 64.34 62.21 1kkd n VAL 12 Cb 0.41 -1.91 -0.06 0.00 -1.47 0.00 0.00 33.84 30.81 1kkd n VAL 12 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1kkd n HIS 13 N 0.69 1.80 0.00 6.34 -0.00 -0.22 -4.14 115.22 119.69 1kkd n HIS 13 Ca -0.01 -2.61 0.00 0.00 -0.00 0.00 0.00 57.72 55.09 1kkd n HIS 13 Cb 0.34 -2.14 0.00 0.00 -0.00 0.00 0.00 29.99 28.18 1kkd n HIS 13 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1kkd n ASN 14 N 2.96 0.00 -3.95 0.26 4.13 -1.26 -5.09 115.26 112.30 1kkd n ASN 14 Ca 0.67 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.79 1kkd n ASN 14 Cb 0.42 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.53 1kkd n ASN 14 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1kkd s PHE 15 N 0.00 0.32 -1.37 3.10 5.36 -1.26 -4.88 117.98 119.26 1kkd s PHE 15 Ca 0.00 -0.19 -0.17 0.00 -0.96 0.00 0.00 56.93 55.61 1kkd s PHE 15 Cb 0.00 -0.21 0.02 0.00 -0.34 0.00 0.00 43.02 42.49 1kkd s PHE 15 CO 0.00 -0.04 0.38 -1.33 -1.46 0.00 0.00 175.22 172.76 1kkd n MET 16 N 2.56 -0.82 0.07 10.12 2.81 -1.26 -4.84 117.12 125.77 1kkd n MET 16 Ca -0.16 0.12 -0.10 0.00 -1.81 0.00 0.00 57.70 55.75 1kkd n MET 16 Cb 0.58 -3.20 -0.01 0.00 -0.71 0.00 0.00 33.22 29.88 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 -2.19 0.32 -4.38 0.03 2.86 -1.97 -3.50 114.93 106.10 1kkd h MET 17 Ca -0.68 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 56.64 1kkd h MET 17 Cb 1.40 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.14 1kkd h MET 17 CO 0.61 1.00 -0.96 -3.47 1.06 0.00 0.00 176.91 175.15 1kkd n ASP 18 N -3.74 -9.01 -4.04 1.22 -0.08 -1.26 -4.45 116.55 95.20 1kkd n ASP 18 Ca -0.05 1.42 -0.39 0.00 -1.51 0.00 0.00 54.79 54.26 1kkd n ASP 18 Cb 0.79 -5.07 0.01 0.00 2.34 0.00 0.00 41.12 39.18 1kkd n ASP 18 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1kkd n THR 19 N 1.90 -2.11 0.00 5.18 -1.04 -1.26 -4.48 114.28 112.47 1kkd n THR 19 Ca 0.00 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1kkd n THR 19 Cb 0.00 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 1kkd n THR 19 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1kkd n GLN 20 N -4.40 0.00 -0.33 -2.82 7.27 -1.25 -5.00 117.38 110.85 1kkd n GLN 20 Ca -0.10 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.88 1kkd n GLN 20 Cb 0.47 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.04 1kkd n GLN 20 CO 0.00 0.00 0.00 1.37 0.07 0.00 0.00 177.06 178.50 1kkd h LEU 21 N 0.00 -1.73 -7.20 1.69 8.10 -1.83 -3.37 115.31 110.97 1kkd h LEU 21 Ca 0.00 0.26 -0.45 0.00 0.11 0.00 0.00 57.88 57.80 1kkd h LEU 21 Cb 0.00 0.76 -0.40 0.00 -0.44 0.00 0.00 40.66 40.58 1kkd h LEU 21 CO 0.00 -0.19 -0.75 -0.89 -4.11 0.00 0.00 178.44 172.50 1kkd s THR 22 N -5.00 0.07 0.00 0.15 2.01 -1.26 -5.10 115.64 106.51 1kkd s THR 22 Ca -0.10 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1kkd s THR 22 Cb 0.09 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 72.04 1kkd s THR 22 CO 0.50 -0.10 0.00 1.17 -0.69 0.00 0.00 174.62 175.49 1kkd n LYS 23 N 5.23 0.00 0.00 4.92 3.00 -1.26 -4.85 118.16 125.20 1kkd n LYS 23 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1kkd n LYS 23 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 1kkd n LYS 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1kkd n ARG 24 N 9.93 0.71 -1.20 1.64 5.12 -1.26 -3.89 116.66 127.72 1kkd n ARG 24 Ca 0.00 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.74 1kkd n ARG 24 Cb 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.19 1kkd n ARG 24 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1kkd n VAL 25 N 0.00 3.11 -1.12 1.55 3.14 -1.26 -4.52 118.33 119.23 1kkd n VAL 25 Ca 0.00 -2.12 -0.04 0.00 -2.96 0.00 0.00 64.34 59.22 1kkd n VAL 25 Cb 0.00 -1.80 -0.02 0.00 -1.06 0.00 0.00 33.84 30.96 1kkd n VAL 25 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1kkd n LYS 26 N 1.75 -0.71 -3.30 1.45 4.01 -1.26 -2.98 118.16 117.11 1kkd n LYS 26 Ca 0.44 0.50 -0.16 0.00 -0.51 0.00 0.00 58.31 58.59 1kkd n LYS 26 Cb 0.75 -4.24 0.08 0.00 -0.51 0.00 0.00 35.03 31.11 1kkd n LYS 26 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1kkd n ASN 27 N 0.10 -3.47 0.11 4.39 2.85 -1.26 -4.90 115.26 113.07 1kkd n ASN 27 Ca -0.04 -0.62 0.12 0.00 -0.11 0.00 0.00 54.58 53.93 1kkd n ASN 27 Cb 0.24 -4.95 0.22 0.00 1.24 0.00 0.00 39.78 36.53 1kkd n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1kkd h ALA 28 N 0.56 0.77 0.00 5.20 0.00 -1.93 -3.40 119.26 120.45 1kkd h ALA 28 Ca -0.57 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1kkd h ALA 28 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1kkd h ALA 28 CO 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 1kkd n ALA 29 N -1.91 -1.37 0.33 0.00 0.00 -1.26 -4.97 120.51 111.33 1kkd n ALA 29 Ca 0.04 -0.09 0.22 0.00 0.00 0.00 0.00 53.44 53.60 1kkd n ALA 29 Cb 0.47 -0.46 1.18 0.00 0.00 0.00 0.00 19.45 20.64 1kkd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkd h ALA 30 N 0.07 1.07 -0.29 0.00 0.00 -1.96 0.89 119.26 119.05 1kkd h ALA 30 Ca -0.05 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1kkd h ALA 30 Cb 0.91 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1kkd h ALA 30 CO -0.02 0.00 -0.45 -0.91 0.00 0.00 0.00 179.25 177.87 1kkd h ASN 31 N 0.00 0.80 0.94 0.00 2.35 -1.93 -2.31 115.58 115.43 1kkd h ASN 31 Ca -0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1kkd h ASN 31 Cb 0.01 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1kkd h ASN 31 CO 0.00 1.14 0.00 0.52 -1.65 0.00 0.00 177.43 177.44 1kkd n VAL 32 N -4.02 0.02 0.25 2.81 0.31 0.25 -1.76 118.33 116.19 1kkd n VAL 32 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.39 1kkd n VAL 32 Cb 0.56 -0.51 0.62 0.00 -0.91 0.00 0.00 33.84 33.61 1kkd n VAL 32 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1kkd h LEU 33 N 0.00 0.00 0.00 7.52 7.12 -0.81 -3.05 115.31 126.09 1kkd h LEU 33 Ca 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.97 1kkd h LEU 33 Cb 0.47 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 1kkd h LEU 33 CO 0.00 0.06 -1.26 0.54 -0.13 0.00 0.00 178.44 177.65 1kkd n ARG 34 N -4.40 1.79 -3.40 1.25 1.74 -1.18 -5.02 116.66 107.43 1kkd n ARG 34 Ca -0.03 -0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.82 1kkd n ARG 34 Cb 0.14 -1.11 0.07 0.00 -1.02 0.00 0.00 32.46 30.53 1kkd n ARG 34 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1kkd n GLU 35 N -1.92 -6.71 -1.29 5.56 -0.58 -0.72 -4.90 120.64 110.07 1kkd n GLU 35 Ca -0.04 0.74 -0.20 0.00 -0.42 0.00 0.00 57.16 57.24 1kkd n GLU 35 Cb 0.40 -5.48 0.12 0.00 -0.57 0.00 0.00 31.44 25.91 1kkd n GLU 35 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1kkd n THR 36 N -4.68 2.92 -1.21 2.62 -1.04 -1.25 -3.98 114.28 107.66 1kkd n THR 36 Ca -0.01 -3.04 0.00 0.00 -2.04 0.00 0.00 64.05 58.96 1kkd n THR 36 Cb 0.56 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 1kkd n THR 36 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1kkd n TRP 37 N -0.98 0.00 -1.03 -1.42 7.02 -1.26 -4.74 117.44 115.03 1kkd n TRP 37 Ca 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.95 1kkd n TRP 37 Cb 1.01 0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.92 1kkd n TRP 37 CO 0.00 0.00 0.00 1.47 -2.02 0.00 0.00 177.69 177.14 1kkd n LEU 38 N 0.00 0.00 -0.11 -0.99 -0.00 -1.26 -4.86 117.00 109.78 1kkd n LEU 38 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 1kkd n LEU 38 Cb 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.85 1kkd n LEU 38 CO 0.00 0.01 -1.22 2.30 -0.00 0.00 0.00 177.39 178.48 1kkd n ILE 39 N 0.00 1.18 -2.63 1.47 -5.35 -1.26 -5.10 119.36 107.67 1kkd n ILE 39 Ca 0.00 -0.34 -0.05 0.00 -0.27 0.00 0.00 62.75 62.09 1kkd n ILE 39 Cb 0.24 -1.63 -0.04 0.00 -1.74 0.00 0.00 39.64 36.47 1kkd n ILE 39 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1kkd n TYR 40 N -3.72 -4.32 -0.35 4.28 4.01 -1.26 -4.73 117.16 111.06 1kkd n TYR 40 Ca -0.41 2.48 0.31 0.00 -0.16 0.00 0.00 57.90 60.12 1kkd n TYR 40 Cb 0.82 -3.83 0.57 0.00 -0.31 0.00 0.00 39.34 36.59 1kkd n TYR 40 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1kkd h LYS 41 N 4.11 0.12 0.00 -0.72 -0.00 -1.99 -3.41 116.57 114.68 1kkd h LYS 41 Ca -0.52 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.12 1kkd h LYS 41 Cb 1.18 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.38 1kkd h LYS 41 CO 0.02 0.08 0.00 -1.71 -0.00 0.00 0.00 179.45 177.84 1kkd n ASN 42 N -5.06 0.00 -4.71 7.07 2.85 -1.26 -5.15 115.26 109.00 1kkd n ASN 42 Ca 0.36 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.57 1kkd n ASN 42 Cb 1.23 0.33 -0.08 0.00 1.24 0.00 0.00 39.78 42.49 1kkd n ASN 42 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1kkd s THR 43 N -0.82 2.22 -0.47 -0.44 -1.32 -1.26 -5.10 115.64 108.45 1kkd s THR 43 Ca 0.00 -1.78 -0.16 0.00 -1.21 0.00 0.00 61.69 58.54 1kkd s THR 43 Cb 0.00 -2.99 0.06 0.00 -1.51 0.00 0.00 72.50 68.06 1kkd s THR 43 CO 0.00 0.00 0.44 -1.59 -2.21 0.00 0.00 174.62 171.26 1kkd s LYS 44 N -3.85 3.02 -0.86 7.08 -2.85 -1.26 -4.89 119.74 116.11 1kkd s LYS 44 Ca 0.39 -1.17 -0.08 0.00 -1.00 0.00 0.00 55.97 54.12 1kkd s LYS 44 Cb 0.05 -4.10 -0.17 0.00 -2.06 0.00 0.00 37.83 31.56 1kkd s LYS 44 CO 0.21 -1.03 3.26 1.47 0.10 0.00 0.00 175.35 179.36 1kkd n LEU 45 N 5.45 7.13 0.00 2.77 -0.00 -1.26 -3.27 117.00 127.81 1kkd n LEU 45 Ca -0.11 -3.83 0.00 0.00 -0.00 0.00 0.00 56.01 52.08 1kkd n LEU 45 Cb 0.45 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 1kkd n LEU 45 CO 0.48 1.90 0.00 0.55 -0.00 0.00 0.00 177.39 180.32 1kkd n VAL 46 N 3.02 0.00 -4.02 1.47 3.14 -1.26 -5.13 118.33 115.55 1kkd n VAL 46 Ca 0.62 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.92 1kkd n VAL 46 Cb 0.55 -0.30 -0.10 0.00 -1.06 0.00 0.00 33.84 32.93 1kkd n VAL 46 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1kkd s LYS 47 N -1.73 0.47 0.94 1.45 3.01 -1.20 -5.14 119.74 117.53 1kkd s LYS 47 Ca 0.00 -0.89 -0.12 0.00 -1.01 0.00 0.00 55.97 53.95 1kkd s LYS 47 Cb 0.00 0.17 0.06 0.00 -1.01 0.00 0.00 37.83 37.05 1kkd s LYS 47 CO 0.00 -0.09 0.58 1.63 0.51 0.00 0.00 175.35 177.98 1kkd n LYS 48 N 0.86 -0.33 -1.07 1.68 5.02 -1.26 -4.67 118.16 118.39 1kkd n LYS 48 Ca -0.19 -0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.68 1kkd n LYS 48 Cb 0.58 -1.98 0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1kkd n LYS 48 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1kkd n ILE 49 N -3.75 0.01 0.00 -0.18 -0.00 -1.26 -4.86 119.36 109.32 1kkd n ILE 49 Ca 0.08 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.33 1kkd n ILE 49 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 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 3.16 0.00 0.14 4.38 2.03 -1.26 -4.94 116.55 120.06 1kkd n ASP 50 Ca 0.01 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.09 1kkd n ASP 50 Cb 0.53 0.11 -0.16 0.00 -0.72 0.00 0.00 41.12 40.89 1kkd n ASP 50 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1kkd h HIS 51 N 0.00 0.89 -1.24 -0.67 3.86 -1.98 -3.50 115.15 112.52 1kkd h HIS 51 Ca 0.00 -0.65 0.10 0.00 -1.16 0.00 0.00 60.37 58.65 1kkd h HIS 51 Cb 0.00 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1kkd h HIS 51 CO 0.00 1.53 -0.13 0.00 0.86 0.00 0.00 177.93 180.19 1kkd n ALA 52 N -2.70 -1.50 -1.61 2.45 0.00 -1.26 -3.41 120.51 112.49 1kkd n ALA 52 Ca -0.16 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1kkd n ALA 52 Cb 1.09 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 1kkd n ALA 52 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1kkd n LYS 53 N -1.63 2.70 -3.20 0.00 2.85 -1.26 -4.58 118.16 113.03 1kkd n LYS 53 Ca 0.00 -2.62 -0.25 0.00 -1.05 0.00 0.00 58.31 54.40 1kkd n LYS 53 Cb 0.16 -2.21 -0.06 0.00 -0.65 0.00 0.00 35.03 32.28 1kkd n LYS 53 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1kkd n VAL 54 N 0.79 1.43 -2.02 0.58 0.31 -1.22 -5.05 118.33 113.15 1kkd n VAL 54 Ca 0.51 -4.94 0.00 0.00 -0.01 0.00 0.00 64.34 59.90 1kkd n VAL 54 Cb 0.48 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1kkd n VAL 54 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1kkd n ARG 55 N 0.59 1.92 -2.16 5.55 1.85 -1.26 -5.09 116.66 118.07 1kkd n ARG 55 Ca 0.27 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.70 1kkd n ARG 55 Cb 0.47 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.86 1kkd n ARG 55 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1kkd s LYS 56 N 1.98 4.18 -0.41 2.89 0.00 -1.26 -4.88 119.74 122.24 1kkd s LYS 56 Ca 0.00 1.97 0.10 0.00 0.00 0.00 0.00 55.97 58.04 1kkd s LYS 56 Cb 0.00 -3.91 0.35 0.00 0.00 0.00 0.00 37.83 34.27 1kkd s LYS 56 CO 0.00 -0.82 0.99 1.58 0.00 0.00 0.00 175.35 177.09 1kkd n HIS 57 N 7.02 -1.35 -2.68 1.78 -0.00 -1.26 -5.06 115.22 113.68 1kkd n HIS 57 Ca 0.16 -2.79 -0.04 0.00 0.46 0.00 0.00 57.72 55.50 1kkd n HIS 57 Cb 0.44 0.70 -0.04 0.00 -0.12 0.00 0.00 29.99 30.96 1kkd n HIS 57 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1kkd n GLN 58 N 0.19 -3.99 -0.59 1.57 0.00 -1.26 -4.93 117.38 108.37 1kkd n GLN 58 Ca 0.12 3.04 -0.31 0.00 -0.00 0.00 0.00 57.00 59.86 1kkd n GLN 58 Cb 0.71 -4.21 0.21 0.00 0.00 0.00 0.00 30.24 26.95 1kkd n GLN 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1kkd n ARG 59 N 1.90 -1.94 -4.51 3.69 3.00 -1.26 -5.04 116.66 112.50 1kkd n ARG 59 Ca -0.33 -0.54 -0.24 0.00 -0.01 0.00 0.00 57.85 56.73 1kkd n ARG 59 Cb 0.51 -1.90 -0.09 0.00 0.00 0.00 0.00 32.46 30.97 1kkd n ARG 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1kkd s LYS 60 N -3.84 1.82 -0.00 5.56 0.00 -1.26 -5.16 119.74 116.85 1kkd s LYS 60 Ca 0.61 -2.07 -0.28 0.00 0.00 0.00 0.00 55.97 54.23 1kkd s LYS 60 Cb -0.18 -0.82 0.09 0.00 0.00 0.00 0.00 37.83 36.92 1kkd s LYS 60 CO 0.66 -0.33 1.27 -0.06 0.00 0.00 0.00 175.35 176.89 1kkd s PHE 61 N -3.22 0.03 -0.15 1.78 0.08 -1.26 -5.00 117.98 110.25 1kkd s PHE 61 Ca 0.28 -0.17 -0.23 0.00 0.12 0.00 0.00 56.93 56.93 1kkd s PHE 61 Cb 0.05 0.57 -0.24 0.00 -0.57 0.00 0.00 43.02 42.83 1kkd s PHE 61 CO 0.14 -0.32 0.55 1.37 -0.10 0.00 0.00 175.22 176.86 1kkd h LEU 62 N 2.00 0.13 0.00 -0.37 -0.00 -2.01 -3.43 115.31 111.62 1kkd h LEU 62 Ca -0.22 -0.80 -0.07 0.00 -0.00 0.00 0.00 57.88 56.79 1kkd h LEU 62 Cb 1.19 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 1kkd h LEU 62 CO 0.32 1.34 -1.24 0.00 -0.00 0.00 0.00 178.44 178.85 1kkd n GLN 63 N -4.35 0.10 -1.20 0.17 10.64 -1.26 -5.12 117.38 116.35 1kkd n GLN 63 Ca -0.21 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 1kkd n GLN 63 Cb 0.67 -0.80 0.00 0.00 -0.86 0.00 0.00 30.24 29.25 1kkd n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1kkd n ALA 64 N -3.00 -2.45 -2.00 2.61 0.00 -1.26 -5.12 120.51 109.28 1kkd n ALA 64 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1kkd n ALA 64 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1kkd n ALA 64 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1kkd n ILE 65 N 0.21 0.00 -2.13 0.00 -5.35 -1.26 -5.06 119.36 105.77 1kkd n ILE 65 Ca 0.00 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.44 1kkd n ILE 65 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 37.86 1kkd n ILE 65 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kkd n HIS 66 N 0.00 0.00 -4.05 4.28 1.44 -1.26 -5.13 115.22 110.50 1kkd n HIS 66 Ca 0.00 -0.45 -0.13 0.00 -2.01 0.00 0.00 57.72 55.13 1kkd n HIS 66 Cb 0.00 0.30 -0.04 0.00 0.12 0.00 0.00 29.99 30.37 1kkd n HIS 66 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1kkd s GLN 67 N 0.00 1.85 0.35 -1.40 -0.21 -1.26 -5.19 119.66 113.80 1kkd s GLN 67 Ca 0.09 -1.63 0.01 0.00 0.02 0.00 0.00 55.36 53.84 1kkd s GLN 67 Cb 0.10 0.46 -0.00 0.00 1.00 0.00 0.00 33.01 34.56 1kkd s GLN 67 CO -0.04 -0.77 0.44 -0.48 -2.12 0.00 0.00 175.29 172.31 1kkd s LEU 68 N -3.18 1.23 0.41 2.90 0.05 -1.26 -5.01 118.68 113.83 1kkd s LEU 68 Ca 0.28 -1.59 0.00 0.00 0.05 0.00 0.00 54.13 52.87 1kkd s LEU 68 Cb -0.01 1.26 0.00 0.00 -2.05 0.00 0.00 46.19 45.39 1kkd s LEU 68 CO 0.17 -1.26 0.00 0.54 -0.55 0.00 0.00 176.35 175.25 1kkd n ARG 69 N -0.60 -2.30 -3.87 1.48 5.12 -1.26 -5.01 116.66 110.22 1kkd n ARG 69 Ca 0.03 1.85 -0.11 0.00 -1.93 0.00 0.00 57.85 57.68 1kkd n ARG 69 Cb 0.62 -2.70 -0.12 0.00 -1.16 0.00 0.00 32.46 29.09 1kkd n ARG 69 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1kkd s SER 70 N -6.36 -0.00 -1.43 0.55 1.04 -1.26 -5.05 113.70 101.19 1kkd s SER 70 Ca 0.00 -0.03 -0.07 0.00 0.48 0.00 0.00 55.95 56.33 1kkd s SER 70 Cb 0.00 0.15 0.05 0.00 0.10 0.00 0.00 66.02 66.32 1kkd s SER 70 CO 0.00 -0.13 2.57 0.52 0.98 0.00 0.00 173.24 177.18 1kkd n VAL 71 N 2.52 4.88 -2.08 5.02 0.31 -1.26 -4.74 118.33 122.98 1kkd n VAL 71 Ca -0.16 -3.70 -0.02 0.00 -0.01 0.00 0.00 64.34 60.45 1kkd n VAL 71 Cb 0.58 -2.28 -0.02 0.00 -0.91 0.00 0.00 33.84 31.21 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 2.49 -3.27 -0.71 5.55 4.01 -1.26 -4.99 118.16 119.99 1kkd n LYS 72 Ca 0.68 2.58 -0.29 0.00 -0.51 0.00 0.00 58.31 60.77 1kkd n LYS 72 Cb 0.25 -3.54 0.24 0.00 -0.51 0.00 0.00 35.03 31.47 1kkd n LYS 72 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1kkd s MET 73 N -0.92 -1.12 0.21 1.97 -1.94 -1.26 -4.80 119.30 111.44 1kkd s MET 73 Ca -0.11 0.51 0.00 0.00 -1.71 0.00 0.00 55.69 54.39 1kkd s MET 73 Cb 0.01 -1.56 0.00 0.00 2.01 0.00 0.00 34.83 35.29 1kkd s MET 73 CO 0.29 -3.77 0.00 0.39 -0.01 0.00 0.00 175.02 171.92 1kkd n GLU 74 N -4.90 -4.43 -0.71 2.03 1.02 -1.26 -4.93 120.64 107.46 1kkd n GLU 74 Ca 0.06 3.22 -0.26 0.00 -0.02 0.00 0.00 57.16 60.15 1kkd n GLU 74 Cb 0.57 -3.41 0.11 0.00 -0.02 0.00 0.00 31.44 28.69 1kkd n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kkd n GLN 75 N 1.14 -1.27 -3.75 3.49 10.64 -1.26 -5.03 117.38 121.34 1kkd n GLN 75 Ca 0.00 -0.37 -0.12 0.00 -1.83 0.00 0.00 57.00 54.68 1kkd n GLN 75 Cb 0.00 -1.39 -0.12 0.00 -0.86 0.00 0.00 30.24 27.87 1kkd n GLN 75 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1kkd s ARG 76 N -2.95 0.28 0.99 2.61 1.70 -1.26 -5.14 118.95 115.17 1kkd s ARG 76 Ca 0.39 0.47 -0.16 0.00 -0.47 0.00 0.00 55.73 55.96 1kkd s ARG 76 Cb -0.03 0.03 -0.11 0.00 -0.57 0.00 0.00 34.95 34.27 1kkd s ARG 76 CO 0.50 -0.10 -0.55 1.63 -1.08 0.00 0.00 175.30 175.70 1kkd n LYS 77 N 3.55 -0.07 0.00 3.89 4.76 -1.26 -4.99 118.16 124.05 1kkd n LYS 77 Ca -0.19 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 1kkd n LYS 77 Cb 0.56 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 1kkd n LYS 77 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1kkd n LEU 78 N 2.40 0.00 -1.80 -0.35 -0.00 -1.26 -4.95 117.00 111.04 1kkd n LEU 78 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1kkd n LEU 78 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.95 1kkd n LEU 78 CO 0.52 0.00 -0.10 0.59 -0.00 0.00 0.00 177.39 178.40 1kkd n ASN 79 N 0.00 -2.74 -3.04 1.45 3.02 -1.26 -3.01 115.26 109.68 1kkd n ASN 79 Ca 0.00 0.25 -0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1kkd n ASN 79 Cb 0.00 -2.55 -0.00 0.00 -0.61 0.00 0.00 39.78 36.62 1kkd n ASN 79 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1kkd n ASP 80 N -0.80 -6.72 -3.51 6.41 9.92 -1.26 -3.80 116.55 116.78 1kkd n ASP 80 Ca -0.10 0.76 -0.37 0.00 -0.53 0.00 0.00 54.79 54.55 1kkd n ASP 80 Cb 0.43 -2.62 0.03 0.00 -0.64 0.00 0.00 41.12 38.32 1kkd n ASP 80 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1kkd n GLN 81 N 1.35 -1.84 -2.74 -1.24 7.27 -1.16 -4.76 117.38 114.27 1kkd n GLN 81 Ca -0.02 1.29 -0.43 0.00 0.07 0.00 0.00 57.00 57.91 1kkd n GLN 81 Cb 0.33 -1.98 -0.00 0.00 2.41 0.00 0.00 30.24 30.99 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kkd s ALA 82 N -1.65 3.52 0.00 1.69 0.00 -1.23 -4.82 121.76 119.26 1kkd s ALA 82 Ca 0.33 -3.01 0.00 0.00 0.00 0.00 0.00 51.96 49.27 1kkd s ALA 82 Cb -0.03 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1kkd s ALA 82 CO 0.86 -3.12 0.00 0.09 0.00 0.00 0.00 175.76 173.60 1kkd n ASN 83 N 7.32 0.00 -4.11 0.00 4.13 -1.26 -4.76 115.26 116.58 1kkd n ASN 83 Ca 0.41 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 56.26 1kkd n ASN 83 Cb 0.45 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.69 1kkd n ASN 83 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1kkd n THR 84 N 0.00 -2.54 0.35 3.41 5.66 -1.26 -4.75 114.28 115.15 1kkd n THR 84 Ca 0.00 -0.60 0.06 0.00 -3.05 0.00 0.00 64.05 60.46 1kkd n THR 84 Cb 0.00 -2.14 0.28 0.00 -1.55 0.00 0.00 70.33 66.92 1kkd n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kkd n LEU 85 N -4.88 0.13 -3.97 1.09 -0.00 -1.26 -4.87 117.00 103.23 1kkd n LEU 85 Ca -0.17 0.54 -0.38 0.00 -0.00 0.00 0.00 56.01 56.00 1kkd n LEU 85 Cb 0.60 -0.53 0.01 0.00 -0.00 0.00 0.00 43.42 43.50 1kkd n LEU 85 CO 0.77 -0.39 -0.19 0.52 -0.00 0.00 0.00 177.39 178.09 1kkd n VAL 86 N -1.65 -3.02 -3.46 1.47 0.31 -1.26 -4.90 118.33 105.83 1kkd n VAL 86 Ca 0.02 -0.38 -0.26 0.00 -0.01 0.00 0.00 64.34 63.70 1kkd n VAL 86 Cb 0.13 -2.58 -0.09 0.00 -0.91 0.00 0.00 33.84 30.40 1kkd n VAL 86 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kkd n ASP 87 N -2.33 2.30 -0.95 4.52 9.92 -1.26 -4.87 116.55 123.88 1kkd n ASP 87 Ca -0.19 -3.10 0.04 0.00 -0.53 0.00 0.00 54.79 51.01 1kkd n ASP 87 Cb 0.61 -0.67 0.18 0.00 -0.64 0.00 0.00 41.12 40.60 1kkd n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kkd n LEU 88 N 1.41 2.69 -2.16 0.64 -0.00 -1.26 -4.88 117.00 113.44 1kkd n LEU 88 Ca 0.26 -1.35 -0.04 0.00 -0.00 0.00 0.00 56.01 54.87 1kkd n LEU 88 Cb 0.43 -0.43 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1kkd n LEU 88 CO 0.29 0.46 0.05 0.00 -0.00 0.00 0.00 177.39 178.19 1kkd n ALA 89 N 0.42 -1.48 -1.09 1.47 0.00 -1.26 -5.04 120.51 113.53 1kkd n ALA 89 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1kkd n ALA 89 Cb 0.53 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1kkd n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kkd n LYS 90 N -1.90 0.00 -3.78 0.00 5.02 -1.26 -4.97 118.16 111.27 1kkd n LYS 90 Ca -0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.94 1kkd n LYS 90 Cb 0.53 -0.24 0.03 0.00 -0.02 0.00 0.00 35.03 35.33 1kkd n LYS 90 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1kkd n THR 91 N -0.51 -4.72 -0.81 -0.18 -2.24 -1.26 -5.26 114.28 99.29 1kkd n THR 91 Ca 0.00 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1kkd n THR 91 Cb 0.00 -3.63 0.00 0.00 -2.10 0.00 0.00 70.33 64.60 1kkd n THR 91 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17