#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 1.63 -0.29 2.89 2.20 -1.26 -5.17 119.74 119.74 1kkd s LYS 2 Ca 0.00 -0.86 -0.17 0.00 -0.36 0.00 0.00 55.97 54.58 1kkd s LYS 2 Cb 0.00 0.59 0.18 0.00 -1.51 0.00 0.00 37.83 37.09 1kkd s LYS 2 CO 0.00 -0.73 1.13 -1.17 -0.36 0.00 0.00 175.35 174.22 1kkd s LEU 3 N -2.88 -0.27 0.06 5.43 1.98 -1.26 -5.18 118.68 116.56 1kkd s LEU 3 Ca 0.09 0.44 -0.27 0.00 -2.89 0.00 0.00 54.13 51.49 1kkd s LEU 3 Cb -0.04 1.40 0.09 0.00 0.66 0.00 0.00 46.19 48.30 1kkd s LEU 3 CO 0.01 -0.07 0.92 -1.83 -1.89 0.00 0.00 176.35 173.49 1kkd s GLU 4 N 1.12 0.97 0.35 1.98 -1.05 -1.26 -5.19 118.70 115.62 1kkd s GLU 4 Ca -0.08 -0.44 -0.11 0.00 -0.15 0.00 0.00 54.97 54.19 1kkd s GLU 4 Cb -0.03 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.08 1kkd s GLU 4 CO -0.12 -0.43 0.65 -0.48 0.95 0.00 0.00 175.26 175.83 1kkd s LEU 5 N -2.67 0.36 -0.11 1.83 2.34 -1.26 -5.18 118.68 113.99 1kkd s LEU 5 Ca 0.08 -1.21 -0.08 0.00 0.06 0.00 0.00 54.13 52.98 1kkd s LEU 5 Cb -0.01 2.29 0.04 0.00 -0.56 0.00 0.00 46.19 47.94 1kkd s LEU 5 CO -0.05 -1.49 0.27 0.28 -1.06 0.00 0.00 176.35 174.30 1kkd s THR 6 N -2.79 -0.02 0.25 5.48 -1.32 -1.26 -5.16 115.64 110.81 1kkd s THR 6 Ca 0.21 0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.77 1kkd s THR 6 Cb -0.03 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.52 1kkd s THR 6 CO 0.14 0.03 0.17 -1.59 -2.21 0.00 0.00 174.62 171.16 1kkd s LYS 7 N 0.69 1.40 -0.02 7.08 -2.85 -1.26 -5.10 119.74 119.68 1kkd s LYS 7 Ca -0.05 -1.77 -0.38 0.00 -1.00 0.00 0.00 55.97 52.78 1kkd s LYS 7 Cb -0.06 0.23 -0.17 0.00 -2.06 0.00 0.00 37.83 35.77 1kkd s LYS 7 CO -0.04 -0.46 1.41 0.00 0.10 0.00 0.00 175.35 176.35 1kkd n ALA 8 N -0.40 -1.10 -1.42 0.59 0.00 -1.26 -4.82 120.51 112.10 1kkd n ALA 8 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1kkd n ALA 8 Cb 0.65 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1kkd n ALA 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1kkd n GLU 9 N 3.07 0.00 -0.02 0.00 0.28 -1.26 -4.83 120.64 117.88 1kkd n GLU 9 Ca 0.21 -0.68 -0.03 0.00 -0.16 0.00 0.00 57.16 56.49 1kkd n GLU 9 Cb 0.16 -0.49 -0.03 0.00 1.43 0.00 0.00 31.44 32.52 1kkd n GLU 9 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1kkd n LYS 10 N 0.00 0.66 -1.40 3.44 2.85 -1.26 -5.13 118.16 117.32 1kkd n LYS 10 Ca 0.00 0.02 0.17 0.00 -1.05 0.00 0.00 58.31 57.45 1kkd n LYS 10 Cb 0.58 -1.10 -0.08 0.00 -0.65 0.00 0.00 35.03 33.78 1kkd n LYS 10 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1kkd n HIS 11 N -2.57 -3.58 -3.65 5.58 -0.00 -1.26 -5.04 115.22 104.70 1kkd n HIS 11 Ca -0.09 1.94 0.02 0.00 0.46 0.00 0.00 57.72 60.05 1kkd n HIS 11 Cb 0.60 -3.26 -0.06 0.00 -0.12 0.00 0.00 29.99 27.15 1kkd n HIS 11 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1kkd s VAL 12 N -3.91 0.00 0.00 3.57 0.11 -1.26 -5.18 120.40 113.72 1kkd s VAL 12 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1kkd s VAL 12 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1kkd s VAL 12 CO 0.00 0.00 0.00 1.57 -3.33 0.00 0.00 175.10 173.34 1kkd n HIS 13 N 3.07 -0.18 -3.80 1.54 -0.00 -1.26 -5.06 115.22 109.52 1kkd n HIS 13 Ca -0.17 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.70 1kkd n HIS 13 Cb 0.56 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.33 1kkd n HIS 13 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1kkd s ASN 14 N -0.87 5.26 1.05 0.26 3.84 -1.26 -5.08 114.94 118.14 1kkd s ASN 14 Ca 0.00 -3.72 -0.12 0.00 0.21 0.00 0.00 52.86 49.23 1kkd s ASN 14 Cb 0.00 -1.75 0.22 0.00 -0.55 0.00 0.00 41.25 39.17 1kkd s ASN 14 CO 0.00 -0.14 1.07 -0.36 -2.79 0.00 0.00 177.10 174.88 1kkd s PHE 15 N -1.29 1.89 -0.94 0.43 0.40 -1.26 -4.80 117.98 112.40 1kkd s PHE 15 Ca 0.25 1.05 -0.25 0.00 -0.60 0.00 0.00 56.93 57.37 1kkd s PHE 15 Cb -0.07 -3.22 -0.19 0.00 0.51 0.00 0.00 43.02 40.05 1kkd s PHE 15 CO -0.14 -3.18 1.96 -1.33 0.70 0.00 0.00 175.22 173.23 1kkd n MET 16 N -4.39 0.81 -0.01 0.44 2.81 -1.26 -4.69 117.12 110.83 1kkd n MET 16 Ca 0.05 -1.91 -0.11 0.00 -1.81 0.00 0.00 57.70 53.91 1kkd n MET 16 Cb 0.56 -3.56 -0.06 0.00 -0.71 0.00 0.00 33.22 29.46 1kkd n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kkd h MET 17 N 10.28 0.13 -6.61 0.03 -0.00 -2.02 -3.47 114.93 113.27 1kkd h MET 17 Ca 0.17 -0.01 -0.42 0.00 -0.00 0.00 0.00 59.70 59.43 1kkd h MET 17 Cb 0.90 -0.03 0.01 0.00 -0.00 0.00 0.00 31.60 32.48 1kkd h MET 17 CO 1.34 0.16 -1.17 -0.25 -0.00 0.00 0.00 176.91 176.99 1kkd n ASP 18 N -4.98 -5.30 -2.39 -0.10 9.92 -1.26 -4.89 116.55 107.55 1kkd n ASP 18 Ca -0.06 -0.43 -0.26 0.00 -0.53 0.00 0.00 54.79 53.51 1kkd n ASP 18 Cb 0.07 -1.69 0.00 0.00 -0.64 0.00 0.00 41.12 38.86 1kkd n ASP 18 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1kkd n THR 19 N -1.01 2.40 0.00 -3.53 -2.24 -1.26 -4.68 114.28 103.97 1kkd n THR 19 Ca -0.16 -4.80 0.00 0.00 -2.27 0.00 0.00 64.05 56.82 1kkd n THR 19 Cb 0.69 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 -0.53 0.00 -2.05 -0.78 10.64 -1.26 -5.14 117.38 118.26 1kkd n GLN 20 Ca 0.40 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.57 1kkd n GLN 20 Cb 0.72 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.10 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 -2.53 -5.67 -3.65 2.61 4.77 -1.26 -5.09 117.00 106.18 1kkd n LEU 21 Ca 0.00 2.30 -0.02 0.00 -0.03 0.00 0.00 56.01 58.26 1kkd n LEU 21 Cb 0.00 -2.79 -0.07 0.00 -2.33 0.00 0.00 43.42 38.23 1kkd n LEU 21 CO 0.00 -2.26 0.79 0.28 -1.33 0.00 0.00 177.39 174.87 1kkd s THR 22 N -0.47 0.00 0.00 -5.08 -1.32 -1.26 -5.04 115.64 102.47 1kkd s THR 22 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1kkd s THR 22 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1kkd s THR 22 CO 0.00 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.70 1kkd n LYS 23 N 3.20 3.85 -4.01 7.08 2.85 -1.26 -4.97 118.16 124.89 1kkd n LYS 23 Ca -0.17 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.84 1kkd n LYS 23 Cb 0.57 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.90 1kkd n LYS 23 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1kkd s ARG 24 N 0.00 2.29 -1.47 -1.58 3.03 -1.26 -4.66 118.95 115.29 1kkd s ARG 24 Ca 0.00 -1.89 -0.07 0.00 2.03 0.00 0.00 55.73 55.80 1kkd s ARG 24 Cb 0.00 -2.05 0.01 0.00 -1.03 0.00 0.00 34.95 31.88 1kkd s ARG 24 CO 0.00 -0.29 0.14 1.55 -1.13 0.00 0.00 175.30 175.57 1kkd n VAL 25 N -1.45 -1.33 -1.86 4.99 3.14 -1.26 -3.99 118.33 116.57 1kkd n VAL 25 Ca -0.02 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 1kkd n VAL 25 Cb 0.64 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.18 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 -4.68 -5.08 -0.07 1.45 4.76 -1.26 -4.45 118.16 108.83 1kkd n LYS 26 Ca -0.28 3.65 -0.15 0.00 -2.87 0.00 0.00 58.31 58.65 1kkd n LYS 26 Cb 0.67 -3.94 -0.05 0.00 -1.84 0.00 0.00 35.03 29.86 1kkd n LYS 26 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 1kkd h ASN 27 N 3.47 0.87 0.17 4.39 -1.07 -1.83 -2.46 115.58 119.12 1kkd h ASN 27 Ca 0.00 -0.54 0.00 0.00 0.07 0.00 0.00 56.30 55.83 1kkd h ASN 27 Cb 0.00 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 36.00 1kkd h ASN 27 CO 0.00 1.24 0.00 0.00 0.07 0.00 0.00 177.43 178.74 1kkd n ALA 28 N -2.55 1.18 -0.82 4.14 0.00 -1.26 -1.83 120.51 119.37 1kkd n ALA 28 Ca -0.05 0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 1kkd n ALA 28 Cb 0.59 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.78 4.99 0.32 0.00 0.00 -0.93 -4.39 120.51 118.72 1kkd n ALA 29 Ca -0.01 -1.55 0.20 0.00 0.00 0.00 0.00 53.44 52.08 1kkd n ALA 29 Cb 0.08 -1.34 1.07 0.00 0.00 0.00 0.00 19.45 19.26 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 1.46 1.10 -0.24 0.00 0.00 -1.55 0.23 119.26 120.26 1kkd h ALA 30 Ca 0.28 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1kkd h ALA 30 Cb 0.97 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1kkd h ALA 30 CO 0.71 0.01 -0.46 -0.91 0.00 0.00 0.00 179.25 178.60 1kkd h ASN 31 N 0.00 0.67 0.80 0.00 2.35 -1.88 -2.29 115.58 115.24 1kkd h ASN 31 Ca -0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1kkd h ASN 31 Cb 0.10 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1kkd h ASN 31 CO 0.00 1.03 -0.09 0.52 -1.65 0.00 0.00 177.43 177.25 1kkd n VAL 32 N -4.00 0.00 0.25 2.81 0.31 0.01 -1.89 118.33 115.82 1kkd n VAL 32 Ca -0.02 -0.01 0.08 0.00 -0.01 0.00 0.00 64.34 64.38 1kkd n VAL 32 Cb 0.56 -0.35 0.62 0.00 -0.91 0.00 0.00 33.84 33.76 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 0.05 0.00 0.00 7.52 7.12 -0.77 -3.07 115.31 126.15 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 0.46 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1kkd h LEU 33 CO 0.00 0.06 -1.25 -1.14 -0.13 0.00 0.00 178.44 175.98 1kkd n ARG 34 N -4.41 1.98 -1.82 1.25 0.63 -1.21 -5.00 116.66 108.08 1kkd n ARG 34 Ca -0.03 -0.02 -0.20 0.00 -0.92 0.00 0.00 57.85 56.69 1kkd n ARG 34 Cb 0.14 -1.11 -0.06 0.00 0.45 0.00 0.00 32.46 31.88 1kkd n ARG 34 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1kkd n GLU 35 N -1.94 -1.43 -0.57 -0.14 1.02 -0.79 -4.83 120.64 111.96 1kkd n GLU 35 Ca -0.04 1.11 -0.11 0.00 -0.02 0.00 0.00 57.16 58.10 1kkd n GLU 35 Cb 0.41 -5.53 0.08 0.00 -0.02 0.00 0.00 31.44 26.39 1kkd n GLU 35 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1kkd n THR 36 N -2.94 2.03 -1.95 2.62 -1.04 -1.26 -2.87 114.28 108.87 1kkd n THR 36 Ca -0.21 -0.90 0.00 0.00 -2.04 0.00 0.00 64.05 60.91 1kkd n THR 36 Cb 0.65 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 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 -0.22 0.00 0.00 -1.42 7.02 -1.26 -4.52 117.44 117.03 1kkd n TRP 37 Ca 0.27 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.75 1kkd n TRP 37 Cb 1.02 0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.91 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 -0.09 -0.99 -0.00 -1.19 -4.89 117.00 109.84 1kkd n LEU 38 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1kkd n LEU 38 Cb 0.65 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.95 1kkd n LEU 38 CO 0.00 0.00 -1.08 2.30 -0.00 0.00 0.00 177.39 178.61 1kkd n ILE 39 N -1.28 1.15 -2.64 1.47 -5.35 -1.14 -5.05 119.36 106.53 1kkd n ILE 39 Ca 0.00 -0.62 -0.10 0.00 -0.27 0.00 0.00 62.75 61.76 1kkd n ILE 39 Cb 0.00 -0.78 0.01 0.00 -1.74 0.00 0.00 39.64 37.13 1kkd n ILE 39 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kkd n TYR 40 N -2.77 -0.67 0.00 4.28 0.18 -1.26 -4.85 117.16 112.08 1kkd n TYR 40 Ca -0.30 0.28 0.00 0.00 1.88 0.00 0.00 57.90 59.76 1kkd n TYR 40 Cb 0.99 -0.93 0.00 0.00 -0.38 0.00 0.00 39.34 39.02 1kkd n TYR 40 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1kkd n LYS 41 N 0.69 0.00 -2.08 -3.48 4.01 -1.26 -4.96 118.16 111.08 1kkd n LYS 41 Ca -0.02 0.28 -0.02 0.00 -0.51 0.00 0.00 58.31 58.04 1kkd n LYS 41 Cb 0.42 -0.83 -0.02 0.00 -0.51 0.00 0.00 35.03 34.09 1kkd n LYS 41 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1kkd n ASN 42 N -0.61 -3.62 -2.97 4.39 3.02 -1.26 -4.97 115.26 109.24 1kkd n ASN 42 Ca 0.00 1.05 -0.25 0.00 -0.03 0.00 0.00 54.58 55.35 1kkd n ASN 42 Cb 0.00 -3.83 -0.04 0.00 -0.61 0.00 0.00 39.78 35.30 1kkd n ASN 42 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1kkd n THR 43 N 1.18 2.42 -3.60 3.41 5.66 -1.26 -5.02 114.28 117.06 1kkd n THR 43 Ca -0.16 -5.35 -0.14 0.00 -3.05 0.00 0.00 64.05 55.36 1kkd n THR 43 Cb 0.25 -1.16 -0.07 0.00 -1.55 0.00 0.00 70.33 67.80 1kkd n THR 43 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1kkd s LYS 44 N -3.28 0.79 -0.03 1.09 -2.85 -1.26 -5.03 119.74 109.17 1kkd s LYS 44 Ca 0.47 0.67 0.05 0.00 -1.00 0.00 0.00 55.97 56.16 1kkd s LYS 44 Cb 0.30 0.38 0.07 0.00 -2.06 0.00 0.00 37.83 36.52 1kkd s LYS 44 CO -0.13 -0.15 0.91 1.47 0.10 0.00 0.00 175.35 177.55 1kkd n LEU 45 N 2.01 0.92 -2.15 2.77 -0.00 -1.26 -5.09 117.00 114.20 1kkd n LEU 45 Ca -0.14 -1.43 0.00 0.00 -0.00 0.00 0.00 56.01 54.43 1kkd n LEU 45 Cb 0.56 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1kkd n LEU 45 CO 0.09 0.34 -0.48 0.52 -0.00 0.00 0.00 177.39 177.86 1kkd n VAL 46 N -0.43-13.67 -3.66 1.47 0.31 -1.26 -5.03 118.33 96.06 1kkd n VAL 46 Ca 0.04 3.39 -0.19 0.00 -0.01 0.00 0.00 64.34 67.57 1kkd n VAL 46 Cb 0.56 -5.75 -0.17 0.00 -0.91 0.00 0.00 33.84 27.57 1kkd n VAL 46 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1kkd s LYS 47 N -0.63 -0.00 -0.05 5.55 0.00 -1.26 -5.11 119.74 118.24 1kkd s LYS 47 Ca 0.00 0.43 -0.35 0.00 0.00 0.00 0.00 55.97 56.05 1kkd s LYS 47 Cb 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 37.83 37.17 1kkd s LYS 47 CO 0.00 -0.36 1.77 1.63 0.00 0.00 0.00 175.35 178.39 1kkd n LYS 48 N 5.31 1.97 -0.21 1.78 4.76 -1.26 -4.93 118.16 125.59 1kkd n LYS 48 Ca -0.04 0.72 -0.22 0.00 -2.87 0.00 0.00 58.31 55.90 1kkd n LYS 48 Cb 0.50 -2.52 0.21 0.00 -1.84 0.00 0.00 35.03 31.38 1kkd n LYS 48 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1kkd n ILE 49 N 4.56 0.00 -3.36 -0.18 -6.64 -1.26 -5.06 119.36 107.41 1kkd n ILE 49 Ca 0.22 0.00 0.02 0.00 -1.77 0.00 0.00 62.75 61.22 1kkd n ILE 49 Cb 0.26 -0.70 -0.04 0.00 -1.44 0.00 0.00 39.64 37.72 1kkd n ILE 49 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 1kkd s ASP 50 N -2.69 -0.43 0.00 7.28 -0.00 -1.26 -5.10 116.67 114.47 1kkd s ASP 50 Ca 0.48 0.60 0.00 0.00 -0.00 0.00 0.00 52.55 53.63 1kkd s ASP 50 Cb -0.08 1.47 0.00 0.00 -0.00 0.00 0.00 42.92 44.31 1kkd s ASP 50 CO 0.40 -0.08 0.00 0.00 -0.00 0.00 0.00 175.17 175.48 1kkd n HIS 51 N 4.76 0.00 -3.60 4.23 1.44 -1.26 -5.09 115.22 115.70 1kkd n HIS 51 Ca -0.09 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.64 1kkd n HIS 51 Cb 0.54 -0.26 -0.00 0.00 0.12 0.00 0.00 29.99 30.38 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1kkd s ALA 52 N -3.46 -2.33 -0.31 1.59 0.00 -1.26 -5.14 121.76 110.85 1kkd s ALA 52 Ca 0.00 0.81 0.04 0.00 0.00 0.00 0.00 51.96 52.81 1kkd s ALA 52 Cb 0.00 0.30 0.18 0.00 0.00 0.00 0.00 23.12 23.60 1kkd s ALA 52 CO 0.00 -1.05 0.50 -1.59 0.00 0.00 0.00 175.76 173.62 1kkd s LYS 53 N -2.28 0.52 -0.46 0.00 -2.85 -1.26 -5.07 119.74 108.34 1kkd s LYS 53 Ca 0.14 0.21 0.05 0.00 -1.00 0.00 0.00 55.97 55.37 1kkd s LYS 53 Cb 0.06 -0.06 0.18 0.00 -2.06 0.00 0.00 37.83 35.95 1kkd s LYS 53 CO -0.05 -1.06 0.40 0.28 0.10 0.00 0.00 175.35 175.02 1kkd n VAL 54 N 5.24 -0.62 -3.27 1.79 0.31 -1.26 -5.09 118.33 115.42 1kkd n VAL 54 Ca 0.04 -3.77 0.00 0.00 -0.01 0.00 0.00 64.34 60.60 1kkd n VAL 54 Cb 0.52 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1kkd n VAL 54 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1kkd n ARG 55 N 2.44 0.00 -4.61 5.55 5.12 -1.26 -5.19 116.66 118.72 1kkd n ARG 55 Ca 0.27 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.91 1kkd n ARG 55 Cb 0.47 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.69 1kkd n ARG 55 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1kkd s LYS 56 N -1.31 2.05 -0.33 5.56 0.00 -1.26 -5.09 119.74 119.37 1kkd s LYS 56 Ca 0.00 -2.28 0.03 0.00 0.00 0.00 0.00 55.97 53.72 1kkd s LYS 56 Cb 0.00 -0.90 0.18 0.00 0.00 0.00 0.00 37.83 37.11 1kkd s LYS 56 CO 0.00 -0.47 1.20 1.58 0.00 0.00 0.00 175.35 177.66 1kkd n HIS 57 N -1.06 -0.55 -2.29 1.78 -0.00 -1.26 -5.16 115.22 106.68 1kkd n HIS 57 Ca -0.11 -0.81 -0.25 0.00 0.46 0.00 0.00 57.72 57.01 1kkd n HIS 57 Cb 0.65 1.21 0.15 0.00 -0.12 0.00 0.00 29.99 31.88 1kkd n HIS 57 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1kkd n GLN 58 N -0.13 -0.57 -3.72 1.57 10.64 -1.26 -5.11 117.38 118.80 1kkd n GLN 58 Ca -0.18 -2.34 -0.17 0.00 -1.83 0.00 0.00 57.00 52.49 1kkd n GLN 58 Cb 0.70 -0.92 -0.17 0.00 -0.86 0.00 0.00 30.24 28.99 1kkd n GLN 58 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1kkd s ARG 59 N -5.32 -0.04 0.94 2.61 1.70 -1.26 -5.14 118.95 112.44 1kkd s ARG 59 Ca 0.67 0.30 -0.16 0.00 -0.47 0.00 0.00 55.73 56.07 1kkd s ARG 59 Cb -0.03 -0.34 -0.12 0.00 -0.57 0.00 0.00 34.95 33.89 1kkd s ARG 59 CO 0.46 -0.24 -0.51 1.63 -1.08 0.00 0.00 175.30 175.56 1kkd n LYS 60 N 4.69 -0.04 -3.64 3.89 4.76 -1.26 -5.00 118.16 121.56 1kkd n LYS 60 Ca -0.17 -0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.16 1kkd n LYS 60 Cb 0.50 -1.17 -0.07 0.00 -1.84 0.00 0.00 35.03 32.46 1kkd n LYS 60 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1kkd s PHE 61 N -2.06 -0.70 0.18 2.13 5.36 -1.26 -5.18 117.98 116.46 1kkd s PHE 61 Ca 0.45 1.63 -0.20 0.00 -0.96 0.00 0.00 56.93 57.85 1kkd s PHE 61 Cb -0.22 0.36 0.04 0.00 -0.34 0.00 0.00 43.02 42.86 1kkd s PHE 61 CO 0.78 -0.34 0.56 -0.48 -1.46 0.00 0.00 175.22 174.28 1kkd s LEU 62 N 0.56 -0.16 -0.30 6.12 0.05 -1.26 -5.14 118.68 118.56 1kkd s LEU 62 Ca -0.01 -0.30 -0.02 0.00 0.05 0.00 0.00 54.13 53.85 1kkd s LEU 62 Cb -0.05 2.34 0.10 0.00 -2.05 0.00 0.00 46.19 46.53 1kkd s LEU 62 CO -0.05 -1.03 0.11 -1.10 -0.55 0.00 0.00 176.35 173.73 1kkd s GLN 63 N -3.82 0.49 -0.30 1.48 -0.21 -1.26 -5.03 119.66 111.00 1kkd s GLN 63 Ca 0.06 -0.84 -0.15 0.00 0.02 0.00 0.00 55.36 54.44 1kkd s GLN 63 Cb -0.01 -1.63 0.19 0.00 1.00 0.00 0.00 33.01 32.55 1kkd s GLN 63 CO -0.07 -1.00 1.17 0.00 -2.12 0.00 0.00 175.29 173.27 1kkd s ALA 64 N 1.82 -4.75 0.00 6.09 0.00 -1.26 -5.14 121.76 118.52 1kkd s ALA 64 Ca 0.10 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1kkd s ALA 64 Cb -0.17 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1kkd s ALA 64 CO -0.30 -2.37 0.00 -0.89 0.00 0.00 0.00 175.76 172.20 1kkd n ILE 65 N 4.28 0.00 -2.61 0.00 -0.00 -1.26 -4.99 119.36 114.78 1kkd n ILE 65 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.69 1kkd n ILE 65 Cb 0.62 0.00 0.02 0.00 -0.00 0.00 0.00 39.64 40.28 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 1.79 -3.79 1.39 1.44 -1.26 -5.03 115.22 109.77 1kkd n HIS 66 Ca 0.00 -2.79 -0.27 0.00 -2.01 0.00 0.00 57.72 52.65 1kkd n HIS 66 Cb 0.00 -0.29 -0.17 0.00 0.12 0.00 0.00 29.99 29.66 1kkd n HIS 66 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1kkd s GLN 67 N -3.31 0.88 -0.46 -1.40 1.03 -1.26 -5.02 119.66 110.12 1kkd s GLN 67 Ca 0.33 -0.39 0.05 0.00 0.04 0.00 0.00 55.36 55.38 1kkd s GLN 67 Cb 0.43 -1.93 0.25 0.00 0.03 0.00 0.00 33.01 31.78 1kkd s GLN 67 CO -0.03 -0.54 0.95 1.47 -2.54 0.00 0.00 175.29 174.61 1kkd n LEU 68 N 5.00 -2.64 -3.53 2.60 -0.00 -1.26 -5.07 117.00 112.10 1kkd n LEU 68 Ca -0.09 -3.06 -0.09 0.00 -0.00 0.00 0.00 56.01 52.77 1kkd n LEU 68 Cb 0.48 0.79 -0.03 0.00 -0.00 0.00 0.00 43.42 44.66 1kkd n LEU 68 CO 0.14 1.93 0.71 -0.13 -0.00 0.00 0.00 177.39 180.04 1kkd s ARG 69 N 0.60 0.75 -0.69 1.47 0.52 -1.26 -5.11 118.95 115.24 1kkd s ARG 69 Ca 0.31 -0.16 -0.18 0.00 -0.52 0.00 0.00 55.73 55.17 1kkd s ARG 69 Cb 0.23 0.35 0.12 0.00 0.52 0.00 0.00 34.95 36.17 1kkd s ARG 69 CO -0.22 -0.31 0.79 -1.12 0.02 0.00 0.00 175.30 174.47 1kkd s SER 70 N -2.08 6.34 -0.77 0.23 0.01 -1.26 -4.93 113.70 111.24 1kkd s SER 70 Ca 0.03 -1.71 -0.11 0.00 1.31 0.00 0.00 55.95 55.46 1kkd s SER 70 Cb -0.01 -2.31 -0.09 0.00 0.21 0.00 0.00 66.02 63.82 1kkd s SER 70 CO -0.06 -1.04 1.94 1.33 0.41 0.00 0.00 173.24 175.83 1kkd n VAL 71 N 5.32 1.97 -2.79 3.43 0.24 -1.26 -4.10 118.33 121.14 1kkd n VAL 71 Ca -0.00 -1.35 -0.10 0.00 -2.04 0.00 0.00 64.34 60.85 1kkd n VAL 71 Cb 0.44 -2.14 0.07 0.00 -1.47 0.00 0.00 33.84 30.74 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 5.32 0.96 -4.85 7.34 5.02 -1.26 -5.13 118.16 125.56 1kkd n LYS 72 Ca 0.43 -2.05 -0.25 0.00 -2.02 0.00 0.00 58.31 54.41 1kkd n LYS 72 Cb 0.22 -1.18 -0.15 0.00 -0.02 0.00 0.00 35.03 33.89 1kkd n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kkd s MET 73 N 0.07 1.51 0.19 1.97 0.23 -1.26 -5.13 119.30 116.88 1kkd s MET 73 Ca 0.26 -0.63 -0.23 0.00 -1.03 0.00 0.00 55.69 54.06 1kkd s MET 73 Cb 0.28 -1.43 0.06 0.00 -1.53 0.00 0.00 34.83 32.22 1kkd s MET 73 CO -0.09 0.36 0.96 -1.83 -2.03 0.00 0.00 175.02 172.38 1kkd s GLU 74 N -0.33 1.35 -0.13 3.16 1.03 -1.26 -5.16 118.70 117.36 1kkd s GLU 74 Ca 0.05 -0.80 0.02 0.00 0.03 0.00 0.00 54.97 54.27 1kkd s GLU 74 Cb -0.08 0.43 0.01 0.00 -0.80 0.00 0.00 34.13 33.69 1kkd s GLU 74 CO -0.00 -0.62 -0.21 -0.65 -1.33 0.00 0.00 175.26 172.45 1kkd s GLN 75 N -2.91 2.88 0.56 -4.83 -1.52 -1.26 -5.13 119.66 107.45 1kkd s GLN 75 Ca 0.15 -0.80 0.01 0.00 -1.95 0.00 0.00 55.36 52.77 1kkd s GLN 75 Cb -0.02 -2.34 0.03 0.00 -0.22 0.00 0.00 33.01 30.46 1kkd s GLN 75 CO 0.04 -0.03 0.79 1.03 -0.25 0.00 0.00 175.29 176.88 1kkd s ARG 76 N 0.85 2.54 0.26 2.91 0.52 -1.26 -5.12 118.95 119.64 1kkd s ARG 76 Ca -0.07 -0.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.46 1kkd s ARG 76 Cb -0.15 -2.46 -0.05 0.00 0.52 0.00 0.00 34.95 32.80 1kkd s ARG 76 CO -0.02 -0.74 -0.01 -1.59 0.02 0.00 0.00 175.30 172.96 1kkd s LYS 77 N -4.79 1.44 0.39 3.54 -2.85 -1.26 -5.16 119.74 111.04 1kkd s LYS 77 Ca 0.57 -1.74 -0.14 0.00 -1.00 0.00 0.00 55.97 53.67 1kkd s LYS 77 Cb -0.10 -0.78 0.05 0.00 -2.06 0.00 0.00 37.83 34.94 1kkd s LYS 77 CO 0.39 -0.08 0.76 -0.48 0.10 0.00 0.00 175.35 176.04 1kkd s LEU 78 N -3.37 0.15 -1.40 2.77 0.05 -1.26 -4.97 118.68 110.66 1kkd s LEU 78 Ca 0.30 -1.24 -0.08 0.00 0.05 0.00 0.00 54.13 53.16 1kkd s LEU 78 Cb 0.06 2.70 0.01 0.00 -2.05 0.00 0.00 46.19 46.90 1kkd s LEU 78 CO 0.10 -1.68 0.34 -3.20 -0.55 0.00 0.00 176.35 171.37 1kkd n ASN 79 N -1.50 -0.97 -4.27 1.48 5.15 -1.26 -4.88 115.26 109.02 1kkd n ASN 79 Ca -0.08 -1.17 -0.44 0.00 -0.60 0.00 0.00 54.58 52.30 1kkd n ASN 79 Cb 0.60 -2.27 -0.06 0.00 -0.53 0.00 0.00 39.78 37.52 1kkd n ASN 79 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1kkd s ASP 80 N -4.14 6.11 0.27 1.20 -1.08 -1.26 -5.01 116.67 112.75 1kkd s ASP 80 Ca 0.13 -2.15 -0.11 0.00 -0.52 0.00 0.00 52.55 49.90 1kkd s ASP 80 Cb -0.06 -2.12 -0.00 0.00 -1.46 0.00 0.00 42.92 39.27 1kkd s ASP 80 CO 0.94 -0.70 0.49 -1.10 0.52 0.00 0.00 175.17 175.33 1kkd s GLN 81 N 1.02 1.63 -0.18 4.34 -1.52 -1.26 -5.07 119.66 118.62 1kkd s GLN 81 Ca 0.09 -1.33 -0.11 0.00 -1.95 0.00 0.00 55.36 52.05 1kkd s GLN 81 Cb -0.23 0.47 0.04 0.00 -0.22 0.00 0.00 33.01 33.08 1kkd s GLN 81 CO -0.02 -0.68 0.22 0.00 -0.25 0.00 0.00 175.29 174.57 1kkd n ALA 82 N -0.41 -3.67 -0.01 6.09 0.00 -1.26 -4.96 120.51 116.29 1kkd n ALA 82 Ca -0.02 2.19 0.10 0.00 0.00 0.00 0.00 53.44 55.71 1kkd n ALA 82 Cb 0.62 -4.28 -0.17 0.00 0.00 0.00 0.00 19.45 15.62 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 1.52 0.10 0.00 0.00 3.02 -1.26 -4.99 115.26 113.65 1kkd n ASN 83 Ca -0.38 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1kkd n ASN 83 Cb 0.58 1.93 0.00 0.00 -0.61 0.00 0.00 39.78 41.69 1kkd n ASN 83 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1kkd n THR 84 N -2.27 0.00 0.00 3.41 -2.24 -1.26 -5.16 114.28 106.77 1kkd n THR 84 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1kkd n THR 84 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.00 0.00 -3.19 3.22 -0.00 -1.26 -5.04 117.00 110.74 1kkd n LEU 85 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 1kkd n LEU 85 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1kkd n LEU 85 CO 0.00 0.00 -0.21 0.52 -0.00 0.00 0.00 177.39 177.70 1kkd n VAL 86 N 0.00 0.02 -1.77 1.47 0.31 -1.26 -5.06 118.33 112.04 1kkd n VAL 86 Ca 0.00 -4.47 -0.36 0.00 -0.01 0.00 0.00 64.34 59.50 1kkd n VAL 86 Cb 0.00 -1.18 -0.03 0.00 -0.91 0.00 0.00 33.84 31.72 1kkd n VAL 86 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1kkd s ASP 87 N -1.99 4.79 0.00 4.52 2.15 -1.26 -4.54 116.67 120.33 1kkd s ASP 87 Ca 0.39 0.71 0.00 0.00 0.43 0.00 0.00 52.55 54.08 1kkd s ASP 87 Cb 0.26 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1kkd s ASP 87 CO -0.09 -2.69 0.79 0.00 -0.17 0.00 0.00 175.17 173.01 1kkd n LEU 88 N 14.60 0.00 -2.36 -1.34 -0.00 -1.26 -5.02 117.00 121.62 1kkd n LEU 88 Ca 0.30 -0.87 -0.04 0.00 -0.00 0.00 0.00 56.01 55.40 1kkd n LEU 88 Cb 0.53 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.97 1kkd n LEU 88 CO 0.70 0.40 0.09 0.00 -0.00 0.00 0.00 177.39 178.59 1kkd n ALA 89 N 0.00 -1.76 -0.75 1.47 0.00 -1.26 -4.83 120.51 113.38 1kkd n ALA 89 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1kkd n ALA 89 Cb 0.62 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 1kkd n ALA 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1kkd n LYS 90 N -1.93 -1.42 -3.18 0.00 3.00 -1.26 -4.39 118.16 108.98 1kkd n LYS 90 Ca -0.02 0.94 -0.30 0.00 -0.00 0.00 0.00 58.31 58.93 1kkd n LYS 90 Cb 0.53 -1.73 -0.05 0.00 0.00 0.00 0.00 35.03 33.78 1kkd n LYS 90 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1kkd n THR 91 N -2.38 3.16 1.94 3.15 5.66 -1.26 -5.11 114.28 119.45 1kkd n THR 91 Ca 0.00 -5.47 0.16 0.00 -3.05 0.00 0.00 64.05 55.69 1kkd n THR 91 Cb 0.32 -1.85 0.92 0.00 -1.55 0.00 0.00 70.33 68.18 1kkd n THR 91 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69