#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 2.14 0.41 2.89 2.20 -1.26 -5.09 119.74 121.03 1kkd s LYS 2 Ca 0.00 -0.01 0.08 0.00 -0.36 0.00 0.00 55.97 55.68 1kkd s LYS 2 Cb 0.00 -2.05 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 1kkd s LYS 2 CO 0.00 -1.40 0.29 -0.51 -0.36 0.00 0.00 175.35 173.37 1kkd s LEU 3 N -5.42 3.29 -0.12 5.43 1.43 -1.26 -5.14 118.68 116.89 1kkd s LEU 3 Ca 0.61 -0.86 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1kkd s LEU 3 Cb -0.11 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.38 1kkd s LEU 3 CO 0.47 -0.58 0.80 -1.61 0.23 0.00 0.00 176.35 175.67 1kkd s GLU 4 N -4.03 0.86 0.50 1.70 2.02 -1.26 -5.14 118.70 113.35 1kkd s GLU 4 Ca 0.45 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.76 1kkd s GLU 4 Cb -0.01 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.63 1kkd s GLU 4 CO 0.26 -0.25 0.00 -0.11 0.02 0.00 0.00 175.26 175.18 1kkd n LEU 5 N 1.11 -0.87 -3.15 1.80 0.00 -1.26 -4.95 117.00 109.69 1kkd n LEU 5 Ca -0.15 2.01 0.01 0.00 0.00 0.00 0.00 56.01 57.87 1kkd n LEU 5 Cb 0.57 -3.78 -0.01 0.00 0.00 0.00 0.00 43.42 40.21 1kkd n LEU 5 CO 0.18 -2.39 0.14 0.28 0.00 0.00 0.00 177.39 175.60 1kkd s THR 6 N -3.78 -0.89 0.00 1.96 -1.32 -1.26 -5.08 115.64 105.27 1kkd s THR 6 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1kkd s THR 6 Cb 0.00 -0.01 0.00 0.00 -1.51 0.00 0.00 72.50 70.98 1kkd s THR 6 CO 0.00 0.00 0.00 0.29 -2.21 0.00 0.00 174.62 172.70 1kkd n LYS 7 N 4.33 0.00 -2.51 7.08 4.76 -1.26 -3.58 118.16 126.98 1kkd n LYS 7 Ca 0.10 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 1kkd n LYS 7 Cb 0.58 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.74 1kkd n LYS 7 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kkd s ALA 8 N -0.18 3.45 0.00 7.82 0.00 -1.26 -4.85 121.76 126.74 1kkd s ALA 8 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1kkd s ALA 8 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1kkd s ALA 8 CO 0.00 -0.67 0.66 -0.85 0.00 0.00 0.00 175.76 174.90 1kkd n GLU 9 N 4.97 0.00 -0.04 0.00 0.28 -1.23 -4.81 120.64 119.80 1kkd n GLU 9 Ca 0.10 -0.65 -0.04 0.00 -0.16 0.00 0.00 57.16 56.40 1kkd n GLU 9 Cb 0.47 -0.49 -0.05 0.00 1.43 0.00 0.00 31.44 32.80 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 2.09 -1.78 3.44 2.85 -1.26 -5.12 118.16 118.39 1kkd n LYS 10 Ca 0.00 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1kkd n LYS 10 Cb 0.57 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.77 1kkd n LYS 10 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1kkd n HIS 11 N -2.40 -4.54 -1.37 5.58 1.44 -1.26 -4.98 115.22 107.69 1kkd n HIS 11 Ca -0.13 2.41 0.00 0.00 -2.01 0.00 0.00 57.72 57.99 1kkd n HIS 11 Cb 0.71 -3.56 0.00 0.00 0.12 0.00 0.00 29.99 27.26 1kkd n HIS 11 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1kkd n VAL 12 N 0.61 -4.54 0.12 0.61 0.31 -1.26 -5.05 118.33 109.12 1kkd n VAL 12 Ca 0.00 1.97 0.00 0.00 -0.01 0.00 0.00 64.34 66.30 1kkd n VAL 12 Cb 0.00 -2.80 0.00 0.00 -0.91 0.00 0.00 33.84 30.13 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 0.04 -1.79 -2.67 3.52 -0.00 -1.26 -5.05 115.22 108.01 1kkd n HIS 13 Ca 0.00 0.32 -0.04 0.00 0.46 0.00 0.00 57.72 58.46 1kkd n HIS 13 Cb 0.00 0.42 0.10 0.00 -0.12 0.00 0.00 29.99 30.38 1kkd n HIS 13 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1kkd n ASN 14 N -3.47 -1.27 -3.63 0.26 5.15 -1.26 -5.16 115.26 105.87 1kkd n ASN 14 Ca 0.00 -1.84 0.00 0.00 -0.60 0.00 0.00 54.58 52.14 1kkd n ASN 14 Cb 0.00 0.95 0.00 0.00 -0.53 0.00 0.00 39.78 40.20 1kkd n ASN 14 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1kkd n PHE 15 N 0.98 -1.34 -2.88 1.20 7.35 -1.26 -4.83 117.46 116.69 1kkd n PHE 15 Ca -0.02 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.23 1kkd n PHE 15 Cb 0.73 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.55 1kkd n PHE 15 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1kkd s MET 16 N -1.01 3.91 0.07 -4.13 -1.94 -1.26 -4.58 119.30 110.36 1kkd s MET 16 Ca 0.00 -2.20 0.00 0.00 -1.71 0.00 0.00 55.69 51.78 1kkd s MET 16 Cb 0.00 -5.10 0.00 0.00 2.01 0.00 0.00 34.83 31.74 1kkd s MET 16 CO 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 175.02 173.16 1kkd n MET 17 N 6.42 0.00 -2.60 2.03 0.00 -1.26 -5.12 117.12 116.59 1kkd n MET 17 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 58.04 1kkd n MET 17 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 33.22 33.50 1kkd n MET 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1kkd n ASP 18 N -2.94 -6.62 -3.09 3.17 8.00 -1.26 -4.98 116.55 108.83 1kkd n ASP 18 Ca 0.00 1.31 -0.25 0.00 0.71 0.00 0.00 54.79 56.56 1kkd n ASP 18 Cb 0.00 -4.98 -0.05 0.00 -0.02 0.00 0.00 41.12 36.08 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 0.77 1.96 0.04 -3.53 -2.24 -1.26 -4.76 114.28 105.26 1kkd n THR 19 Ca -0.05 -5.19 0.00 0.00 -2.27 0.00 0.00 64.05 56.53 1kkd n THR 19 Cb 0.08 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 1kkd n THR 19 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1kkd n GLN 20 N 0.15 0.00 -3.04 -0.78 7.27 -1.26 -5.02 117.38 114.71 1kkd n GLN 20 Ca 0.29 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.92 1kkd n GLN 20 Cb 0.47 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.12 1kkd n GLN 20 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1kkd n LEU 21 N -2.59 5.96 -0.08 1.69 4.77 -1.26 -4.72 117.00 120.77 1kkd n LEU 21 Ca 0.00 -4.98 -0.08 0.00 -0.03 0.00 0.00 56.01 50.93 1kkd n LEU 21 Cb 0.00 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 39.64 1kkd n LEU 21 CO 0.00 1.39 -0.48 0.41 -1.33 0.00 0.00 177.39 177.38 1kkd n THR 22 N 2.53 1.45 -3.93 -5.08 -1.04 -1.26 -5.04 114.28 101.91 1kkd n THR 22 Ca 0.28 0.17 -0.09 0.00 -2.04 0.00 0.00 64.05 62.37 1kkd n THR 22 Cb 0.37 -2.35 -0.09 0.00 -1.82 0.00 0.00 70.33 66.45 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 -2.44 0.68 0.14 -2.82 -2.85 -1.26 -5.16 119.74 106.02 1kkd s LYS 23 Ca -0.20 -0.88 0.07 0.00 -1.00 0.00 0.00 55.97 53.96 1kkd s LYS 23 Cb 0.03 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 1kkd s LYS 23 CO 0.31 -0.18 -0.15 -0.98 0.10 0.00 0.00 175.35 174.45 1kkd s ARG 24 N -3.18 1.13 -1.25 1.78 3.03 -1.26 -4.82 118.95 114.38 1kkd s ARG 24 Ca -0.00 -1.33 -0.32 0.00 2.03 0.00 0.00 55.73 56.10 1kkd s ARG 24 Cb 0.02 -1.03 0.04 0.00 -1.03 0.00 0.00 34.95 32.95 1kkd s ARG 24 CO -0.07 0.20 0.62 1.55 -1.13 0.00 0.00 175.30 176.46 1kkd n VAL 25 N 0.33 -2.47 0.00 4.99 3.14 -1.26 -1.80 118.33 121.26 1kkd n VAL 25 Ca -0.14 -0.58 0.00 0.00 -2.96 0.00 0.00 64.34 60.66 1kkd n VAL 25 Cb 0.58 -2.11 0.00 0.00 -1.06 0.00 0.00 33.84 31.25 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 -5.06 0.00 -2.04 1.45 4.01 -1.26 -4.40 118.16 110.86 1kkd n LYS 26 Ca -0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 1kkd n LYS 26 Cb 0.57 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.09 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 1.53 -1.79 -0.55 4.39 2.85 -0.75 -4.92 115.26 116.02 1kkd n ASN 27 Ca 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1kkd n ASN 27 Cb 0.00 -0.45 -0.00 0.00 1.24 0.00 0.00 39.78 40.57 1kkd n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1kkd n ALA 28 N -1.64 2.09 -1.31 5.20 0.00 -1.26 -4.97 120.51 118.63 1kkd n ALA 28 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1kkd n ALA 28 Cb 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 0.02 0.00 -1.49 0.00 0.00 -1.26 -4.92 120.51 112.85 1kkd n ALA 29 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1kkd n ALA 29 Cb 0.60 -0.30 -0.11 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.18 0.50 -1.35 0.00 0.00 -1.26 0.17 120.51 117.39 1kkd n ALA 30 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 52.91 1kkd n ALA 30 Cb 0.30 -2.53 -0.06 0.00 0.00 0.00 0.00 19.45 17.16 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 11.63 -3.99 -1.29 0.00 4.13 -1.26 -1.11 115.26 123.37 1kkd n ASN 31 Ca 0.55 0.33 -0.06 0.00 1.68 0.00 0.00 54.58 57.07 1kkd n ASN 31 Cb 0.18 -3.51 -0.02 0.00 -1.54 0.00 0.00 39.78 34.89 1kkd n ASN 31 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1kkd n VAL 32 N -1.93 -0.03 0.00 2.41 0.24 0.45 0.15 118.33 119.63 1kkd n VAL 32 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1kkd n VAL 32 Cb 0.48 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 1kkd n VAL 32 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1kkd n LEU 33 N -1.52 0.00 -0.20 1.34 0.00 -0.27 -4.08 117.00 112.27 1kkd n LEU 33 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.94 1kkd n LEU 33 Cb 0.23 0.00 0.21 0.00 0.00 0.00 0.00 43.42 43.86 1kkd n LEU 33 CO 0.09 0.00 1.15 -0.09 0.00 0.00 0.00 177.39 178.55 1kkd h ARG 34 N 0.00 0.97 -5.81 1.96 9.65 -1.84 -3.46 114.38 115.85 1kkd h ARG 34 Ca 0.00 -0.10 -0.42 0.00 -1.10 0.00 0.00 59.98 58.36 1kkd h ARG 34 Cb 0.00 -0.20 -0.11 0.00 -1.39 0.00 0.00 29.97 28.28 1kkd h ARG 34 CO 0.00 0.71 -0.63 -0.85 2.80 0.00 0.00 179.97 182.01 1kkd n GLU 35 N -4.37 -3.44 0.29 0.20 0.28 0.40 -4.78 120.64 109.22 1kkd n GLU 35 Ca 0.07 0.45 0.18 0.00 -0.16 0.00 0.00 57.16 57.70 1kkd n GLU 35 Cb 0.10 -5.17 0.86 0.00 1.43 0.00 0.00 31.44 28.66 1kkd n GLU 35 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1kkd h THR 36 N -1.14 0.12 -0.00 3.84 2.02 -1.89 0.16 112.91 116.02 1kkd h THR 36 Ca -0.47 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1kkd h THR 36 Cb 1.31 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1kkd h THR 36 CO 0.59 0.03 -0.27 0.79 0.37 0.00 0.00 175.52 177.03 1kkd n TRP 37 N -3.19 0.00 0.23 3.16 7.02 -1.26 -0.69 117.44 122.70 1kkd n TRP 37 Ca -0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.58 1kkd n TRP 37 Cb 0.22 -0.30 -0.04 0.00 -2.42 0.00 0.00 31.31 28.78 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 -1.32 0.55 -0.11 -0.99 7.99 0.52 -4.36 117.00 119.27 1kkd n LEU 38 Ca 0.08 0.13 -0.20 0.00 -0.01 0.00 0.00 56.01 56.01 1kkd n LEU 38 Cb 0.33 -0.06 -0.09 0.00 -0.11 0.00 0.00 43.42 43.49 1kkd n LEU 38 CO 0.30 -0.06 -1.26 2.30 -1.51 0.00 0.00 177.39 177.16 1kkd n ILE 39 N -2.33 1.26 -2.62 -0.08 -5.35 -0.98 -5.06 119.36 104.19 1kkd n ILE 39 Ca -0.00 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1kkd n ILE 39 Cb 0.52 -1.55 0.00 0.00 -1.74 0.00 0.00 39.64 36.87 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 -3.59 0.00 -3.62 4.28 4.11 0.13 -4.87 117.16 113.60 1kkd n TYR 40 Ca -0.42 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.11 1kkd n TYR 40 Cb 0.87 -0.80 -0.06 0.00 -0.00 0.00 0.00 39.34 39.35 1kkd n TYR 40 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1kkd s LYS 41 N -0.70 3.31 0.23 -3.48 3.01 -1.26 -4.57 119.74 116.28 1kkd s LYS 41 Ca 0.00 -3.27 0.00 0.00 -1.01 0.00 0.00 55.97 51.69 1kkd s LYS 41 Cb 0.00 -3.98 0.00 0.00 -1.01 0.00 0.00 37.83 32.84 1kkd s LYS 41 CO 0.00 -1.26 0.00 -1.71 0.51 0.00 0.00 175.35 172.89 1kkd n ASN 42 N 2.36 -2.09 -0.20 2.83 5.15 -1.26 -5.16 115.26 116.89 1kkd n ASN 42 Ca 0.21 0.60 0.00 0.00 -0.60 0.00 0.00 54.58 54.79 1kkd n ASN 42 Cb 0.37 2.15 0.00 0.00 -0.53 0.00 0.00 39.78 41.77 1kkd n ASN 42 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1kkd n THR 43 N -3.07 0.00 -4.30 -0.44 -2.24 -1.26 -4.87 114.28 98.09 1kkd n THR 43 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 1kkd n THR 43 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1kkd n THR 43 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1kkd n LYS 44 N -0.40 0.87 -3.36 -0.78 2.85 -1.26 -4.85 118.16 111.22 1kkd n LYS 44 Ca 0.00 -3.11 -0.12 0.00 -1.05 0.00 0.00 58.31 54.03 1kkd n LYS 44 Cb 0.00 0.62 0.01 0.00 -0.65 0.00 0.00 35.03 35.01 1kkd n LYS 44 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1kkd n LEU 45 N 0.00 -4.83 -0.04 -5.58 4.77 -1.26 -4.96 117.00 105.09 1kkd n LEU 45 Ca -0.11 -0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 55.29 1kkd n LEU 45 Cb 0.55 -2.72 -0.03 0.00 -2.33 0.00 0.00 43.42 38.89 1kkd n LEU 45 CO 0.31 -0.41 -0.59 0.52 -1.33 0.00 0.00 177.39 175.88 1kkd n VAL 46 N -2.43 1.19 -1.26 4.08 0.31 -1.26 -4.67 118.33 114.28 1kkd n VAL 46 Ca -0.11 0.10 -0.29 0.00 -0.01 0.00 0.00 64.34 64.03 1kkd n VAL 46 Cb 0.57 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.53 1kkd n VAL 46 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1kkd n LYS 47 N -3.90 3.13 -1.71 5.55 4.81 -1.26 -4.92 118.16 119.86 1kkd n LYS 47 Ca -0.15 -1.89 -0.42 0.00 -0.87 0.00 0.00 58.31 54.97 1kkd n LYS 47 Cb 0.43 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 32.97 1kkd n LYS 47 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1kkd s LYS 48 N 1.34 4.13 1.21 1.64 0.00 -1.26 -4.95 119.74 121.85 1kkd s LYS 48 Ca 0.67 2.61 -0.18 0.00 0.00 0.00 0.00 55.97 59.07 1kkd s LYS 48 Cb 0.24 -3.56 0.25 0.00 0.00 0.00 0.00 37.83 34.75 1kkd s LYS 48 CO -0.05 -0.84 0.53 0.44 0.00 0.00 0.00 175.35 175.43 1kkd n ILE 49 N 4.69 0.00 -0.08 3.79 -5.35 -1.26 -4.97 119.36 116.18 1kkd n ILE 49 Ca 0.18 -0.13 -0.20 0.00 -0.27 0.00 0.00 62.75 62.33 1kkd n ILE 49 Cb 0.38 -0.74 -0.13 0.00 -1.74 0.00 0.00 39.64 37.42 1kkd n ILE 49 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1kkd n ASP 50 N -3.29 2.03 0.00 7.28 2.03 -1.26 -5.05 116.55 118.29 1kkd n ASP 50 Ca 0.07 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1kkd n ASP 50 Cb 0.50 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 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 -3.43 0.00 -3.89 -0.67 -0.00 -1.26 -5.17 115.22 100.80 1kkd n HIS 51 Ca -0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.30 1kkd n HIS 51 Cb 1.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 31.00 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 -0.97 -1.86 0.07 1.57 0.00 -1.26 -5.03 121.76 114.27 1kkd s ALA 52 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 1kkd s ALA 52 Cb 0.00 0.77 -0.27 0.00 0.00 0.00 0.00 23.12 23.62 1kkd s ALA 52 CO 0.00 -1.09 1.11 1.57 0.00 0.00 0.00 175.76 177.35 1kkd h LYS 53 N 2.00 0.21 -6.41 0.00 2.10 -2.07 -3.49 116.57 108.92 1kkd h LYS 53 Ca -0.26 -0.37 -0.14 0.00 -2.00 0.00 0.00 60.65 57.89 1kkd h LYS 53 Cb 1.21 0.14 0.01 0.00 -0.90 0.00 0.00 32.23 32.68 1kkd h LYS 53 CO 0.34 1.15 -1.07 1.55 -2.00 0.00 0.00 179.45 179.41 1kkd n VAL 54 N -3.48 -2.93 -3.56 0.07 3.14 -1.26 -4.97 118.33 105.34 1kkd n VAL 54 Ca -0.08 0.38 -0.26 0.00 -2.96 0.00 0.00 64.34 61.42 1kkd n VAL 54 Cb 1.01 -3.30 -0.16 0.00 -1.06 0.00 0.00 33.84 30.34 1kkd n VAL 54 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1kkd s ARG 55 N -1.53 0.14 0.03 1.45 1.70 -1.26 -5.13 118.95 114.35 1kkd s ARG 55 Ca 0.14 -0.24 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 1kkd s ARG 55 Cb -0.01 -1.45 -0.02 0.00 -0.57 0.00 0.00 34.95 32.89 1kkd s ARG 55 CO 0.33 -0.83 -0.04 -1.59 -1.08 0.00 0.00 175.30 172.09 1kkd s LYS 56 N 2.15 0.42 -0.42 3.89 -2.85 -1.26 -5.07 119.74 116.60 1kkd s LYS 56 Ca 0.06 -0.74 0.09 0.00 -1.00 0.00 0.00 55.97 54.37 1kkd s LYS 56 Cb -0.16 0.01 0.36 0.00 -2.06 0.00 0.00 37.83 35.99 1kkd s LYS 56 CO -0.22 -0.03 1.18 0.72 0.10 0.00 0.00 175.35 177.10 1kkd n HIS 57 N 1.33 -2.15 -3.21 1.78 8.25 -1.26 -5.05 115.22 114.91 1kkd n HIS 57 Ca -0.22 -2.23 -0.17 0.00 -0.26 0.00 0.00 57.72 54.84 1kkd n HIS 57 Cb 0.56 1.30 0.02 0.00 1.12 0.00 0.00 29.99 32.99 1kkd n HIS 57 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kkd n GLN 58 N -0.08 -0.95 -2.86 -0.41 10.64 -1.26 -4.89 117.38 117.58 1kkd n GLN 58 Ca 0.04 1.00 -0.29 0.00 -1.83 0.00 0.00 57.00 55.92 1kkd n GLN 58 Cb 0.77 -1.36 -0.03 0.00 -0.86 0.00 0.00 30.24 28.77 1kkd n GLN 58 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1kkd n ARG 59 N 0.62 3.60 -2.53 2.61 1.85 -1.26 -4.63 116.66 116.92 1kkd n ARG 59 Ca -0.04 -4.80 -0.03 0.00 -1.00 0.00 0.00 57.85 51.98 1kkd n ARG 59 Cb 0.56 -2.28 0.10 0.00 -1.05 0.00 0.00 32.46 29.79 1kkd n ARG 59 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1kkd n LYS 60 N -0.24 1.07 -3.10 2.89 0.00 -1.26 -5.14 118.16 112.38 1kkd n LYS 60 Ca 0.34 -1.17 -0.28 0.00 -0.00 0.00 0.00 58.31 57.20 1kkd n LYS 60 Cb 0.38 0.23 -0.02 0.00 -0.00 0.00 0.00 35.03 35.62 1kkd n LYS 60 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1kkd s PHE 61 N 0.12 3.49 0.11 5.58 5.36 -1.26 -5.10 117.98 126.28 1kkd s PHE 61 Ca 0.11 0.73 0.05 0.00 -0.96 0.00 0.00 56.93 56.86 1kkd s PHE 61 Cb 0.35 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 1kkd s PHE 61 CO -0.10 0.01 -0.13 -0.48 -1.46 0.00 0.00 175.22 173.07 1kkd s LEU 62 N -3.95 2.38 0.00 6.12 2.34 -1.26 -5.05 118.68 119.26 1kkd s LEU 62 Ca 0.46 -0.78 0.00 0.00 0.06 0.00 0.00 54.13 53.87 1kkd s LEU 62 Cb -0.10 -0.46 0.00 0.00 -0.56 0.00 0.00 46.19 45.07 1kkd s LEU 62 CO 0.34 -0.17 0.00 0.00 -1.06 0.00 0.00 176.35 175.45 1kkd n GLN 63 N 0.66 0.00 0.00 1.48 1.13 -1.26 -5.11 117.38 114.27 1kkd n GLN 63 Ca -0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 1kkd n GLN 63 Cb 0.57 -0.62 0.00 0.00 0.11 0.00 0.00 30.24 30.30 1kkd n GLN 63 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kkd n ALA 64 N -2.63 0.00 -2.01 -1.58 0.00 -1.26 -5.14 120.51 107.89 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 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 0.00 -1.21 0.00 5.41 -1.26 -4.94 119.36 117.36 1kkd n ILE 65 Ca 0.00 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.56 1kkd n ILE 65 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 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 0.72 -1.06 1.39 -0.00 -1.26 -4.95 115.22 110.06 1kkd n HIS 66 Ca 0.00 -1.69 0.13 0.00 0.46 0.00 0.00 57.72 56.61 1kkd n HIS 66 Cb 0.00 -1.49 -0.04 0.00 -0.12 0.00 0.00 29.99 28.34 1kkd n HIS 66 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1kkd n GLN 67 N 1.76 -2.02 -0.17 1.57 7.27 -1.26 -4.90 117.38 119.63 1kkd n GLN 67 Ca 0.45 1.44 0.02 0.00 0.07 0.00 0.00 57.00 58.98 1kkd n GLN 67 Cb 0.75 -2.53 -0.01 0.00 2.41 0.00 0.00 30.24 30.87 1kkd n GLN 67 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1kkd n LEU 68 N -3.29 0.00 -3.23 1.69 4.77 -1.26 -4.92 117.00 110.75 1kkd n LEU 68 Ca -0.01 0.18 0.04 0.00 -0.03 0.00 0.00 56.01 56.18 1kkd n LEU 68 Cb 0.62 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1kkd n LEU 68 CO 0.01 -0.89 0.63 0.00 -1.33 0.00 0.00 177.39 175.81 1kkd s ARG 69 N -0.37 0.21 0.17 3.23 1.70 -1.26 -4.79 118.95 117.83 1kkd s ARG 69 Ca 0.00 0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.70 1kkd s ARG 69 Cb 0.00 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 1kkd s ARG 69 CO 0.00 -0.16 0.00 0.43 -1.08 0.00 0.00 175.30 174.49 1kkd n SER 70 N 5.19 -7.09 -3.53 -2.89 7.64 -1.26 -4.86 113.62 106.82 1kkd n SER 70 Ca -0.07 1.00 -0.36 0.00 1.01 0.00 0.00 58.87 60.44 1kkd n SER 70 Cb 0.54 -3.88 -0.01 0.00 -1.01 0.00 0.00 64.21 59.85 1kkd n SER 70 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1kkd n VAL 71 N 1.24 4.69 -2.68 0.44 0.31 -1.26 -4.63 118.33 116.44 1kkd n VAL 71 Ca 0.00 -5.78 -0.04 0.00 -0.01 0.00 0.00 64.34 58.51 1kkd n VAL 71 Cb 0.00 -1.72 0.10 0.00 -0.91 0.00 0.00 33.84 31.31 1kkd n VAL 71 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1kkd n LYS 72 N 0.35 0.29 -4.46 5.55 2.85 -1.26 -5.16 118.16 116.31 1kkd n LYS 72 Ca 0.36 -0.92 -0.23 0.00 -1.05 0.00 0.00 58.31 56.47 1kkd n LYS 72 Cb 0.33 -0.35 -0.10 0.00 -0.65 0.00 0.00 35.03 34.26 1kkd n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kkd s MET 73 N 0.12 1.64 0.36 -1.58 0.23 -1.26 -5.06 119.30 113.74 1kkd s MET 73 Ca 0.22 -1.78 0.00 0.00 -1.03 0.00 0.00 55.69 53.10 1kkd s MET 73 Cb 0.27 -1.55 0.00 0.00 -1.53 0.00 0.00 34.83 32.02 1kkd s MET 73 CO -0.16 0.21 0.00 0.39 -2.03 0.00 0.00 175.02 173.43 1kkd n GLU 74 N -0.62 -2.75 -4.19 3.16 -0.58 -1.26 -5.07 120.64 109.33 1kkd n GLU 74 Ca -0.06 2.10 -0.13 0.00 -0.42 0.00 0.00 57.16 58.65 1kkd n GLU 74 Cb 0.61 -2.50 -0.09 0.00 -0.57 0.00 0.00 31.44 28.89 1kkd n GLU 74 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1kkd s GLN 75 N -4.74 1.35 -0.03 3.49 -0.21 -1.26 -5.18 119.66 113.08 1kkd s GLN 75 Ca 0.00 -1.66 -0.31 0.00 0.02 0.00 0.00 55.36 53.41 1kkd s GLN 75 Cb 0.00 0.30 0.11 0.00 1.00 0.00 0.00 33.01 34.43 1kkd s GLN 75 CO 0.00 -0.47 1.17 -0.98 -2.12 0.00 0.00 175.29 172.89 1kkd s ARG 76 N -3.99 0.55 0.27 2.91 1.70 -1.26 -5.19 118.95 113.93 1kkd s ARG 76 Ca 0.37 -0.28 0.01 0.00 -0.47 0.00 0.00 55.73 55.37 1kkd s ARG 76 Cb 0.05 0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1kkd s ARG 76 CO 0.15 -0.25 0.25 -1.59 -1.08 0.00 0.00 175.30 172.78 1kkd s LYS 77 N -2.64 1.51 0.00 3.89 0.00 -1.26 -5.04 119.74 116.20 1kkd s LYS 77 Ca 0.12 -1.75 0.00 0.00 0.00 0.00 0.00 55.97 54.34 1kkd s LYS 77 Cb 0.02 0.33 0.00 0.00 0.00 0.00 0.00 37.83 38.17 1kkd s LYS 77 CO -0.03 -0.55 0.00 1.47 0.00 0.00 0.00 175.35 176.24 1kkd n LEU 78 N -0.44 0.00 -2.59 2.77 -0.00 -1.26 -4.98 117.00 110.50 1kkd n LEU 78 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.80 1kkd n LEU 78 Cb 0.64 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.96 1kkd n LEU 78 CO 0.31 -0.00 2.29 0.59 -0.00 0.00 0.00 177.39 180.58 1kkd n ASN 79 N -0.79 6.76 -3.46 1.45 4.13 -1.26 -4.61 115.26 117.49 1kkd n ASN 79 Ca 0.00 -2.62 -0.28 0.00 1.68 0.00 0.00 54.58 53.36 1kkd n ASN 79 Cb 0.00 -1.45 -0.12 0.00 -1.54 0.00 0.00 39.78 36.67 1kkd n ASN 79 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1kkd s ASP 80 N 1.81 2.84 0.44 6.41 3.68 -1.26 -5.13 116.67 125.46 1kkd s ASP 80 Ca 0.67 -2.05 0.07 0.00 2.13 0.00 0.00 52.55 53.36 1kkd s ASP 80 Cb 0.27 -0.30 0.01 0.00 -1.45 0.00 0.00 42.92 41.45 1kkd s ASP 80 CO -0.05 -0.32 0.60 0.00 0.13 0.00 0.00 175.17 175.54 1kkd s GLN 81 N 1.19 2.80 0.43 4.34 -2.07 -1.26 -5.00 119.66 120.10 1kkd s GLN 81 Ca 0.17 -1.13 0.24 0.00 -1.82 0.00 0.00 55.36 52.82 1kkd s GLN 81 Cb -0.22 -2.71 0.80 0.00 -1.09 0.00 0.00 33.01 29.79 1kkd s GLN 81 CO -0.02 -0.33 1.77 0.00 -1.32 0.00 0.00 175.29 175.38 1kkd h ALA 82 N 0.55 0.97 -3.59 2.60 0.00 -2.00 -3.49 119.26 114.29 1kkd h ALA 82 Ca -0.41 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1kkd h ALA 82 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1kkd h ALA 82 CO 0.47 0.26 -0.89 -1.71 0.00 0.00 0.00 179.25 177.37 1kkd n ASN 83 N -3.29 -8.30 -3.02 0.00 2.85 -1.26 -4.84 115.26 97.40 1kkd n ASN 83 Ca 0.01 1.36 -0.08 0.00 -0.11 0.00 0.00 54.58 55.76 1kkd n ASN 83 Cb 0.47 -4.68 0.01 0.00 1.24 0.00 0.00 39.78 36.81 1kkd n ASN 83 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1kkd n THR 84 N -1.33 -2.17 0.44 -0.44 -1.04 -1.26 -4.89 114.28 103.59 1kkd n THR 84 Ca 0.00 0.37 0.05 0.00 -2.04 0.00 0.00 64.05 62.43 1kkd n THR 84 Cb 0.12 -2.82 -0.06 0.00 -1.82 0.00 0.00 70.33 65.75 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 0.92 0.45 0.00 -4.42 -0.00 -1.26 -4.95 117.00 107.74 1kkd n LEU 85 Ca -0.02 -0.45 0.00 0.00 -0.00 0.00 0.00 56.01 55.54 1kkd n LEU 85 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1kkd n LEU 85 CO 0.11 0.11 0.00 0.52 -0.00 0.00 0.00 177.39 178.13 1kkd n VAL 86 N -1.31 0.00 -1.30 1.47 0.31 -1.26 -5.13 118.33 111.11 1kkd n VAL 86 Ca 0.02 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.52 1kkd n VAL 86 Cb 0.17 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.06 1kkd n VAL 86 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1kkd n ASP 87 N 0.00 -7.59 -2.52 4.52 2.03 -1.26 -4.64 116.55 107.09 1kkd n ASP 87 Ca 0.00 0.64 -0.05 0.00 0.52 0.00 0.00 54.79 55.90 1kkd n ASP 87 Cb 0.00 -4.05 -0.01 0.00 -0.72 0.00 0.00 41.12 36.34 1kkd n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kkd n LEU 88 N -3.87 -0.10 0.19 -2.67 -0.00 -1.26 -4.04 117.00 105.25 1kkd n LEU 88 Ca -0.01 0.24 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 1kkd n LEU 88 Cb 0.65 -0.95 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 1kkd n LEU 88 CO 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 177.39 177.42 1kkd n ALA 89 N -2.40 0.40 -3.95 1.47 0.00 -1.26 -5.06 120.51 109.71 1kkd n ALA 89 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 1kkd n ALA 89 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.90 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 -3.31 -0.81 -3.51 0.00 3.00 -1.26 -2.36 118.16 109.92 1kkd n LYS 90 Ca 0.00 0.38 -0.38 0.00 -0.00 0.00 0.00 58.31 58.31 1kkd n LYS 90 Cb 0.00 -2.45 0.03 0.00 0.00 0.00 0.00 35.03 32.62 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 -4.00 -3.68 1.78 3.15 -2.24 -1.26 -5.12 114.28 102.91 1kkd n THR 91 Ca -0.20 0.06 0.14 0.00 -2.27 0.00 0.00 64.05 61.78 1kkd n THR 91 Cb 0.62 -3.36 0.85 0.00 -2.10 0.00 0.00 70.33 66.34 1kkd n THR 91 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17