#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 -4.07 -3.54 5.56 3.00 -1.26 -5.06 118.16 112.80 1kkd n LYS 2 Ca 0.00 3.17 0.02 0.00 -0.00 0.00 0.00 58.31 61.49 1kkd n LYS 2 Cb 0.00 -3.99 -0.06 0.00 0.00 0.00 0.00 35.03 30.98 1kkd n LYS 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1kkd s LEU 3 N -5.51 -0.19 -0.27 3.14 0.20 -1.26 -5.18 118.68 109.61 1kkd s LEU 3 Ca 0.00 0.30 -0.30 0.00 0.69 0.00 0.00 54.13 54.81 1kkd s LEU 3 Cb 0.00 1.26 0.18 0.00 -0.43 0.00 0.00 46.19 47.20 1kkd s LEU 3 CO 0.00 -0.05 1.32 -1.83 -0.29 0.00 0.00 176.35 175.50 1kkd s GLU 4 N 1.39 0.13 -0.30 1.98 -1.05 -1.26 -5.17 118.70 114.42 1kkd s GLU 4 Ca -0.06 0.02 -0.18 0.00 -0.15 0.00 0.00 54.97 54.60 1kkd s GLU 4 Cb -0.03 0.06 0.20 0.00 -0.44 0.00 0.00 34.13 33.92 1kkd s GLU 4 CO -0.13 -0.04 1.27 -1.17 0.95 0.00 0.00 175.26 176.15 1kkd s LEU 5 N -1.17 -0.07 -0.42 1.83 1.98 -1.26 -5.11 118.68 114.45 1kkd s LEU 5 Ca 0.08 0.11 0.04 0.00 -2.89 0.00 0.00 54.13 51.47 1kkd s LEU 5 Cb -0.01 1.09 0.17 0.00 0.66 0.00 0.00 46.19 48.11 1kkd s LEU 5 CO -0.06 -0.02 0.40 0.28 -1.89 0.00 0.00 176.35 175.06 1kkd s THR 6 N 1.67 0.06 0.97 3.68 -1.32 -1.26 -5.14 115.64 114.31 1kkd s THR 6 Ca -0.03 -2.24 -0.16 0.00 -1.21 0.00 0.00 61.69 58.05 1kkd s THR 6 Cb -0.01 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.22 1kkd s THR 6 CO -0.14 -0.98 0.65 2.29 -2.21 0.00 0.00 174.62 174.23 1kkd n LYS 7 N 2.99 -3.55 -2.01 7.08 2.85 -1.26 -4.77 118.16 119.49 1kkd n LYS 7 Ca 0.26 -1.08 -0.27 0.00 -1.05 0.00 0.00 58.31 56.18 1kkd n LYS 7 Cb 0.49 -1.26 -0.05 0.00 -0.65 0.00 0.00 35.03 33.55 1kkd n LYS 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kkd s ALA 8 N -2.37 1.63 -0.99 0.58 0.00 -1.26 -4.86 121.76 114.50 1kkd s ALA 8 Ca 0.47 -1.37 -0.25 0.00 0.00 0.00 0.00 51.96 50.81 1kkd s ALA 8 Cb -0.07 -4.53 -0.12 0.00 0.00 0.00 0.00 23.12 18.39 1kkd s ALA 8 CO 0.39 -4.82 2.10 -1.83 0.00 0.00 0.00 175.76 171.60 1kkd s GLU 9 N 7.15 1.96 -0.68 0.00 1.03 -1.26 -4.04 118.70 122.87 1kkd s GLU 9 Ca 0.72 -0.34 -0.18 0.00 0.03 0.00 0.00 54.97 55.19 1kkd s GLU 9 Cb -0.08 -5.02 0.03 0.00 -0.80 0.00 0.00 34.13 28.26 1kkd s GLU 9 CO 0.02 -4.32 0.39 1.63 -1.33 0.00 0.00 175.26 171.65 1kkd n LYS 10 N 8.54 -0.59 -2.06 -4.83 5.02 -1.26 -4.71 118.16 118.27 1kkd n LYS 10 Ca 0.43 -0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 56.17 1kkd n LYS 10 Cb 0.46 -1.03 -0.03 0.00 -0.02 0.00 0.00 35.03 34.41 1kkd n LYS 10 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1kkd s HIS 11 N -3.98 2.06 -0.30 2.13 -3.43 -1.26 -4.93 115.29 105.59 1kkd s HIS 11 Ca 0.26 0.33 -0.16 0.00 -0.80 0.00 0.00 55.06 54.69 1kkd s HIS 11 Cb -0.14 -3.89 0.20 0.00 -1.43 0.00 0.00 32.58 27.32 1kkd s HIS 11 CO 0.56 -3.50 1.23 0.54 -2.00 0.00 0.00 174.74 171.57 1kkd s VAL 12 N 4.30 0.00 0.01 -5.38 0.11 -1.26 -5.18 120.40 112.99 1kkd s VAL 12 Ca 0.72 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.77 1kkd s VAL 12 Cb -0.31 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1kkd s VAL 12 CO 0.28 0.00 0.02 1.41 -3.33 0.00 0.00 175.10 173.48 1kkd n HIS 13 N 3.14 -0.80 -1.54 1.54 8.25 -1.26 -5.07 115.22 119.47 1kkd n HIS 13 Ca -0.17 -0.05 -0.35 0.00 -0.26 0.00 0.00 57.72 56.88 1kkd n HIS 13 Cb 0.56 0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.64 1kkd n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1kkd n ASN 14 N -1.46 1.96 -4.47 0.41 2.85 -1.26 -4.91 115.26 108.37 1kkd n ASN 14 Ca -0.00 -0.48 -0.29 0.00 -0.11 0.00 0.00 54.58 53.70 1kkd n ASN 14 Cb 0.02 -1.49 0.15 0.00 1.24 0.00 0.00 39.78 39.70 1kkd n ASN 14 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1kkd s PHE 15 N 11.85 2.13 -0.33 1.20 0.08 -1.26 -4.91 117.98 126.73 1kkd s PHE 15 Ca 1.04 0.56 -0.06 0.00 0.12 0.00 0.00 56.93 58.58 1kkd s PHE 15 Cb -0.33 -3.75 -0.19 0.00 -0.57 0.00 0.00 43.02 38.18 1kkd s PHE 15 CO 0.29 -2.39 3.39 0.00 -0.10 0.00 0.00 175.22 176.41 1kkd n MET 16 N -3.68 2.37 -0.34 0.44 0.00 -1.26 -4.60 117.12 110.05 1kkd n MET 16 Ca 0.11 -1.41 0.17 0.00 0.00 0.00 0.00 57.70 56.57 1kkd n MET 16 Cb 0.60 -2.15 0.39 0.00 0.00 0.00 0.00 33.22 32.06 1kkd n MET 16 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1kkd h MET 17 N 3.33 0.59 -2.98 3.17 2.86 -1.98 -2.82 114.93 117.10 1kkd h MET 17 Ca 0.33 -0.04 -0.67 0.00 -2.06 0.00 0.00 59.70 57.27 1kkd h MET 17 Cb 1.21 -0.13 -0.38 0.00 0.06 0.00 0.00 31.60 32.35 1kkd h MET 17 CO 0.57 0.39 -0.27 -0.25 1.06 0.00 0.00 176.91 178.42 1kkd n ASP 18 N -4.78 3.94 0.25 1.22 8.00 -1.26 -4.92 116.55 119.00 1kkd n ASP 18 Ca 0.25 -3.25 -0.16 0.00 0.71 0.00 0.00 54.79 52.34 1kkd n ASP 18 Cb 0.70 -0.90 -0.08 0.00 -0.02 0.00 0.00 41.12 40.82 1kkd n ASP 18 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1kkd h THR 19 N 3.91 0.18 -0.09 -3.53 1.35 -1.90 -3.43 112.91 109.41 1kkd h THR 19 Ca 0.17 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.01 1kkd h THR 19 Cb 0.74 0.18 -0.14 0.00 -1.73 0.00 0.00 68.15 67.20 1kkd h THR 19 CO 0.85 0.00 -0.08 1.67 -0.25 0.00 0.00 175.52 177.71 1kkd n GLN 20 N -5.50 0.10 -0.95 4.72 7.27 -1.26 -5.04 117.38 116.73 1kkd n GLN 20 Ca -0.10 -0.73 -0.26 0.00 0.07 0.00 0.00 57.00 55.97 1kkd n GLN 20 Cb 0.40 0.01 -0.04 0.00 2.41 0.00 0.00 30.24 33.02 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 2.14 6.23 -2.94 1.69 -0.00 -1.26 -4.69 117.00 118.17 1kkd n LEU 21 Ca 0.07 -3.39 0.00 0.00 -0.00 0.00 0.00 56.01 52.69 1kkd n LEU 21 Cb 0.67 -1.26 0.00 0.00 -0.00 0.00 0.00 43.42 42.83 1kkd n LEU 21 CO -0.12 1.24 -0.44 0.41 -0.00 0.00 0.00 177.39 178.48 1kkd n THR 22 N 3.74 -1.79 -0.34 1.47 -1.04 -1.26 -4.54 114.28 110.52 1kkd n THR 22 Ca 0.56 0.44 0.00 0.00 -2.04 0.00 0.00 64.05 63.01 1kkd n THR 22 Cb 0.25 -2.71 0.00 0.00 -1.82 0.00 0.00 70.33 66.05 1kkd n THR 22 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1kkd n LYS 23 N 1.25 0.00 -4.21 -2.82 0.00 -1.26 -4.73 118.16 106.39 1kkd n LYS 23 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1kkd n LYS 23 Cb 0.44 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.37 1kkd n LYS 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1kkd s ARG 24 N 0.00 0.95 -1.65 -1.58 0.52 -1.26 -4.82 118.95 111.11 1kkd s ARG 24 Ca 0.00 -1.39 -0.08 0.00 -0.52 0.00 0.00 55.73 53.74 1kkd s ARG 24 Cb 0.00 -0.43 0.08 0.00 0.52 0.00 0.00 34.95 35.11 1kkd s ARG 24 CO 0.00 0.03 0.22 0.28 0.02 0.00 0.00 175.30 175.85 1kkd n VAL 25 N -0.11 -0.77 -4.17 3.52 0.31 -1.26 0.11 118.33 115.97 1kkd n VAL 25 Ca -0.11 -0.33 -0.33 0.00 -0.01 0.00 0.00 64.34 63.55 1kkd n VAL 25 Cb 0.61 -0.93 -0.05 0.00 -0.91 0.00 0.00 33.84 32.56 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 -4.42 -1.31 -3.62 5.55 3.00 -1.26 0.18 118.16 116.30 1kkd n LYS 26 Ca -0.18 0.17 -0.22 0.00 -0.00 0.00 0.00 58.31 58.07 1kkd n LYS 26 Cb 0.62 -3.59 0.07 0.00 0.00 0.00 0.00 35.03 32.12 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 -2.76 -3.93 0.00 3.14 5.15 0.31 0.29 115.26 117.46 1kkd n ASN 27 Ca -0.27 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 1kkd n ASN 27 Cb 0.67 -4.71 0.00 0.00 -0.53 0.00 0.00 39.78 35.20 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 -4.57 0.00 -1.95 5.20 0.00 0.33 -2.84 120.51 116.68 1kkd n ALA 28 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1kkd n ALA 28 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.74 0.00 -1.53 0.00 0.00 0.49 -4.92 120.51 115.29 1kkd n ALA 29 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1kkd n ALA 29 Cb 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.95 0.70 -1.19 0.00 0.00 -1.09 0.64 120.51 117.62 1kkd n ALA 30 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 53.44 52.74 1kkd n ALA 30 Cb 0.39 -2.86 -0.03 0.00 0.00 0.00 0.00 19.45 16.95 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 13.62 -5.53 0.00 0.00 3.02 -1.26 -0.87 115.26 124.23 1kkd n ASN 31 Ca 0.46 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.17 1kkd n ASN 31 Cb 0.36 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1kkd n ASN 31 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1kkd n VAL 32 N -2.23 0.00 -1.09 2.41 0.31 0.21 0.22 118.33 118.16 1kkd n VAL 32 Ca -0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.23 1kkd n VAL 32 Cb 0.51 -0.70 -0.01 0.00 -0.91 0.00 0.00 33.84 32.72 1kkd n VAL 32 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1kkd n LEU 33 N 0.00 0.40 0.00 7.52 4.32 -0.05 -4.37 117.00 124.83 1kkd n LEU 33 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1kkd n LEU 33 Cb 0.33 -2.12 0.00 0.00 -1.62 0.00 0.00 43.42 40.01 1kkd n LEU 33 CO 0.00 -0.80 0.00 -1.14 -1.22 0.00 0.00 177.39 174.23 1kkd n ARG 34 N -0.38 0.00 -1.32 3.23 0.63 -0.60 -5.11 116.66 113.12 1kkd n ARG 34 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1kkd n ARG 34 Cb 0.42 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 33.19 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 -1.53 0.00 0.02 -0.14 1.02 0.61 -4.92 120.64 115.69 1kkd n GLU 35 Ca 0.00 0.44 0.11 0.00 -0.02 0.00 0.00 57.16 57.69 1kkd n GLU 35 Cb 0.00 -1.25 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 1kkd n GLU 35 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1kkd n THR 36 N -0.38 0.14 0.58 2.62 5.66 -1.26 -2.76 114.28 118.88 1kkd n THR 36 Ca 0.00 -0.29 0.11 0.00 -3.05 0.00 0.00 64.05 60.83 1kkd n THR 36 Cb 0.00 0.24 0.06 0.00 -1.55 0.00 0.00 70.33 69.07 1kkd n THR 36 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1kkd n TRP 37 N -2.01 0.31 -0.06 1.09 7.02 -1.26 -2.70 117.44 119.83 1kkd n TRP 37 Ca 0.01 0.09 -0.21 0.00 -1.02 0.00 0.00 57.50 56.37 1kkd n TRP 37 Cb 0.46 -0.47 -0.13 0.00 -2.42 0.00 0.00 31.31 28.75 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 -1.98 2.61 0.01 -0.99 7.99 -1.25 -4.41 117.00 118.98 1kkd n LEU 38 Ca 0.02 0.13 -0.13 0.00 -0.01 0.00 0.00 56.01 56.03 1kkd n LEU 38 Cb 0.43 -1.01 -0.09 0.00 -0.11 0.00 0.00 43.42 42.64 1kkd n LEU 38 CO 0.39 0.80 0.66 0.16 -1.51 0.00 0.00 177.39 177.89 1kkd h ILE 39 N -0.16 1.26 -2.38 -0.08 -0.00 -1.67 -3.45 117.51 111.04 1kkd h ILE 39 Ca -0.49 -0.92 -0.15 0.00 -0.00 0.00 0.00 64.86 63.31 1kkd h ILE 39 Cb 1.88 1.87 0.07 0.00 -0.00 0.00 0.00 36.82 40.63 1kkd h ILE 39 CO -0.04 0.23 0.09 0.00 -0.00 0.00 0.00 178.15 178.43 1kkd n TYR 40 N -4.92 -3.60 0.00 0.16 4.11 -1.10 -5.10 117.16 106.72 1kkd n TYR 40 Ca -0.08 -0.39 0.00 0.00 -0.00 0.00 0.00 57.90 57.43 1kkd n TYR 40 Cb 0.22 -0.40 0.00 0.00 -0.00 0.00 0.00 39.34 39.16 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 -2.43 -0.71 0.23 -3.48 -0.00 -1.26 -4.86 118.16 105.65 1kkd n LYS 41 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1kkd n LYS 41 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.24 1kkd n LYS 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1kkd n ASN 42 N 0.00 -3.81 -4.74 -5.58 4.13 -1.26 -5.11 115.26 98.89 1kkd n ASN 42 Ca 0.00 0.87 -0.41 0.00 1.68 0.00 0.00 54.58 56.71 1kkd n ASN 42 Cb 0.00 3.56 -0.02 0.00 -1.54 0.00 0.00 39.78 41.78 1kkd n ASN 42 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1kkd s THR 43 N -2.00 2.62 -0.40 3.41 -1.32 -1.26 -4.97 115.64 111.72 1kkd s THR 43 Ca 0.00 0.51 -0.18 0.00 -1.21 0.00 0.00 61.69 60.81 1kkd s THR 43 Cb 0.00 -3.32 0.01 0.00 -1.51 0.00 0.00 72.50 67.68 1kkd s THR 43 CO 0.00 0.07 0.47 -0.54 -2.21 0.00 0.00 174.62 172.41 1kkd s LYS 44 N -0.10 3.25 -0.98 7.08 -0.14 -1.26 -4.95 119.74 122.64 1kkd s LYS 44 Ca 0.61 -0.58 -0.08 0.00 -1.36 0.00 0.00 55.97 54.56 1kkd s LYS 44 Cb -0.42 -3.92 -0.14 0.00 -1.68 0.00 0.00 37.83 31.66 1kkd s LYS 44 CO 0.41 -0.81 3.04 1.28 -0.76 0.00 0.00 175.35 178.52 1kkd n LEU 45 N 5.69 7.03 -3.21 3.17 4.77 -1.26 -4.47 117.00 128.72 1kkd n LEU 45 Ca -0.06 -3.74 -0.21 0.00 -0.03 0.00 0.00 56.01 51.97 1kkd n LEU 45 Cb 0.48 -1.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.07 1kkd n LEU 45 CO 0.46 1.75 -0.20 0.52 -1.33 0.00 0.00 177.39 178.59 1kkd n VAL 46 N 3.27 -0.87 -2.00 4.08 0.31 -1.26 -5.07 118.33 116.79 1kkd n VAL 46 Ca 0.62 -2.85 -0.26 0.00 -0.01 0.00 0.00 64.34 61.84 1kkd n VAL 46 Cb 0.44 -0.97 -0.05 0.00 -0.91 0.00 0.00 33.84 32.35 1kkd n VAL 46 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1kkd s LYS 47 N 0.18 2.46 -1.12 5.55 1.02 -1.26 -4.84 119.74 121.73 1kkd s LYS 47 Ca 0.32 -0.19 -0.19 0.00 0.02 0.00 0.00 55.97 55.93 1kkd s LYS 47 Cb 0.04 -5.02 -0.06 0.00 -0.52 0.00 0.00 37.83 32.28 1kkd s LYS 47 CO -0.16 -3.47 1.98 0.36 -0.92 0.00 0.00 175.35 173.15 1kkd n LYS 48 N 8.86 2.15 -0.89 1.68 2.85 -1.26 -4.93 118.16 126.62 1kkd n LYS 48 Ca 0.40 -2.38 -0.35 0.00 -1.05 0.00 0.00 58.31 54.93 1kkd n LYS 48 Cb 0.47 -3.26 0.08 0.00 -0.65 0.00 0.00 35.03 31.67 1kkd n LYS 48 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1kkd n ILE 49 N 6.14 0.00 -3.01 0.58 2.08 -1.26 -5.00 119.36 118.88 1kkd n ILE 49 Ca 0.49 -0.27 0.03 0.00 0.56 0.00 0.00 62.75 63.57 1kkd n ILE 49 Cb 0.42 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.04 1kkd n ILE 49 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1kkd s ASP 50 N -1.41 -0.64 -0.05 4.38 2.15 -1.26 -5.06 116.67 114.78 1kkd s ASP 50 Ca 0.46 -0.12 -0.09 0.00 0.43 0.00 0.00 52.55 53.24 1kkd s ASP 50 Cb -0.11 1.10 -0.03 0.00 -0.30 0.00 0.00 42.92 43.58 1kkd s ASP 50 CO 0.72 -0.09 -0.17 1.57 -0.17 0.00 0.00 175.17 177.02 1kkd n HIS 51 N 4.52 0.00 -3.62 -5.34 -0.00 -1.26 -5.08 115.22 104.44 1kkd n HIS 51 Ca 0.08 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.23 1kkd n HIS 51 Cb 0.59 -0.25 -0.06 0.00 -0.12 0.00 0.00 29.99 30.15 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1kkd s ALA 52 N -2.50 -2.24 -0.17 1.57 0.00 -1.26 -5.07 121.76 112.10 1kkd s ALA 52 Ca -0.14 2.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.89 1kkd s ALA 52 Cb 0.02 -1.69 -0.13 0.00 0.00 0.00 0.00 23.12 21.32 1kkd s ALA 52 CO 0.21 -0.42 0.14 0.87 0.00 0.00 0.00 175.76 176.56 1kkd h LYS 53 N 6.39 0.00 0.00 0.00 1.79 -2.02 -3.49 116.57 119.24 1kkd h LYS 53 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1kkd h LYS 53 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1kkd h LYS 53 CO 0.18 0.61 0.00 1.55 -1.08 0.00 0.00 179.45 180.71 1kkd n VAL 54 N -4.54 0.00 -2.78 0.50 3.14 -1.26 -5.10 118.33 108.29 1kkd n VAL 54 Ca -0.19 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.17 1kkd n VAL 54 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 1kkd n VAL 54 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1kkd n ARG 55 N 0.00 -3.10 -4.77 1.45 5.12 -1.26 -5.03 116.66 109.07 1kkd n ARG 55 Ca 0.00 2.54 -0.30 0.00 -1.93 0.00 0.00 57.85 58.16 1kkd n ARG 55 Cb 0.00 -5.17 -0.14 0.00 -1.16 0.00 0.00 32.46 25.99 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 -1.81 1.80 -0.68 5.56 0.00 -1.26 -5.08 119.74 118.27 1kkd s LYS 56 Ca 0.06 -1.12 0.05 0.00 0.00 0.00 0.00 55.97 54.96 1kkd s LYS 56 Cb -0.01 -2.01 0.20 0.00 0.00 0.00 0.00 37.83 36.01 1kkd s LYS 56 CO 0.74 0.51 0.61 1.58 0.00 0.00 0.00 175.35 178.79 1kkd n HIS 57 N 1.59 3.44 -2.37 1.78 -0.00 -1.26 -5.08 115.22 113.32 1kkd n HIS 57 Ca -0.17 -4.25 -0.24 0.00 0.46 0.00 0.00 57.72 53.52 1kkd n HIS 57 Cb 0.52 -0.60 0.06 0.00 -0.12 0.00 0.00 29.99 29.85 1kkd n HIS 57 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1kkd s GLN 58 N -1.91 2.32 0.41 1.57 -1.52 -1.26 -4.95 119.66 114.32 1kkd s GLN 58 Ca 0.31 -0.47 0.00 0.00 -1.95 0.00 0.00 55.36 53.26 1kkd s GLN 58 Cb 0.04 -2.29 0.00 0.00 -0.22 0.00 0.00 33.01 30.54 1kkd s GLN 58 CO -0.10 -1.04 0.00 -2.13 -0.25 0.00 0.00 175.29 171.77 1kkd n ARG 59 N -2.70 -3.19 -3.82 2.91 0.00 -1.26 -5.09 116.66 103.51 1kkd n ARG 59 Ca 0.08 2.42 -0.08 0.00 -0.00 0.00 0.00 57.85 60.27 1kkd n ARG 59 Cb 0.60 -2.86 0.03 0.00 0.00 0.00 0.00 32.46 30.23 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 -4.66 2.14 0.08 -0.14 0.00 -1.26 -5.17 119.74 110.74 1kkd s LYS 60 Ca 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 55.97 54.55 1kkd s LYS 60 Cb 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 37.83 38.37 1kkd s LYS 60 CO 0.00 -1.01 0.28 -0.06 0.00 0.00 0.00 175.35 174.56 1kkd s PHE 61 N -2.14 3.51 0.28 1.78 0.08 -1.26 -5.11 117.98 115.12 1kkd s PHE 61 Ca 0.17 0.41 0.04 0.00 0.12 0.00 0.00 56.93 57.67 1kkd s PHE 61 Cb -0.05 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 1kkd s PHE 61 CO 0.11 0.54 0.22 -0.48 -0.10 0.00 0.00 175.22 175.51 1kkd s LEU 62 N -2.44 1.53 1.23 -0.37 2.34 -1.26 -5.15 118.68 114.55 1kkd s LEU 62 Ca 0.36 -1.62 -0.16 0.00 0.06 0.00 0.00 54.13 52.77 1kkd s LEU 62 Cb -0.13 0.49 0.28 0.00 -0.56 0.00 0.00 46.19 46.27 1kkd s LEU 62 CO 0.25 -0.98 0.79 0.00 -1.06 0.00 0.00 176.35 175.35 1kkd n GLN 63 N -0.49 -2.81 -2.91 1.48 3.00 -1.26 -5.04 117.38 109.34 1kkd n GLN 63 Ca 0.05 -0.80 0.04 0.00 -0.01 0.00 0.00 57.00 56.28 1kkd n GLN 63 Cb 0.64 -2.02 0.00 0.00 0.00 0.00 0.00 30.24 28.86 1kkd n GLN 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kkd s ALA 64 N -2.31 -4.75 -0.22 -1.58 0.00 -1.26 -5.07 121.76 106.58 1kkd s ALA 64 Ca 0.65 1.49 -0.03 0.00 0.00 0.00 0.00 51.96 54.08 1kkd s ALA 64 Cb -0.21 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 19.92 1kkd s ALA 64 CO 0.64 -2.37 0.06 -0.89 0.00 0.00 0.00 175.76 173.20 1kkd n ILE 65 N 4.29-10.21 -3.47 0.00 5.41 -1.26 -4.98 119.36 109.14 1kkd n ILE 65 Ca 0.08 1.78 -0.26 0.00 1.00 0.00 0.00 62.75 65.34 1kkd n ILE 65 Cb 0.62 -6.04 -0.09 0.00 -0.71 0.00 0.00 39.64 33.42 1kkd n ILE 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1kkd n HIS 66 N 1.13 1.24 -3.83 1.39 8.25 -1.26 -5.08 115.22 117.07 1kkd n HIS 66 Ca -0.10 -3.80 -0.12 0.00 -0.26 0.00 0.00 57.72 53.44 1kkd n HIS 66 Cb 0.23 -0.29 -0.09 0.00 1.12 0.00 0.00 29.99 30.95 1kkd n HIS 66 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1kkd s GLN 67 N -1.21 0.54 -0.28 -0.41 -0.21 -1.26 -5.16 119.66 111.68 1kkd s GLN 67 Ca 0.33 -0.29 -0.18 0.00 0.02 0.00 0.00 55.36 55.25 1kkd s GLN 67 Cb 0.08 0.23 0.09 0.00 1.00 0.00 0.00 33.01 34.41 1kkd s GLN 67 CO -0.13 -0.14 0.75 -0.48 -2.12 0.00 0.00 175.29 173.18 1kkd s LEU 68 N -1.29 -0.83 0.00 2.90 2.34 -1.26 -5.17 118.68 115.37 1kkd s LEU 68 Ca -0.14 1.37 0.00 0.00 0.06 0.00 0.00 54.13 55.43 1kkd s LEU 68 Cb -0.06 2.28 0.00 0.00 -0.56 0.00 0.00 46.19 47.85 1kkd s LEU 68 CO 0.03 -0.22 0.00 -2.11 -1.06 0.00 0.00 176.35 172.98 1kkd n ARG 69 N 3.87 0.00 -3.72 1.48 1.85 -1.26 -5.19 116.66 113.69 1kkd n ARG 69 Ca -0.18 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.62 1kkd n ARG 69 Cb 0.58 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.97 1kkd n ARG 69 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1kkd s SER 70 N 0.00 -0.23 -0.00 2.89 0.01 -1.26 -5.04 113.70 110.08 1kkd s SER 70 Ca 0.00 -0.36 0.09 0.00 1.31 0.00 0.00 55.95 56.99 1kkd s SER 70 Cb 0.00 0.51 -0.10 0.00 0.21 0.00 0.00 66.02 66.64 1kkd s SER 70 CO 0.00 -0.93 0.38 0.55 0.41 0.00 0.00 173.24 173.65 1kkd n VAL 71 N -0.44 0.00 -3.30 3.43 3.14 -1.26 -5.04 118.33 114.87 1kkd n VAL 71 Ca -0.07 -0.28 -0.13 0.00 -2.96 0.00 0.00 64.34 60.90 1kkd n VAL 71 Cb 0.61 0.97 0.01 0.00 -1.06 0.00 0.00 33.84 34.36 1kkd n VAL 71 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1kkd n LYS 72 N -1.24 -1.61 -1.02 1.45 4.01 -1.26 -4.69 118.16 113.79 1kkd n LYS 72 Ca 0.02 1.36 0.12 0.00 -0.51 0.00 0.00 58.31 59.29 1kkd n LYS 72 Cb 0.15 -4.31 -0.04 0.00 -0.51 0.00 0.00 35.03 30.32 1kkd n LYS 72 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1kkd n MET 73 N -1.65 -1.89 -3.68 1.97 2.81 -1.26 -4.70 117.12 108.72 1kkd n MET 73 Ca -0.09 1.36 -0.37 0.00 -1.81 0.00 0.00 57.70 56.79 1kkd n MET 73 Cb 0.57 -2.40 -0.12 0.00 -0.71 0.00 0.00 33.22 30.56 1kkd n MET 73 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1kkd s GLU 74 N -2.68 3.79 0.76 0.03 2.02 -1.26 -5.07 118.70 116.29 1kkd s GLU 74 Ca 0.00 -0.40 -0.16 0.00 0.02 0.00 0.00 54.97 54.43 1kkd s GLU 74 Cb 0.00 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 1kkd s GLU 74 CO 0.00 -0.18 0.34 0.00 0.02 0.00 0.00 175.26 175.43 1kkd n GLN 75 N 4.98 0.17 -3.62 1.61 10.64 -1.26 -5.01 117.38 124.88 1kkd n GLN 75 Ca -0.15 0.09 -0.03 0.00 -1.83 0.00 0.00 57.00 55.08 1kkd n GLN 75 Cb 0.52 -1.68 -0.06 0.00 -0.86 0.00 0.00 30.24 28.15 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 -2.65 0.50 0.06 2.61 1.70 -1.26 -5.17 118.95 114.73 1kkd s ARG 76 Ca 0.61 0.92 -0.26 0.00 -0.47 0.00 0.00 55.73 56.53 1kkd s ARG 76 Cb -0.33 0.20 0.09 0.00 -0.57 0.00 0.00 34.95 34.34 1kkd s ARG 76 CO 0.62 -0.11 1.20 -1.59 -1.08 0.00 0.00 175.30 174.33 1kkd s LYS 77 N 1.67 0.72 0.45 3.89 0.00 -1.26 -5.15 119.74 120.05 1kkd s LYS 77 Ca -0.09 -0.46 0.00 0.00 0.00 0.00 0.00 55.97 55.43 1kkd s LYS 77 Cb -0.05 0.20 0.00 0.00 0.00 0.00 0.00 37.83 37.98 1kkd s LYS 77 CO -0.17 -0.33 0.00 1.28 0.00 0.00 0.00 175.35 176.12 1kkd n LEU 78 N -0.79 0.00 -4.14 2.77 4.32 -1.26 -4.75 117.00 113.15 1kkd n LEU 78 Ca 0.00 0.08 -0.36 0.00 -0.02 0.00 0.00 56.01 55.71 1kkd n LEU 78 Cb 0.59 -0.30 -0.04 0.00 -1.62 0.00 0.00 43.42 42.05 1kkd n LEU 78 CO 0.17 -0.47 -0.30 -3.20 -1.22 0.00 0.00 177.39 172.36 1kkd n ASN 79 N -3.87 -1.50 -3.65 -1.43 5.15 -1.26 -4.93 115.26 103.77 1kkd n ASN 79 Ca 0.00 -1.23 -0.14 0.00 -0.60 0.00 0.00 54.58 52.61 1kkd n ASN 79 Cb 0.03 -1.95 -0.07 0.00 -0.53 0.00 0.00 39.78 37.27 1kkd n ASN 79 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1kkd s ASP 80 N -4.01 -0.36 0.45 1.20 1.01 -1.26 -5.13 116.67 108.56 1kkd s ASP 80 Ca 0.21 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.68 1kkd s ASP 80 Cb -0.11 0.43 0.00 0.00 1.01 0.00 0.00 42.92 44.25 1kkd s ASP 80 CO 0.97 -0.60 0.00 0.00 0.21 0.00 0.00 175.17 175.74 1kkd n GLN 81 N 0.79 -2.89 -4.07 8.23 6.02 -1.26 -5.04 117.38 119.16 1kkd n GLN 81 Ca -0.19 2.17 -0.14 0.00 -0.01 0.00 0.00 57.00 58.83 1kkd n GLN 81 Cb 0.58 -3.45 -0.04 0.00 1.02 0.00 0.00 30.24 28.35 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kkd s ALA 82 N -3.19 0.59 -0.33 -1.58 0.00 -1.26 -5.14 121.76 110.86 1kkd s ALA 82 Ca 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 1kkd s ALA 82 Cb 0.00 1.13 0.13 0.00 0.00 0.00 0.00 23.12 24.38 1kkd s ALA 82 CO 0.00 -0.80 0.22 0.54 0.00 0.00 0.00 175.76 175.73 1kkd s ASN 83 N -3.20 2.66 -0.76 0.00 4.22 -1.26 -5.03 114.94 111.57 1kkd s ASN 83 Ca 0.29 -1.59 0.03 0.00 -2.14 0.00 0.00 52.86 49.45 1kkd s ASN 83 Cb -0.00 -0.09 0.32 0.00 1.28 0.00 0.00 41.25 42.76 1kkd s ASN 83 CO 0.18 -0.35 1.25 0.35 -2.04 0.00 0.00 177.10 176.49 1kkd n THR 84 N 4.65 4.16 -0.26 0.54 -2.24 -1.26 -4.54 114.28 115.33 1kkd n THR 84 Ca 0.04 -5.71 0.00 0.00 -2.27 0.00 0.00 64.05 56.11 1kkd n THR 84 Cb 0.41 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 0.01 0.97 -2.87 3.22 -0.00 -1.26 -4.62 117.00 112.45 1kkd n LEU 85 Ca 0.36 -0.97 -0.30 0.00 -0.00 0.00 0.00 56.01 55.10 1kkd n LEU 85 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.76 1kkd n LEU 85 CO 0.43 0.24 0.48 0.52 -0.00 0.00 0.00 177.39 179.06 1kkd n VAL 86 N -0.12 3.29 -2.91 1.47 0.31 -1.26 -4.91 118.33 114.21 1kkd n VAL 86 Ca 0.00 -5.28 -0.06 0.00 -0.01 0.00 0.00 64.34 58.99 1kkd n VAL 86 Cb 0.14 -1.36 0.01 0.00 -0.91 0.00 0.00 33.84 31.72 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 -0.34 -7.92 0.28 4.52 9.92 -1.26 -4.84 116.55 116.91 1kkd n ASP 87 Ca 0.38 0.38 0.14 0.00 -0.53 0.00 0.00 54.79 55.16 1kkd n ASP 87 Cb 0.45 -5.38 0.86 0.00 -0.64 0.00 0.00 41.12 36.40 1kkd n ASP 87 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 1kkd h LEU 88 N 1.59 0.00 -5.16 0.64 8.10 -1.91 -3.38 115.31 115.20 1kkd h LEU 88 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.07 1kkd h LEU 88 Cb 1.00 0.00 -0.17 0.00 -0.44 0.00 0.00 40.66 41.05 1kkd h LEU 88 CO 0.23 0.00 -0.13 0.00 -4.11 0.00 0.00 178.44 174.43 1kkd s ALA 89 N -4.73 -4.37 0.05 0.17 0.00 -1.26 -5.14 121.76 106.47 1kkd s ALA 89 Ca -0.05 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1kkd s ALA 89 Cb 0.16 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1kkd s ALA 89 CO 0.57 -2.50 0.00 1.63 0.00 0.00 0.00 175.76 175.47 1kkd n LYS 90 N 3.35 -0.40 0.00 0.00 4.76 -1.26 -4.97 118.16 119.63 1kkd n LYS 90 Ca 0.08 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1kkd n LYS 90 Cb 0.64 -0.49 0.00 0.00 -1.84 0.00 0.00 35.03 33.33 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 -1.86 0.00 0.00 -0.18 5.66 -1.26 -4.82 114.28 111.82 1kkd n THR 91 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kkd n THR 91 Cb 0.09 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02