#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 0.00 -3.86 -0.14 3.00 -1.26 -5.13 118.16 110.77 1kkd n LYS 2 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1kkd n LYS 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 1kkd n LYS 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1kkd s LEU 3 N -1.99 0.00 0.45 3.14 1.43 -1.26 -5.18 118.68 115.27 1kkd s LEU 3 Ca 0.00 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.39 1kkd s LEU 3 Cb 0.00 2.28 0.01 0.00 0.03 0.00 0.00 46.19 48.51 1kkd s LEU 3 CO 0.00 -1.17 0.51 -1.83 0.23 0.00 0.00 176.35 174.09 1kkd s GLU 4 N -2.22 2.59 -0.17 1.70 -1.05 -1.26 -5.13 118.70 113.15 1kkd s GLU 4 Ca 0.20 -1.48 -0.32 0.00 -0.15 0.00 0.00 54.97 53.22 1kkd s GLU 4 Cb -0.03 -2.53 0.14 0.00 -0.44 0.00 0.00 34.13 31.27 1kkd s GLU 4 CO 0.07 -0.35 1.12 -1.17 0.95 0.00 0.00 175.26 175.89 1kkd s LEU 5 N -4.30 -0.22 -0.33 1.83 0.20 -1.26 -5.13 118.68 109.47 1kkd s LEU 5 Ca 0.51 0.13 -0.01 0.00 0.69 0.00 0.00 54.13 55.45 1kkd s LEU 5 Cb -0.06 1.57 0.07 0.00 -0.43 0.00 0.00 46.19 47.34 1kkd s LEU 5 CO 0.31 -0.29 0.05 0.28 -0.29 0.00 0.00 176.35 176.41 1kkd s THR 6 N -1.87 2.98 1.39 3.68 -1.32 -1.26 -5.10 115.64 114.14 1kkd s THR 6 Ca 0.05 -1.62 -0.22 0.00 -1.21 0.00 0.00 61.69 58.69 1kkd s THR 6 Cb -0.01 -2.83 0.35 0.00 -1.51 0.00 0.00 72.50 68.50 1kkd s THR 6 CO -0.04 -0.28 0.97 -1.59 -2.21 0.00 0.00 174.62 171.47 1kkd s LYS 7 N 1.20 -2.65 -1.28 7.08 -2.85 -1.26 -4.85 119.74 115.11 1kkd s LYS 7 Ca -0.01 0.07 -0.13 0.00 -1.00 0.00 0.00 55.97 54.90 1kkd s LYS 7 Cb -0.20 -1.42 0.13 0.00 -2.06 0.00 0.00 37.83 34.28 1kkd s LYS 7 CO -0.02 -4.68 1.74 0.00 0.10 0.00 0.00 175.35 172.48 1kkd n ALA 8 N -5.48 4.52 -0.32 0.59 0.00 -1.26 -4.71 120.51 113.85 1kkd n ALA 8 Ca 0.13 -4.15 -0.06 0.00 0.00 0.00 0.00 53.44 49.36 1kkd n ALA 8 Cb 0.60 -3.19 0.18 0.00 0.00 0.00 0.00 19.45 17.04 1kkd n ALA 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1kkd n GLU 9 N 5.62 2.62 -0.07 0.00 0.00 -1.26 -3.84 120.64 123.71 1kkd n GLU 9 Ca 0.42 -1.96 -0.09 0.00 0.00 0.00 0.00 57.16 55.52 1kkd n GLU 9 Cb 0.41 -1.87 -0.07 0.00 0.00 0.00 0.00 31.44 29.91 1kkd n GLU 9 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1kkd n LYS 10 N -0.09 0.53 -3.16 5.31 2.85 -1.26 -5.07 118.16 117.26 1kkd n LYS 10 Ca 0.28 0.07 -0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1kkd n LYS 10 Cb 1.06 -1.27 -0.00 0.00 -0.65 0.00 0.00 35.03 34.17 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 -2.85 -0.19 -3.67 5.58 -0.00 -1.25 -4.94 115.22 107.90 1kkd n HIS 11 Ca -0.24 0.09 -0.28 0.00 0.46 0.00 0.00 57.72 57.75 1kkd n HIS 11 Cb 0.77 -1.14 -0.12 0.00 -0.12 0.00 0.00 29.99 29.38 1kkd n HIS 11 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1kkd s VAL 12 N -0.99 1.53 -0.99 3.57 -7.23 -1.26 -4.99 120.40 110.04 1kkd s VAL 12 Ca -0.00 -3.15 -0.01 0.00 -1.81 0.00 0.00 61.98 57.02 1kkd s VAL 12 Cb 0.00 -2.04 0.32 0.00 0.56 0.00 0.00 36.38 35.22 1kkd s VAL 12 CO 0.04 -1.05 1.71 1.41 -0.31 0.00 0.00 175.10 176.90 1kkd n HIS 13 N 2.80 2.83 -0.70 2.82 8.25 -1.26 -4.69 115.22 125.27 1kkd n HIS 13 Ca 0.19 -2.69 -0.11 0.00 -0.26 0.00 0.00 57.72 54.85 1kkd n HIS 13 Cb 0.39 -1.14 0.21 0.00 1.12 0.00 0.00 29.99 30.57 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 0.07 4.02 -4.68 0.41 2.85 -1.26 -4.98 115.26 111.69 1kkd n ASN 14 Ca 0.43 -3.11 -0.43 0.00 -0.11 0.00 0.00 54.58 51.36 1kkd n ASN 14 Cb 0.28 -0.73 -0.01 0.00 1.24 0.00 0.00 39.78 40.55 1kkd n ASN 14 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1kkd n PHE 15 N -0.38 2.16 -1.35 1.20 7.35 -1.26 -4.63 117.46 120.55 1kkd n PHE 15 Ca 0.40 0.53 -0.32 0.00 -0.76 0.00 0.00 57.45 57.29 1kkd n PHE 15 Cb 1.31 -2.42 -0.16 0.00 0.35 0.00 0.00 39.48 38.56 1kkd n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1kkd n MET 16 N 1.06 0.00 -0.00 -4.13 0.00 -1.26 -4.74 117.12 108.05 1kkd n MET 16 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.66 1kkd n MET 16 Cb 0.34 -1.21 -0.05 0.00 0.00 0.00 0.00 33.22 32.29 1kkd n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kkd h MET 17 N 10.52 0.13 -6.52 3.17 -0.00 -1.96 -3.47 114.93 116.79 1kkd h MET 17 Ca -0.02 -0.01 -0.36 0.00 -0.00 0.00 0.00 59.70 59.31 1kkd h MET 17 Cb 1.13 -0.03 0.02 0.00 -0.00 0.00 0.00 31.60 32.72 1kkd h MET 17 CO 1.31 0.12 -1.19 -0.25 -0.00 0.00 0.00 176.91 176.90 1kkd n ASP 18 N -5.00 -5.63 0.09 -0.10 9.92 -1.26 -4.87 116.55 109.70 1kkd n ASP 18 Ca -0.05 -0.11 -0.13 0.00 -0.53 0.00 0.00 54.79 53.97 1kkd n ASP 18 Cb 0.04 -1.74 -0.11 0.00 -0.64 0.00 0.00 41.12 38.67 1kkd n ASP 18 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1kkd h THR 19 N 2.19 1.53 0.00 -3.53 1.35 -2.01 -3.45 112.91 108.99 1kkd h THR 19 Ca -0.52 -3.03 0.00 0.00 -0.55 0.00 0.00 66.41 62.31 1kkd h THR 19 Cb 1.38 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 70.62 1kkd h THR 19 CO 0.22 0.88 0.00 0.00 -0.25 0.00 0.00 175.52 176.37 1kkd n GLN 20 N -3.53 0.00 -0.01 4.72 6.02 -1.26 -5.07 117.38 118.24 1kkd n GLN 20 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.91 1kkd n GLN 20 Cb 0.97 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 32.21 1kkd n GLN 20 CO 0.00 0.00 0.00 1.37 -1.01 0.00 0.00 177.06 177.42 1kkd h LEU 21 N 0.00 -0.26 -3.04 1.08 8.10 -2.00 -3.46 115.31 115.73 1kkd h LEU 21 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.02 1kkd h LEU 21 Cb 0.00 0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.32 1kkd h LEU 21 CO 0.00 -0.06 -0.85 0.41 -4.11 0.00 0.00 178.44 173.83 1kkd n THR 22 N -3.05 -1.75 -0.65 0.15 -1.04 -1.26 -4.86 114.28 101.82 1kkd n THR 22 Ca -0.01 0.42 -0.29 0.00 -2.04 0.00 0.00 64.05 62.14 1kkd n THR 22 Cb 0.05 -2.69 0.22 0.00 -1.82 0.00 0.00 70.33 66.09 1kkd n THR 22 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1kkd s LYS 23 N -0.85 -0.14 0.05 -2.82 -2.85 -1.26 -5.05 119.74 106.82 1kkd s LYS 23 Ca 0.00 1.06 -0.04 0.00 -1.00 0.00 0.00 55.97 56.00 1kkd s LYS 23 Cb 0.00 -1.63 -0.02 0.00 -2.06 0.00 0.00 37.83 34.12 1kkd s LYS 23 CO 0.00 -3.26 0.05 1.03 0.10 0.00 0.00 175.35 173.26 1kkd s ARG 24 N -4.56 0.63 -0.75 1.78 0.52 -1.26 -4.94 118.95 110.36 1kkd s ARG 24 Ca 0.67 -1.00 -0.02 0.00 -0.52 0.00 0.00 55.73 54.86 1kkd s ARG 24 Cb -0.24 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1kkd s ARG 24 CO 0.62 -0.15 0.56 1.55 0.02 0.00 0.00 175.30 177.91 1kkd n VAL 25 N 0.36 -3.03 0.00 3.52 3.14 -1.26 -1.37 118.33 119.69 1kkd n VAL 25 Ca -0.16 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1kkd n VAL 25 Cb 0.60 -2.70 0.00 0.00 -1.06 0.00 0.00 33.84 30.68 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 -2.37 0.00 -2.69 1.45 4.01 -1.26 -1.26 118.16 116.04 1kkd n LYS 26 Ca -0.30 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.46 1kkd n LYS 26 Cb 0.65 0.00 0.04 0.00 -0.51 0.00 0.00 35.03 35.21 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 2.78 -1.95 0.00 4.39 2.85 -0.86 -4.90 115.26 117.58 1kkd n ASN 27 Ca 0.00 -1.71 0.00 0.00 -0.11 0.00 0.00 54.58 52.76 1kkd n ASN 27 Cb 0.00 1.03 0.00 0.00 1.24 0.00 0.00 39.78 42.05 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 2.35 0.00 -1.73 5.20 0.00 -0.47 -3.06 120.51 122.80 1kkd n ALA 28 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1kkd n ALA 28 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 0.51 0.00 -1.50 0.00 0.00 -0.39 -4.92 120.51 114.20 1kkd n ALA 29 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1kkd n ALA 29 Cb 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.58 0.66 -1.39 0.00 0.00 -1.17 0.11 120.51 117.13 1kkd n ALA 30 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 53.44 52.81 1kkd n ALA 30 Cb 0.37 -2.70 -0.06 0.00 0.00 0.00 0.00 19.45 17.06 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 12.47 -5.04 -1.37 0.00 3.02 -1.26 -0.93 115.26 122.14 1kkd n ASN 31 Ca 0.49 0.36 -0.13 0.00 -0.03 0.00 0.00 54.58 55.26 1kkd n ASN 31 Cb 0.28 -4.13 -0.06 0.00 -0.61 0.00 0.00 39.78 35.26 1kkd n ASN 31 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1kkd n VAL 32 N -2.14 0.00 0.00 2.41 0.24 0.30 0.11 118.33 119.25 1kkd n VAL 32 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1kkd n VAL 32 Cb 0.58 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 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 -1.86 0.00 -0.24 1.34 -0.00 -0.11 -4.27 117.00 111.85 1kkd n LEU 33 Ca -0.13 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.03 1kkd n LEU 33 Cb 0.44 0.00 0.44 0.00 -0.00 0.00 0.00 43.42 44.30 1kkd n LEU 33 CO 0.20 0.00 1.22 0.03 -0.00 0.00 0.00 177.39 178.84 1kkd h ARG 34 N 0.00 0.53 -6.53 1.96 2.47 -1.85 -3.46 114.38 107.51 1kkd h ARG 34 Ca 0.00 -0.03 -0.45 0.00 -1.26 0.00 0.00 59.98 58.24 1kkd h ARG 34 Cb 0.00 -0.12 0.02 0.00 -1.65 0.00 0.00 29.97 28.22 1kkd h ARG 34 CO 0.00 0.35 -0.92 -0.85 0.56 0.00 0.00 179.97 179.11 1kkd n GLU 35 N -4.54 -1.09 -0.00 0.04 0.28 0.30 -4.88 120.64 110.75 1kkd n GLU 35 Ca 0.18 0.59 0.07 0.00 -0.16 0.00 0.00 57.16 57.83 1kkd n GLU 35 Cb 0.56 -3.16 -0.08 0.00 1.43 0.00 0.00 31.44 30.19 1kkd n GLU 35 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1kkd n THR 36 N -3.55 0.00 0.83 3.84 -2.24 -1.26 -3.78 114.28 108.12 1kkd n THR 36 Ca -0.18 -0.18 0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1kkd n THR 36 Cb 0.61 0.94 0.10 0.00 -2.10 0.00 0.00 70.33 69.88 1kkd n THR 36 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1kkd n TRP 37 N -1.38 0.12 -0.12 4.78 7.02 -1.26 -2.23 117.44 124.37 1kkd n TRP 37 Ca 0.02 0.04 -0.25 0.00 -1.02 0.00 0.00 57.50 56.29 1kkd n TRP 37 Cb 0.23 -0.29 -0.11 0.00 -2.42 0.00 0.00 31.31 28.72 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 -1.69 1.91 -0.38 -0.99 7.99 -1.26 -4.16 117.00 118.42 1kkd n LEU 38 Ca 0.04 0.39 0.09 0.00 -0.01 0.00 0.00 56.01 56.52 1kkd n LEU 38 Cb 0.37 -0.92 0.39 0.00 -0.11 0.00 0.00 43.42 43.16 1kkd n LEU 38 CO 0.38 0.40 0.77 2.30 -1.51 0.00 0.00 177.39 179.73 1kkd n ILE 39 N -4.35 0.17 -0.82 -0.08 -6.64 -1.25 -4.93 119.36 101.47 1kkd n ILE 39 Ca -0.41 -0.25 -0.33 0.00 -1.77 0.00 0.00 62.75 60.00 1kkd n ILE 39 Cb 0.76 0.16 0.11 0.00 -1.44 0.00 0.00 39.64 39.23 1kkd n ILE 39 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1kkd n TYR 40 N -0.00 -1.87 -0.46 4.28 4.11 -0.95 -5.01 117.16 117.25 1kkd n TYR 40 Ca 0.14 0.20 0.00 0.00 -0.00 0.00 0.00 57.90 58.25 1kkd n TYR 40 Cb 0.24 -1.74 0.00 0.00 -0.00 0.00 0.00 39.34 37.84 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 -1.24 2.01 0.09 -3.48 2.85 -1.26 -5.04 118.16 112.09 1kkd n LYS 41 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1kkd n LYS 41 Cb 0.54 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.92 1kkd n LYS 41 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1kkd n ASN 42 N 0.00 -0.45 0.03 -5.58 2.85 -1.26 -5.08 115.26 105.77 1kkd n ASN 42 Ca 0.00 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 1kkd n ASN 42 Cb 0.00 0.57 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1kkd n ASN 42 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1kkd n THR 43 N -3.07 0.00 -2.91 -0.44 5.66 -1.26 -5.10 114.28 107.16 1kkd n THR 43 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1kkd n THR 43 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1kkd n THR 43 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1kkd n LYS 44 N -2.48 -2.28 -2.77 1.09 4.76 -1.26 -4.88 118.16 110.34 1kkd n LYS 44 Ca 0.00 2.03 -0.39 0.00 -2.87 0.00 0.00 58.31 57.08 1kkd n LYS 44 Cb 0.00 -3.75 0.01 0.00 -1.84 0.00 0.00 35.03 29.44 1kkd n LYS 44 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1kkd n LEU 45 N 0.88 6.66 -3.96 -0.35 -0.00 -1.26 -4.93 117.00 114.04 1kkd n LEU 45 Ca 0.00 -5.41 -0.36 0.00 -0.00 0.00 0.00 56.01 50.24 1kkd n LEU 45 Cb 0.21 -1.08 -0.08 0.00 -0.00 0.00 0.00 43.42 42.47 1kkd n LEU 45 CO 0.29 2.04 1.68 1.33 -0.00 0.00 0.00 177.39 182.73 1kkd n VAL 46 N 0.16 1.21 -2.57 1.47 0.24 -1.26 -4.89 118.33 112.69 1kkd n VAL 46 Ca 0.41 -1.14 -0.37 0.00 -2.04 0.00 0.00 64.34 61.20 1kkd n VAL 46 Cb 0.30 -2.17 -0.04 0.00 -1.47 0.00 0.00 33.84 30.45 1kkd n VAL 46 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1kkd s LYS 47 N 6.28 4.25 -0.37 7.34 3.01 -1.26 -4.91 119.74 134.08 1kkd s LYS 47 Ca 0.66 1.50 -0.28 0.00 -1.01 0.00 0.00 55.97 56.84 1kkd s LYS 47 Cb 0.08 -2.61 -0.07 0.00 -1.01 0.00 0.00 37.83 34.22 1kkd s LYS 47 CO 0.18 -0.06 2.31 0.36 0.51 0.00 0.00 175.35 178.65 1kkd n LYS 48 N 0.08 1.42 -0.30 1.68 -0.00 -1.26 -4.92 118.16 114.86 1kkd n LYS 48 Ca 0.04 0.28 -0.25 0.00 -0.00 0.00 0.00 58.31 58.38 1kkd n LYS 48 Cb 0.49 -3.15 0.23 0.00 -0.00 0.00 0.00 35.03 32.61 1kkd n LYS 48 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1kkd n ILE 49 N 7.77 0.00 0.00 0.58 -5.35 -1.26 -3.70 119.36 117.41 1kkd n ILE 49 Ca 0.36 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.76 1kkd n ILE 49 Cb 0.44 -0.87 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 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 -5.19 0.00 -3.62 7.28 -0.08 -1.26 -4.71 116.55 108.98 1kkd n ASP 50 Ca 0.11 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.18 1kkd n ASP 50 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1kkd n ASP 50 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1kkd n HIS 51 N 0.00 -2.30 -1.12 -0.67 -0.00 -1.24 -4.78 115.22 105.10 1kkd n HIS 51 Ca 0.00 0.93 -0.37 0.00 -0.00 0.00 0.00 57.72 58.28 1kkd n HIS 51 Cb 0.00 -2.93 0.03 0.00 -0.00 0.00 0.00 29.99 27.09 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kkd n ALA 52 N -2.18 -4.25 -1.00 1.57 0.00 -1.26 -4.97 120.51 108.41 1kkd n ALA 52 Ca -0.23 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1kkd n ALA 52 Cb 0.66 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1kkd n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1kkd n LYS 53 N 1.90 0.00 -3.13 0.00 3.00 -1.26 -5.06 118.16 113.61 1kkd n LYS 53 Ca 0.03 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.39 1kkd n LYS 53 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 35.47 1kkd n LYS 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1kkd s VAL 54 N 0.00 -0.44 -0.72 3.15 0.11 -1.26 -5.05 120.40 116.20 1kkd s VAL 54 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1kkd s VAL 54 Cb 0.00 -0.40 0.37 0.00 -1.53 0.00 0.00 36.38 34.82 1kkd s VAL 54 CO 0.00 0.00 1.65 -2.11 -3.33 0.00 0.00 175.10 171.31 1kkd n ARG 55 N 5.06 3.25 -3.49 1.54 1.85 -1.26 -5.00 116.66 118.63 1kkd n ARG 55 Ca 0.08 -4.03 -0.22 0.00 -1.00 0.00 0.00 57.85 52.68 1kkd n ARG 55 Cb 0.57 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 29.71 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 -3.89 2.41 -0.20 2.89 0.00 -1.26 -4.90 119.74 114.79 1kkd s LYS 56 Ca 0.49 -1.69 -0.00 0.00 0.00 0.00 0.00 55.97 54.77 1kkd s LYS 56 Cb 0.39 -2.39 0.00 0.00 0.00 0.00 0.00 37.83 35.84 1kkd s LYS 56 CO -0.30 -0.50 0.00 1.58 0.00 0.00 0.00 175.35 176.12 1kkd n HIS 57 N -1.82 -2.61 -2.69 1.78 -0.00 -1.26 -5.05 115.22 103.57 1kkd n HIS 57 Ca 0.05 1.16 -0.21 0.00 -0.00 0.00 0.00 57.72 58.72 1kkd n HIS 57 Cb 0.62 -3.14 0.05 0.00 -0.00 0.00 0.00 29.99 27.52 1kkd n HIS 57 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1kkd s GLN 58 N -1.06 2.34 1.06 1.57 -0.21 -1.26 -5.06 119.66 117.04 1kkd s GLN 58 Ca 0.00 -0.97 -0.20 0.00 0.02 0.00 0.00 55.36 54.21 1kkd s GLN 58 Cb -0.00 -2.49 0.01 0.00 1.00 0.00 0.00 33.01 31.53 1kkd s GLN 58 CO 0.51 -0.86 -0.33 -2.13 -2.12 0.00 0.00 175.29 170.36 1kkd n ARG 59 N -2.41 -0.94 -4.36 2.91 0.63 -1.26 -5.03 116.66 106.20 1kkd n ARG 59 Ca 0.10 -0.26 -0.21 0.00 -0.92 0.00 0.00 57.85 56.56 1kkd n ARG 59 Cb 0.60 -1.52 -0.08 0.00 0.45 0.00 0.00 32.46 31.90 1kkd n ARG 59 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1kkd s LYS 60 N -3.06 1.76 0.04 -0.14 0.00 -1.26 -5.18 119.74 111.90 1kkd s LYS 60 Ca 0.51 -2.03 -0.27 0.00 0.00 0.00 0.00 55.97 54.17 1kkd s LYS 60 Cb -0.09 -0.05 0.09 0.00 0.00 0.00 0.00 37.83 37.79 1kkd s LYS 60 CO 0.68 -0.55 0.85 -0.06 0.00 0.00 0.00 175.35 176.26 1kkd s PHE 61 N -3.43 -0.35 0.04 1.78 0.08 -1.26 -5.18 117.98 109.65 1kkd s PHE 61 Ca 0.34 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.58 1kkd s PHE 61 Cb 0.03 0.55 -0.03 0.00 -0.57 0.00 0.00 43.02 43.01 1kkd s PHE 61 CO 0.21 -0.63 -0.05 -0.48 -0.10 0.00 0.00 175.22 174.17 1kkd s LEU 62 N -2.57 2.33 0.29 -0.37 2.34 -1.26 -5.15 118.68 114.29 1kkd s LEU 62 Ca 0.05 -0.68 -0.23 0.00 0.06 0.00 0.00 54.13 53.34 1kkd s LEU 62 Cb -0.01 0.03 -0.09 0.00 -0.56 0.00 0.00 46.19 45.56 1kkd s LEU 62 CO -0.08 -0.36 0.85 0.00 -1.06 0.00 0.00 176.35 175.70 1kkd s GLN 63 N -2.29 4.40 -0.30 1.48 -2.07 -1.26 -5.02 119.66 114.60 1kkd s GLN 63 Ca -0.06 1.10 -0.15 0.00 -1.82 0.00 0.00 55.36 54.43 1kkd s GLN 63 Cb -0.04 -2.76 0.18 0.00 -1.09 0.00 0.00 33.01 29.30 1kkd s GLN 63 CO -0.03 0.29 1.17 0.00 -1.32 0.00 0.00 175.29 175.40 1kkd s ALA 64 N -1.64 -4.75 0.00 2.60 0.00 -1.26 -5.14 121.76 111.56 1kkd s ALA 64 Ca 0.48 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1kkd s ALA 64 Cb -0.17 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1kkd s ALA 64 CO 0.22 -2.37 0.00 -0.89 0.00 0.00 0.00 175.76 172.72 1kkd n ILE 65 N 4.29 0.00 -2.65 0.00 5.41 -1.26 -5.00 119.36 120.16 1kkd n ILE 65 Ca 0.08 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.65 1kkd n ILE 65 Cb 0.62 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.56 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 0.00 2.09 -1.56 1.39 8.25 -1.26 -5.06 115.22 119.07 1kkd n HIS 66 Ca 0.00 -3.05 -0.42 0.00 -0.26 0.00 0.00 57.72 53.99 1kkd n HIS 66 Cb 0.00 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 30.80 1kkd n HIS 66 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1kkd n GLN 67 N -0.20 1.55 -2.14 -0.41 1.13 -1.26 -4.94 117.38 111.10 1kkd n GLN 67 Ca 0.23 0.33 -0.28 0.00 -1.94 0.00 0.00 57.00 55.35 1kkd n GLN 67 Cb 0.72 -3.18 0.14 0.00 0.11 0.00 0.00 30.24 28.04 1kkd n GLN 67 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1kkd s LEU 68 N 9.40 2.78 0.04 1.08 1.43 -1.26 -5.11 118.68 127.05 1kkd s LEU 68 Ca 1.02 0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 54.00 1kkd s LEU 68 Cb -0.37 -2.38 0.07 0.00 0.03 0.00 0.00 46.19 43.54 1kkd s LEU 68 CO 0.34 -2.30 0.67 0.00 0.23 0.00 0.00 176.35 175.29 1kkd s ARG 69 N -5.59 1.13 0.60 1.70 3.03 -1.26 -5.14 118.95 113.43 1kkd s ARG 69 Ca 0.69 -0.10 0.00 0.00 2.03 0.00 0.00 55.73 58.35 1kkd s ARG 69 Cb -0.06 0.53 0.00 0.00 -1.03 0.00 0.00 34.95 34.39 1kkd s ARG 69 CO 0.49 -0.43 0.00 0.43 -1.13 0.00 0.00 175.30 174.66 1kkd n SER 70 N 0.27 -8.40 -0.00 -2.89 7.64 -1.26 -4.78 113.62 104.20 1kkd n SER 70 Ca -0.17 1.82 0.09 0.00 1.01 0.00 0.00 58.87 61.62 1kkd n SER 70 Cb 0.61 -5.09 -0.11 0.00 -1.01 0.00 0.00 64.21 58.61 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 -2.92 0.00 -1.83 0.44 0.31 -1.26 -4.64 118.33 108.43 1kkd n VAL 71 Ca -0.02 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 1kkd n VAL 71 Cb 0.52 0.96 -0.00 0.00 -0.91 0.00 0.00 33.84 34.41 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 -1.48 3.24 -0.13 5.55 2.85 -1.26 -4.64 118.16 122.29 1kkd n LYS 72 Ca 0.03 -2.81 -0.13 0.00 -1.05 0.00 0.00 58.31 54.36 1kkd n LYS 72 Cb 0.30 -3.10 -0.02 0.00 -0.65 0.00 0.00 35.03 31.56 1kkd n LYS 72 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 1kkd h MET 73 N 5.73 0.89 -6.03 -1.58 2.86 -1.91 -3.45 114.93 111.44 1kkd h MET 73 Ca 0.58 -0.43 -0.61 0.00 -2.06 0.00 0.00 59.70 57.18 1kkd h MET 73 Cb 0.57 -0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.10 1kkd h MET 73 CO 1.79 1.08 -0.69 -1.83 1.06 0.00 0.00 176.91 178.33 1kkd s GLU 74 N -4.50 1.85 0.43 1.72 1.03 -1.26 -5.16 118.70 112.81 1kkd s GLU 74 Ca -0.12 -1.84 0.06 0.00 0.03 0.00 0.00 54.97 53.10 1kkd s GLU 74 Cb 0.11 -1.78 -0.06 0.00 -0.80 0.00 0.00 34.13 31.60 1kkd s GLU 74 CO 0.86 0.20 0.07 -1.14 -1.33 0.00 0.00 175.26 173.91 1kkd s GLN 75 N -3.60 2.07 0.23 -4.83 0.74 -1.26 -5.10 119.66 107.91 1kkd s GLN 75 Ca 0.32 -2.08 -0.30 0.00 0.05 0.00 0.00 55.36 53.35 1kkd s GLN 75 Cb -0.00 -1.73 -0.10 0.00 1.10 0.00 0.00 33.01 32.28 1kkd s GLN 75 CO 0.17 -0.13 1.41 -0.98 -0.55 0.00 0.00 175.29 175.21 1kkd s ARG 76 N -3.80 4.30 0.31 1.67 1.70 -1.26 -5.02 118.95 116.85 1kkd s ARG 76 Ca 0.32 2.24 0.06 0.00 -0.47 0.00 0.00 55.73 57.88 1kkd s ARG 76 Cb 0.07 -3.13 -0.02 0.00 -0.57 0.00 0.00 34.95 31.30 1kkd s ARG 76 CO 0.17 -0.38 0.44 0.21 -1.08 0.00 0.00 175.30 174.65 1kkd s LYS 77 N -0.25 3.20 0.66 3.89 2.20 -1.26 -5.05 119.74 123.14 1kkd s LYS 77 Ca 0.59 -0.95 -0.15 0.00 -0.36 0.00 0.00 55.97 55.10 1kkd s LYS 77 Cb -0.40 -2.83 -0.13 0.00 -1.51 0.00 0.00 37.83 32.95 1kkd s LYS 77 CO 0.41 0.17 -0.42 1.28 -0.36 0.00 0.00 175.35 176.43 1kkd n LEU 78 N -1.57 -4.26 0.00 5.43 4.32 -1.26 -4.83 117.00 114.83 1kkd n LEU 78 Ca -0.03 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 1kkd n LEU 78 Cb 0.58 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1kkd n LEU 78 CO 0.43 -4.71 0.00 -3.20 -1.22 0.00 0.00 177.39 168.68 1kkd n ASN 79 N 2.62 0.00 -4.79 -1.43 5.15 -1.26 -5.13 115.26 110.42 1kkd n ASN 79 Ca 0.02 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.65 1kkd n ASN 79 Cb 0.45 0.01 -0.03 0.00 -0.53 0.00 0.00 39.78 39.67 1kkd n ASN 79 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1kkd s ASP 80 N -1.03 6.33 -0.08 1.20 -4.77 -1.26 -4.56 116.67 112.51 1kkd s ASP 80 Ca 0.00 2.03 -0.06 0.00 -3.30 0.00 0.00 52.55 51.22 1kkd s ASP 80 Cb 0.00 -2.57 0.02 0.00 -1.09 0.00 0.00 42.92 39.28 1kkd s ASP 80 CO 0.00 -0.79 0.12 1.67 0.70 0.00 0.00 175.17 176.87 1kkd n GLN 81 N -0.76 -3.96 -0.02 2.11 0.00 -1.26 -4.96 117.38 108.54 1kkd n GLN 81 Ca 0.08 2.97 0.05 0.00 -0.00 0.00 0.00 57.00 60.10 1kkd n GLN 81 Cb 0.51 -3.99 -0.11 0.00 0.00 0.00 0.00 30.24 26.65 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kkd n ALA 82 N 1.91 2.40 -3.65 1.69 0.00 -1.26 -5.00 120.51 116.61 1kkd n ALA 82 Ca -0.20 -0.42 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 1kkd n ALA 82 Cb 0.31 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.27 1kkd n ALA 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1kkd s ASN 83 N -3.81 -0.35 -0.47 0.00 2.47 -1.26 -5.10 114.94 106.42 1kkd s ASN 83 Ca -0.05 0.58 0.06 0.00 0.42 0.00 0.00 52.86 53.87 1kkd s ASN 83 Cb 0.08 1.01 0.27 0.00 -1.45 0.00 0.00 41.25 41.16 1kkd s ASN 83 CO 0.59 -0.09 0.95 1.07 -3.72 0.00 0.00 177.10 175.89 1kkd n THR 84 N 3.14 -0.03 0.37 -5.21 5.66 -1.26 -4.93 114.28 112.01 1kkd n THR 84 Ca -0.17 -1.66 0.04 0.00 -3.05 0.00 0.00 64.05 59.22 1kkd n THR 84 Cb 0.57 1.33 -0.05 0.00 -1.55 0.00 0.00 70.33 70.63 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 1.21 0.37 -2.84 1.09 -0.00 -1.26 -4.97 117.00 110.59 1kkd n LEU 85 Ca 0.09 -0.45 -0.10 0.00 -0.00 0.00 0.00 56.01 55.55 1kkd n LEU 85 Cb 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.05 1kkd n LEU 85 CO 0.05 0.09 -0.04 1.33 -0.00 0.00 0.00 177.39 178.82 1kkd n VAL 86 N -1.26 0.00 -1.34 1.47 0.24 -1.26 -4.85 118.33 111.32 1kkd n VAL 86 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1kkd n VAL 86 Cb 0.14 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 1kkd n VAL 86 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1kkd n ASP 87 N -1.61 0.00 -1.70 -1.34 -0.08 -1.26 -4.09 116.55 106.48 1kkd n ASP 87 Ca 0.03 -0.90 -0.02 0.00 -1.51 0.00 0.00 54.79 52.39 1kkd n ASP 87 Cb 0.46 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.91 1kkd n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kkd n LEU 88 N 0.00 -0.14 0.02 -2.67 -0.00 -1.26 -4.69 117.00 108.26 1kkd n LEU 88 Ca 0.00 0.23 -0.20 0.00 -0.00 0.00 0.00 56.01 56.04 1kkd n LEU 88 Cb 0.00 -0.90 -0.14 0.00 -0.00 0.00 0.00 43.42 42.38 1kkd n LEU 88 CO 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 177.39 177.33 1kkd h ALA 89 N 1.46 -0.03 -2.54 1.47 0.00 -1.96 -3.50 119.26 114.16 1kkd h ALA 89 Ca -0.04 -0.75 0.24 0.00 0.00 0.00 0.00 54.91 54.36 1kkd h ALA 89 Cb 0.52 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 1kkd h ALA 89 CO 0.05 0.41 -0.92 1.63 0.00 0.00 0.00 179.25 180.42 1kkd n LYS 90 N -4.16 -2.44 -3.15 0.00 5.02 -1.26 -5.03 118.16 107.14 1kkd n LYS 90 Ca -0.16 2.00 0.05 0.00 -2.02 0.00 0.00 58.31 58.18 1kkd n LYS 90 Cb 0.79 -2.83 -0.00 0.00 -0.02 0.00 0.00 35.03 32.97 1kkd n LYS 90 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1kkd s THR 91 N -4.00 -0.29 0.00 -0.18 -1.32 -1.26 -5.19 115.64 103.40 1kkd s THR 91 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1kkd s THR 91 Cb 0.00 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.50 1kkd s THR 91 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41