#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 -2.93 -0.14 4.81 -1.26 -5.12 118.16 113.52 1kkd n LYS 2 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1kkd n LYS 2 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1kkd n LYS 2 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1kkd n LEU 3 N -2.90 -5.42 0.05 3.14 7.94 -1.26 -5.00 117.00 113.56 1kkd n LEU 3 Ca 0.00 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 1kkd n LEU 3 Cb 0.00 -2.33 0.00 0.00 0.53 0.00 0.00 43.42 41.62 1kkd n LEU 3 CO 0.00 -2.77 -0.06 1.21 -1.11 0.00 0.00 177.39 174.66 1kkd n GLU 4 N 1.59 0.00 -1.93 1.96 2.13 -1.26 -4.87 120.64 118.26 1kkd n GLU 4 Ca -0.09 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.36 1kkd n GLU 4 Cb 0.29 -0.46 -0.04 0.00 0.27 0.00 0.00 31.44 31.50 1kkd n GLU 4 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1kkd n LEU 5 N -3.43 4.08 -4.55 4.31 7.94 -1.26 -4.85 117.00 119.25 1kkd n LEU 5 Ca 0.00 -3.37 -0.38 0.00 -1.11 0.00 0.00 56.01 51.15 1kkd n LEU 5 Cb 0.06 -1.59 -0.02 0.00 0.53 0.00 0.00 43.42 42.40 1kkd n LEU 5 CO 0.00 -0.77 1.84 0.41 -1.11 0.00 0.00 177.39 177.76 1kkd n THR 6 N 6.81 3.22 -1.91 1.96 -1.04 -1.26 -4.95 114.28 117.11 1kkd n THR 6 Ca 0.48 -3.34 -0.37 0.00 -2.04 0.00 0.00 64.05 58.78 1kkd n THR 6 Cb 0.44 -2.29 0.03 0.00 -1.82 0.00 0.00 70.33 66.69 1kkd n THR 6 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1kkd s LYS 7 N 4.97 3.11 -0.41 -2.82 0.00 -1.26 -4.99 119.74 118.34 1kkd s LYS 7 Ca 0.59 2.03 0.07 0.00 0.00 0.00 0.00 55.97 58.66 1kkd s LYS 7 Cb 0.03 -2.13 0.24 0.00 0.00 0.00 0.00 37.83 35.96 1kkd s LYS 7 CO 0.10 -1.15 0.57 0.00 0.00 0.00 0.00 175.35 174.87 1kkd n ALA 8 N -1.22 1.64 -0.40 0.59 0.00 -1.26 -4.95 120.51 114.92 1kkd n ALA 8 Ca 0.12 -2.92 -0.13 0.00 0.00 0.00 0.00 53.44 50.50 1kkd n ALA 8 Cb 0.47 -0.92 0.13 0.00 0.00 0.00 0.00 19.45 19.13 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 1.68 2.02 0.00 0.00 0.28 -1.26 -3.88 120.64 119.47 1kkd n GLU 9 Ca 0.20 -1.94 0.00 0.00 -0.16 0.00 0.00 57.16 55.26 1kkd n GLU 9 Cb 0.54 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.63 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 -0.44 0.00 -1.11 3.44 2.85 -1.26 -5.06 118.16 116.58 1kkd n LYS 10 Ca 0.36 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.32 1kkd n LYS 10 Cb 1.21 -0.84 0.15 0.00 -0.65 0.00 0.00 35.03 34.90 1kkd n LYS 10 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1kkd s HIS 11 N -1.97 2.16 -0.32 5.58 3.76 -1.25 -5.03 115.29 118.22 1kkd s HIS 11 Ca 0.00 1.25 0.02 0.00 -0.15 0.00 0.00 55.06 56.18 1kkd s HIS 11 Cb 0.00 -3.18 0.10 0.00 1.11 0.00 0.00 32.58 30.61 1kkd s HIS 11 CO 0.00 -2.61 0.06 0.14 -0.85 0.00 0.00 174.74 171.48 1kkd s VAL 12 N -2.88 1.64 -0.46 -0.90 -7.23 -1.26 -5.01 120.40 104.30 1kkd s VAL 12 Ca 0.64 -1.85 0.07 0.00 -1.81 0.00 0.00 61.98 59.03 1kkd s VAL 12 Cb -0.19 -2.19 0.24 0.00 0.56 0.00 0.00 36.38 34.80 1kkd s VAL 12 CO 0.58 -0.58 0.55 0.00 -0.31 0.00 0.00 175.10 175.33 1kkd n HIS 13 N 4.53 0.57 1.06 2.82 1.44 -1.26 -4.87 115.22 119.52 1kkd n HIS 13 Ca -0.00 -3.69 0.12 0.00 -2.01 0.00 0.00 57.72 52.14 1kkd n HIS 13 Cb 0.42 -0.33 0.22 0.00 0.12 0.00 0.00 29.99 30.43 1kkd n HIS 13 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1kkd n ASN 14 N 1.49 0.74 -3.20 4.39 3.02 -1.26 -4.97 115.26 115.47 1kkd n ASN 14 Ca 0.24 -0.54 -0.15 0.00 -0.03 0.00 0.00 54.58 54.10 1kkd n ASN 14 Cb 0.49 0.33 0.07 0.00 -0.61 0.00 0.00 39.78 40.06 1kkd n ASN 14 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1kkd n PHE 15 N -1.24 -2.26 0.00 3.10 7.35 -1.26 -4.75 117.46 118.39 1kkd n PHE 15 Ca 0.07 0.84 0.00 0.00 -0.76 0.00 0.00 57.45 57.60 1kkd n PHE 15 Cb 0.34 -4.31 0.00 0.00 0.35 0.00 0.00 39.48 35.86 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 -3.39 0.00 -0.40 -4.13 0.00 -1.26 -4.97 117.12 102.97 1kkd n MET 16 Ca -0.13 0.00 0.36 0.00 0.00 0.00 0.00 57.70 57.93 1kkd n MET 16 Cb 0.63 0.00 0.62 0.00 0.00 0.00 0.00 33.22 34.47 1kkd n MET 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1kkd n MET 17 N 0.00 -0.05 -3.15 3.17 2.81 -1.26 -4.16 117.12 114.48 1kkd n MET 17 Ca 0.00 1.27 0.06 0.00 -1.81 0.00 0.00 57.70 57.22 1kkd n MET 17 Cb 0.00 -2.41 -0.00 0.00 -0.71 0.00 0.00 33.22 30.10 1kkd n MET 17 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1kkd s ASP 18 N -4.38 -0.17 0.00 7.83 -4.77 -1.26 -5.05 116.67 108.87 1kkd s ASP 18 Ca -0.08 0.03 -0.16 0.00 -3.30 0.00 0.00 52.55 49.04 1kkd s ASP 18 Cb 0.31 1.11 -0.34 0.00 -1.09 0.00 0.00 42.92 42.92 1kkd s ASP 18 CO 0.78 -0.03 0.92 0.00 0.70 0.00 0.00 175.17 177.54 1kkd h THR 19 N 4.37 1.27 0.00 2.11 1.03 -1.96 -3.45 112.91 116.27 1kkd h THR 19 Ca -0.11 -2.64 0.00 0.00 -0.01 0.00 0.00 66.41 63.66 1kkd h THR 19 Cb 1.17 3.03 0.00 0.00 -1.07 0.00 0.00 68.15 71.28 1kkd h THR 19 CO -0.16 0.80 0.00 1.67 -0.01 0.00 0.00 175.52 177.82 1kkd n GLN 20 N -3.78 0.00 -2.68 0.00 0.00 -1.26 -5.05 117.38 104.61 1kkd n GLN 20 Ca -0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.75 1kkd n GLN 20 Cb 1.05 0.00 0.01 0.00 0.00 0.00 0.00 30.24 31.29 1kkd n GLN 20 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1kkd n LEU 21 N 0.00 -2.59 0.08 1.69 -0.00 -1.26 -4.90 117.00 110.02 1kkd n LEU 21 Ca 0.00 0.21 -0.03 0.00 -0.00 0.00 0.00 56.01 56.19 1kkd n LEU 21 Cb 0.00 -1.23 -0.02 0.00 -0.00 0.00 0.00 43.42 42.18 1kkd n LEU 21 CO 0.00 -0.85 0.25 0.74 -0.00 0.00 0.00 177.39 177.53 1kkd h THR 22 N 2.71 0.00 -4.32 1.47 2.02 -1.98 -3.48 112.91 109.32 1kkd h THR 22 Ca -0.10 -0.16 -0.24 0.00 0.77 0.00 0.00 66.41 66.68 1kkd h THR 22 Cb 0.85 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.14 1kkd h THR 22 CO 0.04 0.00 -0.40 -1.59 0.37 0.00 0.00 175.52 173.94 1kkd s LYS 23 N -2.55 1.50 0.16 6.66 0.00 -1.26 -5.10 119.74 119.16 1kkd s LYS 23 Ca -0.03 -1.62 0.07 0.00 0.00 0.00 0.00 55.97 54.39 1kkd s LYS 23 Cb 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 37.83 38.15 1kkd s LYS 23 CO 0.09 -0.57 -0.15 1.03 0.00 0.00 0.00 175.35 175.75 1kkd s ARG 24 N -3.80 1.21 -1.57 1.78 0.52 -1.26 -4.74 118.95 111.09 1kkd s ARG 24 Ca 0.34 -1.42 -0.15 0.00 -0.52 0.00 0.00 55.73 53.97 1kkd s ARG 24 Cb 0.03 -1.11 0.12 0.00 0.52 0.00 0.00 34.95 34.51 1kkd s ARG 24 CO 0.15 0.21 0.81 0.28 0.02 0.00 0.00 175.30 176.77 1kkd n VAL 25 N 0.12 -1.35 -2.23 3.52 0.31 -1.26 0.19 118.33 117.62 1kkd n VAL 25 Ca -0.12 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.04 1kkd n VAL 25 Cb 0.58 -2.11 -0.02 0.00 -0.91 0.00 0.00 33.84 31.38 1kkd n VAL 25 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1kkd n LYS 26 N -4.37 -1.83 -2.61 5.55 4.01 -1.26 -3.45 118.16 114.20 1kkd n LYS 26 Ca 0.05 0.84 -0.01 0.00 -0.51 0.00 0.00 58.31 58.68 1kkd n LYS 26 Cb 0.51 -5.41 -0.01 0.00 -0.51 0.00 0.00 35.03 29.61 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 -1.70 -6.11 -0.58 4.39 5.15 0.49 -5.00 115.26 111.91 1kkd n ASN 27 Ca -0.19 1.33 -0.00 0.00 -0.60 0.00 0.00 54.58 55.12 1kkd n ASN 27 Cb 0.63 -5.06 -0.00 0.00 -0.53 0.00 0.00 39.78 34.81 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 0.86 2.13 -1.40 5.20 0.00 -1.22 -4.97 120.51 121.10 1kkd n ALA 28 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1kkd n ALA 28 Cb 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.51 0.00 0.00 -1.26 -4.94 120.51 112.82 1kkd n ALA 29 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 1kkd n ALA 29 Cb 0.62 -0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.37 0.74 -1.28 0.00 0.00 -1.26 0.99 120.51 118.32 1kkd n ALA 30 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 1kkd n ALA 30 Cb 0.29 -2.79 -0.04 0.00 0.00 0.00 0.00 19.45 16.91 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 12.97 -5.54 -0.31 0.00 3.02 -1.26 -0.84 115.26 123.30 1kkd n ASN 31 Ca 0.46 0.24 -0.04 0.00 -0.03 0.00 0.00 54.58 55.21 1kkd n ASN 31 Cb 0.33 -3.89 -0.02 0.00 -0.61 0.00 0.00 39.78 35.59 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 -2.26 0.00 0.00 2.41 0.24 0.28 0.51 118.33 119.51 1kkd n VAL 32 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1kkd n VAL 32 Cb 0.55 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 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 -0.45 0.00 0.14 1.34 7.94 -0.02 -4.58 117.00 121.36 1kkd n LEU 33 Ca -0.04 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.72 1kkd n LEU 33 Cb 0.46 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.33 1kkd n LEU 33 CO 0.06 0.00 0.68 -0.09 -1.11 0.00 0.00 177.39 176.94 1kkd h ARG 34 N 0.00 -0.30 -2.05 1.96 2.43 -1.82 -3.47 114.38 111.13 1kkd h ARG 34 Ca 0.00 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 1kkd h ARG 34 Cb 0.00 0.07 0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1kkd h ARG 34 CO 0.00 -0.07 -0.19 0.39 -1.51 0.00 0.00 179.97 178.60 1kkd n GLU 35 N -5.14 -1.89 -0.81 0.20 1.02 0.18 -4.92 120.64 109.28 1kkd n GLU 35 Ca -0.09 0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 57.15 1kkd n GLU 35 Cb 0.21 -3.61 0.05 0.00 -0.02 0.00 0.00 31.44 28.06 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 -3.39 2.58 -0.03 2.62 -1.04 -1.26 -3.13 114.28 110.63 1kkd n THR 36 Ca -0.01 -1.44 0.00 0.00 -2.04 0.00 0.00 64.05 60.55 1kkd n THR 36 Cb 0.53 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 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 0.25 0.00 0.05 -1.42 7.02 -1.26 -4.48 117.44 117.60 1kkd n TRP 37 Ca 0.28 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.86 1kkd n TRP 37 Cb 0.68 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.50 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 0.00 0.53 -0.11 -0.99 7.99 -1.19 -4.44 117.00 118.79 1kkd n LEU 38 Ca 0.00 0.21 -0.23 0.00 -0.01 0.00 0.00 56.01 55.98 1kkd n LEU 38 Cb 0.00 -0.01 -0.08 0.00 -0.11 0.00 0.00 43.42 43.22 1kkd n LEU 38 CO 0.00 -0.07 -1.28 2.30 -1.51 0.00 0.00 177.39 176.83 1kkd n ILE 39 N -2.55 1.25 -2.50 -0.08 -5.35 -1.23 -5.06 119.36 103.84 1kkd n ILE 39 Ca -0.03 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1kkd n ILE 39 Cb 0.60 -1.73 0.00 0.00 -1.74 0.00 0.00 39.64 36.77 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 -3.90 0.00 -0.05 4.28 4.11 -1.26 -4.95 117.16 115.39 1kkd n TYR 40 Ca -0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.41 1kkd n TYR 40 Cb 0.83 -0.75 -0.02 0.00 -0.00 0.00 0.00 39.34 39.40 1kkd n TYR 40 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1kkd n LYS 41 N 1.22 0.27 -2.71 -3.48 4.01 -1.26 -5.08 118.16 111.13 1kkd n LYS 41 Ca 0.00 0.12 -0.04 0.00 -0.51 0.00 0.00 58.31 57.88 1kkd n LYS 41 Cb 0.33 -1.00 -0.03 0.00 -0.51 0.00 0.00 35.03 33.82 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 -3.52 -2.45 0.00 4.39 3.02 -1.26 -5.01 115.26 110.43 1kkd n ASN 42 Ca -0.07 1.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 1kkd n ASN 42 Cb 0.26 -4.57 0.00 0.00 -0.61 0.00 0.00 39.78 34.87 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 1.76 0.00 -1.28 3.41 5.66 -1.26 -5.06 114.28 117.51 1kkd n THR 43 Ca -0.31 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.35 1kkd n THR 43 Cb 0.49 -0.47 0.10 0.00 -1.55 0.00 0.00 70.33 68.90 1kkd n THR 43 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1kkd n LYS 44 N -2.23 0.42 -3.78 1.09 2.85 -1.26 -3.37 118.16 111.88 1kkd n LYS 44 Ca 0.00 0.21 -0.27 0.00 -1.05 0.00 0.00 58.31 57.20 1kkd n LYS 44 Cb 0.12 -2.36 0.01 0.00 -0.65 0.00 0.00 35.03 32.15 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 -2.43 -2.04 -0.09 -5.58 4.77 -1.26 -4.88 117.00 105.49 1kkd n LEU 45 Ca 0.14 -0.96 -0.10 0.00 -0.03 0.00 0.00 56.01 55.06 1kkd n LEU 45 Cb 0.50 -1.80 -0.15 0.00 -2.33 0.00 0.00 43.42 39.64 1kkd n LEU 45 CO 0.48 0.35 -1.13 0.55 -1.33 0.00 0.00 177.39 176.31 1kkd n VAL 46 N -3.06 1.31 -3.17 4.08 3.14 -1.22 -5.01 118.33 114.40 1kkd n VAL 46 Ca -0.25 -0.80 -0.15 0.00 -2.96 0.00 0.00 64.34 60.18 1kkd n VAL 46 Cb 0.65 -0.52 0.07 0.00 -1.06 0.00 0.00 33.84 32.98 1kkd n VAL 46 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1kkd n LYS 47 N -2.72 -5.42 -1.54 1.45 4.76 -1.26 -4.79 118.16 108.64 1kkd n LYS 47 Ca -0.31 0.65 -0.15 0.00 -2.87 0.00 0.00 58.31 55.63 1kkd n LYS 47 Cb 1.12 -5.09 -0.10 0.00 -1.84 0.00 0.00 35.03 29.11 1kkd n LYS 47 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1kkd n LYS 48 N -3.58 0.42 -0.15 1.97 -0.00 -1.26 -4.88 118.16 110.68 1kkd n LYS 48 Ca -0.15 -0.73 -0.20 0.00 -0.00 0.00 0.00 58.31 57.22 1kkd n LYS 48 Cb 0.60 -3.17 0.20 0.00 -0.00 0.00 0.00 35.03 32.66 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 8.15 0.00 0.07 0.58 -5.35 -1.26 -4.95 119.36 116.60 1kkd n ILE 49 Ca 0.50 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.79 1kkd n ILE 49 Cb 0.38 -0.66 -0.15 0.00 -1.74 0.00 0.00 39.64 37.47 1kkd n ILE 49 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1kkd h ASP 50 N -3.12 0.49 0.00 7.28 1.82 -2.01 -3.49 116.42 117.39 1kkd h ASP 50 Ca -0.26 -0.69 0.00 0.00 -0.39 0.00 0.00 57.03 55.69 1kkd h ASP 50 Cb 0.89 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1kkd h ASP 50 CO 0.16 1.57 0.00 1.57 -1.61 0.00 0.00 179.24 180.93 1kkd n HIS 51 N -3.51 0.00 -3.84 0.28 -0.00 -1.26 -5.15 115.22 101.75 1kkd n HIS 51 Ca -0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.48 1kkd n HIS 51 Cb 1.06 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 31.06 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 -1.00 -1.42 -0.23 1.57 0.00 -1.26 -5.09 121.76 114.33 1kkd s ALA 52 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 1kkd s ALA 52 Cb 0.00 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1kkd s ALA 52 CO 0.00 -1.04 0.09 1.63 0.00 0.00 0.00 175.76 176.43 1kkd n LYS 53 N -0.60 -3.41 -3.09 0.00 5.02 -1.26 -5.06 118.16 109.75 1kkd n LYS 53 Ca -0.05 2.72 0.04 0.00 -2.02 0.00 0.00 58.31 59.01 1kkd n LYS 53 Cb 0.60 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.91 1kkd n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1kkd s VAL 54 N -1.09 -0.38 0.00 -0.18 0.11 -1.26 -5.15 120.40 112.46 1kkd s VAL 54 Ca -0.10 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1kkd s VAL 54 Cb 0.01 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1kkd s VAL 54 CO 0.68 0.00 0.00 -1.14 -3.33 0.00 0.00 175.10 171.31 1kkd n ARG 55 N 4.88 1.99 -2.14 1.54 3.00 -1.26 -5.17 116.66 119.51 1kkd n ARG 55 Ca 0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.75 1kkd n ARG 55 Cb 0.58 0.00 0.10 0.00 0.00 0.00 0.00 32.46 33.14 1kkd n ARG 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1kkd n LYS 56 N 0.00 -0.02 -2.72 -0.14 5.02 -1.26 -5.07 118.16 113.96 1kkd n LYS 56 Ca 0.00 -2.14 -0.08 0.00 -2.02 0.00 0.00 58.31 54.07 1kkd n LYS 56 Cb 0.00 -0.56 0.09 0.00 -0.02 0.00 0.00 35.03 34.54 1kkd n LYS 56 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kkd n HIS 57 N -2.61 -2.54 -2.56 2.13 8.25 -1.26 -5.04 115.22 111.60 1kkd n HIS 57 Ca 0.13 -1.90 -0.43 0.00 -0.26 0.00 0.00 57.72 55.27 1kkd n HIS 57 Cb 0.47 1.57 0.01 0.00 1.12 0.00 0.00 29.99 33.15 1kkd n HIS 57 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1kkd n GLN 58 N 0.46 4.00 -3.15 -0.41 6.02 -1.26 -4.81 117.38 118.23 1kkd n GLN 58 Ca 0.04 -3.91 -0.00 0.00 -0.01 0.00 0.00 57.00 53.13 1kkd n GLN 58 Cb 0.70 -2.76 -0.00 0.00 1.02 0.00 0.00 30.24 29.21 1kkd n GLN 58 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1kkd n ARG 59 N 2.79 -0.56 -0.54 -1.09 0.63 -1.26 -4.94 116.66 111.69 1kkd n ARG 59 Ca 0.36 0.94 -0.13 0.00 -0.92 0.00 0.00 57.85 58.09 1kkd n ARG 59 Cb 0.34 -1.24 0.11 0.00 0.45 0.00 0.00 32.46 32.12 1kkd n ARG 59 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1kkd n LYS 60 N 1.37 -1.69 -2.92 -0.14 0.00 -1.26 -4.74 118.16 108.79 1kkd n LYS 60 Ca -0.00 -0.81 -0.02 0.00 -0.00 0.00 0.00 58.31 57.48 1kkd n LYS 60 Cb 0.43 -0.71 -0.02 0.00 -0.00 0.00 0.00 35.03 34.74 1kkd n LYS 60 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1kkd n PHE 61 N -3.41 -1.71 -0.03 5.58 3.01 -1.26 -4.93 117.46 114.70 1kkd n PHE 61 Ca 0.07 0.96 -0.12 0.00 1.01 0.00 0.00 57.45 59.37 1kkd n PHE 61 Cb 0.26 -2.14 -0.14 0.00 -0.01 0.00 0.00 39.48 37.45 1kkd n PHE 61 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 1kkd n LEU 62 N 2.04 1.26 -4.20 4.37 -0.00 -1.26 -4.95 117.00 114.26 1kkd n LEU 62 Ca -0.14 0.27 -0.32 0.00 -0.00 0.00 0.00 56.01 55.82 1kkd n LEU 62 Cb 0.27 -0.13 0.15 0.00 -0.00 0.00 0.00 43.42 43.70 1kkd n LEU 62 CO 0.16 0.54 -0.79 0.00 -0.00 0.00 0.00 177.39 177.30 1kkd n GLN 63 N -3.11 -1.41 -2.91 1.47 10.64 -1.26 -5.02 117.38 115.77 1kkd n GLN 63 Ca -0.25 -0.40 0.04 0.00 -1.83 0.00 0.00 57.00 54.56 1kkd n GLN 63 Cb 1.06 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 28.90 1kkd n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1kkd s ALA 64 N -2.17 -4.75 -0.20 2.61 0.00 -1.26 -5.06 121.76 110.92 1kkd s ALA 64 Ca 0.51 1.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.95 1kkd s ALA 64 Cb -0.07 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1kkd s ALA 64 CO 0.63 -2.37 0.02 -0.89 0.00 0.00 0.00 175.76 173.16 1kkd n ILE 65 N 4.29 -8.90 -3.25 0.00 5.41 -1.26 -4.97 119.36 110.67 1kkd n ILE 65 Ca 0.08 1.50 -0.25 0.00 1.00 0.00 0.00 62.75 65.08 1kkd n ILE 65 Cb 0.62 -5.63 -0.07 0.00 -0.71 0.00 0.00 39.64 33.85 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 1.05 1.40 -3.99 1.39 8.25 -1.26 -5.08 115.22 116.98 1kkd n HIS 66 Ca -0.04 -3.82 -0.11 0.00 -0.26 0.00 0.00 57.72 53.48 1kkd n HIS 66 Cb 0.20 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 30.84 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 -1.93 1.85 0.40 -0.41 -0.21 -1.26 -5.14 119.66 112.96 1kkd s GLN 67 Ca 0.38 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 54.29 1kkd s GLN 67 Cb 0.19 0.50 0.00 0.00 1.00 0.00 0.00 33.01 34.70 1kkd s GLN 67 CO -0.07 -0.79 0.00 1.28 -2.12 0.00 0.00 175.29 173.58 1kkd n LEU 68 N -0.49 -0.71 -4.08 2.90 4.77 -1.26 -4.83 117.00 113.30 1kkd n LEU 68 Ca -0.02 1.64 -0.36 0.00 -0.03 0.00 0.00 56.01 57.24 1kkd n LEU 68 Cb 0.61 -3.43 0.06 0.00 -2.33 0.00 0.00 43.42 38.33 1kkd n LEU 68 CO 0.26 -2.24 -1.16 0.54 -1.33 0.00 0.00 177.39 173.46 1kkd n ARG 69 N -3.91 -0.08 -2.80 3.23 1.74 -1.26 -4.97 116.66 108.61 1kkd n ARG 69 Ca -0.04 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 56.82 1kkd n ARG 69 Cb 0.53 -1.17 0.05 0.00 -1.02 0.00 0.00 32.46 30.85 1kkd n ARG 69 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1kkd s SER 70 N -1.20 5.14 0.03 0.55 0.01 -1.26 -4.96 113.70 112.01 1kkd s SER 70 Ca 0.43 -0.35 0.12 0.00 1.31 0.00 0.00 55.95 57.46 1kkd s SER 70 Cb -0.16 -0.41 0.51 0.00 0.21 0.00 0.00 66.02 66.17 1kkd s SER 70 CO 0.79 -1.24 1.38 1.33 0.41 0.00 0.00 173.24 175.91 1kkd n VAL 71 N -2.30 1.23 -3.81 3.43 0.24 -1.26 -4.57 118.33 111.28 1kkd n VAL 71 Ca 0.11 0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 62.61 1kkd n VAL 71 Cb 0.60 -1.16 -0.13 0.00 -1.47 0.00 0.00 33.84 31.69 1kkd n VAL 71 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1kkd s LYS 72 N -3.04 0.18 0.36 7.34 1.02 -1.26 -5.17 119.74 119.16 1kkd s LYS 72 Ca 0.05 0.23 0.07 0.00 0.02 0.00 0.00 55.97 56.34 1kkd s LYS 72 Cb 0.07 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 1kkd s LYS 72 CO 0.21 -0.03 0.40 0.00 -0.92 0.00 0.00 175.35 175.00 1kkd s MET 73 N 0.15 2.85 0.51 1.68 0.23 -1.26 -5.13 119.30 118.33 1kkd s MET 73 Ca -0.01 -1.22 0.00 0.00 -1.03 0.00 0.00 55.69 53.43 1kkd s MET 73 Cb -0.02 -2.62 0.00 0.00 -1.53 0.00 0.00 34.83 30.67 1kkd s MET 73 CO -0.00 0.01 0.01 0.39 -2.03 0.00 0.00 175.02 173.40 1kkd n GLU 74 N -1.54 0.78 0.00 3.16 4.71 -1.26 -5.06 120.64 121.42 1kkd n GLU 74 Ca 0.01 -3.68 0.00 0.00 -0.01 0.00 0.00 57.16 53.48 1kkd n GLU 74 Cb 0.59 0.96 0.00 0.00 -1.01 0.00 0.00 31.44 31.99 1kkd n GLU 74 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1kkd n GLN 75 N -1.28 0.00 -3.80 3.49 7.27 -1.26 -4.76 117.38 117.04 1kkd n GLN 75 Ca -0.20 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.74 1kkd n GLN 75 Cb 0.64 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.19 1kkd n GLN 75 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1kkd s ARG 76 N 0.00 0.51 -0.08 3.69 0.52 -1.26 -5.04 118.95 117.30 1kkd s ARG 76 Ca 0.00 -0.10 0.15 0.00 -0.52 0.00 0.00 55.73 55.26 1kkd s ARG 76 Cb 0.00 0.23 -0.23 0.00 0.52 0.00 0.00 34.95 35.47 1kkd s ARG 76 CO 0.00 -0.12 0.49 0.36 0.02 0.00 0.00 175.30 176.05 1kkd n LYS 77 N 1.79 0.65 -4.19 3.54 2.85 -1.26 -4.94 118.16 116.60 1kkd n LYS 77 Ca -0.19 0.17 -0.23 0.00 -1.05 0.00 0.00 58.31 57.00 1kkd n LYS 77 Cb 0.56 -1.70 -0.07 0.00 -0.65 0.00 0.00 35.03 33.18 1kkd n LYS 77 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1kkd s LEU 78 N -5.79 3.24 0.00 -5.58 2.34 -1.26 -4.97 118.68 106.65 1kkd s LEU 78 Ca -0.06 -0.73 0.00 0.00 0.06 0.00 0.00 54.13 53.40 1kkd s LEU 78 Cb 0.08 -1.72 0.00 0.00 -0.56 0.00 0.00 46.19 43.99 1kkd s LEU 78 CO 0.83 -0.18 0.00 -3.20 -1.06 0.00 0.00 176.35 172.74 1kkd n ASN 79 N -1.05 0.00 0.00 1.48 5.15 -1.26 -5.04 115.26 114.54 1kkd n ASN 79 Ca -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 1kkd n ASN 79 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 1kkd n ASN 79 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1kkd n ASP 80 N -0.88 0.00 -2.69 1.20 2.03 -1.26 -4.58 116.55 110.37 1kkd n ASP 80 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1kkd n ASP 80 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1kkd n ASP 80 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1kkd n GLN 81 N 0.00 -1.51 0.00 -0.67 7.27 -1.26 -5.02 117.38 116.19 1kkd n GLN 81 Ca 0.00 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1kkd n GLN 81 Cb 0.00 -4.47 0.00 0.00 2.41 0.00 0.00 30.24 28.18 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kkd n ALA 82 N -2.63 0.00 -0.87 1.69 0.00 -1.26 -5.03 120.51 112.41 1kkd n ALA 82 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1kkd n ALA 82 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1kkd n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1kkd n ASN 83 N 0.00 -4.87 -4.11 0.00 5.15 -1.26 -4.79 115.26 105.38 1kkd n ASN 83 Ca 0.00 0.91 -0.42 0.00 -0.60 0.00 0.00 54.58 54.46 1kkd n ASN 83 Cb 0.00 -2.31 -0.00 0.00 -0.53 0.00 0.00 39.78 36.94 1kkd n ASN 83 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1kkd n THR 84 N -1.67 -2.18 0.90 -0.44 -2.24 -1.26 -4.81 114.28 102.58 1kkd n THR 84 Ca 0.00 -0.54 0.11 0.00 -2.27 0.00 0.00 64.05 61.34 1kkd n THR 84 Cb 0.17 -1.88 0.03 0.00 -2.10 0.00 0.00 70.33 66.55 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 -4.81 0.74 -2.69 3.22 -0.00 -1.26 -5.02 117.00 107.17 1kkd n LEU 85 Ca -0.15 -0.24 -0.07 0.00 -0.00 0.00 0.00 56.01 55.56 1kkd n LEU 85 Cb 0.56 -0.10 0.01 0.00 -0.00 0.00 0.00 43.42 43.89 1kkd n LEU 85 CO 0.73 0.17 0.01 0.52 -0.00 0.00 0.00 177.39 178.82 1kkd n VAL 86 N -1.60-10.20 -2.23 1.47 0.31 -1.26 -4.79 118.33 100.03 1kkd n VAL 86 Ca 0.04 0.86 -0.33 0.00 -0.01 0.00 0.00 64.34 64.90 1kkd n VAL 86 Cb 0.36 -6.93 -0.04 0.00 -0.91 0.00 0.00 33.84 26.31 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 -2.37 5.62 0.49 4.52 2.15 -1.26 -4.69 116.67 121.13 1kkd s ASP 87 Ca 0.21 -1.70 0.23 0.00 0.43 0.00 0.00 52.55 51.72 1kkd s ASP 87 Cb -0.06 -2.58 1.26 0.00 -0.30 0.00 0.00 42.92 41.24 1kkd s ASP 87 CO 0.69 -2.42 2.02 0.17 -0.17 0.00 0.00 175.17 175.45 1kkd h LEU 88 N 16.06 0.00 0.12 -1.34 -0.00 -2.05 -2.98 115.31 125.11 1kkd h LEU 88 Ca 0.26 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.15 1kkd h LEU 88 Cb 0.94 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.55 1kkd h LEU 88 CO 1.30 0.17 -0.52 0.00 -0.00 0.00 0.00 178.44 179.39 1kkd h ALA 89 N 1.83 -0.99 -1.57 0.17 0.00 -2.00 -3.34 119.26 113.37 1kkd h ALA 89 Ca -0.00 -0.11 -0.54 0.00 0.00 0.00 0.00 54.91 54.26 1kkd h ALA 89 Cb 0.40 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1kkd h ALA 89 CO 0.02 -1.12 1.13 0.21 0.00 0.00 0.00 179.25 179.49 1kkd s LYS 90 N -5.69 3.22 -1.25 0.00 2.20 -1.13 -4.90 119.74 112.19 1kkd s LYS 90 Ca -0.16 0.43 -0.07 0.00 -0.36 0.00 0.00 55.97 55.81 1kkd s LYS 90 Cb 0.06 -4.16 0.18 0.00 -1.51 0.00 0.00 37.83 32.40 1kkd s LYS 90 CO 0.59 -2.03 1.97 -2.37 -0.36 0.00 0.00 175.35 173.15 1kkd n THR 91 N 6.86 4.82 0.00 3.43 5.66 -1.26 -4.93 114.28 128.87 1kkd n THR 91 Ca 0.13 -4.66 0.00 0.00 -3.05 0.00 0.00 64.05 56.47 1kkd n THR 91 Cb 0.49 -2.20 0.00 0.00 -1.55 0.00 0.00 70.33 67.07 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02