#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 -2.23 2.89 0.00 -1.26 -4.98 118.16 112.58 1kkd n LYS 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.91 1kkd n LYS 2 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1kkd n LYS 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1kkd n LEU 3 N -2.52 7.62 0.00 3.14 7.94 -1.26 -4.52 117.00 127.41 1kkd n LEU 3 Ca 0.00 -5.05 0.00 0.00 -1.11 0.00 0.00 56.01 49.85 1kkd n LEU 3 Cb 0.00 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 42.70 1kkd n LEU 3 CO 0.00 2.02 0.00 -0.62 -1.11 0.00 0.00 177.39 177.68 1kkd n GLU 4 N 0.76 0.00 -2.70 1.96 1.02 -1.26 -5.08 120.64 115.34 1kkd n GLU 4 Ca 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.62 1kkd n GLU 4 Cb 0.27 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.76 1kkd n GLU 4 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1kkd n LEU 5 N 0.00 -1.95 -3.85 -4.62 7.94 -1.26 -5.00 117.00 108.26 1kkd n LEU 5 Ca 0.00 -2.52 -0.28 0.00 -1.11 0.00 0.00 56.01 52.10 1kkd n LEU 5 Cb 0.00 0.75 0.00 0.00 0.53 0.00 0.00 43.42 44.70 1kkd n LEU 5 CO 0.00 1.78 -0.25 1.07 -1.11 0.00 0.00 177.39 178.88 1kkd n THR 6 N 1.31 -3.11 -1.86 1.96 5.66 -1.26 -4.77 114.28 112.22 1kkd n THR 6 Ca 0.04 -0.10 -0.42 0.00 -3.05 0.00 0.00 64.05 60.52 1kkd n THR 6 Cb 0.69 -2.75 -0.03 0.00 -1.55 0.00 0.00 70.33 66.68 1kkd n THR 6 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1kkd s LYS 7 N -5.37 4.18 -0.19 1.09 0.00 -1.26 -4.96 119.74 113.22 1kkd s LYS 7 Ca 0.08 2.43 -0.15 0.00 0.00 0.00 0.00 55.97 58.32 1kkd s LYS 7 Cb -0.04 -3.49 -0.04 0.00 0.00 0.00 0.00 37.83 34.26 1kkd s LYS 7 CO 0.91 -0.74 0.35 0.00 0.00 0.00 0.00 175.35 175.87 1kkd s ALA 8 N 2.32 3.57 0.00 0.59 0.00 -1.26 -4.90 121.76 122.08 1kkd s ALA 8 Ca 0.75 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1kkd s ALA 8 Cb -0.43 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1kkd s ALA 8 CO 0.33 -0.16 0.67 0.39 0.00 0.00 0.00 175.76 176.99 1kkd n GLU 9 N 4.16 0.00 -0.03 0.00 -0.58 -1.26 -4.82 120.64 118.10 1kkd n GLU 9 Ca -0.10 -0.67 -0.04 0.00 -0.42 0.00 0.00 57.16 55.93 1kkd n GLU 9 Cb 0.51 -0.49 -0.04 0.00 -0.57 0.00 0.00 31.44 30.86 1kkd n GLU 9 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1kkd n LYS 10 N 0.00 1.24 -0.10 3.49 2.85 -1.26 -5.13 118.16 119.25 1kkd n LYS 10 Ca 0.00 0.02 0.01 0.00 -1.05 0.00 0.00 58.31 57.30 1kkd n LYS 10 Cb 0.57 -1.14 -0.00 0.00 -0.65 0.00 0.00 35.03 33.81 1kkd n LYS 10 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1kkd n HIS 11 N -2.52 -1.57 -2.70 5.58 8.25 -1.26 -4.35 115.22 116.64 1kkd n HIS 11 Ca -0.11 0.13 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 1kkd n HIS 11 Cb 0.65 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 1kkd n HIS 11 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1kkd s VAL 12 N -0.34 4.38 -0.10 1.59 -7.23 -1.26 -4.64 120.40 112.81 1kkd s VAL 12 Ca 0.00 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.11 1kkd s VAL 12 Cb 0.00 -5.08 -0.03 0.00 0.56 0.00 0.00 36.38 31.83 1kkd s VAL 12 CO 0.00 -1.88 -0.20 1.41 -0.31 0.00 0.00 175.10 174.12 1kkd n HIS 13 N 7.59 0.00 -2.83 2.82 -0.00 -1.26 -5.01 115.22 116.53 1kkd n HIS 13 Ca 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 58.14 1kkd n HIS 13 Cb 0.46 -0.28 0.01 0.00 -0.00 0.00 0.00 29.99 30.17 1kkd n HIS 13 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1kkd s ASN 14 N -5.23 -0.65 -0.08 0.41 0.01 -1.26 -5.05 114.94 103.09 1kkd s ASN 14 Ca -0.17 -0.47 -0.03 0.00 -0.71 0.00 0.00 52.86 51.48 1kkd s ASN 14 Cb 0.02 0.84 -0.01 0.00 0.41 0.00 0.00 41.25 42.51 1kkd s ASN 14 CO 0.24 -0.06 -0.07 0.15 -1.51 0.00 0.00 177.10 175.86 1kkd h PHE 15 N 5.41 0.00 -1.78 2.20 3.57 -1.95 -3.42 116.94 120.97 1kkd h PHE 15 Ca -0.00 0.00 -0.64 0.00 3.53 0.00 0.00 57.97 60.86 1kkd h PHE 15 Cb 1.20 0.00 -0.38 0.00 2.79 0.00 0.00 35.95 39.56 1kkd h PHE 15 CO -0.03 0.00 -0.26 0.00 -2.23 0.00 0.00 178.31 175.79 1kkd n MET 16 N -3.72 3.38 0.00 1.11 0.00 -1.26 -4.94 117.12 111.69 1kkd n MET 16 Ca -0.03 -4.38 0.00 0.00 0.00 0.00 0.00 57.70 53.29 1kkd n MET 16 Cb 0.10 -2.26 0.00 0.00 0.00 0.00 0.00 33.22 31.05 1kkd n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kkd n MET 17 N -0.43 0.00 0.00 3.17 0.00 -1.26 -5.12 117.12 113.47 1kkd n MET 17 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.11 1kkd n MET 17 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.73 1kkd n MET 17 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1kkd n ASP 18 N 0.00 0.00 -0.02 3.17 5.68 -1.26 -4.62 116.55 119.50 1kkd n ASP 18 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 1kkd n ASP 18 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1kkd n ASP 18 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1kkd n THR 19 N 0.00 0.21 -2.67 2.12 -2.24 -1.26 -4.96 114.28 105.47 1kkd n THR 19 Ca 0.00 -0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.64 1kkd n THR 19 Cb 0.00 -0.71 0.08 0.00 -2.10 0.00 0.00 70.33 67.60 1kkd n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkd n GLN 20 N -2.47 0.21 -1.10 -0.78 10.64 -1.26 -5.04 117.38 117.57 1kkd n GLN 20 Ca -0.06 -0.82 -0.34 0.00 -1.83 0.00 0.00 57.00 53.95 1kkd n GLN 20 Cb 0.58 -0.35 -0.03 0.00 -0.86 0.00 0.00 30.24 29.57 1kkd n GLN 20 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1kkd n LEU 21 N 1.34 5.55 -3.65 2.61 -0.00 -1.26 -4.74 117.00 116.84 1kkd n LEU 21 Ca 0.01 -3.30 -0.23 0.00 -0.00 0.00 0.00 56.01 52.49 1kkd n LEU 21 Cb 0.71 -1.26 -0.17 0.00 -0.00 0.00 0.00 43.42 42.70 1kkd n LEU 21 CO -0.11 0.61 -0.34 -0.89 -0.00 0.00 0.00 177.39 176.66 1kkd s THR 22 N 3.69 -0.05 0.07 1.47 2.01 -1.26 -5.14 115.64 116.42 1kkd s THR 22 Ca 0.51 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.57 1kkd s THR 22 Cb 0.13 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 1kkd s THR 22 CO 0.00 -0.03 0.11 -1.59 -0.69 0.00 0.00 174.62 172.42 1kkd s LYS 23 N 2.14 0.74 0.13 4.92 -2.85 -1.26 -5.01 119.74 118.55 1kkd s LYS 23 Ca 0.04 -1.01 0.06 0.00 -1.00 0.00 0.00 55.97 54.06 1kkd s LYS 23 Cb -0.14 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.88 1kkd s LYS 23 CO -0.06 -0.20 -0.14 -0.98 0.10 0.00 0.00 175.35 174.07 1kkd s ARG 24 N -3.70 1.07 -0.25 1.78 1.70 -1.26 -4.73 118.95 113.56 1kkd s ARG 24 Ca 0.04 -1.30 -0.03 0.00 -0.47 0.00 0.00 55.73 53.97 1kkd s ARG 24 Cb 0.05 -0.94 0.03 0.00 -0.57 0.00 0.00 34.95 33.52 1kkd s ARG 24 CO -0.10 0.18 0.08 1.33 -1.08 0.00 0.00 175.30 175.71 1kkd n VAL 25 N 0.39 0.00 -2.28 4.99 0.24 -1.26 0.12 118.33 120.54 1kkd n VAL 25 Ca -0.14 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.09 1kkd n VAL 25 Cb 0.57 -0.07 0.03 0.00 -1.47 0.00 0.00 33.84 32.91 1kkd n VAL 25 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1kkd n LYS 26 N -2.47 -0.98 0.00 7.34 3.00 -1.26 -3.47 118.16 120.32 1kkd n LYS 26 Ca 0.02 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 1kkd n LYS 26 Cb 0.44 -3.44 0.00 0.00 0.00 0.00 0.00 35.03 32.04 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 -2.21 0.00 0.00 3.14 4.05 0.33 -4.74 115.26 115.83 1kkd n ASN 27 Ca -0.03 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.00 1kkd n ASN 27 Cb 0.55 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.56 1kkd n ASN 27 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1kkd n ALA 28 N 0.00 0.00 -2.67 5.20 0.00 -0.42 -3.63 120.51 118.99 1kkd n ALA 28 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1kkd n ALA 28 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 0.00 -3.66 -0.39 0.00 0.00 -1.26 -5.02 120.51 110.17 1kkd n ALA 29 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 1kkd n ALA 29 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 19.45 16.21 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 2.01 -0.23 -2.05 0.00 0.00 -1.24 -4.23 120.51 114.77 1kkd n ALA 30 Ca 0.06 0.96 -0.02 0.00 0.00 0.00 0.00 53.44 54.44 1kkd n ALA 30 Cb 0.68 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -5.42 -0.49 -2.16 0.00 3.02 -1.26 -4.95 115.26 103.99 1kkd n ASN 31 Ca 0.08 -1.10 -0.02 0.00 -0.03 0.00 0.00 54.58 53.51 1kkd n ASN 31 Cb 0.37 0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1kkd n ASN 31 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1kkd n VAL 32 N -0.26 -0.07 -3.74 2.41 3.14 -1.26 0.21 118.33 118.76 1kkd n VAL 32 Ca -0.10 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.01 1kkd n VAL 32 Cb 0.53 -0.25 0.01 0.00 -1.06 0.00 0.00 33.84 33.07 1kkd n VAL 32 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1kkd n LEU 33 N -2.22 -0.69 0.00 6.55 0.00 -1.26 -4.07 117.00 115.31 1kkd n LEU 33 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 56.01 55.13 1kkd n LEU 33 Cb 0.41 -1.18 0.00 0.00 0.00 0.00 0.00 43.42 42.65 1kkd n LEU 33 CO 0.03 0.47 0.00 -1.14 0.00 0.00 0.00 177.39 176.75 1kkd n ARG 34 N -3.08 0.00 -2.93 1.96 0.63 -0.42 -5.00 116.66 107.82 1kkd n ARG 34 Ca -0.16 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.76 1kkd n ARG 34 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 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 0.00 -1.25 0.12 -0.14 1.02 0.13 -4.93 120.64 115.59 1kkd n GLU 35 Ca 0.00 1.37 0.04 0.00 -0.02 0.00 0.00 57.16 58.55 1kkd n GLU 35 Cb 0.00 -5.38 0.01 0.00 -0.02 0.00 0.00 31.44 26.05 1kkd n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kkd h THR 36 N 0.33 0.57 -0.00 2.62 1.03 -1.85 -3.01 112.91 112.60 1kkd h THR 36 Ca -0.03 -1.88 0.00 0.00 -0.01 0.00 0.00 66.41 64.48 1kkd h THR 36 Cb 1.02 2.18 0.00 0.00 -1.07 0.00 0.00 68.15 70.27 1kkd h THR 36 CO 0.28 0.33 -0.29 0.79 -0.01 0.00 0.00 175.52 176.62 1kkd n TRP 37 N -3.07 0.00 0.01 0.00 7.02 -1.26 -0.54 117.44 119.60 1kkd n TRP 37 Ca -0.01 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.49 1kkd n TRP 37 Cb 0.72 -0.22 -0.10 0.00 -2.42 0.00 0.00 31.31 29.29 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 -1.10 0.56 -0.13 -0.99 7.99 -1.18 -4.44 117.00 117.72 1kkd n LEU 38 Ca 0.10 0.24 -0.25 0.00 -0.01 0.00 0.00 56.01 56.09 1kkd n LEU 38 Cb 0.33 0.11 -0.10 0.00 -0.11 0.00 0.00 43.42 43.64 1kkd n LEU 38 CO 0.29 0.12 -1.38 2.30 -1.51 0.00 0.00 177.39 177.21 1kkd n ILE 39 N -2.71 1.44 -1.19 -0.08 -5.35 -1.14 -5.10 119.36 105.22 1kkd n ILE 39 Ca -0.11 -0.42 0.16 0.00 -0.27 0.00 0.00 62.75 62.11 1kkd n ILE 39 Cb 0.79 -1.71 -0.04 0.00 -1.74 0.00 0.00 39.64 36.94 1kkd n ILE 39 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1kkd n TYR 40 N -3.89 -2.95 -2.93 4.28 4.01 0.30 -4.95 117.16 111.02 1kkd n TYR 40 Ca -0.50 1.48 -0.06 0.00 -0.16 0.00 0.00 57.90 58.67 1kkd n TYR 40 Cb 0.90 -2.68 0.01 0.00 -0.31 0.00 0.00 39.34 37.26 1kkd n TYR 40 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1kkd n LYS 41 N -3.59 -2.40 -3.45 -0.72 4.76 -1.26 -5.01 118.16 106.50 1kkd n LYS 41 Ca 0.00 2.07 -0.24 0.00 -2.87 0.00 0.00 58.31 57.27 1kkd n LYS 41 Cb 0.64 -4.12 -0.11 0.00 -1.84 0.00 0.00 35.03 29.59 1kkd n LYS 41 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1kkd s ASN 42 N -1.67 2.47 0.29 4.39 0.01 -1.26 -5.01 114.94 114.16 1kkd s ASN 42 Ca 0.09 -1.61 0.01 0.00 -0.71 0.00 0.00 52.86 50.63 1kkd s ASN 42 Cb -0.02 -0.02 0.69 0.00 0.41 0.00 0.00 41.25 42.32 1kkd s ASN 42 CO 0.61 -0.34 1.49 1.07 -1.51 0.00 0.00 177.10 178.42 1kkd n THR 43 N 4.56 -0.40 -0.63 1.60 5.66 -1.26 -4.44 114.28 119.38 1kkd n THR 43 Ca 0.05 2.10 -0.25 0.00 -3.05 0.00 0.00 64.05 62.91 1kkd n THR 43 Cb 0.42 -3.05 0.14 0.00 -1.55 0.00 0.00 70.33 66.29 1kkd n THR 43 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1kkd n LYS 44 N -5.43 -1.79 -3.74 1.09 4.81 -1.26 -3.85 118.16 107.99 1kkd n LYS 44 Ca 0.22 -0.52 -0.23 0.00 -0.87 0.00 0.00 58.31 56.91 1kkd n LYS 44 Cb 0.70 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 34.26 1kkd n LYS 44 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1kkd n LEU 45 N -0.85 -2.25 -3.61 3.14 4.77 -1.26 -4.96 117.00 111.98 1kkd n LEU 45 Ca 0.03 -0.90 -0.26 0.00 -0.03 0.00 0.00 56.01 54.85 1kkd n LEU 45 Cb 0.48 -1.75 -0.17 0.00 -2.33 0.00 0.00 43.42 39.65 1kkd n LEU 45 CO 0.35 0.27 -0.33 0.54 -1.33 0.00 0.00 177.39 176.89 1kkd s VAL 46 N -2.98 -0.07 -0.57 4.08 0.11 -1.25 -4.93 120.40 114.80 1kkd s VAL 46 Ca 0.00 -0.20 -0.16 0.00 -2.93 0.00 0.00 61.98 58.69 1kkd s VAL 46 Cb -0.00 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.27 1kkd s VAL 46 CO 0.89 -0.29 0.64 0.29 -3.33 0.00 0.00 175.10 173.29 1kkd n LYS 47 N 5.27 -1.91 -0.99 1.54 4.01 -1.26 -4.89 118.16 119.94 1kkd n LYS 47 Ca -0.07 1.59 -0.33 0.00 -0.51 0.00 0.00 58.31 58.99 1kkd n LYS 47 Cb 0.49 -4.21 0.13 0.00 -0.51 0.00 0.00 35.03 30.92 1kkd n LYS 47 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1kkd n LYS 48 N -0.96 -0.01 -0.84 1.97 -0.00 -1.26 -4.91 118.16 112.15 1kkd n LYS 48 Ca -0.03 0.07 -0.34 0.00 -0.00 0.00 0.00 58.31 58.00 1kkd n LYS 48 Cb 0.57 -2.25 0.10 0.00 -0.00 0.00 0.00 35.03 33.44 1kkd n LYS 48 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1kkd n ILE 49 N -3.42 0.00 0.00 0.58 2.08 -1.26 -4.93 119.36 112.40 1kkd n ILE 49 Ca 0.12 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.17 1kkd n ILE 49 Cb 0.51 -0.37 0.00 0.00 -0.75 0.00 0.00 39.64 39.03 1kkd n ILE 49 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1kkd n ASP 50 N 0.51 0.00 0.08 4.38 5.68 -1.26 -5.07 116.55 120.87 1kkd n ASP 50 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1kkd n ASP 50 Cb 0.60 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 1kkd n ASP 50 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1kkd n HIS 51 N -2.14 -2.51 -3.64 2.11 -0.00 -1.26 -5.16 115.22 102.62 1kkd n HIS 51 Ca 0.00 0.47 -0.06 0.00 -0.00 0.00 0.00 57.72 58.13 1kkd n HIS 51 Cb 0.00 1.40 -0.07 0.00 -0.00 0.00 0.00 29.99 31.32 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 -1.60 -2.09 0.00 1.57 0.00 -1.26 -5.08 121.76 113.30 1kkd s ALA 52 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1kkd s ALA 52 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1kkd s ALA 52 CO 0.00 -0.18 0.56 1.17 0.00 0.00 0.00 175.76 177.31 1kkd n LYS 53 N 1.75 0.00 -0.42 0.00 3.00 -1.26 -4.71 118.16 116.51 1kkd n LYS 53 Ca -0.11 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1kkd n LYS 53 Cb 0.57 -1.09 0.00 0.00 0.00 0.00 0.00 35.03 34.50 1kkd n LYS 53 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1kkd n VAL 54 N -1.01 0.00 -2.79 3.15 3.14 -1.26 -5.06 118.33 114.49 1kkd n VAL 54 Ca 0.00 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 1kkd n VAL 54 Cb 0.00 0.44 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 1kkd n VAL 54 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1kkd n ARG 55 N 0.00 -3.01 -2.33 1.45 3.00 -1.26 -4.81 116.66 109.70 1kkd n ARG 55 Ca 0.00 2.50 -0.35 0.00 -0.00 0.00 0.00 57.85 59.99 1kkd n ARG 55 Cb 0.63 -5.42 -0.04 0.00 0.00 0.00 0.00 32.46 27.63 1kkd n ARG 55 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1kkd s LYS 56 N -2.03 3.11 0.00 -0.14 1.02 -1.26 -4.79 119.74 115.65 1kkd s LYS 56 Ca 0.10 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1kkd s LYS 56 Cb -0.03 -5.12 0.00 0.00 -0.52 0.00 0.00 37.83 32.17 1kkd s LYS 56 CO 0.77 -2.69 0.00 1.58 -0.92 0.00 0.00 175.35 174.09 1kkd n HIS 57 N 11.11 0.00 -2.54 3.18 -0.00 -1.26 -5.10 115.22 120.61 1kkd n HIS 57 Ca 0.33 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.50 1kkd n HIS 57 Cb 0.49 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 30.41 1kkd n HIS 57 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1kkd n GLN 58 N 0.00 0.52 -3.25 1.57 10.64 -1.26 -5.06 117.38 120.54 1kkd n GLN 58 Ca 0.00 -0.47 -0.13 0.00 -1.83 0.00 0.00 57.00 54.57 1kkd n GLN 58 Cb 0.00 0.18 0.01 0.00 -0.86 0.00 0.00 30.24 29.57 1kkd n GLN 58 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1kkd n ARG 59 N -0.59 -1.07 -2.99 2.61 0.63 -1.26 -4.01 116.66 109.98 1kkd n ARG 59 Ca -0.07 1.16 -0.00 0.00 -0.92 0.00 0.00 57.85 58.01 1kkd n ARG 59 Cb 0.64 -1.76 -0.00 0.00 0.45 0.00 0.00 32.46 31.79 1kkd n ARG 59 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1kkd n LYS 60 N 0.74 -1.68 -1.70 -0.14 4.76 -1.26 -4.63 118.16 114.25 1kkd n LYS 60 Ca -0.02 1.64 -0.63 0.00 -2.87 0.00 0.00 58.31 56.44 1kkd n LYS 60 Cb 0.52 -2.76 -0.09 0.00 -1.84 0.00 0.00 35.03 30.86 1kkd n LYS 60 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1kkd n PHE 61 N 1.15 1.75 -3.11 2.13 7.35 -1.26 -4.94 117.46 120.54 1kkd n PHE 61 Ca -0.01 0.90 -0.19 0.00 -0.76 0.00 0.00 57.45 57.38 1kkd n PHE 61 Cb 0.29 -2.30 0.03 0.00 0.35 0.00 0.00 39.48 37.85 1kkd n PHE 61 CO 0.00 0.00 0.00 -0.48 -0.76 0.00 0.00 176.76 175.52 1kkd s LEU 62 N 2.78 3.38 -1.14 -2.13 2.34 -1.26 -5.03 118.68 117.61 1kkd s LEU 62 Ca 1.00 -0.65 -0.05 0.00 0.06 0.00 0.00 54.13 54.49 1kkd s LEU 62 Cb -1.30 -2.14 0.27 0.00 -0.56 0.00 0.00 46.19 42.46 1kkd s LEU 62 CO 0.72 -0.99 1.64 1.67 -1.06 0.00 0.00 176.35 178.32 1kkd n GLN 63 N -1.97 4.29 -0.94 1.48 7.27 -1.26 -4.80 117.38 121.45 1kkd n GLN 63 Ca 0.10 -4.25 -0.15 0.00 0.07 0.00 0.00 57.00 52.77 1kkd n GLN 63 Cb 0.60 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.63 1kkd n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kkd n ALA 64 N 1.98 5.25 0.04 1.69 0.00 -1.26 -3.79 120.51 124.42 1kkd n ALA 64 Ca 0.32 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1kkd n ALA 64 Cb 0.33 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1kkd n ALA 64 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1kkd n ILE 65 N 0.77 0.18 -2.04 0.00 -6.64 -1.26 -4.95 119.36 105.42 1kkd n ILE 65 Ca 0.29 0.06 -0.27 0.00 -1.77 0.00 0.00 62.75 61.06 1kkd n ILE 65 Cb 0.58 -0.92 -0.06 0.00 -1.44 0.00 0.00 39.64 37.81 1kkd n ILE 65 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 1kkd s HIS 66 N -2.00 1.85 0.19 4.28 2.46 -1.25 -4.92 115.29 115.91 1kkd s HIS 66 Ca 0.00 0.61 -0.00 0.00 0.47 0.00 0.00 55.06 56.14 1kkd s HIS 66 Cb 0.00 -3.99 -0.04 0.00 -0.13 0.00 0.00 32.58 28.42 1kkd s HIS 66 CO 0.00 -1.45 0.37 -0.65 -2.47 0.00 0.00 174.74 170.54 1kkd s GLN 67 N 6.81 3.50 0.99 2.88 -0.21 -1.26 -5.08 119.66 127.29 1kkd s GLN 67 Ca 0.70 -0.40 -0.14 0.00 0.02 0.00 0.00 55.36 55.55 1kkd s GLN 67 Cb -0.04 -2.86 0.18 0.00 1.00 0.00 0.00 33.01 31.29 1kkd s GLN 67 CO 0.07 0.42 1.13 -0.51 -2.12 0.00 0.00 175.29 174.28 1kkd s LEU 68 N -3.31 1.70 0.12 2.90 1.43 -1.26 -5.08 118.68 115.17 1kkd s LEU 68 Ca 0.38 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1kkd s LEU 68 Cb -0.11 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1kkd s LEU 68 CO 0.29 -3.02 -0.02 0.00 0.23 0.00 0.00 176.35 173.83 1kkd s ARG 69 N -5.25 0.90 0.46 1.70 1.04 -1.26 -5.09 118.95 111.44 1kkd s ARG 69 Ca 0.66 -1.39 0.00 0.00 -1.04 0.00 0.00 55.73 53.96 1kkd s ARG 69 Cb -0.14 -0.08 0.00 0.00 -2.04 0.00 0.00 34.95 32.69 1kkd s ARG 69 CO 0.55 -0.11 0.00 0.43 -0.04 0.00 0.00 175.30 176.13 1kkd n SER 70 N -0.09 -7.07 -3.57 -2.89 7.64 -1.26 -4.60 113.62 101.78 1kkd n SER 70 Ca -0.10 1.25 -0.41 0.00 1.01 0.00 0.00 58.87 60.63 1kkd n SER 70 Cb 0.62 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.97 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 -1.60 5.39 -2.22 0.44 0.31 -1.26 -4.84 118.33 114.55 1kkd n VAL 71 Ca 0.00 -4.80 0.00 0.00 -0.01 0.00 0.00 64.34 59.53 1kkd n VAL 71 Cb 0.18 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 1kkd n VAL 71 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1kkd n LYS 72 N 1.46 -5.01 -2.71 5.55 4.01 -1.26 -5.03 118.16 115.16 1kkd n LYS 72 Ca 0.55 3.64 -0.08 0.00 -0.51 0.00 0.00 58.31 61.92 1kkd n LYS 72 Cb 0.26 -4.41 0.10 0.00 -0.51 0.00 0.00 35.03 30.47 1kkd n LYS 72 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1kkd n MET 73 N 1.75 1.02 -4.03 1.97 0.00 -1.26 -5.13 117.12 111.45 1kkd n MET 73 Ca 0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 57.70 55.84 1kkd n MET 73 Cb 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 33.22 32.69 1kkd n MET 73 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1kkd s GLU 74 N 0.21 1.56 1.01 3.17 0.41 -1.26 -5.16 118.70 118.64 1kkd s GLU 74 Ca 0.21 -1.36 -0.19 0.00 -0.41 0.00 0.00 54.97 53.23 1kkd s GLU 74 Cb 0.33 0.45 0.02 0.00 -1.78 0.00 0.00 34.13 33.14 1kkd s GLU 74 CO -0.07 -0.64 -0.41 1.04 -0.49 0.00 0.00 175.26 174.69 1kkd n GLN 75 N -0.39 -1.14 -1.45 1.61 6.02 -1.26 -4.75 117.38 116.02 1kkd n GLN 75 Ca -0.01 -0.33 0.19 0.00 -0.01 0.00 0.00 57.00 56.84 1kkd n GLN 75 Cb 0.62 -1.37 -0.07 0.00 1.02 0.00 0.00 30.24 30.45 1kkd n GLN 75 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1kkd n ARG 76 N -0.25 -3.13 -0.92 -1.09 1.74 -1.26 -5.00 116.66 106.75 1kkd n ARG 76 Ca 0.01 2.33 0.12 0.00 -0.77 0.00 0.00 57.85 59.54 1kkd n ARG 76 Cb 0.55 -3.74 -0.04 0.00 -1.02 0.00 0.00 32.46 28.21 1kkd n ARG 76 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kkd n LYS 77 N -4.32 -1.91 -4.19 5.56 5.02 -1.26 -4.94 118.16 112.12 1kkd n LYS 77 Ca -0.04 1.33 -0.23 0.00 -2.02 0.00 0.00 58.31 57.36 1kkd n LYS 77 Cb 0.68 -2.31 -0.07 0.00 -0.02 0.00 0.00 35.03 33.31 1kkd n LYS 77 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1kkd s LEU 78 N -5.76 3.23 0.00 -0.35 2.34 -1.26 -4.97 118.68 111.92 1kkd s LEU 78 Ca 0.00 -0.73 0.00 0.00 0.06 0.00 0.00 54.13 53.46 1kkd s LEU 78 Cb 0.00 -1.72 0.00 0.00 -0.56 0.00 0.00 46.19 43.91 1kkd s LEU 78 CO 0.00 -0.18 0.00 -3.20 -1.06 0.00 0.00 176.35 171.91 1kkd n ASN 79 N -1.04 0.00 -4.83 1.48 2.85 -1.26 -5.10 115.26 107.36 1kkd n ASN 79 Ca -0.05 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.14 1kkd n ASN 79 Cb 0.60 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.74 1kkd n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1kkd s ASP 80 N -0.97 4.00 -0.06 1.20 2.15 -1.26 -5.08 116.67 116.66 1kkd s ASP 80 Ca 0.00 0.86 -0.02 0.00 0.43 0.00 0.00 52.55 53.82 1kkd s ASP 80 Cb 0.00 -1.38 0.03 0.00 -0.30 0.00 0.00 42.92 41.27 1kkd s ASP 80 CO 0.00 -2.23 0.04 0.00 -0.17 0.00 0.00 175.17 172.81 1kkd s GLN 81 N -5.44 0.13 0.16 4.34 -2.07 -1.26 -5.14 119.66 110.38 1kkd s GLN 81 Ca 0.63 0.28 0.01 0.00 -1.82 0.00 0.00 55.36 54.45 1kkd s GLN 81 Cb -0.13 -0.71 0.01 0.00 -1.09 0.00 0.00 33.01 31.10 1kkd s GLN 81 CO 0.51 -0.34 0.06 0.00 -1.32 0.00 0.00 175.29 174.21 1kkd n ALA 82 N 5.25 0.20 -1.53 2.60 0.00 -1.26 -5.06 120.51 120.71 1kkd n ALA 82 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1kkd n ALA 82 Cb 0.50 0.33 -0.00 0.00 0.00 0.00 0.00 19.45 20.27 1kkd n ALA 82 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kkd n ASN 83 N -1.54 -8.24 -0.33 0.00 4.13 -1.26 -4.28 115.26 103.74 1kkd n ASN 83 Ca -0.03 1.83 0.24 0.00 1.68 0.00 0.00 54.58 58.29 1kkd n ASN 83 Cb 0.19 -4.93 0.46 0.00 -1.54 0.00 0.00 39.78 33.97 1kkd n ASN 83 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1kkd h THR 84 N 0.13 0.09 0.00 3.41 1.35 -2.07 -3.41 112.91 112.40 1kkd h THR 84 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1kkd h THR 84 Cb 0.95 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1kkd h THR 84 CO 0.00 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.29 1kkd n LEU 85 N -5.28 0.00 -2.50 3.87 -0.00 -1.26 -4.98 117.00 106.84 1kkd n LEU 85 Ca 0.31 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.25 1kkd n LEU 85 Cb 1.04 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 44.45 1kkd n LEU 85 CO 0.01 0.00 -0.08 0.55 -0.00 0.00 0.00 177.39 177.87 1kkd n VAL 86 N 0.00 -0.32 0.00 1.47 3.14 -1.26 -4.86 118.33 116.50 1kkd n VAL 86 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1kkd n VAL 86 Cb 0.00 -0.94 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 1kkd n VAL 86 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1kkd n ASP 87 N -1.68 0.00 -2.16 6.55 8.00 -1.26 -4.54 116.55 121.47 1kkd n ASP 87 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1kkd n ASP 87 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1kkd n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kkd n LEU 88 N 0.00 0.00 -2.95 0.64 -0.00 -1.26 -1.92 117.00 111.51 1kkd n LEU 88 Ca 0.00 0.40 -0.03 0.00 -0.00 0.00 0.00 56.01 56.38 1kkd n LEU 88 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 43.42 42.56 1kkd n LEU 88 CO 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 177.39 176.95 1kkd n ALA 89 N -2.13 -2.85 -0.87 1.47 0.00 -1.26 -4.67 120.51 110.20 1kkd n ALA 89 Ca 0.00 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.55 1kkd n ALA 89 Cb 0.40 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 1kkd n ALA 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1kkd n LYS 90 N 0.79 2.43 -1.91 0.00 2.85 -0.81 -4.41 118.16 117.10 1kkd n LYS 90 Ca 0.00 -1.60 -0.06 0.00 -1.05 0.00 0.00 58.31 55.61 1kkd n LYS 90 Cb 0.26 -2.50 -0.01 0.00 -0.65 0.00 0.00 35.03 32.12 1kkd n LYS 90 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1kkd n THR 91 N 3.99 -0.16 -0.10 0.58 -2.24 -1.26 -5.19 114.28 109.91 1kkd n THR 91 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 1kkd n THR 91 Cb 0.17 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50