#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kac s GLU 2 N 0.00 2.54 0.08 2.12 2.02 -1.26 -5.15 118.70 119.04 2kac s GLU 2 Ca 0.00 -1.54 0.03 0.00 0.02 0.00 0.00 54.97 53.48 2kac s GLU 2 Cb 0.00 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 2kac s GLU 2 CO 0.00 -0.26 -0.10 -1.83 0.02 0.00 0.00 175.26 173.10 2kac s GLU 3 N -4.18 0.75 0.32 1.61 -1.05 -1.26 -4.63 118.70 110.25 2kac s GLU 3 Ca 0.48 -1.03 0.03 0.00 -0.15 0.00 0.00 54.97 54.30 2kac s GLU 3 Cb -0.04 -0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 33.13 2kac s GLU 3 CO 0.28 0.08 0.13 0.14 0.95 0.00 0.00 175.26 176.84 2kac s VAL 4 N -2.07 0.53 -0.07 1.83 -7.23 -0.52 -4.95 120.40 107.91 2kac s VAL 4 Ca 0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2kac s VAL 4 Cb -0.05 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2kac s VAL 4 CO 0.00 0.00 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.71 2kac s THR 5 N -3.52 1.61 -0.08 5.32 2.01 -1.26 -2.16 115.64 117.55 2kac s THR 5 Ca 0.34 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.60 2kac s THR 5 Cb 0.06 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 71.17 2kac s THR 5 CO 0.16 0.46 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.73 2kac s ILE 6 N 0.29 1.64 -0.19 1.82 1.01 -0.06 -4.78 121.20 120.93 2kac s ILE 6 Ca -0.12 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 2kac s ILE 6 Cb -0.15 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 2kac s ILE 6 CO 0.05 0.47 -0.03 -0.75 0.00 0.00 0.00 174.94 174.67 2kac s LYS 7 N 0.39 3.52 -0.28 2.79 2.20 -0.52 -1.17 119.74 126.68 2kac s LYS 7 Ca -0.15 -0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 54.83 2kac s LYS 7 Cb -0.16 -2.99 -0.00 0.00 -1.51 0.00 0.00 37.83 33.17 2kac s LYS 7 CO 0.06 0.00 0.06 0.00 -0.36 0.00 0.00 175.35 175.11 2kac s ALA 8 N 0.99 3.06 -0.18 3.13 0.00 0.04 -1.77 121.76 127.03 2kac s ALA 8 Ca 0.01 -1.35 -0.19 0.00 0.00 0.00 0.00 51.96 50.42 2kac s ALA 8 Cb -0.15 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 2kac s ALA 8 CO 0.01 -0.78 0.54 -0.80 0.00 0.00 0.00 175.76 174.73 2kac s ASN 9 N 1.52 6.63 -0.07 0.00 0.01 -0.34 -2.29 114.94 120.41 2kac s ASN 9 Ca 0.04 0.76 0.05 0.00 -0.71 0.00 0.00 52.86 53.00 2kac s ASN 9 Cb -0.16 -2.31 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 2kac s ASN 9 CO 0.02 -0.16 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.46 2kac s LEU 10 N 1.44 2.16 -0.14 0.60 1.02 -0.73 -0.99 118.68 122.05 2kac s LEU 10 Ca 0.26 -0.48 -0.01 0.00 0.02 0.00 0.00 54.13 53.92 2kac s LEU 10 Cb -0.16 -1.41 0.03 0.00 0.02 0.00 0.00 46.19 44.68 2kac s LEU 10 CO 0.10 0.23 -0.05 -0.63 0.02 0.00 0.00 176.35 176.02 2kac s ILE 11 N -0.09 0.98 0.07 -0.59 1.09 -1.19 -0.41 121.20 121.07 2kac s ILE 11 Ca -0.05 -0.41 -0.20 0.00 -1.10 0.00 0.00 60.65 58.89 2kac s ILE 11 Cb -0.14 -1.10 -0.07 0.00 -1.06 0.00 0.00 42.46 40.09 2kac s ILE 11 CO 0.04 0.23 0.59 -0.36 -0.10 0.00 0.00 174.94 175.34 2kac s PHE 12 N 1.71 3.80 -0.59 3.97 0.08 -0.25 -1.14 117.98 125.55 2kac s PHE 12 Ca 0.03 1.29 0.16 0.00 0.12 0.00 0.00 56.93 58.53 2kac s PHE 12 Cb -0.14 -2.53 0.76 0.00 -0.57 0.00 0.00 43.02 40.55 2kac s PHE 12 CO -0.08 0.56 1.50 0.00 -0.10 0.00 0.00 175.22 177.09 2kac n ALA 13 N 1.83 1.31 0.31 5.36 0.00 -1.26 -2.04 120.51 126.02 2kac n ALA 13 Ca -0.10 0.08 0.19 0.00 0.00 0.00 0.00 53.44 53.62 2kac n ALA 13 Cb 0.51 -1.25 1.00 0.00 0.00 0.00 0.00 19.45 19.71 2kac n ALA 13 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kac h ASN 14 N 0.00 0.00 0.00 0.00 -1.24 -1.94 -3.46 115.58 108.94 2kac h ASN 14 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kac h ASN 14 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 2kac h ASN 14 CO 0.00 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 176.77 2kac n GLY 15 N -0.85 1.37 3.03 1.57 0.00 -0.86 -5.12 105.19 104.32 2kac n GLY 15 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 2kac n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kac s SER 16 N -2.00 1.01 0.34 1.61 1.04 -1.23 -5.04 113.70 109.42 2kac s SER 16 Ca 0.00 -0.23 0.08 0.00 0.48 0.00 0.00 55.95 56.28 2kac s SER 16 Cb 0.00 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 2kac s SER 16 CO 0.00 0.05 0.12 0.42 0.98 0.00 0.00 173.24 174.81 2kac s THR 17 N -0.41 2.96 0.16 2.02 -4.23 -1.26 -1.09 115.64 113.78 2kac s THR 17 Ca 0.01 -1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 58.73 2kac s THR 17 Cb -0.04 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 2kac s THR 17 CO -0.00 -0.19 0.17 -1.10 -0.54 0.00 0.00 174.62 172.96 2kac s GLN 18 N -3.82 1.08 0.12 3.99 -1.52 0.45 -4.95 119.66 115.01 2kac s GLN 18 Ca 0.37 -1.36 0.07 0.00 -1.95 0.00 0.00 55.36 52.49 2kac s GLN 18 Cb -0.02 0.31 -0.04 0.00 -0.22 0.00 0.00 33.01 33.04 2kac s GLN 18 CO 0.22 -0.36 -0.18 0.95 -0.25 0.00 0.00 175.29 175.68 2kac s THR 19 N -4.03 1.56 -0.06 -0.19 -4.23 -1.26 -1.78 115.64 105.65 2kac s THR 19 Ca 0.24 -1.64 -0.28 0.00 -1.18 0.00 0.00 61.69 58.82 2kac s THR 19 Cb 0.05 -1.55 0.06 0.00 1.34 0.00 0.00 72.50 72.41 2kac s THR 19 CO 0.03 -0.23 0.63 0.00 -0.54 0.00 0.00 174.62 174.51 2kac s ALA 20 N -1.62 -1.62 0.02 3.99 0.00 -0.97 -4.96 121.76 116.60 2kac s ALA 20 Ca 0.08 1.23 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 2kac s ALA 20 Cb -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2kac s ALA 20 CO 0.04 -0.35 0.19 -1.83 0.00 0.00 0.00 175.76 173.81 2kac s GLU 21 N -1.07 0.62 0.01 0.00 1.03 -1.26 -0.78 118.70 117.24 2kac s GLU 21 Ca -0.10 -0.50 0.00 0.00 0.03 0.00 0.00 54.97 54.39 2kac s GLU 21 Cb -0.01 0.26 -0.01 0.00 -0.80 0.00 0.00 34.13 33.57 2kac s GLU 21 CO 0.08 -0.17 -0.01 -0.06 -1.33 0.00 0.00 175.26 173.77 2kac s PHE 22 N -2.03 0.10 -0.06 4.83 0.08 -0.31 -5.00 117.98 115.60 2kac s PHE 22 Ca -0.09 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.81 2kac s PHE 22 Cb -0.04 -0.07 0.02 0.00 -0.57 0.00 0.00 43.02 42.36 2kac s PHE 22 CO -0.01 -0.05 -0.07 -1.21 -0.10 0.00 0.00 175.22 173.77 2kac s GLU 23 N -0.43 1.21 0.00 0.44 2.02 -1.26 -0.88 118.70 119.79 2kac s GLU 23 Ca -0.04 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2kac s GLU 23 Cb -0.03 -1.12 0.00 0.00 0.10 0.00 0.00 34.13 33.08 2kac s GLU 23 CO -0.00 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.62 2kac n GLY 24 N 4.08 -0.39 3.73 -1.39 0.00 -0.92 -4.91 105.19 105.40 2kac n GLY 24 Ca -0.22 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 2kac n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kac s THR 25 N -3.34 2.88 0.16 2.61 -4.23 -1.26 -1.44 115.64 111.02 2kac s THR 25 Ca 0.00 0.29 -0.20 0.00 -1.18 0.00 0.00 61.69 60.60 2kac s THR 25 Cb 0.00 -2.76 0.08 0.00 1.34 0.00 0.00 72.50 71.16 2kac s THR 25 CO 0.00 -0.37 1.63 0.15 -0.54 0.00 0.00 174.62 175.49 2kac h PHE 26 N -1.41 -0.52 0.00 3.99 3.57 -1.94 -1.27 116.94 119.36 2kac h PHE 26 Ca -0.47 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 60.95 2kac h PHE 26 Cb 1.26 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.27 2kac h PHE 26 CO 0.48 -0.28 -0.58 1.49 -2.23 0.00 0.00 178.31 177.19 2kac h GLU 27 N -0.15 0.00 0.00 1.11 4.81 -1.99 -2.90 114.58 115.46 2kac h GLU 27 Ca 0.18 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 2kac h GLU 27 Cb 0.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2kac h GLU 27 CO -0.45 0.58 -0.23 1.49 -0.73 0.00 0.00 179.01 179.66 2kac h GLU 28 N 0.00 0.00 0.00 1.92 4.81 -1.70 -0.26 114.58 119.35 2kac h GLU 28 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kac h GLU 28 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2kac h GLU 28 CO 0.08 0.23 -1.17 0.00 -0.73 0.00 0.00 179.01 177.42 2kac n ALA 29 N -2.22 2.94 0.08 2.92 0.00 -0.56 -3.46 120.51 120.21 2kac n ALA 29 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 2kac n ALA 29 Cb 0.45 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 2kac n ALA 29 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2kac h THR 30 N 0.00 1.33 0.00 0.00 2.02 -1.16 -1.82 112.91 113.28 2kac h THR 30 Ca 0.00 -2.58 -0.04 0.00 0.77 0.00 0.00 66.41 64.56 2kac h THR 30 Cb 0.88 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 70.34 2kac h THR 30 CO 0.00 0.76 -0.21 -1.28 0.37 0.00 0.00 175.52 175.16 2kac h SER 31 N -0.15 0.00 0.13 4.18 0.87 -1.19 -2.33 113.55 115.06 2kac h SER 31 Ca -0.22 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.13 2kac h SER 31 Cb 1.88 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.86 2kac h SER 31 CO 0.19 0.21 -0.90 -0.33 -0.53 0.00 0.00 176.83 175.47 2kac h GLU 32 N 0.00 0.38 -0.11 2.24 4.39 -1.61 -0.58 114.58 119.29 2kac h GLU 32 Ca -0.00 -0.58 0.03 0.00 0.34 0.00 0.00 59.36 59.15 2kac h GLU 32 Cb 0.56 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2kac h GLU 32 CO 0.03 1.26 0.13 0.00 -1.16 0.00 0.00 179.01 179.26 2kac h ALA 33 N 0.15 1.68 0.00 3.43 0.00 -0.81 1.00 119.26 124.71 2kac h ALA 33 Ca -0.15 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.42 2kac h ALA 33 Cb 1.68 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 2kac h ALA 33 CO 0.17 -0.18 -2.27 0.66 0.00 0.00 0.00 179.25 177.63 2kac n TYR 34 N -3.79 0.00 0.04 0.00 4.01 -0.97 -4.21 117.16 112.24 2kac n TYR 34 Ca -0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 2kac n TYR 34 Cb 0.23 -0.91 0.14 0.00 -0.31 0.00 0.00 39.34 38.49 2kac n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kac h ALA 35 N 0.83 0.91 -0.70 -0.72 0.00 -0.49 -0.32 119.26 118.78 2kac h ALA 35 Ca -0.50 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 53.92 2kac h ALA 35 Cb 2.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 2kac h ALA 35 CO 0.02 0.65 0.29 -0.92 0.00 0.00 0.00 179.25 179.28 2kac h TYR 36 N 0.34 1.03 -0.06 0.00 5.03 -1.04 -1.56 116.97 120.71 2kac h TYR 36 Ca 0.02 -0.06 -0.14 0.00 2.58 0.00 0.00 58.73 61.13 2kac h TYR 36 Cb 0.93 -0.32 0.01 0.00 1.55 0.00 0.00 36.73 38.90 2kac h TYR 36 CO 0.03 0.78 -0.52 0.00 -1.32 0.00 0.00 178.16 177.13 2kac h ALA 37 N 1.31 0.15 -0.84 1.82 0.00 -1.63 -3.29 119.26 116.77 2kac h ALA 37 Ca 0.24 -0.52 0.12 0.00 0.00 0.00 0.00 54.91 54.75 2kac h ALA 37 Cb 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2kac h ALA 37 CO -0.02 0.35 0.55 0.22 0.00 0.00 0.00 179.25 180.35 2kac h ASP 38 N 0.01 0.64 0.47 0.00 1.82 -0.75 0.34 116.42 118.95 2kac h ASP 38 Ca -0.05 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2kac h ASP 38 Cb 1.19 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.10 2kac h ASP 38 CO 0.11 0.35 0.00 1.07 -1.61 0.00 0.00 179.24 179.16 2kac n THR 39 N -4.53 1.04 0.29 2.25 5.66 -0.61 -1.91 114.28 116.47 2kac n THR 39 Ca 0.15 0.34 0.03 0.00 -3.05 0.00 0.00 64.05 61.53 2kac n THR 39 Cb 0.41 -1.23 -0.04 0.00 -1.55 0.00 0.00 70.33 67.92 2kac n THR 39 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kac n LEU 40 N -1.93 0.29 -0.11 1.09 4.77 -0.00 -4.59 117.00 116.51 2kac n LEU 40 Ca 0.02 -0.43 -0.03 0.00 -0.03 0.00 0.00 56.01 55.54 2kac n LEU 40 Cb 0.16 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.43 2kac n LEU 40 CO 0.14 0.07 0.93 -0.08 -1.33 0.00 0.00 177.39 177.13 2kac h GLU 41 N 0.00 0.79 0.00 3.23 4.81 -0.54 -1.05 114.58 121.82 2kac h GLU 41 Ca 0.00 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2kac h GLU 41 Cb 0.19 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2kac h GLU 41 CO 0.00 0.75 -0.07 1.49 -0.73 0.00 0.00 179.01 180.45 2kac h GLU 42 N 0.75 0.00 -0.02 1.92 4.57 -1.81 0.21 114.58 120.20 2kac h GLU 42 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2kac h GLU 42 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2kac h GLU 42 CO 0.01 0.07 -0.08 -3.47 -1.18 0.00 0.00 179.01 174.36 2kac n ASP 43 N -3.26 2.18 0.00 1.04 2.03 -0.74 -4.68 116.55 113.13 2kac n ASP 43 Ca -0.00 -1.59 0.00 0.00 0.52 0.00 0.00 54.79 53.71 2kac n ASP 43 Cb 0.29 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 2kac n ASP 43 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kac n ASN 44 N 0.66 0.00 0.00 1.67 3.02 -0.48 -5.10 115.26 115.04 2kac n ASN 44 Ca 0.09 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2kac n ASN 44 Cb 0.39 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 2kac n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kac n GLY 45 N 0.00 -1.88 3.54 7.41 0.00 0.71 -3.48 105.19 111.49 2kac n GLY 45 Ca 0.00 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 2kac n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kac n GLU 46 N 0.00 -0.03 -3.94 1.61 1.02 -1.26 -4.56 120.64 113.48 2kac n GLU 46 Ca 0.00 0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 2kac n GLU 46 Cb 0.00 -2.09 -0.06 0.00 -0.02 0.00 0.00 31.44 29.28 2kac n GLU 46 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2kac s TRP 47 N -2.23 0.32 0.15 -0.32 1.48 -1.26 -1.83 118.94 115.24 2kac s TRP 47 Ca 0.65 -0.67 0.05 0.00 -1.06 0.00 0.00 56.10 55.07 2kac s TRP 47 Cb -0.27 0.10 -0.04 0.00 -1.16 0.00 0.00 33.47 32.10 2kac s TRP 47 CO 0.59 -0.85 -0.12 0.95 -4.06 0.00 0.00 176.95 173.46 2kac s THR 48 N -3.97 1.29 -0.01 0.66 -4.23 -0.51 -4.95 115.64 103.92 2kac s THR 48 Ca 0.18 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 2kac s THR 48 Cb 0.01 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.08 2kac s THR 48 CO 0.03 -0.63 0.05 0.54 -0.54 0.00 0.00 174.62 174.07 2kac s VAL 49 N -2.91 0.02 -0.11 2.29 0.11 -1.26 -1.38 120.40 117.16 2kac s VAL 49 Ca 0.15 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 2kac s VAL 49 Cb -0.00 -0.12 -0.00 0.00 -1.53 0.00 0.00 36.38 34.72 2kac s VAL 49 CO 0.02 -0.08 -0.21 -0.62 -3.33 0.00 0.00 175.10 170.89 2kac s ASP 50 N -0.22 3.36 -0.16 3.54 2.15 0.04 -4.98 116.67 120.40 2kac s ASP 50 Ca -0.03 -0.49 -0.15 0.00 0.43 0.00 0.00 52.55 52.31 2kac s ASP 50 Cb -0.02 -1.47 -0.04 0.00 -0.30 0.00 0.00 42.92 41.09 2kac s ASP 50 CO 0.00 0.16 0.35 -0.69 -0.17 0.00 0.00 175.17 174.81 2kac s VAL 51 N 0.37 5.26 0.25 1.11 1.01 -1.26 -1.61 120.40 125.53 2kac s VAL 51 Ca -0.16 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 2kac s VAL 51 Cb -0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2kac s VAL 51 CO 0.08 0.35 0.24 0.00 0.00 0.00 0.00 175.10 175.76 2kac s ALA 52 N 0.70 1.07 -1.48 5.51 0.00 -0.82 -4.92 121.76 121.82 2kac s ALA 52 Ca 0.19 -1.64 -0.09 0.00 0.00 0.00 0.00 51.96 50.42 2kac s ALA 52 Cb -0.14 1.34 0.06 0.00 0.00 0.00 0.00 23.12 24.39 2kac s ALA 52 CO 0.06 -0.66 0.76 -3.47 0.00 0.00 0.00 175.76 172.45 2kac n ASP 53 N -0.65 -2.73 -0.89 0.00 2.03 -1.26 -1.15 116.55 111.89 2kac n ASP 53 Ca 0.03 -0.88 -0.11 0.00 0.52 0.00 0.00 54.79 54.34 2kac n ASP 53 Cb 0.64 -3.55 -0.05 0.00 -0.72 0.00 0.00 41.12 37.45 2kac n ASP 53 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kac n GLU 54 N -4.48 -1.68 0.00 -0.67 1.02 -1.26 -1.57 120.64 112.00 2kac n GLU 54 Ca -0.11 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 2kac n GLU 54 Cb 0.59 -5.24 0.00 0.00 -0.02 0.00 0.00 31.44 26.77 2kac n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kac n GLY 55 N 0.20 0.93 0.15 0.62 0.00 -0.30 -4.97 105.19 101.81 2kac n GLY 55 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 2kac n GLY 55 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2kac h TYR 56 N 0.00 0.00 -3.10 1.61 0.05 -1.27 -3.41 116.97 110.84 2kac h TYR 56 Ca 0.00 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.15 2kac h TYR 56 Cb 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 36.73 37.39 2kac h TYR 56 CO 0.00 0.00 -0.85 0.99 -1.05 0.00 0.00 178.16 177.25 2kac s THR 57 N -3.27 1.78 -0.26 -2.88 2.01 -1.06 -1.44 115.64 110.53 2kac s THR 57 Ca 0.07 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2kac s THR 57 Cb 0.10 -1.63 0.06 0.00 0.01 0.00 0.00 72.50 71.03 2kac s THR 57 CO 0.51 0.49 -0.11 -0.76 -0.69 0.00 0.00 174.62 174.07 2kac s LEU 58 N 1.37 3.38 -0.55 4.42 1.43 -0.73 -1.94 118.68 126.05 2kac s LEU 58 Ca 0.04 -1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 51.59 2kac s LEU 58 Cb -0.13 -1.53 0.09 0.00 0.03 0.00 0.00 46.19 44.65 2kac s LEU 58 CO -0.11 -0.19 0.62 0.20 0.23 0.00 0.00 176.35 177.11 2kac s ASN 59 N 1.12 6.19 -0.12 2.29 0.01 -0.63 -1.19 114.94 122.60 2kac s ASN 59 Ca -0.09 -1.36 -0.07 0.00 -0.71 0.00 0.00 52.86 50.63 2kac s ASN 59 Cb -0.20 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 2kac s ASN 59 CO -0.05 -0.98 0.14 -0.63 -1.51 0.00 0.00 177.10 174.07 2kac s ILE 60 N 2.40 5.50 -0.06 0.60 1.01 -0.16 -0.78 121.20 129.71 2kac s ILE 60 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2kac s ILE 60 Cb -0.24 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.86 2kac s ILE 60 CO 0.07 0.62 -0.03 -1.61 0.00 0.00 0.00 174.94 173.99 2kac s GLU 61 N -1.02 0.83 0.34 2.79 8.01 -0.48 -3.16 118.70 126.02 2kac s GLU 61 Ca 0.15 -0.05 -0.16 0.00 0.01 0.00 0.00 54.97 54.92 2kac s GLU 61 Cb -0.12 -0.97 -0.09 0.00 -4.31 0.00 0.00 34.13 28.64 2kac s GLU 61 CO 0.04 -0.18 0.77 -0.06 0.01 0.00 0.00 175.26 175.85 2kac s PHE 62 N 1.36 3.37 -0.03 1.61 0.08 -0.29 -1.42 117.98 122.66 2kac s PHE 62 Ca -0.04 1.29 0.12 0.00 0.12 0.00 0.00 56.93 58.42 2kac s PHE 62 Cb -0.13 -2.59 -0.21 0.00 -0.57 0.00 0.00 43.02 39.51 2kac s PHE 62 CO -0.03 0.07 0.77 0.00 -0.10 0.00 0.00 175.22 175.93 2kac h ALA 63 N 2.23 0.71 0.00 5.36 0.00 -1.65 -3.37 119.26 122.54 2kac h ALA 63 Ca -0.48 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.12 2kac h ALA 63 Cb 1.18 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2kac h ALA 63 CO 0.65 1.45 0.00 0.41 0.00 0.00 0.00 179.25 181.76