#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kac n GLU 2 N 0.00 2.70 -0.60 0.03 2.13 -1.26 -5.06 120.64 118.58 2kac n GLU 2 Ca 0.00 -1.88 -0.29 0.00 0.66 0.00 0.00 57.16 55.65 2kac n GLU 2 Cb 0.00 -1.20 0.23 0.00 0.27 0.00 0.00 31.44 30.75 2kac n GLU 2 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2kac s GLU 3 N -1.41 -0.47 0.39 5.31 -1.05 -1.26 -4.91 118.70 115.30 2kac s GLU 3 Ca 0.13 0.99 0.04 0.00 -0.15 0.00 0.00 54.97 55.98 2kac s GLU 3 Cb 0.09 -1.59 -0.04 0.00 -0.44 0.00 0.00 34.13 32.15 2kac s GLU 3 CO 0.05 -3.47 0.07 0.14 0.95 0.00 0.00 175.26 173.00 2kac s VAL 4 N -2.52 1.04 -0.27 1.83 -7.23 0.03 -4.93 120.40 108.36 2kac s VAL 4 Ca 0.68 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.84 2kac s VAL 4 Cb -0.24 -2.55 0.08 0.00 0.56 0.00 0.00 36.38 34.23 2kac s VAL 4 CO 0.63 0.00 0.07 -0.89 -0.31 0.00 0.00 175.10 174.60 2kac s THR 5 N -3.15 0.80 -0.17 5.32 2.01 -1.26 -2.73 115.64 116.46 2kac s THR 5 Ca 0.27 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 2kac s THR 5 Cb 0.05 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 2kac s THR 5 CO 0.13 -0.49 -0.00 -0.63 -0.69 0.00 0.00 174.62 172.94 2kac s ILE 6 N 1.68 4.13 -0.18 1.82 1.01 -0.21 -4.91 121.20 124.53 2kac s ILE 6 Ca 0.05 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.35 2kac s ILE 6 Cb -0.17 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 2kac s ILE 6 CO -0.19 0.47 0.11 -0.75 0.00 0.00 0.00 174.94 174.58 2kac s LYS 7 N 0.55 4.02 -0.33 2.79 2.20 -0.40 -1.31 119.74 127.25 2kac s LYS 7 Ca -0.01 -0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 55.28 2kac s LYS 7 Cb -0.14 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 2kac s LYS 7 CO 0.02 0.37 0.13 0.00 -0.36 0.00 0.00 175.35 175.51 2kac s ALA 8 N 0.14 3.14 -0.23 3.13 0.00 0.37 -1.48 121.76 126.83 2kac s ALA 8 Ca 0.08 -1.60 -0.23 0.00 0.00 0.00 0.00 51.96 50.21 2kac s ALA 8 Cb -0.11 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 2kac s ALA 8 CO -0.01 -1.17 0.76 -0.80 0.00 0.00 0.00 175.76 174.54 2kac s ASN 9 N 1.50 6.76 -0.31 0.00 0.01 -0.05 -1.41 114.94 121.45 2kac s ASN 9 Ca 0.01 0.94 -0.04 0.00 -0.71 0.00 0.00 52.86 53.06 2kac s ASN 9 Cb -0.18 -2.40 0.04 0.00 0.41 0.00 0.00 41.25 39.11 2kac s ASN 9 CO 0.04 -0.44 0.04 -0.76 -1.51 0.00 0.00 177.10 174.47 2kac s LEU 10 N 2.60 3.98 -0.04 0.60 1.43 -0.02 -1.35 118.68 125.88 2kac s LEU 10 Ca 0.32 -1.13 0.06 0.00 -1.03 0.00 0.00 54.13 52.35 2kac s LEU 10 Cb -0.15 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 2kac s LEU 10 CO 0.08 -0.27 -0.21 -0.63 0.23 0.00 0.00 176.35 175.56 2kac s ILE 11 N 1.34 1.71 0.06 -0.59 1.09 -0.91 -0.76 121.20 123.15 2kac s ILE 11 Ca -0.03 -0.89 0.06 0.00 -1.10 0.00 0.00 60.65 58.69 2kac s ILE 11 Cb -0.19 -1.45 -0.03 0.00 -1.06 0.00 0.00 42.46 39.74 2kac s ILE 11 CO 0.00 0.48 -0.17 -0.36 -0.10 0.00 0.00 174.94 174.80 2kac s PHE 12 N -0.20 1.43 -1.74 3.97 0.40 -1.07 -1.14 117.98 119.65 2kac s PHE 12 Ca 0.00 -0.39 0.25 0.00 -0.60 0.00 0.00 56.93 56.19 2kac s PHE 12 Cb -0.11 -0.83 1.38 0.00 0.51 0.00 0.00 43.02 43.97 2kac s PHE 12 CO 0.02 0.08 1.85 0.00 0.70 0.00 0.00 175.22 177.86 2kac n ALA 13 N 1.63 2.35 0.14 5.36 0.00 -1.16 -3.23 120.51 125.60 2kac n ALA 13 Ca -0.19 -0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.18 2kac n ALA 13 Cb 0.54 -1.40 0.35 0.00 0.00 0.00 0.00 19.45 18.94 2kac n ALA 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kac n ASN 14 N -1.13 0.34 0.00 0.00 3.02 -1.26 -4.80 115.26 111.42 2kac n ASN 14 Ca 0.16 0.65 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 2kac n ASN 14 Cb 0.14 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 2kac n ASN 14 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kac n GLY 15 N -1.20 1.43 3.12 7.41 0.00 -1.20 -5.13 105.19 109.63 2kac n GLY 15 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2kac n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kac s SER 16 N -2.00 0.31 0.03 1.61 0.01 -1.23 -5.09 113.70 107.34 2kac s SER 16 Ca 0.00 -0.77 0.08 0.00 1.31 0.00 0.00 55.95 56.57 2kac s SER 16 Cb 0.00 0.24 -0.03 0.00 0.21 0.00 0.00 66.02 66.44 2kac s SER 16 CO 0.00 -0.60 -0.23 0.42 0.41 0.00 0.00 173.24 173.24 2kac s THR 17 N -3.48 1.86 0.10 1.44 -4.23 -1.26 -2.59 115.64 107.48 2kac s THR 17 Ca 0.03 -1.23 -0.14 0.00 -1.18 0.00 0.00 61.69 59.17 2kac s THR 17 Cb 0.04 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.31 2kac s THR 17 CO -0.09 0.31 0.33 -1.10 -0.54 0.00 0.00 174.62 173.54 2kac s GLN 18 N -1.09 0.98 -0.05 3.99 -0.21 0.06 -5.03 119.66 118.31 2kac s GLN 18 Ca 0.09 -0.74 -0.10 0.00 0.02 0.00 0.00 55.36 54.63 2kac s GLN 18 Cb -0.09 0.42 0.02 0.00 1.00 0.00 0.00 33.01 34.36 2kac s GLN 18 CO 0.01 -0.36 0.24 0.99 -2.12 0.00 0.00 175.29 174.06 2kac s THR 19 N -3.64 0.03 0.05 -0.19 2.01 -1.26 -0.84 115.64 111.80 2kac s THR 19 Ca 0.02 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.75 2kac s THR 19 Cb 0.02 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 2kac s THR 19 CO -0.11 -0.15 -0.05 0.00 -0.69 0.00 0.00 174.62 173.63 2kac s ALA 20 N -0.57 0.51 -0.03 7.40 0.00 -0.50 -4.97 121.76 123.60 2kac s ALA 20 Ca -0.07 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.94 2kac s ALA 20 Cb -0.04 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2kac s ALA 20 CO 0.02 -0.21 -0.09 -1.83 0.00 0.00 0.00 175.76 173.64 2kac s GLU 21 N -2.75 1.02 0.04 0.00 -1.05 -1.26 -0.48 118.70 114.22 2kac s GLU 21 Ca -0.02 -0.32 0.07 0.00 -0.15 0.00 0.00 54.97 54.55 2kac s GLU 21 Cb -0.01 -0.94 -0.02 0.00 -0.44 0.00 0.00 34.13 32.71 2kac s GLU 21 CO -0.04 0.12 -0.21 -0.06 0.95 0.00 0.00 175.26 176.02 2kac s PHE 22 N 0.20 1.80 0.14 4.83 0.40 -0.43 -5.00 117.98 119.92 2kac s PHE 22 Ca -0.03 -0.37 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 2kac s PHE 22 Cb -0.09 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.32 2kac s PHE 22 CO 0.01 0.08 -0.15 -1.21 0.70 0.00 0.00 175.22 174.65 2kac s GLU 23 N -1.15 1.12 0.00 0.44 8.01 -1.26 -1.05 118.70 124.81 2kac s GLU 23 Ca 0.07 -1.31 0.00 0.00 0.01 0.00 0.00 54.97 53.74 2kac s GLU 23 Cb -0.09 -1.05 0.00 0.00 -4.31 0.00 0.00 34.13 28.68 2kac s GLU 23 CO 0.02 0.20 0.00 0.41 0.01 0.00 0.00 175.26 175.90 2kac n GLY 24 N 0.40 0.84 3.53 -1.39 0.00 -1.11 -4.55 105.19 102.93 2kac n GLY 24 Ca -0.14 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.97 1.96 0.20 2.61 -4.23 -1.26 -0.79 115.64 111.16 2kac s THR 25 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 2kac s THR 25 Cb 0.00 -2.21 0.13 0.00 1.34 0.00 0.00 72.50 71.76 2kac s THR 25 CO 0.00 0.00 1.83 0.15 -0.54 0.00 0.00 174.62 176.06 2kac h PHE 26 N -2.49 0.73 0.00 3.99 3.04 -1.95 0.16 116.94 120.42 2kac h PHE 26 Ca -0.59 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.26 2kac h PHE 26 Cb 1.34 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.60 2kac h PHE 26 CO 0.05 0.40 -0.55 0.93 -2.02 0.00 0.00 178.31 177.12 2kac h GLU 27 N 0.76 0.00 0.00 1.11 3.07 -1.99 -3.17 114.58 114.36 2kac h GLU 27 Ca 0.27 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.04 2kac h GLU 27 Cb 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2kac h GLU 27 CO -0.13 0.55 -0.49 1.49 -1.40 0.00 0.00 179.01 179.03 2kac h GLU 28 N 0.00 0.00 -0.00 2.33 4.81 -1.72 -0.09 114.58 119.90 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 0.07 0.39 -0.23 0.00 -0.73 0.00 0.00 179.01 178.52 2kac n ALA 29 N -2.22 2.97 -0.08 2.92 0.00 -0.02 -3.02 120.51 121.07 2kac n ALA 29 Ca 0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 2kac n ALA 29 Cb 0.70 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 2kac n ALA 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kac n THR 30 N -1.16 0.88 0.18 0.00 -1.04 -1.16 -4.41 114.28 107.58 2kac n THR 30 Ca 0.10 -0.32 0.05 0.00 -2.04 0.00 0.00 64.05 61.85 2kac n THR 30 Cb 0.32 -1.17 0.28 0.00 -1.82 0.00 0.00 70.33 67.94 2kac n THR 30 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2kac h SER 31 N -0.11 0.00 -0.34 8.00 0.87 -1.10 -2.49 113.55 118.38 2kac h SER 31 Ca -0.36 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.05 2kac h SER 31 Cb 1.50 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.45 2kac h SER 31 CO -0.09 0.39 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.89 2kac h GLU 32 N 0.00 0.86 -0.08 2.24 4.39 -1.78 -0.85 114.58 119.35 2kac h GLU 32 Ca -0.00 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 2kac h GLU 32 Cb 0.99 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2kac h GLU 32 CO 0.05 1.11 0.02 0.00 -1.16 0.00 0.00 179.01 179.02 2kac h ALA 33 N 0.73 0.11 0.00 3.43 0.00 -1.74 -2.01 119.26 119.79 2kac h ALA 33 Ca 0.05 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2kac h ALA 33 Cb 0.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2kac h ALA 33 CO 0.09 -0.25 -0.49 1.88 0.00 0.00 0.00 179.25 180.49 2kac h TYR 34 N -0.09 0.00 -0.50 0.00 0.05 -1.38 -1.73 116.97 113.31 2kac h TYR 34 Ca 0.03 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 2kac h TYR 34 Cb 0.27 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 2kac h TYR 34 CO 0.01 0.49 0.07 0.00 -1.05 0.00 0.00 178.16 177.68 2kac h ALA 35 N 1.51 1.18 -0.19 3.88 0.00 -0.98 0.11 119.26 124.77 2kac h ALA 35 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2kac h ALA 35 Cb 0.90 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2kac h ALA 35 CO 0.06 0.55 -0.03 -0.92 0.00 0.00 0.00 179.25 178.91 2kac h TYR 36 N 0.76 0.39 -0.30 0.00 3.20 -0.60 -2.40 116.97 118.02 2kac h TYR 36 Ca 0.16 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2kac h TYR 36 Cb 0.36 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2kac h TYR 36 CO 0.02 0.59 -0.07 0.00 -1.64 0.00 0.00 178.16 177.06 2kac h ALA 37 N 0.75 1.32 0.00 1.82 0.00 -0.92 -2.36 119.26 119.86 2kac h ALA 37 Ca 0.05 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2kac h ALA 37 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kac h ALA 37 CO 0.01 0.46 -0.28 -0.44 0.00 0.00 0.00 179.25 179.00 2kac h ASP 38 N 0.46 0.00 0.05 0.00 5.19 -0.64 -2.21 116.42 119.27 2kac h ASP 38 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2kac h ASP 38 Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2kac h ASP 38 CO 0.02 0.28 -0.06 1.07 -3.12 0.00 0.00 179.24 177.44 2kac n THR 39 N -3.97 0.00 -0.08 0.35 5.66 -0.90 -3.99 114.28 111.35 2kac n THR 39 Ca -0.02 -0.21 -0.07 0.00 -3.05 0.00 0.00 64.05 60.70 2kac n THR 39 Cb 0.35 0.43 -0.13 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.06 0.00 0.29 1.09 4.77 -0.87 -4.38 117.00 117.83 2kac n LEU 40 Ca 0.18 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.32 2kac n LEU 40 Cb 0.34 0.38 0.84 0.00 -2.33 0.00 0.00 43.42 42.65 2kac n LEU 40 CO 0.19 0.38 1.03 1.05 -1.33 0.00 0.00 177.39 178.71 2kac h GLU 41 N 0.00 0.00 0.00 3.23 -0.00 -1.58 -1.86 114.58 114.38 2kac h GLU 41 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.95 2kac h GLU 41 Cb 1.93 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.68 2kac h GLU 41 CO 0.02 0.05 0.00 0.39 -0.00 0.00 0.00 179.01 179.48 2kac n GLU 42 N -3.31 0.11 0.00 1.06 -0.58 -1.26 -2.43 120.64 114.23 2kac n GLU 42 Ca -0.01 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2kac n GLU 42 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2kac n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kac n ASP 43 N -1.17 0.00 -0.00 1.62 2.03 -1.06 -4.99 116.55 112.98 2kac n ASP 43 Ca 0.03 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.34 2kac n ASP 43 Cb 0.03 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.43 2kac n ASP 43 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2kac h ASN 44 N 0.00 0.00 -0.93 1.67 2.35 -1.33 -3.52 115.58 113.82 2kac h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kac h ASN 44 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2kac h ASN 44 CO 0.00 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 2kac n GLY 45 N 1.93 -1.79 3.70 2.83 0.00 -1.02 -4.91 105.19 105.93 2kac n GLY 45 Ca -0.00 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 2kac n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kac s GLU 46 N -1.81 1.36 0.05 1.61 2.02 -1.26 -4.29 118.70 116.37 2kac s GLU 46 Ca 0.00 1.17 -0.01 0.00 0.02 0.00 0.00 54.97 56.15 2kac s GLU 46 Cb 0.00 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 2kac s GLU 46 CO 0.00 -2.28 -0.01 1.67 0.02 0.00 0.00 175.26 174.66 2kac s TRP 47 N -2.79 0.47 0.30 1.61 1.48 -1.26 -1.56 118.94 117.17 2kac s TRP 47 Ca 0.64 -0.98 0.10 0.00 -1.06 0.00 0.00 56.10 54.80 2kac s TRP 47 Cb -0.20 -0.35 -0.05 0.00 -1.16 0.00 0.00 33.47 31.72 2kac s TRP 47 CO 0.58 -0.37 -0.06 0.95 -4.06 0.00 0.00 176.95 173.98 2kac s THR 48 N -3.67 2.85 0.03 0.66 -4.23 -0.17 -4.95 115.64 106.15 2kac s THR 48 Ca 0.05 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 2kac s THR 48 Cb 0.06 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2kac s THR 48 CO -0.09 -0.32 0.03 0.54 -0.54 0.00 0.00 174.62 174.23 2kac s VAL 49 N -2.45 0.13 -0.10 2.29 0.11 -1.26 -1.01 120.40 118.11 2kac s VAL 49 Ca 0.32 -1.10 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2kac s VAL 49 Cb -0.04 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2kac s VAL 49 CO 0.18 -0.60 -0.02 -1.81 -3.33 0.00 0.00 175.10 169.51 2kac s ASP 50 N -1.90 1.93 -0.23 3.54 1.01 -0.40 -4.98 116.67 115.63 2kac s ASP 50 Ca -0.09 -0.23 -0.29 0.00 0.71 0.00 0.00 52.55 52.65 2kac s ASP 50 Cb -0.04 -0.60 0.01 0.00 1.01 0.00 0.00 42.92 43.30 2kac s ASP 50 CO -0.03 -0.18 1.02 -0.69 0.21 0.00 0.00 175.17 175.50 2kac s VAL 51 N 1.87 4.69 0.32 -1.27 1.01 -1.26 -1.76 120.40 124.00 2kac s VAL 51 Ca 0.04 1.98 0.04 0.00 0.00 0.00 0.00 61.98 64.04 2kac s VAL 51 Cb -0.13 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2kac s VAL 51 CO -0.06 -0.18 0.31 0.00 0.00 0.00 0.00 175.10 175.17 2kac s ALA 52 N 3.18 1.52 -1.33 5.51 0.00 -0.77 -4.88 121.76 125.00 2kac s ALA 52 Ca 0.43 -1.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.41 2kac s ALA 52 Cb -0.15 1.39 0.00 0.00 0.00 0.00 0.00 23.12 24.36 2kac s ALA 52 CO 0.06 -0.69 0.52 -0.25 0.00 0.00 0.00 175.76 175.41 2kac n ASP 53 N -1.39 -1.80 -0.95 0.00 9.92 -1.26 -1.01 116.55 120.06 2kac n ASP 53 Ca 0.05 -1.03 -0.11 0.00 -0.53 0.00 0.00 54.79 53.16 2kac n ASP 53 Cb 0.62 -3.02 -0.05 0.00 -0.64 0.00 0.00 41.12 38.04 2kac n ASP 53 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2kac n GLU 54 N -4.39 -1.63 0.00 -1.24 1.02 -1.26 -0.95 120.64 112.19 2kac n GLU 54 Ca -0.24 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2kac n GLU 54 Cb 0.65 -5.16 0.00 0.00 -0.02 0.00 0.00 31.44 26.92 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 0.12 0.28 0.03 0.62 0.00 -0.18 -4.95 105.19 101.11 2kac n GLY 55 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 2kac n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kac n TYR 56 N -1.92 0.23 -3.91 1.61 4.01 -0.12 -4.68 117.16 112.38 2kac n TYR 56 Ca 0.00 0.07 -0.23 0.00 -0.16 0.00 0.00 57.90 57.58 2kac n TYR 56 Cb 0.00 -0.61 -0.17 0.00 -0.31 0.00 0.00 39.34 38.24 2kac n TYR 56 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2kac s THR 57 N -3.04 0.56 -0.30 -0.72 2.01 -1.08 -1.27 115.64 111.79 2kac s THR 57 Ca 0.12 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 2kac s THR 57 Cb 0.16 -0.65 0.04 0.00 0.01 0.00 0.00 72.50 72.05 2kac s THR 57 CO 0.49 0.28 0.03 -0.76 -0.69 0.00 0.00 174.62 173.97 2kac s LEU 58 N 1.64 3.93 -0.59 4.42 2.01 -0.55 -1.84 118.68 127.71 2kac s LEU 58 Ca 0.01 -1.11 -0.19 0.00 0.01 0.00 0.00 54.13 52.85 2kac s LEU 58 Cb -0.13 -1.78 0.09 0.00 0.01 0.00 0.00 46.19 44.39 2kac s LEU 58 CO -0.04 -0.25 0.72 0.20 1.01 0.00 0.00 176.35 177.98 2kac s ASN 59 N 1.34 6.19 -0.15 2.29 0.01 -0.72 -0.87 114.94 123.03 2kac s ASN 59 Ca -0.02 -1.30 -0.10 0.00 -0.71 0.00 0.00 52.86 50.73 2kac s ASN 59 Cb -0.19 -2.31 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 2kac s ASN 59 CO 0.00 -1.12 0.18 -0.63 -1.51 0.00 0.00 177.10 174.02 2kac s ILE 60 N 2.84 5.41 -0.26 0.60 1.01 -0.46 -1.27 121.20 129.06 2kac s ILE 60 Ca 0.13 0.29 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 2kac s ILE 60 Cb -0.23 -3.48 0.08 0.00 0.01 0.00 0.00 42.46 38.84 2kac s ILE 60 CO 0.08 0.52 0.04 -0.70 0.00 0.00 0.00 174.94 174.87 2kac s GLU 61 N -0.30 0.99 -0.24 2.79 -6.30 -0.18 -2.13 118.70 113.33 2kac s GLU 61 Ca 0.13 -0.93 -0.29 0.00 -2.50 0.00 0.00 54.97 51.38 2kac s GLU 61 Cb -0.12 -2.27 0.00 0.00 0.00 0.00 0.00 34.13 31.74 2kac s GLU 61 CO 0.02 -0.79 1.20 -0.06 0.02 0.00 0.00 175.26 175.65 2kac s PHE 62 N 1.57 2.95 0.34 5.30 0.40 -0.29 -1.00 117.98 127.25 2kac s PHE 62 Ca 0.03 1.09 0.13 0.00 -0.60 0.00 0.00 56.93 57.58 2kac s PHE 62 Cb -0.18 -3.61 1.10 0.00 0.51 0.00 0.00 43.02 40.85 2kac s PHE 62 CO -0.14 -1.30 1.60 0.00 0.70 0.00 0.00 175.22 176.08 2kac h ALA 63 N 8.34 1.82 0.00 5.36 0.00 -1.61 -3.08 119.26 130.09 2kac h ALA 63 Ca -0.24 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kac h ALA 63 Cb 1.09 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2kac h ALA 63 CO 1.00 -0.74 0.00 0.41 0.00 0.00 0.00 179.25 179.92