#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kf4 s ILE 4 N 0.00 0.00 0.00 2.52 2.07 -1.26 -4.97 121.20 119.56 2kf4 s ILE 4 Ca 0.00 0.00 0.12 0.00 -1.41 0.00 0.00 60.65 59.36 2kf4 s ILE 4 Cb 0.00 -1.00 0.20 0.00 0.13 0.00 0.00 42.46 41.79 2kf4 s ILE 4 CO 0.00 0.00 1.04 -0.46 -1.91 0.00 0.00 174.94 173.61 2kf4 n ASN 5 N 0.32 0.34 -4.82 4.50 6.94 -1.26 -4.88 115.26 116.41 2kf4 n ASN 5 Ca 0.00 -1.91 -0.27 0.00 -0.02 0.00 0.00 54.58 52.38 2kf4 n ASN 5 Cb 0.58 -0.16 -0.05 0.00 -2.36 0.00 0.00 39.78 37.78 2kf4 n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2kf4 s THR 6 N 0.00 4.63 0.05 5.53 -4.23 -1.26 0.37 115.64 120.73 2kf4 s THR 6 Ca 0.16 -0.95 -0.24 0.00 -1.18 0.00 0.00 61.69 59.49 2kf4 s THR 6 Cb 0.19 -3.34 -0.12 0.00 1.34 0.00 0.00 72.50 70.57 2kf4 s THR 6 CO -0.08 -0.05 1.36 2.19 -0.54 0.00 0.00 174.62 177.50 2kf4 h PHE 7 N 2.57 -0.87 -0.85 3.99 -0.00 -1.98 0.18 116.94 119.98 2kf4 h PHE 7 Ca -0.47 -0.00 0.04 0.00 -0.00 0.00 0.00 57.97 57.53 2kf4 h PHE 7 Cb 1.19 0.32 -0.05 0.00 -0.00 0.00 0.00 35.95 37.41 2kf4 h PHE 7 CO 0.58 -0.46 0.54 -0.44 -0.00 0.00 0.00 178.31 178.52 2kf4 h ASP 8 N -0.74 0.88 -0.59 -0.68 5.19 -1.98 -0.02 116.42 118.47 2kf4 h ASP 8 Ca -0.06 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.41 2kf4 h ASP 8 Cb 0.61 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.88 2kf4 h ASP 8 CO 0.03 0.59 0.30 1.23 -3.12 0.00 0.00 179.24 178.28 2kf4 h GLY 9 N 1.02 0.85 0.95 2.75 0.00 -1.92 0.54 103.07 107.26 2kf4 h GLY 9 Ca 0.35 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 2kf4 h GLY 9 CO -0.14 0.12 -0.03 -2.08 0.00 0.00 0.00 176.54 174.41 2kf4 h VAL 10 N 0.57 1.27 0.73 4.60 2.07 0.12 -0.85 116.25 124.76 2kf4 h VAL 10 Ca 0.27 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 2kf4 h VAL 10 Cb 0.19 1.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2kf4 h VAL 10 CO -0.19 0.36 -0.35 0.00 0.02 0.00 0.00 177.57 177.41 2kf4 h ALA 11 N 0.87 -0.98 -0.19 1.67 0.00 -0.17 0.53 119.26 120.98 2kf4 h ALA 11 Ca 0.11 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kf4 h ALA 11 Cb 0.52 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 2kf4 h ALA 11 CO 0.03 -1.03 -0.36 -0.44 0.00 0.00 0.00 179.25 177.45 2kf4 h ASP 12 N -1.02 -1.13 -0.21 0.00 5.19 0.05 2.90 116.42 122.19 2kf4 h ASP 12 Ca -0.10 0.17 0.06 0.00 -0.62 0.00 0.00 57.03 56.53 2kf4 h ASP 12 Cb 0.76 0.48 -0.06 0.00 0.18 0.00 0.00 39.33 40.69 2kf4 h ASP 12 CO 0.16 -0.37 -0.21 0.22 -3.12 0.00 0.00 179.24 175.92 2kf4 h TYR 13 N -0.39 -0.55 0.10 4.55 3.20 -1.02 0.89 116.97 123.74 2kf4 h TYR 13 Ca 0.11 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2kf4 h TYR 13 Cb 0.57 0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2kf4 h TYR 13 CO -0.46 -0.29 -0.05 1.25 -1.64 0.00 0.00 178.16 176.97 2kf4 h LEU 14 N -0.22 -0.11 -1.99 2.82 6.46 0.10 0.41 115.31 122.78 2kf4 h LEU 14 Ca 0.13 -0.44 0.19 0.00 -0.12 0.00 0.00 57.88 57.63 2kf4 h LEU 14 Cb 0.42 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 2kf4 h LEU 14 CO -0.34 0.43 0.50 1.56 -0.62 0.00 0.00 178.44 179.96 2kf4 h GLN 15 N -0.70 0.00 0.00 1.25 4.20 0.53 2.79 115.11 123.18 2kf4 h GLN 15 Ca -0.01 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 2kf4 h GLN 15 Cb 0.54 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2kf4 h GLN 15 CO 0.02 0.00 -1.20 2.41 -0.67 0.00 0.00 178.83 179.39 2kf4 n THR 16 N -4.17 1.51 -0.23 -0.54 -1.04 0.29 -4.39 114.28 105.71 2kf4 n THR 16 Ca 0.12 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.23 2kf4 n THR 16 Cb 0.75 -2.11 0.31 0.00 -1.82 0.00 0.00 70.33 67.45 2kf4 n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2kf4 n TYR 17 N -4.46 1.11 -1.80 -1.42 4.01 0.14 -4.92 117.16 109.83 2kf4 n TYR 17 Ca -0.28 -0.49 -0.04 0.00 -0.16 0.00 0.00 57.90 56.94 2kf4 n TYR 17 Cb 0.60 -0.11 -0.01 0.00 -0.31 0.00 0.00 39.34 39.51 2kf4 n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2kf4 n HIS 18 N 1.22 -1.34 -4.15 -0.72 8.25 0.93 -4.85 115.22 114.57 2kf4 n HIS 18 Ca 0.23 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.59 2kf4 n HIS 18 Cb 0.68 -1.46 -0.10 0.00 1.12 0.00 0.00 29.99 30.23 2kf4 n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2kf4 s LYS 19 N -3.66 0.79 0.35 -0.41 -2.85 -1.24 -4.99 119.74 107.73 2kf4 s LYS 19 Ca 0.00 -1.32 -0.24 0.00 -1.00 0.00 0.00 55.97 53.40 2kf4 s LYS 19 Cb 0.00 -0.07 -0.10 0.00 -2.06 0.00 0.00 37.83 35.60 2kf4 s LYS 19 CO 0.00 -0.06 0.94 -0.51 0.10 0.00 0.00 175.35 175.82 2kf4 s LEU 20 N -3.02 4.22 0.81 2.77 1.02 -1.26 -3.37 118.68 119.85 2kf4 s LEU 20 Ca 0.12 1.79 -0.17 0.00 0.02 0.00 0.00 54.13 55.88 2kf4 s LEU 20 Cb 0.06 -4.17 -0.13 0.00 0.02 0.00 0.00 46.19 41.97 2kf4 s LEU 20 CO -0.05 -0.15 -0.43 -2.65 0.02 0.00 0.00 176.35 173.08 2kf4 n PRO 21 N 0.20 0.01 -0.36 1.29 -0.02 -1.26 -4.63 135.00 130.22 2kf4 n PRO 21 Ca 0.03 0.01 -0.04 0.00 -2.02 0.00 0.00 63.50 61.48 2kf4 n PRO 21 Cb 0.51 -1.09 -0.06 0.00 -0.02 0.00 0.00 33.50 32.84 2kf4 n PRO 21 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kf4 n ASP 22 N 2.70 1.93 -0.50 2.55 5.75 -1.26 -2.34 116.55 125.37 2kf4 n ASP 22 Ca 0.03 -1.85 -0.02 0.00 -0.01 0.00 0.00 54.79 52.94 2kf4 n ASP 22 Cb 0.52 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 2kf4 n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2kf4 n ASN 23 N 2.79 -0.23 -4.06 -1.12 6.94 -1.26 -4.65 115.26 113.66 2kf4 n ASN 23 Ca 0.15 -0.58 -0.32 0.00 -0.02 0.00 0.00 54.58 53.81 2kf4 n ASN 23 Cb 0.33 0.07 -0.15 0.00 -2.36 0.00 0.00 39.78 37.67 2kf4 n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2kf4 s TYR 24 N 0.00 3.30 -0.07 -2.53 2.02 -0.99 -0.67 117.35 118.40 2kf4 s TYR 24 Ca 0.00 -2.38 0.05 0.00 -0.37 0.00 0.00 57.07 54.37 2kf4 s TYR 24 Cb 0.00 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 2kf4 s TYR 24 CO 0.00 -0.88 -0.23 0.96 -1.57 0.00 0.00 175.55 173.83 2kf4 s ILE 25 N 1.09 2.22 1.03 2.71 -4.36 0.25 -4.74 121.20 119.41 2kf4 s ILE 25 Ca -0.07 -1.00 -0.14 0.00 -0.26 0.00 0.00 60.65 59.18 2kf4 s ILE 25 Cb -0.20 -1.83 0.21 0.00 1.25 0.00 0.00 42.46 41.89 2kf4 s ILE 25 CO -0.05 0.57 1.12 0.42 0.24 0.00 0.00 174.94 177.24 2kf4 s THR 26 N -0.06 1.89 0.26 8.37 -4.23 0.82 -0.40 115.64 122.29 2kf4 s THR 26 Ca -0.06 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.40 2kf4 s THR 26 Cb -0.15 -2.59 0.24 0.00 1.34 0.00 0.00 72.50 71.35 2kf4 s THR 26 CO 0.05 0.00 1.91 0.11 -0.54 0.00 0.00 174.62 176.15 2kf4 h LYS 27 N -1.98 1.21 0.00 3.99 1.57 -1.93 -0.69 116.57 118.74 2kf4 h LYS 27 Ca -0.51 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2kf4 h LYS 27 Cb 1.32 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2kf4 h LYS 27 CO 0.51 0.84 0.00 0.43 -0.57 0.00 0.00 179.45 180.66 2kf4 n SER 28 N -4.37 0.00 0.27 0.86 7.64 -1.26 0.14 113.62 116.91 2kf4 n SER 28 Ca 0.10 0.48 -0.14 0.00 1.01 0.00 0.00 58.87 60.32 2kf4 n SER 28 Cb 0.05 -0.17 -0.07 0.00 -1.01 0.00 0.00 64.21 63.00 2kf4 n SER 28 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kf4 h GLU 29 N 0.00 -0.69 -0.51 1.43 3.07 -1.89 -2.93 114.58 113.05 2kf4 h GLU 29 Ca 0.00 0.05 0.07 0.00 -0.50 0.00 0.00 59.36 58.98 2kf4 h GLU 29 Cb 0.00 0.16 -0.08 0.00 -0.84 0.00 0.00 28.75 27.99 2kf4 h GLU 29 CO 0.00 -0.39 -0.21 0.00 -1.40 0.00 0.00 179.01 177.01 2kf4 n ALA 30 N -2.59 -0.10 0.12 3.43 0.00 -0.28 0.39 120.51 121.47 2kf4 n ALA 30 Ca -0.11 0.50 -0.06 0.00 0.00 0.00 0.00 53.44 53.77 2kf4 n ALA 30 Cb 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 2kf4 n ALA 30 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kf4 h GLN 31 N 0.00 -0.35 -0.63 0.00 4.20 0.14 -2.09 115.11 116.37 2kf4 h GLN 31 Ca 0.16 0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.04 2kf4 h GLN 31 Cb 0.29 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2kf4 h GLN 31 CO -0.50 -0.23 0.44 0.00 -0.67 0.00 0.00 178.83 177.86 2kf4 h ALA 32 N -1.54 2.28 0.00 3.87 0.00 -1.14 0.28 119.26 123.01 2kf4 h ALA 32 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kf4 h ALA 32 Cb 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kf4 h ALA 32 CO 0.00 -0.46 -0.04 1.25 0.00 0.00 0.00 179.25 180.01 2kf4 h LEU 33 N 0.22 0.00 0.00 0.00 5.85 0.30 -3.45 115.31 118.24 2kf4 h LEU 33 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2kf4 h LEU 33 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2kf4 h LEU 33 CO -0.06 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.69 2kf4 n GLY 34 N -0.83 0.85 3.77 3.75 0.00 0.95 -5.06 105.19 108.62 2kf4 n GLY 34 Ca -0.02 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 2kf4 n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kf4 s TRP 35 N -0.20 3.87 -0.04 1.61 -0.00 -0.83 -4.93 118.94 118.41 2kf4 s TRP 35 Ca 0.00 1.57 0.01 0.00 -0.00 0.00 0.00 56.10 57.68 2kf4 s TRP 35 Cb 0.00 -2.75 0.02 0.00 -0.00 0.00 0.00 33.47 30.74 2kf4 s TRP 35 CO 0.00 0.48 -0.04 0.08 -0.00 0.00 0.00 176.95 177.47 2kf4 s VAL 36 N -0.94 0.49 0.11 5.86 1.01 -1.26 -4.89 120.40 120.78 2kf4 s VAL 36 Ca 0.36 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 2kf4 s VAL 36 Cb -0.22 -0.52 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 2kf4 s VAL 36 CO 0.25 0.21 1.72 0.00 0.00 0.00 0.00 175.10 177.28 2kf4 h ALA 37 N 7.15 0.01 0.00 5.51 0.00 -1.99 0.66 119.26 130.60 2kf4 h ALA 37 Ca -0.39 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2kf4 h ALA 37 Cb 1.15 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2kf4 h ALA 37 CO 0.48 -0.52 0.02 -1.13 0.00 0.00 0.00 179.25 178.10 2kf4 n SER 38 N -5.16 2.74 0.00 0.00 3.41 -1.26 -3.12 113.62 110.23 2kf4 n SER 38 Ca -0.05 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 2kf4 n SER 38 Cb 0.09 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2kf4 n SER 38 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2kf4 n LYS 39 N 2.29 0.00 -3.03 4.33 4.81 -1.03 -5.05 118.16 120.47 2kf4 n LYS 39 Ca 0.12 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 2kf4 n LYS 39 Cb 0.38 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.49 2kf4 n LYS 39 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kf4 n GLY 40 N -1.04 -0.91 3.84 3.14 0.00 0.23 -4.97 105.19 105.47 2kf4 n GLY 40 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 2kf4 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kf4 s ASN 41 N -3.34 5.45 0.02 1.61 4.22 -1.26 -4.53 114.94 117.11 2kf4 s ASN 41 Ca 0.40 1.47 0.00 0.00 -2.14 0.00 0.00 52.86 52.60 2kf4 s ASN 41 Cb -0.05 -2.36 0.00 0.00 1.28 0.00 0.00 41.25 40.11 2kf4 s ASN 41 CO 0.65 -1.38 0.00 -0.11 -2.04 0.00 0.00 177.10 174.22 2kf4 n LEU 42 N -3.07 -0.21 0.32 3.54 7.94 -1.26 -4.93 117.00 119.33 2kf4 n LEU 42 Ca 0.07 0.10 0.21 0.00 -1.11 0.00 0.00 56.01 55.28 2kf4 n LEU 42 Cb 0.54 0.38 1.09 0.00 0.53 0.00 0.00 43.42 45.96 2kf4 n LEU 42 CO 0.57 -0.12 1.14 0.00 -1.11 0.00 0.00 177.39 177.87 2kf4 h ALA 43 N 0.00 1.04 0.17 1.96 0.00 -1.81 1.46 119.26 122.07 2kf4 h ALA 43 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kf4 h ALA 43 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kf4 h ALA 43 CO 0.00 0.01 -0.08 0.38 0.00 0.00 0.00 179.25 179.56 2kf4 h ASP 44 N 0.00 -0.19 1.26 0.00 2.03 -1.95 -1.96 116.42 115.62 2kf4 h ASP 44 Ca -0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 2kf4 h ASP 44 Cb 0.12 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 2kf4 h ASP 44 CO 0.00 0.19 -0.01 1.33 -1.03 0.00 0.00 179.24 179.72 2kf4 n VAL 45 N -4.40 0.33 -3.08 4.15 0.24 -1.12 -4.25 118.33 110.19 2kf4 n VAL 45 Ca -0.03 -0.16 -0.19 0.00 -2.04 0.00 0.00 64.34 61.92 2kf4 n VAL 45 Cb 0.09 -0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 31.88 2kf4 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kf4 n ALA 46 N -1.66 1.28 -1.63 2.33 0.00 0.50 -5.04 120.51 116.29 2kf4 n ALA 46 Ca 0.06 -2.73 -0.47 0.00 0.00 0.00 0.00 53.44 50.30 2kf4 n ALA 46 Cb 0.39 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 2kf4 n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kf4 n PRO 47 N 1.74 2.11 -2.60 0.00 -0.02 -0.74 -1.83 135.00 133.65 2kf4 n PRO 47 Ca 0.19 0.72 -0.07 0.00 -2.02 0.00 0.00 63.50 62.32 2kf4 n PRO 47 Cb 0.55 -2.80 0.02 0.00 -0.02 0.00 0.00 33.50 31.25 2kf4 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kf4 n GLY 48 N 4.99 0.37 3.25 -1.23 0.00 -1.26 -5.03 105.19 106.27 2kf4 n GLY 48 Ca 0.26 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 2kf4 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kf4 s LYS 49 N -5.04 1.11 0.12 1.61 -0.14 -0.76 -4.83 119.74 111.80 2kf4 s LYS 49 Ca 0.12 -1.52 0.00 0.00 -1.36 0.00 0.00 55.97 53.21 2kf4 s LYS 49 Cb -0.05 -0.39 -0.04 0.00 -1.68 0.00 0.00 37.83 35.66 2kf4 s LYS 49 CO 0.15 -0.07 0.01 -1.12 -0.76 0.00 0.00 175.35 173.56 2kf4 s SER 50 N -3.18 0.67 -0.16 2.83 0.01 0.15 -4.77 113.70 109.25 2kf4 s SER 50 Ca 0.22 -1.14 -0.29 0.00 1.31 0.00 0.00 55.95 56.06 2kf4 s SER 50 Cb 0.05 0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.49 2kf4 s SER 50 CO 0.03 -0.63 0.99 -0.63 0.41 0.00 0.00 173.24 173.40 2kf4 s ILE 51 N -3.88 4.77 0.00 1.44 -1.09 -1.25 -0.58 121.20 120.60 2kf4 s ILE 51 Ca 0.19 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.58 2kf4 s ILE 51 Cb 0.07 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 2kf4 s ILE 51 CO -0.01 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 2kf4 n GLY 52 N 3.24 1.16 0.00 6.18 0.00 0.46 0.13 105.19 116.36 2kf4 n GLY 52 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2kf4 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kf4 n GLY 53 N -0.15 1.42 0.00 -0.02 0.00 -0.68 -0.13 105.19 105.62 2kf4 n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kf4 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kf4 n ASP 54 N 0.00 0.00 -4.07 1.61 9.92 -1.26 -4.86 116.55 117.89 2kf4 n ASP 54 Ca 0.00 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.08 2kf4 n ASP 54 Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 2kf4 n ASP 54 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2kf4 s ILE 55 N 0.00 0.82 -0.62 0.53 1.09 -1.26 -4.06 121.20 117.70 2kf4 s ILE 55 Ca 0.00 -0.74 -0.03 0.00 -1.10 0.00 0.00 60.65 58.79 2kf4 s ILE 55 Cb 0.00 -0.74 0.16 0.00 -1.06 0.00 0.00 42.46 40.81 2kf4 s ILE 55 CO 0.00 0.02 0.43 0.12 -0.10 0.00 0.00 174.94 175.40 2kf4 s PHE 56 N -0.66 3.41 0.00 3.97 2.19 0.68 -4.71 117.98 122.86 2kf4 s PHE 56 Ca 0.00 -2.72 0.00 0.00 0.33 0.00 0.00 56.93 54.54 2kf4 s PHE 56 Cb -0.06 -3.19 0.00 0.00 -1.31 0.00 0.00 43.02 38.46 2kf4 s PHE 56 CO 0.00 -0.84 0.00 -1.13 1.83 0.00 0.00 175.22 175.08 2kf4 n SER 57 N 3.51 0.00 -3.36 6.13 3.41 -1.26 -4.31 113.62 117.74 2kf4 n SER 57 Ca 0.07 -0.82 -0.25 0.00 -0.26 0.00 0.00 58.87 57.61 2kf4 n SER 57 Cb 0.38 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 2kf4 n SER 57 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kf4 n ASN 58 N 1.82 -1.22 -1.60 4.04 5.15 -1.26 -4.65 115.26 117.54 2kf4 n ASN 58 Ca 0.00 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.34 2kf4 n ASN 58 Cb 0.00 -1.08 0.00 0.00 -0.53 0.00 0.00 39.78 38.17 2kf4 n ASN 58 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kf4 n ARG 59 N -2.85 0.51 0.00 1.20 1.74 -1.26 -2.08 116.66 113.92 2kf4 n ARG 59 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2kf4 n ARG 59 Cb 0.34 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2kf4 n ARG 59 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kf4 n GLU 60 N 1.55 0.00 -3.29 5.56 1.02 -1.26 -5.01 120.64 119.21 2kf4 n GLU 60 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 2kf4 n GLU 60 Cb 0.26 -0.12 0.03 0.00 -0.02 0.00 0.00 31.44 31.59 2kf4 n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kf4 n GLY 61 N 0.00 -0.52 0.04 0.62 0.00 -0.88 -4.85 105.19 99.60 2kf4 n GLY 61 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2kf4 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kf4 n LYS 62 N -4.19 2.19 -4.01 1.61 5.02 -1.26 -5.02 118.16 112.49 2kf4 n LYS 62 Ca -0.05 -1.82 -0.13 0.00 -2.02 0.00 0.00 58.31 54.29 2kf4 n LYS 62 Cb 0.58 -1.14 -0.13 0.00 -0.02 0.00 0.00 35.03 34.32 2kf4 n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kf4 s LEU 63 N -1.58 2.08 0.09 -0.35 1.43 -1.26 -4.99 118.68 114.10 2kf4 s LEU 63 Ca 0.11 -0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 52.71 2kf4 s LEU 63 Cb 0.10 -0.10 -0.09 0.00 0.03 0.00 0.00 46.19 46.13 2kf4 s LEU 63 CO 0.01 -0.06 1.81 -2.16 0.23 0.00 0.00 176.35 176.18 2kf4 s PRO 64 N -0.53 4.15 0.43 1.29 0.04 -1.26 -5.01 135.00 134.11 2kf4 s PRO 64 Ca -0.04 2.53 0.06 0.00 0.04 0.00 0.00 61.00 63.59 2kf4 s PRO 64 Cb -0.04 -3.73 0.06 0.00 0.04 0.00 0.00 34.50 30.83 2kf4 s PRO 64 CO -0.00 -0.84 0.51 0.41 0.04 0.00 0.00 177.00 177.11 2kf4 n GLY 65 N 4.24 2.22 3.64 0.56 0.00 -1.26 -5.02 105.19 109.58 2kf4 n GLY 65 Ca 0.18 -2.22 -0.02 0.00 0.00 0.00 0.00 46.02 43.95 2kf4 n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kf4 s LYS 66 N -3.87 0.06 -0.74 1.61 2.20 -1.26 -5.01 119.74 112.72 2kf4 s LYS 66 Ca 0.39 -0.00 -0.06 0.00 -0.36 0.00 0.00 55.97 55.94 2kf4 s LYS 66 Cb -0.03 0.03 -0.10 0.00 -1.51 0.00 0.00 37.83 36.22 2kf4 s LYS 66 CO 0.25 -0.02 2.42 -1.13 -0.36 0.00 0.00 175.35 176.50 2kf4 n SER 67 N 0.31 5.14 0.00 1.43 3.41 -1.26 -4.02 113.62 118.63 2kf4 n SER 67 Ca 0.02 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 2kf4 n SER 67 Cb 0.58 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2kf4 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kf4 n GLY 68 N 3.37 -0.48 3.90 5.00 0.00 -1.26 -5.19 105.19 110.53 2kf4 n GLY 68 Ca 0.45 0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.78 2kf4 n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kf4 s ARG 69 N 0.00 0.43 0.06 1.61 3.52 -1.26 -5.03 118.95 118.28 2kf4 s ARG 69 Ca 0.00 -0.27 -0.20 0.00 -0.13 0.00 0.00 55.73 55.13 2kf4 s ARG 69 Cb 0.00 0.12 0.05 0.00 -1.56 0.00 0.00 34.95 33.56 2kf4 s ARG 69 CO 0.00 -0.20 0.48 0.99 -0.81 0.00 0.00 175.30 175.76 2kf4 s THR 70 N -2.11 0.04 -0.01 4.11 2.01 -1.26 -4.97 115.64 113.45 2kf4 s THR 70 Ca 0.26 -0.34 0.06 0.00 0.31 0.00 0.00 61.69 61.98 2kf4 s THR 70 Cb 0.01 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2kf4 s THR 70 CO -0.01 -0.19 -0.20 0.26 -0.69 0.00 0.00 174.62 173.80 2kf4 s TRP 71 N -2.72 1.75 0.07 4.92 0.52 -1.26 0.17 118.94 122.39 2kf4 s TRP 71 Ca -0.04 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.79 2kf4 s TRP 71 Cb -0.00 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.17 2kf4 s TRP 71 CO -0.04 -0.02 -0.13 1.03 0.02 0.00 0.00 176.95 177.82 2kf4 s ARG 72 N -0.55 0.77 0.39 4.98 0.52 -0.61 0.25 118.95 124.70 2kf4 s ARG 72 Ca 0.07 -0.94 0.08 0.00 -0.52 0.00 0.00 55.73 54.42 2kf4 s ARG 72 Cb -0.08 -0.70 -0.06 0.00 0.52 0.00 0.00 34.95 34.64 2kf4 s ARG 72 CO -0.00 0.15 0.10 -1.83 0.02 0.00 0.00 175.30 173.74 2kf4 s GLU 73 N -1.81 2.14 -0.28 3.54 -1.05 -1.26 -1.49 118.70 118.49 2kf4 s GLU 73 Ca -0.03 -1.87 -0.25 0.00 -0.15 0.00 0.00 54.97 52.68 2kf4 s GLU 73 Cb -0.09 -1.90 0.10 0.00 -0.44 0.00 0.00 34.13 31.79 2kf4 s GLU 73 CO 0.02 -0.04 0.89 0.00 0.95 0.00 0.00 175.26 177.08 2kf4 s ALA 74 N -2.60 -1.90 0.73 -0.84 0.00 -0.63 -1.69 121.76 114.83 2kf4 s ALA 74 Ca 0.38 1.96 -0.15 0.00 0.00 0.00 0.00 51.96 54.15 2kf4 s ALA 74 Cb 0.04 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.86 2kf4 s ALA 74 CO 0.21 -0.29 1.23 -0.51 0.00 0.00 0.00 175.76 176.40 2kf4 s ASP 75 N 0.35 4.16 0.03 0.00 1.11 0.35 -1.16 116.67 121.51 2kf4 s ASP 75 Ca 0.01 2.43 0.02 0.00 0.18 0.00 0.00 52.55 55.20 2kf4 s ASP 75 Cb -0.05 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 2kf4 s ASP 75 CO -0.04 -2.29 -0.07 -0.63 1.18 0.00 0.00 175.17 173.32 2kf4 s ILE 76 N -1.86 0.52 -0.71 0.77 -1.09 -0.55 -4.68 121.20 113.59 2kf4 s ILE 76 Ca 0.76 -0.80 -0.03 0.00 -2.23 0.00 0.00 60.65 58.35 2kf4 s ILE 76 Cb -0.31 -0.54 0.00 0.00 -1.58 0.00 0.00 42.46 40.03 2kf4 s ILE 76 CO 0.45 -0.21 0.67 0.59 -1.23 0.00 0.00 174.94 175.21 2kf4 n ASN 77 N 1.96 -7.15 -4.21 3.58 3.02 0.16 -4.62 115.26 107.99 2kf4 n ASN 77 Ca -0.19 -0.18 -0.15 0.00 -0.03 0.00 0.00 54.58 54.02 2kf4 n ASN 77 Cb 0.56 -4.47 -0.11 0.00 -0.61 0.00 0.00 39.78 35.15 2kf4 n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2kf4 s TYR 78 N -2.90 1.19 0.00 3.10 5.04 -1.26 -4.94 117.35 117.57 2kf4 s TYR 78 Ca 0.04 -0.67 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 2kf4 s TYR 78 Cb -0.01 -0.63 0.00 0.00 0.35 0.00 0.00 41.96 41.67 2kf4 s TYR 78 CO 0.79 0.05 0.00 0.25 -1.34 0.00 0.00 175.55 175.30 2kf4 n THR 79 N 0.33 0.00 -3.30 4.34 -2.24 -1.26 -4.94 114.28 107.21 2kf4 n THR 79 Ca -0.14 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.57 2kf4 n THR 79 Cb 0.58 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 2kf4 n THR 79 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kf4 s SER 80 N -2.52 0.02 0.00 3.42 0.15 -1.26 -4.34 113.70 109.17 2kf4 s SER 80 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2kf4 s SER 80 Cb 0.00 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 2kf4 s SER 80 CO 0.00 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2kf4 n GLY 81 N 5.37 -1.24 0.00 9.45 0.00 -1.26 -4.97 105.19 112.54 2kf4 n GLY 81 Ca -0.01 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2kf4 n GLY 81 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kf4 n PHE 82 N 0.00 -0.16 0.00 1.61 7.35 -1.26 -4.31 117.46 120.68 2kf4 n PHE 82 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2kf4 n PHE 82 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2kf4 n PHE 82 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2kf4 n ARG 83 N 0.00 1.55 0.00 -4.13 1.74 -1.26 -4.87 116.66 109.69 2kf4 n ARG 83 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2kf4 n ARG 83 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2kf4 n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2kf4 n ASN 84 N 0.00 0.00 -0.09 0.55 0.23 -1.26 -5.02 115.26 109.67 2kf4 n ASN 84 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.14 2kf4 n ASN 84 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 2kf4 n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2kf4 n SER 85 N 0.00 1.06 -4.59 0.53 3.41 -1.26 -4.75 113.62 108.02 2kf4 n SER 85 Ca 0.00 -1.03 -0.43 0.00 -0.26 0.00 0.00 58.87 57.15 2kf4 n SER 85 Cb 0.00 0.89 -0.04 0.00 -0.26 0.00 0.00 64.21 64.80 2kf4 n SER 85 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kf4 s ASP 86 N -2.60 6.58 0.03 4.04 2.15 -1.26 -1.32 116.67 124.29 2kf4 s ASP 86 Ca 0.09 0.37 0.01 0.00 0.43 0.00 0.00 52.55 53.45 2kf4 s ASP 86 Cb 0.14 -2.43 -0.02 0.00 -0.30 0.00 0.00 42.92 40.31 2kf4 s ASP 86 CO 0.69 -0.85 -0.05 -0.13 -0.17 0.00 0.00 175.17 174.66 2kf4 s ARG 87 N 3.38 0.41 -0.05 4.34 1.81 -1.09 -1.49 118.95 126.26 2kf4 s ARG 87 Ca 0.35 -0.66 0.05 0.00 -1.72 0.00 0.00 55.73 53.75 2kf4 s ARG 87 Cb -0.12 -0.09 -0.02 0.00 -0.45 0.00 0.00 34.95 34.27 2kf4 s ARG 87 CO 0.20 -0.00 -0.19 -1.50 -0.68 0.00 0.00 175.30 173.13 2kf4 s ILE 88 N -1.38 2.64 -0.14 1.52 2.07 -0.31 -0.74 121.20 124.87 2kf4 s ILE 88 Ca -0.13 -0.87 0.01 0.00 -1.41 0.00 0.00 60.65 58.25 2kf4 s ILE 88 Cb -0.10 -2.00 0.00 0.00 0.13 0.00 0.00 42.46 40.49 2kf4 s ILE 88 CO -0.00 0.58 -0.18 -0.76 -1.91 0.00 0.00 174.94 172.66 2kf4 s LEU 89 N -0.56 2.33 -0.11 8.50 2.01 0.41 -1.60 118.68 129.66 2kf4 s LEU 89 Ca 0.08 -0.51 0.04 0.00 0.01 0.00 0.00 54.13 53.74 2kf4 s LEU 89 Cb -0.11 -1.51 0.00 0.00 0.01 0.00 0.00 46.19 44.58 2kf4 s LEU 89 CO 0.01 0.10 -0.23 -0.72 1.01 0.00 0.00 176.35 176.51 2kf4 s TYR 90 N 0.72 2.58 0.34 0.29 1.13 -0.56 0.15 117.35 122.01 2kf4 s TYR 90 Ca -0.08 -1.08 -0.02 0.00 -1.41 0.00 0.00 57.07 54.49 2kf4 s TYR 90 Cb -0.16 -1.73 -0.04 0.00 -1.10 0.00 0.00 41.96 38.93 2kf4 s TYR 90 CO 0.01 -0.44 0.57 -1.54 -2.51 0.00 0.00 175.55 171.64 2kf4 s SER 91 N 0.41 6.33 0.40 -0.18 1.04 0.53 -1.57 113.70 120.66 2kf4 s SER 91 Ca -0.17 0.57 0.29 0.00 0.48 0.00 0.00 55.95 57.12 2kf4 s SER 91 Cb -0.18 -2.08 1.22 0.00 0.10 0.00 0.00 66.02 65.08 2kf4 s SER 91 CO 0.07 -0.29 1.85 0.77 0.98 0.00 0.00 173.24 176.63 2kf4 h SER 92 N 1.00 0.00 -0.23 7.02 4.64 -0.61 -1.38 113.55 123.99 2kf4 h SER 92 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2kf4 h SER 92 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2kf4 h SER 92 CO 0.63 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.06 2kf4 n ASP 93 N -2.63 1.31 -0.18 4.97 9.92 -1.26 -4.86 116.55 123.82 2kf4 n ASP 93 Ca 0.01 -1.93 -0.02 0.00 -0.53 0.00 0.00 54.79 52.32 2kf4 n ASP 93 Cb 0.24 -0.15 -0.00 0.00 -0.64 0.00 0.00 41.12 40.57 2kf4 n ASP 93 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2kf4 n TRP 94 N 0.19 -0.06 -3.64 1.24 -0.00 -0.52 -5.04 117.44 109.62 2kf4 n TRP 94 Ca 0.10 0.00 -0.37 0.00 -0.00 0.00 0.00 57.50 57.22 2kf4 n TRP 94 Cb 0.22 -1.09 -0.06 0.00 -0.00 0.00 0.00 31.31 30.37 2kf4 n TRP 94 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2kf4 s LEU 95 N -0.48 4.39 -0.21 5.87 1.43 -1.24 -4.89 118.68 123.55 2kf4 s LEU 95 Ca 0.00 0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 2kf4 s LEU 95 Cb 0.00 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2kf4 s LEU 95 CO 0.00 0.30 -0.05 -0.63 0.23 0.00 0.00 176.35 176.20 2kf4 s ILE 96 N -0.70 3.37 0.04 -0.59 -1.09 -1.26 -0.35 121.20 120.62 2kf4 s ILE 96 Ca 0.19 -0.50 0.08 0.00 -2.23 0.00 0.00 60.65 58.19 2kf4 s ILE 96 Cb -0.14 -2.52 -0.03 0.00 -1.58 0.00 0.00 42.46 38.19 2kf4 s ILE 96 CO 0.08 0.43 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.69 2kf4 s TYR 97 N 1.34 2.00 0.02 3.97 1.51 0.39 -2.30 117.35 124.29 2kf4 s TYR 97 Ca 0.04 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 2kf4 s TYR 97 Cb -0.14 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 2kf4 s TYR 97 CO -0.02 0.11 -0.09 0.21 -1.11 0.00 0.00 175.55 174.64 2kf4 s LYS 98 N -1.20 0.65 0.32 -0.62 2.47 0.59 0.16 119.74 122.11 2kf4 s LYS 98 Ca 0.09 -0.57 0.06 0.00 -1.56 0.00 0.00 55.97 53.99 2kf4 s LYS 98 Cb -0.09 -0.57 -0.06 0.00 -1.46 0.00 0.00 37.83 35.64 2kf4 s LYS 98 CO 0.02 0.14 -0.01 -0.08 0.16 0.00 0.00 175.35 175.58 2kf4 s THR 99 N -0.78 1.59 0.00 3.43 -1.32 0.08 0.03 115.64 118.67 2kf4 s THR 99 Ca -0.02 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.39 2kf4 s THR 99 Cb -0.07 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 2kf4 s THR 99 CO 0.00 -0.15 0.00 0.35 -2.21 0.00 0.00 174.62 172.62 2kf4 n THR 100 N -0.69 0.00 -0.51 5.08 -2.24 -1.23 -2.69 114.28 112.00 2kf4 n THR 100 Ca -0.04 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 2kf4 n THR 100 Cb 0.65 1.06 0.25 0.00 -2.10 0.00 0.00 70.33 70.19 2kf4 n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2kf4 n ASP 101 N 0.00 3.75 -1.20 3.42 5.68 -1.18 -4.16 116.55 122.87 2kf4 n ASP 101 Ca 0.00 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 2kf4 n ASP 101 Cb 0.02 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 2kf4 n ASP 101 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kf4 n ALA 102 N 0.52 -0.62 0.00 2.12 0.00 -0.43 -4.03 120.51 118.07 2kf4 n ALA 102 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2kf4 n ALA 102 Cb 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2kf4 n ALA 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kf4 n TYR 103 N -1.09 0.00 0.00 0.00 4.01 -1.26 -4.84 117.16 113.99 2kf4 n TYR 103 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kf4 n TYR 103 Cb 0.40 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2kf4 n TYR 103 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2kf4 n GLN 104 N -1.23 0.00 -3.82 -0.72 6.02 -1.26 -4.62 117.38 111.76 2kf4 n GLN 104 Ca 0.00 0.68 -0.21 0.00 -0.01 0.00 0.00 57.00 57.46 2kf4 n GLN 104 Cb 0.00 -1.29 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 2kf4 n GLN 104 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2kf4 s THR 105 N -2.16 3.79 -0.00 5.09 -4.23 -1.26 -5.07 115.64 111.80 2kf4 s THR 105 Ca 0.00 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 2kf4 s THR 105 Cb 0.00 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2kf4 s THR 105 CO 0.00 -0.20 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.50 2kf4 s PHE 106 N -2.25 0.21 -0.03 3.99 0.08 -1.26 -4.40 117.98 114.31 2kf4 s PHE 106 Ca 0.40 -0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.47 2kf4 s PHE 106 Cb -0.07 -0.15 -0.01 0.00 -0.57 0.00 0.00 43.02 42.22 2kf4 s PHE 106 CO 0.27 -0.01 -0.19 0.99 -0.10 0.00 0.00 175.22 176.18 2kf4 s THR 107 N 0.05 1.51 0.29 0.64 2.01 0.10 -4.97 115.64 115.28 2kf4 s THR 107 Ca -0.00 -0.78 -0.21 0.00 0.31 0.00 0.00 61.69 61.01 2kf4 s THR 107 Cb -0.02 -1.28 -0.09 0.00 0.01 0.00 0.00 72.50 71.12 2kf4 s THR 107 CO -0.00 0.43 0.81 -0.75 -0.69 0.00 0.00 174.62 174.42 2kf4 s LYS 108 N -0.18 4.29 0.00 4.92 2.20 -1.26 -0.30 119.74 129.41 2kf4 s LYS 108 Ca 0.01 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 2kf4 s LYS 108 Cb -0.10 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 2kf4 s LYS 108 CO 0.01 0.27 0.00 0.44 -0.36 0.00 0.00 175.35 175.71 2kf4 n ILE 109 N 0.30 0.00 -1.17 5.43 -5.35 -0.97 -4.88 119.36 112.72 2kf4 n ILE 109 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 2kf4 n ILE 109 Cb 0.52 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 2kf4 n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33