#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1klc n LEU 2 N 0.00 6.47 0.00 0.00 4.77 -1.26 -4.57 117.00 122.42 1klc n LEU 2 Ca 0.00 -5.31 -0.00 0.00 -0.03 0.00 0.00 56.01 50.67 1klc n LEU 2 Cb 0.00 -1.17 -0.00 0.00 -2.33 0.00 0.00 43.42 39.92 1klc n LEU 2 CO 0.00 1.86 -0.00 -0.90 -1.33 0.00 0.00 177.39 177.01 1klc n ASP 3 N 0.79 2.00 -0.13 -1.43 5.75 -1.26 -1.13 116.55 121.14 1klc n ASP 3 Ca 0.33 -1.02 0.03 0.00 -0.01 0.00 0.00 54.79 54.12 1klc n ASP 3 Cb 0.32 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.56 1klc n ASP 3 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1klc n THR 4 N -0.01 0.08 -0.13 2.12 -2.24 -1.26 -2.69 114.28 110.15 1klc n THR 4 Ca -0.00 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1klc n THR 4 Cb 0.01 -0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1klc n THR 4 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1klc n ASN 5 N -0.36 1.98 0.14 3.42 2.85 -1.26 -3.58 115.26 118.46 1klc n ASN 5 Ca 0.05 0.05 0.09 0.00 -0.11 0.00 0.00 54.58 54.67 1klc n ASN 5 Cb 0.07 -0.56 0.06 0.00 1.24 0.00 0.00 39.78 40.59 1klc n ASN 5 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1klc h TYR 6 N -0.39 0.00 0.00 1.20 3.20 -1.80 -3.29 116.97 115.88 1klc h TYR 6 Ca -0.62 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.21 1klc h TYR 6 Cb 1.78 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 1klc h TYR 6 CO -0.02 0.12 -1.07 0.00 -1.64 0.00 0.00 178.16 175.55 1klc n PHE 8 N -2.73 1.54 0.00 0.00 3.01 -1.23 -4.58 117.46 113.47 1klc n PHE 8 Ca -0.02 -1.22 0.00 0.00 1.01 0.00 0.00 57.45 57.22 1klc n PHE 8 Cb 0.61 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1klc n PHE 8 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1klc n SER 9 N -0.29 0.00 -2.52 4.37 7.64 -1.25 -5.00 113.62 116.56 1klc n SER 9 Ca 0.30 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1klc n SER 9 Cb 1.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1klc n SER 9 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1klc n SER 10 N 0.00 0.00 -4.86 6.43 2.88 -1.26 -5.06 113.62 111.75 1klc n SER 10 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1klc n SER 10 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1klc n SER 10 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1klc s THR 11 N 0.34 5.22 0.12 2.46 2.01 -1.26 -4.95 115.64 119.58 1klc s THR 11 Ca 0.00 -0.21 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 1klc s THR 11 Cb 0.00 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 1klc s THR 11 CO 0.00 0.35 0.18 -0.70 -0.69 0.00 0.00 174.62 173.76 1klc s GLU 12 N -1.82 0.95 0.00 4.92 2.56 -1.26 -5.07 118.70 118.98 1klc s GLU 12 Ca 0.25 -1.13 0.00 0.00 0.00 0.00 0.00 54.97 54.09 1klc s GLU 12 Cb -0.12 0.33 0.00 0.00 2.00 0.00 0.00 34.13 36.33 1klc s GLU 12 CO 0.16 -0.31 0.00 1.63 -0.56 0.00 0.00 175.26 176.19 1klc n LYS 13 N -0.10 0.22 0.00 4.30 5.02 -1.26 -4.97 118.16 121.37 1klc n LYS 13 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1klc n LYS 13 Cb 0.63 -0.62 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1klc n LYS 13 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1klc n ASN 14 N -1.55 0.00 -4.58 4.39 4.13 -1.26 -3.78 115.26 112.61 1klc n ASN 14 Ca 0.00 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.93 1klc n ASN 14 Cb 0.12 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.32 1klc n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1klc s VAL 17 N 1.32 2.72 0.31 0.00 0.11 -1.26 -3.47 120.40 120.15 1klc s VAL 17 Ca -0.01 0.40 0.09 0.00 -2.93 0.00 0.00 61.98 59.53 1klc s VAL 17 Cb -0.14 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 1klc s VAL 17 CO -0.05 0.02 0.10 -0.13 -3.33 0.00 0.00 175.10 171.71 1klc s ARG 18 N 1.80 2.38 0.31 1.54 0.52 -0.25 -4.52 118.95 120.73 1klc s ARG 18 Ca 0.73 -1.48 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 1klc s ARG 18 Cb -0.43 -2.19 -0.10 0.00 0.52 0.00 0.00 34.95 32.75 1klc s ARG 18 CO 0.32 0.20 1.38 1.14 0.02 0.00 0.00 175.30 178.36 1klc s GLN 19 N -3.80 4.29 -0.31 3.54 -2.07 -1.26 -2.34 119.66 117.71 1klc s GLN 19 Ca 0.36 2.29 0.18 0.00 -1.82 0.00 0.00 55.36 56.37 1klc s GLN 19 Cb -0.04 -3.07 0.47 0.00 -1.09 0.00 0.00 33.01 29.27 1klc s GLN 19 CO 0.22 -0.32 1.06 -0.11 -1.32 0.00 0.00 175.29 174.82 1klc n LEU 20 N 1.34 1.04 -4.58 2.60 7.94 -1.26 -4.80 117.00 119.28 1klc n LEU 20 Ca 0.03 -3.47 -0.49 0.00 -1.11 0.00 0.00 56.01 50.97 1klc n LEU 20 Cb 0.41 0.39 -0.04 0.00 0.53 0.00 0.00 43.42 44.71 1klc n LEU 20 CO 0.60 1.45 0.76 0.00 -1.11 0.00 0.00 177.39 179.09 1klc n TYR 21 N -0.33 1.34 -4.06 1.96 4.19 -1.26 -3.42 117.16 115.58 1klc n TYR 21 Ca 0.06 0.67 -0.32 0.00 3.31 0.00 0.00 57.90 61.63 1klc n TYR 21 Cb 0.82 -2.29 -0.16 0.00 0.49 0.00 0.00 39.34 38.20 1klc n TYR 21 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1klc s ILE 22 N -0.05 1.86 -0.89 2.97 1.01 -0.54 -4.85 121.20 120.72 1klc s ILE 22 Ca 0.76 -1.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.18 1klc s ILE 22 Cb -0.87 -1.80 0.07 0.00 0.01 0.00 0.00 42.46 39.86 1klc s ILE 22 CO 0.51 0.34 1.26 -0.62 0.00 0.00 0.00 174.94 176.43 1klc s ASP 23 N 1.33 6.42 0.00 3.58 -1.08 -1.26 -2.33 116.67 123.32 1klc s ASP 23 Ca 0.01 -1.34 0.00 0.00 -0.52 0.00 0.00 52.55 50.70 1klc s ASP 23 Cb -0.15 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1klc s ASP 23 CO -0.10 -1.45 0.00 0.49 0.52 0.00 0.00 175.17 174.63 1klc n PHE 24 N 8.20 0.00 0.03 -5.34 3.72 0.27 0.17 117.46 124.51 1klc n PHE 24 Ca 0.19 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.40 1klc n PHE 24 Cb 0.49 -0.35 -0.14 0.00 -0.94 0.00 0.00 39.48 38.54 1klc n PHE 24 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1klc h ARG 25 N 0.00 0.27 0.08 -1.08 2.43 -1.79 1.34 114.38 115.63 1klc h ARG 25 Ca 0.00 -0.46 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1klc h ARG 25 Cb 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1klc h ARG 25 CO 0.00 1.15 -0.04 -0.22 -1.51 0.00 0.00 179.97 179.36 1klc h LYS 26 N 0.07 -0.10 0.00 0.20 3.64 0.13 -1.35 116.57 119.17 1klc h LYS 26 Ca -0.36 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.92 1klc h LYS 26 Cb 2.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.88 1klc h LYS 26 CO 0.12 0.10 -0.87 -0.25 -2.27 0.00 0.00 179.45 176.28 1klc n ASP 27 N -5.05 1.83 0.11 4.20 8.00 -0.45 -4.52 116.55 120.69 1klc n ASP 27 Ca -0.08 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.07 1klc n ASP 27 Cb 0.14 -0.91 0.03 0.00 -0.02 0.00 0.00 41.12 40.36 1klc n ASP 27 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1klc h LEU 28 N -1.00 0.00 0.14 0.64 3.38 -1.60 -3.47 115.31 113.40 1klc h LEU 28 Ca -0.16 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1klc h LEU 28 Cb 0.87 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1klc h LEU 28 CO -0.10 0.01 -0.05 0.61 0.09 0.00 0.00 178.44 179.00 1klc n GLY 29 N 1.19 0.36 3.59 0.83 0.00 0.44 -4.86 105.19 106.74 1klc n GLY 29 Ca 0.01 -0.03 -0.57 0.00 0.00 0.00 0.00 46.02 45.43 1klc n GLY 29 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1klc n TRP 30 N -2.24 1.32 0.57 1.61 7.02 0.20 -4.78 117.44 121.15 1klc n TRP 30 Ca -0.03 0.81 0.07 0.00 -1.02 0.00 0.00 57.50 57.33 1klc n TRP 30 Cb 0.43 -2.26 -0.08 0.00 -2.42 0.00 0.00 31.31 26.98 1klc n TRP 30 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1klc n LYS 31 N 2.71 2.19 0.00 -0.99 5.02 -1.26 -4.33 118.16 121.50 1klc n LYS 31 Ca 0.21 -0.02 0.14 0.00 -2.02 0.00 0.00 58.31 56.63 1klc n LYS 31 Cb 0.12 -1.18 0.60 0.00 -0.02 0.00 0.00 35.03 34.55 1klc n LYS 31 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1klc n TRP 32 N -1.41 0.00 -4.95 2.13 4.27 -1.26 -4.77 117.44 111.46 1klc n TRP 32 Ca 0.02 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.34 1klc n TRP 32 Cb 0.23 -0.09 -0.17 0.00 -1.36 0.00 0.00 31.31 29.92 1klc n TRP 32 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1klc s ILE 33 N -2.28 1.66 -0.22 -1.67 1.01 -1.26 -4.22 121.20 114.23 1klc s ILE 33 Ca 0.33 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 1klc s ILE 33 Cb 0.20 -1.46 -0.12 0.00 0.01 0.00 0.00 42.46 41.10 1klc s ILE 33 CO 0.43 0.47 -0.13 1.57 0.00 0.00 0.00 174.94 177.28 1klc n HIS 34 N 3.63 0.52 -4.19 3.97 -0.00 -0.38 -4.95 115.22 113.83 1klc n HIS 34 Ca -0.21 0.23 -0.16 0.00 -0.00 0.00 0.00 57.72 57.58 1klc n HIS 34 Cb 0.52 -0.92 -0.11 0.00 -0.00 0.00 0.00 29.99 29.48 1klc n HIS 34 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1klc s GLU 35 N -2.47 0.88 0.93 1.57 2.02 -0.94 -4.28 118.70 116.41 1klc s GLU 35 Ca -0.30 -1.12 -0.14 0.00 0.02 0.00 0.00 54.97 53.43 1klc s GLU 35 Cb 0.08 -0.69 0.16 0.00 0.10 0.00 0.00 34.13 33.78 1klc s GLU 35 CO 0.47 0.13 1.22 -1.25 0.02 0.00 0.00 175.26 175.85 1klc s PRO 36 N -2.48 0.95 0.36 0.39 0.04 -1.26 0.39 135.00 133.38 1klc s PRO 36 Ca 0.04 -0.07 0.03 0.00 0.04 0.00 0.00 61.00 61.04 1klc s PRO 36 Cb -0.05 -1.85 0.67 0.00 0.04 0.00 0.00 34.50 33.31 1klc s PRO 36 CO 0.01 -2.26 2.02 0.87 0.04 0.00 0.00 177.00 177.68 1klc h LYS 37 N -1.54 0.79 0.00 4.56 1.57 -1.96 -3.44 116.57 116.55 1klc h LYS 37 Ca -0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1klc h LYS 37 Cb 1.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1klc h LYS 37 CO 0.51 0.52 0.00 0.41 -0.57 0.00 0.00 179.45 180.32 1klc n GLY 38 N -1.44 3.01 0.00 3.86 0.00 -1.26 0.97 105.19 110.32 1klc n GLY 38 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1klc n GLY 38 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1klc n TYR 39 N 0.00 0.00 -2.93 1.61 4.11 -0.99 -4.85 117.16 114.11 1klc n TYR 39 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.90 57.46 1klc n TYR 39 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1klc n TYR 39 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 1klc s HIS 40 N -2.00 3.44 0.34 -3.48 3.76 -1.26 -1.46 115.29 114.62 1klc s HIS 40 Ca 0.00 -2.04 0.15 0.00 -0.15 0.00 0.00 55.06 53.02 1klc s HIS 40 Cb 0.00 -4.33 0.78 0.00 1.11 0.00 0.00 32.58 30.14 1klc s HIS 40 CO 0.00 -1.42 1.83 0.00 -0.85 0.00 0.00 174.74 174.30 1klc h ALA 41 N 7.34 1.29 -2.21 -1.40 0.00 -1.86 -3.39 119.26 119.03 1klc h ALA 41 Ca 0.31 -0.32 0.24 0.00 0.00 0.00 0.00 54.91 55.13 1klc h ALA 41 Cb 0.89 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1klc h ALA 41 CO 1.24 0.45 -0.42 0.09 0.00 0.00 0.00 179.25 180.60 1klc n ASN 42 N -3.94 -5.42 0.00 0.00 3.02 -1.22 -2.76 115.26 104.94 1klc n ASN 42 Ca -0.02 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1klc n ASN 42 Cb 0.41 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 1klc n ASN 42 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1klc n PHE 43 N -3.08 0.00 -4.15 3.10 -1.74 -0.99 -4.57 117.46 106.03 1klc n PHE 43 Ca -0.01 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.73 1klc n PHE 43 Cb 0.61 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.48 1klc n PHE 43 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1klc s LEU 45 N -1.10 1.99 0.00 0.00 1.43 -1.23 -4.90 118.68 114.87 1klc s LEU 45 Ca -0.04 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1klc s LEU 45 Cb -0.07 0.35 0.00 0.00 0.03 0.00 0.00 46.19 46.49 1klc s LEU 45 CO 0.00 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.83 1klc n GLY 46 N 1.35 -2.31 0.00 -3.19 0.00 -1.25 -3.41 105.19 96.38 1klc n GLY 46 Ca -0.22 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1klc n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1klc n PRO 47 N -1.12 0.90 -3.90 1.61 -0.04 -1.26 -3.37 135.00 127.82 1klc n PRO 47 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1klc n PRO 47 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1klc n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1klc n PRO 49 N 0.40 1.87 -0.07 0.00 -0.04 -1.26 -4.77 135.00 131.13 1klc n PRO 49 Ca -0.17 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 1klc n PRO 49 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.03 1klc n PRO 49 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1klc h TYR 50 N -0.17 0.00 0.00 0.54 0.05 -1.90 -3.37 116.97 112.12 1klc h TYR 50 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1klc h TYR 50 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1klc h TYR 50 CO 0.00 0.22 0.00 0.44 -1.05 0.00 0.00 178.16 177.77 1klc n ILE 51 N -4.61 0.00 -1.88 -2.88 -5.35 -1.26 -4.41 119.36 98.97 1klc n ILE 51 Ca -0.10 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.97 1klc n ILE 51 Cb 0.29 -0.42 -0.00 0.00 -1.74 0.00 0.00 39.64 37.77 1klc n ILE 51 CO 0.00 0.00 0.00 1.87 -1.76 0.00 0.00 176.55 176.66 1klc n TRP 52 N 0.07 3.01 -3.55 4.28 -0.00 -1.26 -4.70 117.44 115.29 1klc n TRP 52 Ca 0.00 -2.92 -0.29 0.00 -0.00 0.00 0.00 57.50 54.29 1klc n TRP 52 Cb 0.21 -2.25 0.02 0.00 -0.00 0.00 0.00 31.31 29.28 1klc n TRP 52 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1klc n SER 53 N 4.34 -5.55 -4.71 5.87 7.64 -1.26 -4.84 113.62 115.10 1klc n SER 53 Ca 0.54 -0.42 -0.42 0.00 1.01 0.00 0.00 58.87 59.59 1klc n SER 53 Cb 0.33 -2.13 -0.03 0.00 -1.01 0.00 0.00 64.21 61.37 1klc n SER 53 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1klc s LEU 54 N -3.51 4.39 -0.06 -3.43 1.43 -1.26 -4.52 118.68 111.71 1klc s LEU 54 Ca 0.21 1.87 -0.03 0.00 -1.03 0.00 0.00 54.13 55.15 1klc s LEU 54 Cb -0.02 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1klc s LEU 54 CO 0.87 -0.35 -0.05 -0.78 0.23 0.00 0.00 176.35 176.27 1klc h ASP 55 N 6.59 0.00 -2.40 2.29 3.58 -1.89 -3.48 116.42 121.11 1klc h ASP 55 Ca -0.42 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 56.59 1klc h ASP 55 Cb 1.22 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.30 1klc h ASP 55 CO 0.78 0.34 -0.12 0.42 -2.88 0.00 0.00 179.24 177.78 1klc s THR 56 N -1.49 3.36 0.29 2.25 -4.23 -1.26 -4.98 115.64 109.57 1klc s THR 56 Ca -0.04 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 1klc s THR 56 Cb 0.01 -3.22 0.08 0.00 1.34 0.00 0.00 72.50 70.70 1klc s THR 56 CO 0.06 -0.14 1.74 -0.61 -0.54 0.00 0.00 174.62 175.13 1klc h GLN 57 N 0.35 0.49 0.00 3.99 4.15 -1.99 -1.31 115.11 120.79 1klc h GLN 57 Ca -0.44 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 58.81 1klc h GLN 57 Cb 1.27 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1klc h GLN 57 CO 0.53 0.68 0.00 0.98 -1.93 0.00 0.00 178.83 179.09 1klc n TYR 58 N -4.14 0.00 0.08 3.99 9.36 -1.26 -1.93 117.16 123.25 1klc n TYR 58 Ca -0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1klc n TYR 58 Cb 0.39 -0.47 -0.06 0.00 -0.63 0.00 0.00 39.34 38.57 1klc n TYR 58 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1klc h SER 59 N 0.00 0.05 0.41 2.98 0.02 -1.55 -2.71 113.55 112.75 1klc h SER 59 Ca 0.00 -0.05 -0.31 0.00 -0.84 0.00 0.00 61.79 60.59 1klc h SER 59 Cb 0.16 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1klc h SER 59 CO 0.00 0.96 -1.65 0.07 -1.14 0.00 0.00 176.83 175.07 1klc h LYS 60 N 0.01 0.19 0.47 3.45 2.10 -1.49 -2.91 116.57 118.39 1klc h LYS 60 Ca -0.02 -0.32 -0.02 0.00 -2.00 0.00 0.00 60.65 58.29 1klc h LYS 60 Cb 1.64 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 33.10 1klc h LYS 60 CO 0.13 0.99 -0.23 0.28 -2.00 0.00 0.00 179.45 178.62 1klc h VAL 61 N 0.05 0.00 -0.95 0.07 2.07 -1.59 -3.14 116.25 112.76 1klc h VAL 61 Ca -0.28 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1klc h VAL 61 Cb 2.01 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 1klc h VAL 61 CO 0.13 0.00 0.60 0.25 0.02 0.00 0.00 177.57 178.57 1klc h LEU 62 N -0.87 0.94 -1.41 2.57 5.85 -1.67 -0.16 115.31 120.56 1klc h LEU 62 Ca -0.06 0.02 0.36 0.00 0.84 0.00 0.00 57.88 59.03 1klc h LEU 62 Cb 0.48 -0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.22 1klc h LEU 62 CO 0.11 0.59 0.77 0.00 -0.34 0.00 0.00 178.44 179.57 1klc h ALA 63 N 1.45 2.54 0.01 1.25 0.00 -1.52 0.73 119.26 123.72 1klc h ALA 63 Ca 0.42 0.09 -0.30 0.00 0.00 0.00 0.00 54.91 55.12 1klc h ALA 63 Cb 0.22 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1klc h ALA 63 CO -0.19 -1.06 -1.72 1.28 0.00 0.00 0.00 179.25 177.56 1klc n LEU 64 N -4.64 0.96 -0.12 0.00 4.77 -0.22 -2.59 117.00 115.15 1klc n LEU 64 Ca 0.32 0.41 0.16 0.00 -0.03 0.00 0.00 56.01 56.87 1klc n LEU 64 Cb 1.19 0.11 0.55 0.00 -2.33 0.00 0.00 43.42 42.94 1klc n LEU 64 CO 0.23 0.41 1.20 0.22 -1.33 0.00 0.00 177.39 178.13 1klc h TYR 65 N 0.00 0.37 0.00 -1.77 3.20 0.19 0.34 116.97 119.30 1klc h TYR 65 Ca -0.29 0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.32 1klc h TYR 65 Cb 2.02 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 40.13 1klc h TYR 65 CO 0.00 0.15 -1.48 -1.71 -1.64 0.00 0.00 178.16 173.48 1klc n ASN 66 N -4.45 1.88 0.12 -2.11 5.15 -0.55 -2.95 115.26 112.34 1klc n ASN 66 Ca 0.13 0.41 0.07 0.00 -0.60 0.00 0.00 54.58 54.59 1klc n ASN 66 Cb 0.54 -0.94 0.37 0.00 -0.53 0.00 0.00 39.78 39.22 1klc n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1klc n GLN 67 N -4.40 0.09 -0.11 1.20 1.13 -1.03 -1.45 117.38 112.81 1klc n GLN 67 Ca -0.36 0.56 -0.18 0.00 -1.94 0.00 0.00 57.00 55.08 1klc n GLN 67 Cb 0.72 -1.89 -0.12 0.00 0.11 0.00 0.00 30.24 29.06 1klc n GLN 67 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1klc n HIS 68 N -1.98 0.15 -3.25 1.08 8.25 0.12 -4.84 115.22 114.75 1klc n HIS 68 Ca -0.01 0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1klc n HIS 68 Cb 0.12 -1.02 -0.08 0.00 1.12 0.00 0.00 29.99 30.13 1klc n HIS 68 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1klc s ASN 69 N -6.56 6.26 -0.58 0.41 -0.87 -0.53 -5.01 114.94 108.06 1klc s ASN 69 Ca -0.33 -0.34 -0.28 0.00 -1.57 0.00 0.00 52.86 50.35 1klc s ASN 69 Cb 0.09 -2.26 0.02 0.00 -0.02 0.00 0.00 41.25 39.08 1klc s ASN 69 CO 0.62 -0.57 1.35 -2.16 -2.57 0.00 0.00 177.10 173.78 1klc s PRO 70 N 2.37 3.34 0.00 -0.60 0.04 -1.26 -3.13 135.00 135.76 1klc s PRO 70 Ca 0.17 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1klc s PRO 70 Cb -0.16 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1klc s PRO 70 CO 0.15 -1.90 0.00 0.41 0.04 0.00 0.00 177.00 175.70 1klc n GLY 71 N 5.22 1.81 3.34 0.56 0.00 -1.26 -5.11 105.19 109.75 1klc n GLY 71 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1klc n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1klc s ALA 72 N -1.99 2.70 -0.38 4.61 0.00 -1.18 -4.98 121.76 120.54 1klc s ALA 72 Ca 0.00 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.03 1klc s ALA 72 Cb 0.00 -1.41 0.68 0.00 0.00 0.00 0.00 23.12 22.39 1klc s ALA 72 CO 0.00 -0.03 1.82 0.43 0.00 0.00 0.00 175.76 177.98 1klc n SER 73 N 4.04 4.02 -1.39 0.00 7.64 -1.26 -4.41 113.62 122.26 1klc n SER 73 Ca -0.18 -3.48 0.05 0.00 1.01 0.00 0.00 58.87 56.27 1klc n SER 73 Cb 0.52 -0.78 0.27 0.00 -1.01 0.00 0.00 64.21 63.21 1klc n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1klc n ALA 74 N -0.77 3.34 -0.70 -0.43 0.00 -1.26 -4.95 120.51 115.74 1klc n ALA 74 Ca 0.49 -1.25 -0.06 0.00 0.00 0.00 0.00 53.44 52.63 1klc n ALA 74 Cb 1.49 -1.07 0.10 0.00 0.00 0.00 0.00 19.45 19.96 1klc n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1klc n ALA 75 N 0.48 -1.74 -1.00 0.00 0.00 -1.26 -4.89 120.51 112.10 1klc n ALA 75 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1klc n ALA 75 Cb 0.85 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1klc n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1klc n PRO 76 N -1.96 0.81 -3.42 0.00 -0.04 -1.26 -5.02 135.00 124.11 1klc n PRO 76 Ca 0.05 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 1klc n PRO 76 Cb 0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.56 1klc n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1klc s VAL 79 N -0.77 0.06 -0.80 0.00 -7.23 -1.10 -4.73 120.40 105.83 1klc s VAL 79 Ca 0.61 -1.66 -0.26 0.00 -1.81 0.00 0.00 61.98 58.86 1klc s VAL 79 Cb -0.66 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.24 1klc s VAL 79 CO 0.58 -0.28 1.54 -2.16 -0.31 0.00 0.00 175.10 174.47 1klc s PRO 80 N -4.03 3.08 -0.00 4.82 0.04 -1.26 0.79 135.00 138.44 1klc s PRO 80 Ca 0.23 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 60.99 1klc s PRO 80 Cb 0.05 -4.63 -0.00 0.00 0.04 0.00 0.00 34.50 29.95 1klc s PRO 80 CO 0.03 -2.45 0.63 0.37 0.04 0.00 0.00 177.00 175.62 1klc h GLN 81 N 11.21 -0.03 -6.41 4.56 4.15 -0.62 -3.44 115.11 124.54 1klc h GLN 81 Ca -0.11 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.77 1klc h GLN 81 Cb 1.06 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.72 1klc h GLN 81 CO 1.29 -0.02 0.08 0.00 -1.93 0.00 0.00 178.83 178.25 1klc s ALA 82 N -3.06 3.50 0.00 3.38 0.00 -1.02 -5.00 121.76 119.56 1klc s ALA 82 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1klc s ALA 82 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1klc s ALA 82 CO 0.01 0.35 0.00 1.28 0.00 0.00 0.00 175.76 177.40 1klc n LEU 83 N 1.48 0.00 -3.81 0.00 4.77 -1.26 -1.26 117.00 116.92 1klc n LEU 83 Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 1klc n LEU 83 Cb 0.50 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1klc n LEU 83 CO 0.44 0.00 -0.04 -1.61 -1.33 0.00 0.00 177.39 174.84 1klc s GLU 84 N -1.83 0.84 0.00 3.23 2.02 -0.29 -4.63 118.70 118.04 1klc s GLU 84 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1klc s GLU 84 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.58 1klc s GLU 84 CO 0.00 -0.27 0.00 -0.35 0.02 0.00 0.00 175.26 174.66 1klc n PRO 85 N 0.16 0.65 -3.15 0.39 -0.04 -1.26 0.92 135.00 132.67 1klc n PRO 85 Ca -0.16 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.34 1klc n PRO 85 Cb 0.61 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.06 1klc n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1klc s LEU 86 N 0.00 -1.03 -0.45 1.53 2.96 0.16 -4.27 118.68 117.57 1klc s LEU 86 Ca 0.00 0.64 -0.28 0.00 -0.22 0.00 0.00 54.13 54.27 1klc s LEU 86 Cb 0.00 1.86 0.01 0.00 0.50 0.00 0.00 46.19 48.56 1klc s LEU 86 CO 0.00 -0.19 1.45 -2.16 -1.32 0.00 0.00 176.35 174.12 1klc s PRO 87 N 2.90 3.47 0.00 0.98 0.04 -1.26 0.17 135.00 141.29 1klc s PRO 87 Ca 0.13 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1klc s PRO 87 Cb -0.13 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1klc s PRO 87 CO -0.17 -1.71 0.00 0.44 0.04 0.00 0.00 177.00 175.60 1klc n ILE 88 N 7.06 0.00 -3.17 0.56 -5.35 -0.81 -4.28 119.36 113.37 1klc n ILE 88 Ca 0.16 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.68 1klc n ILE 88 Cb 0.48 -0.02 -0.01 0.00 -1.74 0.00 0.00 39.64 38.35 1klc n ILE 88 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1klc s VAL 89 N 0.84 -0.79 0.11 7.28 1.01 0.16 -2.85 120.40 126.17 1klc s VAL 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1klc s VAL 89 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 1klc s VAL 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 1klc n TYR 90 N 5.43 0.24 -4.79 5.22 4.11 -0.88 -1.25 117.16 125.26 1klc n TYR 90 Ca -0.03 -0.56 -0.25 0.00 -0.00 0.00 0.00 57.90 57.05 1klc n TYR 90 Cb 0.52 -0.07 -0.16 0.00 -0.00 0.00 0.00 39.34 39.63 1klc n TYR 90 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1klc s TYR 91 N -1.46 1.59 -0.53 -3.48 1.51 -1.26 -1.71 117.35 112.01 1klc s TYR 91 Ca 0.00 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1klc s TYR 91 Cb 0.00 -1.07 0.14 0.00 -0.11 0.00 0.00 41.96 40.92 1klc s TYR 91 CO 0.00 -0.13 0.33 0.08 -1.11 0.00 0.00 175.55 174.72 1klc s VAL 92 N -0.05 3.33 0.00 0.71 1.01 -0.62 -4.89 120.40 119.88 1klc s VAL 92 Ca -0.01 -2.75 0.00 0.00 0.00 0.00 0.00 61.98 59.21 1klc s VAL 92 Cb -0.10 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1klc s VAL 92 CO 0.01 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 174.92 1klc n GLY 93 N 3.75 1.80 0.00 4.51 0.00 -1.26 -2.45 105.19 111.54 1klc n GLY 93 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1klc n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1klc n ARG 94 N 0.00 0.00 -3.74 1.61 1.74 -1.26 -5.05 116.66 109.96 1klc n ARG 94 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1klc n ARG 94 Cb 0.00 -0.32 -0.12 0.00 -1.02 0.00 0.00 32.46 31.00 1klc n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1klc s LYS 95 N 0.00 3.77 0.24 5.56 1.02 -1.03 -5.07 119.74 124.23 1klc s LYS 95 Ca 0.00 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 1klc s LYS 95 Cb 0.00 -3.40 -0.09 0.00 -0.52 0.00 0.00 37.83 33.82 1klc s LYS 95 CO 0.00 -0.13 1.05 -1.25 -0.92 0.00 0.00 175.35 174.10 1klc s PRO 96 N 1.51 4.70 -0.04 -1.68 0.04 -1.26 -1.60 135.00 136.66 1klc s PRO 96 Ca 0.06 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 1klc s PRO 96 Cb -0.15 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1klc s PRO 96 CO 0.05 0.27 0.08 0.15 0.04 0.00 0.00 177.00 177.60 1klc s LYS 97 N -1.09 -0.00 -0.07 4.56 1.02 -0.70 -4.95 119.74 118.51 1klc s LYS 97 Ca 0.45 0.32 -0.15 0.00 0.02 0.00 0.00 55.97 56.60 1klc s LYS 97 Cb -0.29 -0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 36.69 1klc s LYS 97 CO 0.37 -0.21 0.38 0.08 -0.92 0.00 0.00 175.35 175.04 1klc s VAL 98 N 1.44 5.15 0.00 3.17 1.01 -1.26 -2.07 120.40 127.84 1klc s VAL 98 Ca -0.05 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1klc s VAL 98 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1klc s VAL 98 CO -0.04 0.49 0.00 1.21 0.00 0.00 0.00 175.10 176.76 1klc n GLU 99 N 2.59 1.47 -3.18 2.72 2.13 -1.13 -4.96 120.64 120.28 1klc n GLU 99 Ca -0.12 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.53 1klc n GLU 99 Cb 0.52 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.17 1klc n GLU 99 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1klc s GLN 100 N 1.09 0.89 0.43 5.31 -0.21 -1.25 -1.92 119.66 124.01 1klc s GLN 100 Ca 0.00 -1.46 -0.21 0.00 0.02 0.00 0.00 55.36 53.70 1klc s GLN 100 Cb 0.00 -0.80 -0.13 0.00 1.00 0.00 0.00 33.01 33.08 1klc s GLN 100 CO 0.00 -1.32 0.36 1.28 -2.12 0.00 0.00 175.29 173.49 1klc n LEU 101 N 3.22 -1.07 -4.85 2.90 4.77 0.13 -4.22 117.00 117.88 1klc n LEU 101 Ca 0.21 0.85 -0.36 0.00 -0.03 0.00 0.00 56.01 56.68 1klc n LEU 101 Cb 0.50 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 1klc n LEU 101 CO 0.05 -3.43 -0.19 -0.44 -1.33 0.00 0.00 177.39 172.04 1klc s SER 102 N -0.99 6.16 -1.50 -1.43 0.01 -1.26 0.39 113.70 115.07 1klc s SER 102 Ca 0.62 0.37 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1klc s SER 102 Cb -0.59 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1klc s SER 102 CO 0.60 0.36 0.00 0.59 0.41 0.00 0.00 173.24 175.20 1klc n ASN 103 N 1.72 -4.98 -1.54 2.44 3.02 -0.97 -4.80 115.26 110.15 1klc n ASN 103 Ca -0.17 0.11 0.01 0.00 -0.03 0.00 0.00 54.58 54.49 1klc n ASN 103 Cb 0.54 -4.20 0.25 0.00 -0.61 0.00 0.00 39.78 35.75 1klc n ASN 103 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1klc n MET 104 N -2.84 3.33 -3.83 3.52 1.56 0.26 -4.67 117.12 114.45 1klc n MET 104 Ca -0.20 -2.14 -0.09 0.00 -0.27 0.00 0.00 57.70 55.00 1klc n MET 104 Cb 0.65 -1.99 -0.04 0.00 2.15 0.00 0.00 33.22 33.99 1klc n MET 104 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1klc s ILE 105 N -2.22 0.02 0.12 1.12 1.01 0.19 -4.79 121.20 116.65 1klc s ILE 105 Ca 0.38 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 60.11 1klc s ILE 105 Cb 0.29 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1klc s ILE 105 CO 0.10 -0.08 -0.13 -0.69 0.00 0.00 0.00 174.94 174.15 1klc s VAL 106 N -3.92 3.16 0.00 2.92 1.01 -1.11 -1.13 120.40 121.32 1klc s VAL 106 Ca 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1klc s VAL 106 Cb -0.02 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1klc s VAL 106 CO 0.02 0.07 0.56 -1.14 0.00 0.00 0.00 175.10 174.60 1klc n ARG 107 N 0.62 0.00 0.00 2.72 0.63 -0.39 -4.73 116.66 115.51 1klc n ARG 107 Ca -0.14 -0.52 0.00 0.00 -0.92 0.00 0.00 57.85 56.27 1klc n ARG 107 Cb 0.53 -0.39 0.00 0.00 0.45 0.00 0.00 32.46 33.04 1klc n ARG 107 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1klc n SER 108 N 0.00 0.00 -2.40 6.15 3.41 -1.22 -4.47 113.62 115.08 1klc n SER 108 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1klc n SER 108 Cb 0.55 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 1klc n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1klc n LYS 110 N -1.25 0.00 -3.29 0.00 2.85 0.24 -4.40 118.16 112.31 1klc n LYS 110 Ca 0.02 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.20 1klc n LYS 110 Cb 0.09 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.42 1klc n LYS 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35