#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckl s ILE 7 N 0.00 0.03 -0.02 5.15 1.01 -1.26 -5.14 121.20 120.97 2ckl s ILE 7 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 2ckl s ILE 7 Cb 0.00 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 2ckl s ILE 7 CO 0.00 -0.14 1.31 -0.54 0.00 0.00 0.00 174.94 175.57 2ckl s LYS 8 N -0.50 4.32 0.48 2.79 1.02 -1.26 -4.93 119.74 121.66 2ckl s LYS 8 Ca -0.06 1.83 0.19 0.00 0.02 0.00 0.00 55.97 57.94 2ckl s LYS 8 Cb -0.04 -3.56 1.20 0.00 -0.52 0.00 0.00 37.83 34.91 2ckl s LYS 8 CO 0.01 -0.51 2.01 0.97 -0.92 0.00 0.00 175.35 176.91 2ckl h ILE 9 N 4.95 0.85 0.00 2.17 6.09 -1.99 -0.14 117.51 129.43 2ckl h ILE 9 Ca -0.36 -0.07 -0.05 0.00 -1.37 0.00 0.00 64.86 63.01 2ckl h ILE 9 Cb 1.17 0.63 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 2ckl h ILE 9 CO 0.89 0.04 -0.23 0.71 -3.07 0.00 0.00 178.15 176.49 2ckl h THR 10 N 0.20 0.94 -0.10 2.19 1.35 -2.00 0.14 112.91 115.62 2ckl h THR 10 Ca 0.23 -0.86 -0.12 0.00 -0.55 0.00 0.00 66.41 65.11 2ckl h THR 10 Cb 0.66 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 2ckl h THR 10 CO -0.04 0.23 -0.46 -0.33 -0.25 0.00 0.00 175.52 174.66 2ckl h GLU 11 N 0.00 0.24 0.04 4.72 4.39 -1.42 -3.28 114.58 119.28 2ckl h GLU 11 Ca -0.00 -0.13 -0.25 0.00 0.34 0.00 0.00 59.36 59.32 2ckl h GLU 11 Cb 0.48 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2ckl h GLU 11 CO 0.03 0.66 -1.27 -0.07 -1.16 0.00 0.00 179.01 177.20 2ckl h LEU 12 N 0.20 0.14 -0.79 1.33 3.38 -1.07 -3.41 115.31 115.09 2ckl h LEU 12 Ca 0.01 -0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.00 2ckl h LEU 12 Cb 0.90 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 2ckl h LEU 12 CO 0.07 1.14 0.06 0.78 0.09 0.00 0.00 178.44 180.59 2ckl h ASN 13 N 0.02 -0.26 -0.43 -0.43 2.35 -0.84 0.12 115.58 116.11 2ckl h ASN 13 Ca -0.12 0.19 0.13 0.00 -0.55 0.00 0.00 56.30 55.95 2ckl h ASN 13 Cb 1.89 0.32 -0.02 0.00 0.05 0.00 0.00 38.32 40.57 2ckl h ASN 13 CO 0.14 -0.17 0.49 1.55 -1.65 0.00 0.00 177.43 177.79 2ckl h PRO 14 N 0.13 0.00 -0.01 0.81 0.13 -1.79 0.30 132.00 131.58 2ckl h PRO 14 Ca 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.58 2ckl h PRO 14 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2ckl h PRO 14 CO -0.66 0.00 -0.27 0.72 -0.23 0.00 0.00 178.00 177.56 2ckl n HIS 15 N -3.64 0.00 -0.01 1.56 8.25 0.42 -4.17 115.22 117.63 2ckl n HIS 15 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2ckl n HIS 15 Cb 0.67 -0.07 0.01 0.00 1.12 0.00 0.00 29.99 31.71 2ckl n HIS 15 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ckl n LEU 16 N -0.33 2.04 -4.26 2.41 4.77 0.08 -5.04 117.00 116.67 2ckl n LEU 16 Ca 0.12 -2.00 -0.28 0.00 -0.03 0.00 0.00 56.01 53.82 2ckl n LEU 16 Cb 0.39 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.31 2ckl n LEU 16 CO 0.25 0.51 -0.54 -0.04 -1.33 0.00 0.00 177.39 176.24 2ckl s MET 17 N -1.00 1.71 -0.13 3.23 -1.94 -1.09 -1.62 119.30 118.45 2ckl s MET 17 Ca 0.01 -0.87 -0.20 0.00 -1.71 0.00 0.00 55.69 52.91 2ckl s MET 17 Cb 0.01 -1.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.08 2ckl s MET 17 CO 0.01 0.46 0.58 0.00 -0.01 0.00 0.00 175.02 176.06 2ckl h VAL 19 N 4.88 0.16 0.00 0.00 -1.51 -1.87 0.14 116.25 118.05 2ckl h VAL 19 Ca -0.38 -0.84 -0.14 0.00 -1.23 0.00 0.00 66.70 64.11 2ckl h VAL 19 Cb 1.17 1.73 -0.02 0.00 -2.13 0.00 0.00 31.29 32.04 2ckl h VAL 19 CO 0.76 0.07 -0.67 -0.07 -1.23 0.00 0.00 177.57 176.43 2ckl h LEU 20 N 0.00 0.00 0.00 4.19 3.38 -1.95 -3.35 115.31 117.58 2ckl h LEU 20 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ckl h LEU 20 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2ckl h LEU 20 CO 0.01 0.67 -0.54 0.00 0.09 0.00 0.00 178.44 178.66 2ckl n GLY 22 N 1.48 0.48 3.38 0.00 0.00 0.47 -5.03 105.19 105.98 2ckl n GLY 22 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2ckl n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckl n GLY 23 N -2.62 3.52 3.76 -0.02 0.00 -1.21 -4.88 105.19 103.73 2ckl n GLY 23 Ca -0.01 -2.30 -0.37 0.00 0.00 0.00 0.00 46.02 43.35 2ckl n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ckl s TYR 24 N -2.81 2.46 0.11 1.61 2.02 -1.26 -0.42 117.35 119.07 2ckl s TYR 24 Ca 0.05 1.49 -0.34 0.00 -0.37 0.00 0.00 57.07 57.90 2ckl s TYR 24 Cb 0.00 -3.54 -0.14 0.00 -0.40 0.00 0.00 41.96 37.89 2ckl s TYR 24 CO 0.04 -2.23 1.61 1.19 -1.57 0.00 0.00 175.55 174.58 2ckl n PHE 25 N -1.23 2.22 -4.12 2.71 3.72 -0.64 -4.66 117.46 115.45 2ckl n PHE 25 Ca 0.12 0.26 -0.30 0.00 -0.05 0.00 0.00 57.45 57.48 2ckl n PHE 25 Cb 0.48 -2.54 -0.17 0.00 -0.94 0.00 0.00 39.48 36.31 2ckl n PHE 25 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2ckl s ILE 26 N 1.40 1.53 -1.19 4.37 -1.09 -1.26 -4.74 121.20 120.22 2ckl s ILE 26 Ca 0.82 -0.62 -0.05 0.00 -2.23 0.00 0.00 60.65 58.56 2ckl s ILE 26 Cb -0.71 -1.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.72 2ckl s ILE 26 CO 0.41 0.45 0.83 0.47 -1.23 0.00 0.00 174.94 175.87 2ckl n ASP 27 N 4.64 -3.43 -4.59 3.58 8.00 -1.26 -2.80 116.55 120.69 2ckl n ASP 27 Ca -0.17 -0.79 -0.48 0.00 0.71 0.00 0.00 54.79 54.06 2ckl n ASP 27 Cb 0.50 -4.44 -0.04 0.00 -0.02 0.00 0.00 41.12 37.13 2ckl n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ckl n ALA 28 N -3.96 -0.48 -3.61 2.24 0.00 -1.26 -1.38 120.51 112.05 2ckl n ALA 28 Ca -0.20 0.45 -0.15 0.00 0.00 0.00 0.00 53.44 53.53 2ckl n ALA 28 Cb 0.65 -2.05 -0.16 0.00 0.00 0.00 0.00 19.45 17.88 2ckl n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ckl s THR 29 N -0.29 0.02 -0.04 0.00 2.01 0.41 -0.65 115.64 117.10 2ckl s THR 29 Ca 0.71 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.91 2ckl s THR 29 Cb -0.81 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 2ckl s THR 29 CO 0.53 0.09 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.42 2ckl s THR 30 N 0.89 1.96 -0.23 -0.82 2.01 0.03 -0.77 115.64 118.71 2ckl s THR 30 Ca -0.08 -1.03 -0.27 0.00 0.31 0.00 0.00 61.69 60.62 2ckl s THR 30 Cb -0.11 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.75 2ckl s THR 30 CO -0.02 0.55 0.92 -0.63 -0.69 0.00 0.00 174.62 174.75 2ckl s ILE 31 N -0.32 4.77 0.22 1.82 1.01 -0.33 -0.92 121.20 127.45 2ckl s ILE 31 Ca 0.02 1.78 0.21 0.00 0.00 0.00 0.00 60.65 62.66 2ckl s ILE 31 Cb -0.12 -4.20 0.18 0.00 0.01 0.00 0.00 42.46 38.33 2ckl s ILE 31 CO 0.02 -0.11 1.82 0.16 0.00 0.00 0.00 174.94 176.83 2ckl h ILE 32 N 5.41 0.78 -0.17 2.92 3.07 -1.58 0.26 117.51 128.20 2ckl h ILE 32 Ca -0.22 -1.23 -0.10 0.00 1.55 0.00 0.00 64.86 64.86 2ckl h ILE 32 Cb 1.08 1.77 -0.01 0.00 -0.27 0.00 0.00 36.82 39.39 2ckl h ILE 32 CO 0.91 0.29 -0.34 -0.33 -1.05 0.00 0.00 178.15 177.63 2ckl h GLU 33 N 0.00 0.35 0.00 0.16 4.39 -1.88 -3.37 114.58 114.24 2ckl h GLU 33 Ca -0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2ckl h GLU 33 Cb 0.74 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2ckl h GLU 33 CO 0.04 0.66 -0.07 0.00 -1.16 0.00 0.00 179.01 178.48 2ckl n LEU 35 N -0.52 -1.28 -4.81 0.00 4.77 0.92 -5.03 117.00 111.05 2ckl n LEU 35 Ca 0.00 0.15 -0.34 0.00 -0.03 0.00 0.00 56.01 55.79 2ckl n LEU 35 Cb 0.00 -2.01 -0.07 0.00 -2.33 0.00 0.00 43.42 39.01 2ckl n LEU 35 CO 0.00 -0.41 0.58 -1.00 -1.33 0.00 0.00 177.39 175.23 2ckl s HIS 36 N -2.57 3.47 0.11 -1.77 3.76 -1.25 -4.80 115.29 112.24 2ckl s HIS 36 Ca 0.00 1.56 0.08 0.00 -0.15 0.00 0.00 55.06 56.55 2ckl s HIS 36 Cb 0.00 -2.79 -0.04 0.00 1.11 0.00 0.00 32.58 30.87 2ckl s HIS 36 CO 0.00 0.07 -0.19 -1.12 -0.85 0.00 0.00 174.74 172.65 2ckl s SER 37 N -1.97 2.38 0.19 1.40 0.01 -1.26 -1.18 113.70 113.26 2ckl s SER 37 Ca 0.55 -0.73 -0.15 0.00 1.31 0.00 0.00 55.95 56.93 2ckl s SER 37 Cb -0.13 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.00 2ckl s SER 37 CO 0.18 -0.01 0.45 -0.36 0.41 0.00 0.00 173.24 173.91 2ckl s PHE 38 N -1.49 0.04 0.56 2.43 0.08 0.05 -4.74 117.98 114.91 2ckl s PHE 38 Ca 0.08 -0.40 -0.21 0.00 0.12 0.00 0.00 56.93 56.52 2ckl s PHE 38 Cb -0.08 0.25 -0.04 0.00 -0.57 0.00 0.00 43.02 42.58 2ckl s PHE 38 CO 0.04 -0.86 1.33 0.00 -0.10 0.00 0.00 175.22 175.63 2ckl h LYS 40 N 1.33 -0.19 -0.68 0.00 3.64 -1.05 -1.97 116.57 117.64 2ckl h LYS 40 Ca -0.51 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 2ckl h LYS 40 Cb 1.30 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 2ckl h LYS 40 CO 0.57 -0.13 0.13 1.79 -2.27 0.00 0.00 179.45 179.54 2ckl h THR 41 N -0.20 1.26 -0.09 1.00 1.35 -1.87 -1.60 112.91 112.76 2ckl h THR 41 Ca 0.16 -1.01 0.02 0.00 -0.55 0.00 0.00 66.41 65.03 2ckl h THR 41 Cb 0.46 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 2ckl h THR 41 CO -0.44 0.38 -0.05 0.00 -0.25 0.00 0.00 175.52 175.17 2ckl h ILE 43 N -0.04 1.54 -0.13 0.00 6.09 -1.20 -1.53 117.51 122.25 2ckl h ILE 43 Ca 0.05 -2.92 -0.01 0.00 -1.37 0.00 0.00 64.86 60.61 2ckl h ILE 43 Cb 0.12 2.69 -0.01 0.00 0.47 0.00 0.00 36.82 40.10 2ckl h ILE 43 CO -0.12 0.85 0.04 0.58 -3.07 0.00 0.00 178.15 176.43 2ckl h VAL 44 N 0.08 1.18 -0.43 2.19 2.07 -1.20 -0.55 116.25 119.58 2ckl h VAL 44 Ca -0.06 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2ckl h VAL 44 Cb 1.70 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 2ckl h VAL 44 CO 0.15 0.16 0.28 0.03 0.02 0.00 0.00 177.57 178.22 2ckl h ARG 45 N 0.02 0.57 -0.51 1.57 3.08 -1.40 -2.71 114.38 115.00 2ckl h ARG 45 Ca 0.04 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2ckl h ARG 45 Cb 0.22 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2ckl h ARG 45 CO -0.00 0.38 0.27 -0.92 -1.07 0.00 0.00 179.97 178.63 2ckl h TYR 46 N 0.58 0.50 0.00 3.04 5.03 -1.12 -1.87 116.97 123.13 2ckl h TYR 46 Ca 0.16 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.49 2ckl h TYR 46 Cb -0.06 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.07 2ckl h TYR 46 CO -0.04 0.25 0.00 1.28 -1.32 0.00 0.00 178.16 178.33 2ckl n LEU 47 N -4.86 0.00 0.23 2.82 4.77 -0.23 -1.52 117.00 118.21 2ckl n LEU 47 Ca 0.04 0.23 0.08 0.00 -0.03 0.00 0.00 56.01 56.33 2ckl n LEU 47 Cb 0.12 -0.23 0.62 0.00 -2.33 0.00 0.00 43.42 41.59 2ckl n LEU 47 CO 0.30 -0.08 1.08 -0.33 -1.33 0.00 0.00 177.39 177.02 2ckl h GLU 48 N 0.00 0.06 0.00 3.23 5.08 -1.03 -3.31 114.58 118.61 2ckl h GLU 48 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ckl h GLU 48 Cb 0.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2ckl h GLU 48 CO 0.00 0.04 -0.07 0.25 -1.00 0.00 0.00 179.01 178.23 2ckl n THR 49 N -4.53 0.96 -3.70 1.13 -2.24 -0.57 -5.03 114.28 100.30 2ckl n THR 49 Ca -0.02 -1.08 -0.14 0.00 -2.27 0.00 0.00 64.05 60.53 2ckl n THR 49 Cb 0.09 0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.59 2ckl n THR 49 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ckl s SER 50 N -1.42 -0.35 -0.19 3.42 0.15 -1.08 -5.02 113.70 109.22 2ckl s SER 50 Ca 0.10 0.38 0.16 0.00 0.70 0.00 0.00 55.95 57.30 2ckl s SER 50 Cb 0.09 0.48 0.58 0.00 -1.71 0.00 0.00 66.02 65.46 2ckl s SER 50 CO 0.01 -0.42 1.48 2.29 1.20 0.00 0.00 173.24 177.80 2ckl n LYS 51 N 1.51 3.30 -4.93 5.44 2.85 -1.26 -4.36 118.16 120.71 2ckl n LYS 51 Ca -0.19 -2.89 -0.28 0.00 -1.05 0.00 0.00 58.31 53.89 2ckl n LYS 51 Cb 0.56 -1.92 -0.15 0.00 -0.65 0.00 0.00 35.03 32.88 2ckl n LYS 51 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2ckl s TYR 52 N -2.78 2.02 0.21 5.58 2.02 -1.26 0.06 117.35 123.20 2ckl s TYR 52 Ca 0.44 -0.38 -0.32 0.00 -0.37 0.00 0.00 57.07 56.44 2ckl s TYR 52 Cb 0.35 -1.25 -0.13 0.00 -0.40 0.00 0.00 41.96 40.54 2ckl s TYR 52 CO 0.10 0.04 1.64 0.00 -1.57 0.00 0.00 175.55 175.77 2ckl h PRO 54 N 6.09 0.00 0.00 0.00 0.11 -1.97 -0.48 132.00 135.74 2ckl h PRO 54 Ca -0.44 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 2ckl h PRO 54 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2ckl h PRO 54 CO 0.90 0.00 -1.20 -0.89 -0.21 0.00 0.00 178.00 176.61 2ckl n ILE 55 N -3.86 1.49 0.67 4.15 5.41 -1.26 -4.73 119.36 121.23 2ckl n ILE 55 Ca 0.04 0.03 0.07 0.00 1.00 0.00 0.00 62.75 63.90 2ckl n ILE 55 Cb 0.44 -2.22 -0.01 0.00 -0.71 0.00 0.00 39.64 37.14 2ckl n ILE 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ckl n ASP 57 N -0.28 -4.09 -4.77 0.00 2.03 -0.19 -4.93 116.55 104.32 2ckl n ASP 57 Ca 0.06 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.97 2ckl n ASP 57 Cb 0.31 -2.05 -0.03 0.00 -0.72 0.00 0.00 41.12 38.63 2ckl n ASP 57 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2ckl s VAL 58 N -1.56 3.15 0.06 5.18 0.11 -1.26 -4.45 120.40 121.63 2ckl s VAL 58 Ca 0.00 1.07 -0.32 0.00 -2.93 0.00 0.00 61.98 59.81 2ckl s VAL 58 Cb 0.00 -3.65 -0.11 0.00 -1.53 0.00 0.00 36.38 31.10 2ckl s VAL 58 CO 0.00 0.19 1.88 1.67 -3.33 0.00 0.00 175.10 175.51 2ckl n GLN 59 N 0.59 2.68 -0.01 1.54 7.27 -1.26 -0.62 117.38 127.56 2ckl n GLN 59 Ca 0.02 0.98 -0.16 0.00 0.07 0.00 0.00 57.00 57.90 2ckl n GLN 59 Cb 0.45 -2.88 -0.11 0.00 2.41 0.00 0.00 30.24 30.11 2ckl n GLN 59 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2ckl h VAL 60 N 5.07 1.49 -2.47 1.69 2.07 -0.72 -3.47 116.25 119.92 2ckl h VAL 60 Ca -0.48 -2.05 -0.06 0.00 0.82 0.00 0.00 66.70 64.93 2ckl h VAL 60 Cb 1.24 2.72 -0.18 0.00 -1.52 0.00 0.00 31.29 33.56 2ckl h VAL 60 CO 0.94 0.58 0.08 -2.28 0.02 0.00 0.00 177.57 176.91 2ckl s HIS 61 N -3.11 -0.51 0.29 1.57 5.65 -1.25 -4.73 115.29 113.20 2ckl s HIS 61 Ca -0.15 0.73 0.05 0.00 0.25 0.00 0.00 55.06 55.94 2ckl s HIS 61 Cb 0.02 0.36 0.71 0.00 -1.18 0.00 0.00 32.58 32.49 2ckl s HIS 61 CO 0.78 -0.61 1.76 -0.22 -0.65 0.00 0.00 174.74 175.80 2ckl h LYS 62 N 2.96 0.65 0.00 2.88 3.64 -1.93 -3.40 116.57 121.37 2ckl h LYS 62 Ca -0.29 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2ckl h LYS 62 Cb 1.18 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2ckl h LYS 62 CO 0.40 0.43 0.00 0.25 -2.27 0.00 0.00 179.45 178.26 2ckl n THR 63 N -4.84 0.00 -3.53 1.00 -2.24 -1.26 -5.02 114.28 98.39 2ckl n THR 63 Ca 0.22 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.73 2ckl n THR 63 Cb 0.57 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.70 2ckl n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ckl n ARG 64 N -0.54 0.77 -0.03 -0.78 1.74 -1.26 -4.99 116.66 111.56 2ckl n ARG 64 Ca 0.00 -3.61 0.19 0.00 -0.77 0.00 0.00 57.85 53.66 2ckl n ARG 64 Cb 0.00 -1.84 0.64 0.00 -1.02 0.00 0.00 32.46 30.24 2ckl n ARG 64 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2ckl h PRO 65 N 5.42 0.10 -0.01 5.56 0.13 -1.91 -0.75 132.00 140.54 2ckl h PRO 65 Ca 0.22 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2ckl h PRO 65 Cb 0.85 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2ckl h PRO 65 CO 0.49 0.07 0.02 -0.07 -0.23 0.00 0.00 178.00 178.28 2ckl h LEU 66 N 0.11 0.00 -1.80 1.56 3.38 -1.94 -0.99 115.31 115.62 2ckl h LEU 66 Ca 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 2ckl h LEU 66 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2ckl h LEU 66 CO -0.03 0.00 -0.15 -0.07 0.09 0.00 0.00 178.44 178.28 2ckl h LEU 67 N 0.00 0.00 -3.33 1.67 3.38 -1.54 -3.23 115.31 112.26 2ckl h LEU 67 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2ckl h LEU 67 Cb 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2ckl h LEU 67 CO -0.00 0.15 0.01 0.59 0.09 0.00 0.00 178.44 179.27 2ckl n ASN 68 N -4.06 3.41 -4.54 -0.43 3.02 -0.38 -4.93 115.26 107.34 2ckl n ASN 68 Ca -0.02 -3.31 -0.27 0.00 -0.03 0.00 0.00 54.58 50.95 2ckl n ASN 68 Cb 0.23 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.71 2ckl n ASN 68 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2ckl s ILE 69 N -3.00 3.04 -0.01 2.41 -4.36 -1.22 -1.45 121.20 116.61 2ckl s ILE 69 Ca 0.44 -1.73 -0.02 0.00 -0.26 0.00 0.00 60.65 59.08 2ckl s ILE 69 Cb 0.37 -2.50 -0.00 0.00 1.25 0.00 0.00 42.46 41.58 2ckl s ILE 69 CO 0.06 -0.12 0.04 -0.13 0.24 0.00 0.00 174.94 175.03 2ckl s ARG 70 N -2.82 0.18 0.34 0.37 1.81 -0.10 -4.94 118.95 113.79 2ckl s ARG 70 Ca 0.24 -0.17 -0.29 0.00 -1.72 0.00 0.00 55.73 53.79 2ckl s ARG 70 Cb -0.09 0.07 -0.11 0.00 -0.45 0.00 0.00 34.95 34.38 2ckl s ARG 70 CO 0.14 -0.03 1.42 -1.12 -0.68 0.00 0.00 175.30 175.03 2ckl s SER 71 N -0.56 6.56 -0.72 0.23 0.01 -1.26 -0.79 113.70 117.17 2ckl s SER 71 Ca -0.06 2.85 0.02 0.00 1.31 0.00 0.00 55.95 60.07 2ckl s SER 71 Cb -0.04 -2.65 0.18 0.00 0.21 0.00 0.00 66.02 63.72 2ckl s SER 71 CO -0.00 -0.72 0.54 -0.62 0.41 0.00 0.00 173.24 172.85 2ckl s ASP 72 N -0.17 5.16 0.23 2.44 -1.08 0.18 -4.85 116.67 118.58 2ckl s ASP 72 Ca 0.53 -3.54 -0.05 0.00 -0.52 0.00 0.00 52.55 48.97 2ckl s ASP 72 Cb -0.43 -1.75 0.24 0.00 -1.46 0.00 0.00 42.92 39.52 2ckl s ASP 72 CO 0.55 -0.18 1.75 0.50 0.52 0.00 0.00 175.17 178.31 2ckl h LYS 73 N 5.99 0.96 -0.28 4.34 3.64 -1.92 -1.31 116.57 127.99 2ckl h LYS 73 Ca 0.09 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2ckl h LYS 73 Cb 0.82 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2ckl h LYS 73 CO 0.75 0.89 0.08 1.15 -2.27 0.00 0.00 179.45 180.05 2ckl h THR 74 N 0.91 1.21 -0.29 1.00 2.02 -1.96 0.81 112.91 116.61 2ckl h THR 74 Ca 0.18 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 2ckl h THR 74 Cb 0.40 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2ckl h THR 74 CO 0.01 0.22 0.08 0.25 0.37 0.00 0.00 175.52 176.46 2ckl h LEU 75 N 0.29 0.42 -0.78 2.58 5.85 -1.90 -2.08 115.31 119.69 2ckl h LEU 75 Ca 0.09 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2ckl h LEU 75 Cb 0.27 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2ckl h LEU 75 CO -0.00 0.52 0.38 -0.61 -0.34 0.00 0.00 178.44 178.40 2ckl h GLN 76 N 0.30 1.11 -0.73 1.25 5.75 -1.04 -1.17 115.11 120.59 2ckl h GLN 76 Ca 0.09 -0.16 0.06 0.00 -0.15 0.00 0.00 58.65 58.50 2ckl h GLN 76 Cb 0.26 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.54 2ckl h GLN 76 CO -0.00 0.86 0.42 -0.44 -2.65 0.00 0.00 178.83 177.02 2ckl h ASP 77 N 1.09 0.63 -0.19 -0.69 3.32 -0.54 -0.64 116.42 119.40 2ckl h ASP 77 Ca 0.27 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 2ckl h ASP 77 Cb 0.10 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2ckl h ASP 77 CO -0.04 0.40 0.12 0.40 -1.72 0.00 0.00 179.24 178.41 2ckl h ILE 78 N 0.77 1.07 -0.00 0.35 1.08 -1.00 -1.42 117.51 118.35 2ckl h ILE 78 Ca 0.33 -0.17 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 2ckl h ILE 78 Cb 0.20 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 2ckl h ILE 78 CO -0.18 0.07 -0.21 0.58 -0.69 0.00 0.00 178.15 177.72 2ckl h VAL 79 N 0.24 0.51 0.00 1.67 2.07 -0.70 0.48 116.25 120.52 2ckl h VAL 79 Ca 0.07 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 2ckl h VAL 79 Cb 0.01 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2ckl h VAL 79 CO -0.01 0.00 -0.28 1.88 0.02 0.00 0.00 177.57 179.18 2ckl h TYR 80 N -0.33 0.00 0.00 1.57 0.05 -1.05 -1.30 116.97 115.91 2ckl h TYR 80 Ca 0.06 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.63 2ckl h TYR 80 Cb 0.41 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 2ckl h TYR 80 CO -0.25 0.28 -0.99 0.87 -1.05 0.00 0.00 178.16 177.02 2ckl h LYS 81 N 0.00 0.01 0.03 4.88 1.57 -0.86 -3.38 116.57 118.81 2ckl h LYS 81 Ca -0.00 -0.01 -0.33 0.00 -1.87 0.00 0.00 60.65 58.44 2ckl h LYS 81 Cb 0.63 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 2ckl h LYS 81 CO 0.04 0.99 -1.93 1.28 -0.57 0.00 0.00 179.45 179.25 2ckl n LEU 82 N -3.37 1.29 -4.48 2.94 4.77 0.13 -4.83 117.00 113.44 2ckl n LEU 82 Ca -0.00 0.27 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 2ckl n LEU 82 Cb 0.93 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.81 2ckl n LEU 82 CO 0.47 0.55 0.43 -0.69 -1.33 0.00 0.00 177.39 176.82 2ckl s VAL 83 N -2.57 4.76 0.15 4.08 1.01 -0.54 -5.00 120.40 122.30 2ckl s VAL 83 Ca -0.12 -0.20 -0.33 0.00 0.00 0.00 0.00 61.98 61.33 2ckl s VAL 83 Cb 0.07 -4.33 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 2ckl s VAL 83 CO 0.80 -0.82 1.63 -2.65 0.00 0.00 0.00 175.10 174.06 2ckl n PRO 84 N 6.46 2.29 0.00 2.72 -0.02 -1.26 -2.19 135.00 143.00 2ckl n PRO 84 Ca -0.04 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2ckl n PRO 84 Cb 0.46 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2ckl n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ckl n GLY 85 N 3.61 2.84 0.06 -1.23 0.00 -1.26 -4.89 105.19 104.31 2ckl n GLY 85 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2ckl n GLY 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ckl h LEU 86 N 0.00 -0.03 0.10 0.99 5.85 -1.77 0.53 115.31 120.98 2ckl h LEU 86 Ca 0.00 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2ckl h LEU 86 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2ckl h LEU 86 CO 0.00 0.16 -0.05 0.15 -0.34 0.00 0.00 178.44 178.36 2ckl h PHE 87 N -0.22 -0.13 -0.62 1.25 3.57 -1.82 -0.41 116.94 118.57 2ckl h PHE 87 Ca -0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2ckl h PHE 87 Cb 0.21 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 2ckl h PHE 87 CO -0.01 0.03 0.28 0.87 -2.23 0.00 0.00 178.31 177.24 2ckl h LYS 88 N -0.26 0.48 -0.02 1.11 1.57 -1.94 -0.31 116.57 117.20 2ckl h LYS 88 Ca -0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2ckl h LYS 88 Cb 0.21 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2ckl h LYS 88 CO 0.02 0.32 -0.10 -0.97 -0.57 0.00 0.00 179.45 178.15 2ckl h ASN 89 N 0.50 -0.31 -0.44 0.86 -0.73 -0.49 -1.27 115.58 113.71 2ckl h ASN 89 Ca 0.30 0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.48 2ckl h ASN 89 Cb 0.32 0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 2ckl h ASN 89 CO -0.26 -0.15 0.08 -0.08 -0.37 0.00 0.00 177.43 176.65 2ckl h GLU 90 N -0.17 0.71 -0.77 6.67 4.57 -0.68 -0.77 114.58 124.14 2ckl h GLU 90 Ca 0.05 -0.19 0.05 0.00 -1.18 0.00 0.00 59.36 58.09 2ckl h GLU 90 Cb 0.23 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 2ckl h GLU 90 CO -0.12 0.74 0.47 0.52 -1.18 0.00 0.00 179.01 179.43 2ckl h MET 91 N 0.58 0.85 -0.49 1.92 2.86 -0.99 -2.00 114.93 117.66 2ckl h MET 91 Ca 0.13 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2ckl h MET 91 Cb 0.36 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2ckl h MET 91 CO 0.01 0.56 0.14 -0.22 1.06 0.00 0.00 176.91 178.46 2ckl h LYS 92 N 0.87 0.77 -0.61 1.72 3.64 -0.65 -2.21 116.57 120.10 2ckl h LYS 92 Ca 0.33 -0.17 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 2ckl h LYS 92 Cb 0.13 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 2ckl h LYS 92 CO -0.16 0.73 0.32 0.00 -2.27 0.00 0.00 179.45 178.07 2ckl h ARG 93 N 0.66 0.57 -0.23 1.90 3.08 -0.87 0.18 114.38 119.68 2ckl h ARG 93 Ca 0.16 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2ckl h ARG 93 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2ckl h ARG 93 CO -0.00 0.38 0.14 0.00 -1.07 0.00 0.00 179.97 179.42 2ckl h ARG 94 N 0.59 0.30 -0.55 0.04 3.08 -1.20 0.05 114.38 116.69 2ckl h ARG 94 Ca 0.27 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 2ckl h ARG 94 Cb 0.19 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2ckl h ARG 94 CO -0.19 0.23 0.28 0.00 -1.07 0.00 0.00 179.97 179.22 2ckl h ARG 95 N 0.29 0.79 -0.70 0.04 3.08 -0.95 -1.81 114.38 115.11 2ckl h ARG 95 Ca 0.08 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2ckl h ARG 95 Cb 0.00 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 2ckl h ARG 95 CO -0.02 0.64 0.36 -0.44 -1.07 0.00 0.00 179.97 179.44 2ckl h ASP 96 N 0.74 0.89 0.14 7.04 3.32 -0.44 -1.61 116.42 126.51 2ckl h ASP 96 Ca 0.19 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.13 2ckl h ASP 96 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2ckl h ASP 96 CO -0.03 0.75 -0.15 0.15 -1.72 0.00 0.00 179.24 178.25 2ckl h PHE 97 N 0.97 -0.39 0.00 4.55 3.57 -0.66 -2.79 116.94 122.18 2ckl h PHE 97 Ca 0.24 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2ckl h PHE 97 Cb 0.08 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 2ckl h PHE 97 CO 0.00 -0.23 -0.15 1.88 -2.23 0.00 0.00 178.31 177.58 2ckl h TYR 98 N -0.32 0.00 -0.01 0.41 0.05 -1.19 -0.18 116.97 115.73 2ckl h TYR 98 Ca 0.01 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.60 2ckl h TYR 98 Cb 0.32 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 2ckl h TYR 98 CO -0.14 0.15 -0.83 0.00 -1.05 0.00 0.00 178.16 176.29 2ckl h ALA 99 N 1.85 0.59 0.00 3.88 0.00 -1.10 -3.06 119.26 121.42 2ckl h ALA 99 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2ckl h ALA 99 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ckl h ALA 99 CO 0.02 0.90 -0.57 0.00 0.00 0.00 0.00 179.25 179.60 2ckl h ALA 100 N 1.04 0.67 -2.25 0.00 0.00 -1.21 -3.41 119.26 114.10 2ckl h ALA 100 Ca -0.03 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.28 2ckl h ALA 100 Cb 1.44 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.81 2ckl h ALA 100 CO 0.12 0.00 -0.69 0.72 0.00 0.00 0.00 179.25 179.40 2ckl n HIS 101 N -2.45 2.76 -0.89 0.00 -0.00 -0.11 -5.11 115.22 109.41 2ckl n HIS 101 Ca 0.03 -4.04 -0.31 0.00 -0.00 0.00 0.00 57.72 53.40 2ckl n HIS 101 Cb 0.49 -0.51 0.15 0.00 -0.00 0.00 0.00 29.99 30.12 2ckl n HIS 101 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2ckl s PRO 102 N -2.08 1.20 0.00 -0.41 0.04 -1.20 -4.70 135.00 127.84 2ckl s PRO 102 Ca 0.37 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.73 2ckl s PRO 102 Cb 0.13 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.92 2ckl s PRO 102 CO -0.05 -2.42 0.58 0.43 0.04 0.00 0.00 177.00 175.58