#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2akl h VAL 2 N 0.00 0.00 -3.36 3.17 3.04 -2.08 -3.36 116.25 113.67 2akl h VAL 2 Ca 0.00 -0.43 -0.75 0.00 -1.01 0.00 0.00 66.70 64.51 2akl h VAL 2 Cb 0.00 1.33 -0.27 0.00 -2.01 0.00 0.00 31.29 30.34 2akl h VAL 2 CO 0.00 0.00 -0.22 -0.44 -1.01 0.00 0.00 177.57 175.90 2akl s SER 3 N -5.11 6.08 -0.12 3.17 0.01 -1.26 -4.82 113.70 111.65 2akl s SER 3 Ca 0.03 -2.12 0.14 0.00 1.31 0.00 0.00 55.95 55.32 2akl s SER 3 Cb 0.09 -2.12 0.32 0.00 0.21 0.00 0.00 66.02 64.52 2akl s SER 3 CO 0.50 -0.70 1.16 0.35 0.41 0.00 0.00 173.24 174.95 2akl n THR 4 N 4.71 1.42 -1.99 1.44 -2.24 -1.26 -5.07 114.28 111.28 2akl n THR 4 Ca -0.04 -2.08 -0.32 0.00 -2.27 0.00 0.00 64.05 59.34 2akl n THR 4 Cb 0.42 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2akl n THR 4 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2akl s LEU 5 N -2.11 3.36 0.64 3.22 1.43 -1.26 -5.05 118.68 118.91 2akl s LEU 5 Ca 0.30 1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 54.80 2akl s LEU 5 Cb 0.29 -4.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.01 2akl s LEU 5 CO -0.04 -0.92 1.08 -2.16 0.23 0.00 0.00 176.35 174.53 2akl s PRO 6 N -4.71 3.00 0.71 1.29 0.04 -1.26 -5.05 135.00 129.02 2akl s PRO 6 Ca 0.58 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 2akl s PRO 6 Cb -0.12 -1.99 0.18 0.00 0.04 0.00 0.00 34.50 32.61 2akl s PRO 6 CO 0.46 -1.07 0.58 -2.30 0.04 0.00 0.00 177.00 174.71 2akl n PRO 7 N -2.43 -2.48 -3.52 0.56 -0.02 -1.26 -4.91 135.00 120.93 2akl n PRO 7 Ca 0.09 -0.94 -0.38 0.00 -2.02 0.00 0.00 63.50 60.26 2akl n PRO 7 Cb 0.53 -0.94 -0.09 0.00 -0.02 0.00 0.00 33.50 32.98 2akl n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2akl n PRO 9 N 4.72 0.42 -0.01 0.00 -0.04 -1.26 0.40 135.00 139.23 2akl n PRO 9 Ca -0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.33 2akl n PRO 9 Cb 0.51 -1.02 -0.01 0.00 -0.04 0.00 0.00 33.50 32.95 2akl n PRO 9 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2akl n GLN 10 N -0.43 0.04 -0.07 0.54 6.02 -1.26 -4.91 117.38 117.31 2akl n GLN 10 Ca 0.00 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.84 2akl n GLN 10 Cb 0.01 -1.00 -0.05 0.00 1.02 0.00 0.00 30.24 30.22 2akl n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2akl n ASN 12 N -3.72 -0.91 0.00 0.00 5.15 0.16 -4.94 115.26 111.01 2akl n ASN 12 Ca -0.28 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 2akl n ASN 12 Cb 0.68 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 2akl n ASN 12 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2akl n SER 13 N -0.10 0.00 0.00 1.20 7.64 -1.26 -4.73 113.62 116.38 2akl n SER 13 Ca 0.00 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2akl n SER 13 Cb 0.05 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2akl n SER 13 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2akl n GLU 14 N -0.78 0.00 -0.05 1.43 0.28 -1.26 -5.02 120.64 115.24 2akl n GLU 14 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2akl n GLU 14 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2akl n GLU 14 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2akl n TYR 15 N 0.00 0.00 -3.51 -1.84 4.01 -1.26 -4.79 117.16 109.77 2akl n TYR 15 Ca 0.00 -0.53 -0.38 0.00 -0.16 0.00 0.00 57.90 56.83 2akl n TYR 15 Cb 0.00 -0.27 -0.06 0.00 -0.31 0.00 0.00 39.34 38.70 2akl n TYR 15 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2akl s THR 16 N 0.04 5.15 0.21 -0.72 2.01 -1.26 -4.07 115.64 117.00 2akl s THR 16 Ca 0.00 0.75 -0.01 0.00 0.31 0.00 0.00 61.69 62.74 2akl s THR 16 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2akl s THR 16 CO 0.00 0.50 0.12 -0.72 -0.69 0.00 0.00 174.62 173.83 2akl s TYR 17 N -0.46 1.22 -0.23 4.92 1.13 -1.13 -4.96 117.35 117.84 2akl s TYR 17 Ca 0.22 -1.34 -0.06 0.00 -1.41 0.00 0.00 57.07 54.47 2akl s TYR 17 Cb -0.15 -0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 40.07 2akl s TYR 17 CO 0.10 -0.58 0.04 -1.83 -2.51 0.00 0.00 175.55 170.77 2akl s GLU 18 N -4.14 3.64 -0.84 -3.49 -1.05 -1.26 -1.17 118.70 110.39 2akl s GLU 18 Ca 0.38 -0.49 0.01 0.00 -0.15 0.00 0.00 54.97 54.72 2akl s GLU 18 Cb 0.07 -3.22 0.27 0.00 -0.44 0.00 0.00 34.13 30.81 2akl s GLU 18 CO 0.12 -0.10 1.02 -3.47 0.95 0.00 0.00 175.26 173.78 2akl n ASP 19 N 4.62 4.80 0.00 0.83 -0.08 -1.13 -4.97 116.55 120.62 2akl n ASP 19 Ca -0.17 -3.39 0.00 0.00 -1.51 0.00 0.00 54.79 49.73 2akl n ASP 19 Cb 0.52 -0.95 0.00 0.00 2.34 0.00 0.00 41.12 43.03 2akl n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2akl n GLY 20 N 1.25 0.97 0.98 0.27 0.00 -1.26 -4.34 105.19 103.06 2akl n GLY 20 Ca 0.27 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.51 2akl n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akl n ALA 21 N 2.14 3.04 -3.86 4.61 0.00 -1.26 -4.99 120.51 120.19 2akl n ALA 21 Ca 0.00 -2.21 -0.06 0.00 0.00 0.00 0.00 53.44 51.17 2akl n ALA 21 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2akl n ALA 21 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2akl n LEU 22 N -0.33 0.00 -4.54 0.00 -0.00 -1.26 -4.79 117.00 106.07 2akl n LEU 22 Ca 0.21 -2.60 -0.34 0.00 -0.00 0.00 0.00 56.01 53.28 2akl n LEU 22 Cb 0.90 3.20 -0.12 0.00 -0.00 0.00 0.00 43.42 47.40 2akl n LEU 22 CO 0.17 -0.75 -0.36 -0.76 -0.00 0.00 0.00 177.39 175.69 2akl s LEU 23 N 0.00 3.26 -0.15 1.47 2.01 -0.01 -2.85 118.68 122.41 2akl s LEU 23 Ca 0.21 -0.07 -0.00 0.00 0.01 0.00 0.00 54.13 54.28 2akl s LEU 23 Cb -0.03 -1.76 -0.01 0.00 0.01 0.00 0.00 46.19 44.40 2akl s LEU 23 CO 0.15 0.25 -0.14 -0.69 1.01 0.00 0.00 176.35 176.93 2akl s VAL 24 N -0.13 2.87 -0.45 -1.59 1.01 -0.32 -1.06 120.40 120.73 2akl s VAL 24 Ca 0.02 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 2akl s VAL 24 Cb -0.13 -2.21 0.09 0.00 0.00 0.00 0.00 36.38 34.12 2akl s VAL 24 CO 0.03 0.51 0.34 0.00 0.00 0.00 0.00 175.10 175.97 2akl n PRO 26 N 5.04 0.07 0.20 0.00 -0.04 -1.26 -1.59 135.00 137.41 2akl n PRO 26 Ca -0.11 0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 2akl n PRO 26 Cb 0.43 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 2akl n PRO 26 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2akl h GLU 27 N 0.00 -0.53 -0.67 0.54 4.81 -1.90 -3.33 114.58 113.51 2akl h GLU 27 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2akl h GLU 27 Cb 0.26 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2akl h GLU 27 CO 0.00 -0.35 0.00 0.00 -0.73 0.00 0.00 179.01 177.93 2akl n ALA 29 N 1.51 -1.74 -3.49 0.00 0.00 -0.62 -5.01 120.51 111.16 2akl n ALA 29 Ca 0.23 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 2akl n ALA 29 Cb 0.58 -3.62 -0.11 0.00 0.00 0.00 0.00 19.45 16.30 2akl n ALA 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2akl s HIS 30 N -3.35 -0.49 0.32 0.00 5.04 -0.94 -5.03 115.29 110.84 2akl s HIS 30 Ca 0.23 1.11 0.09 0.00 -1.54 0.00 0.00 55.06 54.95 2akl s HIS 30 Cb -0.10 0.18 -0.05 0.00 0.04 0.00 0.00 32.58 32.65 2akl s HIS 30 CO 0.73 -0.26 0.03 -1.83 -2.34 0.00 0.00 174.74 171.07 2akl s GLU 31 N 0.79 2.19 0.12 2.88 -1.05 -1.26 -2.01 118.70 120.35 2akl s GLU 31 Ca -0.05 -1.62 -0.25 0.00 -0.15 0.00 0.00 54.97 52.91 2akl s GLU 31 Cb -0.06 -2.04 0.07 0.00 -0.44 0.00 0.00 34.13 31.67 2akl s GLU 31 CO -0.06 0.19 0.75 1.67 0.95 0.00 0.00 175.26 178.77 2akl s TRP 32 N -2.45 -0.38 -0.06 4.83 1.48 -0.22 -4.97 118.94 117.17 2akl s TRP 32 Ca 0.34 0.14 0.02 0.00 -1.06 0.00 0.00 56.10 55.55 2akl s TRP 32 Cb -0.02 0.58 -0.03 0.00 -1.16 0.00 0.00 33.47 32.84 2akl s TRP 32 CO 0.20 -0.80 -0.10 0.45 -4.06 0.00 0.00 176.95 172.63 2akl s SER 33 N -2.71 4.36 0.12 -2.66 0.15 -1.26 -0.83 113.70 110.86 2akl s SER 33 Ca 0.05 -0.11 -0.20 0.00 0.70 0.00 0.00 55.95 56.40 2akl s SER 33 Cb -0.02 -1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.22 2akl s SER 33 CO -0.07 0.35 1.74 1.55 1.20 0.00 0.00 173.24 178.01 2akl h PRO 34 N 5.32 0.14 0.00 5.44 0.13 -1.95 -2.67 132.00 138.41 2akl h PRO 34 Ca -0.47 -0.01 -0.36 0.00 -0.87 0.00 0.00 66.00 64.29 2akl h PRO 34 Cb 1.16 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 2akl h PRO 34 CO 0.51 0.09 -2.36 0.27 -0.23 0.00 0.00 178.00 176.28 2akl n ASN 35 N -5.06 1.73 0.07 1.44 6.94 -1.26 -4.46 115.26 114.66 2akl n ASN 35 Ca -0.03 -0.10 0.09 0.00 -0.02 0.00 0.00 54.58 54.52 2akl n ASN 35 Cb 0.08 -0.10 0.39 0.00 -2.36 0.00 0.00 39.78 37.79 2akl n ASN 35 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2akl n GLU 36 N -3.10 0.09 0.03 -3.83 -0.58 -1.25 -1.17 120.64 110.83 2akl n GLU 36 Ca -0.40 0.36 -0.05 0.00 -0.42 0.00 0.00 57.16 56.64 2akl n GLU 36 Cb 0.99 -1.69 0.14 0.00 -0.57 0.00 0.00 31.44 30.32 2akl n GLU 36 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2akl h ALA 37 N 2.35 0.94 0.08 0.62 0.00 -1.69 0.47 119.26 122.02 2akl h ALA 37 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 54.91 54.24 2akl h ALA 37 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2akl h ALA 37 CO 0.00 0.63 -1.23 0.00 0.00 0.00 0.00 179.25 178.65 2akl h ALA 38 N 1.19 0.18 0.01 0.00 0.00 -1.41 -3.39 119.26 115.84 2akl h ALA 38 Ca 0.03 -1.05 -0.23 0.00 0.00 0.00 0.00 54.91 53.66 2akl h ALA 38 Cb 0.88 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2akl h ALA 38 CO 0.07 0.72 -0.96 1.79 0.00 0.00 0.00 179.25 180.87 2akl h THR 39 N -0.52 1.40 -3.20 0.00 1.35 -1.36 -3.50 112.91 107.08 2akl h THR 39 Ca -0.28 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 2akl h THR 39 Cb 1.58 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 2akl h THR 39 CO -0.00 0.74 -0.49 0.00 -0.25 0.00 0.00 175.52 175.52 2akl n ALA 40 N -2.54 -2.51 -1.64 6.62 0.00 0.15 -4.85 120.51 115.74 2akl n ALA 40 Ca -0.07 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 2akl n ALA 40 Cb 0.84 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 2akl n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2akl s SER 41 N -0.29 5.62 0.00 0.00 0.01 -1.26 -4.87 113.70 112.91 2akl s SER 41 Ca 0.00 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.23 2akl s SER 41 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2akl s SER 41 CO 0.00 -1.82 0.00 -0.67 0.41 0.00 0.00 173.24 171.16 2akl n ASP 42 N 11.01 0.00 -0.34 2.44 2.03 -1.26 -5.03 116.55 125.40 2akl n ASP 42 Ca 0.28 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.58 2akl n ASP 42 Cb 0.44 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.99 2akl n ASP 42 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2akl h ASP 43 N 0.00 1.08 0.00 1.67 3.58 -2.01 -3.46 116.42 117.27 2akl h ASP 43 Ca 0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2akl h ASP 43 Cb 0.00 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.78 2akl h ASP 43 CO 0.00 0.78 0.00 0.61 -2.88 0.00 0.00 179.24 177.75 2akl n GLY 44 N -1.39 0.84 3.56 -0.78 0.00 -1.26 -5.04 105.19 101.12 2akl n GLY 44 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2akl n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2akl s LYS 45 N 0.32 3.14 0.12 1.61 -0.14 -1.26 -4.94 119.74 118.59 2akl s LYS 45 Ca 0.00 -0.46 0.05 0.00 -1.36 0.00 0.00 55.97 54.20 2akl s LYS 45 Cb 0.00 -4.83 -0.04 0.00 -1.68 0.00 0.00 37.83 31.28 2akl s LYS 45 CO 0.00 -2.49 -0.12 0.08 -0.76 0.00 0.00 175.35 172.06 2akl s VAL 46 N 6.76 1.19 0.05 3.17 1.01 -1.26 -4.95 120.40 126.36 2akl s VAL 46 Ca 0.50 -1.75 -0.23 0.00 0.00 0.00 0.00 61.98 60.50 2akl s VAL 46 Cb -0.05 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 2akl s VAL 46 CO 0.03 -0.51 0.70 -0.63 0.00 0.00 0.00 175.10 174.69 2akl s ILE 47 N -2.43 4.74 0.54 2.22 -1.09 -1.26 -4.81 121.20 119.12 2akl s ILE 47 Ca 0.09 1.50 0.08 0.00 -2.23 0.00 0.00 60.65 60.09 2akl s ILE 47 Cb -0.03 -4.05 0.05 0.00 -1.58 0.00 0.00 42.46 36.85 2akl s ILE 47 CO 0.02 0.41 0.59 -0.54 -1.23 0.00 0.00 174.94 174.19 2akl s LYS 48 N -0.28 2.33 0.41 2.79 3.01 -1.26 -2.01 119.74 124.73 2akl s LYS 48 Ca 0.35 -1.76 0.07 0.00 -1.01 0.00 0.00 55.97 53.62 2akl s LYS 48 Cb -0.20 -2.41 -0.05 0.00 -1.01 0.00 0.00 37.83 34.15 2akl s LYS 48 CO 0.21 -0.67 0.17 -0.51 0.51 0.00 0.00 175.35 175.05 2akl s ASP 49 N -4.45 4.38 0.00 2.83 1.01 0.20 -4.62 116.67 116.02 2akl s ASP 49 Ca 0.49 -1.10 0.16 0.00 0.71 0.00 0.00 52.55 52.81 2akl s ASP 49 Cb -0.04 -0.47 0.78 0.00 1.01 0.00 0.00 42.92 44.20 2akl s ASP 49 CO 0.31 -0.54 1.46 -1.54 0.21 0.00 0.00 175.17 175.07 2akl n SER 50 N -1.22 0.00 0.05 0.27 3.41 -0.24 -1.61 113.62 114.28 2akl n SER 50 Ca -0.01 0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.83 2akl n SER 50 Cb 0.65 -0.31 0.27 0.00 -0.26 0.00 0.00 64.21 64.55 2akl n SER 50 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2akl n VAL 51 N -1.31 0.30 -0.36 -3.33 0.31 -1.26 -4.91 118.33 107.77 2akl n VAL 51 Ca 0.07 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2akl n VAL 51 Cb 0.13 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 2akl n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2akl n GLY 52 N 1.38 0.76 3.99 2.92 0.00 -0.63 -5.06 105.19 108.53 2akl n GLY 52 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2akl n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2akl s ASN 53 N -2.43 5.64 0.02 1.61 4.22 -1.26 -4.88 114.94 117.86 2akl s ASN 53 Ca 0.00 -0.16 0.05 0.00 -2.14 0.00 0.00 52.86 50.62 2akl s ASN 53 Cb 0.00 -0.96 -0.03 0.00 1.28 0.00 0.00 41.25 41.54 2akl s ASN 53 CO 0.00 -0.80 -0.13 -0.69 -2.04 0.00 0.00 177.10 173.44 2akl s VAL 54 N -2.46 3.14 0.48 3.54 1.01 -1.26 -0.63 120.40 124.22 2akl s VAL 54 Ca 0.53 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.58 2akl s VAL 54 Cb -0.10 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.97 2akl s VAL 54 CO 0.35 0.37 0.62 -0.76 0.00 0.00 0.00 175.10 175.67 2akl s LEU 55 N -1.41 3.41 0.05 3.92 1.43 -0.85 -4.97 118.68 120.26 2akl s LEU 55 Ca 0.16 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.70 2akl s LEU 55 Cb -0.11 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2akl s LEU 55 CO 0.06 -0.96 -0.20 -1.58 0.23 0.00 0.00 176.35 173.90 2akl s GLN 56 N -4.43 1.33 -0.71 1.70 2.00 -1.26 -4.79 119.66 113.50 2akl s GLN 56 Ca 0.56 -0.97 -0.26 0.00 -2.00 0.00 0.00 55.36 52.69 2akl s GLN 56 Cb -0.08 -1.47 -0.02 0.00 0.80 0.00 0.00 33.01 32.25 2akl s GLN 56 CO 0.34 0.37 1.81 0.34 -0.50 0.00 0.00 175.29 177.65 2akl s ASP 57 N -1.29 5.38 0.00 6.67 -1.08 -1.26 -0.87 116.67 124.21 2akl s ASP 57 Ca 0.07 -0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 2akl s ASP 57 Cb -0.09 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 2akl s ASP 57 CO 0.02 -2.38 0.00 0.61 0.52 0.00 0.00 175.17 173.94 2akl n GLY 58 N 6.01 1.09 3.68 2.66 0.00 -0.01 -4.93 105.19 113.69 2akl n GLY 58 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2akl n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2akl s ASP 59 N -1.07 2.97 -0.12 1.61 2.15 -0.05 -2.78 116.67 119.37 2akl s ASP 59 Ca 0.00 1.43 -0.04 0.00 0.43 0.00 0.00 52.55 54.36 2akl s ASP 59 Cb 0.00 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 40.48 2akl s ASP 59 CO 0.00 -2.95 0.04 -0.89 -0.17 0.00 0.00 175.17 171.20 2akl s THR 60 N -2.89 4.64 0.39 1.71 2.01 -1.26 -0.21 115.64 120.03 2akl s THR 60 Ca 0.65 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.58 2akl s THR 60 Cb -0.19 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.25 2akl s THR 60 CO 0.58 0.56 0.04 0.27 -0.69 0.00 0.00 174.62 175.38 2akl s ILE 61 N -0.48 1.48 -0.17 1.82 -5.25 0.13 -1.08 121.20 117.65 2akl s ILE 61 Ca 0.09 -2.00 -0.07 0.00 -0.99 0.00 0.00 60.65 57.69 2akl s ILE 61 Cb -0.12 -2.76 0.07 0.00 2.95 0.00 0.00 42.46 42.61 2akl s ILE 61 CO 0.02 0.00 0.36 -0.89 -1.79 0.00 0.00 174.94 172.64 2akl s THR 62 N -2.98 -0.39 0.09 8.37 2.01 0.14 -2.02 115.64 120.86 2akl s THR 62 Ca 0.31 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.17 2akl s THR 62 Cb 0.08 -0.57 -0.08 0.00 0.01 0.00 0.00 72.50 71.93 2akl s THR 62 CO 0.15 0.07 1.57 0.54 -0.69 0.00 0.00 174.62 176.26 2akl s VAL 63 N 2.15 3.03 -1.32 3.82 0.11 -1.15 -0.66 120.40 126.38 2akl s VAL 63 Ca -0.04 0.59 0.17 0.00 -2.93 0.00 0.00 61.98 59.78 2akl s VAL 63 Cb -0.11 -3.38 0.65 0.00 -1.53 0.00 0.00 36.38 32.00 2akl s VAL 63 CO -0.11 0.02 1.54 2.30 -3.33 0.00 0.00 175.10 175.51 2akl n ILE 64 N 4.44 1.53 -4.05 7.04 -0.00 -0.90 0.23 119.36 127.64 2akl n ILE 64 Ca 0.15 -1.03 -0.09 0.00 -0.00 0.00 0.00 62.75 61.77 2akl n ILE 64 Cb 0.41 0.14 -0.09 0.00 -0.00 0.00 0.00 39.64 40.10 2akl n ILE 64 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2akl s LYS 65 N -1.71 1.02 -0.31 6.28 1.02 -1.26 -4.71 119.74 120.07 2akl s LYS 65 Ca 0.46 -1.30 -0.24 0.00 0.02 0.00 0.00 55.97 54.91 2akl s LYS 65 Cb 0.29 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.91 2akl s LYS 65 CO 0.24 -0.33 0.83 0.16 -0.92 0.00 0.00 175.35 175.32 2akl s ASP 66 N -3.00 6.70 0.05 2.83 -4.77 -1.26 -2.68 116.67 114.54 2akl s ASP 66 Ca 0.20 0.72 0.03 0.00 -3.30 0.00 0.00 52.55 50.20 2akl s ASP 66 Cb 0.05 -2.43 -0.03 0.00 -1.09 0.00 0.00 42.92 39.43 2akl s ASP 66 CO 0.00 -0.65 -0.09 -0.76 0.70 0.00 0.00 175.17 174.37 2akl s LEU 67 N 3.04 2.28 0.72 2.11 1.02 0.15 -5.02 118.68 122.98 2akl s LEU 67 Ca 0.34 -0.59 -0.00 0.00 0.02 0.00 0.00 54.13 53.89 2akl s LEU 67 Cb -0.14 -0.24 0.13 0.00 0.02 0.00 0.00 46.19 45.96 2akl s LEU 67 CO 0.13 -0.19 0.99 -1.59 0.02 0.00 0.00 176.35 175.71 2akl s LYS 68 N -1.76 1.66 -0.11 1.70 -2.85 -1.26 0.41 119.74 117.53 2akl s LYS 68 Ca -0.07 -1.17 0.04 0.00 -1.00 0.00 0.00 55.97 53.77 2akl s LYS 68 Cb -0.09 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 33.34 2akl s LYS 68 CO 0.01 -1.46 -0.24 0.08 0.10 0.00 0.00 175.35 173.84 2akl s VAL 69 N -3.13 2.05 -0.32 1.79 1.01 -1.25 -4.56 120.40 115.99 2akl s VAL 69 Ca 0.67 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 2akl s VAL 69 Cb -0.05 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 2akl s VAL 69 CO 0.44 0.56 2.26 1.17 0.00 0.00 0.00 175.10 179.53 2akl n LYS 70 N 3.62 1.49 -0.80 2.72 3.00 -1.26 -2.33 118.16 124.61 2akl n LYS 70 Ca -0.19 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 2akl n LYS 70 Cb 0.53 -2.97 0.00 0.00 0.00 0.00 0.00 35.03 32.58 2akl n LYS 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2akl n GLY 71 N 6.08 0.29 3.98 3.14 0.00 -1.26 -4.95 105.19 112.47 2akl n GLY 71 Ca 0.36 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.19 2akl n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2akl s SER 72 N -2.22 5.77 0.00 1.61 0.01 -0.98 -5.00 113.70 112.89 2akl s SER 72 Ca 0.00 -0.31 0.29 0.00 1.31 0.00 0.00 55.95 57.24 2akl s SER 72 Cb 0.00 -1.02 1.25 0.00 0.21 0.00 0.00 66.02 66.46 2akl s SER 72 CO 0.00 -0.52 1.87 -1.54 0.41 0.00 0.00 173.24 173.46 2akl n SER 73 N -1.66 0.55 -4.77 2.44 3.41 -1.26 -4.79 113.62 107.54 2akl n SER 73 Ca 0.02 -0.72 -0.28 0.00 -0.26 0.00 0.00 58.87 57.63 2akl n SER 73 Cb 0.59 -0.05 0.10 0.00 -0.26 0.00 0.00 64.21 64.59 2akl n SER 73 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2akl s LEU 74 N -2.38 2.64 -0.28 1.04 2.96 -1.26 -5.08 118.68 116.31 2akl s LEU 74 Ca 0.31 0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 54.69 2akl s LEU 74 Cb 0.20 -3.01 0.12 0.00 0.50 0.00 0.00 46.19 44.00 2akl s LEU 74 CO 0.45 -1.97 0.62 -0.69 -1.32 0.00 0.00 176.35 173.44 2akl s VAL 75 N -3.53 -0.86 -0.71 1.68 1.01 -1.26 -3.86 120.40 112.87 2akl s VAL 75 Ca 0.64 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 2akl s VAL 75 Cb -0.09 -0.95 0.09 0.00 0.00 0.00 0.00 36.38 35.43 2akl s VAL 75 CO 0.48 0.01 0.96 -0.69 0.00 0.00 0.00 175.10 175.86 2akl s VAL 76 N 2.74 4.51 0.01 2.92 1.01 0.17 -4.96 120.40 126.80 2akl s VAL 76 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2akl s VAL 76 Cb -0.11 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.56 2akl s VAL 76 CO -0.18 -1.41 -0.00 -1.59 0.00 0.00 0.00 175.10 171.91 2akl s LYS 77 N 3.47 2.73 -0.82 2.72 0.00 -1.26 0.30 119.74 126.88 2akl s LYS 77 Ca 0.23 -0.65 -0.26 0.00 0.00 0.00 0.00 55.97 55.28 2akl s LYS 77 Cb -0.15 -2.64 -0.18 0.00 0.00 0.00 0.00 37.83 34.86 2akl s LYS 77 CO 0.05 0.61 2.52 1.55 0.00 0.00 0.00 175.35 180.07 2akl n VAL 78 N 1.28 -0.03 0.00 1.79 3.14 -1.09 -0.06 118.33 123.36 2akl n VAL 78 Ca -0.14 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 2akl n VAL 78 Cb 0.53 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 2akl n VAL 78 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2akl n GLY 79 N 6.24 0.04 3.57 7.55 0.00 0.14 -4.92 105.19 117.82 2akl n GLY 79 Ca 0.56 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.18 2akl n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2akl s THR 80 N -0.95 3.12 -0.24 2.61 2.01 0.91 -4.85 115.64 118.25 2akl s THR 80 Ca 0.00 0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.90 2akl s THR 80 Cb 0.00 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 2akl s THR 80 CO 0.00 -0.18 0.64 -0.75 -0.69 0.00 0.00 174.62 173.64 2akl s LYS 81 N 7.07 4.14 -0.17 4.92 2.36 -1.26 -2.93 119.74 133.86 2akl s LYS 81 Ca 0.92 0.58 -0.01 0.00 -2.55 0.00 0.00 55.97 54.91 2akl s LYS 81 Cb -0.23 -3.63 0.05 0.00 -1.05 0.00 0.00 37.83 32.97 2akl s LYS 81 CO 0.30 -0.38 -0.01 0.08 1.55 0.00 0.00 175.35 176.89 2akl s VAL 82 N 2.39 0.81 0.13 4.02 1.01 -0.86 -5.00 120.40 122.90 2akl s VAL 82 Ca 0.27 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2akl s VAL 82 Cb -0.16 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2akl s VAL 82 CO 0.09 -0.01 0.26 -1.59 0.00 0.00 0.00 175.10 173.85 2akl s LYS 83 N 1.75 3.39 -0.99 2.72 -2.85 -1.26 -0.70 119.74 121.80 2akl s LYS 83 Ca 0.00 -0.60 -0.02 0.00 -1.00 0.00 0.00 55.97 54.36 2akl s LYS 83 Cb -0.16 -2.95 -0.02 0.00 -2.06 0.00 0.00 37.83 32.64 2akl s LYS 83 CO -0.07 0.53 0.84 0.09 0.10 0.00 0.00 175.35 176.84 2akl n ASN 84 N -0.38 -3.32 -4.02 0.03 3.02 0.71 -4.77 115.26 106.54 2akl n ASN 84 Ca -0.07 -0.56 -0.29 0.00 -0.03 0.00 0.00 54.58 53.63 2akl n ASN 84 Cb 0.53 -4.52 0.25 0.00 -0.61 0.00 0.00 39.78 35.44 2akl n ASN 84 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2akl s ILE 85 N -3.32 1.65 -0.10 2.41 -4.36 -0.66 -4.56 121.20 112.27 2akl s ILE 85 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.52 2akl s ILE 85 Cb -0.02 -2.23 0.02 0.00 1.25 0.00 0.00 42.46 41.49 2akl s ILE 85 CO 0.63 0.00 -0.09 -0.60 0.24 0.00 0.00 174.94 175.12 2akl s ARG 86 N -4.95 1.59 -0.37 0.37 6.06 0.26 -0.83 118.95 121.08 2akl s ARG 86 Ca 0.69 -0.31 -0.29 0.00 -2.50 0.00 0.00 55.73 53.32 2akl s ARG 86 Cb -0.17 -1.54 0.02 0.00 0.06 0.00 0.00 34.95 33.32 2akl s ARG 86 CO 0.59 -0.18 1.20 -0.51 -2.50 0.00 0.00 175.30 173.90 2akl s LEU 87 N 1.39 3.79 0.72 -0.88 1.43 -1.26 -0.59 118.68 123.28 2akl s LEU 87 Ca -0.01 0.89 -0.02 0.00 -1.03 0.00 0.00 54.13 53.97 2akl s LEU 87 Cb -0.13 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.66 2akl s LEU 87 CO -0.05 -1.11 0.99 -0.69 0.23 0.00 0.00 176.35 175.72 2akl s VAL 88 N 4.31 2.18 -1.08 -1.59 1.01 -1.10 -4.96 120.40 119.17 2akl s VAL 88 Ca 0.51 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 2akl s VAL 88 Cb -0.12 -2.63 0.10 0.00 0.00 0.00 0.00 36.38 33.73 2akl s VAL 88 CO 0.24 0.00 1.39 -0.62 0.00 0.00 0.00 175.10 176.12 2akl s ASP 89 N -4.71 6.72 0.00 3.32 -1.08 -1.26 -4.80 116.67 114.86 2akl s ASP 89 Ca 0.66 -2.14 0.00 0.00 -0.52 0.00 0.00 52.55 50.55 2akl s ASP 89 Cb -0.06 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2akl s ASP 89 CO 0.44 -1.15 0.00 0.61 0.52 0.00 0.00 175.17 175.60 2akl n GLY 90 N 5.60 -1.36 0.01 2.66 0.00 -1.26 -4.99 105.19 105.85 2akl n GLY 90 Ca 0.34 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.48 2akl n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2akl n ASP 91 N 0.88 0.67 -2.79 1.61 2.03 -1.26 -4.55 116.55 113.13 2akl n ASP 91 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 2akl n ASP 91 Cb 0.00 1.81 0.02 0.00 -0.72 0.00 0.00 41.12 42.24 2akl n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2akl n HIS 92 N -2.19 3.14 -3.32 -0.67 1.44 -1.26 -4.14 115.22 108.23 2akl n HIS 92 Ca -0.05 -2.62 -0.13 0.00 -2.01 0.00 0.00 57.72 52.91 2akl n HIS 92 Cb 0.53 -0.80 -0.06 0.00 0.12 0.00 0.00 29.99 29.78 2akl n HIS 92 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2akl s ASP 93 N -1.96 0.52 -0.30 4.39 1.01 -1.26 -4.54 116.67 114.53 2akl s ASP 93 Ca 0.50 -1.44 -0.05 0.00 0.71 0.00 0.00 52.55 52.26 2akl s ASP 93 Cb 0.42 0.88 0.02 0.00 1.01 0.00 0.00 42.92 45.25 2akl s ASP 93 CO -0.33 -0.23 0.06 -0.63 0.21 0.00 0.00 175.17 174.24 2akl s ILE 94 N 1.47 3.64 -0.04 0.77 1.09 -1.17 -2.70 121.20 124.26 2akl s ILE 94 Ca 0.17 -0.93 -0.13 0.00 -1.10 0.00 0.00 60.65 58.66 2akl s ILE 94 Cb -0.12 -2.94 -0.05 0.00 -1.06 0.00 0.00 42.46 38.28 2akl s ILE 94 CO -0.04 0.01 0.34 -0.62 -0.10 0.00 0.00 174.94 174.54 2akl s ASP 95 N 1.42 6.68 0.06 3.58 -1.08 0.24 -1.38 116.67 126.20 2akl s ASP 95 Ca 0.00 0.81 -0.10 0.00 -0.52 0.00 0.00 52.55 52.75 2akl s ASP 95 Cb -0.18 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 2akl s ASP 95 CO 0.01 0.32 0.21 0.00 0.52 0.00 0.00 175.17 176.23 2akl s LYS 97 N -2.99 3.24 -0.26 0.00 2.36 -1.26 -0.04 119.74 120.79 2akl s LYS 97 Ca -0.02 -0.77 0.03 0.00 -2.55 0.00 0.00 55.97 52.66 2akl s LYS 97 Cb 0.01 -2.49 0.06 0.00 -1.05 0.00 0.00 37.83 34.36 2akl s LYS 97 CO -0.06 0.20 -0.10 0.42 1.55 0.00 0.00 175.35 177.36 2akl s ILE 98 N 0.34 2.12 -0.72 5.43 1.09 0.15 -4.81 121.20 124.80 2akl s ILE 98 Ca -0.14 -1.62 -0.26 0.00 -1.10 0.00 0.00 60.65 57.53 2akl s ILE 98 Cb -0.17 -2.25 -0.02 0.00 -1.06 0.00 0.00 42.46 38.97 2akl s ILE 98 CO 0.07 -0.04 1.77 -0.62 -0.10 0.00 0.00 174.94 176.02 2akl s ASP 99 N 1.12 5.44 0.00 3.58 2.15 -1.26 -1.18 116.67 126.52 2akl s ASP 99 Ca -0.08 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.80 2akl s ASP 99 Cb -0.20 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2akl s ASP 99 CO -0.05 -2.33 0.00 0.61 -0.17 0.00 0.00 175.17 173.23 2akl n GLY 100 N 5.97 1.94 0.00 2.66 0.00 -1.26 -4.94 105.19 109.56 2akl n GLY 100 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2akl n GLY 100 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2akl n ILE 101 N 0.00 0.00 0.00 -0.61 -5.35 -1.09 -5.13 119.36 107.17 2akl n ILE 101 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2akl n ILE 101 Cb 0.00 -0.53 0.00 0.00 -1.74 0.00 0.00 39.64 37.37 2akl n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2akl n GLY 102 N 3.11 0.71 3.87 3.28 0.00 -0.33 -5.05 105.19 110.79 2akl n GLY 102 Ca 0.00 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 2akl n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akl s ALA 103 N -1.09 3.58 0.05 4.61 0.00 -1.26 0.30 121.76 127.95 2akl s ALA 103 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 2akl s ALA 103 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 2akl s ALA 103 CO 0.00 0.51 -0.01 1.41 0.00 0.00 0.00 175.76 177.67 2akl s MET 104 N -2.66 0.62 0.01 0.00 0.00 0.94 -4.90 119.30 113.31 2akl s MET 104 Ca 0.45 -1.18 0.07 0.00 0.00 0.00 0.00 55.69 55.03 2akl s MET 104 Cb -0.12 0.22 -0.03 0.00 0.00 0.00 0.00 34.83 34.90 2akl s MET 104 CO 0.21 -0.12 -0.19 -1.59 0.00 0.00 0.00 175.02 173.32 2akl s LYS 105 N -3.85 2.13 0.06 4.11 -2.85 -1.26 -0.92 119.74 117.16 2akl s LYS 105 Ca 0.06 -0.93 0.07 0.00 -1.00 0.00 0.00 55.97 54.17 2akl s LYS 105 Cb 0.07 -2.18 -0.03 0.00 -2.06 0.00 0.00 37.83 33.64 2akl s LYS 105 CO -0.10 0.56 -0.20 -0.51 0.10 0.00 0.00 175.35 175.20 2akl s LEU 106 N -1.15 2.22 0.01 2.77 1.43 -0.48 -5.00 118.68 118.49 2akl s LEU 106 Ca 0.13 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 2akl s LEU 106 Cb -0.10 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 2akl s LEU 106 CO 0.03 0.10 1.18 -0.54 0.23 0.00 0.00 176.35 177.34 2akl s LYS 107 N -1.44 4.42 0.28 1.70 3.01 -1.26 -3.04 119.74 123.41 2akl s LYS 107 Ca 0.06 1.70 0.01 0.00 -1.01 0.00 0.00 55.97 56.73 2akl s LYS 107 Cb -0.09 -3.43 0.58 0.00 -1.01 0.00 0.00 37.83 33.87 2akl s LYS 107 CO 0.03 -0.30 1.80 1.03 0.51 0.00 0.00 175.35 178.42 2akl h SER 108 N 7.04 0.78 0.42 2.83 0.87 -1.82 -0.57 113.55 123.10 2akl h SER 108 Ca -0.39 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2akl h SER 108 Cb 1.20 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2akl h SER 108 CO 0.83 0.37 0.00 -1.84 -0.53 0.00 0.00 176.83 175.66 2akl n GLU 109 N -4.72 0.09 -0.07 2.24 0.28 -1.26 -2.05 120.64 115.14 2akl n GLU 109 Ca 0.19 0.41 0.05 0.00 -0.16 0.00 0.00 57.16 57.65 2akl n GLU 109 Cb 0.42 -1.69 0.09 0.00 1.43 0.00 0.00 31.44 31.68 2akl n GLU 109 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2akl n PHE 110 N -1.86 0.20 -4.17 -1.84 3.72 -0.23 -4.46 117.46 108.81 2akl n PHE 110 Ca 0.02 -0.24 -0.25 0.00 -0.05 0.00 0.00 57.45 56.93 2akl n PHE 110 Cb 0.14 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.59 2akl n PHE 110 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2akl s VAL 111 N -0.90 2.30 -0.08 -4.37 -7.23 -1.00 -2.13 120.40 106.99 2akl s VAL 111 Ca 0.16 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 58.50 2akl s VAL 111 Cb 0.09 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 34.06 2akl s VAL 111 CO 0.13 -0.01 0.27 -0.60 -0.31 0.00 0.00 175.10 174.59 2akl s ARG 112 N -3.89 0.40 0.36 4.82 3.52 0.16 -1.08 118.95 123.25 2akl s ARG 112 Ca 0.40 0.22 -0.28 0.00 -0.13 0.00 0.00 55.73 55.95 2akl s ARG 112 Cb 0.04 0.19 -0.10 0.00 -1.56 0.00 0.00 34.95 33.52 2akl s ARG 112 CO 0.22 -0.07 1.33 0.21 -0.81 0.00 0.00 175.30 176.18 2akl s LYS 113 N -0.24 4.20 -0.09 5.12 2.20 -1.26 0.24 119.74 129.91 2akl s LYS 113 Ca -0.04 2.25 -0.10 0.00 -0.36 0.00 0.00 55.97 57.72 2akl s LYS 113 Cb -0.03 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 2akl s LYS 113 CO 0.01 -0.33 -0.21 0.28 -0.36 0.00 0.00 175.35 174.73 2akl n VAL 114 N 0.54 1.30 -0.21 4.02 0.31 -0.24 -4.73 118.33 119.31 2akl n VAL 114 Ca 0.01 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2akl n VAL 114 Cb 0.42 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 2akl n VAL 114 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2akl n GLY 115 N 2.19 0.77 0.00 2.92 0.00 -0.97 -5.00 105.19 105.10 2akl n GLY 115 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76