#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2akl s VAL 2 N 0.00 5.22 -1.30 3.17 0.11 -1.26 -4.99 120.40 121.35 2akl s VAL 2 Ca 0.00 0.68 -0.10 0.00 -2.93 0.00 0.00 61.98 59.63 2akl s VAL 2 Cb 0.00 -3.71 0.16 0.00 -1.53 0.00 0.00 36.38 31.30 2akl s VAL 2 CO 0.00 0.28 1.91 -1.20 -3.33 0.00 0.00 175.10 172.76 2akl n SER 3 N 4.27 4.98 -3.95 3.54 7.64 -1.26 -4.88 113.62 123.96 2akl n SER 3 Ca -0.09 -3.09 -0.29 0.00 1.01 0.00 0.00 58.87 56.41 2akl n SER 3 Cb 0.51 -1.49 -0.16 0.00 -1.01 0.00 0.00 64.21 62.05 2akl n SER 3 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2akl s THR 4 N 0.62 1.33 0.13 0.44 -4.23 -1.26 -5.13 115.64 107.54 2akl s THR 4 Ca 0.40 -0.62 0.06 0.00 -1.18 0.00 0.00 61.69 60.36 2akl s THR 4 Cb 0.10 -1.36 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 2akl s THR 4 CO -0.00 0.30 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.61 2akl s LEU 5 N 1.56 3.36 0.70 4.79 1.43 -1.26 -5.12 118.68 124.14 2akl s LEU 5 Ca 0.03 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 2akl s LEU 5 Cb -0.14 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.04 2akl s LEU 5 CO -0.09 0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.55 2akl s PRO 6 N -2.62 2.68 0.00 1.29 0.04 -1.26 -5.05 135.00 130.08 2akl s PRO 6 Ca 0.26 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2akl s PRO 6 Cb -0.10 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2akl s PRO 6 CO 0.18 -1.32 0.00 -2.30 0.04 0.00 0.00 177.00 173.60 2akl n PRO 7 N -2.92 -0.90 -3.62 0.56 -0.02 -1.26 -4.80 135.00 122.04 2akl n PRO 7 Ca 0.09 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.20 2akl n PRO 7 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.91 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 4.48 0.51 -0.10 0.00 -0.04 -1.26 -0.35 135.00 138.24 2akl n PRO 9 Ca -0.14 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.12 2akl n PRO 9 Cb 0.52 -1.22 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.72 0.44 0.00 0.54 6.02 -1.26 -4.90 117.38 117.50 2akl n GLN 10 Ca 0.05 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2akl n GLN 10 Cb 0.03 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 -1.88 -4.34 0.24 0.00 2.85 0.52 -4.86 115.26 107.79 2akl n ASN 12 Ca 0.00 0.04 0.16 0.00 -0.11 0.00 0.00 54.58 54.67 2akl n ASN 12 Cb 0.39 -1.99 0.85 0.00 1.24 0.00 0.00 39.78 40.27 2akl n ASN 12 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2akl h SER 13 N 0.00 0.00 0.00 1.20 0.02 -1.96 -3.44 113.55 109.38 2akl h SER 13 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2akl h SER 13 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2akl h SER 13 CO 0.05 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.12 2akl n GLU 14 N -3.86 0.00 -1.52 3.45 1.02 -1.26 -4.93 120.64 113.53 2akl n GLU 14 Ca -0.00 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.87 2akl n GLU 14 Cb 0.23 -2.07 -0.06 0.00 -0.02 0.00 0.00 31.44 29.52 2akl n GLU 14 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2akl n TYR 15 N -2.68 1.61 -4.05 -0.32 4.02 -1.26 -4.90 117.16 109.58 2akl n TYR 15 Ca 0.00 -2.08 -0.31 0.00 -0.01 0.00 0.00 57.90 55.50 2akl n TYR 15 Cb 0.00 -1.52 -0.06 0.00 -0.02 0.00 0.00 39.34 37.74 2akl n TYR 15 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2akl s THR 16 N -1.56 4.57 0.33 -0.72 2.01 -1.26 -4.15 115.64 114.86 2akl s THR 16 Ca 0.59 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 2akl s THR 16 Cb 0.33 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.66 2akl s THR 16 CO -0.17 0.14 0.52 -0.72 -0.69 0.00 0.00 174.62 173.70 2akl s TYR 17 N -1.38 0.80 -0.19 4.92 -0.85 -1.15 -4.96 117.35 114.54 2akl s TYR 17 Ca 0.29 -1.12 -0.07 0.00 -0.52 0.00 0.00 57.07 55.65 2akl s TYR 17 Cb -0.12 0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 2akl s TYR 17 CO 0.22 -1.18 0.05 -1.83 -1.52 0.00 0.00 175.55 171.29 2akl s GLU 18 N -3.09 3.88 -0.23 -3.49 -1.05 -1.26 -1.59 118.70 111.86 2akl s GLU 18 Ca 0.27 -0.39 0.13 0.00 -0.15 0.00 0.00 54.97 54.82 2akl s GLU 18 Cb -0.01 -3.19 0.48 0.00 -0.44 0.00 0.00 34.13 30.97 2akl s GLU 18 CO 0.17 0.19 1.40 -3.47 0.95 0.00 0.00 175.26 174.50 2akl n ASP 19 N 3.77 2.81 0.00 0.83 2.03 -1.16 -4.97 116.55 119.86 2akl n ASP 19 Ca -0.17 -3.48 0.00 0.00 0.52 0.00 0.00 54.79 51.66 2akl n ASP 19 Cb 0.52 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 2akl n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2akl n GLY 20 N -0.99 0.47 1.53 0.27 0.00 -1.26 -4.84 105.19 100.37 2akl n GLY 20 Ca 0.27 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.81 3.02 -3.59 4.61 0.00 -1.26 -4.94 120.51 117.53 2akl n ALA 21 Ca 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 53.44 51.88 2akl n ALA 21 Cb 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 1.14 0.00 -4.37 0.00 -0.00 -1.26 -4.97 117.00 107.55 2akl n LEU 22 Ca 0.25 -1.67 -0.31 0.00 -0.00 0.00 0.00 56.01 54.28 2akl n LEU 22 Cb 0.84 1.59 -0.15 0.00 -0.00 0.00 0.00 43.42 45.71 2akl n LEU 22 CO 0.23 -0.40 -0.53 -0.76 -0.00 0.00 0.00 177.39 175.92 2akl s LEU 23 N 0.00 2.28 0.05 1.47 1.43 -0.61 -3.01 118.68 120.29 2akl s LEU 23 Ca 0.16 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 2akl s LEU 23 Cb -0.01 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 2akl s LEU 23 CO 0.12 0.31 -0.13 0.68 0.23 0.00 0.00 176.35 177.56 2akl s VAL 24 N -0.70 1.04 -0.38 -1.59 -7.23 -0.62 -0.58 120.40 110.35 2akl s VAL 24 Ca 0.11 -1.06 -0.13 0.00 -1.81 0.00 0.00 61.98 59.09 2akl s VAL 24 Cb -0.10 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.88 2akl s VAL 24 CO 0.00 -0.08 0.25 0.00 -0.31 0.00 0.00 175.10 174.96 2akl h PRO 26 N 8.52 0.00 0.16 0.00 0.13 -1.88 -2.08 132.00 136.85 2akl h PRO 26 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2akl h PRO 26 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2akl h PRO 26 CO 0.68 0.03 -0.08 1.49 -0.23 0.00 0.00 178.00 179.90 2akl h GLU 27 N 0.00 -0.20 0.00 0.86 4.81 -1.92 -3.33 114.58 114.79 2akl h GLU 27 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2akl h GLU 27 Cb 0.12 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2akl h GLU 27 CO 0.00 -0.10 0.00 0.00 -0.73 0.00 0.00 179.01 178.18 2akl n ALA 29 N -1.24 -1.13 -3.32 0.00 0.00 -0.79 -4.99 120.51 109.04 2akl n ALA 29 Ca 0.13 0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 2akl n ALA 29 Cb 0.19 -4.20 -0.14 0.00 0.00 0.00 0.00 19.45 15.29 2akl n ALA 29 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2akl s HIS 30 N -3.19 -0.04 0.41 0.00 3.76 -1.21 -5.04 115.29 109.98 2akl s HIS 30 Ca 0.46 0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 55.54 2akl s HIS 30 Cb -0.22 -0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.36 2akl s HIS 30 CO 0.57 -0.07 0.65 -1.21 -0.85 0.00 0.00 174.74 173.83 2akl s GLU 31 N 0.55 3.41 0.18 1.40 8.01 -1.26 -2.10 118.70 128.89 2akl s GLU 31 Ca -0.04 -0.19 -0.22 0.00 0.01 0.00 0.00 54.97 54.52 2akl s GLU 31 Cb -0.06 -2.55 0.06 0.00 -4.31 0.00 0.00 34.13 27.27 2akl s GLU 31 CO -0.02 -0.05 0.61 1.67 0.01 0.00 0.00 175.26 177.48 2akl s TRP 32 N -2.50 -0.45 -0.08 1.61 1.48 0.25 -4.96 118.94 114.30 2akl s TRP 32 Ca 0.44 0.18 0.04 0.00 -1.06 0.00 0.00 56.10 55.70 2akl s TRP 32 Cb -0.10 0.57 -0.01 0.00 -1.16 0.00 0.00 33.47 32.77 2akl s TRP 32 CO 0.39 -0.92 -0.20 0.45 -4.06 0.00 0.00 176.95 172.61 2akl s SER 33 N -2.79 3.47 0.50 -2.66 0.15 -1.26 -1.57 113.70 109.54 2akl s SER 33 Ca 0.03 -0.42 0.22 0.00 0.70 0.00 0.00 55.95 56.49 2akl s SER 33 Cb -0.02 -1.10 1.30 0.00 -1.71 0.00 0.00 66.02 64.50 2akl s SER 33 CO -0.09 0.23 2.06 1.55 1.20 0.00 0.00 173.24 178.19 2akl h PRO 34 N 6.17 0.00 0.00 5.44 0.13 -1.93 -3.29 132.00 138.52 2akl h PRO 34 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2akl h PRO 34 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2akl h PRO 34 CO 0.50 0.14 -0.32 0.09 -0.23 0.00 0.00 178.00 178.17 2akl n ASN 35 N -3.93 0.67 0.25 1.44 3.02 -1.26 -4.84 115.26 110.61 2akl n ASN 35 Ca -0.02 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.70 2akl n ASN 35 Cb 0.23 0.00 0.82 0.00 -0.61 0.00 0.00 39.78 40.22 2akl n ASN 35 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2akl h GLU 36 N 0.00 0.00 0.00 3.52 4.81 -1.91 -2.22 114.58 118.78 2akl h GLU 36 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2akl h GLU 36 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2akl h GLU 36 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 2akl h ALA 37 N 2.04 1.00 -0.02 2.92 0.00 -1.88 -2.80 119.26 120.52 2akl h ALA 37 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2akl h ALA 37 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2akl h ALA 37 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.22 2akl h ALA 38 N 2.00 0.04 -3.48 0.00 0.00 -1.70 -3.43 119.26 112.69 2akl h ALA 38 Ca 0.00 -0.27 -0.58 0.00 0.00 0.00 0.00 54.91 54.06 2akl h ALA 38 Cb 0.18 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.58 2akl h ALA 38 CO 0.00 -0.18 -0.79 0.95 0.00 0.00 0.00 179.25 179.24 2akl s THR 39 N -4.16 1.26 -0.04 0.00 -4.23 -1.06 -4.92 115.64 102.49 2akl s THR 39 Ca -0.16 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2akl s THR 39 Cb 0.02 -1.53 0.10 0.00 1.34 0.00 0.00 72.50 72.42 2akl s THR 39 CO 0.69 -0.04 0.97 0.00 -0.54 0.00 0.00 174.62 175.69 2akl n ALA 40 N 4.79 1.92 -0.20 3.99 0.00 -1.26 -4.77 120.51 124.98 2akl n ALA 40 Ca -0.12 -1.47 0.06 0.00 0.00 0.00 0.00 53.44 51.92 2akl n ALA 40 Cb 0.46 -0.29 0.28 0.00 0.00 0.00 0.00 19.45 19.90 2akl n ALA 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2akl n SER 41 N -0.58 4.03 -3.93 0.00 7.64 -1.26 -4.87 113.62 114.64 2akl n SER 41 Ca 0.05 -2.47 -0.10 0.00 1.01 0.00 0.00 58.87 57.37 2akl n SER 41 Cb 0.57 -0.55 -0.10 0.00 -1.01 0.00 0.00 64.21 63.12 2akl n SER 41 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2akl s ASP 42 N -0.72 0.17 -0.03 6.43 -1.08 -1.26 -5.05 116.67 115.14 2akl s ASP 42 Ca 0.40 -0.47 0.20 0.00 -0.52 0.00 0.00 52.55 52.15 2akl s ASP 42 Cb 0.27 0.19 -0.30 0.00 -1.46 0.00 0.00 42.92 41.63 2akl s ASP 42 CO 0.16 -0.44 0.46 -0.67 0.52 0.00 0.00 175.17 175.21 2akl n ASP 43 N 1.06 0.50 -0.36 -0.34 2.03 -1.26 -4.98 116.55 113.19 2akl n ASP 43 Ca -0.21 -0.07 -0.03 0.00 0.52 0.00 0.00 54.79 55.00 2akl n ASP 43 Cb 0.57 1.84 -0.00 0.00 -0.72 0.00 0.00 41.12 42.81 2akl n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2akl n GLY 44 N 1.38 0.32 0.05 0.27 0.00 -1.26 -4.94 105.19 101.01 2akl n GLY 44 Ca -0.03 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.29 2akl n GLY 44 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2akl n LYS 45 N -1.69 0.65 -3.40 1.61 2.85 -1.26 -4.93 118.16 111.99 2akl n LYS 45 Ca -0.04 -0.09 -0.38 0.00 -1.05 0.00 0.00 58.31 56.75 2akl n LYS 45 Cb 0.44 -1.60 -0.06 0.00 -0.65 0.00 0.00 35.03 33.15 2akl n LYS 45 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2akl s VAL 46 N -3.36 5.10 -0.10 0.58 1.01 -1.26 -4.87 120.40 117.50 2akl s VAL 46 Ca -0.06 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 2akl s VAL 46 Cb 0.12 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2akl s VAL 46 CO 0.87 0.45 1.32 -0.63 0.00 0.00 0.00 175.10 177.11 2akl s ILE 47 N -0.20 4.10 -0.05 2.22 -1.09 -1.26 -4.96 121.20 119.96 2akl s ILE 47 Ca 0.25 1.38 0.06 0.00 -2.23 0.00 0.00 60.65 60.11 2akl s ILE 47 Cb -0.16 -3.89 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 2akl s ILE 47 CO 0.12 -0.08 -0.24 -0.75 -1.23 0.00 0.00 174.94 172.77 2akl s LYS 48 N 3.10 2.42 0.43 2.79 2.20 -1.26 -2.29 119.74 127.13 2akl s LYS 48 Ca 0.59 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2akl s LYS 48 Cb -0.25 -2.16 0.09 0.00 -1.51 0.00 0.00 37.83 33.99 2akl s LYS 48 CO 0.20 0.47 0.60 -0.25 -0.36 0.00 0.00 175.35 176.01 2akl n ASP 49 N 2.71 0.84 0.00 1.43 8.00 -0.60 -4.26 116.55 124.67 2akl n ASP 49 Ca -0.17 -1.70 0.13 0.00 0.71 0.00 0.00 54.79 53.76 2akl n ASP 49 Cb 0.52 -0.38 0.65 0.00 -0.02 0.00 0.00 41.12 41.88 2akl n ASP 49 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2akl n SER 50 N -2.92 0.00 0.10 -2.24 2.88 -0.80 -1.85 113.62 108.79 2akl n SER 50 Ca 0.10 -0.06 0.09 0.00 -1.33 0.00 0.00 58.87 57.68 2akl n SER 50 Cb 0.36 -0.29 -0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2akl n SER 50 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2akl h VAL 51 N 0.00 0.11 0.00 2.46 2.07 -1.87 -3.47 116.25 115.55 2akl h VAL 51 Ca 0.00 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2akl h VAL 51 Cb 0.25 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2akl h VAL 51 CO 0.00 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.26 2akl n GLY 52 N 1.21 0.69 3.79 2.17 0.00 -0.77 -5.06 105.19 107.22 2akl n GLY 52 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.67 7.11 -0.15 1.61 6.03 -1.26 -4.76 114.94 120.86 2akl s ASN 53 Ca 0.00 1.83 -0.06 0.00 -1.03 0.00 0.00 52.86 53.59 2akl s ASN 53 Cb 0.00 -2.57 -0.04 0.00 -3.03 0.00 0.00 41.25 35.61 2akl s ASN 53 CO 0.00 -0.23 0.08 -0.69 -2.03 0.00 0.00 177.10 174.23 2akl s VAL 54 N -1.79 4.96 0.56 3.54 1.01 -1.26 -1.56 120.40 125.85 2akl s VAL 54 Ca 0.55 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.59 2akl s VAL 54 Cb -0.16 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.09 2akl s VAL 54 CO 0.21 0.53 0.77 -0.76 0.00 0.00 0.00 175.10 175.85 2akl s LEU 55 N -0.27 3.28 0.09 3.92 1.02 -0.97 -5.02 118.68 120.72 2akl s LEU 55 Ca 0.09 -0.39 0.08 0.00 0.02 0.00 0.00 54.13 53.92 2akl s LEU 55 Cb -0.12 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.72 2akl s LEU 55 CO 0.01 -1.23 -0.20 -1.58 0.02 0.00 0.00 176.35 173.37 2akl s GLN 56 N -4.71 1.10 0.16 1.70 2.00 -1.26 -4.80 119.66 113.86 2akl s GLN 56 Ca 0.60 -1.09 -0.31 0.00 -2.00 0.00 0.00 55.36 52.55 2akl s GLN 56 Cb -0.08 -1.30 -0.10 0.00 0.80 0.00 0.00 33.01 32.33 2akl s GLN 56 CO 0.38 0.31 1.53 0.34 -0.50 0.00 0.00 175.29 177.35 2akl s ASP 57 N -1.77 6.63 0.00 6.67 -1.08 -1.26 -1.46 116.67 124.39 2akl s ASP 57 Ca 0.05 2.57 0.00 0.00 -0.52 0.00 0.00 52.55 54.65 2akl s ASP 57 Cb -0.10 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2akl s ASP 57 CO 0.04 -0.79 0.00 0.61 0.52 0.00 0.00 175.17 175.54 2akl n GLY 58 N 3.66 1.31 3.73 2.66 0.00 0.11 -4.90 105.19 111.77 2akl n GLY 58 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.12 2.13 -0.10 1.61 -1.08 -0.54 -2.38 116.67 113.19 2akl s ASP 59 Ca 0.00 0.64 -0.03 0.00 -0.52 0.00 0.00 52.55 52.64 2akl s ASP 59 Cb 0.00 -0.93 -0.03 0.00 -1.46 0.00 0.00 42.92 40.50 2akl s ASP 59 CO 0.00 -3.38 0.01 -0.89 0.52 0.00 0.00 175.17 171.44 2akl s THR 60 N -3.29 4.41 0.35 1.71 2.01 -1.26 -0.52 115.64 119.05 2akl s THR 60 Ca 0.70 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.58 2akl s THR 60 Cb -0.10 -2.87 -0.07 0.00 0.01 0.00 0.00 72.50 69.47 2akl s THR 60 CO 0.55 0.59 -0.07 0.27 -0.69 0.00 0.00 174.62 175.27 2akl s ILE 61 N -0.73 2.11 -0.21 1.82 -5.25 0.62 -1.83 121.20 117.72 2akl s ILE 61 Ca 0.12 -2.15 -0.04 0.00 -0.99 0.00 0.00 60.65 57.58 2akl s ILE 61 Cb -0.12 -2.71 0.11 0.00 2.95 0.00 0.00 42.46 42.70 2akl s ILE 61 CO 0.02 -0.16 0.36 -0.89 -1.79 0.00 0.00 174.94 172.48 2akl s THR 62 N -2.68 -0.57 0.13 8.37 2.01 0.19 -1.91 115.64 121.17 2akl s THR 62 Ca 0.33 0.03 -0.31 0.00 0.31 0.00 0.00 61.69 62.05 2akl s THR 62 Cb 0.04 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.73 2akl s THR 62 CO 0.16 -0.05 1.79 0.54 -0.69 0.00 0.00 174.62 176.38 2akl s VAL 63 N 2.53 2.54 -1.28 3.82 0.11 -1.15 0.33 120.40 127.31 2akl s VAL 63 Ca 0.07 0.11 0.17 0.00 -2.93 0.00 0.00 61.98 59.39 2akl s VAL 63 Cb -0.14 -3.07 0.64 0.00 -1.53 0.00 0.00 36.38 32.28 2akl s VAL 63 CO -0.14 0.00 1.53 2.30 -3.33 0.00 0.00 175.10 175.46 2akl n ILE 64 N 4.64 1.55 -4.14 7.04 -0.00 -0.19 0.17 119.36 128.43 2akl n ILE 64 Ca 0.17 -1.03 -0.09 0.00 -0.00 0.00 0.00 62.75 61.80 2akl n ILE 64 Cb 0.38 0.11 -0.10 0.00 -0.00 0.00 0.00 39.64 40.03 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 -1.75 0.77 -0.33 6.28 3.01 -1.22 -4.77 119.74 121.73 2akl s LYS 65 Ca 0.45 -1.31 -0.24 0.00 -1.01 0.00 0.00 55.97 53.87 2akl s LYS 65 Cb 0.29 -0.00 0.01 0.00 -1.01 0.00 0.00 37.83 37.11 2akl s LYS 65 CO 0.23 -0.08 0.82 0.34 0.51 0.00 0.00 175.35 177.16 2akl s ASP 66 N -3.00 6.65 0.05 2.83 -1.08 -1.26 -2.54 116.67 118.32 2akl s ASP 66 Ca 0.12 0.60 0.05 0.00 -0.52 0.00 0.00 52.55 52.80 2akl s ASP 66 Cb 0.07 -2.42 -0.02 0.00 -1.46 0.00 0.00 42.92 39.08 2akl s ASP 66 CO -0.06 -0.68 -0.15 -0.76 0.52 0.00 0.00 175.17 174.04 2akl s LEU 67 N 3.08 2.19 0.73 -1.34 1.02 0.21 -5.01 118.68 119.57 2akl s LEU 67 Ca 0.33 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.99 2akl s LEU 67 Cb -0.14 -0.62 0.14 0.00 0.02 0.00 0.00 46.19 45.59 2akl s LEU 67 CO 0.14 0.02 1.01 -1.59 0.02 0.00 0.00 176.35 175.96 2akl s LYS 68 N -1.26 1.59 -0.06 1.70 -2.85 -1.26 0.16 119.74 117.76 2akl s LYS 68 Ca 0.02 -1.25 0.01 0.00 -1.00 0.00 0.00 55.97 53.75 2akl s LYS 68 Cb -0.08 -2.34 0.02 0.00 -2.06 0.00 0.00 37.83 33.36 2akl s LYS 68 CO 0.02 -1.51 -0.09 0.08 0.10 0.00 0.00 175.35 173.95 2akl s VAL 69 N -3.15 0.90 -0.01 1.79 1.01 -1.24 -4.52 120.40 115.17 2akl s VAL 69 Ca 0.67 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 2akl s VAL 69 Cb -0.04 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 2akl s VAL 69 CO 0.45 0.31 0.48 -0.75 0.00 0.00 0.00 175.10 175.59 2akl s LYS 70 N 0.93 4.13 0.00 2.72 2.20 -1.26 -3.97 119.74 124.49 2akl s LYS 70 Ca -0.10 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 2akl s LYS 70 Cb -0.15 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2akl s LYS 70 CO 0.01 0.51 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 2akl n GLY 71 N 2.23 2.68 3.81 5.54 0.00 -1.26 -4.95 105.19 113.23 2akl n GLY 71 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.22 5.57 -0.01 1.61 0.01 -1.26 -4.99 113.70 114.41 2akl s SER 72 Ca 0.00 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.18 2akl s SER 72 Cb 0.00 -1.47 0.14 0.00 0.21 0.00 0.00 66.02 64.91 2akl s SER 72 CO 0.00 0.06 1.04 -1.20 0.41 0.00 0.00 173.24 173.54 2akl n SER 73 N -0.43 1.09 -4.78 2.44 7.64 -1.26 -4.74 113.62 113.58 2akl n SER 73 Ca -0.08 -2.04 -0.29 0.00 1.01 0.00 0.00 58.87 57.46 2akl n SER 73 Cb 0.55 -0.20 0.11 0.00 -1.01 0.00 0.00 64.21 63.66 2akl n SER 73 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2akl s LEU 74 N -0.91 2.35 -0.29 -3.43 2.01 -1.26 -5.06 118.68 112.09 2akl s LEU 74 Ca 0.11 0.79 -0.07 0.00 0.01 0.00 0.00 54.13 54.96 2akl s LEU 74 Cb 0.06 -3.18 0.14 0.00 0.01 0.00 0.00 46.19 43.23 2akl s LEU 74 CO 0.06 -2.21 0.60 -0.69 1.01 0.00 0.00 176.35 175.13 2akl s VAL 75 N -3.51 -0.95 -0.74 -1.59 1.01 -1.26 -3.68 120.40 109.67 2akl s VAL 75 Ca 0.64 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.44 2akl s VAL 75 Cb -0.11 -0.96 0.11 0.00 0.00 0.00 0.00 36.38 35.42 2akl s VAL 75 CO 0.51 0.00 0.92 -0.69 0.00 0.00 0.00 175.10 175.84 2akl s VAL 76 N 2.85 4.73 0.02 2.92 1.01 0.12 -4.97 120.40 127.08 2akl s VAL 76 Ca 0.02 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.88 2akl s VAL 76 Cb -0.13 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 2akl s VAL 76 CO -0.19 -1.33 -0.00 -1.59 0.00 0.00 0.00 175.10 171.99 2akl s LYS 77 N 2.84 2.72 -0.83 2.72 0.00 -1.26 0.66 119.74 126.59 2akl s LYS 77 Ca 0.22 -0.67 -0.26 0.00 0.00 0.00 0.00 55.97 55.26 2akl s LYS 77 Cb -0.15 -2.63 -0.18 0.00 0.00 0.00 0.00 37.83 34.87 2akl s LYS 77 CO 0.01 0.61 2.53 1.55 0.00 0.00 0.00 175.35 180.04 2akl n VAL 78 N 1.23 -0.03 0.00 1.79 3.14 -1.05 -0.36 118.33 123.05 2akl n VAL 78 Ca -0.14 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 2akl n VAL 78 Cb 0.52 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 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 6.25 0.17 3.57 7.55 0.00 0.13 -4.94 105.19 117.92 2akl n GLY 79 Ca 0.56 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.99 3.14 -0.36 2.61 2.01 0.51 -4.84 115.64 117.73 2akl s THR 80 Ca 0.00 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 61.93 2akl s THR 80 Cb 0.00 -3.28 -0.00 0.00 0.01 0.00 0.00 72.50 69.23 2akl s THR 80 CO 0.00 -0.23 0.55 -0.75 -0.69 0.00 0.00 174.62 173.50 2akl s LYS 81 N 7.15 3.61 -0.10 4.92 2.20 -1.26 -2.94 119.74 133.32 2akl s LYS 81 Ca 0.90 -0.12 -0.00 0.00 -0.36 0.00 0.00 55.97 56.38 2akl s LYS 81 Cb -0.21 -3.82 0.02 0.00 -1.51 0.00 0.00 37.83 32.32 2akl s LYS 81 CO 0.29 -0.68 -0.06 0.08 -0.36 0.00 0.00 175.35 174.62 2akl s VAL 82 N 2.48 0.83 0.37 4.02 1.01 -0.81 -4.99 120.40 123.31 2akl s VAL 82 Ca 0.20 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.08 2akl s VAL 82 Cb -0.15 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2akl s VAL 82 CO 0.14 0.33 0.29 -1.59 0.00 0.00 0.00 175.10 174.27 2akl s LYS 83 N 1.68 2.56 -0.67 2.72 -2.85 -1.26 -0.28 119.74 121.64 2akl s LYS 83 Ca 0.03 -1.46 -0.03 0.00 -1.00 0.00 0.00 55.97 53.52 2akl s LYS 83 Cb -0.13 -2.36 0.00 0.00 -2.06 0.00 0.00 37.83 33.29 2akl s LYS 83 CO -0.06 -0.01 0.35 -1.71 0.10 0.00 0.00 175.35 174.02 2akl n ASN 84 N -1.38 -3.71 -3.31 0.03 2.85 0.32 -4.56 115.26 105.50 2akl n ASN 84 Ca -0.00 -0.16 -0.25 0.00 -0.11 0.00 0.00 54.58 54.06 2akl n ASN 84 Cb 0.61 -2.51 0.22 0.00 1.24 0.00 0.00 39.78 39.34 2akl n ASN 84 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2akl n ILE 85 N -3.75 0.00 -4.46 -1.44 -5.35 -1.10 -4.39 119.36 98.87 2akl n ILE 85 Ca -0.03 -0.27 -0.23 0.00 -0.27 0.00 0.00 62.75 61.95 2akl n ILE 85 Cb 0.55 -1.07 -0.16 0.00 -1.74 0.00 0.00 39.64 37.21 2akl n ILE 85 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2akl s ARG 86 N -4.95 1.36 -0.35 6.28 3.00 0.16 0.09 118.95 124.55 2akl s ARG 86 Ca 0.58 -0.32 -0.29 0.00 -1.00 0.00 0.00 55.73 54.70 2akl s ARG 86 Cb -0.07 -1.18 -0.01 0.00 0.00 0.00 0.00 34.95 33.69 2akl s ARG 86 CO 0.45 0.02 1.58 -0.51 0.00 0.00 0.00 175.30 176.85 2akl s LEU 87 N 0.63 3.60 0.42 -0.88 1.43 -1.26 -1.53 118.68 121.09 2akl s LEU 87 Ca -0.12 1.13 -0.22 0.00 -1.03 0.00 0.00 54.13 53.89 2akl s LEU 87 Cb -0.14 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.45 2akl s LEU 87 CO 0.02 -1.50 1.00 -0.69 0.23 0.00 0.00 176.35 175.41 2akl s VAL 88 N 5.90 4.04 -0.32 -1.59 1.01 -1.26 -4.93 120.40 123.25 2akl s VAL 88 Ca 0.69 1.39 0.24 0.00 0.00 0.00 0.00 61.98 64.31 2akl s VAL 88 Cb -0.19 -3.63 0.33 0.00 0.00 0.00 0.00 36.38 32.89 2akl s VAL 88 CO 0.32 -0.16 1.67 0.44 0.00 0.00 0.00 175.10 177.38 2akl h ASP 89 N 2.13 0.00 -3.47 3.32 3.32 -1.93 -3.45 116.42 116.34 2akl h ASP 89 Ca -0.49 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.02 2akl h ASP 89 Cb 1.20 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.85 2akl h ASP 89 CO 0.61 0.03 0.82 0.61 -1.72 0.00 0.00 179.24 179.59 2akl n GLY 90 N 0.90 1.23 0.00 2.75 0.00 -1.26 -4.90 105.19 103.91 2akl n GLY 90 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2akl n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2akl n ASP 91 N 1.51 0.00 -0.54 1.61 9.92 -1.26 -2.92 116.55 124.87 2akl n ASP 91 Ca 0.06 0.05 0.06 0.00 -0.53 0.00 0.00 54.79 54.43 2akl n ASP 91 Cb 0.37 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.93 2akl n ASP 91 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2akl n HIS 92 N -0.29 0.13 -1.62 1.24 8.25 -1.26 -4.90 115.22 116.78 2akl n HIS 92 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2akl n HIS 92 Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 2akl n HIS 92 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2akl n ASP 93 N 0.66 0.00 -3.73 0.41 8.00 -1.15 -3.84 116.55 116.90 2akl n ASP 93 Ca 0.09 -0.97 -0.16 0.00 0.71 0.00 0.00 54.79 54.45 2akl n ASP 93 Cb 0.34 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.28 2akl n ASP 93 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2akl s ILE 94 N -0.32 -0.08 -0.18 0.53 1.01 -0.69 -4.09 121.20 117.37 2akl s ILE 94 Ca 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.76 2akl s ILE 94 Cb 0.00 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.30 2akl s ILE 94 CO 0.00 0.12 0.45 -0.62 0.00 0.00 0.00 174.94 174.88 2akl s ASP 95 N 1.47 6.53 0.00 3.58 -1.08 -0.58 -1.51 116.67 125.07 2akl s ASP 95 Ca -0.04 0.63 0.02 0.00 -0.52 0.00 0.00 52.55 52.64 2akl s ASP 95 Cb -0.12 -2.26 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 2akl s ASP 95 CO -0.04 -0.08 -0.07 0.00 0.52 0.00 0.00 175.17 175.50 2akl s LYS 97 N -0.40 3.46 -0.33 0.00 -2.85 -1.26 -0.68 119.74 117.69 2akl s LYS 97 Ca 0.01 -0.60 0.01 0.00 -1.00 0.00 0.00 55.97 54.38 2akl s LYS 97 Cb -0.04 -3.83 0.08 0.00 -2.06 0.00 0.00 37.83 31.98 2akl s LYS 97 CO -0.00 -0.51 0.04 0.42 0.10 0.00 0.00 175.35 175.40 2akl s ILE 98 N 1.83 2.68 0.09 3.79 1.01 0.11 -4.84 121.20 125.88 2akl s ILE 98 Ca 0.08 -1.86 -0.37 0.00 0.00 0.00 0.00 60.65 58.50 2akl s ILE 98 Cb -0.17 -2.74 -0.17 0.00 0.01 0.00 0.00 42.46 39.39 2akl s ILE 98 CO 0.11 -0.36 1.31 0.47 0.00 0.00 0.00 174.94 176.47 2akl n ASP 99 N 4.47 1.51 0.00 3.58 8.00 -1.26 -0.91 116.55 131.93 2akl n ASP 99 Ca -0.06 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.56 2akl n ASP 99 Cb 0.42 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 2akl n ASP 99 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2akl n GLY 100 N 2.42 2.10 0.10 0.44 0.00 -1.26 -4.70 105.19 104.29 2akl n GLY 100 Ca 0.18 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 2akl n GLY 100 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2akl h ILE 101 N 0.00 1.55 0.00 -0.61 3.07 -1.99 -3.50 117.51 116.02 2akl h ILE 101 Ca 0.00 -2.46 0.00 0.00 1.55 0.00 0.00 64.86 63.95 2akl h ILE 101 Cb 0.00 3.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.76 2akl h ILE 101 CO 0.00 0.67 0.00 0.61 -1.05 0.00 0.00 178.15 178.38 2akl n GLY 102 N 1.65 0.51 3.89 0.16 0.00 -0.09 -5.04 105.19 106.27 2akl n GLY 102 Ca -0.14 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.28 3.46 0.16 4.61 0.00 -1.26 0.10 121.76 127.55 2akl s ALA 103 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 2akl s ALA 103 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.59 2akl s ALA 103 CO 0.00 -0.00 0.33 1.41 0.00 0.00 0.00 175.76 177.50 2akl s MET 104 N -3.95 1.18 -0.19 0.00 0.00 0.14 -4.90 119.30 111.58 2akl s MET 104 Ca 0.48 -1.08 0.00 0.00 0.00 0.00 0.00 55.69 55.09 2akl s MET 104 Cb -0.10 0.41 0.02 0.00 0.00 0.00 0.00 34.83 35.15 2akl s MET 104 CO 0.34 -0.45 -0.17 0.15 0.00 0.00 0.00 175.02 174.89 2akl s LYS 105 N -3.94 2.99 0.14 4.11 1.02 -1.25 -1.15 119.74 121.67 2akl s LYS 105 Ca 0.14 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.34 2akl s LYS 105 Cb 0.02 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 2akl s LYS 105 CO -0.02 -0.24 0.14 -0.51 -0.92 0.00 0.00 175.35 173.80 2akl s LEU 106 N 1.31 3.85 -0.37 3.17 1.43 -0.57 -4.87 118.68 122.63 2akl s LEU 106 Ca 0.04 -0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 52.81 2akl s LEU 106 Cb -0.14 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.63 2akl s LEU 106 CO -0.11 0.09 0.93 -0.75 0.23 0.00 0.00 176.35 176.74 2akl s LYS 107 N -2.96 3.84 0.30 1.70 2.47 -1.26 -1.70 119.74 122.13 2akl s LYS 107 Ca 0.31 0.58 0.03 0.00 -1.56 0.00 0.00 55.97 55.33 2akl s LYS 107 Cb -0.11 -3.81 0.63 0.00 -1.46 0.00 0.00 37.83 33.09 2akl s LYS 107 CO 0.24 -0.96 1.83 0.66 0.16 0.00 0.00 175.35 177.28 2akl h SER 108 N 8.49 0.86 0.08 1.43 4.64 -1.85 0.24 113.55 127.45 2akl h SER 108 Ca -0.23 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2akl h SER 108 Cb 1.08 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2akl h SER 108 CO 0.99 0.43 0.00 -0.62 -0.87 0.00 0.00 176.83 176.75 2akl n GLU 109 N -4.64 0.16 -0.00 4.77 1.02 -1.26 -0.53 120.64 120.16 2akl n GLU 109 Ca 0.20 0.13 0.02 0.00 -0.02 0.00 0.00 57.16 57.48 2akl n GLU 109 Cb 0.41 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.35 2akl n GLU 109 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2akl n PHE 110 N -1.17 0.01 -4.73 -0.32 3.72 0.81 -4.39 117.46 111.39 2akl n PHE 110 Ca 0.04 -0.04 -0.32 0.00 -0.05 0.00 0.00 57.45 57.09 2akl n PHE 110 Cb 0.05 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.33 1.10 -0.07 -4.37 -7.23 0.31 -1.02 120.40 108.80 2akl s VAL 111 Ca 0.04 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 2akl s VAL 111 Cb 0.03 -2.20 0.03 0.00 0.56 0.00 0.00 36.38 34.80 2akl s VAL 111 CO 0.04 0.00 0.16 -0.60 -0.31 0.00 0.00 175.10 174.39 2akl s ARG 112 N -3.85 0.13 -0.01 4.82 3.52 0.15 -2.47 118.95 121.24 2akl s ARG 112 Ca 0.08 0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.73 2akl s ARG 112 Cb 0.02 -0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 33.25 2akl s ARG 112 CO 0.05 -0.12 1.68 0.21 -0.81 0.00 0.00 175.30 176.30 2akl s LYS 113 N 0.85 4.18 0.01 5.12 2.20 -1.26 0.56 119.74 131.40 2akl s LYS 113 Ca -0.06 2.26 -0.13 0.00 -0.36 0.00 0.00 55.97 57.67 2akl s LYS 113 Cb -0.08 -3.91 -0.07 0.00 -1.51 0.00 0.00 37.83 32.26 2akl s LYS 113 CO -0.04 -0.82 0.92 0.28 -0.36 0.00 0.00 175.35 175.32 2akl h VAL 114 N 5.39 0.00 -0.06 4.02 2.07 -1.66 -3.47 116.25 122.54 2akl h VAL 114 Ca -0.41 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2akl h VAL 114 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2akl h VAL 114 CO 0.94 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.14 2akl n GLY 115 N -0.43 1.49 0.00 2.17 0.00 -1.26 -5.10 105.19 102.05 2akl n GLY 115 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76