#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2akl n VAL 2 N 0.00 -1.64 -4.11 3.17 0.31 -1.26 -4.93 118.33 109.86 2akl n VAL 2 Ca 0.00 -0.03 -0.36 0.00 -0.01 0.00 0.00 64.34 63.94 2akl n VAL 2 Cb 0.00 -2.33 -0.08 0.00 -0.91 0.00 0.00 33.84 30.52 2akl n VAL 2 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2akl s SER 3 N -3.34 5.83 -0.38 4.52 0.01 -1.26 -4.99 113.70 114.09 2akl s SER 3 Ca 0.67 0.30 0.06 0.00 1.31 0.00 0.00 55.95 58.30 2akl s SER 3 Cb -0.35 -1.79 0.57 0.00 0.21 0.00 0.00 66.02 64.66 2akl s SER 3 CO 0.88 0.38 1.67 0.35 0.41 0.00 0.00 173.24 176.93 2akl n THR 4 N 2.12 2.88 -1.94 1.44 -2.24 -1.26 -5.02 114.28 110.26 2akl n THR 4 Ca -0.19 -2.48 -0.38 0.00 -2.27 0.00 0.00 64.05 58.73 2akl n THR 4 Cb 0.54 -0.45 0.02 0.00 -2.10 0.00 0.00 70.33 68.35 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 -3.31 3.93 0.82 3.22 1.43 -1.26 -4.99 118.68 118.52 2akl s LEU 5 Ca 0.51 2.63 -0.11 0.00 -1.03 0.00 0.00 54.13 56.13 2akl s LEU 5 Cb 0.44 -4.23 0.09 0.00 0.03 0.00 0.00 46.19 42.52 2akl s LEU 5 CO 0.04 -1.32 1.10 -2.16 0.23 0.00 0.00 176.35 174.24 2akl s PRO 6 N -2.79 1.82 0.00 1.29 0.04 -1.26 -5.06 135.00 129.05 2akl s PRO 6 Ca 0.68 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2akl s PRO 6 Cb -0.37 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2akl s PRO 6 CO 0.44 -1.93 0.00 -2.30 0.04 0.00 0.00 177.00 173.25 2akl n PRO 7 N -3.71 -0.32 -3.64 0.56 -0.02 -1.26 -4.88 135.00 121.73 2akl n PRO 7 Ca 0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 2akl n PRO 7 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.94 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 3.68 0.65 -0.00 0.00 -0.04 -1.26 0.08 135.00 138.10 2akl n PRO 9 Ca -0.14 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.31 2akl n PRO 9 Cb 0.52 -1.08 -0.00 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.58 0.62 -0.07 0.54 6.02 -1.26 -4.89 117.38 117.77 2akl n GLN 10 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 2akl n GLN 10 Cb 0.01 -1.02 -0.05 0.00 1.02 0.00 0.00 30.24 30.21 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 -3.81 -1.37 0.00 0.00 2.85 0.11 -4.94 115.26 108.11 2akl n ASN 12 Ca -0.25 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 2akl n ASN 12 Cb 0.60 -1.26 0.00 0.00 1.24 0.00 0.00 39.78 40.36 2akl n ASN 12 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2akl n SER 13 N -0.13 0.00 0.00 1.20 7.64 -1.26 -4.72 113.62 116.35 2akl n SER 13 Ca 0.00 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2akl n SER 13 Cb 0.07 -0.10 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 -0.83 0.00 -0.24 1.43 0.28 -1.26 -5.01 120.64 115.02 2akl n GLU 14 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 2akl n GLU 14 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 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 0.28 -3.38 -1.84 4.01 -1.26 -4.80 117.16 110.18 2akl n TYR 15 Ca 0.00 -0.78 -0.38 0.00 -0.16 0.00 0.00 57.90 56.58 2akl n TYR 15 Cb 0.00 -0.39 -0.06 0.00 -0.31 0.00 0.00 39.34 38.58 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 -0.34 5.04 0.22 -0.72 2.01 -1.26 -4.00 115.64 116.59 2akl s THR 16 Ca 0.05 0.96 -0.05 0.00 0.31 0.00 0.00 61.69 62.97 2akl s THR 16 Cb 0.04 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2akl s THR 16 CO 0.01 0.47 0.24 -0.72 -0.69 0.00 0.00 174.62 173.92 2akl s TYR 17 N -0.36 0.92 -0.29 4.92 1.13 -1.11 -5.00 117.35 117.56 2akl s TYR 17 Ca 0.26 -1.18 -0.13 0.00 -1.41 0.00 0.00 57.07 54.61 2akl s TYR 17 Cb -0.17 -0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 40.32 2akl s TYR 17 CO 0.13 -0.75 0.26 -1.83 -2.51 0.00 0.00 175.55 170.85 2akl s GLU 18 N -4.11 3.87 -0.56 -3.49 -1.05 -1.26 -1.64 118.70 110.46 2akl s GLU 18 Ca 0.34 -0.28 0.04 0.00 -0.15 0.00 0.00 54.97 54.91 2akl s GLU 18 Cb 0.05 -3.69 0.15 0.00 -0.44 0.00 0.00 34.13 30.19 2akl s GLU 18 CO 0.11 -0.27 0.34 0.34 0.95 0.00 0.00 175.26 176.73 2akl s ASP 19 N 1.72 4.16 0.47 0.83 2.15 -1.15 -4.96 116.67 119.89 2akl s ASP 19 Ca 0.09 -3.21 0.00 0.00 0.43 0.00 0.00 52.55 49.86 2akl s ASP 19 Cb -0.16 -1.44 0.00 0.00 -0.30 0.00 0.00 42.92 41.02 2akl s ASP 19 CO 0.11 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 2akl n GLY 20 N 2.81 1.32 0.86 2.66 0.00 -1.26 -3.99 105.19 107.58 2akl n GLY 20 Ca 0.12 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 4.52 2.90 -3.45 4.61 0.00 -1.26 -5.00 120.51 122.83 2akl n ALA 21 Ca 0.00 -2.18 -0.02 0.00 0.00 0.00 0.00 53.44 51.23 2akl n ALA 21 Cb 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.41 0.00 -4.49 0.00 -0.00 -1.26 -5.01 117.00 105.84 2akl n LEU 22 Ca 0.20 -1.38 -0.34 0.00 -0.00 0.00 0.00 56.01 54.50 2akl n LEU 22 Cb 0.84 1.79 -0.12 0.00 -0.00 0.00 0.00 43.42 45.93 2akl n LEU 22 CO 0.14 -0.41 -0.37 -0.76 -0.00 0.00 0.00 177.39 175.99 2akl s LEU 23 N 0.00 3.15 -0.16 1.47 1.43 -0.50 -2.94 118.68 121.13 2akl s LEU 23 Ca 0.10 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2akl s LEU 23 Cb -0.02 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 2akl s LEU 23 CO 0.08 0.19 -0.13 -0.69 0.23 0.00 0.00 176.35 176.03 2akl s VAL 24 N 0.21 2.89 -0.46 -1.59 1.01 -0.65 -0.79 120.40 121.01 2akl s VAL 24 Ca -0.03 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 2akl s VAL 24 Cb -0.14 -2.23 0.09 0.00 0.00 0.00 0.00 36.38 34.10 2akl s VAL 24 CO 0.03 0.50 0.34 0.00 0.00 0.00 0.00 175.10 175.98 2akl h PRO 26 N 8.56 0.00 -0.41 0.00 0.13 -1.85 -0.22 132.00 138.21 2akl h PRO 26 Ca -0.25 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 2akl h PRO 26 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2akl h PRO 26 CO 0.85 0.00 0.12 1.49 -0.23 0.00 0.00 178.00 180.23 2akl h GLU 27 N 0.00 0.65 -0.07 0.86 4.81 -1.90 -3.14 114.58 115.79 2akl h GLU 27 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2akl h GLU 27 Cb 0.38 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2akl h GLU 27 CO 0.00 0.65 0.00 0.00 -0.73 0.00 0.00 179.01 178.93 2akl n ALA 29 N -0.46 -1.82 -3.64 0.00 0.00 -0.17 -5.01 120.51 109.42 2akl n ALA 29 Ca 0.05 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 2akl n ALA 29 Cb 0.36 -3.12 -0.14 0.00 0.00 0.00 0.00 19.45 16.55 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 -3.41 -0.16 0.13 0.00 5.04 -0.76 -5.02 115.29 111.10 2akl s HIS 30 Ca 0.17 0.47 -0.12 0.00 -1.54 0.00 0.00 55.06 54.04 2akl s HIS 30 Cb -0.08 -0.06 -0.07 0.00 0.04 0.00 0.00 32.58 32.41 2akl s HIS 30 CO 0.75 -0.15 0.49 -1.21 -2.34 0.00 0.00 174.74 172.29 2akl s GLU 31 N 1.02 3.89 0.12 2.88 8.01 -1.26 -1.97 118.70 131.39 2akl s GLU 31 Ca -0.08 0.36 -0.12 0.00 0.01 0.00 0.00 54.97 55.14 2akl s GLU 31 Cb -0.10 -2.94 0.01 0.00 -4.31 0.00 0.00 34.13 26.80 2akl s GLU 31 CO -0.05 0.50 0.30 1.67 0.01 0.00 0.00 175.26 177.69 2akl s TRP 32 N -1.46 0.03 -0.15 1.61 1.48 0.03 -4.97 118.94 115.51 2akl s TRP 32 Ca 0.37 -0.40 0.01 0.00 -1.06 0.00 0.00 56.10 55.01 2akl s TRP 32 Cb -0.14 0.09 0.01 0.00 -1.16 0.00 0.00 33.47 32.26 2akl s TRP 32 CO 0.19 -0.65 -0.18 0.45 -4.06 0.00 0.00 176.95 172.70 2akl s SER 33 N -2.85 3.39 0.62 -2.66 0.15 -1.26 -1.40 113.70 109.68 2akl s SER 33 Ca 0.06 -0.54 0.34 0.00 0.70 0.00 0.00 55.95 56.50 2akl s SER 33 Cb 0.03 -1.51 1.91 0.00 -1.71 0.00 0.00 66.02 64.75 2akl s SER 33 CO -0.09 0.07 2.19 1.55 1.20 0.00 0.00 173.24 178.16 2akl h PRO 34 N 7.41 0.00 0.00 5.44 0.13 -1.96 -1.57 132.00 141.45 2akl h PRO 34 Ca -0.34 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.64 2akl h PRO 34 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2akl h PRO 34 CO 0.57 0.00 -1.47 0.09 -0.23 0.00 0.00 178.00 176.96 2akl n ASN 35 N -3.49 1.89 0.27 1.44 4.13 -1.26 -4.60 115.26 113.64 2akl n ASN 35 Ca -0.01 0.32 0.17 0.00 1.68 0.00 0.00 54.58 56.74 2akl n ASN 35 Cb 0.21 -0.74 0.76 0.00 -1.54 0.00 0.00 39.78 38.47 2akl n ASN 35 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2akl h GLU 36 N -0.95 0.00 0.55 3.52 4.81 -1.57 0.11 114.58 121.05 2akl h GLU 36 Ca -0.23 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 2akl h GLU 36 Cb 1.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.55 2akl h GLU 36 CO -0.14 0.00 -0.26 0.00 -0.73 0.00 0.00 179.01 177.88 2akl h ALA 37 N 2.04 -0.73 0.07 2.92 0.00 -1.53 -3.36 119.26 118.66 2akl h ALA 37 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 2akl h ALA 37 Cb 0.37 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2akl h ALA 37 CO 0.00 -0.85 -1.09 0.00 0.00 0.00 0.00 179.25 177.31 2akl h ALA 38 N -0.48 0.15 -2.84 0.00 0.00 -1.75 -3.48 119.26 110.87 2akl h ALA 38 Ca -0.07 -0.99 -0.61 0.00 0.00 0.00 0.00 54.91 53.23 2akl h ALA 38 Cb 0.61 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 2akl h ALA 38 CO 0.12 0.62 -0.71 0.99 0.00 0.00 0.00 179.25 180.28 2akl s THR 39 N -2.40 3.24 0.39 0.00 2.01 0.38 -5.11 115.64 114.14 2akl s THR 39 Ca -0.21 -1.71 -0.24 0.00 0.31 0.00 0.00 61.69 59.83 2akl s THR 39 Cb 0.03 -2.63 -0.09 0.00 0.01 0.00 0.00 72.50 69.82 2akl s THR 39 CO 0.72 -0.16 1.02 0.00 -0.69 0.00 0.00 174.62 175.50 2akl s ALA 40 N -1.84 3.11 -1.74 7.40 0.00 -1.26 -3.44 121.76 123.99 2akl s ALA 40 Ca 0.26 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.88 2akl s ALA 40 Cb -0.08 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 19.86 2akl s ALA 40 CO 0.16 -0.10 0.94 0.43 0.00 0.00 0.00 175.76 177.19 2akl n SER 41 N 0.01 0.62 -4.70 0.00 7.64 -1.26 -4.75 113.62 111.17 2akl n SER 41 Ca 0.05 -2.02 -0.34 0.00 1.01 0.00 0.00 58.87 57.56 2akl n SER 41 Cb 0.50 -0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.77 5.28 0.00 6.43 2.15 -1.26 -4.98 116.67 123.52 2akl s ASP 42 Ca 0.05 0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.14 2akl s ASP 42 Cb 0.03 -1.47 0.00 0.00 -0.30 0.00 0.00 42.92 41.18 2akl s ASP 42 CO 0.03 0.34 0.00 -0.67 -0.17 0.00 0.00 175.17 174.70 2akl n ASP 43 N 1.84 0.00 0.00 -0.34 -0.08 -1.26 -5.07 116.55 111.64 2akl n ASP 43 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 2akl n ASP 43 Cb 0.53 0.08 0.00 0.00 2.34 0.00 0.00 41.12 44.07 2akl n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2akl n GLY 44 N -0.76 1.10 3.61 0.27 0.00 -1.26 -5.08 105.19 103.07 2akl n GLY 44 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 3.88 0.06 1.61 1.02 -1.26 -5.02 119.74 120.02 2akl s LYS 45 Ca 0.00 0.56 0.05 0.00 0.02 0.00 0.00 55.97 56.59 2akl s LYS 45 Cb 0.00 -3.77 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 2akl s LYS 45 CO 0.00 -0.83 -0.13 0.08 -0.92 0.00 0.00 175.35 173.55 2akl s VAL 46 N 3.23 1.02 -0.11 3.17 1.01 -1.26 -4.85 120.40 122.61 2akl s VAL 46 Ca 0.35 -1.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 2akl s VAL 46 Cb -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2akl s VAL 46 CO 0.16 -0.22 0.11 -0.63 0.00 0.00 0.00 175.10 174.52 2akl s ILE 47 N -1.23 5.28 0.57 2.22 -1.09 -1.26 -4.68 121.20 121.01 2akl s ILE 47 Ca -0.03 0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.57 2akl s ILE 47 Cb -0.10 -3.29 0.06 0.00 -1.58 0.00 0.00 42.46 37.56 2akl s ILE 47 CO 0.02 0.61 0.53 -0.54 -1.23 0.00 0.00 174.94 174.33 2akl s LYS 48 N -1.02 2.24 0.51 2.79 3.01 -1.25 -2.24 119.74 123.77 2akl s LYS 48 Ca 0.15 -1.96 0.00 0.00 -1.01 0.00 0.00 55.97 53.15 2akl s LYS 48 Cb -0.12 -2.23 -0.00 0.00 -1.01 0.00 0.00 37.83 34.47 2akl s LYS 48 CO 0.04 -0.75 0.00 -0.25 0.51 0.00 0.00 175.35 174.90 2akl n ASP 49 N -1.94 3.35 0.00 2.83 8.00 -0.42 -4.63 116.55 123.73 2akl n ASP 49 Ca 0.03 -3.24 0.11 0.00 0.71 0.00 0.00 54.79 52.41 2akl n ASP 49 Cb 0.64 0.38 0.57 0.00 -0.02 0.00 0.00 41.12 42.69 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 -1.32 0.00 0.04 -2.24 2.88 -0.96 -2.22 113.62 109.81 2akl n SER 50 Ca -0.21 0.05 0.11 0.00 -1.33 0.00 0.00 58.87 57.49 2akl n SER 50 Cb 0.65 -0.32 0.05 0.00 -0.75 0.00 0.00 64.21 63.83 2akl n SER 50 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2akl n VAL 51 N -1.32 0.26 -0.37 2.46 0.31 -1.26 -4.94 118.33 113.46 2akl n VAL 51 Ca 0.10 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2akl n VAL 51 Cb 0.20 0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 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 1.33 0.80 3.92 2.92 0.00 -0.94 -5.05 105.19 108.16 2akl n GLY 52 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.98 6.14 -0.08 1.61 6.03 -1.26 -4.78 114.94 119.61 2akl s ASN 53 Ca 0.00 0.78 0.03 0.00 -1.03 0.00 0.00 52.86 52.64 2akl s ASN 53 Cb 0.00 -2.08 -0.02 0.00 -3.03 0.00 0.00 41.25 36.12 2akl s ASN 53 CO 0.00 -0.62 -0.15 -0.69 -2.03 0.00 0.00 177.10 173.60 2akl s VAL 54 N -2.71 2.90 0.48 3.54 1.01 -1.26 -1.31 120.40 123.06 2akl s VAL 54 Ca 0.47 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.77 2akl s VAL 54 Cb -0.10 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.19 2akl s VAL 54 CO 0.43 0.56 0.57 0.18 0.00 0.00 0.00 175.10 176.85 2akl n LEU 55 N 2.88 0.00 -4.22 3.92 4.32 -0.95 -5.03 117.00 117.92 2akl n LEU 55 Ca -0.18 -2.22 -0.14 0.00 -0.02 0.00 0.00 56.01 53.45 2akl n LEU 55 Cb 0.52 -0.25 -0.10 0.00 -1.62 0.00 0.00 43.42 41.96 2akl n LEU 55 CO 0.27 -0.63 -0.42 -1.58 -1.22 0.00 0.00 177.39 173.82 2akl s GLN 56 N -4.12 0.97 0.15 3.23 0.74 -1.26 -4.74 119.66 114.63 2akl s GLN 56 Ca 0.43 -1.32 -0.30 0.00 0.05 0.00 0.00 55.36 54.22 2akl s GLN 56 Cb -0.03 -0.60 -0.07 0.00 1.10 0.00 0.00 33.01 33.40 2akl s GLN 56 CO 0.28 0.08 1.17 0.16 -0.55 0.00 0.00 175.29 176.43 2akl s ASP 57 N -2.84 7.13 0.00 6.67 -4.77 -1.26 -2.06 116.67 119.54 2akl s ASP 57 Ca 0.12 2.13 0.00 0.00 -3.30 0.00 0.00 52.55 51.50 2akl s ASP 57 Cb 0.00 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 2akl s ASP 57 CO 0.00 -0.36 0.00 0.61 0.70 0.00 0.00 175.17 176.12 2akl n GLY 58 N 2.44 1.45 3.77 2.12 0.00 0.13 -4.92 105.19 110.18 2akl n GLY 58 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.99 3.48 -0.13 1.61 2.15 -0.87 -2.94 116.67 116.98 2akl s ASP 59 Ca 0.00 1.05 -0.05 0.00 0.43 0.00 0.00 52.55 53.98 2akl s ASP 59 Cb 0.00 -1.66 -0.04 0.00 -0.30 0.00 0.00 42.92 40.92 2akl s ASP 59 CO 0.00 -2.58 0.04 -0.89 -0.17 0.00 0.00 175.17 171.57 2akl s THR 60 N -3.21 4.61 0.35 1.71 2.01 -1.25 -0.42 115.64 119.44 2akl s THR 60 Ca 0.64 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.58 2akl s THR 60 Cb -0.15 -3.00 -0.07 0.00 0.01 0.00 0.00 72.50 69.28 2akl s THR 60 CO 0.54 0.55 0.01 0.27 -0.69 0.00 0.00 174.62 175.31 2akl s ILE 61 N -0.41 1.64 -0.19 1.82 -5.25 0.48 -2.22 121.20 117.07 2akl s ILE 61 Ca 0.09 -2.03 -0.05 0.00 -0.99 0.00 0.00 60.65 57.66 2akl s ILE 61 Cb -0.12 -2.82 0.09 0.00 2.95 0.00 0.00 42.46 42.56 2akl s ILE 61 CO 0.02 -0.05 0.36 -0.89 -1.79 0.00 0.00 174.94 172.58 2akl s THR 62 N -2.98 -0.56 0.21 8.37 2.01 0.25 -1.65 115.64 121.28 2akl s THR 62 Ca 0.35 0.15 -0.31 0.00 0.31 0.00 0.00 61.69 62.19 2akl s THR 62 Cb 0.08 -0.62 -0.11 0.00 0.01 0.00 0.00 72.50 71.86 2akl s THR 62 CO 0.16 0.04 1.63 0.54 -0.69 0.00 0.00 174.62 176.30 2akl s VAL 63 N 2.53 2.28 -0.79 3.82 0.11 -1.15 0.05 120.40 127.26 2akl s VAL 63 Ca 0.02 0.21 0.17 0.00 -2.93 0.00 0.00 61.98 59.45 2akl s VAL 63 Cb -0.13 -3.13 0.77 0.00 -1.53 0.00 0.00 36.38 32.36 2akl s VAL 63 CO -0.12 0.02 1.69 2.30 -3.33 0.00 0.00 175.10 175.66 2akl n ILE 64 N 3.56 2.23 -4.15 7.04 -0.00 -0.43 -0.09 119.36 127.51 2akl n ILE 64 Ca 0.13 -1.29 -0.11 0.00 -0.00 0.00 0.00 62.75 61.49 2akl n ILE 64 Cb 0.37 -0.04 -0.10 0.00 -0.00 0.00 0.00 39.64 39.87 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 -2.22 0.78 -0.57 6.28 3.01 -1.25 -4.76 119.74 121.00 2akl s LYS 65 Ca 0.53 -1.23 -0.24 0.00 -1.01 0.00 0.00 55.97 54.02 2akl s LYS 65 Cb 0.37 -0.23 0.04 0.00 -1.01 0.00 0.00 37.83 37.00 2akl s LYS 65 CO 0.22 -0.00 0.97 0.16 0.51 0.00 0.00 175.35 177.20 2akl s ASP 66 N -2.78 6.32 0.08 2.83 -4.77 -1.26 -2.37 116.67 114.71 2akl s ASP 66 Ca 0.08 -0.41 0.10 0.00 -3.30 0.00 0.00 52.55 49.02 2akl s ASP 66 Cb 0.02 -2.45 -0.03 0.00 -1.09 0.00 0.00 42.92 39.38 2akl s ASP 66 CO -0.04 -1.29 -0.27 -0.76 0.70 0.00 0.00 175.17 173.51 2akl s LEU 67 N 4.09 2.23 0.80 2.11 1.43 0.16 -5.01 118.68 124.49 2akl s LEU 67 Ca 0.30 -0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2akl s LEU 67 Cb -0.13 -1.26 0.13 0.00 0.03 0.00 0.00 46.19 44.96 2akl s LEU 67 CO 0.18 0.23 1.11 -1.59 0.23 0.00 0.00 176.35 176.51 2akl s LYS 68 N -1.54 1.51 -0.11 1.70 -2.85 -1.26 0.78 119.74 117.96 2akl s LYS 68 Ca 0.13 -0.58 0.03 0.00 -1.00 0.00 0.00 55.97 54.55 2akl s LYS 68 Cb -0.10 -2.11 0.00 0.00 -2.06 0.00 0.00 37.83 33.56 2akl s LYS 68 CO 0.04 -1.70 -0.22 0.08 0.10 0.00 0.00 175.35 173.64 2akl s VAL 69 N -3.43 1.95 -0.37 1.79 1.01 -1.14 -4.56 120.40 115.65 2akl s VAL 69 Ca 0.67 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 2akl s VAL 69 Cb -0.07 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2akl s VAL 69 CO 0.47 0.53 0.59 -0.75 0.00 0.00 0.00 175.10 175.95 2akl s LYS 70 N 0.49 3.57 0.00 2.72 2.47 -1.26 -3.73 119.74 124.00 2akl s LYS 70 Ca -0.16 -0.11 0.00 0.00 -1.56 0.00 0.00 55.97 54.14 2akl s LYS 70 Cb -0.17 -3.84 0.00 0.00 -1.46 0.00 0.00 37.83 32.36 2akl s LYS 70 CO 0.06 -0.76 0.00 0.41 0.16 0.00 0.00 175.35 175.22 2akl n GLY 71 N 4.79 2.62 3.56 5.54 0.00 -1.26 -5.07 105.19 115.37 2akl n GLY 71 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.39 4.10 0.00 1.61 0.01 -1.24 -5.02 113.70 111.77 2akl s SER 72 Ca 0.00 -0.75 0.18 0.00 1.31 0.00 0.00 55.95 56.69 2akl s SER 72 Cb 0.00 -0.61 0.71 0.00 0.21 0.00 0.00 66.02 66.33 2akl s SER 72 CO 0.00 0.05 1.50 -1.54 0.41 0.00 0.00 173.24 173.67 2akl n SER 73 N -0.46 1.35 -4.75 2.44 3.41 -1.26 -4.64 113.62 109.70 2akl n SER 73 Ca -0.08 -1.72 -0.40 0.00 -0.26 0.00 0.00 58.87 56.41 2akl n SER 73 Cb 0.58 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 2akl n SER 73 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2akl s LEU 74 N -1.45 4.51 -0.14 1.04 1.02 -1.26 -5.02 118.68 117.37 2akl s LEU 74 Ca 0.29 1.58 -0.05 0.00 0.02 0.00 0.00 54.13 55.96 2akl s LEU 74 Cb 0.15 -3.31 -0.04 0.00 0.02 0.00 0.00 46.19 43.01 2akl s LEU 74 CO 0.23 0.08 0.05 -0.69 0.02 0.00 0.00 176.35 176.03 2akl s VAL 75 N -0.46 4.72 -0.64 -1.59 1.01 -1.26 -2.87 120.40 119.31 2akl s VAL 75 Ca 0.39 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 2akl s VAL 75 Cb -0.22 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.14 2akl s VAL 75 CO 0.25 0.54 1.02 -0.69 0.00 0.00 0.00 175.10 176.22 2akl s VAL 76 N -0.26 4.22 0.04 2.92 1.01 0.23 -4.96 120.40 123.60 2akl s VAL 76 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2akl s VAL 76 Cb -0.12 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 2akl s VAL 76 CO 0.02 -1.44 0.14 -1.59 0.00 0.00 0.00 175.10 172.23 2akl s LYS 77 N 4.37 3.18 -0.79 2.72 0.00 -1.26 0.40 119.74 128.35 2akl s LYS 77 Ca 0.27 -0.51 -0.25 0.00 0.00 0.00 0.00 55.97 55.48 2akl s LYS 77 Cb -0.14 -2.91 -0.17 0.00 0.00 0.00 0.00 37.83 34.61 2akl s LYS 77 CO 0.14 0.61 2.48 1.55 0.00 0.00 0.00 175.35 180.13 2akl n VAL 78 N 0.63 -0.03 0.00 1.79 3.14 -1.00 0.15 118.33 123.01 2akl n VAL 78 Ca -0.09 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 2akl n VAL 78 Cb 0.52 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 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 6.23 0.15 3.57 7.55 0.00 0.88 -4.94 105.19 118.63 2akl n GLY 79 Ca 0.53 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.00 3.10 -0.41 2.61 2.01 0.12 -4.84 115.64 117.23 2akl s THR 80 Ca 0.00 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.87 2akl s THR 80 Cb 0.00 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.33 2akl s THR 80 CO 0.00 -0.17 0.67 -0.75 -0.69 0.00 0.00 174.62 173.68 2akl s LYS 81 N 7.29 3.46 -0.23 4.92 2.20 -1.26 -2.92 119.74 133.20 2akl s LYS 81 Ca 0.93 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 2akl s LYS 81 Cb -0.22 -3.89 0.03 0.00 -1.51 0.00 0.00 37.83 32.24 2akl s LYS 81 CO 0.29 -0.92 -0.11 0.08 -0.36 0.00 0.00 175.35 174.32 2akl s VAL 82 N 2.87 2.49 0.06 4.02 1.01 -0.66 -4.98 120.40 125.21 2akl s VAL 82 Ca 0.25 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2akl s VAL 82 Cb -0.14 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2akl s VAL 82 CO 0.18 0.26 0.17 -1.59 0.00 0.00 0.00 175.10 174.11 2akl s LYS 83 N 1.27 3.26 -0.68 2.72 -2.85 -1.26 -0.39 119.74 121.80 2akl s LYS 83 Ca -0.00 -0.52 -0.01 0.00 -1.00 0.00 0.00 55.97 54.44 2akl s LYS 83 Cb -0.16 -2.94 0.00 0.00 -2.06 0.00 0.00 37.83 32.67 2akl s LYS 83 CO -0.07 0.60 0.57 0.09 0.10 0.00 0.00 175.35 176.64 2akl n ASN 84 N 0.37 -2.49 -3.11 0.03 3.02 0.44 -4.83 115.26 108.69 2akl n ASN 84 Ca -0.06 -0.34 -0.17 0.00 -0.03 0.00 0.00 54.58 53.98 2akl n ASN 84 Cb 0.51 -3.06 0.15 0.00 -0.61 0.00 0.00 39.78 36.77 2akl n ASN 84 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2akl n ILE 85 N -2.96 0.00 -4.02 2.41 -5.35 -0.89 -4.47 119.36 104.08 2akl n ILE 85 Ca -0.13 -0.18 -0.19 0.00 -0.27 0.00 0.00 62.75 61.98 2akl n ILE 85 Cb 0.58 -0.94 -0.16 0.00 -1.74 0.00 0.00 39.64 37.38 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 -4.32 0.54 -0.18 6.28 6.06 0.30 0.23 118.95 127.84 2akl s ARG 86 Ca 0.39 0.00 -0.26 0.00 -2.50 0.00 0.00 55.73 53.36 2akl s ARG 86 Cb -0.05 -0.66 -0.01 0.00 0.06 0.00 0.00 34.95 34.30 2akl s ARG 86 CO 0.31 -0.12 0.89 -0.51 -2.50 0.00 0.00 175.30 173.37 2akl s LEU 87 N 1.03 4.15 0.56 -0.88 1.43 -1.26 -1.21 118.68 122.50 2akl s LEU 87 Ca -0.10 1.24 0.09 0.00 -1.03 0.00 0.00 54.13 54.33 2akl s LEU 87 Cb -0.14 -3.33 0.08 0.00 0.03 0.00 0.00 46.19 42.83 2akl s LEU 87 CO -0.01 -0.48 0.72 0.68 0.23 0.00 0.00 176.35 177.49 2akl s VAL 88 N 2.45 2.10 -0.96 -1.59 -7.23 -1.16 -4.96 120.40 109.05 2akl s VAL 88 Ca 0.40 -1.09 -0.24 0.00 -1.81 0.00 0.00 61.98 59.25 2akl s VAL 88 Cb -0.16 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.64 2akl s VAL 88 CO 0.11 0.00 1.42 1.51 -0.31 0.00 0.00 175.10 177.83 2akl s ASP 89 N -4.59 6.42 0.00 4.85 -4.77 -1.26 -4.73 116.67 112.60 2akl s ASP 89 Ca 0.57 -1.25 0.00 0.00 -3.30 0.00 0.00 52.55 48.57 2akl s ASP 89 Cb -0.05 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 2akl s ASP 89 CO 0.36 -1.58 0.00 0.61 0.70 0.00 0.00 175.17 175.25 2akl n GLY 90 N 6.60 -1.69 0.08 2.12 0.00 -1.26 -5.00 105.19 106.03 2akl n GLY 90 Ca 0.27 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 1.90 0.58 -2.87 1.61 2.03 -1.26 -4.36 116.55 114.18 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 1.02 0.02 0.00 -0.72 0.00 0.00 41.12 41.43 2akl n ASP 91 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2akl n HIS 92 N -2.62 3.20 -3.45 -0.67 8.25 -1.26 -3.77 115.22 114.89 2akl n HIS 92 Ca -0.27 -2.76 -0.25 0.00 -0.26 0.00 0.00 57.72 54.18 2akl n HIS 92 Cb 1.04 -0.77 -0.11 0.00 1.12 0.00 0.00 29.99 31.27 2akl n HIS 92 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2akl s ASP 93 N -2.13 2.55 -0.22 0.41 1.11 -1.26 -4.38 116.67 112.74 2akl s ASP 93 Ca 0.49 -1.72 0.01 0.00 0.18 0.00 0.00 52.55 51.51 2akl s ASP 93 Cb 0.38 -0.08 0.05 0.00 1.07 0.00 0.00 42.92 44.34 2akl s ASP 93 CO -0.28 -0.33 -0.09 -0.63 1.18 0.00 0.00 175.17 175.02 2akl s ILE 94 N 1.50 1.66 -0.12 0.77 1.01 -1.17 -2.96 121.20 121.89 2akl s ILE 94 Ca 0.15 -1.16 -0.13 0.00 0.00 0.00 0.00 60.65 59.51 2akl s ILE 94 Cb -0.19 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 2akl s ILE 94 CO -0.11 0.05 0.29 -0.62 0.00 0.00 0.00 174.94 174.55 2akl s ASP 95 N 1.36 6.51 -0.01 3.58 2.15 -0.35 -1.43 116.67 128.48 2akl s ASP 95 Ca -0.04 0.60 -0.05 0.00 0.43 0.00 0.00 52.55 53.48 2akl s ASP 95 Cb -0.18 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2akl s ASP 95 CO -0.07 0.20 0.11 0.00 -0.17 0.00 0.00 175.17 175.24 2akl s LYS 97 N -0.87 3.83 -0.24 0.00 2.20 -1.26 -0.77 119.74 122.63 2akl s LYS 97 Ca -0.10 -0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 55.08 2akl s LYS 97 Cb -0.06 -3.09 0.07 0.00 -1.51 0.00 0.00 37.83 33.25 2akl s LYS 97 CO 0.01 0.25 0.02 0.42 -0.36 0.00 0.00 175.35 175.68 2akl s ILE 98 N 0.40 1.03 -0.80 5.43 1.01 -0.65 -4.94 121.20 122.68 2akl s ILE 98 Ca -0.00 -1.06 -0.26 0.00 0.00 0.00 0.00 60.65 59.34 2akl s ILE 98 Cb -0.13 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.84 2akl s ILE 98 CO 0.01 -0.29 1.55 -1.81 0.00 0.00 0.00 174.94 174.40 2akl s ASP 99 N 1.60 5.89 0.00 3.58 1.01 -1.26 -1.32 116.67 126.17 2akl s ASP 99 Ca 0.00 -0.55 0.00 0.00 0.71 0.00 0.00 52.55 52.71 2akl s ASP 99 Cb -0.18 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.20 2akl s ASP 99 CO -0.11 -2.01 0.00 0.61 0.21 0.00 0.00 175.17 173.86 2akl n GLY 100 N 6.04 -0.57 0.13 0.21 0.00 -1.26 -4.93 105.19 104.81 2akl n GLY 100 Ca 0.20 0.35 -0.21 0.00 0.00 0.00 0.00 46.02 46.36 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 1.53 -0.70 -0.61 -5.35 -1.22 -5.12 119.36 107.90 2akl n ILE 101 Ca 0.00 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 2akl n ILE 101 Cb 0.00 -1.56 0.00 0.00 -1.74 0.00 0.00 39.64 36.34 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 2.01 0.66 3.79 3.28 0.00 -0.43 -5.07 105.19 109.42 2akl n GLY 102 Ca -0.46 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.00 3.16 0.08 4.61 0.00 -1.26 -1.63 121.76 125.72 2akl s ALA 103 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.49 2akl s ALA 103 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 2akl s ALA 103 CO 0.00 0.14 -0.08 1.41 0.00 0.00 0.00 175.76 177.24 2akl s MET 104 N -2.34 0.73 -0.02 0.00 0.00 0.05 -4.92 119.30 112.79 2akl s MET 104 Ca 0.53 -1.09 0.03 0.00 0.00 0.00 0.00 55.69 55.16 2akl s MET 104 Cb -0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 34.83 34.32 2akl s MET 104 CO 0.21 0.03 -0.08 -1.59 0.00 0.00 0.00 175.02 173.60 2akl s LYS 105 N -2.80 2.59 -0.02 4.11 0.00 -1.26 -1.81 119.74 120.56 2akl s LYS 105 Ca 0.03 -0.67 0.06 0.00 0.00 0.00 0.00 55.97 55.38 2akl s LYS 105 Cb -0.02 -2.51 -0.01 0.00 0.00 0.00 0.00 37.83 35.29 2akl s LYS 105 CO -0.02 0.62 -0.20 -0.51 0.00 0.00 0.00 175.35 175.25 2akl s LEU 106 N -1.18 2.03 -0.28 2.77 1.43 -0.51 -5.00 118.68 117.94 2akl s LEU 106 Ca 0.15 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 2akl s LEU 106 Cb -0.11 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.09 2akl s LEU 106 CO 0.05 0.24 1.24 -0.54 0.23 0.00 0.00 176.35 177.56 2akl s LYS 107 N -0.41 4.02 0.30 1.70 -0.14 -1.26 -3.06 119.74 120.89 2akl s LYS 107 Ca 0.06 1.29 0.05 0.00 -1.36 0.00 0.00 55.97 56.01 2akl s LYS 107 Cb -0.08 -3.82 0.78 0.00 -1.68 0.00 0.00 37.83 33.03 2akl s LYS 107 CO -0.00 -0.98 1.68 1.03 -0.76 0.00 0.00 175.35 176.32 2akl h SER 108 N 8.76 0.28 0.53 2.83 0.87 -1.82 0.16 113.55 125.15 2akl h SER 108 Ca -0.25 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2akl h SER 108 Cb 1.09 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2akl h SER 108 CO 1.02 -0.06 0.00 -0.62 -0.53 0.00 0.00 176.83 176.64 2akl n GLU 109 N -5.09 0.13 -0.04 2.24 1.02 -1.26 -2.22 120.64 115.42 2akl n GLU 109 Ca 0.23 0.42 0.04 0.00 -0.02 0.00 0.00 57.16 57.84 2akl n GLU 109 Cb 0.71 -1.78 0.06 0.00 -0.02 0.00 0.00 31.44 30.41 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 -2.03 0.11 -4.18 -0.32 3.72 0.51 -4.35 117.46 110.92 2akl n PHE 110 Ca 0.02 -0.16 -0.25 0.00 -0.05 0.00 0.00 57.45 57.01 2akl n PHE 110 Cb 0.17 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.79 2.41 -0.14 -4.37 -7.23 -0.94 -1.31 120.40 108.01 2akl s VAL 111 Ca 0.12 -1.75 -0.07 0.00 -1.81 0.00 0.00 61.98 58.47 2akl s VAL 111 Cb 0.08 -2.97 0.06 0.00 0.56 0.00 0.00 36.38 34.10 2akl s VAL 111 CO 0.11 -0.05 0.33 -0.60 -0.31 0.00 0.00 175.10 174.59 2akl s ARG 112 N -3.86 0.29 0.25 4.82 3.52 0.11 -2.40 118.95 121.68 2akl s ARG 112 Ca 0.40 0.70 -0.31 0.00 -0.13 0.00 0.00 55.73 56.39 2akl s ARG 112 Cb 0.03 -0.04 -0.12 0.00 -1.56 0.00 0.00 34.95 33.26 2akl s ARG 112 CO 0.22 -0.18 1.65 1.17 -0.81 0.00 0.00 175.30 177.35 2akl n LYS 113 N 4.43 2.70 0.05 5.12 4.81 -1.26 0.84 118.16 134.85 2akl n LYS 113 Ca -0.22 0.97 -0.09 0.00 -0.87 0.00 0.00 58.31 58.11 2akl n LYS 113 Cb 0.53 -2.78 -0.06 0.00 0.02 0.00 0.00 35.03 32.75 2akl n LYS 113 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2akl h VAL 114 N 3.54 0.62 0.00 3.15 2.07 -1.74 -3.45 116.25 120.44 2akl h VAL 114 Ca -0.45 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2akl h VAL 114 Cb 1.22 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2akl h VAL 114 CO 0.86 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.24 2akl n GLY 115 N 0.88 1.13 0.87 2.17 0.00 -1.26 -5.10 105.19 103.87 2akl n GLY 115 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76