#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 0.58 0.45 1.12 0.11 -1.26 -5.14 120.40 116.26 2akl s VAL 2 Ca 0.00 -0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 58.58 2akl s VAL 2 Cb 0.00 -0.54 -0.07 0.00 -1.53 0.00 0.00 36.38 34.24 2akl s VAL 2 CO 0.00 0.20 1.22 -0.44 -3.33 0.00 0.00 175.10 172.75 2akl s SER 3 N 0.35 6.11 -0.09 3.54 0.01 -1.26 -4.90 113.70 117.45 2akl s SER 3 Ca -0.05 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.66 2akl s SER 3 Cb -0.09 -2.62 0.11 0.00 0.21 0.00 0.00 66.02 63.63 2akl s SER 3 CO 0.00 -0.97 1.42 1.07 0.41 0.00 0.00 173.24 175.17 2akl n THR 4 N -0.38 1.66 -3.85 1.44 5.66 -1.26 -4.87 114.28 112.69 2akl n THR 4 Ca 0.07 -0.52 -0.22 0.00 -3.05 0.00 0.00 64.05 60.33 2akl n THR 4 Cb 0.47 -1.07 -0.05 0.00 -1.55 0.00 0.00 70.33 68.13 2akl n THR 4 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2akl s LEU 5 N -0.61 3.35 0.71 1.09 1.43 -1.26 -5.12 118.68 118.27 2akl s LEU 5 Ca 0.11 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.33 2akl s LEU 5 Cb 0.09 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.44 2akl s LEU 5 CO 0.01 -0.48 1.07 -2.16 0.23 0.00 0.00 176.35 175.02 2akl s PRO 6 N -3.99 2.71 0.00 1.29 0.04 -1.26 -5.08 135.00 128.71 2akl s PRO 6 Ca 0.43 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2akl s PRO 6 Cb -0.02 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2akl s PRO 6 CO 0.25 -1.29 0.00 -2.30 0.04 0.00 0.00 177.00 173.70 2akl n PRO 7 N -3.16 0.35 -3.65 0.56 -0.02 -1.26 -4.88 135.00 122.94 2akl n PRO 7 Ca 0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 2akl n PRO 7 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 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 3.82 0.56 -0.01 0.00 -0.04 -1.26 0.19 135.00 138.26 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 -1.07 -0.01 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 -0.57 0.86 -0.07 0.54 6.02 -1.26 -4.89 117.38 118.01 2akl n GLN 10 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 2akl n GLN 10 Cb 0.01 -1.02 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 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 -3.32 -1.04 0.00 0.00 5.15 0.13 -4.93 115.26 111.25 2akl n ASN 12 Ca -0.26 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 2akl n ASN 12 Cb 0.71 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.40 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 -0.12 0.00 0.00 1.20 7.64 -1.26 -4.73 113.62 116.35 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 0.06 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.08 0.00 -1.69 1.43 0.28 -1.26 -5.03 120.64 113.29 2akl n GLU 14 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 2akl n GLU 14 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 2akl n GLU 14 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 2akl n TYR 15 N 0.00 2.18 -4.29 -1.84 0.18 -1.26 -4.85 117.16 107.29 2akl n TYR 15 Ca 0.00 -2.62 -0.35 0.00 1.88 0.00 0.00 57.90 56.81 2akl n TYR 15 Cb 0.00 -1.86 -0.09 0.00 -0.38 0.00 0.00 39.34 37.01 2akl n TYR 15 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2akl s THR 16 N -0.55 4.50 0.22 -3.48 2.01 -1.26 -4.20 115.64 112.88 2akl s THR 16 Ca 0.59 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 2akl s THR 16 Cb 0.23 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 2akl s THR 16 CO -0.11 0.59 0.18 -0.72 -0.69 0.00 0.00 174.62 173.87 2akl s TYR 17 N -0.93 1.16 -0.34 4.92 1.13 -1.15 -4.60 117.35 117.54 2akl s TYR 17 Ca 0.14 -1.35 -0.12 0.00 -1.41 0.00 0.00 57.07 54.32 2akl s TYR 17 Cb -0.11 -0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 40.23 2akl s TYR 17 CO 0.03 -0.71 0.23 -1.83 -2.51 0.00 0.00 175.55 170.77 2akl s GLU 18 N -4.05 3.38 -0.78 -3.49 1.03 -1.26 -1.57 118.70 111.96 2akl s GLU 18 Ca 0.38 -0.72 -0.00 0.00 0.03 0.00 0.00 54.97 54.65 2akl s GLU 18 Cb 0.06 -3.78 0.19 0.00 -0.80 0.00 0.00 34.13 29.80 2akl s GLU 18 CO 0.14 -0.49 0.62 0.34 -1.33 0.00 0.00 175.26 174.54 2akl s ASP 19 N 1.69 5.51 0.29 0.83 2.15 -1.14 -4.98 116.67 121.02 2akl s ASP 19 Ca 0.06 -3.53 0.00 0.00 0.43 0.00 0.00 52.55 49.51 2akl s ASP 19 Cb -0.18 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 2akl s ASP 19 CO 0.10 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 2akl n GLY 20 N 2.55 1.20 0.63 2.66 0.00 -1.26 -4.15 105.19 106.81 2akl n GLY 20 Ca 0.17 -0.69 0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 3.45 2.74 -3.39 4.61 0.00 -1.26 -5.01 120.51 121.65 2akl n ALA 21 Ca 0.00 -2.37 0.01 0.00 0.00 0.00 0.00 53.44 51.08 2akl n ALA 21 Cb 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.77 0.00 -4.60 0.00 -0.00 -1.26 -5.01 117.00 105.36 2akl n LEU 22 Ca 0.19 -1.08 -0.34 0.00 -0.00 0.00 0.00 56.01 54.78 2akl n LEU 22 Cb 0.80 1.69 -0.10 0.00 -0.00 0.00 0.00 43.42 45.80 2akl n LEU 22 CO 0.11 -0.36 -0.30 -0.76 -0.00 0.00 0.00 177.39 176.08 2akl s LEU 23 N 0.00 3.56 -0.11 1.47 1.43 -0.45 -2.87 118.68 121.70 2akl s LEU 23 Ca 0.08 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 2akl s LEU 23 Cb -0.02 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 2akl s LEU 23 CO 0.05 0.23 -0.20 -0.69 0.23 0.00 0.00 176.35 175.97 2akl s VAL 24 N 0.03 2.43 -0.41 -1.59 1.01 -0.61 -0.98 120.40 120.29 2akl s VAL 24 Ca 0.03 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 2akl s VAL 24 Cb -0.13 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.30 2akl s VAL 24 CO 0.02 0.54 0.29 0.00 0.00 0.00 0.00 175.10 175.95 2akl h PRO 26 N 8.60 0.00 0.00 0.00 0.13 -1.89 -2.77 132.00 136.07 2akl h PRO 26 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2akl h PRO 26 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2akl h PRO 26 CO 0.72 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.58 2akl n GLU 27 N -2.50 0.00 -0.16 0.86 4.07 -1.26 -4.12 120.64 117.52 2akl n GLU 27 Ca 0.01 0.33 0.05 0.00 -0.06 0.00 0.00 57.16 57.48 2akl n GLU 27 Cb 0.20 -1.09 0.14 0.00 -0.06 0.00 0.00 31.44 30.63 2akl n GLU 27 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2akl n ALA 29 N 0.38 -1.69 -3.74 0.00 0.00 -1.05 -5.00 120.51 109.42 2akl n ALA 29 Ca 0.10 0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 2akl n ALA 29 Cb 0.27 -3.66 -0.14 0.00 0.00 0.00 0.00 19.45 15.92 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 -3.38 -0.23 0.29 0.00 5.04 -1.22 -5.06 115.29 110.73 2akl s HIS 30 Ca 0.28 0.60 -0.08 0.00 -1.54 0.00 0.00 55.06 54.32 2akl s HIS 30 Cb -0.13 -0.05 -0.06 0.00 0.04 0.00 0.00 32.58 32.39 2akl s HIS 30 CO 0.75 -0.20 0.60 -1.21 -2.34 0.00 0.00 174.74 172.34 2akl s GLU 31 N 1.27 3.74 0.15 2.88 8.01 -1.26 -2.85 118.70 130.63 2akl s GLU 31 Ca -0.09 0.21 -0.18 0.00 0.01 0.00 0.00 54.97 54.93 2akl s GLU 31 Cb -0.11 -2.59 0.04 0.00 -4.31 0.00 0.00 34.13 27.15 2akl s GLU 31 CO -0.07 0.21 0.47 1.67 0.01 0.00 0.00 175.26 177.55 2akl s TRP 32 N -2.02 -0.23 -0.09 1.61 1.48 -0.15 -4.99 118.94 114.53 2akl s TRP 32 Ca 0.47 -0.07 0.04 0.00 -1.06 0.00 0.00 56.10 55.48 2akl s TRP 32 Cb -0.11 0.34 0.00 0.00 -1.16 0.00 0.00 33.47 32.55 2akl s TRP 32 CO 0.26 -0.79 -0.22 -1.12 -4.06 0.00 0.00 176.95 171.03 2akl s SER 33 N -2.81 2.84 0.31 -2.66 0.01 -1.26 -1.34 113.70 108.78 2akl s SER 33 Ca 0.04 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.83 2akl s SER 33 Cb 0.01 -1.26 0.63 0.00 0.21 0.00 0.00 66.02 65.61 2akl s SER 33 CO -0.10 0.14 1.88 1.55 0.41 0.00 0.00 173.24 177.12 2akl h PRO 34 N 6.71 0.88 0.00 12.44 0.13 -1.95 -2.77 132.00 147.43 2akl h PRO 34 Ca -0.22 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2akl h PRO 34 Cb 1.23 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2akl h PRO 34 CO 0.47 0.58 -0.94 0.09 -0.23 0.00 0.00 178.00 177.98 2akl n ASN 35 N -4.55 4.05 0.27 1.44 3.02 -1.26 -4.76 115.26 113.46 2akl n ASN 35 Ca 0.16 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.86 2akl n ASN 35 Cb 0.33 0.15 0.72 0.00 -0.61 0.00 0.00 39.78 40.37 2akl n ASN 35 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2akl h GLU 36 N 0.00 0.00 -0.19 3.52 3.07 -1.68 -0.07 114.58 119.22 2akl h GLU 36 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 2akl h GLU 36 Cb 0.94 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2akl h GLU 36 CO 0.00 0.10 -0.25 0.00 -1.40 0.00 0.00 179.01 177.45 2akl h ALA 37 N 1.90 1.21 0.00 3.43 0.00 -1.79 -3.31 119.26 120.71 2akl h ALA 37 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2akl h ALA 37 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2akl h ALA 37 CO 0.01 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.59 2akl h ALA 38 N 1.42 0.00 -1.91 0.00 0.00 -1.33 -3.50 119.26 113.93 2akl h ALA 38 Ca 0.05 -0.21 0.40 0.00 0.00 0.00 0.00 54.91 55.14 2akl h ALA 38 Cb 0.62 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 2akl h ALA 38 CO 0.04 0.19 0.99 -0.08 0.00 0.00 0.00 179.25 180.39 2akl s THR 39 N -1.68 0.00 -0.36 0.00 -1.32 -0.33 -5.13 115.64 106.81 2akl s THR 39 Ca -0.05 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 2akl s THR 39 Cb 0.01 -2.86 0.12 0.00 -1.51 0.00 0.00 72.50 68.25 2akl s THR 39 CO 0.08 0.00 0.16 0.00 -2.21 0.00 0.00 174.62 172.65 2akl s ALA 40 N -2.02 1.73 -1.21 11.08 0.00 -1.26 -3.96 121.76 126.12 2akl s ALA 40 Ca 0.30 -2.05 0.19 0.00 0.00 0.00 0.00 51.96 50.40 2akl s ALA 40 Cb 0.01 -1.73 0.72 0.00 0.00 0.00 0.00 23.12 22.12 2akl s ALA 40 CO -0.03 -1.86 1.63 0.43 0.00 0.00 0.00 175.76 175.93 2akl n SER 41 N 4.27 4.71 -4.09 0.00 7.64 -1.26 -4.91 113.62 119.98 2akl n SER 41 Ca 0.03 -2.41 -0.20 0.00 1.01 0.00 0.00 58.87 57.30 2akl n SER 41 Cb 0.39 -0.57 -0.14 0.00 -1.01 0.00 0.00 64.21 62.87 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 -0.93 1.46 0.00 6.43 2.15 -1.26 -5.00 116.67 119.53 2akl s ASP 42 Ca 0.51 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.21 2akl s ASP 42 Cb 0.32 -0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.80 2akl s ASP 42 CO 0.26 0.11 0.27 -0.67 -0.17 0.00 0.00 175.17 174.97 2akl n ASP 43 N 2.54 0.55 -1.58 -0.34 2.03 -1.26 -4.82 116.55 113.66 2akl n ASP 43 Ca -0.15 -0.90 -0.02 0.00 0.52 0.00 0.00 54.79 54.24 2akl n ASP 43 Cb 0.56 0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 41.03 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 0.09 2.63 0.13 0.27 0.00 -1.26 -3.48 105.19 103.58 2akl n GLY 44 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 2akl n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2akl n LYS 45 N 1.59 0.27 -4.29 1.61 4.76 -1.26 -3.88 118.16 116.96 2akl n LYS 45 Ca 0.07 0.07 -0.20 0.00 -2.87 0.00 0.00 58.31 55.38 2akl n LYS 45 Cb 0.56 -1.18 -0.11 0.00 -1.84 0.00 0.00 35.03 32.46 2akl n LYS 45 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2akl s VAL 46 N -2.21 1.56 -0.02 -0.18 1.01 -1.23 -4.65 120.40 114.69 2akl s VAL 46 Ca -0.15 -1.85 -0.15 0.00 0.00 0.00 0.00 61.98 59.84 2akl s VAL 46 Cb 0.04 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2akl s VAL 46 CO 0.24 -0.39 0.41 -0.63 0.00 0.00 0.00 175.10 174.72 2akl s ILE 47 N -2.19 5.06 0.01 2.22 -1.09 -1.26 -4.91 121.20 119.03 2akl s ILE 47 Ca 0.13 0.83 0.05 0.00 -2.23 0.00 0.00 60.65 59.44 2akl s ILE 47 Cb -0.05 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2akl s ILE 47 CO 0.05 0.55 -0.16 -0.75 -1.23 0.00 0.00 174.94 173.39 2akl s LYS 48 N -0.87 1.21 0.56 2.79 2.20 -1.26 -2.51 119.74 121.86 2akl s LYS 48 Ca 0.24 -0.70 0.09 0.00 -0.36 0.00 0.00 55.97 55.24 2akl s LYS 48 Cb -0.16 -1.22 0.09 0.00 -1.51 0.00 0.00 37.83 35.03 2akl s LYS 48 CO 0.13 0.32 0.77 -0.25 -0.36 0.00 0.00 175.35 175.96 2akl n ASP 49 N 2.29 2.07 0.00 1.43 9.92 -0.29 -4.56 116.55 127.41 2akl n ASP 49 Ca -0.16 -2.51 0.13 0.00 -0.53 0.00 0.00 54.79 51.72 2akl n ASP 49 Cb 0.54 -0.40 0.66 0.00 -0.64 0.00 0.00 41.12 41.28 2akl n ASP 49 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2akl n SER 50 N -2.34 0.00 0.07 -2.24 2.88 -0.61 -1.52 113.62 109.87 2akl n SER 50 Ca 0.15 -0.09 0.12 0.00 -1.33 0.00 0.00 58.87 57.72 2akl n SER 50 Cb 0.58 -0.28 0.13 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.00 0.00 2.46 2.07 -1.87 -3.47 116.25 115.44 2akl h VAL 51 Ca 0.00 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2akl h VAL 51 Cb 0.24 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2akl h VAL 51 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2akl n GLY 52 N 1.30 0.68 3.85 2.17 0.00 -0.58 -5.05 105.19 107.56 2akl n GLY 52 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.84 6.76 -0.12 1.61 6.03 -1.26 -4.79 114.94 120.32 2akl s ASN 53 Ca 0.00 1.20 -0.05 0.00 -1.03 0.00 0.00 52.86 52.99 2akl s ASN 53 Cb 0.00 -2.34 -0.04 0.00 -3.03 0.00 0.00 41.25 35.84 2akl s ASN 53 CO 0.00 -0.15 0.04 -0.69 -2.03 0.00 0.00 177.10 174.28 2akl s VAL 54 N -1.89 4.67 0.59 3.54 1.01 -1.26 -1.14 120.40 125.92 2akl s VAL 54 Ca 0.51 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.49 2akl s VAL 54 Cb -0.11 -3.03 0.10 0.00 0.00 0.00 0.00 36.38 33.34 2akl s VAL 54 CO 0.19 0.56 0.81 -0.76 0.00 0.00 0.00 175.10 175.89 2akl s LEU 55 N -0.47 3.01 0.11 3.92 1.02 -1.04 -5.00 118.68 120.23 2akl s LEU 55 Ca 0.10 -0.92 0.04 0.00 0.02 0.00 0.00 54.13 53.37 2akl s LEU 55 Cb -0.12 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 2akl s LEU 55 CO 0.02 -1.41 -0.11 -1.58 0.02 0.00 0.00 176.35 173.29 2akl s GLN 56 N -4.70 0.93 0.28 1.70 0.74 -1.26 -4.80 119.66 112.55 2akl s GLN 56 Ca 0.62 -1.24 -0.29 0.00 0.05 0.00 0.00 55.36 54.50 2akl s GLN 56 Cb -0.05 -0.63 -0.10 0.00 1.10 0.00 0.00 33.01 33.34 2akl s GLN 56 CO 0.39 0.10 1.25 0.16 -0.55 0.00 0.00 175.29 176.64 2akl s ASP 57 N -2.60 6.94 0.00 6.67 -4.77 -1.26 -2.26 116.67 119.40 2akl s ASP 57 Ca 0.08 2.49 0.00 0.00 -3.30 0.00 0.00 52.55 51.82 2akl s ASP 57 Cb -0.02 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.18 2akl s ASP 57 CO 0.01 -0.42 0.00 0.61 0.70 0.00 0.00 175.17 176.06 2akl n GLY 58 N 1.36 1.79 3.73 2.12 0.00 0.11 -4.90 105.19 109.40 2akl n GLY 58 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.38 2.78 -0.10 1.61 2.15 -0.96 -3.13 116.67 115.64 2akl s ASP 59 Ca 0.00 0.94 -0.01 0.00 0.43 0.00 0.00 52.55 53.91 2akl s ASP 59 Cb 0.00 -1.47 -0.03 0.00 -0.30 0.00 0.00 42.92 41.12 2akl s ASP 59 CO 0.00 -3.00 -0.04 -0.89 -0.17 0.00 0.00 175.17 171.06 2akl s THR 60 N -3.17 3.89 0.39 1.71 2.01 -1.24 -0.02 115.64 119.22 2akl s THR 60 Ca 0.66 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.33 2akl s THR 60 Cb -0.15 -2.63 -0.08 0.00 0.01 0.00 0.00 72.50 69.65 2akl s THR 60 CO 0.55 0.57 0.01 0.27 -0.69 0.00 0.00 174.62 175.33 2akl s ILE 61 N -0.50 1.93 -0.18 1.82 -5.25 0.50 -1.51 121.20 118.02 2akl s ILE 61 Ca 0.08 -2.02 -0.05 0.00 -0.99 0.00 0.00 60.65 57.67 2akl s ILE 61 Cb -0.12 -2.94 0.09 0.00 2.95 0.00 0.00 42.46 42.44 2akl s ILE 61 CO 0.02 -0.02 0.34 -0.89 -1.79 0.00 0.00 174.94 172.60 2akl s THR 62 N -2.77 -0.53 0.17 8.37 2.01 0.16 -1.85 115.64 121.20 2akl s THR 62 Ca 0.35 0.14 -0.32 0.00 0.31 0.00 0.00 61.69 62.17 2akl s THR 62 Cb 0.09 -0.61 -0.11 0.00 0.01 0.00 0.00 72.50 71.88 2akl s THR 62 CO 0.18 0.03 1.67 0.54 -0.69 0.00 0.00 174.62 176.35 2akl s VAL 63 N 2.50 2.40 -1.00 3.82 0.11 -1.15 -0.40 120.40 126.69 2akl s VAL 63 Ca 0.03 0.22 0.18 0.00 -2.93 0.00 0.00 61.98 59.48 2akl s VAL 63 Cb -0.13 -3.14 0.74 0.00 -1.53 0.00 0.00 36.38 32.32 2akl s VAL 63 CO -0.12 0.01 1.65 2.30 -3.33 0.00 0.00 175.10 175.62 2akl n ILE 64 N 4.15 1.98 -4.23 7.04 -0.00 -0.05 0.10 119.36 128.35 2akl n ILE 64 Ca 0.15 -1.24 -0.13 0.00 -0.00 0.00 0.00 62.75 61.53 2akl n ILE 64 Cb 0.37 0.07 -0.10 0.00 -0.00 0.00 0.00 39.64 39.98 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 -1.99 1.10 -0.33 6.28 3.01 -1.22 -4.77 119.74 121.83 2akl s LYS 65 Ca 0.52 -1.54 -0.23 0.00 -1.01 0.00 0.00 55.97 53.71 2akl s LYS 65 Cb 0.34 -0.17 0.00 0.00 -1.01 0.00 0.00 37.83 37.00 2akl s LYS 65 CO 0.23 -0.17 0.79 0.16 0.51 0.00 0.00 175.35 176.87 2akl s ASP 66 N -3.16 6.62 0.05 2.83 -4.77 -1.26 -2.31 116.67 114.67 2akl s ASP 66 Ca 0.25 0.54 0.05 0.00 -3.30 0.00 0.00 52.55 50.10 2akl s ASP 66 Cb 0.06 -2.40 -0.03 0.00 -1.09 0.00 0.00 42.92 39.47 2akl s ASP 66 CO 0.04 -0.67 -0.14 -0.76 0.70 0.00 0.00 175.17 174.34 2akl s LEU 67 N 3.03 2.22 0.67 2.11 1.02 0.15 -5.02 118.68 122.85 2akl s LEU 67 Ca 0.32 -0.53 -0.00 0.00 0.02 0.00 0.00 54.13 53.94 2akl s LEU 67 Cb -0.14 -0.58 0.10 0.00 0.02 0.00 0.00 46.19 45.59 2akl s LEU 67 CO 0.14 -0.01 0.93 -1.59 0.02 0.00 0.00 176.35 175.84 2akl s LYS 68 N -1.41 1.96 -0.07 1.70 0.00 -1.26 0.73 119.74 121.39 2akl s LYS 68 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 55.97 55.01 2akl s LYS 68 Cb -0.09 -2.38 -0.01 0.00 0.00 0.00 0.00 37.83 35.35 2akl s LYS 68 CO 0.02 -1.22 -0.22 0.08 0.00 0.00 0.00 175.35 174.01 2akl s VAL 69 N -3.03 2.31 0.00 1.79 1.01 -1.13 -4.62 120.40 116.74 2akl s VAL 69 Ca 0.63 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2akl s VAL 69 Cb -0.07 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2akl s VAL 69 CO 0.42 0.57 0.06 0.29 0.00 0.00 0.00 175.10 176.44 2akl n LYS 70 N 3.02 0.00 -0.75 2.72 4.76 -1.26 -3.58 118.16 123.07 2akl n LYS 70 Ca -0.18 0.05 0.01 0.00 -2.87 0.00 0.00 58.31 55.32 2akl n LYS 70 Cb 0.52 -0.56 0.29 0.00 -1.84 0.00 0.00 35.03 33.44 2akl n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2akl n GLY 71 N -0.11 2.89 3.37 0.72 0.00 -1.26 -4.88 105.19 105.91 2akl n GLY 71 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.63 3.01 0.00 1.61 0.01 -1.24 -5.01 113.70 111.44 2akl s SER 72 Ca 0.43 -0.83 0.13 0.00 1.31 0.00 0.00 55.95 56.99 2akl s SER 72 Cb 0.33 -0.20 0.63 0.00 0.21 0.00 0.00 66.02 67.00 2akl s SER 72 CO 0.12 0.06 1.43 -1.20 0.41 0.00 0.00 173.24 174.05 2akl n SER 73 N 0.45 0.61 -4.73 2.44 7.64 -1.26 -4.52 113.62 114.24 2akl n SER 73 Ca -0.14 -1.71 -0.39 0.00 1.01 0.00 0.00 58.87 57.63 2akl n SER 73 Cb 0.56 -0.05 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.34 4.33 -0.17 -3.43 1.02 -1.26 -5.02 118.68 112.81 2akl s LEU 74 Ca 0.21 1.11 -0.08 0.00 0.02 0.00 0.00 54.13 55.39 2akl s LEU 74 Cb 0.10 -2.97 -0.05 0.00 0.02 0.00 0.00 46.19 43.29 2akl s LEU 74 CO 0.16 -0.04 0.12 -0.69 0.02 0.00 0.00 176.35 175.92 2akl s VAL 75 N 0.52 5.33 -0.69 -1.59 1.01 -1.26 -2.83 120.40 120.88 2akl s VAL 75 Ca 0.34 0.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 2akl s VAL 75 Cb -0.17 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 32.88 2akl s VAL 75 CO 0.16 0.51 1.06 -0.69 0.00 0.00 0.00 175.10 176.14 2akl s VAL 76 N -0.13 4.16 0.12 2.92 1.01 0.22 -4.98 120.40 123.74 2akl s VAL 76 Ca 0.10 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.95 2akl s VAL 76 Cb -0.11 -4.75 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 2akl s VAL 76 CO 0.00 -1.57 0.04 -1.59 0.00 0.00 0.00 175.10 171.98 2akl s LYS 77 N 4.50 2.64 -0.74 2.72 0.00 -1.26 0.29 119.74 127.89 2akl s LYS 77 Ca 0.26 -0.88 -0.26 0.00 0.00 0.00 0.00 55.97 55.09 2akl s LYS 77 Cb -0.14 -2.55 -0.15 0.00 0.00 0.00 0.00 37.83 34.99 2akl s LYS 77 CO 0.11 0.51 2.48 1.55 0.00 0.00 0.00 175.35 180.00 2akl n VAL 78 N 0.20 -0.04 0.00 1.79 3.14 -0.98 -0.36 118.33 122.08 2akl n VAL 78 Ca -0.10 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 2akl n VAL 78 Cb 0.53 -1.73 0.00 0.00 -1.06 0.00 0.00 33.84 31.58 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 -0.07 3.58 7.55 0.00 0.11 -4.95 105.19 117.65 2akl n GLY 79 Ca 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.84 3.12 -0.38 2.61 2.01 0.52 -4.83 115.64 117.85 2akl s THR 80 Ca 0.00 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 61.89 2akl s THR 80 Cb 0.00 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.31 2akl s THR 80 CO 0.00 -0.16 0.71 -0.75 -0.69 0.00 0.00 174.62 173.73 2akl s LYS 81 N 6.95 3.62 -0.19 4.92 2.20 -1.26 -2.92 119.74 133.06 2akl s LYS 81 Ca 0.93 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 56.63 2akl s LYS 81 Cb -0.24 -3.84 0.03 0.00 -1.51 0.00 0.00 37.83 32.27 2akl s LYS 81 CO 0.30 -0.87 -0.15 0.08 -0.36 0.00 0.00 175.35 174.36 2akl s VAL 82 N 2.96 1.87 0.14 4.02 1.01 -0.77 -4.98 120.40 124.65 2akl s VAL 82 Ca 0.28 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.30 2akl s VAL 82 Cb -0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2akl s VAL 82 CO 0.17 0.34 0.11 -1.59 0.00 0.00 0.00 175.10 174.13 2akl s LYS 83 N 1.33 2.84 -0.53 2.72 -2.85 -1.26 -0.37 119.74 121.61 2akl s LYS 83 Ca 0.01 -0.85 -0.03 0.00 -1.00 0.00 0.00 55.97 54.10 2akl s LYS 83 Cb -0.15 -2.63 0.00 0.00 -2.06 0.00 0.00 37.83 32.99 2akl s LYS 83 CO -0.10 0.50 0.46 0.09 0.10 0.00 0.00 175.35 176.40 2akl n ASN 84 N -0.12 -3.36 -3.26 0.03 5.03 0.98 -4.81 115.26 109.74 2akl n ASN 84 Ca -0.09 -0.23 -0.23 0.00 0.87 0.00 0.00 54.58 54.91 2akl n ASN 84 Cb 0.54 -2.34 0.20 0.00 -1.02 0.00 0.00 39.78 37.16 2akl n ASN 84 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2akl n ILE 85 N -3.22 0.00 -4.33 2.41 -5.35 -0.98 -4.40 119.36 103.50 2akl n ILE 85 Ca -0.02 -0.27 -0.25 0.00 -0.27 0.00 0.00 62.75 61.93 2akl n ILE 85 Cb 0.53 -1.06 -0.17 0.00 -1.74 0.00 0.00 39.64 37.20 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 -4.80 1.66 -0.17 6.28 6.06 0.20 0.04 118.95 128.22 2akl s ARG 86 Ca 0.53 -0.36 -0.29 0.00 -2.50 0.00 0.00 55.73 53.11 2akl s ARG 86 Cb -0.06 -1.49 -0.00 0.00 0.06 0.00 0.00 34.95 33.46 2akl s ARG 86 CO 0.42 -0.08 1.01 -0.51 -2.50 0.00 0.00 175.30 173.63 2akl s LEU 87 N 1.05 4.18 0.10 -0.88 1.43 -1.26 -0.85 118.68 122.46 2akl s LEU 87 Ca -0.07 1.44 -0.30 0.00 -1.03 0.00 0.00 54.13 54.17 2akl s LEU 87 Cb -0.15 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 2akl s LEU 87 CO -0.01 -0.55 1.10 -0.69 0.23 0.00 0.00 176.35 176.43 2akl s VAL 88 N 2.56 4.15 -1.23 -1.59 1.01 -1.19 -4.89 120.40 119.21 2akl s VAL 88 Ca 0.46 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 63.93 2akl s VAL 88 Cb -0.17 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2akl s VAL 88 CO 0.12 0.21 1.86 0.47 0.00 0.00 0.00 175.10 177.77 2akl n ASP 89 N 3.15 3.94 0.00 3.32 8.00 -1.26 -4.08 116.55 129.62 2akl n ASP 89 Ca 0.05 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.74 2akl n ASP 89 Cb 0.47 -1.70 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 2akl n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2akl n GLY 90 N 5.41 2.53 3.82 0.44 0.00 -1.25 -5.09 105.19 111.06 2akl n GLY 90 Ca 0.48 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2akl n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2akl s ASP 91 N 0.00 6.81 -0.17 1.61 2.15 -1.26 -4.39 116.67 121.42 2akl s ASP 91 Ca 0.00 1.68 -0.03 0.00 0.43 0.00 0.00 52.55 54.63 2akl s ASP 91 Cb 0.00 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 2akl s ASP 91 CO 0.00 -0.45 2.77 1.41 -0.17 0.00 0.00 175.17 178.73 2akl n HIS 92 N -0.91 0.67 -3.28 -5.34 8.25 -1.26 -4.51 115.22 108.83 2akl n HIS 92 Ca 0.07 -1.58 -0.20 0.00 -0.26 0.00 0.00 57.72 55.75 2akl n HIS 92 Cb 0.54 -1.19 0.00 0.00 1.12 0.00 0.00 29.99 30.46 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 1.27 5.88 -0.24 0.41 1.01 -1.26 -4.51 116.67 119.22 2akl s ASP 93 Ca 0.44 -0.10 -0.02 0.00 0.71 0.00 0.00 52.55 53.57 2akl s ASP 93 Cb 0.25 -1.22 0.02 0.00 1.01 0.00 0.00 42.92 42.98 2akl s ASP 93 CO -0.06 -0.56 -0.06 -0.63 0.21 0.00 0.00 175.17 174.08 2akl s ILE 94 N -2.30 3.00 -0.11 0.77 1.01 -1.13 -3.18 121.20 119.27 2akl s ILE 94 Ca 0.47 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 60.09 2akl s ILE 94 Cb -0.10 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 2akl s ILE 94 CO 0.33 0.26 0.35 -0.62 0.00 0.00 0.00 174.94 175.27 2akl s ASP 95 N 1.37 6.59 0.08 3.58 2.15 -0.03 -1.49 116.67 128.92 2akl s ASP 95 Ca 0.02 0.69 -0.07 0.00 0.43 0.00 0.00 52.55 53.62 2akl s ASP 95 Cb -0.16 -2.22 -0.01 0.00 -0.30 0.00 0.00 42.92 40.24 2akl s ASP 95 CO -0.04 0.15 0.14 0.00 -0.17 0.00 0.00 175.17 175.25 2akl s LYS 97 N -3.84 2.72 -0.28 0.00 0.00 -1.26 -0.29 119.74 116.79 2akl s LYS 97 Ca 0.05 -0.84 0.03 0.00 0.00 0.00 0.00 55.97 55.21 2akl s LYS 97 Cb 0.05 -2.27 0.07 0.00 0.00 0.00 0.00 37.83 35.68 2akl s LYS 97 CO -0.11 0.37 -0.06 0.42 0.00 0.00 0.00 175.35 175.97 2akl s ILE 98 N -0.11 2.14 -0.34 3.79 1.01 0.14 -4.85 121.20 122.98 2akl s ILE 98 Ca -0.04 -1.80 -0.28 0.00 0.00 0.00 0.00 60.65 58.53 2akl s ILE 98 Cb -0.14 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2akl s ILE 98 CO 0.04 -0.20 2.10 -1.81 0.00 0.00 0.00 174.94 175.07 2akl s ASP 99 N 1.07 5.37 0.00 3.58 1.01 -1.26 -1.21 116.67 125.24 2akl s ASP 99 Ca -0.03 1.42 0.00 0.00 0.71 0.00 0.00 52.55 54.65 2akl s ASP 99 Cb -0.20 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.22 2akl s ASP 99 CO -0.06 -2.10 0.00 0.61 0.21 0.00 0.00 175.17 173.83 2akl n GLY 100 N 5.70 3.84 0.01 0.21 0.00 -1.26 -4.91 105.19 108.79 2akl n GLY 100 Ca 0.28 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 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 0.15 0.00 -0.61 -5.35 -0.99 -5.15 119.36 107.41 2akl n ILE 101 Ca 0.00 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2akl n ILE 101 Cb 0.00 -0.63 0.00 0.00 -1.74 0.00 0.00 39.64 37.27 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 3.32 0.88 3.86 3.28 0.00 -0.35 -5.04 105.19 111.15 2akl n GLY 102 Ca -0.04 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.06 3.47 0.28 4.61 0.00 -1.26 0.25 121.76 128.05 2akl s ALA 103 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 2akl s ALA 103 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.55 2akl s ALA 103 CO 0.00 0.44 0.56 1.41 0.00 0.00 0.00 175.76 178.16 2akl s MET 104 N -2.82 1.70 0.14 0.00 0.00 0.60 -4.90 119.30 114.03 2akl s MET 104 Ca 0.49 -1.26 0.11 0.00 0.00 0.00 0.00 55.69 55.03 2akl s MET 104 Cb -0.11 0.51 -0.04 0.00 0.00 0.00 0.00 34.83 35.19 2akl s MET 104 CO 0.20 -0.73 -0.25 -1.59 0.00 0.00 0.00 175.02 172.64 2akl s LYS 105 N -3.76 1.40 -0.01 4.11 -2.85 -1.26 -1.00 119.74 116.36 2akl s LYS 105 Ca 0.20 -1.38 0.05 0.00 -1.00 0.00 0.00 55.97 53.84 2akl s LYS 105 Cb -0.02 -1.81 -0.01 0.00 -2.06 0.00 0.00 37.83 33.92 2akl s LYS 105 CO 0.10 0.42 -0.17 -0.51 0.10 0.00 0.00 175.35 175.29 2akl s LEU 106 N -2.22 2.04 -0.29 2.77 1.43 -0.55 -4.99 118.68 116.86 2akl s LEU 106 Ca 0.15 -0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 52.67 2akl s LEU 106 Cb -0.09 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.29 2akl s LEU 106 CO 0.07 0.20 0.97 -0.75 0.23 0.00 0.00 176.35 177.06 2akl s LYS 107 N -0.43 4.08 0.37 1.70 2.20 -1.26 -2.83 119.74 123.58 2akl s LYS 107 Ca 0.06 0.98 0.14 0.00 -0.36 0.00 0.00 55.97 56.79 2akl s LYS 107 Cb -0.06 -3.71 0.97 0.00 -1.51 0.00 0.00 37.83 33.52 2akl s LYS 107 CO -0.01 -0.75 1.80 0.66 -0.36 0.00 0.00 175.35 176.69 2akl h SER 108 N 7.94 0.55 0.35 1.43 4.64 -1.84 0.32 113.55 126.93 2akl h SER 108 Ca -0.21 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2akl h SER 108 Cb 1.07 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2akl h SER 108 CO 0.97 0.18 0.00 -0.62 -0.87 0.00 0.00 176.83 176.49 2akl n GLU 109 N -4.63 0.13 0.00 4.77 1.02 -1.26 -1.57 120.64 119.10 2akl n GLU 109 Ca 0.22 0.19 0.04 0.00 -0.02 0.00 0.00 57.16 57.59 2akl n GLU 109 Cb 0.71 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.64 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 -1.37 0.00 -4.42 -0.32 3.72 0.11 -4.49 117.46 110.69 2akl n PHE 110 Ca 0.05 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.17 2akl n PHE 110 Cb 0.13 0.00 -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 -0.94 1.85 -0.05 -4.37 -7.23 -0.80 -0.87 120.40 107.98 2akl s VAL 111 Ca 0.07 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 2akl s VAL 111 Cb 0.06 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2akl s VAL 111 CO 0.15 0.00 0.12 -0.60 -0.31 0.00 0.00 175.10 174.46 2akl s ARG 112 N -3.88 0.12 0.22 4.82 3.52 0.46 -2.53 118.95 121.68 2akl s ARG 112 Ca 0.29 0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.81 2akl s ARG 112 Cb 0.05 -0.01 -0.09 0.00 -1.56 0.00 0.00 34.95 33.34 2akl s ARG 112 CO 0.16 -0.06 1.26 0.21 -0.81 0.00 0.00 175.30 176.06 2akl s LYS 113 N 0.37 4.44 -0.17 5.12 2.20 -1.26 0.38 119.74 130.82 2akl s LYS 113 Ca -0.03 2.00 -0.13 0.00 -0.36 0.00 0.00 55.97 57.45 2akl s LYS 113 Cb -0.04 -3.19 -0.06 0.00 -1.51 0.00 0.00 37.83 33.03 2akl s LYS 113 CO -0.01 -0.16 -0.21 0.28 -0.36 0.00 0.00 175.35 174.89 2akl n VAL 114 N 2.23 1.46 0.00 4.02 0.31 -0.57 -4.84 118.33 120.94 2akl n VAL 114 Ca 0.04 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2akl n VAL 114 Cb 0.43 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 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 1.53 1.51 0.00 2.92 0.00 -1.22 -5.04 105.19 104.89 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