#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 4.72 0.46 3.17 0.11 -1.26 -5.01 120.40 122.60 2akl s VAL 2 Ca 0.00 1.98 -0.22 0.00 -2.93 0.00 0.00 61.98 60.80 2akl s VAL 2 Cb 0.00 -4.27 -0.08 0.00 -1.53 0.00 0.00 36.38 30.50 2akl s VAL 2 CO 0.00 0.06 1.13 -0.44 -3.33 0.00 0.00 175.10 172.51 2akl s SER 3 N 1.11 6.24 -0.54 3.54 0.01 -1.26 -4.94 113.70 117.85 2akl s SER 3 Ca 0.51 2.20 0.01 0.00 1.31 0.00 0.00 55.95 59.99 2akl s SER 3 Cb -0.20 -2.59 0.55 0.00 0.21 0.00 0.00 66.02 63.99 2akl s SER 3 CO 0.22 -0.86 1.94 0.35 0.41 0.00 0.00 173.24 175.30 2akl n THR 4 N -0.55 3.37 -2.47 1.44 -2.24 -1.26 -4.99 114.28 107.59 2akl n THR 4 Ca 0.08 -2.49 -0.24 0.00 -2.27 0.00 0.00 64.05 59.12 2akl n THR 4 Cb 0.49 -0.81 0.05 0.00 -2.10 0.00 0.00 70.33 67.96 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 -3.56 3.13 0.74 3.22 1.43 -1.26 -5.08 118.68 117.30 2akl s LEU 5 Ca 0.60 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.90 2akl s LEU 5 Cb 0.49 -3.10 0.04 0.00 0.03 0.00 0.00 46.19 43.65 2akl s LEU 5 CO 0.05 -1.26 1.10 -2.16 0.23 0.00 0.00 176.35 174.31 2akl s PRO 6 N -4.97 2.39 0.00 1.29 0.04 -1.26 -5.06 135.00 127.43 2akl s PRO 6 Ca 0.57 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2akl s PRO 6 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2akl s PRO 6 CO 0.42 -1.55 0.00 -2.30 0.04 0.00 0.00 177.00 173.61 2akl n PRO 7 N -3.18 -0.27 -3.59 0.56 -0.02 -1.26 -4.91 135.00 122.33 2akl n PRO 7 Ca 0.10 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.21 2akl n PRO 7 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.92 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 4.25 0.42 -0.00 0.00 -0.04 -1.26 0.37 135.00 138.74 2akl n PRO 9 Ca -0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 2akl n PRO 9 Cb 0.52 -1.11 -0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.61 0.63 -0.09 0.54 6.02 -1.26 -4.88 117.38 117.72 2akl n GLN 10 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.85 2akl n GLN 10 Cb 0.01 -1.02 -0.07 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 -3.55 -0.39 0.00 0.00 5.15 0.16 -4.91 115.26 111.72 2akl n ASN 12 Ca -0.33 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 2akl n ASN 12 Cb 0.77 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 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 -0.05 0.00 0.00 1.20 7.64 -1.26 -4.74 113.62 116.41 2akl n SER 13 Ca 0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2akl n SER 13 Cb 0.02 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.96 0.00 -0.33 1.43 0.28 -1.26 -5.00 120.64 114.80 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 -3.95 -1.84 4.01 -1.26 -4.80 117.16 109.32 2akl n TYR 15 Ca 0.00 -0.80 -0.34 0.00 -0.16 0.00 0.00 57.90 56.60 2akl n TYR 15 Cb 0.00 -0.41 -0.06 0.00 -0.31 0.00 0.00 39.34 38.56 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 0.10 5.29 0.27 -0.72 2.01 -1.26 -3.80 115.64 117.52 2akl s THR 16 Ca 0.00 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 61.84 2akl s THR 16 Cb 0.00 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 2akl s THR 16 CO 0.00 0.41 0.36 -0.72 -0.69 0.00 0.00 174.62 173.98 2akl s TYR 17 N -1.22 0.94 -0.28 4.92 1.13 -1.12 -4.84 117.35 116.89 2akl s TYR 17 Ca 0.23 -1.18 -0.10 0.00 -1.41 0.00 0.00 57.07 54.61 2akl s TYR 17 Cb -0.12 -0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.50 2akl s TYR 17 CO 0.14 -0.92 0.16 -1.83 -2.51 0.00 0.00 175.55 170.59 2akl s GLU 18 N -3.71 3.81 -0.68 -3.49 1.03 -1.26 -1.55 118.70 112.85 2akl s GLU 18 Ca 0.31 -0.40 0.05 0.00 0.03 0.00 0.00 54.97 54.97 2akl s GLU 18 Cb 0.02 -3.59 0.21 0.00 -0.80 0.00 0.00 34.13 29.97 2akl s GLU 18 CO 0.15 -0.21 0.61 -3.47 -1.33 0.00 0.00 175.26 171.01 2akl n ASP 19 N 5.03 3.35 0.00 0.83 2.03 -1.15 -4.96 116.55 121.68 2akl n ASP 19 Ca -0.14 -3.32 0.00 0.00 0.52 0.00 0.00 54.79 51.85 2akl n ASP 19 Cb 0.52 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 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 1.44 0.97 1.58 0.27 0.00 -1.26 -4.31 105.19 103.89 2akl n GLY 20 Ca 0.25 -1.10 0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 2.30 3.27 -3.65 4.61 0.00 -1.26 -4.95 120.51 120.83 2akl n ALA 21 Ca 0.00 -1.74 -0.06 0.00 0.00 0.00 0.00 53.44 51.64 2akl n ALA 21 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 0.83 0.00 -4.44 0.00 -0.00 -1.26 -4.95 117.00 107.18 2akl n LEU 22 Ca 0.26 -1.87 -0.33 0.00 -0.00 0.00 0.00 56.01 54.06 2akl n LEU 22 Cb 0.96 1.99 -0.13 0.00 -0.00 0.00 0.00 43.42 46.24 2akl n LEU 22 CO 0.25 -0.49 -0.40 -0.76 -0.00 0.00 0.00 177.39 175.99 2akl s LEU 23 N 0.00 2.97 -0.14 1.47 1.43 -0.30 -2.91 118.68 121.20 2akl s LEU 23 Ca 0.17 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2akl s LEU 23 Cb -0.01 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 2akl s LEU 23 CO 0.12 0.18 -0.16 -0.69 0.23 0.00 0.00 176.35 176.03 2akl s VAL 24 N 0.27 2.70 -0.46 -1.59 1.01 -0.60 -0.75 120.40 120.97 2akl s VAL 24 Ca -0.06 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 2akl s VAL 24 Cb -0.15 -2.12 0.09 0.00 0.00 0.00 0.00 36.38 34.20 2akl s VAL 24 CO 0.04 0.53 0.36 0.00 0.00 0.00 0.00 175.10 176.03 2akl n PRO 26 N 5.10 0.01 0.12 0.00 -0.04 -1.25 -1.59 135.00 137.35 2akl n PRO 26 Ca -0.12 0.24 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 2akl n PRO 26 Cb 0.43 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.33 -0.58 0.54 4.81 -1.91 -3.33 114.58 113.78 2akl h GLU 27 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2akl h GLU 27 Cb 0.25 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2akl h GLU 27 CO 0.00 -0.22 0.00 0.00 -0.73 0.00 0.00 179.01 178.06 2akl n ALA 29 N 1.06 -1.57 -3.42 0.00 0.00 -0.62 -4.99 120.51 110.97 2akl n ALA 29 Ca 0.19 0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.71 2akl n ALA 29 Cb 0.55 -4.20 -0.11 0.00 0.00 0.00 0.00 19.45 15.68 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 -3.36 -0.45 0.36 0.00 5.04 -0.99 -5.03 115.29 110.86 2akl s HIS 30 Ca 0.38 1.04 0.08 0.00 -1.54 0.00 0.00 55.06 55.02 2akl s HIS 30 Cb -0.18 0.16 -0.03 0.00 0.04 0.00 0.00 32.58 32.58 2akl s HIS 30 CO 0.75 -0.24 0.29 -1.83 -2.34 0.00 0.00 174.74 171.37 2akl s GLU 31 N 0.62 2.59 0.13 2.88 4.04 -1.26 -2.02 118.70 125.68 2akl s GLU 31 Ca -0.03 -1.43 -0.24 0.00 0.04 0.00 0.00 54.97 53.30 2akl s GLU 31 Cb -0.05 -2.37 0.07 0.00 0.02 0.00 0.00 34.13 31.80 2akl s GLU 31 CO -0.04 0.00 0.71 1.67 -1.84 0.00 0.00 175.26 175.76 2akl s TRP 32 N -2.39 -0.42 -0.18 4.83 1.48 0.07 -4.96 118.94 117.37 2akl s TRP 32 Ca 0.43 0.19 -0.02 0.00 -1.06 0.00 0.00 56.10 55.64 2akl s TRP 32 Cb -0.04 0.58 -0.01 0.00 -1.16 0.00 0.00 33.47 32.84 2akl s TRP 32 CO 0.26 -0.82 -0.08 0.45 -4.06 0.00 0.00 176.95 172.70 2akl s SER 33 N -2.71 4.17 0.18 -2.66 0.15 -1.26 -1.15 113.70 110.41 2akl s SER 33 Ca 0.04 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.20 2akl s SER 33 Cb -0.02 -1.68 0.13 0.00 -1.71 0.00 0.00 66.02 62.74 2akl s SER 33 CO -0.09 0.07 1.80 1.55 1.20 0.00 0.00 173.24 177.77 2akl h PRO 34 N 7.43 0.53 0.00 5.44 0.13 -1.94 -1.73 132.00 141.86 2akl h PRO 34 Ca -0.35 -0.03 -0.28 0.00 -0.87 0.00 0.00 66.00 64.47 2akl h PRO 34 Cb 1.18 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 2akl h PRO 34 CO 0.59 0.35 -2.05 0.09 -0.23 0.00 0.00 178.00 176.75 2akl n ASN 35 N -4.85 1.64 0.08 1.44 3.02 -1.26 -4.48 115.26 110.85 2akl n ASN 35 Ca 0.04 -0.03 0.01 0.00 -0.03 0.00 0.00 54.58 54.57 2akl n ASN 35 Cb 0.12 0.54 0.32 0.00 -0.61 0.00 0.00 39.78 40.15 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 0.31 -0.38 3.52 4.81 -1.93 0.16 114.58 121.07 2akl h GLU 36 Ca -0.41 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2akl h GLU 36 Cb 1.85 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.18 2akl h GLU 36 CO -0.00 0.48 0.10 0.00 -0.73 0.00 0.00 179.01 178.86 2akl h ALA 37 N 1.54 1.45 0.18 2.92 0.00 -1.53 -2.86 119.26 120.95 2akl h ALA 37 Ca 0.05 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 2akl h ALA 37 Cb 0.48 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.12 2akl h ALA 37 CO 0.03 0.40 -1.43 0.00 0.00 0.00 0.00 179.25 178.26 2akl h ALA 38 N 1.56 0.02 0.00 0.00 0.00 -1.61 -3.47 119.26 115.76 2akl h ALA 38 Ca 0.13 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2akl h ALA 38 Cb 0.21 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2akl h ALA 38 CO -0.00 0.76 0.00 2.41 0.00 0.00 0.00 179.25 182.42 2akl n THR 39 N -3.81 0.00 -4.25 0.00 -1.04 0.49 -4.69 114.28 100.99 2akl n THR 39 Ca -0.21 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.61 2akl n THR 39 Cb 1.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.35 2akl n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2akl s ALA 40 N 0.00 0.67 -0.41 2.41 0.00 -1.26 -4.96 121.76 118.21 2akl s ALA 40 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.81 2akl s ALA 40 Cb 0.00 -0.29 0.68 0.00 0.00 0.00 0.00 23.12 23.51 2akl s ALA 40 CO 0.00 0.09 1.86 0.43 0.00 0.00 0.00 175.76 178.14 2akl n SER 41 N 3.43 3.90 -0.89 0.00 7.64 -1.26 -5.04 113.62 121.39 2akl n SER 41 Ca -0.19 -3.54 0.04 0.00 1.01 0.00 0.00 58.87 56.19 2akl n SER 41 Cb 0.54 -0.80 -0.02 0.00 -1.01 0.00 0.00 64.21 62.92 2akl n SER 41 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2akl n ASP 42 N -0.93 -4.83 -0.02 6.43 9.92 -1.26 -4.86 116.55 121.01 2akl n ASP 42 Ca 0.54 1.02 -0.18 0.00 -0.53 0.00 0.00 54.79 55.63 2akl n ASP 42 Cb 1.56 -2.69 -0.14 0.00 -0.64 0.00 0.00 41.12 39.22 2akl n ASP 42 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2akl h ASP 43 N -0.23 0.23 -1.90 -2.24 3.32 -2.03 -3.45 116.42 110.12 2akl h ASP 43 Ca -0.04 -0.90 -0.18 0.00 0.02 0.00 0.00 57.03 55.92 2akl h ASP 43 Cb 0.65 -0.07 -0.30 0.00 0.22 0.00 0.00 39.33 39.83 2akl h ASP 43 CO 0.02 1.30 -0.51 -0.83 -1.72 0.00 0.00 179.24 177.49 2akl s GLY 44 N -4.49 -0.41 0.00 2.75 0.00 -1.26 -4.98 107.32 98.93 2akl s GLY 44 Ca -0.18 0.59 0.27 0.00 0.00 0.00 0.00 44.72 45.40 2akl s GLY 44 CO 0.74 2.74 1.65 0.28 0.00 0.00 0.00 173.10 178.50 2akl n LYS 45 N 5.35 1.10 -4.49 2.90 4.76 -1.26 -4.65 118.16 121.87 2akl n LYS 45 Ca -0.02 -0.62 -0.27 0.00 -2.87 0.00 0.00 58.31 54.52 2akl n LYS 45 Cb 0.50 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 32.07 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 -2.33 2.03 0.01 -0.18 1.01 -1.26 -4.83 120.40 114.84 2akl s VAL 46 Ca 0.29 -1.57 -0.17 0.00 0.00 0.00 0.00 61.98 60.53 2akl s VAL 46 Cb 0.20 -1.79 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 2akl s VAL 46 CO 0.46 0.11 0.50 -0.63 0.00 0.00 0.00 175.10 175.54 2akl s ILE 47 N -1.01 4.93 0.12 2.22 -1.09 -1.26 -4.93 121.20 120.18 2akl s ILE 47 Ca 0.11 1.03 0.10 0.00 -2.23 0.00 0.00 60.65 59.67 2akl s ILE 47 Cb -0.10 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 2akl s ILE 47 CO 0.04 0.52 -0.26 -0.75 -1.23 0.00 0.00 174.94 173.27 2akl s LYS 48 N -0.76 1.38 0.78 2.79 2.20 -1.26 -2.65 119.74 122.21 2akl s LYS 48 Ca 0.27 -1.29 -0.03 0.00 -0.36 0.00 0.00 55.97 54.55 2akl s LYS 48 Cb -0.18 -1.80 0.16 0.00 -1.51 0.00 0.00 37.83 34.50 2akl s LYS 48 CO 0.15 0.43 1.07 -0.25 -0.36 0.00 0.00 175.35 176.39 2akl n ASP 49 N 1.02 1.12 -0.13 1.43 8.00 0.68 -4.42 116.55 124.26 2akl n ASP 49 Ca -0.18 -2.02 0.15 0.00 0.71 0.00 0.00 54.79 53.44 2akl n ASP 49 Cb 0.53 -0.72 0.69 0.00 -0.02 0.00 0.00 41.12 41.59 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 -3.09 0.45 0.03 -2.24 2.88 -0.94 -2.75 113.62 107.97 2akl n SER 50 Ca 0.17 -0.74 0.11 0.00 -1.33 0.00 0.00 58.87 57.08 2akl n SER 50 Cb 0.59 -0.07 0.07 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.85 0.21 -0.17 2.46 0.31 -1.26 -4.95 118.33 114.08 2akl n VAL 51 Ca 0.17 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2akl n VAL 51 Cb 0.25 0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 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 1.37 0.69 3.92 2.92 0.00 -1.11 -5.08 105.19 107.90 2akl n GLY 52 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2akl n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2akl s ASN 53 N -2.67 5.82 -0.07 1.61 0.01 -1.26 -4.80 114.94 113.57 2akl s ASN 53 Ca 0.00 0.70 0.04 0.00 -0.71 0.00 0.00 52.86 52.90 2akl s ASN 53 Cb 0.00 -1.83 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 2akl s ASN 53 CO 0.00 -0.87 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.82 2akl s VAL 54 N -2.85 2.45 0.00 1.60 1.01 -1.26 -0.23 120.40 121.11 2akl s VAL 54 Ca 0.51 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2akl s VAL 54 Cb -0.10 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2akl s VAL 54 CO 0.44 0.57 0.00 0.18 0.00 0.00 0.00 175.10 176.28 2akl n LEU 55 N 2.93 0.00 -3.57 3.92 7.99 -1.09 -5.01 117.00 122.18 2akl n LEU 55 Ca -0.18 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.66 2akl n LEU 55 Cb 0.52 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.77 2akl n LEU 55 CO 0.26 0.00 0.42 -1.58 -1.51 0.00 0.00 177.39 174.98 2akl s GLN 56 N 2.53 0.96 -0.68 3.23 0.74 -1.26 -4.90 119.66 120.29 2akl s GLN 56 Ca 0.00 0.51 -0.26 0.00 0.05 0.00 0.00 55.36 55.66 2akl s GLN 56 Cb 0.00 0.46 -0.02 0.00 1.10 0.00 0.00 33.01 34.55 2akl s GLN 56 CO 0.00 -0.24 1.84 0.16 -0.55 0.00 0.00 175.29 176.49 2akl s ASP 57 N -0.62 5.32 0.00 6.67 -4.77 -1.26 -1.06 116.67 120.95 2akl s ASP 57 Ca -0.07 0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.24 2akl s ASP 57 Cb -0.02 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 2akl s ASP 57 CO 0.07 -2.40 0.00 0.61 0.70 0.00 0.00 175.17 174.14 2akl n GLY 58 N 5.93 0.97 3.77 2.12 0.00 0.60 -4.89 105.19 113.70 2akl n GLY 58 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.97 3.71 -0.11 1.61 2.15 -0.22 -3.30 116.67 119.54 2akl s ASP 59 Ca 0.00 1.15 -0.01 0.00 0.43 0.00 0.00 52.55 54.12 2akl s ASP 59 Cb 0.00 -1.80 -0.03 0.00 -0.30 0.00 0.00 42.92 40.80 2akl s ASP 59 CO 0.00 -2.45 -0.07 -0.89 -0.17 0.00 0.00 175.17 171.59 2akl s THR 60 N -3.17 3.60 0.38 1.71 2.01 -1.26 -0.19 115.64 118.72 2akl s THR 60 Ca 0.63 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 62.19 2akl s THR 60 Cb -0.15 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.78 2akl s THR 60 CO 0.54 0.54 0.05 0.27 -0.69 0.00 0.00 174.62 175.34 2akl s ILE 61 N -0.13 1.32 -0.18 1.82 -5.25 0.19 -1.54 121.20 117.43 2akl s ILE 61 Ca 0.01 -2.00 -0.06 0.00 -0.99 0.00 0.00 60.65 57.61 2akl s ILE 61 Cb -0.13 -2.73 0.08 0.00 2.95 0.00 0.00 42.46 42.63 2akl s ILE 61 CO 0.03 0.00 0.36 -0.89 -1.79 0.00 0.00 174.94 172.65 2akl s THR 62 N -3.09 -0.56 0.24 8.37 2.01 0.17 -1.65 115.64 121.13 2akl s THR 62 Ca 0.31 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 62.20 2akl s THR 62 Cb 0.08 -0.59 -0.12 0.00 0.01 0.00 0.00 72.50 71.87 2akl s THR 62 CO 0.15 0.07 1.67 0.55 -0.69 0.00 0.00 174.62 176.38 2akl n VAL 63 N 5.37 0.43 -0.92 3.82 3.14 -1.14 -0.29 118.33 128.74 2akl n VAL 63 Ca -0.07 -0.11 0.08 0.00 -2.96 0.00 0.00 64.34 61.28 2akl n VAL 63 Cb 0.50 -1.98 0.34 0.00 -1.06 0.00 0.00 33.84 31.64 2akl n VAL 63 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2akl n ILE 64 N 3.20 2.51 -4.14 1.55 -0.00 -0.36 -0.45 119.36 121.68 2akl n ILE 64 Ca 0.13 -1.59 -0.09 0.00 -0.00 0.00 0.00 62.75 61.20 2akl n ILE 64 Cb 0.36 -0.24 -0.10 0.00 -0.00 0.00 0.00 39.64 39.66 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 -2.73 0.81 -0.66 6.28 3.01 -1.25 -4.81 119.74 120.39 2akl s LYS 65 Ca 0.49 -1.34 -0.25 0.00 -1.01 0.00 0.00 55.97 53.86 2akl s LYS 65 Cb 0.38 0.05 0.05 0.00 -1.01 0.00 0.00 37.83 37.30 2akl s LYS 65 CO 0.13 -0.13 1.07 -0.51 0.51 0.00 0.00 175.35 176.43 2akl s ASP 66 N -3.02 6.21 0.04 2.83 1.01 -1.26 -2.32 116.67 120.16 2akl s ASP 66 Ca 0.15 -0.65 0.05 0.00 0.71 0.00 0.00 52.55 52.81 2akl s ASP 66 Cb 0.07 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 2akl s ASP 66 CO -0.04 -1.53 -0.11 -0.76 0.21 0.00 0.00 175.17 172.94 2akl s LEU 67 N 4.61 2.97 0.72 1.23 1.02 0.20 -5.00 118.68 124.43 2akl s LEU 67 Ca 0.29 -0.28 -0.04 0.00 0.02 0.00 0.00 54.13 54.11 2akl s LEU 67 Cb -0.13 -1.73 0.10 0.00 0.02 0.00 0.00 46.19 44.45 2akl s LEU 67 CO 0.14 0.25 1.01 -1.59 0.02 0.00 0.00 176.35 176.18 2akl s LYS 68 N -1.58 1.84 -0.03 1.70 -2.85 -1.26 0.71 119.74 118.27 2akl s LYS 68 Ca 0.17 -0.68 0.05 0.00 -1.00 0.00 0.00 55.97 54.51 2akl s LYS 68 Cb -0.11 -2.24 -0.01 0.00 -2.06 0.00 0.00 37.83 33.42 2akl s LYS 68 CO 0.08 -1.39 -0.17 0.08 0.10 0.00 0.00 175.35 174.05 2akl s VAL 69 N -3.22 1.36 -0.11 1.79 1.01 -1.16 -4.57 120.40 115.50 2akl s VAL 69 Ca 0.64 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 2akl s VAL 69 Cb -0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2akl s VAL 69 CO 0.45 0.39 0.06 -0.75 0.00 0.00 0.00 175.10 175.24 2akl s LYS 70 N -0.19 3.29 0.00 2.72 2.47 -1.26 -4.38 119.74 122.39 2akl s LYS 70 Ca 0.02 -0.30 0.00 0.00 -1.56 0.00 0.00 55.97 54.13 2akl s LYS 70 Cb -0.09 -2.99 0.00 0.00 -1.46 0.00 0.00 37.83 33.29 2akl s LYS 70 CO 0.01 0.67 0.00 0.41 0.16 0.00 0.00 175.35 176.59 2akl n GLY 71 N 2.29 3.00 3.68 5.54 0.00 -1.26 -5.01 105.19 113.43 2akl n GLY 71 Ca -0.19 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 0.24 4.82 0.00 1.61 0.01 -1.26 -5.00 113.70 114.12 2akl s SER 72 Ca 0.00 -0.40 0.32 0.00 1.31 0.00 0.00 55.95 57.17 2akl s SER 72 Cb 0.00 -1.04 1.82 0.00 0.21 0.00 0.00 66.02 67.01 2akl s SER 72 CO 0.00 0.07 2.18 -1.20 0.41 0.00 0.00 173.24 174.70 2akl n SER 73 N -0.29 0.05 -4.77 2.44 7.64 -1.26 -4.73 113.62 112.71 2akl n SER 73 Ca -0.09 -0.87 -0.39 0.00 1.01 0.00 0.00 58.87 58.53 2akl n SER 73 Cb 0.56 -0.05 -0.06 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 -2.10 4.53 -0.10 -3.43 2.01 -1.26 -5.01 118.68 113.32 2akl s LEU 74 Ca 0.44 1.84 0.01 0.00 0.01 0.00 0.00 54.13 56.43 2akl s LEU 74 Cb 0.22 -3.69 -0.02 0.00 0.01 0.00 0.00 46.19 42.70 2akl s LEU 74 CO 0.38 0.09 -0.11 -0.69 1.01 0.00 0.00 176.35 177.03 2akl s VAL 75 N -1.33 3.29 -0.72 -1.59 1.01 -1.26 -3.00 120.40 116.80 2akl s VAL 75 Ca 0.43 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 2akl s VAL 75 Cb -0.23 -2.36 0.05 0.00 0.00 0.00 0.00 36.38 33.84 2akl s VAL 75 CO 0.28 0.55 1.15 -0.69 0.00 0.00 0.00 175.10 176.39 2akl s VAL 76 N -0.19 4.01 0.04 2.92 1.01 0.22 -4.96 120.40 123.45 2akl s VAL 76 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2akl s VAL 76 Cb -0.13 -4.82 -0.04 0.00 0.00 0.00 0.00 36.38 31.39 2akl s VAL 76 CO 0.03 -1.68 0.15 -1.59 0.00 0.00 0.00 175.10 172.01 2akl s LYS 77 N 4.93 3.23 -0.76 2.72 0.00 -1.26 0.62 119.74 129.22 2akl s LYS 77 Ca 0.30 -0.49 -0.25 0.00 0.00 0.00 0.00 55.97 55.52 2akl s LYS 77 Cb -0.11 -2.94 -0.16 0.00 0.00 0.00 0.00 37.83 34.62 2akl s LYS 77 CO 0.12 0.62 2.46 1.55 0.00 0.00 0.00 175.35 180.09 2akl n VAL 78 N 0.58 -0.04 0.00 1.79 3.14 -0.98 -0.09 118.33 122.74 2akl n VAL 78 Ca -0.08 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 2akl n VAL 78 Cb 0.52 -1.65 0.00 0.00 -1.06 0.00 0.00 33.84 31.65 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 -0.22 3.57 7.55 0.00 0.41 -4.94 105.19 117.79 2akl n GLY 79 Ca 0.51 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.71 3.10 -0.33 2.61 2.01 0.88 -4.85 115.64 118.36 2akl s THR 80 Ca 0.00 0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.85 2akl s THR 80 Cb 0.00 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.32 2akl s THR 80 CO 0.00 -0.16 0.77 -0.75 -0.69 0.00 0.00 174.62 173.79 2akl s LYS 81 N 7.19 3.88 -0.17 4.92 2.20 -1.26 -2.89 119.74 133.61 2akl s LYS 81 Ca 0.93 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 2akl s LYS 81 Cb -0.22 -3.76 0.04 0.00 -1.51 0.00 0.00 37.83 32.37 2akl s LYS 81 CO 0.29 -0.73 -0.11 0.08 -0.36 0.00 0.00 175.35 174.53 2akl s VAL 82 N 2.98 1.51 0.29 4.02 1.01 -0.66 -4.98 120.40 124.58 2akl s VAL 82 Ca 0.31 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2akl s VAL 82 Cb -0.14 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2akl s VAL 82 CO 0.14 0.26 0.28 -1.59 0.00 0.00 0.00 175.10 174.19 2akl s LYS 83 N 1.47 2.93 -0.94 2.72 -2.85 -1.26 -0.64 119.74 121.17 2akl s LYS 83 Ca 0.01 -1.11 -0.05 0.00 -1.00 0.00 0.00 55.97 53.82 2akl s LYS 83 Cb -0.15 -2.59 0.01 0.00 -2.06 0.00 0.00 37.83 33.03 2akl s LYS 83 CO -0.09 0.25 0.68 0.09 0.10 0.00 0.00 175.35 176.38 2akl n ASN 84 N -1.33 -4.82 -3.38 0.03 3.02 0.73 -4.61 115.26 104.90 2akl n ASN 84 Ca -0.05 -0.31 -0.27 0.00 -0.03 0.00 0.00 54.58 53.93 2akl n ASN 84 Cb 0.59 -3.49 0.23 0.00 -0.61 0.00 0.00 39.78 36.50 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 -4.14 0.00 -4.47 2.41 -5.35 -1.05 -4.37 119.36 102.39 2akl n ILE 85 Ca -0.02 -0.33 -0.24 0.00 -0.27 0.00 0.00 62.75 61.90 2akl n ILE 85 Cb 0.55 -1.13 -0.17 0.00 -1.74 0.00 0.00 39.64 37.15 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 -5.12 1.50 -0.17 6.28 6.06 0.24 -0.29 118.95 127.44 2akl s ARG 86 Ca 0.62 -0.34 -0.25 0.00 -2.50 0.00 0.00 55.73 53.27 2akl s ARG 86 Cb -0.07 -1.28 -0.02 0.00 0.06 0.00 0.00 34.95 33.64 2akl s ARG 86 CO 0.49 -0.01 0.81 -0.51 -2.50 0.00 0.00 175.30 173.58 2akl s LEU 87 N 0.75 4.17 0.44 -0.88 1.43 -1.26 -0.74 118.68 122.59 2akl s LEU 87 Ca -0.13 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2akl s LEU 87 Cb -0.15 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 2akl s LEU 87 CO 0.03 -0.38 0.66 -0.69 0.23 0.00 0.00 176.35 176.19 2akl s VAL 88 N 2.10 4.12 -0.62 -1.59 1.01 -1.12 -4.96 120.40 119.34 2akl s VAL 88 Ca 0.37 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 2akl s VAL 88 Cb -0.16 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.71 2akl s VAL 88 CO 0.12 -0.36 1.46 -1.81 0.00 0.00 0.00 175.10 174.51 2akl s ASP 89 N -4.20 5.97 0.00 3.32 1.01 -1.26 -4.81 116.67 116.71 2akl s ASP 89 Ca 0.48 0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.82 2akl s ASP 89 Cb -0.10 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2akl s ASP 89 CO 0.38 -1.87 0.00 0.61 0.21 0.00 0.00 175.17 174.49 2akl n GLY 90 N 5.38 -1.21 0.18 0.21 0.00 -1.26 -5.01 105.19 103.48 2akl n GLY 90 Ca 0.11 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 2akl n GLY 90 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2akl n ASP 91 N 1.97 1.95 -3.03 1.61 5.75 -1.26 -4.61 116.55 118.93 2akl n ASP 91 Ca 0.00 0.11 -0.36 0.00 -0.01 0.00 0.00 54.79 54.53 2akl n ASP 91 Cb 0.00 -0.56 0.01 0.00 -1.03 0.00 0.00 41.12 39.54 2akl n ASP 91 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2akl n HIS 92 N -3.68 3.17 -3.61 2.11 8.25 -1.26 -4.40 115.22 115.80 2akl n HIS 92 Ca -0.45 -2.79 -0.29 0.00 -0.26 0.00 0.00 57.72 53.93 2akl n HIS 92 Cb 0.89 -0.87 -0.13 0.00 1.12 0.00 0.00 29.99 30.99 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 -1.99 3.50 -0.16 0.41 1.01 -1.26 -4.53 116.67 113.65 2akl s ASP 93 Ca 0.47 -2.03 0.00 0.00 0.71 0.00 0.00 52.55 51.71 2akl s ASP 93 Cb 0.34 -0.67 0.03 0.00 1.01 0.00 0.00 42.92 43.63 2akl s ASP 93 CO -0.25 -0.34 -0.10 -0.63 0.21 0.00 0.00 175.17 174.05 2akl s ILE 94 N 1.18 1.43 -0.12 0.77 1.01 -1.13 -2.81 121.20 121.52 2akl s ILE 94 Ca 0.14 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 59.94 2akl s ILE 94 Cb -0.21 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 2akl s ILE 94 CO -0.12 0.29 0.36 -0.62 0.00 0.00 0.00 174.94 174.86 2akl s ASP 95 N 1.52 6.57 -0.01 3.58 2.15 0.08 -1.64 116.67 128.91 2akl s ASP 95 Ca 0.02 0.67 0.02 0.00 0.43 0.00 0.00 52.55 53.69 2akl s ASP 95 Cb -0.14 -2.22 -0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2akl s ASP 95 CO -0.09 0.12 -0.07 0.00 -0.17 0.00 0.00 175.17 174.95 2akl s LYS 97 N -0.06 3.44 -0.24 0.00 1.02 -1.26 -0.68 119.74 121.96 2akl s LYS 97 Ca 0.01 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.37 2akl s LYS 97 Cb -0.04 -2.79 0.06 0.00 -0.52 0.00 0.00 37.83 34.54 2akl s LYS 97 CO -0.00 0.10 -0.05 0.42 -0.92 0.00 0.00 175.35 174.90 2akl s ILE 98 N 0.67 1.60 -0.80 2.17 1.01 -0.42 -4.85 121.20 120.56 2akl s ILE 98 Ca -0.05 -1.29 -0.25 0.00 0.00 0.00 0.00 60.65 59.06 2akl s ILE 98 Cb -0.15 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 2akl s ILE 98 CO 0.02 -0.12 1.70 -0.62 0.00 0.00 0.00 174.94 175.93 2akl s ASP 99 N 1.36 5.62 0.00 3.58 2.15 -1.26 -1.42 116.67 126.70 2akl s ASP 99 Ca -0.05 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 52.46 2akl s ASP 99 Cb -0.19 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2akl s ASP 99 CO -0.06 -2.23 0.00 0.61 -0.17 0.00 0.00 175.17 173.31 2akl n GLY 100 N 6.23 0.39 0.15 2.66 0.00 -1.26 -4.94 105.19 108.43 2akl n GLY 100 Ca 0.26 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.27 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 1.17 -0.55 -0.61 -5.35 -1.21 -5.13 119.36 107.68 2akl n ILE 101 Ca 0.00 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 2akl n ILE 101 Cb 0.00 -1.35 0.00 0.00 -1.74 0.00 0.00 39.64 36.55 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 2.33 0.73 3.82 3.28 0.00 -0.51 -5.06 105.19 109.78 2akl n GLY 102 Ca -0.38 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 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 3.47 0.08 4.61 0.00 -1.26 -1.31 121.76 126.36 2akl s ALA 103 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.06 2akl s ALA 103 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 2akl s ALA 103 CO 0.00 0.37 -0.08 1.41 0.00 0.00 0.00 175.76 177.45 2akl s MET 104 N -1.93 0.77 -0.04 0.00 0.00 0.15 -4.94 119.30 113.30 2akl s MET 104 Ca 0.41 -1.12 -0.03 0.00 0.00 0.00 0.00 55.69 54.94 2akl s MET 104 Cb -0.16 -0.37 -0.04 0.00 0.00 0.00 0.00 34.83 34.26 2akl s MET 104 CO 0.20 0.04 0.14 -1.59 0.00 0.00 0.00 175.02 173.81 2akl s LYS 105 N -2.84 3.33 -0.03 4.11 0.00 -1.26 -1.96 119.74 121.09 2akl s LYS 105 Ca 0.04 -0.31 0.03 0.00 0.00 0.00 0.00 55.97 55.73 2akl s LYS 105 Cb -0.02 -3.05 -0.00 0.00 0.00 0.00 0.00 37.83 34.76 2akl s LYS 105 CO -0.01 0.70 -0.11 -0.51 0.00 0.00 0.00 175.35 175.41 2akl s LEU 106 N -1.59 1.86 -0.36 2.77 1.43 -0.65 -5.00 118.68 117.13 2akl s LEU 106 Ca 0.22 -0.22 -0.25 0.00 -1.03 0.00 0.00 54.13 52.85 2akl s LEU 106 Cb -0.12 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.47 2akl s LEU 106 CO 0.13 0.10 0.89 -0.54 0.23 0.00 0.00 176.35 177.15 2akl s LYS 107 N 0.07 3.84 0.39 1.70 1.02 -1.26 -2.85 119.74 122.65 2akl s LYS 107 Ca -0.02 0.54 0.13 0.00 0.02 0.00 0.00 55.97 56.65 2akl s LYS 107 Cb -0.08 -3.79 0.96 0.00 -0.52 0.00 0.00 37.83 34.39 2akl s LYS 107 CO 0.01 -0.90 1.88 0.66 -0.92 0.00 0.00 175.35 176.07 2akl h SER 108 N 8.43 0.51 0.10 2.83 4.64 -1.83 0.34 113.55 128.56 2akl h SER 108 Ca -0.23 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2akl h SER 108 Cb 1.08 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2akl h SER 108 CO 0.96 0.24 0.00 -1.84 -0.87 0.00 0.00 176.83 175.32 2akl n GLU 109 N -4.53 0.15 -0.03 4.77 0.28 -1.26 -1.57 120.64 118.44 2akl n GLU 109 Ca 0.17 0.61 0.04 0.00 -0.16 0.00 0.00 57.16 57.82 2akl n GLU 109 Cb 0.55 -1.94 0.06 0.00 1.43 0.00 0.00 31.44 31.53 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 -2.25 0.08 -4.15 -1.84 3.72 0.12 -4.43 117.46 108.71 2akl n PHE 110 Ca -0.01 -0.11 -0.25 0.00 -0.05 0.00 0.00 57.45 57.03 2akl n PHE 110 Cb 0.06 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.52 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 2.26 -0.02 -4.37 -7.23 -0.61 -1.22 120.40 108.42 2akl s VAL 111 Ca 0.12 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 2akl s VAL 111 Cb 0.08 -2.97 0.01 0.00 0.56 0.00 0.00 36.38 34.05 2akl s VAL 111 CO 0.11 0.00 0.07 -0.60 -0.31 0.00 0.00 175.10 174.37 2akl s ARG 112 N -3.90 0.12 0.32 4.82 3.52 0.60 -2.22 118.95 122.21 2akl s ARG 112 Ca 0.40 0.03 -0.28 0.00 -0.13 0.00 0.00 55.73 55.75 2akl s ARG 112 Cb 0.04 0.06 -0.10 0.00 -1.56 0.00 0.00 34.95 33.39 2akl s ARG 112 CO 0.22 -0.02 1.18 0.21 -0.81 0.00 0.00 175.30 176.09 2akl s LYS 113 N -0.14 4.44 -0.21 5.12 2.20 -1.26 0.41 119.74 130.30 2akl s LYS 113 Ca -0.02 1.95 -0.10 0.00 -0.36 0.00 0.00 55.97 57.45 2akl s LYS 113 Cb -0.02 -3.05 -0.09 0.00 -1.51 0.00 0.00 37.83 33.16 2akl s LYS 113 CO 0.00 -0.02 -0.26 0.28 -0.36 0.00 0.00 175.35 174.98 2akl n VAL 114 N 0.85 1.14 -2.35 4.02 0.31 -0.59 -4.78 118.33 116.92 2akl n VAL 114 Ca 0.00 -0.30 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 2akl n VAL 114 Cb 0.44 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 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 1.74 -0.08 0.00 2.92 0.00 -1.10 -5.03 105.19 103.64 2akl n GLY 115 Ca -0.41 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76