#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 0.05 -2.06 3.17 3.14 -1.26 -4.86 118.33 116.51 2akl n VAL 2 Ca 0.00 -0.10 -0.41 0.00 -2.96 0.00 0.00 64.34 60.87 2akl n VAL 2 Cb 0.00 -0.11 -0.02 0.00 -1.06 0.00 0.00 33.84 32.65 2akl n VAL 2 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2akl s SER 3 N -1.65 6.70 -0.14 6.55 0.01 -1.26 -4.91 113.70 119.01 2akl s SER 3 Ca 0.32 2.70 0.16 0.00 1.31 0.00 0.00 55.95 60.44 2akl s SER 3 Cb 0.15 -2.64 0.67 0.00 0.21 0.00 0.00 66.02 64.41 2akl s SER 3 CO 0.25 -0.62 1.58 1.07 0.41 0.00 0.00 173.24 175.94 2akl n THR 4 N 1.39 2.06 -2.47 1.44 5.66 -1.26 -5.00 114.28 116.10 2akl n THR 4 Ca 0.03 -1.37 -0.34 0.00 -3.05 0.00 0.00 64.05 59.32 2akl n THR 4 Cb 0.41 -0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.16 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 -2.17 3.79 0.77 1.09 1.43 -1.26 -5.04 118.68 117.28 2akl s LEU 5 Ca 0.47 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.36 2akl s LEU 5 Cb 0.33 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 42.05 2akl s LEU 5 CO 0.19 -0.82 1.08 -2.16 0.23 0.00 0.00 176.35 174.87 2akl s PRO 6 N -3.39 2.29 0.00 1.29 0.04 -1.26 -5.07 135.00 128.91 2akl s PRO 6 Ca 0.66 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2akl s PRO 6 Cb -0.16 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2akl s PRO 6 CO 0.23 -1.55 0.00 -0.35 0.04 0.00 0.00 177.00 175.37 2akl n PRO 7 N -3.43 -1.40 -3.66 0.56 -0.04 -1.26 -4.86 135.00 120.91 2akl n PRO 7 Ca 0.08 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.18 2akl n PRO 7 Cb 0.54 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.92 2akl n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2akl n PRO 9 N 3.68 0.46 -0.01 0.00 -0.04 -1.26 0.50 135.00 138.33 2akl n PRO 9 Ca -0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.29 2akl n PRO 9 Cb 0.52 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.64 0.32 -0.09 0.54 6.02 -1.26 -4.87 117.38 117.39 2akl n GLN 10 Ca 0.03 0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.86 2akl n GLN 10 Cb 0.01 -1.06 -0.07 0.00 1.02 0.00 0.00 30.24 30.14 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 -3.51 0.00 0.00 0.00 5.15 0.18 -4.91 115.26 112.17 2akl n ASN 12 Ca -0.35 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 2akl n ASN 12 Cb 0.80 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 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 0.00 0.00 0.00 1.20 7.64 -1.26 -4.69 113.62 116.51 2akl n SER 13 Ca 0.00 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2akl n SER 13 Cb 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.99 0.00 -0.60 1.43 0.28 -1.26 -4.98 120.64 114.52 2akl n GLU 14 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 2akl n GLU 14 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 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 0.10 -4.05 -1.84 4.01 -1.26 -4.80 117.16 109.32 2akl n TYR 15 Ca 0.00 -1.14 -0.32 0.00 -0.16 0.00 0.00 57.90 56.29 2akl n TYR 15 Cb 0.00 -0.70 -0.06 0.00 -0.31 0.00 0.00 39.34 38.27 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 -0.01 4.74 0.30 -0.72 2.01 -1.26 -3.75 115.64 116.95 2akl s THR 16 Ca 0.12 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.49 2akl s THR 16 Cb 0.06 -3.24 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 2akl s THR 16 CO -0.00 0.22 0.45 -0.72 -0.69 0.00 0.00 174.62 173.88 2akl s TYR 17 N -1.32 0.81 -0.28 4.92 1.13 -1.11 -5.00 117.35 116.50 2akl s TYR 17 Ca 0.27 -1.10 -0.08 0.00 -1.41 0.00 0.00 57.07 54.76 2akl s TYR 17 Cb -0.12 -0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.71 2akl s TYR 17 CO 0.19 -1.05 0.10 -1.83 -2.51 0.00 0.00 175.55 170.45 2akl s GLU 18 N -3.46 3.46 -0.79 -3.49 -1.05 -1.26 -1.35 118.70 110.76 2akl s GLU 18 Ca 0.28 -0.62 0.02 0.00 -0.15 0.00 0.00 54.97 54.51 2akl s GLU 18 Cb 0.00 -3.41 0.20 0.00 -0.44 0.00 0.00 34.13 30.48 2akl s GLU 18 CO 0.15 -0.30 0.66 -3.47 0.95 0.00 0.00 175.26 173.25 2akl n ASP 19 N 4.93 3.65 0.00 0.83 2.03 -1.14 -4.96 116.55 121.89 2akl n ASP 19 Ca -0.15 -3.21 0.00 0.00 0.52 0.00 0.00 54.79 51.95 2akl n ASP 19 Cb 0.50 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 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 1.99 1.04 0.73 0.27 0.00 -1.26 -4.26 105.19 103.70 2akl n GLY 20 Ca 0.22 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 2.49 2.73 -3.47 4.61 0.00 -1.26 -5.01 120.51 120.61 2akl n ALA 21 Ca 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 53.44 51.35 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 -0.41 0.00 -4.53 0.00 -0.00 -1.26 -5.01 117.00 105.79 2akl n LEU 22 Ca 0.18 -1.46 -0.34 0.00 -0.00 0.00 0.00 56.01 54.39 2akl n LEU 22 Cb 0.76 1.99 -0.12 0.00 -0.00 0.00 0.00 43.42 46.05 2akl n LEU 22 CO 0.12 -0.45 -0.33 -0.76 -0.00 0.00 0.00 177.39 175.96 2akl s LEU 23 N 0.00 3.37 -0.14 1.47 1.43 -0.44 -2.89 118.68 121.49 2akl s LEU 23 Ca 0.10 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2akl s LEU 23 Cb -0.02 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 2akl s LEU 23 CO 0.08 0.17 -0.17 -0.69 0.23 0.00 0.00 176.35 175.97 2akl s VAL 24 N 0.35 2.58 -0.45 -1.59 1.01 -0.46 -0.38 120.40 121.46 2akl s VAL 24 Ca -0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 2akl s VAL 24 Cb -0.14 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.25 2akl s VAL 24 CO 0.02 0.53 0.33 0.00 0.00 0.00 0.00 175.10 175.99 2akl n PRO 26 N 5.09 0.10 0.26 0.00 -0.04 -1.25 -1.55 135.00 137.61 2akl n PRO 26 Ca -0.11 0.35 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2akl n PRO 26 Cb 0.44 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.68 -0.64 0.54 4.81 -1.91 -3.30 114.58 113.41 2akl h GLU 27 Ca 0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2akl h GLU 27 Cb 0.31 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2akl h GLU 27 CO 0.00 -0.41 0.00 0.00 -0.73 0.00 0.00 179.01 177.87 2akl n ALA 29 N 1.09 -0.48 -2.92 0.00 0.00 -0.59 -4.98 120.51 112.64 2akl n ALA 29 Ca 0.25 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 2akl n ALA 29 Cb 0.87 -1.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.86 0.03 0.59 0.00 5.04 -1.00 -5.01 115.29 112.08 2akl s HIS 30 Ca 0.00 -0.06 0.07 0.00 -1.54 0.00 0.00 55.06 53.53 2akl s HIS 30 Cb 0.00 -0.03 0.09 0.00 0.04 0.00 0.00 32.58 32.68 2akl s HIS 30 CO 0.00 -0.06 0.81 -1.83 -2.34 0.00 0.00 174.74 171.33 2akl s GLU 31 N -0.32 2.23 -0.09 2.88 4.04 -1.26 -1.97 118.70 124.21 2akl s GLU 31 Ca -0.04 -1.47 -0.32 0.00 0.04 0.00 0.00 54.97 53.18 2akl s GLU 31 Cb -0.02 -2.59 0.12 0.00 0.02 0.00 0.00 34.13 31.66 2akl s GLU 31 CO -0.00 -0.92 1.11 1.67 -1.84 0.00 0.00 175.26 175.27 2akl s TRP 32 N -2.74 -0.18 -0.11 4.83 1.48 0.49 -4.90 118.94 117.81 2akl s TRP 32 Ca 0.62 0.08 0.03 0.00 -1.06 0.00 0.00 56.10 55.78 2akl s TRP 32 Cb -0.06 0.53 -0.00 0.00 -1.16 0.00 0.00 33.47 32.78 2akl s TRP 32 CO 0.40 -0.36 -0.22 0.45 -4.06 0.00 0.00 176.95 173.16 2akl s SER 33 N -2.42 3.24 0.17 -2.66 0.15 -1.26 -1.32 113.70 109.60 2akl s SER 33 Ca 0.09 -0.52 -0.15 0.00 0.70 0.00 0.00 55.95 56.07 2akl s SER 33 Cb -0.00 -1.44 0.13 0.00 -1.71 0.00 0.00 66.02 62.99 2akl s SER 33 CO -0.05 0.16 1.73 1.55 1.20 0.00 0.00 173.24 177.82 2akl h PRO 34 N 6.73 0.22 0.00 5.44 0.13 -1.97 -1.29 132.00 141.26 2akl h PRO 34 Ca -0.20 -0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.63 2akl h PRO 34 Cb 1.23 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2akl h PRO 34 CO 0.49 0.14 -2.06 -1.71 -0.23 0.00 0.00 178.00 174.63 2akl n ASN 35 N -5.09 1.40 0.00 1.44 5.15 -1.26 -4.43 115.26 112.46 2akl n ASN 35 Ca 0.03 -0.01 0.14 0.00 -0.60 0.00 0.00 54.58 54.14 2akl n ASN 35 Cb 0.19 0.71 0.76 0.00 -0.53 0.00 0.00 39.78 40.92 2akl n ASN 35 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2akl n GLU 36 N -2.64 0.62 -0.00 1.20 4.71 -1.21 -1.32 120.64 122.00 2akl n GLU 36 Ca -0.26 0.02 -0.13 0.00 -0.01 0.00 0.00 57.16 56.78 2akl n GLU 36 Cb 0.98 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.82 2akl n GLU 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2akl h ALA 37 N 3.51 0.02 0.07 0.62 0.00 -1.44 -3.20 119.26 118.83 2akl h ALA 37 Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 2akl h ALA 37 Cb 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2akl h ALA 37 CO 0.00 -0.30 -1.24 0.00 0.00 0.00 0.00 179.25 177.71 2akl h ALA 38 N 0.65 0.29 -0.63 0.00 0.00 -1.82 -3.48 119.26 114.27 2akl h ALA 38 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.93 2akl h ALA 38 Cb 0.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2akl h ALA 38 CO 0.00 1.16 0.00 2.41 0.00 0.00 0.00 179.25 182.83 2akl n THR 39 N -3.40 0.00 0.00 0.00 -1.04 -0.44 -3.21 114.28 106.19 2akl n THR 39 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2akl n THR 39 Cb 1.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.51 2akl n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2akl n ALA 40 N 2.64 0.00 -2.01 2.41 0.00 -1.26 -4.87 120.51 117.42 2akl n ALA 40 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2akl n ALA 40 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2akl n ALA 40 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2akl s SER 41 N 0.00 5.02 0.22 0.00 1.04 -1.20 -4.76 113.70 114.02 2akl s SER 41 Ca 0.00 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2akl s SER 41 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2akl s SER 41 CO 0.00 -2.89 0.00 -0.67 0.98 0.00 0.00 173.24 170.66 2akl n ASP 42 N 14.41 -5.20 -0.00 7.02 -0.08 -1.26 -4.74 116.55 126.70 2akl n ASP 42 Ca 0.41 0.40 0.06 0.00 -1.51 0.00 0.00 54.79 54.15 2akl n ASP 42 Cb 0.47 -2.68 -0.08 0.00 2.34 0.00 0.00 41.12 41.16 2akl n ASP 42 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2akl n ASP 43 N -3.09 2.07 -1.12 1.67 8.00 -1.26 -5.04 116.55 117.79 2akl n ASP 43 Ca -0.00 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.37 2akl n ASP 43 Cb 0.40 1.44 0.00 0.00 -0.02 0.00 0.00 41.12 42.94 2akl n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2akl n GLY 44 N 1.75 0.79 0.13 0.44 0.00 -1.26 -4.79 105.19 102.24 2akl n GLY 44 Ca -0.01 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 2akl n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2akl h LYS 45 N 0.00 0.35 -5.82 1.61 6.56 -1.89 -3.26 116.57 114.12 2akl h LYS 45 Ca 0.00 -0.60 -0.58 0.00 -1.06 0.00 0.00 60.65 58.41 2akl h LYS 45 Cb 0.82 0.22 -0.08 0.00 -0.57 0.00 0.00 32.23 32.63 2akl h LYS 45 CO 0.00 1.25 0.13 0.54 -2.06 0.00 0.00 179.45 179.31 2akl s VAL 46 N -2.61 5.02 0.20 0.50 0.11 -1.26 -4.75 120.40 117.61 2akl s VAL 46 Ca -0.09 1.31 -0.30 0.00 -2.93 0.00 0.00 61.98 59.97 2akl s VAL 46 Cb 0.06 -3.99 -0.08 0.00 -1.53 0.00 0.00 36.38 30.84 2akl s VAL 46 CO 0.88 0.16 1.04 -0.63 -3.33 0.00 0.00 175.10 173.22 2akl s ILE 47 N 1.51 3.93 0.45 7.04 -1.09 -1.26 -4.99 121.20 126.79 2akl s ILE 47 Ca 0.32 1.77 0.03 0.00 -2.23 0.00 0.00 60.65 60.54 2akl s ILE 47 Cb -0.16 -4.13 -0.02 0.00 -1.58 0.00 0.00 42.46 36.57 2akl s ILE 47 CO 0.13 0.35 0.06 -0.75 -1.23 0.00 0.00 174.94 173.50 2akl s LYS 48 N -0.70 2.04 0.54 2.79 2.20 -1.26 -2.18 119.74 123.17 2akl s LYS 48 Ca 0.46 -2.26 0.04 0.00 -0.36 0.00 0.00 55.97 53.84 2akl s LYS 48 Cb -0.28 -1.09 0.03 0.00 -1.51 0.00 0.00 37.83 34.97 2akl s LYS 48 CO 0.35 -0.39 0.28 -0.51 -0.36 0.00 0.00 175.35 174.72 2akl s ASP 49 N -3.73 4.47 0.00 1.43 1.01 0.55 -4.61 116.67 115.79 2akl s ASP 49 Ca 0.17 -1.41 0.29 0.00 0.71 0.00 0.00 52.55 52.30 2akl s ASP 49 Cb 0.03 0.54 1.19 0.00 1.01 0.00 0.00 42.92 45.69 2akl s ASP 49 CO 0.10 -1.06 1.87 -0.24 0.21 0.00 0.00 175.17 176.04 2akl n SER 50 N -1.63 0.14 0.07 0.27 2.88 -0.36 -3.07 113.62 111.93 2akl n SER 50 Ca -0.08 0.09 0.12 0.00 -1.33 0.00 0.00 58.87 57.67 2akl n SER 50 Cb 0.65 -0.28 0.03 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.37 0.44 0.00 2.46 0.31 -1.26 -4.94 118.33 113.97 2akl n VAL 51 Ca 0.09 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 2akl n VAL 51 Cb 0.31 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 1.26 0.51 3.91 2.92 0.00 -1.17 -5.08 105.19 107.53 2akl n GLY 52 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.69 5.11 -0.06 1.61 0.01 -1.26 -4.75 114.94 112.91 2akl s ASN 53 Ca 0.00 0.74 0.04 0.00 -0.71 0.00 0.00 52.86 52.93 2akl s ASN 53 Cb 0.00 -1.49 -0.02 0.00 0.41 0.00 0.00 41.25 40.16 2akl s ASN 53 CO 0.00 -1.45 -0.19 -0.69 -1.51 0.00 0.00 177.10 173.26 2akl s VAL 54 N -3.26 2.59 0.58 1.60 1.01 -1.26 -0.33 120.40 121.33 2akl s VAL 54 Ca 0.58 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.74 2akl s VAL 54 Cb -0.11 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.35 2akl s VAL 54 CO 0.47 0.57 0.80 -0.76 0.00 0.00 0.00 175.10 176.19 2akl s LEU 55 N -0.32 3.19 0.08 3.92 2.01 -0.93 -5.01 118.68 121.62 2akl s LEU 55 Ca 0.02 -0.55 0.05 0.00 0.01 0.00 0.00 54.13 53.66 2akl s LEU 55 Cb -0.13 -2.05 -0.03 0.00 0.01 0.00 0.00 46.19 43.99 2akl s LEU 55 CO 0.02 -1.36 -0.13 -1.58 1.01 0.00 0.00 176.35 174.32 2akl s GLN 56 N -4.75 0.81 -0.88 1.70 0.74 -1.26 -4.84 119.66 111.18 2akl s GLN 56 Ca 0.61 -0.99 -0.25 0.00 0.05 0.00 0.00 55.36 54.79 2akl s GLN 56 Cb -0.07 -0.74 -0.02 0.00 1.10 0.00 0.00 33.01 33.28 2akl s GLN 56 CO 0.39 0.16 1.79 0.34 -0.55 0.00 0.00 175.29 177.42 2akl s ASP 57 N -1.88 5.52 0.00 6.67 -1.08 -1.26 -1.46 116.67 123.18 2akl s ASP 57 Ca -0.01 -0.70 0.00 0.00 -0.52 0.00 0.00 52.55 51.32 2akl s ASP 57 Cb -0.09 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2akl s ASP 57 CO 0.02 -2.37 0.00 0.61 0.52 0.00 0.00 175.17 173.95 2akl n GLY 58 N 6.62 1.06 3.66 2.66 0.00 -0.45 -4.87 105.19 113.87 2akl n GLY 58 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.63 2.46 -0.14 1.61 -1.08 -0.53 -2.43 116.67 115.92 2akl s ASP 59 Ca 0.00 1.25 -0.08 0.00 -0.52 0.00 0.00 52.55 53.20 2akl s ASP 59 Cb 0.00 -1.93 -0.04 0.00 -1.46 0.00 0.00 42.92 39.49 2akl s ASP 59 CO 0.00 -3.24 0.13 -0.89 0.52 0.00 0.00 175.17 171.70 2akl s THR 60 N -2.90 5.46 0.29 1.71 2.01 -1.26 -0.49 115.64 120.45 2akl s THR 60 Ca 0.66 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.92 2akl s THR 60 Cb -0.19 -3.41 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 2akl s THR 60 CO 0.58 0.57 -0.04 0.27 -0.69 0.00 0.00 174.62 175.31 2akl s ILE 61 N -0.65 1.60 -0.12 1.82 -5.25 0.30 -0.78 121.20 118.12 2akl s ILE 61 Ca 0.13 -2.11 -0.05 0.00 -0.99 0.00 0.00 60.65 57.63 2akl s ILE 61 Cb -0.12 -2.50 0.06 0.00 2.95 0.00 0.00 42.46 42.85 2akl s ILE 61 CO 0.02 -0.26 0.27 -0.89 -1.79 0.00 0.00 174.94 172.29 2akl s THR 62 N -3.03 -0.22 0.12 8.37 2.01 0.13 -1.76 115.64 121.25 2akl s THR 62 Ca 0.30 0.20 -0.31 0.00 0.31 0.00 0.00 61.69 62.19 2akl s THR 62 Cb 0.04 -0.44 -0.08 0.00 0.01 0.00 0.00 72.50 72.03 2akl s THR 62 CO 0.12 0.08 1.45 0.54 -0.69 0.00 0.00 174.62 176.12 2akl s VAL 63 N 1.82 3.14 -0.34 3.82 0.11 -1.16 0.22 120.40 128.00 2akl s VAL 63 Ca -0.05 0.80 0.15 0.00 -2.93 0.00 0.00 61.98 59.95 2akl s VAL 63 Cb -0.11 -3.51 0.77 0.00 -1.53 0.00 0.00 36.38 32.00 2akl s VAL 63 CO -0.09 0.06 1.69 2.30 -3.33 0.00 0.00 175.10 175.73 2akl n ILE 64 N 4.02 2.59 -4.12 7.04 -0.00 0.01 0.10 119.36 129.00 2akl n ILE 64 Ca 0.12 -1.45 -0.09 0.00 -0.00 0.00 0.00 62.75 61.34 2akl n ILE 64 Cb 0.41 -0.22 -0.10 0.00 -0.00 0.00 0.00 39.64 39.73 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 -2.67 0.73 -0.37 6.28 3.01 -1.26 -4.75 119.74 120.71 2akl s LYS 65 Ca 0.53 -1.29 -0.23 0.00 -1.01 0.00 0.00 55.97 53.97 2akl s LYS 65 Cb 0.40 0.09 0.01 0.00 -1.01 0.00 0.00 37.83 37.31 2akl s LYS 65 CO 0.16 -0.10 0.78 0.16 0.51 0.00 0.00 175.35 176.85 2akl s ASP 66 N -2.98 6.53 0.10 2.83 -4.77 -1.26 -2.56 116.67 114.57 2akl s ASP 66 Ca 0.11 0.31 0.08 0.00 -3.30 0.00 0.00 52.55 49.75 2akl s ASP 66 Cb 0.07 -2.39 -0.03 0.00 -1.09 0.00 0.00 42.92 39.48 2akl s ASP 66 CO -0.07 -0.74 -0.21 -0.76 0.70 0.00 0.00 175.17 174.09 2akl s LEU 67 N 3.09 2.29 0.79 2.11 1.02 0.22 -5.01 118.68 123.21 2akl s LEU 67 Ca 0.31 -0.68 -0.04 0.00 0.02 0.00 0.00 54.13 53.74 2akl s LEU 67 Cb -0.13 -0.90 0.16 0.00 0.02 0.00 0.00 46.19 45.34 2akl s LEU 67 CO 0.17 0.07 1.09 -1.59 0.02 0.00 0.00 176.35 176.11 2akl s LYS 68 N -1.88 1.32 -0.05 1.70 -2.85 -1.26 0.72 119.74 117.44 2akl s LYS 68 Ca 0.07 -1.04 0.02 0.00 -1.00 0.00 0.00 55.97 54.02 2akl s LYS 68 Cb -0.10 -2.21 0.02 0.00 -2.06 0.00 0.00 37.83 33.47 2akl s LYS 68 CO 0.04 -1.76 -0.08 0.08 0.10 0.00 0.00 175.35 173.73 2akl s VAL 69 N -3.35 0.78 0.23 1.79 1.01 -1.24 -4.39 120.40 115.24 2akl s VAL 69 Ca 0.69 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.12 2akl s VAL 69 Cb -0.04 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.50 2akl s VAL 69 CO 0.47 0.27 0.88 -1.59 0.00 0.00 0.00 175.10 175.13 2akl s LYS 70 N 0.72 4.68 0.00 2.72 0.00 -1.26 -3.82 119.74 122.77 2akl s LYS 70 Ca -0.12 1.32 0.00 0.00 0.00 0.00 0.00 55.97 57.17 2akl s LYS 70 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 37.83 34.53 2akl s LYS 70 CO 0.02 0.48 0.00 0.41 0.00 0.00 0.00 175.35 176.26 2akl n GLY 71 N 1.29 2.30 3.90 0.59 0.00 -1.26 -4.93 105.19 107.07 2akl n GLY 71 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2akl n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2akl s SER 72 N -1.93 4.97 -0.14 1.61 1.04 -1.25 -5.00 113.70 113.01 2akl s SER 72 Ca 0.00 -0.86 0.14 0.00 0.48 0.00 0.00 55.95 55.71 2akl s SER 72 Cb 0.00 -0.26 0.66 0.00 0.10 0.00 0.00 66.02 66.52 2akl s SER 72 CO 0.00 -0.83 1.54 -0.24 0.98 0.00 0.00 173.24 174.70 2akl n SER 73 N -1.67 4.56 -4.90 7.02 2.88 -1.26 -4.90 113.62 115.35 2akl n SER 73 Ca 0.04 -2.55 -0.22 0.00 -1.33 0.00 0.00 58.87 54.81 2akl n SER 73 Cb 0.62 -0.59 0.06 0.00 -0.75 0.00 0.00 64.21 63.55 2akl n SER 73 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2akl s LEU 74 N -1.94 3.13 -0.29 2.46 1.02 -1.26 -5.09 118.68 116.71 2akl s LEU 74 Ca 0.46 -0.02 -0.08 0.00 0.02 0.00 0.00 54.13 54.51 2akl s LEU 74 Cb 0.32 -2.70 0.14 0.00 0.02 0.00 0.00 46.19 43.97 2akl s LEU 74 CO 0.19 -1.38 0.62 -0.69 0.02 0.00 0.00 176.35 175.10 2akl s VAL 75 N -2.93 -0.97 -0.87 -1.59 1.01 -1.26 -3.72 120.40 110.08 2akl s VAL 75 Ca 0.60 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.35 2akl s VAL 75 Cb -0.09 -0.97 0.05 0.00 0.00 0.00 0.00 36.38 35.37 2akl s VAL 75 CO 0.41 0.00 1.30 -0.69 0.00 0.00 0.00 175.10 176.12 2akl s VAL 76 N 2.86 3.99 0.04 2.92 1.01 0.22 -4.95 120.40 126.49 2akl s VAL 76 Ca 0.01 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2akl s VAL 76 Cb -0.13 -4.94 -0.04 0.00 0.00 0.00 0.00 36.38 31.28 2akl s VAL 76 CO -0.19 -1.81 -0.01 -1.59 0.00 0.00 0.00 175.10 171.50 2akl s LYS 77 N 4.87 2.65 -0.83 2.72 0.00 -1.26 0.72 119.74 128.62 2akl s LYS 77 Ca 0.38 -0.72 -0.26 0.00 0.00 0.00 0.00 55.97 55.37 2akl s LYS 77 Cb -0.05 -2.59 -0.18 0.00 0.00 0.00 0.00 37.83 35.00 2akl s LYS 77 CO 0.01 0.59 2.51 1.55 0.00 0.00 0.00 175.35 180.00 2akl n VAL 78 N 1.08 -0.03 0.00 1.79 3.14 -1.06 -0.01 118.33 123.24 2akl n VAL 78 Ca -0.13 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 2akl n VAL 78 Cb 0.52 -1.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 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 0.30 3.57 7.55 0.00 0.12 -4.94 105.19 118.02 2akl n GLY 79 Ca 0.56 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 2akl n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2akl s THR 80 N -1.09 3.12 -0.37 2.61 2.01 0.98 -4.85 115.64 118.06 2akl s THR 80 Ca 0.00 0.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.91 2akl s THR 80 Cb 0.00 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.27 2akl s THR 80 CO 0.00 -0.20 0.59 -0.75 -0.69 0.00 0.00 174.62 173.56 2akl s LYS 81 N 7.19 3.58 -0.11 4.92 2.20 -1.26 -3.00 119.74 133.25 2akl s LYS 81 Ca 0.91 -0.11 -0.01 0.00 -0.36 0.00 0.00 55.97 56.40 2akl s LYS 81 Cb -0.22 -3.83 0.03 0.00 -1.51 0.00 0.00 37.83 32.30 2akl s LYS 81 CO 0.29 -0.75 -0.03 0.08 -0.36 0.00 0.00 175.35 174.58 2akl s VAL 82 N 2.59 0.77 0.42 4.02 1.01 -0.72 -4.99 120.40 123.49 2akl s VAL 82 Ca 0.22 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.04 2akl s VAL 82 Cb -0.15 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2akl s VAL 82 CO 0.15 0.24 0.29 -1.59 0.00 0.00 0.00 175.10 174.19 2akl s LYS 83 N 1.80 2.39 -1.07 2.72 -2.85 -1.26 -0.54 119.74 120.93 2akl s LYS 83 Ca 0.04 -1.69 -0.02 0.00 -1.00 0.00 0.00 55.97 53.29 2akl s LYS 83 Cb -0.13 -2.19 0.00 0.00 -2.06 0.00 0.00 37.83 33.45 2akl s LYS 83 CO -0.07 -0.18 0.33 0.09 0.10 0.00 0.00 175.35 175.62 2akl n ASN 84 N -1.42 -4.53 -3.91 0.03 3.02 0.35 -4.81 115.26 103.98 2akl n ASN 84 Ca 0.01 -0.16 -0.30 0.00 -0.03 0.00 0.00 54.58 54.11 2akl n ASN 84 Cb 0.63 -3.46 0.26 0.00 -0.61 0.00 0.00 39.78 36.60 2akl n ASN 84 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2akl s ILE 85 N -2.91 1.58 -0.17 2.41 -4.36 -1.14 -4.32 121.20 112.29 2akl s ILE 85 Ca 0.16 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.56 2akl s ILE 85 Cb -0.07 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.42 2akl s ILE 85 CO 0.20 0.00 -0.19 -0.60 0.24 0.00 0.00 174.94 174.59 2akl s ARG 86 N -5.01 3.04 -0.19 0.37 6.06 0.18 -1.34 118.95 122.07 2akl s ARG 86 Ca 0.69 -0.82 -0.29 0.00 -2.50 0.00 0.00 55.73 52.81 2akl s ARG 86 Cb -0.15 -2.56 -0.01 0.00 0.06 0.00 0.00 34.95 32.28 2akl s ARG 86 CO 0.59 -0.12 1.30 -0.51 -2.50 0.00 0.00 175.30 174.05 2akl s LEU 87 N 1.10 4.12 0.21 -0.88 1.43 -1.26 -0.47 118.68 122.93 2akl s LEU 87 Ca 0.00 1.62 -0.30 0.00 -1.03 0.00 0.00 54.13 54.43 2akl s LEU 87 Cb -0.14 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.46 2akl s LEU 87 CO -0.08 -0.84 1.13 -0.69 0.23 0.00 0.00 176.35 176.10 2akl s VAL 88 N 3.74 3.69 -0.24 -1.59 1.01 -1.19 -4.90 120.40 120.92 2akl s VAL 88 Ca 0.56 1.50 0.01 0.00 0.00 0.00 0.00 61.98 64.06 2akl s VAL 88 Cb -0.21 -3.96 0.28 0.00 0.00 0.00 0.00 36.38 32.49 2akl s VAL 88 CO 0.17 0.28 1.61 -0.67 0.00 0.00 0.00 175.10 176.49 2akl n ASP 89 N 2.11 4.30 0.00 3.32 2.03 -1.26 -4.47 116.55 122.57 2akl n ASP 89 Ca 0.02 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.49 2akl n ASP 89 Cb 0.45 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 2akl n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2akl n GLY 90 N -0.07 0.23 3.63 0.27 0.00 -1.26 -5.14 105.19 102.84 2akl n GLY 90 Ca 0.28 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 2akl n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2akl n ASP 91 N -0.11 1.47 -2.23 1.61 -0.08 -1.26 -4.80 116.55 111.14 2akl n ASP 91 Ca 0.00 -2.17 -0.22 0.00 -1.51 0.00 0.00 54.79 50.89 2akl n ASP 91 Cb 0.00 -0.54 -0.04 0.00 2.34 0.00 0.00 41.12 42.88 2akl n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2akl n HIS 92 N -2.60 1.39 -3.71 -0.67 1.44 -1.23 -4.60 115.22 105.25 2akl n HIS 92 Ca 0.15 -1.89 -0.20 0.00 -2.01 0.00 0.00 57.72 53.77 2akl n HIS 92 Cb 0.55 -1.25 -0.01 0.00 0.12 0.00 0.00 29.99 29.40 2akl n HIS 92 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2akl s ASP 93 N 0.48 6.07 -0.25 4.39 1.01 -1.26 -3.95 116.67 123.16 2akl s ASP 93 Ca 0.50 -0.10 -0.08 0.00 0.71 0.00 0.00 52.55 53.58 2akl s ASP 93 Cb 0.33 -1.48 -0.03 0.00 1.01 0.00 0.00 42.92 42.74 2akl s ASP 93 CO -0.13 -0.27 0.08 -0.63 0.21 0.00 0.00 175.17 174.44 2akl s ILE 94 N -2.10 4.43 -0.13 0.77 1.09 -0.89 -3.17 121.20 121.20 2akl s ILE 94 Ca 0.40 -0.14 -0.16 0.00 -1.10 0.00 0.00 60.65 59.65 2akl s ILE 94 Cb -0.09 -3.08 -0.05 0.00 -1.06 0.00 0.00 42.46 38.18 2akl s ILE 94 CO 0.30 0.32 0.37 -0.62 -0.10 0.00 0.00 174.94 175.21 2akl s ASP 95 N 1.63 6.56 0.02 3.58 -1.08 0.38 -1.35 116.67 126.41 2akl s ASP 95 Ca 0.06 0.66 -0.01 0.00 -0.52 0.00 0.00 52.55 52.74 2akl s ASP 95 Cb -0.15 -2.23 -0.02 0.00 -1.46 0.00 0.00 42.92 39.06 2akl s ASP 95 CO 0.04 0.08 -0.02 0.00 0.52 0.00 0.00 175.17 175.79 2akl s LYS 97 N -1.80 3.73 -0.27 0.00 1.02 -1.26 -0.40 119.74 120.76 2akl s LYS 97 Ca -0.13 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.44 2akl s LYS 97 Cb -0.07 -3.31 0.07 0.00 -0.52 0.00 0.00 37.83 33.99 2akl s LYS 97 CO -0.02 -0.09 -0.05 0.42 -0.92 0.00 0.00 175.35 174.69 2akl s ILE 98 N 1.36 1.89 -0.45 2.17 1.01 0.15 -4.94 121.20 122.39 2akl s ILE 98 Ca 0.05 -1.60 -0.28 0.00 0.00 0.00 0.00 60.65 58.83 2akl s ILE 98 Cb -0.15 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 2akl s ILE 98 CO 0.04 -0.19 1.79 -1.81 0.00 0.00 0.00 174.94 174.77 2akl s ASP 99 N 1.20 5.66 0.00 3.58 1.01 -1.26 -1.32 116.67 125.54 2akl s ASP 99 Ca -0.04 0.86 0.00 0.00 0.71 0.00 0.00 52.55 54.08 2akl s ASP 99 Cb -0.19 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2akl s ASP 99 CO -0.07 -1.97 0.00 0.61 0.21 0.00 0.00 175.17 173.95 2akl n GLY 100 N 5.51 2.68 0.00 0.21 0.00 -1.26 -4.93 105.19 107.40 2akl n GLY 100 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2akl n GLY 100 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2akl n ILE 101 N 0.00 0.00 -0.07 -0.61 -5.35 -1.12 -5.10 119.36 107.11 2akl n ILE 101 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2akl n ILE 101 Cb 0.00 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 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 2.15 0.76 3.85 3.28 0.00 -0.43 -5.06 105.19 109.74 2akl n GLY 102 Ca 0.00 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 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 3.29 0.12 4.61 0.00 -1.26 -0.67 121.76 126.85 2akl s ALA 103 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 2akl s ALA 103 Cb 0.00 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 2akl s ALA 103 CO 0.00 0.27 0.10 1.41 0.00 0.00 0.00 175.76 177.54 2akl s MET 104 N -3.11 0.91 -0.04 0.00 0.00 0.46 -4.90 119.30 112.62 2akl s MET 104 Ca 0.55 -1.32 0.06 0.00 0.00 0.00 0.00 55.69 54.98 2akl s MET 104 Cb -0.10 0.27 -0.02 0.00 0.00 0.00 0.00 34.83 34.98 2akl s MET 104 CO 0.19 -0.27 -0.21 -1.59 0.00 0.00 0.00 175.02 173.14 2akl s LYS 105 N -4.00 2.36 -0.03 4.11 0.00 -1.26 -0.88 119.74 120.03 2akl s LYS 105 Ca 0.18 -0.83 0.07 0.00 0.00 0.00 0.00 55.97 55.39 2akl s LYS 105 Cb 0.07 -2.20 -0.02 0.00 0.00 0.00 0.00 37.83 35.67 2akl s LYS 105 CO -0.01 0.55 -0.24 -0.51 0.00 0.00 0.00 175.35 175.14 2akl s LEU 106 N -0.57 2.16 -0.02 2.77 1.43 -0.46 -4.93 118.68 119.07 2akl s LEU 106 Ca 0.08 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 2akl s LEU 106 Cb -0.11 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 2akl s LEU 106 CO 0.00 0.30 1.34 -0.75 0.23 0.00 0.00 176.35 177.47 2akl s LYS 107 N -0.51 4.30 0.57 1.70 2.47 -1.26 -2.09 119.74 124.92 2akl s LYS 107 Ca 0.07 1.87 0.29 0.00 -1.56 0.00 0.00 55.97 56.64 2akl s LYS 107 Cb -0.11 -3.58 1.46 0.00 -1.46 0.00 0.00 37.83 34.15 2akl s LYS 107 CO 0.00 -0.54 1.90 1.03 0.16 0.00 0.00 175.35 177.90 2akl h SER 108 N 7.74 0.00 0.34 1.43 0.87 -1.82 0.16 113.55 122.27 2akl h SER 108 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2akl h SER 108 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2akl h SER 108 CO 0.90 0.00 -0.19 -1.84 -0.53 0.00 0.00 176.83 175.17 2akl n GLU 109 N -3.96 0.70 -0.05 2.24 0.28 -1.26 -2.44 120.64 116.15 2akl n GLU 109 Ca 0.12 -0.32 0.02 0.00 -0.16 0.00 0.00 57.16 56.81 2akl n GLU 109 Cb 0.76 -1.49 0.05 0.00 1.43 0.00 0.00 31.44 32.18 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 -0.87 0.13 -4.19 -1.84 3.72 0.56 -4.43 117.46 110.53 2akl n PHE 110 Ca 0.13 -0.38 -0.23 0.00 -0.05 0.00 0.00 57.45 56.91 2akl n PHE 110 Cb 0.31 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.85 3.31 -0.03 -4.37 -7.23 -1.13 -0.81 120.40 109.29 2akl s VAL 111 Ca 0.08 -1.78 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2akl s VAL 111 Cb 0.04 -2.95 0.02 0.00 0.56 0.00 0.00 36.38 34.05 2akl s VAL 111 CO 0.06 -0.28 0.06 -0.60 -0.31 0.00 0.00 175.10 174.02 2akl s ARG 112 N -3.77 0.03 0.35 4.82 3.52 0.13 -1.23 118.95 122.81 2akl s ARG 112 Ca 0.34 0.15 -0.28 0.00 -0.13 0.00 0.00 55.73 55.82 2akl s ARG 112 Cb -0.05 -0.09 -0.10 0.00 -1.56 0.00 0.00 34.95 33.15 2akl s ARG 112 CO 0.21 -0.08 1.28 0.21 -0.81 0.00 0.00 175.30 176.11 2akl s LYS 113 N 0.54 4.27 0.00 5.12 2.20 -1.26 0.18 119.74 130.79 2akl s LYS 113 Ca -0.04 2.14 -0.00 0.00 -0.36 0.00 0.00 55.97 57.71 2akl s LYS 113 Cb -0.06 -2.98 -0.00 0.00 -1.51 0.00 0.00 37.83 33.28 2akl s LYS 113 CO -0.02 -0.23 -0.00 0.28 -0.36 0.00 0.00 175.35 175.01 2akl n VAL 114 N 0.63 0.05 -2.38 4.02 0.31 0.04 -4.79 118.33 116.20 2akl n VAL 114 Ca 0.01 0.11 -0.05 0.00 -0.01 0.00 0.00 64.34 64.40 2akl n VAL 114 Cb 0.43 -1.12 0.03 0.00 -0.91 0.00 0.00 33.84 32.26 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 3.10 0.21 0.00 2.92 0.00 -0.84 -4.93 105.19 105.65 2akl n GLY 115 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76