#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 4.19 -0.20 3.17 1.01 -1.26 -4.97 120.40 122.34 2akl s VAL 2 Ca 0.00 1.34 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 2akl s VAL 2 Cb 0.00 -4.21 0.10 0.00 0.00 0.00 0.00 36.38 32.27 2akl s VAL 2 CO 0.00 -0.49 0.37 -0.44 0.00 0.00 0.00 175.10 174.54 2akl s SER 3 N 2.63 0.05 0.07 3.32 0.01 -1.26 -5.01 113.70 113.51 2akl s SER 3 Ca 0.54 0.65 -0.07 0.00 1.31 0.00 0.00 55.95 58.39 2akl s SER 3 Cb -0.16 1.13 -0.29 0.00 0.21 0.00 0.00 66.02 66.92 2akl s SER 3 CO 0.22 -0.26 1.12 0.00 0.41 0.00 0.00 173.24 174.74 2akl h THR 4 N 6.20 1.45 -4.14 1.44 1.03 -1.93 -3.47 112.91 113.49 2akl h THR 4 Ca -0.17 -2.94 -0.47 0.00 -0.01 0.00 0.00 66.41 62.83 2akl h THR 4 Cb 1.12 2.93 0.08 0.00 -1.07 0.00 0.00 68.15 71.21 2akl h THR 4 CO 0.17 0.86 0.31 -0.76 -0.01 0.00 0.00 175.52 176.10 2akl s LEU 5 N -7.30 2.76 0.66 0.00 1.43 -1.26 -5.05 118.68 109.93 2akl s LEU 5 Ca -0.05 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 53.58 2akl s LEU 5 Cb 0.07 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.97 2akl s LEU 5 CO 0.90 -1.61 1.12 -2.16 0.23 0.00 0.00 176.35 174.83 2akl s PRO 6 N -5.35 2.75 0.00 1.29 0.04 -1.26 -5.05 135.00 127.43 2akl s PRO 6 Ca 0.60 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2akl s PRO 6 Cb -0.11 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2akl s PRO 6 CO 0.47 -1.30 0.00 -2.30 0.04 0.00 0.00 177.00 173.92 2akl n PRO 7 N -2.39 -0.05 -3.53 0.56 -0.02 -1.26 -4.86 135.00 123.46 2akl n PRO 7 Ca 0.11 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.21 2akl n PRO 7 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.91 2akl n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2akl n PRO 9 N 4.67 0.42 0.00 0.00 -0.04 -1.26 0.30 135.00 139.09 2akl n PRO 9 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2akl n PRO 9 Cb 0.52 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.40 0.83 -0.09 0.54 6.02 -1.26 -4.90 117.38 118.11 2akl n GLN 10 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 2akl n GLN 10 Cb 0.01 -0.94 -0.07 0.00 1.02 0.00 0.00 30.24 30.26 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 -3.73 0.00 0.00 0.00 5.15 0.15 -4.91 115.26 111.91 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 0.76 -1.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.00 2akl n ASN 12 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2akl n SER 13 N 0.00 0.00 0.00 1.20 2.88 -1.26 -4.75 113.62 111.69 2akl n SER 13 Ca 0.00 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2akl n SER 13 Cb 0.00 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2akl n SER 13 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2akl n GLU 14 N -1.23 0.00 -0.25 -1.46 0.28 -1.26 -5.02 120.64 111.70 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 -3.69 -1.84 4.01 -1.26 -4.80 117.16 109.58 2akl n TYR 15 Ca 0.00 -0.72 -0.37 0.00 -0.16 0.00 0.00 57.90 56.65 2akl n TYR 15 Cb 0.00 -0.37 -0.07 0.00 -0.31 0.00 0.00 39.34 38.59 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 0.09 5.35 0.24 -0.72 2.01 -1.26 -3.82 115.64 117.54 2akl s THR 16 Ca 0.00 0.40 -0.05 0.00 0.31 0.00 0.00 61.69 62.35 2akl s THR 16 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 2akl s THR 16 CO 0.00 0.51 0.32 -0.72 -0.69 0.00 0.00 174.62 174.03 2akl s TYR 17 N -0.30 0.88 -0.23 4.92 -0.85 -1.14 -4.89 117.35 115.73 2akl s TYR 17 Ca 0.15 -1.14 -0.08 0.00 -0.52 0.00 0.00 57.07 55.48 2akl s TYR 17 Cb -0.13 -0.22 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 2akl s TYR 17 CO 0.04 -0.85 0.09 -1.83 -1.52 0.00 0.00 175.55 171.48 2akl s GLU 18 N -3.92 3.82 -0.73 -3.49 -1.05 -1.26 -1.64 118.70 110.43 2akl s GLU 18 Ca 0.32 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.74 2akl s GLU 18 Cb 0.03 -3.36 0.18 0.00 -0.44 0.00 0.00 34.13 30.54 2akl s GLU 18 CO 0.13 -0.04 0.55 0.34 0.95 0.00 0.00 175.26 177.20 2akl s ASP 19 N 1.24 5.29 0.45 0.83 -1.08 -1.13 -4.96 116.67 117.31 2akl s ASP 19 Ca 0.05 -3.45 0.00 0.00 -0.52 0.00 0.00 52.55 48.63 2akl s ASP 19 Cb -0.14 -1.79 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 2akl s ASP 19 CO 0.04 -0.21 0.00 0.61 0.52 0.00 0.00 175.17 176.13 2akl n GLY 20 N 2.62 1.36 1.30 2.66 0.00 -1.26 -4.10 105.19 107.77 2akl n GLY 20 Ca 0.15 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 4.61 3.44 -3.39 4.61 0.00 -1.26 -4.97 120.51 123.55 2akl n ALA 21 Ca 0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 53.44 51.20 2akl n ALA 21 Cb 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.16 0.00 -4.53 0.00 -0.00 -1.26 -4.99 117.00 106.07 2akl n LEU 22 Ca 0.25 -1.26 -0.34 0.00 -0.00 0.00 0.00 56.01 54.66 2akl n LEU 22 Cb 1.03 1.85 -0.12 0.00 -0.00 0.00 0.00 43.42 46.19 2akl n LEU 22 CO 0.23 -0.42 -0.38 -0.76 -0.00 0.00 0.00 177.39 176.06 2akl s LEU 23 N 0.00 3.12 -0.01 1.47 1.43 -0.57 -2.81 118.68 121.31 2akl s LEU 23 Ca 0.08 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2akl s LEU 23 Cb -0.02 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 2akl s LEU 23 CO 0.06 0.28 -0.18 0.68 0.23 0.00 0.00 176.35 177.42 2akl s VAL 24 N -0.30 1.42 -0.40 -1.59 -7.23 -0.65 -0.31 120.40 111.33 2akl s VAL 24 Ca 0.04 -0.81 -0.08 0.00 -1.81 0.00 0.00 61.98 59.32 2akl s VAL 24 Cb -0.13 -1.19 0.07 0.00 0.56 0.00 0.00 36.38 35.70 2akl s VAL 24 CO 0.02 0.37 0.22 0.00 -0.31 0.00 0.00 175.10 175.40 2akl n PRO 26 N 4.88 0.17 0.32 0.00 -0.04 -1.25 -0.97 135.00 138.12 2akl n PRO 26 Ca -0.10 0.44 -0.14 0.00 -0.04 0.00 0.00 63.50 63.66 2akl n PRO 26 Cb 0.43 -1.86 -0.07 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.81 -0.52 0.54 4.81 -1.91 -3.31 114.58 113.38 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 0.30 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2akl h GLU 27 CO 0.00 -0.50 0.00 0.00 -0.73 0.00 0.00 179.01 177.78 2akl n ALA 29 N 1.21 -1.97 -3.71 0.00 0.00 -0.14 -5.01 120.51 110.89 2akl n ALA 29 Ca 0.19 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 2akl n ALA 29 Cb 0.54 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.46 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 -3.48 -0.41 0.51 0.00 5.04 -0.98 -5.01 115.29 110.96 2akl s HIS 30 Ca 0.04 0.94 0.05 0.00 -1.54 0.00 0.00 55.06 54.55 2akl s HIS 30 Cb -0.02 0.08 0.04 0.00 0.04 0.00 0.00 32.58 32.72 2akl s HIS 30 CO 0.76 -0.28 0.70 -1.83 -2.34 0.00 0.00 174.74 171.75 2akl s GLU 31 N 1.52 2.58 -0.01 2.88 4.04 -1.26 -1.94 118.70 126.51 2akl s GLU 31 Ca -0.07 -1.12 -0.29 0.00 0.04 0.00 0.00 54.97 53.53 2akl s GLU 31 Cb -0.10 -2.62 0.10 0.00 0.02 0.00 0.00 34.13 31.53 2akl s GLU 31 CO -0.09 -0.59 0.97 1.67 -1.84 0.00 0.00 175.26 175.38 2akl s TRP 32 N -2.59 -0.26 -0.21 4.83 1.48 0.57 -4.93 118.94 117.82 2akl s TRP 32 Ca 0.58 0.11 0.02 0.00 -1.06 0.00 0.00 56.10 55.74 2akl s TRP 32 Cb -0.09 0.55 0.03 0.00 -1.16 0.00 0.00 33.47 32.80 2akl s TRP 32 CO 0.36 -0.53 -0.16 -1.12 -4.06 0.00 0.00 176.95 171.45 2akl s SER 33 N -2.54 3.64 0.34 -2.66 0.01 -1.26 -1.51 113.70 109.72 2akl s SER 33 Ca 0.07 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 56.46 2akl s SER 33 Cb -0.01 -1.51 0.70 0.00 0.21 0.00 0.00 66.02 65.41 2akl s SER 33 CO -0.06 -0.07 1.92 1.55 0.41 0.00 0.00 173.24 176.99 2akl h PRO 34 N 7.88 0.80 0.00 12.44 0.13 -1.94 -2.42 132.00 148.89 2akl h PRO 34 Ca -0.36 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.58 2akl h PRO 34 Cb 1.10 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.03 2akl h PRO 34 CO 0.57 0.53 -1.55 0.09 -0.23 0.00 0.00 178.00 177.41 2akl n ASN 35 N -4.50 3.22 0.15 1.44 3.02 -1.26 -4.58 115.26 112.75 2akl n ASN 35 Ca 0.13 -0.04 0.13 0.00 -0.03 0.00 0.00 54.58 54.77 2akl n ASN 35 Cb 0.28 0.03 0.52 0.00 -0.61 0.00 0.00 39.78 40.00 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 0.00 3.52 3.07 -1.79 0.31 114.58 119.69 2akl h GLU 36 Ca -0.21 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.57 2akl h GLU 36 Cb 1.37 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.26 2akl h GLU 36 CO -0.02 0.00 -0.43 0.00 -1.40 0.00 0.00 179.01 177.16 2akl h ALA 37 N 2.23 0.09 0.10 3.43 0.00 -1.70 -3.37 119.26 120.04 2akl h ALA 37 Ca 0.00 -0.74 -0.27 0.00 0.00 0.00 0.00 54.91 53.89 2akl h ALA 37 Cb 0.39 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2akl h ALA 37 CO 0.00 0.24 -1.18 0.00 0.00 0.00 0.00 179.25 178.31 2akl h ALA 38 N -0.17 0.12 -1.14 0.00 0.00 -1.71 -3.46 119.26 112.90 2akl h ALA 38 Ca -0.12 -0.80 -0.49 0.00 0.00 0.00 0.00 54.91 53.51 2akl h ALA 38 Cb 1.11 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2akl h ALA 38 CO -0.07 0.82 -0.26 0.99 0.00 0.00 0.00 179.25 180.72 2akl s THR 39 N -2.93 2.44 0.45 0.00 2.01 0.11 -5.07 115.64 112.65 2akl s THR 39 Ca -0.07 -1.19 -0.25 0.00 0.31 0.00 0.00 61.69 60.50 2akl s THR 39 Cb 0.07 -2.63 -0.09 0.00 0.01 0.00 0.00 72.50 69.86 2akl s THR 39 CO 0.90 0.00 1.34 0.00 -0.69 0.00 0.00 174.62 176.17 2akl n ALA 40 N -1.85 1.62 1.50 7.40 0.00 -1.26 -4.55 120.51 123.37 2akl n ALA 40 Ca 0.07 0.24 0.05 0.00 0.00 0.00 0.00 53.44 53.80 2akl n ALA 40 Cb 0.61 -2.33 0.22 0.00 0.00 0.00 0.00 19.45 17.96 2akl n ALA 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2akl n SER 41 N -0.11 0.91 -4.67 0.00 7.64 -1.26 -4.72 113.62 111.40 2akl n SER 41 Ca 0.07 -1.84 -0.26 0.00 1.01 0.00 0.00 58.87 57.85 2akl n SER 41 Cb 0.41 -0.09 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 2akl n SER 41 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2akl s ASP 42 N -1.21 4.82 0.00 6.43 -4.77 -1.26 -4.91 116.67 115.76 2akl s ASP 42 Ca 0.19 -0.40 0.00 0.00 -3.30 0.00 0.00 52.55 49.04 2akl s ASP 42 Cb 0.10 -1.04 0.00 0.00 -1.09 0.00 0.00 42.92 40.89 2akl s ASP 42 CO 0.14 0.07 0.00 -0.67 0.70 0.00 0.00 175.17 175.41 2akl n ASP 43 N -0.25 0.00 0.00 2.11 2.03 -1.26 -5.02 116.55 114.16 2akl n ASP 43 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2akl n ASP 43 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.00 0.90 0.05 0.27 0.00 -1.26 -4.99 105.19 100.17 2akl n GLY 44 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.13 -5.14 1.61 4.76 -1.26 -2.93 118.16 115.33 2akl n LYS 45 Ca 0.00 -0.10 -0.30 0.00 -2.87 0.00 0.00 58.31 55.04 2akl n LYS 45 Cb 0.00 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.53 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 -2.94 1.86 -0.07 -0.18 1.01 -1.26 -4.57 120.40 114.25 2akl s VAL 46 Ca 0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2akl s VAL 46 Cb 0.17 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2akl s VAL 46 CO 0.79 0.52 0.04 -0.63 0.00 0.00 0.00 175.10 175.82 2akl s ILE 47 N -0.22 4.59 0.35 2.22 -1.09 -1.26 -4.83 121.20 120.96 2akl s ILE 47 Ca -0.00 -0.22 0.07 0.00 -2.23 0.00 0.00 60.65 58.27 2akl s ILE 47 Cb -0.12 -2.98 -0.02 0.00 -1.58 0.00 0.00 42.46 37.76 2akl s ILE 47 CO 0.02 0.55 0.34 -0.54 -1.23 0.00 0.00 174.94 174.08 2akl s LYS 48 N -1.10 2.77 0.46 2.79 3.01 -1.26 -2.03 119.74 124.38 2akl s LYS 48 Ca 0.16 -1.27 0.07 0.00 -1.01 0.00 0.00 55.97 53.91 2akl s LYS 48 Cb -0.12 -2.53 -0.01 0.00 -1.01 0.00 0.00 37.83 34.16 2akl s LYS 48 CO 0.05 0.05 0.32 -0.51 0.51 0.00 0.00 175.35 175.77 2akl s ASP 49 N -4.05 4.73 0.00 2.83 1.11 0.34 -4.57 116.67 117.05 2akl s ASP 49 Ca 0.43 -1.01 0.26 0.00 0.18 0.00 0.00 52.55 52.41 2akl s ASP 49 Cb -0.06 -0.23 1.21 0.00 1.07 0.00 0.00 42.92 44.91 2akl s ASP 49 CO 0.28 -0.76 1.85 -0.24 1.18 0.00 0.00 175.17 177.47 2akl n SER 50 N -1.52 0.00 -0.64 0.27 2.88 -0.53 -2.10 113.62 111.98 2akl n SER 50 Ca 0.00 0.15 0.13 0.00 -1.33 0.00 0.00 58.87 57.83 2akl n SER 50 Cb 0.63 -0.37 0.38 0.00 -0.75 0.00 0.00 64.21 64.10 2akl n SER 50 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2akl n VAL 51 N -1.37 0.02 -0.46 2.46 3.14 -1.26 -4.92 118.33 115.94 2akl n VAL 51 Ca 0.10 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2akl n VAL 51 Cb 0.24 0.80 0.00 0.00 -1.06 0.00 0.00 33.84 33.83 2akl n VAL 51 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2akl n GLY 52 N 1.23 0.75 3.90 7.55 0.00 -0.89 -5.05 105.19 112.68 2akl n GLY 52 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.59 5.29 -0.08 1.61 6.03 -1.26 -4.87 114.94 119.07 2akl s ASN 53 Ca 0.00 -0.58 0.02 0.00 -1.03 0.00 0.00 52.86 51.27 2akl s ASN 53 Cb 0.00 -0.75 -0.02 0.00 -3.03 0.00 0.00 41.25 37.45 2akl s ASN 53 CO 0.00 -0.57 -0.13 -0.69 -2.03 0.00 0.00 177.10 173.68 2akl s VAL 54 N -2.38 3.14 0.67 3.54 1.01 -1.26 -0.50 120.40 124.61 2akl s VAL 54 Ca 0.47 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2akl s VAL 54 Cb -0.06 -2.26 0.08 0.00 0.00 0.00 0.00 36.38 34.14 2akl s VAL 54 CO 0.29 0.57 0.94 -0.76 0.00 0.00 0.00 175.10 176.14 2akl s LEU 55 N -0.43 3.02 0.02 3.92 1.43 -0.86 -4.99 118.68 120.79 2akl s LEU 55 Ca 0.05 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 2akl s LEU 55 Cb -0.12 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 2akl s LEU 55 CO 0.02 -1.59 -0.24 -1.58 0.23 0.00 0.00 176.35 173.20 2akl s GLN 56 N -5.08 1.75 -0.43 1.70 0.74 -1.26 -4.75 119.66 112.33 2akl s GLN 56 Ca 0.62 -0.96 -0.27 0.00 0.05 0.00 0.00 55.36 54.79 2akl s GLN 56 Cb -0.09 -1.82 -0.03 0.00 1.10 0.00 0.00 33.01 32.18 2akl s GLN 56 CO 0.43 0.48 1.92 0.34 -0.55 0.00 0.00 175.29 177.91 2akl s ASP 57 N -0.93 5.49 0.00 6.67 -1.08 -1.26 -1.14 116.67 124.42 2akl s ASP 57 Ca 0.10 1.02 0.00 0.00 -0.52 0.00 0.00 52.55 53.15 2akl s ASP 57 Cb -0.09 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2akl s ASP 57 CO 0.01 -2.08 0.00 0.61 0.52 0.00 0.00 175.17 174.23 2akl n GLY 58 N 5.60 0.88 3.92 2.66 0.00 -0.09 -4.94 105.19 113.22 2akl n GLY 58 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.93 3.78 -0.11 1.61 -1.08 -0.29 -3.13 116.67 116.52 2akl s ASP 59 Ca 0.00 0.50 -0.05 0.00 -0.52 0.00 0.00 52.55 52.47 2akl s ASP 59 Cb 0.00 -0.75 -0.04 0.00 -1.46 0.00 0.00 42.92 40.67 2akl s ASP 59 CO 0.00 -2.33 0.09 -0.89 0.52 0.00 0.00 175.17 172.55 2akl s THR 60 N -3.73 5.06 0.35 1.71 2.01 -1.26 -0.13 115.64 119.65 2akl s THR 60 Ca 0.68 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.81 2akl s THR 60 Cb -0.07 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 2akl s THR 60 CO 0.51 0.60 -0.05 0.27 -0.69 0.00 0.00 174.62 175.26 2akl s ILE 61 N -0.87 2.34 -0.16 1.82 -5.25 0.84 -1.56 121.20 118.36 2akl s ILE 61 Ca 0.14 -2.10 -0.05 0.00 -0.99 0.00 0.00 60.65 57.64 2akl s ILE 61 Cb -0.12 -2.73 0.08 0.00 2.95 0.00 0.00 42.46 42.64 2akl s ILE 61 CO 0.03 -0.18 0.29 -0.89 -1.79 0.00 0.00 174.94 172.41 2akl s THR 62 N -2.59 -0.46 0.14 8.37 2.01 0.15 -1.78 115.64 121.48 2akl s THR 62 Ca 0.34 0.20 -0.31 0.00 0.31 0.00 0.00 61.69 62.22 2akl s THR 62 Cb 0.02 -0.53 -0.10 0.00 0.01 0.00 0.00 72.50 71.90 2akl s THR 62 CO 0.18 0.06 1.70 0.54 -0.69 0.00 0.00 174.62 176.41 2akl s VAL 63 N 2.46 2.53 -0.37 3.82 0.11 -1.16 -0.69 120.40 127.10 2akl s VAL 63 Ca 0.02 0.23 0.15 0.00 -2.93 0.00 0.00 61.98 59.45 2akl s VAL 63 Cb -0.13 -3.15 0.78 0.00 -1.53 0.00 0.00 36.38 32.35 2akl s VAL 63 CO -0.10 0.01 1.70 2.30 -3.33 0.00 0.00 175.10 175.68 2akl n ILE 64 N 4.37 2.58 -4.22 7.04 -0.00 0.09 -0.14 119.36 129.07 2akl n ILE 64 Ca 0.16 -1.43 -0.13 0.00 -0.00 0.00 0.00 62.75 61.35 2akl n ILE 64 Cb 0.38 -0.21 -0.10 0.00 -0.00 0.00 0.00 39.64 39.71 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 -2.64 1.05 -0.39 6.28 3.01 -1.24 -4.82 119.74 121.00 2akl s LYS 65 Ca 0.53 -1.50 -0.24 0.00 -1.01 0.00 0.00 55.97 53.75 2akl s LYS 65 Cb 0.40 -0.19 0.01 0.00 -1.01 0.00 0.00 37.83 37.04 2akl s LYS 65 CO 0.16 -0.13 0.82 0.16 0.51 0.00 0.00 175.35 176.87 2akl s ASP 66 N -3.14 6.55 0.08 2.83 -4.77 -1.26 -2.28 116.67 114.68 2akl s ASP 66 Ca 0.22 0.30 0.08 0.00 -3.30 0.00 0.00 52.55 49.85 2akl s ASP 66 Cb 0.06 -2.41 -0.03 0.00 -1.09 0.00 0.00 42.92 39.45 2akl s ASP 66 CO 0.02 -0.81 -0.20 -0.76 0.70 0.00 0.00 175.17 174.13 2akl s LEU 67 N 3.24 2.25 0.58 2.11 1.43 0.17 -5.01 118.68 123.45 2akl s LEU 67 Ca 0.33 -0.62 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 2akl s LEU 67 Cb -0.13 -0.89 0.08 0.00 0.03 0.00 0.00 46.19 45.29 2akl s LEU 67 CO 0.19 0.09 0.80 -1.59 0.23 0.00 0.00 176.35 176.07 2akl s LYS 68 N -1.61 2.26 -0.07 1.70 -2.85 -1.26 0.67 119.74 118.58 2akl s LYS 68 Ca 0.06 -1.47 0.03 0.00 -1.00 0.00 0.00 55.97 53.59 2akl s LYS 68 Cb -0.09 -2.60 0.00 0.00 -2.06 0.00 0.00 37.83 33.08 2akl s LYS 68 CO 0.03 -0.89 -0.17 0.08 0.10 0.00 0.00 175.35 174.49 2akl s VAL 69 N -2.72 1.52 -0.01 1.79 1.01 -1.13 -4.66 120.40 116.21 2akl s VAL 69 Ca 0.62 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 2akl s VAL 69 Cb -0.06 -1.33 -0.32 0.00 0.00 0.00 0.00 36.38 34.67 2akl s VAL 69 CO 0.39 0.44 0.84 0.07 0.00 0.00 0.00 175.10 176.84 2akl h LYS 70 N 6.69 0.42 0.00 2.72 2.10 -2.00 -3.34 116.57 123.15 2akl h LYS 70 Ca -0.28 -0.71 -0.10 0.00 -2.00 0.00 0.00 60.65 57.56 2akl h LYS 70 Cb 1.20 0.27 -0.01 0.00 -0.90 0.00 0.00 32.23 32.78 2akl h LYS 70 CO 0.47 1.32 -0.49 0.78 -2.00 0.00 0.00 179.45 179.54 2akl h GLY 71 N 0.72 0.00 -1.63 0.07 0.00 -1.96 -3.46 103.07 96.80 2akl h GLY 71 Ca -0.29 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.45 2akl h GLY 71 CO 0.21 0.00 -0.50 -0.56 0.00 0.00 0.00 176.54 175.69 2akl s SER 72 N -6.45 4.33 0.00 0.19 0.01 -1.26 -5.01 113.70 105.51 2akl s SER 72 Ca 0.04 -1.20 0.25 0.00 1.31 0.00 0.00 55.95 56.35 2akl s SER 72 Cb 0.08 -0.29 0.78 0.00 0.21 0.00 0.00 66.02 66.80 2akl s SER 72 CO 0.74 -0.61 1.59 -0.24 0.41 0.00 0.00 173.24 175.12 2akl n SER 73 N -1.25 1.93 -4.74 2.44 2.88 -1.26 -4.64 113.62 108.98 2akl n SER 73 Ca -0.04 -1.68 -0.41 0.00 -1.33 0.00 0.00 58.87 55.42 2akl n SER 73 Cb 0.65 -0.06 -0.05 0.00 -0.75 0.00 0.00 64.21 64.01 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 -1.81 4.55 -0.17 2.46 1.02 -1.26 -4.98 118.68 118.49 2akl s LEU 74 Ca 0.35 1.87 -0.08 0.00 0.02 0.00 0.00 54.13 56.28 2akl s LEU 74 Cb 0.20 -3.60 -0.04 0.00 0.02 0.00 0.00 46.19 42.77 2akl s LEU 74 CO 0.30 -0.00 0.11 -0.69 0.02 0.00 0.00 176.35 176.10 2akl s VAL 75 N -0.41 5.27 -0.64 -1.59 1.01 -1.26 -2.82 120.40 119.96 2akl s VAL 75 Ca 0.45 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 2akl s VAL 75 Cb -0.25 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.85 2akl s VAL 75 CO 0.31 0.51 0.92 -0.69 0.00 0.00 0.00 175.10 176.15 2akl s VAL 76 N -0.15 4.41 0.09 2.92 1.01 0.21 -4.97 120.40 123.92 2akl s VAL 76 Ca 0.10 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2akl s VAL 76 Cb -0.12 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 2akl s VAL 76 CO 0.00 -1.37 0.09 -1.59 0.00 0.00 0.00 175.10 172.23 2akl s LYS 77 N 3.83 2.91 -0.77 2.72 0.00 -1.26 0.43 119.74 127.62 2akl s LYS 77 Ca 0.21 -0.69 -0.25 0.00 0.00 0.00 0.00 55.97 55.24 2akl s LYS 77 Cb -0.18 -2.74 -0.16 0.00 0.00 0.00 0.00 37.83 34.75 2akl s LYS 77 CO 0.10 0.56 2.47 1.55 0.00 0.00 0.00 175.35 180.03 2akl n VAL 78 N 0.38 -0.03 0.00 1.79 3.14 -0.96 0.42 118.33 123.06 2akl n VAL 78 Ca -0.08 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.82 2akl n VAL 78 Cb 0.52 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.70 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 -0.04 3.58 7.55 0.00 0.80 -4.95 105.19 118.35 2akl n GLY 79 Ca 0.52 0.00 -0.40 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 -0.91 3.06 -0.36 2.61 2.01 0.17 -4.84 115.64 117.38 2akl s THR 80 Ca 0.00 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.85 2akl s THR 80 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.40 2akl s THR 80 CO 0.00 -0.09 0.64 -0.75 -0.69 0.00 0.00 174.62 173.73 2akl s LYS 81 N 7.12 3.64 -0.18 4.92 2.20 -1.26 -2.97 119.74 133.21 2akl s LYS 81 Ca 0.96 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 56.60 2akl s LYS 81 Cb -0.25 -3.82 0.03 0.00 -1.51 0.00 0.00 37.83 32.28 2akl s LYS 81 CO 0.30 -0.76 -0.13 0.08 -0.36 0.00 0.00 175.35 174.48 2akl s VAL 82 N 2.73 1.68 0.13 4.02 1.01 -0.74 -4.99 120.40 124.25 2akl s VAL 82 Ca 0.24 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2akl s VAL 82 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2akl s VAL 82 CO 0.15 0.32 0.27 -1.59 0.00 0.00 0.00 175.10 174.26 2akl s LYS 83 N 1.41 3.44 -0.94 2.72 -2.85 -1.26 -0.11 119.74 122.14 2akl s LYS 83 Ca 0.02 -0.56 -0.00 0.00 -1.00 0.00 0.00 55.97 54.42 2akl s LYS 83 Cb -0.15 -2.98 -0.00 0.00 -2.06 0.00 0.00 37.83 32.65 2akl s LYS 83 CO -0.10 0.53 0.79 0.09 0.10 0.00 0.00 175.35 176.76 2akl n ASN 84 N -0.40 -2.03 -3.76 0.03 3.02 0.82 -4.67 115.26 108.26 2akl n ASN 84 Ca -0.07 -0.49 -0.30 0.00 -0.03 0.00 0.00 54.58 53.70 2akl n ASN 84 Cb 0.53 -4.15 0.26 0.00 -0.61 0.00 0.00 39.78 35.82 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 -3.28 1.49 -0.07 2.41 -4.36 -0.76 -4.58 121.20 112.05 2akl s ILE 85 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.40 2akl s ILE 85 Cb -0.00 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.45 2akl s ILE 85 CO 0.57 0.00 -0.07 -0.60 0.24 0.00 0.00 174.94 175.09 2akl s ARG 86 N -5.17 1.22 -0.28 0.37 6.06 0.16 -0.92 118.95 120.41 2akl s ARG 86 Ca 0.70 -0.20 -0.25 0.00 -2.50 0.00 0.00 55.73 53.48 2akl s ARG 86 Cb -0.13 -1.22 0.00 0.00 0.06 0.00 0.00 34.95 33.66 2akl s ARG 86 CO 0.58 -0.14 0.88 -0.51 -2.50 0.00 0.00 175.30 173.60 2akl s LEU 87 N 1.23 4.06 0.58 -0.88 1.43 -1.26 -1.03 118.68 122.82 2akl s LEU 87 Ca -0.05 0.93 0.10 0.00 -1.03 0.00 0.00 54.13 54.08 2akl s LEU 87 Cb -0.14 -3.24 0.09 0.00 0.03 0.00 0.00 46.19 42.93 2akl s LEU 87 CO -0.02 -0.63 0.81 0.68 0.23 0.00 0.00 176.35 177.41 2akl s VAL 88 N 3.06 2.08 -0.88 -1.59 -7.23 -1.12 -4.92 120.40 109.80 2akl s VAL 88 Ca 0.37 -1.00 -0.23 0.00 -1.81 0.00 0.00 61.98 59.30 2akl s VAL 88 Cb -0.14 -2.08 0.06 0.00 0.56 0.00 0.00 36.38 34.78 2akl s VAL 88 CO 0.10 0.00 1.27 -0.62 -0.31 0.00 0.00 175.10 175.55 2akl s ASP 89 N -4.69 6.39 0.00 4.85 2.15 -1.26 -4.66 116.67 119.46 2akl s ASP 89 Ca 0.62 -1.26 0.00 0.00 0.43 0.00 0.00 52.55 52.34 2akl s ASP 89 Cb -0.05 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2akl s ASP 89 CO 0.39 -1.49 0.00 0.61 -0.17 0.00 0.00 175.17 174.51 2akl n GLY 90 N 6.01 -2.06 0.01 2.66 0.00 -1.15 -4.97 105.19 105.70 2akl n GLY 90 Ca 0.18 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 45.03 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 2.92 0.53 -2.66 1.61 2.03 -1.26 -4.51 116.55 115.21 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 1.85 0.03 0.00 -0.72 0.00 0.00 41.12 42.28 2akl n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2akl n HIS 92 N -2.20 3.12 -3.43 -0.67 1.44 -1.26 -4.29 115.22 107.92 2akl n HIS 92 Ca -0.05 -2.62 -0.26 0.00 -2.01 0.00 0.00 57.72 52.78 2akl n HIS 92 Cb 0.54 -0.88 -0.11 0.00 0.12 0.00 0.00 29.99 29.66 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 -2.00 2.48 -0.20 4.39 1.11 -1.26 -4.68 116.67 116.50 2akl s ASP 93 Ca 0.53 -2.06 0.01 0.00 0.18 0.00 0.00 52.55 51.21 2akl s ASP 93 Cb 0.44 -0.16 0.03 0.00 1.07 0.00 0.00 42.92 44.31 2akl s ASP 93 CO -0.27 -0.29 -0.15 -0.63 1.18 0.00 0.00 175.17 175.00 2akl s ILE 94 N 1.14 1.96 -0.16 0.77 1.01 -1.20 -2.79 121.20 121.93 2akl s ILE 94 Ca 0.18 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 2akl s ILE 94 Cb -0.21 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 2akl s ILE 94 CO -0.00 0.32 0.40 -0.62 0.00 0.00 0.00 174.94 175.03 2akl s ASP 95 N 1.28 6.53 -0.02 3.58 2.15 -0.20 -1.49 116.67 128.50 2akl s ASP 95 Ca 0.00 0.62 0.03 0.00 0.43 0.00 0.00 52.55 53.64 2akl s ASP 95 Cb -0.15 -2.24 -0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2akl s ASP 95 CO -0.10 0.00 -0.11 0.00 -0.17 0.00 0.00 175.17 174.79 2akl s LYS 97 N 0.02 3.48 -0.29 0.00 1.02 -1.26 -0.09 119.74 122.61 2akl s LYS 97 Ca -0.01 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.41 2akl s LYS 97 Cb -0.08 -3.28 0.06 0.00 -0.52 0.00 0.00 37.83 34.02 2akl s LYS 97 CO 0.00 -0.25 -0.04 0.42 -0.92 0.00 0.00 175.35 174.57 2akl s ILE 98 N 1.56 2.52 -0.34 2.17 1.01 0.74 -4.81 121.20 124.06 2akl s ILE 98 Ca 0.05 -1.66 -0.28 0.00 0.00 0.00 0.00 60.65 58.77 2akl s ILE 98 Cb -0.15 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2akl s ILE 98 CO 0.02 -0.16 2.06 -1.81 0.00 0.00 0.00 174.94 175.05 2akl s ASP 99 N 1.17 5.45 0.00 3.58 1.11 -1.26 -1.24 116.67 125.47 2akl s ASP 99 Ca -0.04 1.41 0.00 0.00 0.18 0.00 0.00 52.55 54.10 2akl s ASP 99 Cb -0.20 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.27 2akl s ASP 99 CO -0.04 -2.04 0.00 0.61 1.18 0.00 0.00 175.17 174.88 2akl n GLY 100 N 5.67 4.05 0.00 0.21 0.00 -1.26 -4.91 105.19 108.95 2akl n GLY 100 Ca 0.27 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.61 -5.35 -1.09 -5.15 119.36 107.16 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 -0.61 0.00 0.00 -1.74 0.00 0.00 39.64 37.29 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 3.35 0.75 3.88 3.28 0.00 -0.37 -5.05 105.19 111.03 2akl n GLY 102 Ca 0.00 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.14 3.54 0.13 4.61 0.00 -1.26 -0.18 121.76 127.45 2akl s ALA 103 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 2akl s ALA 103 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 2akl s ALA 103 CO 0.00 0.35 0.13 1.41 0.00 0.00 0.00 175.76 177.66 2akl s MET 104 N -3.17 0.96 0.08 0.00 0.00 0.88 -4.92 119.30 113.12 2akl s MET 104 Ca 0.47 -1.28 0.07 0.00 0.00 0.00 0.00 55.69 54.95 2akl s MET 104 Cb -0.11 0.29 -0.04 0.00 0.00 0.00 0.00 34.83 34.98 2akl s MET 104 CO 0.25 -0.30 -0.13 -1.59 0.00 0.00 0.00 175.02 173.25 2akl s LYS 105 N -3.99 2.12 0.02 4.11 0.00 -1.26 -1.20 119.74 119.55 2akl s LYS 105 Ca 0.18 -0.99 0.05 0.00 0.00 0.00 0.00 55.97 55.20 2akl s LYS 105 Cb 0.06 -2.27 -0.02 0.00 0.00 0.00 0.00 37.83 35.60 2akl s LYS 105 CO -0.01 0.53 -0.14 -0.51 0.00 0.00 0.00 175.35 175.21 2akl s LEU 106 N -1.89 2.13 -0.22 2.77 1.43 -0.55 -5.00 118.68 117.34 2akl s LEU 106 Ca 0.19 -0.40 -0.28 0.00 -1.03 0.00 0.00 54.13 52.61 2akl s LEU 106 Cb -0.11 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2akl s LEU 106 CO 0.10 0.08 0.97 -0.54 0.23 0.00 0.00 176.35 177.20 2akl s LYS 107 N -0.90 4.25 0.38 1.70 1.02 -1.26 -3.23 119.74 121.70 2akl s LYS 107 Ca 0.03 1.24 0.14 0.00 0.02 0.00 0.00 55.97 57.40 2akl s LYS 107 Cb -0.07 -3.63 0.98 0.00 -0.52 0.00 0.00 37.83 34.59 2akl s LYS 107 CO 0.01 -0.57 1.81 0.77 -0.92 0.00 0.00 175.35 176.44 2akl h SER 108 N 7.49 0.54 0.31 2.83 0.02 -1.83 0.13 113.55 123.02 2akl h SER 108 Ca -0.21 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2akl h SER 108 Cb 1.08 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2akl h SER 108 CO 0.94 0.18 0.00 -0.62 -1.14 0.00 0.00 176.83 176.19 2akl n GLU 109 N -4.62 0.26 0.00 3.45 1.02 -1.26 -1.75 120.64 117.73 2akl n GLU 109 Ca 0.22 0.12 0.03 0.00 -0.02 0.00 0.00 57.16 57.51 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 -1.27 0.00 -4.15 -0.32 3.72 0.43 -4.50 117.46 111.37 2akl n PHE 110 Ca 0.08 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.22 2akl n PHE 110 Cb 0.13 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.84 2.04 -0.17 -4.37 -7.23 -1.03 -0.73 120.40 108.08 2akl s VAL 111 Ca 0.06 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 2akl s VAL 111 Cb 0.05 -2.73 0.05 0.00 0.56 0.00 0.00 36.38 34.32 2akl s VAL 111 CO 0.13 0.00 0.42 -0.60 -0.31 0.00 0.00 175.10 174.74 2akl s ARG 112 N -3.98 0.44 0.03 4.82 3.52 0.13 -1.45 118.95 122.45 2akl s ARG 112 Ca 0.35 0.72 -0.30 0.00 -0.13 0.00 0.00 55.73 56.37 2akl s ARG 112 Cb 0.02 0.08 -0.07 0.00 -1.56 0.00 0.00 34.95 33.42 2akl s ARG 112 CO 0.20 -0.12 1.67 0.21 -0.81 0.00 0.00 175.30 176.45 2akl s LYS 113 N 0.94 4.19 -0.06 5.12 2.20 -1.26 0.34 119.74 131.21 2akl s LYS 113 Ca -0.06 2.30 -0.24 0.00 -0.36 0.00 0.00 55.97 57.61 2akl s LYS 113 Cb -0.06 -3.76 -0.19 0.00 -1.51 0.00 0.00 37.83 32.30 2akl s LYS 113 CO -0.08 -0.78 0.98 0.28 -0.36 0.00 0.00 175.35 175.39 2akl h VAL 114 N 5.11 1.24 -0.90 4.02 2.07 -1.59 -3.47 116.25 122.73 2akl h VAL 114 Ca -0.42 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2akl h VAL 114 Cb 1.20 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2akl h VAL 114 CO 0.94 0.33 0.00 0.61 0.02 0.00 0.00 177.57 179.47 2akl n GLY 115 N 0.71 0.91 0.00 2.17 0.00 -1.25 -5.07 105.19 102.66 2akl n GLY 115 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76