#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 0.01 -0.40 1.12 0.11 -1.26 -5.08 120.40 114.90 2akl s VAL 2 Ca 0.00 0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.36 2akl s VAL 2 Cb 0.00 -0.19 0.16 0.00 -1.53 0.00 0.00 36.38 34.82 2akl s VAL 2 CO 0.00 0.15 0.43 -0.44 -3.33 0.00 0.00 175.10 171.92 2akl s SER 3 N 1.60 0.72 0.01 3.54 0.01 -1.26 -5.00 113.70 113.32 2akl s SER 3 Ca -0.02 -1.89 -0.02 0.00 1.31 0.00 0.00 55.95 55.33 2akl s SER 3 Cb -0.13 0.61 -0.01 0.00 0.21 0.00 0.00 66.02 66.71 2akl s SER 3 CO -0.03 -0.20 -0.04 0.35 0.41 0.00 0.00 173.24 173.72 2akl n THR 4 N 3.76 0.62 -2.93 1.44 -2.24 -1.26 -5.05 114.28 108.62 2akl n THR 4 Ca 0.16 0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.74 2akl n THR 4 Cb 0.48 -1.60 -0.06 0.00 -2.10 0.00 0.00 70.33 67.05 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 -6.56 3.95 0.68 3.22 1.43 -1.26 -5.06 118.68 115.08 2akl s LEU 5 Ca -0.04 1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 54.34 2akl s LEU 5 Cb 0.01 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.99 2akl s LEU 5 CO 0.06 -0.31 1.07 -2.16 0.23 0.00 0.00 176.35 175.23 2akl s PRO 6 N -3.26 2.92 0.00 1.29 0.04 -1.26 -5.07 135.00 129.66 2akl s PRO 6 Ca 0.57 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2akl s PRO 6 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2akl s PRO 6 CO 0.19 -1.12 0.00 -2.30 0.04 0.00 0.00 177.00 173.81 2akl n PRO 7 N -2.85 -0.43 -3.51 0.56 -0.02 -1.26 -4.90 135.00 122.59 2akl n PRO 7 Ca 0.08 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.18 2akl n PRO 7 Cb 0.53 0.00 -0.10 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 5.04 0.36 -0.01 0.00 -0.04 -1.26 0.80 135.00 139.89 2akl n PRO 9 Ca -0.12 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.33 2akl n PRO 9 Cb 0.51 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.54 1.77 -0.06 0.54 6.02 -1.26 -4.88 117.38 118.98 2akl n GLN 10 Ca 0.01 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 2akl n GLN 10 Cb 0.00 -1.06 -0.04 0.00 1.02 0.00 0.00 30.24 30.16 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 -3.43 0.00 0.00 0.00 5.15 0.24 -4.92 115.26 112.30 2akl n ASN 12 Ca -0.23 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 2akl n ASN 12 Cb 0.67 -1.11 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 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 -4.76 113.62 111.68 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 -1.26 0.00 -1.04 -1.46 0.28 -1.26 -5.03 120.64 110.87 2akl n GLU 14 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.86 2akl n GLU 14 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 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 0.38 -4.29 -1.84 4.01 -1.26 -4.82 117.16 109.34 2akl n TYR 15 Ca 0.00 -1.55 -0.32 0.00 -0.16 0.00 0.00 57.90 55.87 2akl n TYR 15 Cb 0.00 -1.42 -0.09 0.00 -0.31 0.00 0.00 39.34 37.52 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 0.12 3.93 0.36 -0.72 2.01 -1.26 -3.74 115.64 116.34 2akl s THR 16 Ca 0.57 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 2akl s THR 16 Cb 0.30 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 70.05 2akl s THR 16 CO -0.05 0.30 0.60 -0.72 -0.69 0.00 0.00 174.62 174.07 2akl s TYR 17 N -1.13 0.68 -0.28 4.92 1.13 -1.11 -5.00 117.35 116.56 2akl s TYR 17 Ca 0.21 -1.09 -0.09 0.00 -1.41 0.00 0.00 57.07 54.69 2akl s TYR 17 Cb -0.11 0.29 -0.03 0.00 -1.10 0.00 0.00 41.96 41.00 2akl s TYR 17 CO 0.12 -1.31 0.13 -1.83 -2.51 0.00 0.00 175.55 170.15 2akl s GLU 18 N -2.78 3.66 -0.76 -3.49 1.03 -1.26 -1.39 118.70 113.71 2akl s GLU 18 Ca 0.24 -0.49 0.03 0.00 0.03 0.00 0.00 54.97 54.78 2akl s GLU 18 Cb -0.02 -3.50 0.18 0.00 -0.80 0.00 0.00 34.13 29.99 2akl s GLU 18 CO 0.17 -0.25 0.58 0.34 -1.33 0.00 0.00 175.26 174.76 2akl s ASP 19 N 1.66 5.20 0.20 0.83 2.15 -1.13 -4.95 116.67 120.63 2akl s ASP 19 Ca 0.06 -3.76 0.00 0.00 0.43 0.00 0.00 52.55 49.28 2akl s ASP 19 Cb -0.16 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 2akl s ASP 19 CO 0.07 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.55 2akl n GLY 20 N 2.16 1.10 1.03 2.66 0.00 -1.26 -4.23 105.19 106.65 2akl n GLY 20 Ca 0.19 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.40 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 3.12 3.29 -3.42 4.61 0.00 -1.26 -4.99 120.51 121.86 2akl n ALA 21 Ca 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 53.44 51.02 2akl n ALA 21 Cb 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.53 0.00 -4.55 0.00 -0.00 -1.26 -4.99 117.00 105.67 2akl n LEU 22 Ca 0.24 -1.33 -0.34 0.00 -0.00 0.00 0.00 56.01 54.58 2akl n LEU 22 Cb 0.95 1.86 -0.11 0.00 -0.00 0.00 0.00 43.42 46.12 2akl n LEU 22 CO 0.18 -0.42 -0.32 -0.76 -0.00 0.00 0.00 177.39 176.07 2akl s LEU 23 N 0.00 3.44 -0.09 1.47 1.43 -0.20 -2.85 118.68 121.89 2akl s LEU 23 Ca 0.09 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2akl s LEU 23 Cb -0.02 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 2akl s LEU 23 CO 0.07 0.18 -0.21 -0.69 0.23 0.00 0.00 176.35 175.93 2akl s VAL 24 N 0.32 2.39 -0.44 -1.59 1.01 -0.49 -0.37 120.40 121.23 2akl s VAL 24 Ca -0.01 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 2akl s VAL 24 Cb -0.13 -1.93 0.07 0.00 0.00 0.00 0.00 36.38 34.39 2akl s VAL 24 CO 0.02 0.56 0.32 0.00 0.00 0.00 0.00 175.10 176.00 2akl n PRO 26 N 5.06 0.04 0.06 0.00 -0.04 -1.25 -2.14 135.00 136.73 2akl n PRO 26 Ca -0.11 0.33 -0.03 0.00 -0.04 0.00 0.00 63.50 63.65 2akl n PRO 26 Cb 0.43 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.17 -0.60 0.54 4.57 -1.91 -3.36 114.58 113.64 2akl h GLU 27 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2akl h GLU 27 Cb 0.23 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2akl h GLU 27 CO 0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 179.01 177.71 2akl n ALA 29 N 1.00 -0.76 -3.39 0.00 0.00 -0.91 -4.98 120.51 111.48 2akl n ALA 29 Ca 0.20 0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.69 2akl n ALA 29 Cb 0.61 -2.96 -0.16 0.00 0.00 0.00 0.00 19.45 16.95 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 -3.08 0.43 0.38 0.00 5.04 -1.16 -5.03 115.29 111.87 2akl s HIS 30 Ca 0.15 -0.07 0.08 0.00 -1.54 0.00 0.00 55.06 53.67 2akl s HIS 30 Cb -0.06 -0.41 -0.02 0.00 0.04 0.00 0.00 32.58 32.12 2akl s HIS 30 CO 0.18 -0.10 0.35 -1.83 -2.34 0.00 0.00 174.74 171.00 2akl s GLU 31 N 0.61 2.66 0.06 2.88 1.03 -1.26 -2.08 118.70 122.60 2akl s GLU 31 Ca -0.07 -1.38 -0.27 0.00 0.03 0.00 0.00 54.97 53.28 2akl s GLU 31 Cb -0.10 -2.46 0.09 0.00 -0.80 0.00 0.00 34.13 30.85 2akl s GLU 31 CO -0.01 -0.05 0.85 1.67 -1.33 0.00 0.00 175.26 176.39 2akl s TRP 32 N -2.37 -0.33 -0.06 4.83 1.48 0.50 -4.95 118.94 118.03 2akl s TRP 32 Ca 0.45 0.14 0.05 0.00 -1.06 0.00 0.00 56.10 55.68 2akl s TRP 32 Cb -0.05 0.57 -0.02 0.00 -1.16 0.00 0.00 33.47 32.81 2akl s TRP 32 CO 0.28 -0.67 -0.19 0.45 -4.06 0.00 0.00 176.95 172.75 2akl s SER 33 N -2.63 3.56 0.63 -2.66 0.15 -1.26 -1.03 113.70 110.46 2akl s SER 33 Ca 0.06 -0.36 0.36 0.00 0.70 0.00 0.00 55.95 56.71 2akl s SER 33 Cb -0.01 -0.89 2.08 0.00 -1.71 0.00 0.00 66.02 65.49 2akl s SER 33 CO -0.07 0.28 2.28 1.55 1.20 0.00 0.00 173.24 178.48 2akl h PRO 34 N 5.81 0.00 0.00 5.44 0.13 -1.96 -2.57 132.00 138.86 2akl h PRO 34 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2akl h PRO 34 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2akl h PRO 34 CO 0.50 0.00 -0.79 0.27 -0.23 0.00 0.00 178.00 177.74 2akl n ASN 35 N -3.47 3.03 0.27 1.44 6.94 -1.26 -4.77 115.26 117.44 2akl n ASN 35 Ca -0.03 0.00 0.16 0.00 -0.02 0.00 0.00 54.58 54.69 2akl n ASN 35 Cb 0.11 0.00 0.72 0.00 -2.36 0.00 0.00 39.78 38.25 2akl n ASN 35 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2akl h GLU 36 N 0.00 0.00 -0.10 -3.83 4.81 -1.98 -1.54 114.58 111.94 2akl h GLU 36 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2akl h GLU 36 Cb 0.79 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2akl h GLU 36 CO 0.00 0.07 -0.41 0.00 -0.73 0.00 0.00 179.01 177.94 2akl h ALA 37 N 1.93 1.11 -0.03 2.92 0.00 -1.76 -3.02 119.26 120.41 2akl h ALA 37 Ca -0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 2akl h ALA 37 Cb 0.45 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2akl h ALA 37 CO 0.01 0.59 -0.62 0.00 0.00 0.00 0.00 179.25 179.22 2akl h ALA 38 N 1.38 0.12 -0.72 0.00 0.00 -1.53 -3.49 119.26 115.02 2akl h ALA 38 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2akl h ALA 38 Cb 0.81 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2akl h ALA 38 CO 0.06 0.40 0.00 -2.37 0.00 0.00 0.00 179.25 177.34 2akl n THR 39 N -4.18 0.00 -3.65 0.00 5.66 -0.93 -4.88 114.28 106.30 2akl n THR 39 Ca -0.10 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.66 2akl n THR 39 Cb 0.68 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.52 2akl n THR 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2akl n ALA 40 N 0.63 -1.44 -1.12 1.79 0.00 -1.26 -4.88 120.51 114.23 2akl n ALA 40 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 53.44 53.45 2akl n ALA 40 Cb 0.00 -4.69 0.14 0.00 0.00 0.00 0.00 19.45 14.90 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 -3.00 4.93 -3.77 0.00 7.64 -1.26 -4.90 113.62 113.26 2akl n SER 41 Ca -0.04 -3.54 -0.10 0.00 1.01 0.00 0.00 58.87 56.20 2akl n SER 41 Cb 0.57 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.24 -0.20 0.13 6.43 -1.08 -1.26 -5.05 116.67 114.39 2akl s ASP 42 Ca 0.55 -0.53 0.06 0.00 -0.52 0.00 0.00 52.55 52.11 2akl s ASP 42 Cb 0.45 0.54 -0.16 0.00 -1.46 0.00 0.00 42.92 42.29 2akl s ASP 42 CO 0.07 -1.00 1.30 -0.78 0.52 0.00 0.00 175.17 175.28 2akl h ASP 43 N 2.28 0.03 0.00 -0.34 3.58 -1.98 -3.48 116.42 116.51 2akl h ASP 43 Ca -0.30 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2akl h ASP 43 Cb 1.26 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2akl h ASP 43 CO 0.40 0.99 0.00 0.61 -2.88 0.00 0.00 179.24 178.36 2akl n GLY 44 N 1.25 2.98 0.28 -0.78 0.00 -1.26 -4.87 105.19 102.80 2akl n GLY 44 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.31 1.36 -3.13 1.61 5.02 -1.25 -3.31 118.16 118.15 2akl n LYS 45 Ca 0.00 -0.55 -0.44 0.00 -2.02 0.00 0.00 58.31 55.30 2akl n LYS 45 Cb 0.00 -1.17 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 2akl n LYS 45 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2akl s VAL 46 N -1.81 4.84 0.01 -0.18 1.01 -1.26 -4.59 120.40 118.42 2akl s VAL 46 Ca 0.15 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 2akl s VAL 46 Cb 0.07 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2akl s VAL 46 CO 0.11 -0.84 0.96 -0.63 0.00 0.00 0.00 175.10 174.70 2akl s ILE 47 N 2.72 4.83 0.37 2.22 -1.09 -1.26 -4.93 121.20 124.06 2akl s ILE 47 Ca 0.16 2.02 0.08 0.00 -2.23 0.00 0.00 60.65 60.68 2akl s ILE 47 Cb -0.19 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.36 2akl s ILE 47 CO 0.12 0.19 0.25 -0.75 -1.23 0.00 0.00 174.94 173.52 2akl s LYS 48 N 0.86 2.50 0.42 2.79 2.20 -1.26 -2.29 119.74 124.97 2akl s LYS 48 Ca 0.50 -1.50 0.08 0.00 -0.36 0.00 0.00 55.97 54.69 2akl s LYS 48 Cb -0.21 -2.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.80 2akl s LYS 48 CO 0.28 0.01 0.41 -0.51 -0.36 0.00 0.00 175.35 175.17 2akl s ASP 49 N -3.97 5.10 0.00 1.43 1.01 0.98 -4.62 116.67 116.60 2akl s ASP 49 Ca 0.42 -0.73 0.28 0.00 0.71 0.00 0.00 52.55 53.23 2akl s ASP 49 Cb -0.03 -0.53 1.05 0.00 1.01 0.00 0.00 42.92 44.42 2akl s ASP 49 CO 0.25 -0.70 1.80 -0.24 0.21 0.00 0.00 175.17 176.49 2akl n SER 50 N -1.60 0.13 -0.52 0.27 2.88 -0.67 -2.78 113.62 111.34 2akl n SER 50 Ca 0.04 0.29 0.11 0.00 -1.33 0.00 0.00 58.87 57.98 2akl n SER 50 Cb 0.62 -0.30 0.39 0.00 -0.75 0.00 0.00 64.21 64.17 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 -1.50 0.19 -0.40 2.46 3.14 -1.26 -4.90 118.33 116.07 2akl n VAL 51 Ca 0.07 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 2akl n VAL 51 Cb 0.34 0.33 0.00 0.00 -1.06 0.00 0.00 33.84 33.45 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 1.11 0.89 3.89 7.55 0.00 -1.12 -5.04 105.19 112.47 2akl n GLY 52 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.00 5.73 -0.06 1.61 6.03 -1.26 -4.88 114.94 119.11 2akl s ASN 53 Ca 0.00 -0.22 -0.03 0.00 -1.03 0.00 0.00 52.86 51.58 2akl s ASN 53 Cb 0.00 -1.39 -0.04 0.00 -3.03 0.00 0.00 41.25 36.79 2akl s ASN 53 CO 0.00 -0.18 0.11 -0.69 -2.03 0.00 0.00 177.10 174.31 2akl s VAL 54 N -2.14 5.07 0.62 3.54 1.01 -1.26 -0.01 120.40 127.22 2akl s VAL 54 Ca 0.37 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.25 2akl s VAL 54 Cb -0.08 -3.26 0.08 0.00 0.00 0.00 0.00 36.38 33.12 2akl s VAL 54 CO 0.27 0.48 0.86 -0.76 0.00 0.00 0.00 175.10 175.95 2akl s LEU 55 N -1.40 3.14 0.06 3.92 1.43 -0.97 -4.94 118.68 119.93 2akl s LEU 55 Ca 0.20 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2akl s LEU 55 Cb -0.12 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 2akl s LEU 55 CO 0.10 -1.46 -0.04 -1.58 0.23 0.00 0.00 176.35 173.59 2akl s GLN 56 N -4.88 0.67 0.12 1.70 0.74 -1.26 -4.82 119.66 111.94 2akl s GLN 56 Ca 0.62 -1.23 -0.31 0.00 0.05 0.00 0.00 55.36 54.49 2akl s GLN 56 Cb -0.07 0.06 -0.08 0.00 1.10 0.00 0.00 33.01 34.02 2akl s GLN 56 CO 0.41 -0.07 1.36 0.16 -0.55 0.00 0.00 175.29 176.59 2akl s ASP 57 N -2.89 6.86 0.00 6.67 -4.77 -1.26 -2.18 116.67 119.09 2akl s ASP 57 Ca 0.08 2.30 0.00 0.00 -3.30 0.00 0.00 52.55 51.63 2akl s ASP 57 Cb 0.06 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 2akl s ASP 57 CO -0.08 -0.62 0.00 0.61 0.70 0.00 0.00 175.17 175.78 2akl n GLY 58 N 3.34 1.15 3.85 2.12 0.00 0.86 -4.91 105.19 111.61 2akl n GLY 58 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2akl n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2akl s ASP 59 N -2.88 4.57 -0.06 1.61 -1.08 -0.93 -2.71 116.67 115.20 2akl s ASP 59 Ca 0.00 1.02 -0.11 0.00 -0.52 0.00 0.00 52.55 52.94 2akl s ASP 59 Cb 0.00 -1.67 -0.05 0.00 -1.46 0.00 0.00 42.92 39.75 2akl s ASP 59 CO 0.00 -1.89 0.28 -0.89 0.52 0.00 0.00 175.17 173.19 2akl s THR 60 N -3.37 5.26 0.31 1.71 2.01 -1.26 -0.85 115.64 119.44 2akl s THR 60 Ca 0.61 0.53 0.07 0.00 0.31 0.00 0.00 61.69 63.21 2akl s THR 60 Cb -0.12 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 2akl s THR 60 CO 0.52 0.60 -0.06 0.27 -0.69 0.00 0.00 174.62 175.25 2akl s ILE 61 N -1.06 1.81 -0.16 1.82 -5.25 0.47 -1.26 121.20 117.57 2akl s ILE 61 Ca 0.20 -2.13 -0.06 0.00 -0.99 0.00 0.00 60.65 57.66 2akl s ILE 61 Cb -0.14 -2.56 0.08 0.00 2.95 0.00 0.00 42.46 42.78 2akl s ILE 61 CO 0.09 -0.24 0.35 -0.89 -1.79 0.00 0.00 174.94 172.46 2akl s THR 62 N -2.90 -0.49 0.14 8.37 2.01 0.17 -1.75 115.64 121.21 2akl s THR 62 Ca 0.31 0.21 -0.31 0.00 0.31 0.00 0.00 61.69 62.21 2akl s THR 62 Cb 0.04 -0.56 -0.10 0.00 0.01 0.00 0.00 72.50 71.89 2akl s THR 62 CO 0.14 0.09 1.70 0.54 -0.69 0.00 0.00 174.62 176.39 2akl s VAL 63 N 2.39 2.54 -0.74 3.82 0.11 -1.15 -0.70 120.40 126.66 2akl s VAL 63 Ca -0.01 0.23 0.16 0.00 -2.93 0.00 0.00 61.98 59.43 2akl s VAL 63 Cb -0.12 -3.15 0.76 0.00 -1.53 0.00 0.00 36.38 32.34 2akl s VAL 63 CO -0.11 0.01 1.67 2.30 -3.33 0.00 0.00 175.10 175.64 2akl n ILE 64 N 4.36 2.22 -4.08 7.04 -0.00 -0.11 -0.26 119.36 128.53 2akl n ILE 64 Ca 0.16 -1.25 -0.08 0.00 -0.00 0.00 0.00 62.75 61.58 2akl n ILE 64 Cb 0.38 -0.07 -0.10 0.00 -0.00 0.00 0.00 39.64 39.85 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 -2.26 0.72 -0.35 6.28 3.01 -1.26 -4.78 119.74 121.11 2akl s LYS 65 Ca 0.52 -1.25 -0.28 0.00 -1.01 0.00 0.00 55.97 53.95 2akl s LYS 65 Cb 0.36 0.23 0.02 0.00 -1.01 0.00 0.00 37.83 37.43 2akl s LYS 65 CO 0.20 -0.17 1.03 0.16 0.51 0.00 0.00 175.35 177.09 2akl s ASP 66 N -2.95 6.82 0.03 2.83 -4.77 -1.26 -2.63 116.67 114.74 2akl s ASP 66 Ca 0.11 0.85 0.05 0.00 -3.30 0.00 0.00 52.55 50.26 2akl s ASP 66 Cb 0.07 -2.52 -0.02 0.00 -1.09 0.00 0.00 42.92 39.37 2akl s ASP 66 CO -0.07 -0.90 -0.14 -0.76 0.70 0.00 0.00 175.17 174.00 2akl s LEU 67 N 3.67 2.13 0.67 2.11 1.43 0.19 -5.02 118.68 123.86 2akl s LEU 67 Ca 0.43 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 2akl s LEU 67 Cb -0.12 -0.61 0.12 0.00 0.03 0.00 0.00 46.19 45.61 2akl s LEU 67 CO 0.18 0.06 0.92 -1.59 0.23 0.00 0.00 176.35 176.16 2akl s LYS 68 N -0.91 1.88 -0.08 1.70 -2.85 -1.26 0.60 119.74 118.81 2akl s LYS 68 Ca 0.02 -1.35 0.02 0.00 -1.00 0.00 0.00 55.97 53.66 2akl s LYS 68 Cb -0.07 -2.45 0.01 0.00 -2.06 0.00 0.00 37.83 33.26 2akl s LYS 68 CO 0.01 -1.25 -0.13 0.08 0.10 0.00 0.00 175.35 174.15 2akl s VAL 69 N -2.97 1.27 -0.09 1.79 1.01 -1.22 -4.61 120.40 115.57 2akl s VAL 69 Ca 0.65 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 2akl s VAL 69 Cb -0.05 -1.16 -0.28 0.00 0.00 0.00 0.00 36.38 34.88 2akl s VAL 69 CO 0.42 0.39 0.74 0.07 0.00 0.00 0.00 175.10 176.72 2akl h LYS 70 N 7.21 0.21 0.00 2.72 2.10 -2.00 -3.35 116.57 123.46 2akl h LYS 70 Ca -0.30 -0.36 -0.13 0.00 -2.00 0.00 0.00 60.65 57.86 2akl h LYS 70 Cb 1.18 0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 2akl h LYS 70 CO 0.47 1.17 -0.61 0.78 -2.00 0.00 0.00 179.45 179.26 2akl h GLY 71 N -0.42 0.00 -2.33 0.07 0.00 -1.97 -3.46 103.07 94.96 2akl h GLY 71 Ca -0.17 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.63 2akl h GLY 71 CO 0.07 0.00 -0.50 -0.56 0.00 0.00 0.00 176.54 175.55 2akl s SER 72 N -6.52 4.85 -0.02 0.19 0.01 -1.26 -4.99 113.70 105.96 2akl s SER 72 Ca 0.03 -0.72 0.07 0.00 1.31 0.00 0.00 55.95 56.64 2akl s SER 72 Cb 0.08 -0.76 0.23 0.00 0.21 0.00 0.00 66.02 65.78 2akl s SER 72 CO 0.76 -0.35 1.13 -0.24 0.41 0.00 0.00 173.24 174.95 2akl n SER 73 N -1.24 1.59 -4.54 2.44 2.88 -1.26 -4.66 113.62 108.84 2akl n SER 73 Ca -0.02 -2.06 -0.29 0.00 -1.33 0.00 0.00 58.87 55.16 2akl n SER 73 Cb 0.61 -0.25 0.15 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.99 2.06 -0.29 2.46 2.01 -1.26 -5.02 118.68 117.65 2akl s LEU 74 Ca 0.17 0.74 -0.06 0.00 0.01 0.00 0.00 54.13 55.00 2akl s LEU 74 Cb 0.10 -2.96 0.15 0.00 0.01 0.00 0.00 46.19 43.49 2akl s LEU 74 CO 0.10 -2.70 0.60 -0.69 1.01 0.00 0.00 176.35 174.68 2akl s VAL 75 N -3.42 -0.96 -0.72 -1.59 1.01 -1.26 -3.42 120.40 110.04 2akl s VAL 75 Ca 0.67 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 2akl s VAL 75 Cb -0.11 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.42 2akl s VAL 75 CO 0.53 -0.00 0.85 -0.69 0.00 0.00 0.00 175.10 175.79 2akl s VAL 76 N 2.85 4.84 0.00 2.92 1.01 0.20 -4.98 120.40 127.23 2akl s VAL 76 Ca 0.06 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 2akl s VAL 76 Cb -0.13 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 2akl s VAL 76 CO -0.19 -1.25 0.12 -1.59 0.00 0.00 0.00 175.10 172.19 2akl s LYS 77 N 2.53 3.21 -0.79 2.72 0.00 -1.26 0.54 119.74 126.69 2akl s LYS 77 Ca 0.19 -0.44 -0.26 0.00 0.00 0.00 0.00 55.97 55.46 2akl s LYS 77 Cb -0.17 -2.95 -0.17 0.00 0.00 0.00 0.00 37.83 34.55 2akl s LYS 77 CO 0.01 0.65 2.51 1.55 0.00 0.00 0.00 175.35 180.07 2akl n VAL 78 N 1.01 -0.03 0.00 1.79 3.14 -1.08 0.04 118.33 123.19 2akl n VAL 78 Ca -0.12 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 2akl n VAL 78 Cb 0.52 -1.48 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 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 -0.06 3.57 7.55 0.00 0.64 -4.94 105.19 118.19 2akl n GLY 79 Ca 0.53 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 2akl n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2akl s THR 80 N -0.86 3.10 -0.35 2.61 2.01 0.11 -4.85 115.64 117.39 2akl s THR 80 Ca 0.00 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.87 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 0.63 -0.75 -0.69 0.00 0.00 174.62 173.65 2akl s LYS 81 N 7.33 3.68 -0.20 4.92 2.20 -1.26 -2.95 119.74 133.46 2akl s LYS 81 Ca 0.93 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 2akl s LYS 81 Cb -0.21 -3.81 0.05 0.00 -1.51 0.00 0.00 37.83 32.34 2akl s LYS 81 CO 0.29 -0.73 -0.08 0.08 -0.36 0.00 0.00 175.35 174.55 2akl s VAL 82 N 2.70 1.45 0.33 4.02 1.01 -0.72 -4.99 120.40 124.20 2akl s VAL 82 Ca 0.24 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2akl s VAL 82 Cb -0.14 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2akl s VAL 82 CO 0.15 0.09 0.50 -1.59 0.00 0.00 0.00 175.10 174.25 2akl s LYS 83 N 1.47 3.35 -1.06 2.72 -2.85 -1.26 -0.39 119.74 121.72 2akl s LYS 83 Ca -0.02 -0.58 -0.04 0.00 -1.00 0.00 0.00 55.97 54.34 2akl s LYS 83 Cb -0.17 -2.73 0.00 0.00 -2.06 0.00 0.00 37.83 32.88 2akl s LYS 83 CO -0.08 0.15 0.90 0.09 0.10 0.00 0.00 175.35 176.52 2akl n ASN 84 N -1.71 -3.86 -3.93 0.03 3.02 -0.03 -4.85 115.26 103.93 2akl n ASN 84 Ca -0.04 -0.48 -0.30 0.00 -0.03 0.00 0.00 54.58 53.73 2akl n ASN 84 Cb 0.57 -4.28 0.25 0.00 -0.61 0.00 0.00 39.78 35.71 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 1.60 -0.06 2.41 -4.36 -0.77 -4.36 121.20 112.37 2akl s ILE 85 Ca 0.25 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.66 2akl s ILE 85 Cb -0.11 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.33 2akl s ILE 85 CO 0.60 0.00 -0.10 -0.60 0.24 0.00 0.00 174.94 175.08 2akl s ARG 86 N -5.08 1.48 -0.40 0.37 6.06 0.16 -0.10 118.95 121.44 2akl s ARG 86 Ca 0.69 -0.33 -0.28 0.00 -2.50 0.00 0.00 55.73 53.30 2akl s ARG 86 Cb -0.15 -1.26 0.02 0.00 0.06 0.00 0.00 34.95 33.63 2akl s ARG 86 CO 0.58 -0.00 1.06 -0.51 -2.50 0.00 0.00 175.30 173.93 2akl s LEU 87 N 0.73 3.83 0.81 -0.88 1.43 -1.26 -0.73 118.68 122.61 2akl s LEU 87 Ca -0.14 0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 2akl s LEU 87 Cb -0.15 -3.46 0.16 0.00 0.03 0.00 0.00 46.19 42.76 2akl s LEU 87 CO 0.03 -1.04 1.11 -0.69 0.23 0.00 0.00 176.35 175.99 2akl s VAL 88 N 3.94 2.05 -1.28 -1.59 1.01 -1.08 -4.95 120.40 118.49 2akl s VAL 88 Ca 0.44 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 2akl s VAL 88 Cb -0.10 -2.61 0.08 0.00 0.00 0.00 0.00 36.38 33.75 2akl s VAL 88 CO 0.23 0.00 1.69 -1.81 0.00 0.00 0.00 175.10 175.21 2akl s ASP 89 N -4.82 6.86 0.00 3.32 1.11 -1.26 -4.78 116.67 117.09 2akl s ASP 89 Ca 0.70 -2.48 0.00 0.00 0.18 0.00 0.00 52.55 50.95 2akl s ASP 89 Cb -0.04 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.39 2akl s ASP 89 CO 0.47 -1.13 0.00 0.61 1.18 0.00 0.00 175.17 176.30 2akl n GLY 90 N 5.30 -1.56 0.09 0.21 0.00 -1.26 -5.02 105.19 102.95 2akl n GLY 90 Ca 0.47 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 1.17 0.29 -2.87 1.61 5.75 -1.21 -3.82 116.55 117.46 2akl n ASP 91 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.42 2akl n ASP 91 Cb 0.00 1.01 0.02 0.00 -1.03 0.00 0.00 41.12 41.12 2akl n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2akl n HIS 92 N -2.69 3.15 -3.34 2.11 1.44 -1.26 -4.34 115.22 110.29 2akl n HIS 92 Ca -0.30 -2.68 -0.14 0.00 -2.01 0.00 0.00 57.72 52.59 2akl n HIS 92 Cb 1.10 -0.83 -0.07 0.00 0.12 0.00 0.00 29.99 30.32 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 -1.97 0.83 -0.30 4.39 1.01 -1.26 -4.33 116.67 115.04 2akl s ASP 93 Ca 0.49 -1.34 -0.06 0.00 0.71 0.00 0.00 52.55 52.35 2akl s ASP 93 Cb 0.39 0.76 0.02 0.00 1.01 0.00 0.00 42.92 45.10 2akl s ASP 93 CO -0.30 -0.27 0.08 -0.63 0.21 0.00 0.00 175.17 174.26 2akl s ILE 94 N 1.63 3.86 -0.06 0.77 1.09 -1.14 -2.64 121.20 124.70 2akl s ILE 94 Ca 0.16 -0.82 -0.14 0.00 -1.10 0.00 0.00 60.65 58.75 2akl s ILE 94 Cb -0.14 -3.04 -0.05 0.00 -1.06 0.00 0.00 42.46 38.17 2akl s ILE 94 CO -0.08 0.02 0.35 -0.62 -0.10 0.00 0.00 174.94 174.51 2akl s ASP 95 N 1.47 6.66 0.01 3.58 2.15 0.09 -1.61 116.67 129.02 2akl s ASP 95 Ca 0.01 0.78 0.01 0.00 0.43 0.00 0.00 52.55 53.79 2akl s ASP 95 Cb -0.18 -2.21 -0.01 0.00 -0.30 0.00 0.00 42.92 40.22 2akl s ASP 95 CO 0.02 0.26 -0.04 0.00 -0.17 0.00 0.00 175.17 175.24 2akl s LYS 97 N -0.57 3.60 -0.28 0.00 2.20 -1.26 -0.70 119.74 122.73 2akl s LYS 97 Ca -0.04 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.09 2akl s LYS 97 Cb -0.04 -3.21 0.07 0.00 -1.51 0.00 0.00 37.83 33.14 2akl s LYS 97 CO -0.00 -0.15 -0.06 0.42 -0.36 0.00 0.00 175.35 175.20 2akl s ILE 98 N 1.46 2.14 -0.08 5.43 1.01 -0.67 -4.96 121.20 125.53 2akl s ILE 98 Ca 0.05 -1.79 -0.29 0.00 0.00 0.00 0.00 60.65 58.62 2akl s ILE 98 Cb -0.15 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 2akl s ILE 98 CO 0.02 -0.19 1.87 -0.62 0.00 0.00 0.00 174.94 176.02 2akl s ASP 99 N 1.07 6.31 0.00 3.58 2.15 -1.26 -1.59 116.67 126.93 2akl s ASP 99 Ca -0.03 2.23 0.00 0.00 0.43 0.00 0.00 52.55 55.17 2akl s ASP 99 Cb -0.20 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 2akl s ASP 99 CO -0.06 -1.23 0.00 0.61 -0.17 0.00 0.00 175.17 174.32 2akl n GLY 100 N 4.69 2.56 0.13 2.66 0.00 -1.26 -4.86 105.19 109.11 2akl n GLY 100 Ca 0.21 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 1.55 -1.00 -0.61 -5.35 -1.21 -5.12 119.36 107.63 2akl n ILE 101 Ca 0.00 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2akl n ILE 101 Cb 0.00 -1.86 0.00 0.00 -1.74 0.00 0.00 39.64 36.04 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 1.52 0.59 3.84 3.28 0.00 -0.62 -5.06 105.19 108.73 2akl n GLY 102 Ca -0.44 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 3.33 0.06 4.61 0.00 -1.26 -1.67 121.76 125.83 2akl s ALA 103 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.06 2akl s ALA 103 Cb 0.00 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 2akl s ALA 103 CO 0.00 0.32 -0.04 1.41 0.00 0.00 0.00 175.76 177.45 2akl s MET 104 N -2.69 0.62 -0.07 0.00 0.00 0.12 -4.93 119.30 112.35 2akl s MET 104 Ca 0.51 -1.14 0.04 0.00 0.00 0.00 0.00 55.69 55.11 2akl s MET 104 Cb -0.12 0.07 -0.01 0.00 0.00 0.00 0.00 34.83 34.77 2akl s MET 104 CO 0.18 -0.07 -0.21 0.15 0.00 0.00 0.00 175.02 175.07 2akl s LYS 105 N -3.44 2.72 0.01 4.11 1.02 -1.26 -1.47 119.74 121.43 2akl s LYS 105 Ca 0.04 -0.83 0.08 0.00 0.02 0.00 0.00 55.97 55.28 2akl s LYS 105 Cb 0.04 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 2akl s LYS 105 CO -0.07 0.38 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.00 2akl s LEU 106 N -0.14 2.25 0.08 3.17 1.43 -0.64 -4.98 118.68 119.84 2akl s LEU 106 Ca -0.03 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 2akl s LEU 106 Cb -0.14 -1.37 -0.06 0.00 0.03 0.00 0.00 46.19 44.66 2akl s LEU 106 CO 0.04 0.29 1.18 -0.54 0.23 0.00 0.00 176.35 177.55 2akl s LYS 107 N -0.99 4.45 0.44 1.70 1.02 -1.26 -2.90 119.74 122.20 2akl s LYS 107 Ca 0.11 1.76 0.10 0.00 0.02 0.00 0.00 55.97 57.97 2akl s LYS 107 Cb -0.10 -3.34 0.99 0.00 -0.52 0.00 0.00 37.83 34.86 2akl s LYS 107 CO 0.01 -0.21 2.07 1.03 -0.92 0.00 0.00 175.35 177.34 2akl h SER 108 N 6.54 0.34 0.00 2.83 0.87 -1.84 -1.11 113.55 121.19 2akl h SER 108 Ca -0.42 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2akl h SER 108 Cb 1.21 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2akl h SER 108 CO 0.80 0.24 -0.00 -1.84 -0.53 0.00 0.00 176.83 175.49 2akl n GLU 109 N -4.49 1.35 -0.02 2.24 0.00 -1.26 -3.21 120.64 115.24 2akl n GLU 109 Ca 0.03 -0.53 0.03 0.00 0.00 0.00 0.00 57.16 56.68 2akl n GLU 109 Cb 0.11 -1.49 0.04 0.00 0.00 0.00 0.00 31.44 30.10 2akl n GLU 109 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2akl n PHE 110 N -0.37 0.06 -4.00 -1.84 3.72 -0.43 -4.48 117.46 110.13 2akl n PHE 110 Ca 0.21 -0.15 -0.23 0.00 -0.05 0.00 0.00 57.45 57.22 2akl n PHE 110 Cb 0.25 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.60 2.56 -0.15 -4.37 -7.23 -1.16 -0.93 120.40 108.51 2akl s VAL 111 Ca 0.07 -1.62 -0.10 0.00 -1.81 0.00 0.00 61.98 58.53 2akl s VAL 111 Cb 0.05 -2.99 0.05 0.00 0.56 0.00 0.00 36.38 34.04 2akl s VAL 111 CO 0.07 -0.04 0.38 -0.60 -0.31 0.00 0.00 175.10 174.59 2akl s ARG 112 N -3.94 0.38 -0.01 4.82 3.52 0.12 -1.66 118.95 122.18 2akl s ARG 112 Ca 0.42 0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 56.41 2akl s ARG 112 Cb 0.01 0.02 -0.07 0.00 -1.56 0.00 0.00 34.95 33.35 2akl s ARG 112 CO 0.24 -0.13 1.70 0.21 -0.81 0.00 0.00 175.30 176.51 2akl s LYS 113 N 1.09 4.18 -0.16 5.12 2.20 -1.26 0.43 119.74 131.33 2akl s LYS 113 Ca -0.07 2.28 -0.23 0.00 -0.36 0.00 0.00 55.97 57.59 2akl s LYS 113 Cb -0.07 -3.93 -0.23 0.00 -1.51 0.00 0.00 37.83 32.08 2akl s LYS 113 CO -0.09 -0.84 0.49 0.28 -0.36 0.00 0.00 175.35 174.83 2akl h VAL 114 N 5.42 1.26 -0.00 4.02 2.07 -1.47 -3.47 116.25 124.08 2akl h VAL 114 Ca -0.42 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 64.82 2akl h VAL 114 Cb 1.19 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 33.71 2akl h VAL 114 CO 0.95 0.50 -0.00 0.61 0.02 0.00 0.00 177.57 179.64 2akl n GLY 115 N 1.56 0.49 0.00 2.17 0.00 -1.20 -5.02 105.19 103.18 2akl n GLY 115 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76