#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 4.97 0.24 1.12 1.01 -1.26 -4.92 120.40 121.57 2akl s VAL 2 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 2akl s VAL 2 Cb 0.00 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 33.14 2akl s VAL 2 CO 0.00 0.37 0.93 -0.55 0.00 0.00 0.00 175.10 175.86 2akl s SER 3 N 1.00 -0.05 -0.07 3.32 0.15 -1.26 -5.04 113.70 111.74 2akl s SER 3 Ca 0.06 -0.74 0.11 0.00 0.70 0.00 0.00 55.95 56.08 2akl s SER 3 Cb -0.14 0.61 0.23 0.00 -1.71 0.00 0.00 66.02 65.01 2akl s SER 3 CO 0.04 -1.18 1.16 0.35 1.20 0.00 0.00 173.24 174.80 2akl n THR 4 N -0.59 1.52 -2.79 6.45 -2.24 -1.26 -5.03 114.28 110.35 2akl n THR 4 Ca -0.05 -1.59 -0.25 0.00 -2.27 0.00 0.00 64.05 59.88 2akl n THR 4 Cb 0.60 0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.96 3.56 0.75 3.22 1.43 -1.26 -5.09 118.68 119.33 2akl s LEU 5 Ca 0.21 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.77 2akl s LEU 5 Cb 0.17 -3.43 0.04 0.00 0.03 0.00 0.00 46.19 43.00 2akl s LEU 5 CO 0.05 -0.74 1.08 -2.16 0.23 0.00 0.00 176.35 174.81 2akl s PRO 6 N -4.69 2.44 0.00 1.29 0.04 -1.26 -5.07 135.00 127.75 2akl s PRO 6 Ca 0.49 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2akl s PRO 6 Cb -0.10 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2akl s PRO 6 CO 0.41 -1.50 0.00 -2.30 0.04 0.00 0.00 177.00 173.65 2akl n PRO 7 N -3.42 0.51 -3.62 0.56 -0.02 -1.26 -4.83 135.00 122.92 2akl n PRO 7 Ca 0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 2akl n PRO 7 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 2akl n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2akl n PRO 9 N 3.93 0.55 0.00 0.00 -0.04 -1.26 0.13 135.00 138.31 2akl n PRO 9 Ca -0.14 0.00 0.00 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 32.87 2akl n PRO 9 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2akl n GLN 10 N -0.61 2.57 -0.07 0.54 7.27 -1.26 -4.89 117.38 120.94 2akl n GLN 10 Ca 0.03 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.98 2akl n GLN 10 Cb 0.01 -0.95 -0.05 0.00 2.41 0.00 0.00 30.24 31.66 2akl n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2akl n ASN 12 N -3.26 0.00 0.00 0.00 5.15 0.12 -4.92 115.26 112.35 2akl n ASN 12 Ca -0.25 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 2akl n ASN 12 Cb 0.72 -1.12 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 2akl n ASN 12 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2akl n SER 13 N 0.00 0.00 0.00 1.20 3.41 -1.26 -4.71 113.62 112.26 2akl n SER 13 Ca 0.00 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2akl n SER 13 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2akl n SER 13 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2akl n GLU 14 N -1.42 0.00 -0.87 4.33 0.28 -1.26 -5.02 120.64 116.68 2akl n GLU 14 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 2akl n GLU 14 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 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 0.31 -4.17 -1.84 4.01 -1.26 -4.76 117.16 109.45 2akl n TYR 15 Ca 0.00 -1.41 -0.34 0.00 -0.16 0.00 0.00 57.90 55.99 2akl n TYR 15 Cb 0.00 -1.13 -0.08 0.00 -0.31 0.00 0.00 39.34 37.82 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 4.66 0.32 -0.72 2.01 -1.26 -3.96 115.64 116.70 2akl s THR 16 Ca 0.39 -0.31 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 2akl s THR 16 Cb 0.21 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.66 2akl s THR 16 CO -0.02 0.46 0.50 -0.72 -0.69 0.00 0.00 174.62 174.14 2akl s TYR 17 N -1.08 0.83 -0.18 4.92 1.13 -1.15 -4.94 117.35 116.88 2akl s TYR 17 Ca 0.19 -1.14 -0.05 0.00 -1.41 0.00 0.00 57.07 54.66 2akl s TYR 17 Cb -0.12 0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.77 2akl s TYR 17 CO 0.09 -1.14 -0.01 -1.83 -2.51 0.00 0.00 175.55 170.16 2akl s GLU 18 N -3.19 3.66 -0.72 -3.49 4.04 -1.26 -1.53 118.70 116.20 2akl s GLU 18 Ca 0.28 -0.51 0.03 0.00 0.04 0.00 0.00 54.97 54.81 2akl s GLU 18 Cb -0.01 -3.04 0.18 0.00 0.02 0.00 0.00 34.13 31.28 2akl s GLU 18 CO 0.17 0.11 0.53 0.34 -1.84 0.00 0.00 175.26 174.57 2akl s ASP 19 N 0.74 5.08 0.32 0.83 2.15 -1.12 -4.95 116.67 119.72 2akl s ASP 19 Ca -0.00 -3.66 0.00 0.00 0.43 0.00 0.00 52.55 49.31 2akl s ASP 19 Cb -0.14 -1.72 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 2akl s ASP 19 CO 0.02 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 2akl n GLY 20 N 2.28 1.20 1.10 2.66 0.00 -1.26 -4.16 105.19 107.02 2akl n GLY 20 Ca 0.18 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 3.77 2.99 -3.43 4.61 0.00 -1.26 -4.98 120.51 122.21 2akl n ALA 21 Ca 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 53.44 51.47 2akl n ALA 21 Cb 0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.10 0.00 -4.43 0.00 -0.00 -1.26 -5.01 117.00 106.40 2akl n LEU 22 Ca 0.21 -1.28 -0.33 0.00 -0.00 0.00 0.00 56.01 54.61 2akl n LEU 22 Cb 0.85 1.48 -0.14 0.00 -0.00 0.00 0.00 43.42 45.61 2akl n LEU 22 CO 0.18 -0.35 -0.46 -0.76 -0.00 0.00 0.00 177.39 176.00 2akl s LEU 23 N 0.00 2.69 0.01 1.47 1.43 -0.36 -2.81 118.68 121.11 2akl s LEU 23 Ca 0.11 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2akl s LEU 23 Cb -0.01 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2akl s LEU 23 CO 0.08 0.28 -0.16 0.68 0.23 0.00 0.00 176.35 177.46 2akl s VAL 24 N -0.35 1.28 -0.41 -1.59 -7.23 -0.58 -0.40 120.40 111.12 2akl s VAL 24 Ca 0.03 -0.82 -0.11 0.00 -1.81 0.00 0.00 61.98 59.27 2akl s VAL 24 Cb -0.13 -1.09 0.06 0.00 0.56 0.00 0.00 36.38 35.78 2akl s VAL 24 CO 0.02 0.25 0.26 0.00 -0.31 0.00 0.00 175.10 175.33 2akl n PRO 26 N 5.00 0.15 0.13 0.00 -0.04 -1.25 -1.60 135.00 137.39 2akl n PRO 26 Ca -0.11 0.47 -0.06 0.00 -0.04 0.00 0.00 63.50 63.75 2akl n PRO 26 Cb 0.44 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 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 -0.39 -0.66 0.54 4.81 -1.92 -3.35 114.58 113.60 2akl h GLU 27 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2akl h GLU 27 Cb 0.24 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2akl h GLU 27 CO 0.00 -0.26 0.00 0.00 -0.73 0.00 0.00 179.01 178.02 2akl n ALA 29 N 1.37 -1.69 -3.72 0.00 0.00 -0.63 -5.00 120.51 110.85 2akl n ALA 29 Ca 0.23 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.55 2akl n ALA 29 Cb 0.61 -3.55 -0.17 0.00 0.00 0.00 0.00 19.45 16.34 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 -3.41 0.59 0.07 0.00 5.04 -1.16 -5.02 115.29 111.40 2akl s HIS 30 Ca 0.29 -0.12 -0.12 0.00 -1.54 0.00 0.00 55.06 53.56 2akl s HIS 30 Cb -0.13 -0.68 -0.06 0.00 0.04 0.00 0.00 32.58 31.75 2akl s HIS 30 CO 0.77 -0.25 0.43 -1.21 -2.34 0.00 0.00 174.74 172.13 2akl s GLU 31 N 1.55 3.84 0.14 2.88 2.02 -1.26 -2.08 118.70 125.80 2akl s GLU 31 Ca -0.02 0.30 -0.14 0.00 0.02 0.00 0.00 54.97 55.13 2akl s GLU 31 Cb -0.13 -3.05 0.02 0.00 0.10 0.00 0.00 34.13 31.07 2akl s GLU 31 CO -0.03 0.59 0.38 1.67 0.02 0.00 0.00 175.26 177.88 2akl s TRP 32 N -1.31 -0.03 -0.12 1.61 1.48 0.46 -4.99 118.94 116.04 2akl s TRP 32 Ca 0.31 -0.32 -0.01 0.00 -1.06 0.00 0.00 56.10 55.03 2akl s TRP 32 Cb -0.15 0.19 -0.02 0.00 -1.16 0.00 0.00 33.47 32.33 2akl s TRP 32 CO 0.17 -0.73 -0.10 -1.54 -4.06 0.00 0.00 176.95 170.69 2akl s SER 33 N -2.86 4.34 0.23 -2.66 1.04 -1.26 -1.22 113.70 111.32 2akl s SER 33 Ca 0.07 -0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 2akl s SER 33 Cb 0.02 -1.50 0.38 0.00 0.10 0.00 0.00 66.02 65.02 2akl s SER 33 CO -0.08 0.22 1.75 1.55 0.98 0.00 0.00 173.24 177.66 2akl h PRO 34 N 6.31 0.48 0.00 4.02 0.13 -1.95 -2.80 132.00 138.18 2akl h PRO 34 Ca -0.33 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2akl h PRO 34 Cb 1.19 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2akl h PRO 34 CO 0.57 0.31 -0.77 0.09 -0.23 0.00 0.00 178.00 177.97 2akl n ASN 35 N -4.95 3.85 0.25 1.44 5.03 -1.26 -4.73 115.26 114.88 2akl n ASN 35 Ca 0.12 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.69 2akl n ASN 35 Cb 0.34 0.48 0.64 0.00 -1.02 0.00 0.00 39.78 40.22 2akl n ASN 35 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2akl h GLU 36 N 0.00 0.00 -0.49 3.52 3.07 -1.95 -0.11 114.58 118.62 2akl h GLU 36 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 2akl h GLU 36 Cb 0.58 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 2akl h GLU 36 CO 0.00 0.16 -0.01 0.00 -1.40 0.00 0.00 179.01 177.75 2akl h ALA 37 N 1.84 1.06 0.17 3.43 0.00 -1.78 -2.62 119.26 121.36 2akl h ALA 37 Ca -0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 54.91 54.34 2akl h ALA 37 Cb 0.48 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2akl h ALA 37 CO 0.02 0.59 -1.32 0.00 0.00 0.00 0.00 179.25 178.54 2akl h ALA 38 N 1.22 0.02 -1.87 0.00 0.00 -1.66 -3.50 119.26 113.47 2akl h ALA 38 Ca 0.14 -0.88 0.02 0.00 0.00 0.00 0.00 54.91 54.19 2akl h ALA 38 Cb 0.48 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2akl h ALA 38 CO 0.02 0.89 -0.51 2.41 0.00 0.00 0.00 179.25 182.07 2akl n THR 39 N -3.59 -1.35 -2.81 0.00 -1.04 -0.11 -4.75 114.28 100.64 2akl n THR 39 Ca -0.11 0.70 -0.43 0.00 -2.04 0.00 0.00 64.05 62.17 2akl n THR 39 Cb 1.05 -1.16 -0.04 0.00 -1.82 0.00 0.00 70.33 68.36 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 -4.59 3.06 -0.69 2.41 0.00 -1.26 -4.98 121.76 115.71 2akl s ALA 40 Ca 0.00 -1.79 -0.27 0.00 0.00 0.00 0.00 51.96 49.91 2akl s ALA 40 Cb 0.00 -3.92 0.02 0.00 0.00 0.00 0.00 23.12 19.21 2akl s ALA 40 CO 0.00 -2.85 1.44 0.45 0.00 0.00 0.00 175.76 174.80 2akl s SER 41 N 3.70 5.92 0.08 0.00 0.15 -1.26 -4.94 113.70 117.35 2akl s SER 41 Ca 0.24 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 2akl s SER 41 Cb -0.15 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 2akl s SER 41 CO 0.11 -1.97 0.00 -0.62 1.20 0.00 0.00 173.24 171.96 2akl s ASP 42 N 4.93 0.44 0.06 5.45 -1.08 -1.26 -5.04 116.67 120.17 2akl s ASP 42 Ca 0.45 -1.08 0.24 0.00 -0.52 0.00 0.00 52.55 51.64 2akl s ASP 42 Cb -0.09 0.23 0.39 0.00 -1.46 0.00 0.00 42.92 41.99 2akl s ASP 42 CO 0.17 -0.65 1.33 0.47 0.52 0.00 0.00 175.17 177.02 2akl n ASP 43 N 0.02 0.60 -0.64 -0.34 8.00 -1.26 -4.96 116.55 117.97 2akl n ASP 43 Ca -0.11 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2akl n ASP 43 Cb 0.62 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 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 1.41 0.84 0.09 0.44 0.00 -1.26 -4.68 105.19 102.03 2akl n GLY 44 Ca 0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -4.43 1.61 1.57 -1.93 -2.11 116.57 111.28 2akl h LYS 45 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2akl h LYS 45 Cb 0.45 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.54 2akl h LYS 45 CO 0.00 0.54 -0.73 0.54 -0.57 0.00 0.00 179.45 179.22 2akl s VAL 46 N -2.76 0.45 -0.03 0.50 0.11 -1.26 -4.89 120.40 112.53 2akl s VAL 46 Ca -0.02 -0.89 -0.13 0.00 -2.93 0.00 0.00 61.98 58.01 2akl s VAL 46 Cb 0.09 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 2akl s VAL 46 CO 0.81 -0.31 0.33 -0.63 -3.33 0.00 0.00 175.10 171.98 2akl s ILE 47 N -1.15 5.17 0.53 7.04 -1.09 -1.25 -4.39 121.20 126.06 2akl s ILE 47 Ca -0.09 0.66 0.07 0.00 -2.23 0.00 0.00 60.65 59.06 2akl s ILE 47 Cb -0.08 -3.62 0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2akl s ILE 47 CO 0.00 0.59 0.48 -0.54 -1.23 0.00 0.00 174.94 174.24 2akl s LYS 48 N -1.06 2.31 0.47 2.79 3.01 -1.22 -2.06 119.74 123.97 2akl s LYS 48 Ca 0.21 -1.86 0.04 0.00 -1.01 0.00 0.00 55.97 53.35 2akl s LYS 48 Cb -0.15 -2.26 -0.04 0.00 -1.01 0.00 0.00 37.83 34.37 2akl s LYS 48 CO 0.11 -0.60 0.07 -0.51 0.51 0.00 0.00 175.35 174.92 2akl s ASP 49 N -4.34 4.13 0.00 2.83 1.01 -0.03 -4.56 116.67 115.71 2akl s ASP 49 Ca 0.42 -1.44 0.16 0.00 0.71 0.00 0.00 52.55 52.40 2akl s ASP 49 Cb -0.03 0.07 0.76 0.00 1.01 0.00 0.00 42.92 44.73 2akl s ASP 49 CO 0.26 -0.70 1.47 -0.24 0.21 0.00 0.00 175.17 176.17 2akl n SER 50 N -1.21 0.00 0.08 0.27 2.88 -0.02 -1.84 113.62 113.78 2akl n SER 50 Ca -0.10 0.20 0.12 0.00 -1.33 0.00 0.00 58.87 57.76 2akl n SER 50 Cb 0.66 -0.36 0.11 0.00 -0.75 0.00 0.00 64.21 63.88 2akl n SER 50 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2akl h VAL 51 N 0.00 0.00 0.00 2.46 2.07 -1.87 -3.47 116.25 115.44 2akl h VAL 51 Ca 0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2akl h VAL 51 Cb 0.19 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2akl h VAL 51 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2akl n GLY 52 N 1.28 0.70 3.95 2.17 0.00 -0.76 -5.07 105.19 107.46 2akl n GLY 52 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.78 6.01 -0.08 1.61 6.03 -1.26 -4.85 114.94 119.62 2akl s ASN 53 Ca 0.00 0.35 0.02 0.00 -1.03 0.00 0.00 52.86 52.20 2akl s ASN 53 Cb 0.00 -1.71 -0.02 0.00 -3.03 0.00 0.00 41.25 36.48 2akl s ASN 53 CO 0.00 -0.55 -0.14 -0.69 -2.03 0.00 0.00 177.10 173.69 2akl s VAL 54 N -2.47 3.00 0.64 3.54 1.01 -1.26 -0.85 120.40 124.01 2akl s VAL 54 Ca 0.45 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2akl s VAL 54 Cb -0.10 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.17 2akl s VAL 54 CO 0.37 0.57 0.88 -0.76 0.00 0.00 0.00 175.10 176.16 2akl s LEU 55 N -0.32 3.11 0.07 3.92 1.43 -0.88 -5.01 118.68 121.00 2akl s LEU 55 Ca 0.03 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2akl s LEU 55 Cb -0.13 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2akl s LEU 55 CO 0.02 -1.52 -0.20 -1.58 0.23 0.00 0.00 176.35 173.30 2akl s GLN 56 N -4.93 1.21 -0.44 1.70 0.74 -1.26 -4.78 119.66 111.90 2akl s GLN 56 Ca 0.62 -1.01 -0.28 0.00 0.05 0.00 0.00 55.36 54.75 2akl s GLN 56 Cb -0.07 -1.37 -0.02 0.00 1.10 0.00 0.00 33.01 32.65 2akl s GLN 56 CO 0.41 0.34 1.85 0.16 -0.55 0.00 0.00 175.29 177.49 2akl s ASP 57 N -1.48 5.59 0.00 6.67 -4.77 -1.26 -0.88 116.67 120.54 2akl s ASP 57 Ca 0.06 0.92 0.00 0.00 -3.30 0.00 0.00 52.55 50.23 2akl s ASP 57 Cb -0.09 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 2akl s ASP 57 CO 0.03 -2.01 0.00 0.61 0.70 0.00 0.00 175.17 174.49 2akl n GLY 58 N 5.55 0.90 3.82 2.12 0.00 0.53 -4.91 105.19 113.20 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 -1.15 3.95 -0.12 1.61 -1.08 -0.06 -3.20 116.67 116.62 2akl s ASP 59 Ca 0.00 0.95 -0.04 0.00 -0.52 0.00 0.00 52.55 52.94 2akl s ASP 59 Cb 0.00 -1.52 -0.03 0.00 -1.46 0.00 0.00 42.92 39.90 2akl s ASP 59 CO 0.00 -2.27 0.03 -0.89 0.52 0.00 0.00 175.17 172.56 2akl s THR 60 N -3.36 4.53 0.36 1.71 2.01 -1.26 -0.27 115.64 119.36 2akl s THR 60 Ca 0.63 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.56 2akl s THR 60 Cb -0.14 -2.95 -0.07 0.00 0.01 0.00 0.00 72.50 69.35 2akl s THR 60 CO 0.52 0.57 -0.06 0.27 -0.69 0.00 0.00 174.62 175.23 2akl s ILE 61 N -0.54 2.10 -0.15 1.82 -5.25 0.65 -1.31 121.20 118.53 2akl s ILE 61 Ca 0.10 -2.14 -0.05 0.00 -0.99 0.00 0.00 60.65 57.57 2akl s ILE 61 Cb -0.12 -2.73 0.07 0.00 2.95 0.00 0.00 42.46 42.63 2akl s ILE 61 CO 0.02 -0.15 0.30 -0.89 -1.79 0.00 0.00 174.94 172.43 2akl s THR 62 N -2.69 -0.47 0.12 8.37 2.01 0.13 -1.83 115.64 121.29 2akl s THR 62 Ca 0.33 0.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.27 2akl s THR 62 Cb 0.05 -0.50 -0.10 0.00 0.01 0.00 0.00 72.50 71.96 2akl s THR 62 CO 0.16 0.10 1.72 0.54 -0.69 0.00 0.00 174.62 176.46 2akl s VAL 63 N 2.46 2.66 -0.73 3.82 0.11 -1.16 -0.59 120.40 126.97 2akl s VAL 63 Ca 0.01 0.24 0.17 0.00 -2.93 0.00 0.00 61.98 59.47 2akl s VAL 63 Cb -0.12 -3.16 0.78 0.00 -1.53 0.00 0.00 36.38 32.35 2akl s VAL 63 CO -0.10 0.00 1.70 2.30 -3.33 0.00 0.00 175.10 175.68 2akl n ILE 64 N 4.55 2.28 -4.10 7.04 -0.00 -0.60 -0.31 119.36 128.22 2akl n ILE 64 Ca 0.16 -1.30 -0.10 0.00 -0.00 0.00 0.00 62.75 61.52 2akl n ILE 64 Cb 0.39 -0.06 -0.09 0.00 -0.00 0.00 0.00 39.64 39.87 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 -2.28 0.97 -0.38 6.28 3.01 -1.26 -4.81 119.74 121.27 2akl s LYS 65 Ca 0.53 -1.37 -0.26 0.00 -1.01 0.00 0.00 55.97 53.86 2akl s LYS 65 Cb 0.37 0.27 0.02 0.00 -1.01 0.00 0.00 37.83 37.48 2akl s LYS 65 CO 0.21 -0.29 0.96 0.16 0.51 0.00 0.00 175.35 176.90 2akl s ASP 66 N -3.03 6.70 -0.01 2.83 -4.77 -1.26 -2.40 116.67 114.73 2akl s ASP 66 Ca 0.22 0.60 0.05 0.00 -3.30 0.00 0.00 52.55 50.13 2akl s ASP 66 Cb 0.07 -2.48 -0.01 0.00 -1.09 0.00 0.00 42.92 39.40 2akl s ASP 66 CO 0.01 -0.91 -0.18 -0.76 0.70 0.00 0.00 175.17 174.04 2akl s LEU 67 N 3.61 2.05 0.67 2.11 1.43 0.10 -5.02 118.68 123.62 2akl s LEU 67 Ca 0.40 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2akl s LEU 67 Cb -0.11 -0.90 0.09 0.00 0.03 0.00 0.00 46.19 45.30 2akl s LEU 67 CO 0.20 0.21 0.93 -1.59 0.23 0.00 0.00 176.35 176.33 2akl s LYS 68 N -0.48 2.00 -0.10 1.70 -2.85 -1.26 0.76 119.74 119.51 2akl s LYS 68 Ca 0.07 -0.88 0.02 0.00 -1.00 0.00 0.00 55.97 54.18 2akl s LYS 68 Cb -0.07 -2.35 0.01 0.00 -2.06 0.00 0.00 37.83 33.36 2akl s LYS 68 CO -0.00 -1.20 -0.16 0.08 0.10 0.00 0.00 175.35 174.16 2akl s VAL 69 N -3.05 1.54 -0.06 1.79 1.01 -1.13 -4.64 120.40 115.85 2akl s VAL 69 Ca 0.63 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 2akl s VAL 69 Cb -0.08 -1.39 -0.26 0.00 0.00 0.00 0.00 36.38 34.65 2akl s VAL 69 CO 0.43 0.45 0.59 0.07 0.00 0.00 0.00 175.10 176.63 2akl h LYS 70 N 7.29 0.20 0.00 2.72 2.10 -1.99 -3.35 116.57 123.54 2akl h LYS 70 Ca -0.30 -0.33 -0.19 0.00 -2.00 0.00 0.00 60.65 57.82 2akl h LYS 70 Cb 1.18 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 2akl h LYS 70 CO 0.49 1.00 -0.87 0.78 -2.00 0.00 0.00 179.45 178.85 2akl h GLY 71 N 1.88 0.19 -1.57 0.07 0.00 -1.96 -3.46 103.07 98.21 2akl h GLY 71 Ca -0.34 -0.33 -0.54 0.00 0.00 0.00 0.00 47.33 46.13 2akl h GLY 71 CO 0.11 0.29 -0.29 -0.56 0.00 0.00 0.00 176.54 176.09 2akl s SER 72 N -6.91 4.85 0.00 0.19 0.01 -1.26 -5.03 113.70 105.56 2akl s SER 72 Ca -0.02 -1.01 0.23 0.00 1.31 0.00 0.00 55.95 56.46 2akl s SER 72 Cb 0.10 0.07 0.13 0.00 0.21 0.00 0.00 66.02 66.54 2akl s SER 72 CO 0.82 -1.00 1.18 -1.20 0.41 0.00 0.00 173.24 173.45 2akl n SER 73 N -1.78 1.86 -4.77 2.44 7.64 -1.26 -4.68 113.62 113.07 2akl n SER 73 Ca 0.03 -1.41 -0.38 0.00 1.01 0.00 0.00 58.87 58.12 2akl n SER 73 Cb 0.63 0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 64.19 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 -2.48 4.37 -0.19 -3.43 1.02 -1.26 -4.96 118.68 111.75 2akl s LEU 74 Ca 0.20 2.01 -0.04 0.00 0.02 0.00 0.00 54.13 56.32 2akl s LEU 74 Cb 0.18 -3.92 -0.02 0.00 0.02 0.00 0.00 46.19 42.45 2akl s LEU 74 CO 0.56 -0.18 -0.03 -0.69 0.02 0.00 0.00 176.35 176.04 2akl s VAL 75 N -1.46 3.77 -0.30 -1.59 1.01 -1.26 -2.86 120.40 117.71 2akl s VAL 75 Ca 0.50 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 2akl s VAL 75 Cb -0.24 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.47 2akl s VAL 75 CO 0.30 0.45 1.14 -0.69 0.00 0.00 0.00 175.10 176.30 2akl s VAL 76 N 0.86 4.42 0.06 2.92 1.01 0.23 -4.98 120.40 124.92 2akl s VAL 76 Ca -0.00 1.65 0.05 0.00 0.00 0.00 0.00 61.98 63.68 2akl s VAL 76 Cb -0.14 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2akl s VAL 76 CO 0.02 -0.43 -0.08 -1.59 0.00 0.00 0.00 175.10 173.02 2akl s LYS 77 N 3.71 2.35 -0.72 2.72 0.00 -1.26 0.01 119.74 126.54 2akl s LYS 77 Ca 0.48 -0.88 -0.26 0.00 0.00 0.00 0.00 55.97 55.31 2akl s LYS 77 Cb -0.14 -2.41 -0.14 0.00 0.00 0.00 0.00 37.83 35.14 2akl s LYS 77 CO 0.16 0.55 2.49 1.55 0.00 0.00 0.00 175.35 180.10 2akl n VAL 78 N 1.06 -0.05 0.00 1.79 3.14 -1.01 -0.12 118.33 123.15 2akl n VAL 78 Ca -0.14 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.74 2akl n VAL 78 Cb 0.52 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.50 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 6.22 0.27 3.57 7.55 0.00 0.58 -4.93 105.19 118.45 2akl n GLY 79 Ca 0.49 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 2akl n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2akl s THR 80 N -1.07 3.13 -0.33 2.61 2.01 0.84 -4.88 115.64 117.94 2akl s THR 80 Ca 0.00 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.90 2akl s THR 80 Cb 0.00 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 2akl s THR 80 CO 0.00 -0.21 0.67 -0.75 -0.69 0.00 0.00 174.62 173.64 2akl s LYS 81 N 7.09 3.80 -0.19 4.92 2.20 -1.26 -2.97 119.74 133.33 2akl s LYS 81 Ca 0.91 0.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.76 2akl s LYS 81 Cb -0.22 -3.77 0.04 0.00 -1.51 0.00 0.00 37.83 32.37 2akl s LYS 81 CO 0.29 -0.69 -0.10 0.08 -0.36 0.00 0.00 175.35 174.57 2akl s VAL 82 N 2.76 1.56 0.19 4.02 1.01 -0.76 -4.99 120.40 124.19 2akl s VAL 82 Ca 0.27 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2akl s VAL 82 Cb -0.14 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2akl s VAL 82 CO 0.14 0.19 0.32 -1.59 0.00 0.00 0.00 175.10 174.16 2akl s LYS 83 N 1.44 3.44 -0.88 2.72 -2.85 -1.26 -0.25 119.74 122.10 2akl s LYS 83 Ca -0.00 -0.66 -0.03 0.00 -1.00 0.00 0.00 55.97 54.28 2akl s LYS 83 Cb -0.16 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.69 2akl s LYS 83 CO -0.08 0.48 0.75 0.09 0.10 0.00 0.00 175.35 176.68 2akl n ASN 84 N -0.93 -3.48 -3.86 0.03 3.02 0.63 -4.85 115.26 105.83 2akl n ASN 84 Ca -0.08 -0.40 -0.30 0.00 -0.03 0.00 0.00 54.58 53.78 2akl n ASN 84 Cb 0.55 -3.65 0.25 0.00 -0.61 0.00 0.00 39.78 36.33 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 -3.23 1.55 -0.05 2.41 -4.36 -0.84 -4.40 121.20 112.28 2akl s ILE 85 Ca 0.20 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.61 2akl s ILE 85 Cb -0.09 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.36 2akl s ILE 85 CO 0.50 0.00 -0.11 -0.60 0.24 0.00 0.00 174.94 174.97 2akl s ARG 86 N -5.11 1.38 -0.35 0.37 6.06 0.91 -0.34 118.95 121.86 2akl s ARG 86 Ca 0.69 -0.35 -0.29 0.00 -2.50 0.00 0.00 55.73 53.28 2akl s ARG 86 Cb -0.14 -1.20 0.02 0.00 0.06 0.00 0.00 34.95 33.69 2akl s ARG 86 CO 0.58 0.05 1.13 -0.51 -2.50 0.00 0.00 175.30 174.06 2akl s LEU 87 N 0.52 3.85 -0.15 -0.88 1.43 -1.26 -0.91 118.68 121.28 2akl s LEU 87 Ca -0.10 0.95 -0.00 0.00 -1.03 0.00 0.00 54.13 53.95 2akl s LEU 87 Cb -0.13 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 2akl s LEU 87 CO 0.02 -1.01 -0.14 0.68 0.23 0.00 0.00 176.35 176.14 2akl s VAL 88 N 3.98 2.80 -1.09 -1.59 -7.23 -0.98 -4.90 120.40 111.39 2akl s VAL 88 Ca 0.48 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 2akl s VAL 88 Cb -0.12 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.63 2akl s VAL 88 CO 0.21 0.51 0.00 -0.67 -0.31 0.00 0.00 175.10 174.84 2akl n ASP 89 N 4.00 -3.88 0.00 4.85 2.03 -1.26 -4.35 116.55 117.93 2akl n ASP 89 Ca -0.19 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2akl n ASP 89 Cb 0.52 -3.33 0.00 0.00 -0.72 0.00 0.00 41.12 37.59 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 -0.75 0.49 0.09 0.27 0.00 -0.79 -4.87 105.19 99.62 2akl n GLY 90 Ca -0.15 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 1.67 -3.13 1.61 2.03 -1.26 -3.76 116.55 113.70 2akl n ASP 91 Ca 0.00 -0.05 -0.37 0.00 0.52 0.00 0.00 54.79 54.89 2akl n ASP 91 Cb 0.00 0.33 0.02 0.00 -0.72 0.00 0.00 41.12 40.75 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 -2.83 3.12 -3.14 -0.67 1.44 -1.26 -3.44 115.22 108.44 2akl n HIS 92 Ca -0.31 -2.76 0.04 0.00 -2.01 0.00 0.00 57.72 52.68 2akl n HIS 92 Cb 0.96 -0.95 -0.00 0.00 0.12 0.00 0.00 29.99 30.12 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 -1.85 -1.30 -0.25 4.39 1.01 -1.26 -4.56 116.67 112.86 2akl s ASP 93 Ca 0.46 0.01 -0.04 0.00 0.71 0.00 0.00 52.55 53.70 2akl s ASP 93 Cb 0.32 1.79 0.01 0.00 1.01 0.00 0.00 42.92 46.04 2akl s ASP 93 CO -0.24 -0.22 -0.02 -0.63 0.21 0.00 0.00 175.17 174.27 2akl s ILE 94 N 2.69 3.35 -0.12 0.77 1.09 -1.07 -2.32 121.20 125.59 2akl s ILE 94 Ca 0.15 -0.71 -0.16 0.00 -1.10 0.00 0.00 60.65 58.83 2akl s ILE 94 Cb -0.07 -2.63 -0.05 0.00 -1.06 0.00 0.00 42.46 38.66 2akl s ILE 94 CO -0.22 0.27 0.39 -0.62 -0.10 0.00 0.00 174.94 174.66 2akl s ASP 95 N 1.43 6.61 0.05 3.58 -1.08 -0.09 -1.54 116.67 125.63 2akl s ASP 95 Ca 0.03 0.72 -0.07 0.00 -0.52 0.00 0.00 52.55 52.71 2akl s ASP 95 Cb -0.16 -2.24 -0.01 0.00 -1.46 0.00 0.00 42.92 39.06 2akl s ASP 95 CO -0.02 0.09 0.13 0.00 0.52 0.00 0.00 175.17 175.89 2akl s LYS 97 N -2.92 3.35 -0.24 0.00 0.00 -1.26 -0.57 119.74 118.09 2akl s LYS 97 Ca -0.02 -0.63 0.02 0.00 0.00 0.00 0.00 55.97 55.33 2akl s LYS 97 Cb 0.01 -2.68 0.06 0.00 0.00 0.00 0.00 37.83 35.21 2akl s LYS 97 CO -0.06 0.28 -0.09 0.42 0.00 0.00 0.00 175.35 175.90 2akl s ILE 98 N 0.19 1.89 -0.51 3.79 1.09 0.99 -4.94 121.20 123.70 2akl s ILE 98 Ca -0.06 -1.43 -0.27 0.00 -1.10 0.00 0.00 60.65 57.79 2akl s ILE 98 Cb -0.15 -2.05 -0.03 0.00 -1.06 0.00 0.00 42.46 39.18 2akl s ILE 98 CO 0.04 -0.03 1.91 -1.81 -0.10 0.00 0.00 174.94 174.95 2akl s ASP 99 N 1.24 5.36 0.00 3.58 1.11 -1.26 -1.11 116.67 125.58 2akl s ASP 99 Ca -0.07 0.71 0.00 0.00 0.18 0.00 0.00 52.55 53.37 2akl s ASP 99 Cb -0.19 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.27 2akl s ASP 99 CO -0.06 -2.24 0.00 0.61 1.18 0.00 0.00 175.17 174.66 2akl n GLY 100 N 5.65 3.31 0.22 0.21 0.00 -1.26 -4.93 105.19 108.40 2akl n GLY 100 Ca 0.23 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.10 -5.15 119.36 107.14 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 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.19 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 3.36 0.83 3.86 3.28 0.00 -0.27 -5.04 105.19 111.21 2akl n GLY 102 Ca 0.00 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 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 3.48 0.16 4.61 0.00 -1.26 -0.00 121.76 127.74 2akl s ALA 103 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 2akl s ALA 103 Cb 0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 2akl s ALA 103 CO 0.00 0.44 0.25 1.41 0.00 0.00 0.00 175.76 177.86 2akl s MET 104 N -2.78 1.11 -0.06 0.00 0.00 0.26 -4.91 119.30 112.92 2akl s MET 104 Ca 0.49 -1.20 0.03 0.00 0.00 0.00 0.00 55.69 55.00 2akl s MET 104 Cb -0.11 0.36 -0.02 0.00 0.00 0.00 0.00 34.83 35.05 2akl s MET 104 CO 0.20 -0.39 -0.14 -1.59 0.00 0.00 0.00 175.02 173.09 2akl s LYS 105 N -3.98 2.63 0.01 4.11 -2.85 -1.26 -1.75 119.74 116.64 2akl s LYS 105 Ca 0.18 -0.69 0.08 0.00 -1.00 0.00 0.00 55.97 54.54 2akl s LYS 105 Cb 0.04 -2.42 -0.02 0.00 -2.06 0.00 0.00 37.83 33.37 2akl s LYS 105 CO -0.00 0.57 -0.24 -0.51 0.10 0.00 0.00 175.35 175.26 2akl s LEU 106 N -0.59 2.20 -0.13 2.77 1.43 -0.59 -4.96 118.68 118.82 2akl s LEU 106 Ca 0.08 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 2akl s LEU 106 Cb -0.11 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 2akl s LEU 106 CO 0.01 0.29 0.98 -0.54 0.23 0.00 0.00 176.35 177.33 2akl s LYS 107 N -0.93 4.39 0.27 1.70 -0.14 -1.26 -2.58 119.74 121.19 2akl s LYS 107 Ca 0.11 1.33 0.00 0.00 -1.36 0.00 0.00 55.97 56.06 2akl s LYS 107 Cb -0.10 -3.55 0.61 0.00 -1.68 0.00 0.00 37.83 33.11 2akl s LYS 107 CO 0.01 -0.34 1.70 1.03 -0.76 0.00 0.00 175.35 176.99 2akl h SER 108 N 7.16 0.25 0.00 2.83 0.87 -1.80 0.84 113.55 123.70 2akl h SER 108 Ca -0.30 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2akl h SER 108 Cb 1.14 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2akl h SER 108 CO 0.86 0.02 0.00 -1.84 -0.53 0.00 0.00 176.83 175.34 2akl n GLU 109 N -5.06 0.74 -0.00 2.24 0.00 -1.26 -0.99 120.64 116.31 2akl n GLU 109 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.35 2akl n GLU 109 Cb 0.56 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.52 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 -0.98 0.00 -4.18 -1.84 3.72 0.27 -4.51 117.46 109.95 2akl n PHE 110 Ca 0.17 -0.13 -0.26 0.00 -0.05 0.00 0.00 57.45 57.17 2akl n PHE 110 Cb 0.08 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 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 -0.28 2.00 -0.14 -4.37 -7.23 -0.99 -1.56 120.40 107.83 2akl s VAL 111 Ca 0.00 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 2akl s VAL 111 Cb 0.00 -2.71 0.04 0.00 0.56 0.00 0.00 36.38 34.27 2akl s VAL 111 CO 0.00 0.00 0.35 -0.60 -0.31 0.00 0.00 175.10 174.55 2akl s ARG 112 N -3.97 0.40 -0.14 4.82 3.52 0.24 -0.84 118.95 122.97 2akl s ARG 112 Ca 0.34 0.53 -0.29 0.00 -0.13 0.00 0.00 55.73 56.18 2akl s ARG 112 Cb 0.02 0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.54 2akl s ARG 112 CO 0.19 -0.07 1.32 0.21 -0.81 0.00 0.00 175.30 176.14 2akl s LYS 113 N 0.41 4.23 -0.10 5.12 2.20 -1.26 0.21 119.74 130.55 2akl s LYS 113 Ca -0.02 1.74 -0.23 0.00 -0.36 0.00 0.00 55.97 57.11 2akl s LYS 113 Cb -0.04 -3.78 -0.28 0.00 -1.51 0.00 0.00 37.83 32.23 2akl s LYS 113 CO -0.02 -0.71 0.72 0.28 -0.36 0.00 0.00 175.35 175.27 2akl h VAL 114 N 5.46 1.45 0.00 4.02 2.07 -1.51 -3.47 116.25 124.27 2akl h VAL 114 Ca -0.29 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 64.81 2akl h VAL 114 Cb 1.12 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.96 2akl h VAL 114 CO 0.96 0.64 0.00 0.61 0.02 0.00 0.00 177.57 179.80 2akl n GLY 115 N 1.64 0.55 0.00 2.17 0.00 -1.20 -5.02 105.19 103.33 2akl n GLY 115 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76