#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 2.65 -1.18 1.12 0.11 -1.26 -4.91 120.40 116.94 2akl s VAL 2 Ca 0.00 0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2akl s VAL 2 Cb 0.00 -3.21 0.22 0.00 -1.53 0.00 0.00 36.38 31.86 2akl s VAL 2 CO 0.00 0.01 2.08 -1.20 -3.33 0.00 0.00 175.10 172.66 2akl n SER 3 N 4.79 7.59 -0.45 3.54 7.64 -1.26 -4.41 113.62 131.05 2akl n SER 3 Ca 0.15 -3.40 0.07 0.00 1.01 0.00 0.00 58.87 56.70 2akl n SER 3 Cb 0.39 -1.27 0.03 0.00 -1.01 0.00 0.00 64.21 62.35 2akl n SER 3 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2akl n THR 4 N 0.94 0.00 -4.16 0.44 -2.24 -1.26 -4.96 114.28 103.03 2akl n THR 4 Ca 0.53 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 61.56 2akl n THR 4 Cb 0.26 1.24 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.46 3.56 0.77 3.22 1.43 -1.26 -5.12 118.68 119.82 2akl s LEU 5 Ca 0.14 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 2akl s LEU 5 Cb 0.11 -2.20 0.06 0.00 0.03 0.00 0.00 46.19 44.19 2akl s LEU 5 CO 0.24 0.21 1.08 -2.16 0.23 0.00 0.00 176.35 175.96 2akl s PRO 6 N -2.07 2.27 0.37 1.29 0.04 -1.26 -5.04 135.00 130.61 2akl s PRO 6 Ca 0.24 1.04 -0.06 0.00 0.04 0.00 0.00 61.00 62.27 2akl s PRO 6 Cb -0.12 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.61 2akl s PRO 6 CO 0.16 -1.59 0.29 -2.30 0.04 0.00 0.00 177.00 173.60 2akl n PRO 7 N -3.47 -2.04 -3.57 0.56 -0.02 -1.26 -4.67 135.00 120.53 2akl n PRO 7 Ca 0.08 -0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 60.72 2akl n PRO 7 Cb 0.54 -0.49 -0.09 0.00 -0.02 0.00 0.00 33.50 33.44 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 4.23 0.47 0.00 0.00 -0.04 -1.26 0.38 135.00 138.77 2akl n PRO 9 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2akl n PRO 9 Cb 0.52 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.43 2.61 -0.03 0.54 6.02 -1.26 -4.90 117.38 119.94 2akl n GLN 10 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2akl n GLN 10 Cb 0.01 -0.87 -0.02 0.00 1.02 0.00 0.00 30.24 30.38 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 -2.66 0.00 0.00 0.00 5.15 0.16 -4.87 115.26 113.04 2akl n ASN 12 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 2akl n ASN 12 Cb 0.60 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 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 0.54 0.00 0.00 1.20 7.64 -1.26 -4.47 113.62 117.27 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 -1.30 0.00 -0.96 1.43 0.28 -1.26 -4.96 120.64 113.86 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 0.19 0.00 1.43 0.00 0.00 31.44 33.06 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 2.38 -4.01 -1.84 4.01 -1.26 -4.89 117.16 111.55 2akl n TYR 15 Ca 0.00 -1.40 -0.36 0.00 -0.16 0.00 0.00 57.90 55.98 2akl n TYR 15 Cb 0.00 -0.75 -0.07 0.00 -0.31 0.00 0.00 39.34 38.22 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 -2.69 5.17 0.31 -0.72 2.01 -1.26 -3.56 115.64 114.89 2akl s THR 16 Ca 0.47 -0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.42 2akl s THR 16 Cb 0.39 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 2akl s THR 16 CO 0.10 0.55 0.44 -0.72 -0.69 0.00 0.00 174.62 174.30 2akl s TYR 17 N -1.06 0.92 -0.21 4.92 1.13 -1.11 -4.99 117.35 116.95 2akl s TYR 17 Ca 0.17 -1.18 -0.04 0.00 -1.41 0.00 0.00 57.07 54.61 2akl s TYR 17 Cb -0.12 -0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.66 2akl s TYR 17 CO 0.07 -1.06 -0.03 -1.83 -2.51 0.00 0.00 175.55 170.18 2akl s GLU 18 N -3.36 3.43 -0.81 -3.49 -1.05 -1.26 -1.12 118.70 111.04 2akl s GLU 18 Ca 0.30 -0.60 0.02 0.00 -0.15 0.00 0.00 54.97 54.53 2akl s GLU 18 Cb 0.00 -3.01 0.24 0.00 -0.44 0.00 0.00 34.13 30.91 2akl s GLU 18 CO 0.17 -0.14 0.84 -3.47 0.95 0.00 0.00 175.26 173.61 2akl n ASP 19 N 4.63 4.23 0.00 0.83 2.03 -1.12 -4.96 116.55 122.19 2akl n ASP 19 Ca -0.18 -3.29 0.00 0.00 0.52 0.00 0.00 54.79 51.84 2akl n ASP 19 Cb 0.51 -0.92 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 1.62 0.94 1.08 0.27 0.00 -1.26 -4.33 105.19 103.50 2akl n GLY 20 Ca 0.25 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 2.07 3.21 -3.34 4.61 0.00 -1.26 -4.99 120.51 120.81 2akl n ALA 21 Ca 0.00 -2.28 -0.00 0.00 0.00 0.00 0.00 53.44 51.15 2akl n ALA 21 Cb 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.36 0.00 -4.58 0.00 -0.00 -1.26 -5.02 117.00 105.78 2akl n LEU 22 Ca 0.23 -1.06 -0.34 0.00 -0.00 0.00 0.00 56.01 54.84 2akl n LEU 22 Cb 0.96 1.59 -0.11 0.00 -0.00 0.00 0.00 43.42 45.86 2akl n LEU 22 CO 0.19 -0.35 -0.35 -0.76 -0.00 0.00 0.00 177.39 176.11 2akl s LEU 23 N 0.00 3.30 -0.08 1.47 1.43 -0.24 -2.81 118.68 121.75 2akl s LEU 23 Ca 0.07 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2akl s LEU 23 Cb -0.02 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2akl s LEU 23 CO 0.05 0.30 -0.21 -0.69 0.23 0.00 0.00 176.35 176.03 2akl s VAL 24 N -0.43 1.83 -0.41 -1.59 1.01 -0.27 -0.31 120.40 120.22 2akl s VAL 24 Ca 0.07 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 2akl s VAL 24 Cb -0.12 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.71 2akl s VAL 24 CO 0.02 0.51 0.29 0.00 0.00 0.00 0.00 175.10 175.93 2akl n PRO 26 N 5.12 0.09 0.00 0.00 -0.04 -1.23 -2.17 135.00 136.77 2akl n PRO 26 Ca -0.11 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2akl n PRO 26 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2akl n PRO 26 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2akl n GLU 27 N -1.42 0.00 -0.21 0.54 4.07 -1.26 -4.27 120.64 118.09 2akl n GLU 27 Ca 0.06 0.48 0.06 0.00 -0.06 0.00 0.00 57.16 57.69 2akl n GLU 27 Cb 0.18 -1.08 0.17 0.00 -0.06 0.00 0.00 31.44 30.65 2akl n GLU 27 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2akl n ALA 29 N 0.59 -1.40 -3.73 0.00 0.00 -0.92 -4.99 120.51 110.06 2akl n ALA 29 Ca 0.13 0.30 -0.17 0.00 0.00 0.00 0.00 53.44 53.70 2akl n ALA 29 Cb 0.34 -4.89 -0.16 0.00 0.00 0.00 0.00 19.45 14.74 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 -3.33 0.20 0.43 0.00 5.04 -1.18 -5.03 115.29 111.41 2akl s HIS 30 Ca 0.53 0.07 -0.02 0.00 -1.54 0.00 0.00 55.06 54.10 2akl s HIS 30 Cb -0.24 -0.37 -0.02 0.00 0.04 0.00 0.00 32.58 31.98 2akl s HIS 30 CO 0.75 -0.13 0.68 -1.21 -2.34 0.00 0.00 174.74 172.50 2akl s GLU 31 N 1.20 3.37 0.05 2.88 8.01 -1.26 -2.41 118.70 130.54 2akl s GLU 31 Ca -0.07 -0.16 -0.27 0.00 0.01 0.00 0.00 54.97 54.47 2akl s GLU 31 Cb -0.13 -2.51 0.09 0.00 -4.31 0.00 0.00 34.13 27.27 2akl s GLU 31 CO -0.02 -0.13 0.85 1.67 0.01 0.00 0.00 175.26 177.64 2akl s TRP 32 N -2.56 -0.34 -0.06 1.61 1.48 0.58 -4.95 118.94 114.69 2akl s TRP 32 Ca 0.45 0.17 0.04 0.00 -1.06 0.00 0.00 56.10 55.70 2akl s TRP 32 Cb -0.10 0.56 -0.02 0.00 -1.16 0.00 0.00 33.47 32.75 2akl s TRP 32 CO 0.40 -0.64 -0.16 0.45 -4.06 0.00 0.00 176.95 172.94 2akl s SER 33 N -2.59 3.86 0.45 -2.66 0.15 -1.26 -1.08 113.70 110.56 2akl s SER 33 Ca 0.05 -0.27 0.15 0.00 0.70 0.00 0.00 55.95 56.58 2akl s SER 33 Cb -0.01 -0.93 1.07 0.00 -1.71 0.00 0.00 66.02 64.44 2akl s SER 33 CO -0.08 0.30 1.99 1.55 1.20 0.00 0.00 173.24 178.21 2akl h PRO 34 N 5.65 0.34 0.00 5.44 0.13 -1.97 -3.26 132.00 138.33 2akl h PRO 34 Ca -0.41 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2akl h PRO 34 Cb 1.16 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2akl h PRO 34 CO 0.51 0.23 -0.15 -1.71 -0.23 0.00 0.00 178.00 176.64 2akl n ASN 35 N -4.46 0.28 -0.35 1.44 5.15 -1.26 -4.86 115.26 111.20 2akl n ASN 35 Ca 0.09 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.19 2akl n ASN 35 Cb 0.37 0.00 0.31 0.00 -0.53 0.00 0.00 39.78 39.94 2akl n ASN 35 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2akl h GLU 36 N 0.00 0.77 0.00 1.20 4.22 -1.91 -0.23 114.58 118.64 2akl h GLU 36 Ca 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.36 2akl h GLU 36 Cb 0.15 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2akl h GLU 36 CO 0.00 0.51 -0.14 0.00 -2.18 0.00 0.00 179.01 177.20 2akl h ALA 37 N 1.62 1.35 -0.00 2.92 0.00 -1.84 0.24 119.26 123.56 2akl h ALA 37 Ca 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2akl h ALA 37 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2akl h ALA 37 CO -0.34 0.18 -0.05 0.00 0.00 0.00 0.00 179.25 179.04 2akl n ALA 38 N -2.33 2.46 0.01 0.00 0.00 -0.10 -4.37 120.51 116.18 2akl n ALA 38 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 2akl n ALA 38 Cb 0.25 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 2akl n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2akl n THR 39 N -1.48 0.52 -3.44 0.00 -1.04 -0.44 -5.12 114.28 103.29 2akl n THR 39 Ca 0.07 0.20 0.02 0.00 -2.04 0.00 0.00 64.05 62.31 2akl n THR 39 Cb 0.33 -1.35 -0.05 0.00 -1.82 0.00 0.00 70.33 67.44 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 -2.18 -2.86 -0.72 2.41 0.00 0.72 -5.10 121.76 114.03 2akl s ALA 40 Ca -0.02 1.95 -0.26 0.00 0.00 0.00 0.00 51.96 53.63 2akl s ALA 40 Cb 0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 2akl s ALA 40 CO 0.03 -0.66 1.76 -1.12 0.00 0.00 0.00 175.76 175.77 2akl s SER 41 N 1.67 5.47 0.28 0.00 0.01 -1.25 -4.70 113.70 115.17 2akl s SER 41 Ca -0.04 -0.13 -0.06 0.00 1.31 0.00 0.00 55.95 57.03 2akl s SER 41 Cb -0.02 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2akl s SER 41 CO -0.14 -2.32 0.41 -0.62 0.41 0.00 0.00 173.24 170.98 2akl s ASP 42 N 7.18 0.38 0.41 2.44 2.15 -1.26 -5.03 116.67 122.94 2akl s ASP 42 Ca 0.61 -1.25 0.22 0.00 0.43 0.00 0.00 52.55 52.56 2akl s ASP 42 Cb -0.10 0.58 0.72 0.00 -0.30 0.00 0.00 42.92 43.82 2akl s ASP 42 CO 0.13 -1.15 1.74 0.44 -0.17 0.00 0.00 175.17 176.16 2akl h ASP 43 N 2.27 0.00 0.00 -0.34 5.19 -1.90 -3.46 116.42 118.17 2akl h ASP 43 Ca -0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 2akl h ASP 43 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2akl h ASP 43 CO 0.40 0.27 0.00 0.61 -3.12 0.00 0.00 179.24 177.40 2akl n GLY 44 N 0.41 0.96 0.21 2.75 0.00 -1.26 -4.81 105.19 103.45 2akl n GLY 44 Ca 0.01 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.60 2akl n GLY 44 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2akl n LYS 45 N -1.66 1.27 -3.21 1.61 2.85 -0.98 -1.39 118.16 116.66 2akl n LYS 45 Ca 0.00 -0.42 -0.45 0.00 -1.05 0.00 0.00 58.31 56.40 2akl n LYS 45 Cb 0.14 -1.25 -0.06 0.00 -0.65 0.00 0.00 35.03 33.22 2akl n LYS 45 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2akl s VAL 46 N -1.89 4.97 0.22 0.58 1.01 -1.26 -4.23 120.40 119.80 2akl s VAL 46 Ca 0.22 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 2akl s VAL 46 Cb 0.11 -4.34 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 2akl s VAL 46 CO 0.17 -0.89 1.08 -0.63 0.00 0.00 0.00 175.10 174.83 2akl s ILE 47 N 2.30 3.75 0.23 2.22 -1.09 -1.26 -4.81 121.20 122.54 2akl s ILE 47 Ca 0.10 1.62 0.11 0.00 -2.23 0.00 0.00 60.65 60.25 2akl s ILE 47 Cb -0.24 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 2akl s ILE 47 CO 0.07 0.33 -0.20 -0.54 -1.23 0.00 0.00 174.94 173.37 2akl s LYS 48 N -0.86 1.66 0.60 2.79 1.02 -1.26 -2.16 119.74 121.52 2akl s LYS 48 Ca 0.47 -1.59 0.05 0.00 0.02 0.00 0.00 55.97 54.92 2akl s LYS 48 Cb -0.30 -1.86 0.11 0.00 -0.52 0.00 0.00 37.83 35.26 2akl s LYS 48 CO 0.37 0.38 0.82 -0.25 -0.92 0.00 0.00 175.35 175.75 2akl n ASP 49 N -0.13 1.68 -0.00 2.83 8.00 0.05 -4.50 116.55 124.47 2akl n ASP 49 Ca -0.09 -2.28 0.15 0.00 0.71 0.00 0.00 54.79 53.27 2akl n ASP 49 Cb 0.58 -0.48 0.73 0.00 -0.02 0.00 0.00 41.12 41.92 2akl n ASP 49 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2akl n SER 50 N -2.60 0.01 0.07 -2.24 2.88 -0.80 -2.65 113.62 108.30 2akl n SER 50 Ca 0.15 -0.03 0.12 0.00 -1.33 0.00 0.00 58.87 57.78 2akl n SER 50 Cb 0.55 -0.32 0.05 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.32 0.41 -0.09 2.46 0.31 -1.26 -4.94 118.33 113.89 2akl n VAL 51 Ca 0.13 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2akl n VAL 51 Cb 0.26 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 1.28 0.67 3.92 2.92 0.00 -1.08 -5.07 105.19 107.82 2akl n GLY 52 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 5.13 -0.04 1.61 0.01 -1.26 -4.78 114.94 112.92 2akl s ASN 53 Ca 0.00 0.68 0.06 0.00 -0.71 0.00 0.00 52.86 52.88 2akl s ASN 53 Cb 0.00 -1.45 -0.02 0.00 0.41 0.00 0.00 41.25 40.19 2akl s ASN 53 CO 0.00 -1.42 -0.20 -0.69 -1.51 0.00 0.00 177.10 173.28 2akl s VAL 54 N -3.21 2.56 0.55 1.60 1.01 -1.26 -0.77 120.40 120.88 2akl s VAL 54 Ca 0.58 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2akl s VAL 54 Cb -0.11 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.38 2akl s VAL 54 CO 0.46 0.58 0.76 -0.76 0.00 0.00 0.00 175.10 176.15 2akl s LEU 55 N -0.60 3.27 0.05 3.92 2.01 -0.92 -5.00 118.68 121.41 2akl s LEU 55 Ca 0.09 -0.50 0.07 0.00 0.01 0.00 0.00 54.13 53.80 2akl s LEU 55 Cb -0.11 -2.20 -0.03 0.00 0.01 0.00 0.00 46.19 43.87 2akl s LEU 55 CO 0.00 -1.24 -0.20 -1.58 1.01 0.00 0.00 176.35 174.34 2akl s GLN 56 N -4.68 1.31 -0.60 1.70 2.00 -1.26 -4.81 119.66 113.31 2akl s GLN 56 Ca 0.60 -0.95 -0.26 0.00 -2.00 0.00 0.00 55.36 52.74 2akl s GLN 56 Cb -0.08 -1.43 -0.03 0.00 0.80 0.00 0.00 33.01 32.27 2akl s GLN 56 CO 0.38 0.36 1.98 0.34 -0.50 0.00 0.00 175.29 177.85 2akl s ASP 57 N -1.27 5.08 0.00 6.67 2.15 -1.26 -0.69 116.67 127.34 2akl s ASP 57 Ca 0.07 0.44 0.00 0.00 0.43 0.00 0.00 52.55 53.49 2akl s ASP 57 Cb -0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 2akl s ASP 57 CO 0.02 -2.51 0.00 0.61 -0.17 0.00 0.00 175.17 173.12 2akl n GLY 58 N 5.82 1.19 3.66 2.66 0.00 -1.02 -4.91 105.19 112.60 2akl n GLY 58 Ca 0.25 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 -1.25 1.78 -0.12 1.61 -1.08 0.13 -2.54 116.67 115.19 2akl s ASP 59 Ca 0.00 0.77 -0.03 0.00 -0.52 0.00 0.00 52.55 52.77 2akl s ASP 59 Cb 0.00 -1.14 -0.03 0.00 -1.46 0.00 0.00 42.92 40.29 2akl s ASP 59 CO 0.00 -3.61 0.00 -0.89 0.52 0.00 0.00 175.17 171.19 2akl s THR 60 N -3.10 4.29 0.32 1.71 2.01 -1.26 -0.10 115.64 119.50 2akl s THR 60 Ca 0.69 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.52 2akl s THR 60 Cb -0.12 -2.85 -0.06 0.00 0.01 0.00 0.00 72.50 69.48 2akl s THR 60 CO 0.56 0.55 -0.02 0.27 -0.69 0.00 0.00 174.62 175.28 2akl s ILE 61 N -0.30 1.66 -0.18 1.82 -5.25 0.15 -1.75 121.20 117.35 2akl s ILE 61 Ca 0.06 -2.08 -0.06 0.00 -0.99 0.00 0.00 60.65 57.58 2akl s ILE 61 Cb -0.12 -2.65 0.09 0.00 2.95 0.00 0.00 42.46 42.73 2akl s ILE 61 CO 0.02 -0.17 0.37 -0.89 -1.79 0.00 0.00 174.94 172.48 2akl s THR 62 N -2.98 -0.58 0.11 8.37 2.01 0.15 -1.73 115.64 120.99 2akl s THR 62 Ca 0.32 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.19 2akl s THR 62 Cb 0.06 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.86 2akl s THR 62 CO 0.14 0.07 1.66 0.54 -0.69 0.00 0.00 174.62 176.34 2akl s VAL 63 N 2.55 2.79 -0.28 3.82 0.11 -1.15 0.22 120.40 128.45 2akl s VAL 63 Ca 0.00 0.38 0.12 0.00 -2.93 0.00 0.00 61.98 59.55 2akl s VAL 63 Cb -0.12 -3.24 0.76 0.00 -1.53 0.00 0.00 36.38 32.25 2akl s VAL 63 CO -0.12 0.01 1.76 2.30 -3.33 0.00 0.00 175.10 175.72 2akl n ILE 64 N 4.49 2.84 -3.98 7.04 -0.00 0.72 0.19 119.36 130.67 2akl n ILE 64 Ca 0.16 -1.59 -0.08 0.00 -0.00 0.00 0.00 62.75 61.23 2akl n ILE 64 Cb 0.39 -0.32 -0.09 0.00 -0.00 0.00 0.00 39.64 39.62 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 -2.91 0.71 -0.68 6.28 3.01 -1.25 -4.78 119.74 120.11 2akl s LYS 65 Ca 0.54 -1.07 -0.25 0.00 -1.01 0.00 0.00 55.97 54.19 2akl s LYS 65 Cb 0.43 0.27 0.05 0.00 -1.01 0.00 0.00 37.83 37.57 2akl s LYS 65 CO 0.14 -0.18 1.10 0.16 0.51 0.00 0.00 175.35 177.08 2akl s ASP 66 N -2.82 6.19 0.16 2.83 -4.77 -1.26 -2.56 116.67 114.43 2akl s ASP 66 Ca 0.05 -0.70 0.07 0.00 -3.30 0.00 0.00 52.55 48.67 2akl s ASP 66 Cb 0.06 -2.48 -0.04 0.00 -1.09 0.00 0.00 42.92 39.37 2akl s ASP 66 CO -0.10 -1.59 -0.01 -0.76 0.70 0.00 0.00 175.17 173.41 2akl s LEU 67 N 4.76 3.32 0.61 2.11 1.02 0.26 -4.99 118.68 125.78 2akl s LEU 67 Ca 0.28 -0.36 0.08 0.00 0.02 0.00 0.00 54.13 54.15 2akl s LEU 67 Cb -0.13 -1.99 0.10 0.00 0.02 0.00 0.00 46.19 44.19 2akl s LEU 67 CO 0.13 0.11 0.85 -1.59 0.02 0.00 0.00 176.35 175.86 2akl s LYS 68 N -2.81 2.15 0.09 1.70 -2.85 -1.26 0.53 119.74 117.28 2akl s LYS 68 Ca 0.27 -1.61 0.10 0.00 -1.00 0.00 0.00 55.97 53.73 2akl s LYS 68 Cb -0.10 -2.59 -0.03 0.00 -2.06 0.00 0.00 37.83 33.05 2akl s LYS 68 CO 0.18 -1.02 -0.26 0.14 0.10 0.00 0.00 175.35 174.50 2akl s VAL 69 N -2.77 2.27 0.00 1.79 -7.23 -1.26 -4.52 120.40 108.68 2akl s VAL 69 Ca 0.63 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 2akl s VAL 69 Cb -0.05 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.94 2akl s VAL 69 CO 0.40 0.23 0.07 2.29 -0.31 0.00 0.00 175.10 177.78 2akl n LYS 70 N 1.32 0.00 -1.44 4.82 2.85 -1.26 -4.53 118.16 119.92 2akl n LYS 70 Ca -0.17 0.16 -0.27 0.00 -1.05 0.00 0.00 58.31 56.97 2akl n LYS 70 Cb 0.52 -0.71 -0.02 0.00 -0.65 0.00 0.00 35.03 34.17 2akl n LYS 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2akl n GLY 71 N 2.02 4.52 3.38 2.58 0.00 -1.26 -4.87 105.19 111.56 2akl n GLY 71 Ca 0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 2akl n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2akl s SER 72 N 0.05 0.98 0.00 1.61 0.01 -1.26 -5.00 113.70 110.08 2akl s SER 72 Ca 0.54 -1.52 0.18 0.00 1.31 0.00 0.00 55.95 56.45 2akl s SER 72 Cb 0.38 0.58 0.37 0.00 0.21 0.00 0.00 66.02 67.55 2akl s SER 72 CO -0.20 -1.13 1.29 -1.20 0.41 0.00 0.00 173.24 172.40 2akl n SER 73 N -1.20 3.15 -4.19 2.44 7.64 -1.26 -4.93 113.62 115.26 2akl n SER 73 Ca 0.03 -1.91 -0.30 0.00 1.01 0.00 0.00 58.87 57.70 2akl n SER 73 Cb 0.63 -0.24 0.18 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.18 2.30 -0.30 -3.43 2.01 -1.26 -5.06 118.68 111.76 2akl s LEU 74 Ca 0.32 0.43 -0.04 0.00 0.01 0.00 0.00 54.13 54.84 2akl s LEU 74 Cb 0.18 -2.48 0.17 0.00 0.01 0.00 0.00 46.19 44.07 2akl s LEU 74 CO 0.24 -2.88 0.62 -0.69 1.01 0.00 0.00 176.35 174.65 2akl s VAL 75 N -3.67 -1.00 -0.85 -1.59 1.01 -1.26 -3.98 120.40 109.05 2akl s VAL 75 Ca 0.72 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 2akl s VAL 75 Cb -0.06 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.40 2akl s VAL 75 CO 0.53 0.00 1.18 -0.69 0.00 0.00 0.00 175.10 176.12 2akl s VAL 76 N 2.87 4.30 0.05 2.92 1.01 0.19 -4.97 120.40 126.77 2akl s VAL 76 Ca 0.12 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2akl s VAL 76 Cb -0.14 -4.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.36 2akl s VAL 76 CO -0.20 -1.64 0.05 -1.59 0.00 0.00 0.00 175.10 171.71 2akl s LYS 77 N 3.99 2.82 -0.82 2.72 0.00 -1.26 0.93 119.74 128.12 2akl s LYS 77 Ca 0.33 -0.67 -0.26 0.00 0.00 0.00 0.00 55.97 55.37 2akl s LYS 77 Cb -0.07 -2.70 -0.18 0.00 0.00 0.00 0.00 37.83 34.88 2akl s LYS 77 CO -0.01 0.59 2.51 1.55 0.00 0.00 0.00 175.35 179.98 2akl n VAL 78 N 0.79 -0.03 0.00 1.79 3.14 -1.06 -0.29 118.33 122.68 2akl n VAL 78 Ca -0.11 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 2akl n VAL 78 Cb 0.52 -1.31 0.00 0.00 -1.06 0.00 0.00 33.84 31.99 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 0.13 3.57 7.55 0.00 0.13 -4.93 105.19 117.87 2akl n GLY 79 Ca 0.55 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 -0.94 3.17 -0.43 2.61 2.01 0.61 -4.85 115.64 117.82 2akl s THR 80 Ca 0.00 0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.93 2akl s THR 80 Cb 0.00 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.17 2akl s THR 80 CO 0.00 -0.31 0.61 -0.75 -0.69 0.00 0.00 174.62 173.48 2akl s LYS 81 N 7.23 3.29 -0.15 4.92 2.20 -1.26 -2.92 119.74 133.04 2akl s LYS 81 Ca 0.87 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 2akl s LYS 81 Cb -0.19 -3.94 0.03 0.00 -1.51 0.00 0.00 37.83 32.22 2akl s LYS 81 CO 0.27 -0.96 -0.10 0.08 -0.36 0.00 0.00 175.35 174.28 2akl s VAL 82 N 2.71 1.37 0.30 4.02 1.01 -0.70 -4.98 120.40 124.13 2akl s VAL 82 Ca 0.21 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2akl s VAL 82 Cb -0.15 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2akl s VAL 82 CO 0.18 0.31 0.28 -1.59 0.00 0.00 0.00 175.10 174.28 2akl s LYS 83 N 1.55 2.88 -0.80 2.72 -2.85 -1.26 -0.68 119.74 121.29 2akl s LYS 83 Ca 0.03 -1.15 -0.04 0.00 -1.00 0.00 0.00 55.97 53.81 2akl s LYS 83 Cb -0.14 -2.56 0.00 0.00 -2.06 0.00 0.00 37.83 33.07 2akl s LYS 83 CO -0.09 0.22 0.69 -1.71 0.10 0.00 0.00 175.35 174.56 2akl n ASN 84 N -1.33 -3.92 -3.07 0.03 2.85 0.85 -4.65 115.26 106.02 2akl n ASN 84 Ca -0.04 -0.34 -0.15 0.00 -0.11 0.00 0.00 54.58 53.93 2akl n ASN 84 Cb 0.59 -3.28 0.14 0.00 1.24 0.00 0.00 39.78 38.46 2akl n ASN 84 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2akl n ILE 85 N -3.71 0.00 -3.88 -1.44 -5.35 -1.19 -4.54 119.36 99.25 2akl n ILE 85 Ca -0.05 -0.14 -0.22 0.00 -0.27 0.00 0.00 62.75 62.07 2akl n ILE 85 Cb 0.56 -0.85 -0.17 0.00 -1.74 0.00 0.00 39.64 37.43 2akl n ILE 85 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2akl s ARG 86 N -4.18 0.70 -0.21 6.28 6.06 0.23 -2.43 118.95 125.40 2akl s ARG 86 Ca 0.35 0.03 -0.29 0.00 -2.50 0.00 0.00 55.73 53.33 2akl s ARG 86 Cb -0.05 -0.95 -0.01 0.00 0.06 0.00 0.00 34.95 34.01 2akl s ARG 86 CO 0.28 -0.24 1.22 -0.51 -2.50 0.00 0.00 175.30 173.56 2akl s LEU 87 N 1.65 4.10 0.68 -0.88 1.43 -1.26 -1.81 118.68 122.59 2akl s LEU 87 Ca 0.00 1.52 -0.02 0.00 -1.03 0.00 0.00 54.13 54.60 2akl s LEU 87 Cb -0.13 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.64 2akl s LEU 87 CO -0.04 -0.81 0.95 -0.69 0.23 0.00 0.00 176.35 175.99 2akl s VAL 88 N 3.62 2.32 0.17 -1.59 1.01 -1.26 -4.98 120.40 119.69 2akl s VAL 88 Ca 0.53 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2akl s VAL 88 Cb -0.19 -2.82 0.06 0.00 0.00 0.00 0.00 36.38 33.43 2akl s VAL 88 CO 0.15 0.00 1.82 0.44 0.00 0.00 0.00 175.10 177.51 2akl h ASP 89 N -0.43 0.61 -3.36 3.32 5.19 -1.90 -3.39 116.42 116.46 2akl h ASP 89 Ca -0.40 -0.04 -0.56 0.00 -0.62 0.00 0.00 57.03 55.41 2akl h ASP 89 Cb 1.29 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 40.59 2akl h ASP 89 CO 0.48 0.46 0.06 -0.83 -3.12 0.00 0.00 179.24 176.29 2akl s GLY 90 N -2.72 2.65 0.48 2.75 0.00 -1.26 -2.31 107.32 106.91 2akl s GLY 90 Ca -0.13 0.12 0.16 0.00 0.00 0.00 0.00 44.72 44.87 2akl s GLY 90 CO 0.75 0.98 2.04 -1.80 0.00 0.00 0.00 173.10 175.07 2akl h ASP 91 N 6.07 0.19 -0.13 1.64 3.58 -1.47 -2.75 116.42 123.54 2akl h ASP 91 Ca -0.43 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.70 2akl h ASP 91 Cb 1.20 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 42.15 2akl h ASP 91 CO 0.72 0.12 0.54 1.41 -2.88 0.00 0.00 179.24 179.15 2akl n HIS 92 N -4.47 0.66 -3.64 0.28 8.25 -1.26 -4.31 115.22 110.73 2akl n HIS 92 Ca 0.05 -1.87 -0.08 0.00 -0.26 0.00 0.00 57.72 55.56 2akl n HIS 92 Cb 0.31 -1.75 -0.07 0.00 1.12 0.00 0.00 29.99 29.60 2akl n HIS 92 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2akl s ASP 93 N 1.84 -0.50 -0.06 0.41 1.01 -1.04 -4.73 116.67 113.60 2akl s ASP 93 Ca 0.67 0.93 -0.03 0.00 0.71 0.00 0.00 52.55 54.83 2akl s ASP 93 Cb 0.30 0.99 0.04 0.00 1.01 0.00 0.00 42.92 45.26 2akl s ASP 93 CO -0.03 -0.16 0.13 -0.63 0.21 0.00 0.00 175.17 174.69 2akl s ILE 94 N 0.46 -0.13 -0.10 0.77 1.01 -0.81 -4.30 121.20 118.10 2akl s ILE 94 Ca 0.01 0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 2akl s ILE 94 Cb -0.05 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 2akl s ILE 94 CO -0.08 0.11 0.04 -0.62 0.00 0.00 0.00 174.94 174.40 2akl s ASP 95 N 1.64 5.55 0.20 3.58 2.15 -0.75 -1.43 116.67 127.61 2akl s ASP 95 Ca -0.04 0.22 -0.17 0.00 0.43 0.00 0.00 52.55 52.99 2akl s ASP 95 Cb -0.12 -1.67 0.02 0.00 -0.30 0.00 0.00 42.92 40.86 2akl s ASP 95 CO -0.05 0.37 0.52 0.00 -0.17 0.00 0.00 175.17 175.83 2akl s LYS 97 N -3.90 3.00 -0.57 0.00 0.00 -1.26 -0.24 119.74 116.77 2akl s LYS 97 Ca 0.11 -0.62 -0.15 0.00 0.00 0.00 0.00 55.97 55.32 2akl s LYS 97 Cb -0.01 -2.60 0.14 0.00 0.00 0.00 0.00 37.83 35.36 2akl s LYS 97 CO -0.01 0.47 0.52 0.42 0.00 0.00 0.00 175.35 176.75 2akl s ILE 98 N -0.30 5.14 -0.46 3.79 -1.09 0.20 -4.77 121.20 123.70 2akl s ILE 98 Ca 0.03 -1.66 -0.31 0.00 -2.23 0.00 0.00 60.65 56.48 2akl s ILE 98 Cb -0.13 -4.29 -0.11 0.00 -1.58 0.00 0.00 42.46 36.36 2akl s ILE 98 CO 0.03 -0.88 2.33 0.47 -1.23 0.00 0.00 174.94 175.66 2akl n ASP 99 N 5.04 2.05 0.00 3.58 9.92 -1.26 -1.58 116.55 134.31 2akl n ASP 99 Ca -0.10 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2akl n ASP 99 Cb 0.41 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 2akl n ASP 99 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2akl n GLY 100 N 6.31 3.06 0.13 0.44 0.00 -1.26 -4.91 105.19 108.96 2akl n GLY 100 Ca 0.42 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 1.59 -1.01 -0.61 -5.35 -0.86 -5.12 119.36 108.00 2akl n ILE 101 Ca 0.00 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 2akl n ILE 101 Cb 0.00 -1.65 0.00 0.00 -1.74 0.00 0.00 39.64 36.25 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 1.94 0.48 3.85 3.28 0.00 -0.61 -5.04 105.19 109.09 2akl n GLY 102 Ca -0.42 -1.72 -0.33 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 3.45 0.05 4.61 0.00 -1.26 0.60 121.76 128.21 2akl s ALA 103 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 2akl s ALA 103 Cb 0.00 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2akl s ALA 103 CO 0.00 0.40 -0.03 1.41 0.00 0.00 0.00 175.76 177.54 2akl s MET 104 N -2.62 0.57 -0.05 0.00 0.00 0.66 -4.83 119.30 113.04 2akl s MET 104 Ca 0.48 -1.13 0.05 0.00 0.00 0.00 0.00 55.69 55.09 2akl s MET 104 Cb -0.12 0.20 -0.02 0.00 0.00 0.00 0.00 34.83 34.88 2akl s MET 104 CO 0.19 -0.10 -0.20 0.15 0.00 0.00 0.00 175.02 175.06 2akl s LYS 105 N -3.58 2.46 0.08 4.11 1.02 -1.26 -1.28 119.74 121.29 2akl s LYS 105 Ca 0.04 -0.81 0.08 0.00 0.02 0.00 0.00 55.97 55.30 2akl s LYS 105 Cb 0.05 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2akl s LYS 105 CO -0.09 0.53 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.14 2akl s LEU 106 N -0.51 2.25 -0.20 3.17 1.43 -0.51 -4.96 118.68 119.35 2akl s LEU 106 Ca 0.07 -0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 2akl s LEU 106 Cb -0.11 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 2akl s LEU 106 CO 0.01 0.12 0.82 -0.75 0.23 0.00 0.00 176.35 176.78 2akl s LYS 107 N -1.63 4.25 0.31 1.70 2.47 -1.26 -1.92 119.74 123.65 2akl s LYS 107 Ca 0.08 0.97 0.07 0.00 -1.56 0.00 0.00 55.97 55.53 2akl s LYS 107 Cb -0.10 -3.60 0.77 0.00 -1.46 0.00 0.00 37.83 33.45 2akl s LYS 107 CO 0.03 -0.39 1.77 0.77 0.16 0.00 0.00 175.35 177.70 2akl h SER 108 N 7.46 0.76 0.27 1.43 0.02 -1.83 0.14 113.55 121.81 2akl h SER 108 Ca -0.27 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2akl h SER 108 Cb 1.12 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2akl h SER 108 CO 0.85 0.26 0.00 -1.84 -1.14 0.00 0.00 176.83 174.95 2akl n GLU 109 N -4.77 0.03 -0.01 3.45 0.28 -1.26 -1.49 120.64 116.87 2akl n GLU 109 Ca 0.24 0.32 0.06 0.00 -0.16 0.00 0.00 57.16 57.61 2akl n GLU 109 Cb 0.60 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 32.02 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 -1.45 0.03 -4.02 -1.84 3.72 0.49 -4.43 117.46 109.95 2akl n PHE 110 Ca 0.03 -0.03 -0.24 0.00 -0.05 0.00 0.00 57.45 57.15 2akl n PHE 110 Cb 0.10 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.93 2.30 -0.08 -4.37 -7.23 -0.55 -0.20 120.40 109.34 2akl s VAL 111 Ca 0.14 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 58.61 2akl s VAL 111 Cb 0.09 -2.92 0.02 0.00 0.56 0.00 0.00 36.38 34.14 2akl s VAL 111 CO 0.14 0.00 0.21 -0.60 -0.31 0.00 0.00 175.10 174.54 2akl s ARG 112 N -3.97 0.23 -0.10 4.82 3.52 0.13 -1.90 118.95 121.68 2akl s ARG 112 Ca 0.41 0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 56.03 2akl s ARG 112 Cb 0.02 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 2akl s ARG 112 CO 0.23 -0.05 1.58 0.21 -0.81 0.00 0.00 175.30 176.46 2akl s LYS 113 N 0.30 4.12 -0.02 5.12 2.20 -1.26 0.30 119.74 130.51 2akl s LYS 113 Ca -0.02 2.01 -0.23 0.00 -0.36 0.00 0.00 55.97 57.37 2akl s LYS 113 Cb -0.03 -3.96 -0.20 0.00 -1.51 0.00 0.00 37.83 32.13 2akl s LYS 113 CO -0.01 -0.90 1.16 0.28 -0.36 0.00 0.00 175.35 175.52 2akl h VAL 114 N 5.66 1.46 -3.39 4.02 2.07 -1.64 -3.47 116.25 120.96 2akl h VAL 114 Ca -0.36 -1.65 -0.14 0.00 0.82 0.00 0.00 66.70 65.37 2akl h VAL 114 Cb 1.16 2.41 0.07 0.00 -1.52 0.00 0.00 31.29 33.41 2akl h VAL 114 CO 0.96 0.46 -0.30 0.61 0.02 0.00 0.00 177.57 179.32 2akl n GLY 115 N 0.68 0.15 0.00 2.17 0.00 -1.25 -5.08 105.19 101.87 2akl n GLY 115 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2akl n GLY 115 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06