#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 5.15 -1.62 3.17 0.11 -1.26 -4.19 120.40 121.76 2akl s VAL 2 Ca 0.00 1.08 -0.02 0.00 -2.93 0.00 0.00 61.98 60.11 2akl s VAL 2 Cb 0.00 -3.87 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 2akl s VAL 2 CO 0.00 0.31 0.21 -1.20 -3.33 0.00 0.00 175.10 171.09 2akl n SER 3 N 3.67 -5.67 0.08 3.54 7.64 -1.26 -4.87 113.62 116.75 2akl n SER 3 Ca -0.06 -0.09 -0.23 0.00 1.01 0.00 0.00 58.87 59.50 2akl n SER 3 Cb 0.52 -4.68 -0.15 0.00 -1.01 0.00 0.00 64.21 58.88 2akl n SER 3 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2akl h THR 4 N -0.46 0.95 -3.31 0.44 1.35 -2.02 -3.45 112.91 106.40 2akl h THR 4 Ca -0.48 -2.52 -0.55 0.00 -0.55 0.00 0.00 66.41 62.31 2akl h THR 4 Cb 1.35 2.78 -0.03 0.00 -1.73 0.00 0.00 68.15 70.52 2akl h THR 4 CO 0.55 0.86 -0.18 -0.76 -0.25 0.00 0.00 175.52 175.74 2akl s LEU 5 N -7.32 4.19 0.66 3.87 1.43 -1.26 -5.09 118.68 115.15 2akl s LEU 5 Ca -0.16 0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 53.59 2akl s LEU 5 Cb 0.05 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 2akl s LEU 5 CO 0.86 -0.05 1.07 -2.16 0.23 0.00 0.00 176.35 176.30 2akl s PRO 6 N -2.87 2.99 0.00 1.29 0.04 -1.26 -5.07 135.00 130.12 2akl s PRO 6 Ca 0.45 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2akl s PRO 6 Cb -0.11 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2akl s PRO 6 CO 0.24 -1.07 0.00 -2.30 0.04 0.00 0.00 177.00 173.90 2akl n PRO 7 N -2.59 0.42 -3.65 0.56 -0.02 -1.26 -4.85 135.00 123.60 2akl n PRO 7 Ca 0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 2akl n PRO 7 Cb 0.53 0.00 -0.07 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 3.46 0.52 0.00 0.00 -0.04 -1.26 0.12 135.00 137.80 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 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.74 1.83 -0.10 0.54 7.27 -1.26 -4.88 117.38 120.04 2akl n GLN 10 Ca 0.06 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.93 2akl n GLN 10 Cb 0.03 -0.97 -0.08 0.00 2.41 0.00 0.00 30.24 31.63 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 -3.72 0.00 0.00 0.00 2.85 0.12 -4.91 115.26 109.61 2akl n ASN 12 Ca -0.40 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.07 2akl n ASN 12 Cb 0.82 -1.41 0.00 0.00 1.24 0.00 0.00 39.78 40.43 2akl n ASN 12 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 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 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 2akl n SER 13 Cb 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.08 0.00 -0.42 4.33 0.28 -1.26 -5.02 120.64 117.47 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 -4.08 -1.84 4.02 -1.26 -4.81 117.16 109.19 2akl n TYR 15 Ca 0.00 -0.87 -0.34 0.00 -0.01 0.00 0.00 57.90 56.68 2akl n TYR 15 Cb 0.00 -0.46 -0.07 0.00 -0.02 0.00 0.00 39.34 38.79 2akl n TYR 15 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2akl s THR 16 N 0.21 4.92 0.34 -0.72 2.01 -1.26 -3.84 115.64 117.30 2akl s THR 16 Ca 0.00 -0.21 -0.10 0.00 0.31 0.00 0.00 61.69 61.69 2akl s THR 16 Cb 0.00 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.33 2akl s THR 16 CO 0.00 0.45 0.61 -0.72 -0.69 0.00 0.00 174.62 174.27 2akl s TYR 17 N -1.12 0.52 -0.22 4.92 1.13 -1.15 -5.02 117.35 116.41 2akl s TYR 17 Ca 0.20 -0.95 -0.07 0.00 -1.41 0.00 0.00 57.07 54.84 2akl s TYR 17 Cb -0.12 0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 41.06 2akl s TYR 17 CO 0.10 -1.29 0.06 -1.83 -2.51 0.00 0.00 175.55 170.09 2akl s GLU 18 N -2.98 3.74 -0.58 -3.49 -1.05 -1.26 -1.60 118.70 111.48 2akl s GLU 18 Ca 0.22 -0.45 0.04 0.00 -0.15 0.00 0.00 54.97 54.64 2akl s GLU 18 Cb -0.03 -3.26 0.14 0.00 -0.44 0.00 0.00 34.13 30.55 2akl s GLU 18 CO 0.14 -0.03 0.34 0.34 0.95 0.00 0.00 175.26 177.00 2akl s ASP 19 N 1.18 4.38 0.38 0.83 2.15 -1.12 -4.95 116.67 119.52 2akl s ASP 19 Ca 0.04 -3.28 0.00 0.00 0.43 0.00 0.00 52.55 49.74 2akl s ASP 19 Cb -0.14 -1.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 2akl s ASP 19 CO 0.03 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 2akl n GLY 20 N 2.74 1.33 1.22 2.66 0.00 -1.26 -4.08 105.19 107.81 2akl n GLY 20 Ca 0.11 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.39 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 4.36 3.16 -3.31 4.61 0.00 -1.26 -4.97 120.51 123.09 2akl n ALA 21 Ca 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 53.44 51.43 2akl n ALA 21 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.11 0.00 -4.50 0.00 -0.00 -1.26 -5.01 117.00 106.35 2akl n LEU 22 Ca 0.23 -0.95 -0.33 0.00 -0.00 0.00 0.00 56.01 54.95 2akl n LEU 22 Cb 0.93 1.22 -0.13 0.00 -0.00 0.00 0.00 43.42 45.44 2akl n LEU 22 CO 0.20 -0.28 -0.43 -0.76 -0.00 0.00 0.00 177.39 176.12 2akl s LEU 23 N 0.00 2.88 0.02 1.47 1.43 -0.58 -2.81 118.68 121.08 2akl s LEU 23 Ca 0.07 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 2akl s LEU 23 Cb -0.01 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 2akl s LEU 23 CO 0.05 0.32 -0.18 0.68 0.23 0.00 0.00 176.35 177.46 2akl s VAL 24 N -0.58 1.41 -0.43 -1.59 -7.23 -0.63 -0.34 120.40 111.00 2akl s VAL 24 Ca 0.08 -0.94 -0.11 0.00 -1.81 0.00 0.00 61.98 59.20 2akl s VAL 24 Cb -0.11 -1.21 0.07 0.00 0.56 0.00 0.00 36.38 35.69 2akl s VAL 24 CO 0.01 0.25 0.29 0.00 -0.31 0.00 0.00 175.10 175.35 2akl h PRO 26 N 8.51 0.00 0.39 0.00 0.13 -1.87 -1.69 132.00 137.47 2akl h PRO 26 Ca -0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 2akl h PRO 26 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2akl h PRO 26 CO 0.78 0.00 -0.19 1.49 -0.23 0.00 0.00 178.00 179.86 2akl h GLU 27 N 0.00 -0.50 -0.68 0.86 4.81 -1.92 -3.34 114.58 113.81 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 0.23 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2akl h GLU 27 CO 0.00 -0.33 0.00 0.00 -0.73 0.00 0.00 179.01 177.95 2akl n ALA 29 N 1.29 -0.55 -3.30 0.00 0.00 -0.64 -4.99 120.51 112.33 2akl n ALA 29 Ca 0.24 0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 2akl n ALA 29 Cb 0.75 -2.04 -0.16 0.00 0.00 0.00 0.00 19.45 18.01 2akl n ALA 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2akl s HIS 30 N -2.94 0.54 0.55 0.00 5.04 -1.16 -5.00 115.29 112.31 2akl s HIS 30 Ca 0.00 -0.11 0.03 0.00 -1.54 0.00 0.00 55.06 53.44 2akl s HIS 30 Cb 0.00 -0.46 0.04 0.00 0.04 0.00 0.00 32.58 32.20 2akl s HIS 30 CO 0.00 -0.10 0.76 -1.21 -2.34 0.00 0.00 174.74 171.85 2akl s GLU 31 N 0.51 2.47 0.04 2.88 8.01 -1.26 -2.12 118.70 129.23 2akl s GLU 31 Ca -0.06 -1.00 -0.27 0.00 0.01 0.00 0.00 54.97 53.65 2akl s GLU 31 Cb -0.09 -2.54 0.09 0.00 -4.31 0.00 0.00 34.13 27.28 2akl s GLU 31 CO -0.00 -0.72 0.87 1.67 0.01 0.00 0.00 175.26 177.08 2akl s TRP 32 N -2.71 -0.33 -0.26 1.61 1.48 0.54 -4.93 118.94 114.33 2akl s TRP 32 Ca 0.58 0.15 -0.01 0.00 -1.06 0.00 0.00 56.10 55.76 2akl s TRP 32 Cb -0.09 0.56 0.03 0.00 -1.16 0.00 0.00 33.47 32.81 2akl s TRP 32 CO 0.38 -0.63 -0.06 0.45 -4.06 0.00 0.00 176.95 173.03 2akl s SER 33 N -2.59 4.42 0.12 -2.66 0.15 -1.26 -1.53 113.70 110.34 2akl s SER 33 Ca 0.06 -0.99 -0.30 0.00 0.70 0.00 0.00 55.95 55.42 2akl s SER 33 Cb -0.01 -1.66 -0.08 0.00 -1.71 0.00 0.00 66.02 62.56 2akl s SER 33 CO -0.07 -0.16 1.60 1.55 1.20 0.00 0.00 173.24 177.35 2akl h PRO 34 N 7.99 -0.56 0.00 5.44 0.13 -1.97 0.21 132.00 143.23 2akl h PRO 34 Ca -0.29 0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.67 2akl h PRO 34 Cb 1.09 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2akl h PRO 34 CO 0.56 -0.38 -1.25 -0.97 -0.23 0.00 0.00 178.00 175.73 2akl h ASN 35 N -0.58 0.00 0.72 1.44 -0.00 -1.99 -3.25 115.58 111.92 2akl h ASN 35 Ca 0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.15 2akl h ASN 35 Cb 0.64 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.94 2akl h ASN 35 CO -0.26 0.81 -0.86 -0.08 -0.00 0.00 0.00 177.43 177.04 2akl h GLU 36 N 0.00 0.09 -0.08 6.67 4.81 -1.86 -0.56 114.58 123.65 2akl h GLU 36 Ca -0.14 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 2akl h GLU 36 Cb 1.74 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.14 2akl h GLU 36 CO 0.08 0.89 -0.19 0.00 -0.73 0.00 0.00 179.01 179.07 2akl h ALA 37 N 1.07 1.54 0.03 2.92 0.00 -0.68 -1.89 119.26 122.26 2akl h ALA 37 Ca -0.03 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.45 2akl h ALA 37 Cb 1.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2akl h ALA 37 CO 0.12 0.33 -0.99 0.00 0.00 0.00 0.00 179.25 178.72 2akl h ALA 38 N 1.69 0.39 -0.70 0.00 0.00 -1.52 -3.48 119.26 115.65 2akl h ALA 38 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2akl h ALA 38 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2akl h ALA 38 CO 0.03 1.01 0.00 2.41 0.00 0.00 0.00 179.25 182.70 2akl n THR 39 N -3.55 0.00 -1.58 0.00 -1.04 -0.24 -1.51 114.28 106.35 2akl n THR 39 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2akl n THR 39 Cb 0.89 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.40 2akl n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2akl n ALA 40 N 2.56 1.60 -0.48 2.41 0.00 -1.26 -4.77 120.51 120.57 2akl n ALA 40 Ca 0.00 -0.81 0.11 0.00 0.00 0.00 0.00 53.44 52.74 2akl n ALA 40 Cb 0.00 -0.30 0.34 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.01 4.33 -1.00 0.00 7.64 -0.57 -4.89 113.62 119.12 2akl n SER 41 Ca 0.00 -2.19 0.01 0.00 1.01 0.00 0.00 58.87 57.71 2akl n SER 41 Cb 0.62 -0.53 -0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2akl n SER 41 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2akl n ASP 42 N 1.45 -5.97 -3.40 6.43 2.03 -1.26 -4.76 116.55 111.07 2akl n ASP 42 Ca 0.25 0.11 -0.23 0.00 0.52 0.00 0.00 54.79 55.45 2akl n ASP 42 Cb 0.74 -0.32 -0.10 0.00 -0.72 0.00 0.00 41.12 40.72 2akl n ASP 42 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2akl s ASP 43 N -4.23 1.96 0.00 1.67 2.15 -1.26 -4.79 116.67 112.17 2akl s ASP 43 Ca 0.00 -1.94 0.00 0.00 0.43 0.00 0.00 52.55 51.04 2akl s ASP 43 Cb 0.00 0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 2akl s ASP 43 CO 0.00 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2akl n GLY 44 N 4.06 2.99 3.45 2.66 0.00 -1.26 -5.07 105.19 112.02 2akl n GLY 44 Ca 0.13 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2akl n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2akl s LYS 45 N 0.00 3.07 -0.02 1.61 0.00 -1.26 -5.04 119.74 118.11 2akl s LYS 45 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 55.97 55.01 2akl s LYS 45 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 37.83 34.00 2akl s LYS 45 CO 0.00 -0.64 0.08 0.08 0.00 0.00 0.00 175.35 174.86 2akl s VAL 46 N 1.65 0.03 -0.01 1.79 1.01 -1.26 -4.88 120.40 118.73 2akl s VAL 46 Ca 0.04 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 2akl s VAL 46 Cb -0.19 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2akl s VAL 46 CO 0.09 -0.15 0.55 -0.63 0.00 0.00 0.00 175.10 174.96 2akl s ILE 47 N -0.45 4.95 0.04 2.22 -1.09 -1.26 -4.66 121.20 120.95 2akl s ILE 47 Ca -0.05 1.15 0.07 0.00 -2.23 0.00 0.00 60.65 59.58 2akl s ILE 47 Cb -0.03 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 2akl s ILE 47 CO 0.00 0.44 -0.15 -0.54 -1.23 0.00 0.00 174.94 173.46 2akl s LYS 48 N -0.29 2.14 0.57 2.79 1.02 -1.23 -2.12 119.74 122.63 2akl s LYS 48 Ca 0.29 -0.95 0.08 0.00 0.02 0.00 0.00 55.97 55.40 2akl s LYS 48 Cb -0.18 -2.25 0.07 0.00 -0.52 0.00 0.00 37.83 34.96 2akl s LYS 48 CO 0.16 0.54 0.63 -0.51 -0.92 0.00 0.00 175.35 175.25 2akl s ASP 49 N -1.55 4.85 0.00 2.83 1.11 -0.33 -4.51 116.67 119.08 2akl s ASP 49 Ca 0.16 -1.07 0.20 0.00 0.18 0.00 0.00 52.55 52.02 2akl s ASP 49 Cb -0.11 0.45 0.90 0.00 1.07 0.00 0.00 42.92 45.23 2akl s ASP 49 CO 0.07 -1.29 1.65 -0.24 1.18 0.00 0.00 175.17 176.54 2akl n SER 50 N -2.06 0.00 0.15 0.27 2.88 -0.94 -1.34 113.62 112.57 2akl n SER 50 Ca 0.08 0.41 0.12 0.00 -1.33 0.00 0.00 58.87 58.15 2akl n SER 50 Cb 0.63 -0.46 0.13 0.00 -0.75 0.00 0.00 64.21 63.75 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 -1.88 -3.47 116.25 115.43 2akl h VAL 51 Ca 0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2akl h VAL 51 Cb 0.32 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 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 1.18 0.75 3.94 2.17 0.00 -0.45 -5.07 105.19 107.70 2akl n GLY 52 Ca 0.03 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.13 6.35 -0.13 1.61 6.03 -1.26 -4.86 114.94 120.56 2akl s ASN 53 Ca 0.00 0.22 -0.02 0.00 -1.03 0.00 0.00 52.86 52.03 2akl s ASN 53 Cb 0.00 -1.93 -0.03 0.00 -3.03 0.00 0.00 41.25 36.26 2akl s ASN 53 CO 0.00 0.08 -0.05 -0.69 -2.03 0.00 0.00 177.10 174.41 2akl s VAL 54 N -1.68 3.85 0.58 3.54 1.01 -1.26 -1.19 120.40 125.25 2akl s VAL 54 Ca 0.35 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.99 2akl s VAL 54 Cb -0.12 -2.65 0.07 0.00 0.00 0.00 0.00 36.38 33.69 2akl s VAL 54 CO 0.28 0.53 0.80 -0.76 0.00 0.00 0.00 175.10 175.95 2akl s LEU 55 N -0.05 3.21 0.07 3.92 1.02 -0.90 -5.03 118.68 120.92 2akl s LEU 55 Ca 0.01 -0.49 0.08 0.00 0.02 0.00 0.00 54.13 53.75 2akl s LEU 55 Cb -0.13 -2.14 -0.03 0.00 0.02 0.00 0.00 46.19 43.91 2akl s LEU 55 CO 0.03 -1.33 -0.21 -1.58 0.02 0.00 0.00 176.35 173.28 2akl s GLN 56 N -4.75 1.28 -0.56 1.70 0.74 -1.26 -4.74 119.66 112.07 2akl s GLN 56 Ca 0.61 -1.03 -0.27 0.00 0.05 0.00 0.00 55.36 54.72 2akl s GLN 56 Cb -0.07 -1.46 -0.01 0.00 1.10 0.00 0.00 33.01 32.57 2akl s GLN 56 CO 0.39 0.36 1.78 0.34 -0.55 0.00 0.00 175.29 177.61 2akl s ASP 57 N -1.48 5.50 0.00 6.67 -1.08 -1.26 -1.55 116.67 123.47 2akl s ASP 57 Ca 0.07 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.56 2akl s ASP 57 Cb -0.09 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2akl s ASP 57 CO 0.03 -2.17 0.00 0.61 0.52 0.00 0.00 175.17 174.16 2akl n GLY 58 N 5.59 1.18 3.69 2.66 0.00 -0.57 -4.93 105.19 112.81 2akl n GLY 58 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.84 2.46 -0.12 1.61 2.15 -0.60 -2.81 116.67 118.54 2akl s ASP 59 Ca 0.00 0.99 -0.04 0.00 0.43 0.00 0.00 52.55 53.93 2akl s ASP 59 Cb 0.00 -1.54 -0.04 0.00 -0.30 0.00 0.00 42.92 41.04 2akl s ASP 59 CO 0.00 -3.21 0.04 -0.89 -0.17 0.00 0.00 175.17 170.95 2akl s THR 60 N -3.07 4.67 0.38 1.71 2.01 -1.26 -0.70 115.64 119.38 2akl s THR 60 Ca 0.66 -0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.63 2akl s THR 60 Cb -0.16 -3.01 -0.07 0.00 0.01 0.00 0.00 72.50 69.27 2akl s THR 60 CO 0.56 0.58 -0.01 0.27 -0.69 0.00 0.00 174.62 175.33 2akl s ILE 61 N -0.63 1.95 -0.17 1.82 -5.25 0.32 -1.58 121.20 117.67 2akl s ILE 61 Ca 0.11 -2.05 -0.05 0.00 -0.99 0.00 0.00 60.65 57.66 2akl s ILE 61 Cb -0.12 -2.87 0.08 0.00 2.95 0.00 0.00 42.46 42.51 2akl s ILE 61 CO 0.02 -0.06 0.32 -0.89 -1.79 0.00 0.00 174.94 172.54 2akl s THR 62 N -2.77 -0.51 0.17 8.37 2.01 0.15 -1.89 115.64 121.19 2akl s THR 62 Ca 0.34 0.18 -0.32 0.00 0.31 0.00 0.00 61.69 62.21 2akl s THR 62 Cb 0.08 -0.57 -0.11 0.00 0.01 0.00 0.00 72.50 71.91 2akl s THR 62 CO 0.17 0.06 1.63 0.54 -0.69 0.00 0.00 174.62 176.33 2akl s VAL 63 N 2.49 2.46 -1.93 3.82 0.11 -1.15 -0.73 120.40 125.46 2akl s VAL 63 Ca 0.02 0.30 0.17 0.00 -2.93 0.00 0.00 61.98 59.54 2akl s VAL 63 Cb -0.13 -3.19 0.50 0.00 -1.53 0.00 0.00 36.38 32.04 2akl s VAL 63 CO -0.11 0.02 1.42 2.30 -3.33 0.00 0.00 175.10 175.40 2akl n ILE 64 N 4.06 0.81 -4.25 7.04 -0.00 -0.27 -0.40 119.36 126.35 2akl n ILE 64 Ca 0.15 -0.77 -0.14 0.00 -0.00 0.00 0.00 62.75 61.98 2akl n ILE 64 Cb 0.38 0.35 -0.10 0.00 -0.00 0.00 0.00 39.64 40.27 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 -1.29 1.34 -0.41 6.28 -0.14 -1.24 -4.71 119.74 119.57 2akl s LYS 65 Ca 0.38 -1.72 -0.23 0.00 -1.36 0.00 0.00 55.97 53.03 2akl s LYS 65 Cb 0.20 0.09 0.02 0.00 -1.68 0.00 0.00 37.83 36.46 2akl s LYS 65 CO 0.25 -0.39 0.79 0.16 -0.76 0.00 0.00 175.35 175.40 2akl s ASP 66 N -3.24 6.48 0.02 2.83 -4.77 -1.26 -2.31 116.67 114.42 2akl s ASP 66 Ca 0.38 0.13 0.04 0.00 -3.30 0.00 0.00 52.55 49.81 2akl s ASP 66 Cb 0.07 -2.39 -0.02 0.00 -1.09 0.00 0.00 42.92 39.49 2akl s ASP 66 CO 0.14 -0.83 -0.13 -0.76 0.70 0.00 0.00 175.17 174.29 2akl s LEU 67 N 3.22 2.11 0.76 2.11 1.02 0.18 -5.02 118.68 123.06 2akl s LEU 67 Ca 0.31 -0.36 -0.02 0.00 0.02 0.00 0.00 54.13 54.07 2akl s LEU 67 Cb -0.12 -0.62 0.14 0.00 0.02 0.00 0.00 46.19 45.61 2akl s LEU 67 CO 0.20 0.08 1.04 -1.59 0.02 0.00 0.00 176.35 176.10 2akl s LYS 68 N -0.80 1.49 -0.20 1.70 -2.85 -1.26 0.32 119.74 118.14 2akl s LYS 68 Ca 0.03 -1.11 0.01 0.00 -1.00 0.00 0.00 55.97 53.90 2akl s LYS 68 Cb -0.07 -2.28 0.04 0.00 -2.06 0.00 0.00 37.83 33.46 2akl s LYS 68 CO 0.01 -1.60 -0.13 0.08 0.10 0.00 0.00 175.35 173.80 2akl s VAL 69 N -3.24 1.86 -0.27 1.79 1.01 -1.23 -4.56 120.40 115.76 2akl s VAL 69 Ca 0.68 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 2akl s VAL 69 Cb -0.04 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.50 2akl s VAL 69 CO 0.46 0.26 1.10 -0.75 0.00 0.00 0.00 175.10 176.17 2akl s LYS 70 N 1.31 4.14 0.00 2.72 2.47 -1.26 -2.74 119.74 126.38 2akl s LYS 70 Ca -0.01 1.25 0.00 0.00 -1.56 0.00 0.00 55.97 55.65 2akl s LYS 70 Cb -0.16 -3.72 0.00 0.00 -1.46 0.00 0.00 37.83 32.49 2akl s LYS 70 CO -0.09 -0.81 0.00 0.41 0.16 0.00 0.00 175.35 175.02 2akl n GLY 71 N 3.70 3.39 3.83 5.54 0.00 -1.26 -5.04 105.19 115.34 2akl n GLY 71 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.87 4.66 0.00 1.61 0.01 -1.11 -5.02 113.70 112.98 2akl s SER 72 Ca 0.00 -1.05 0.21 0.00 1.31 0.00 0.00 55.95 56.42 2akl s SER 72 Cb 0.00 -0.20 0.57 0.00 0.21 0.00 0.00 66.02 66.60 2akl s SER 72 CO 0.00 -0.76 1.48 -0.24 0.41 0.00 0.00 173.24 174.14 2akl n SER 73 N -1.49 3.53 -4.81 2.44 2.88 -1.26 -4.76 113.62 110.15 2akl n SER 73 Ca -0.01 -1.99 -0.29 0.00 -1.33 0.00 0.00 58.87 55.25 2akl n SER 73 Cb 0.64 -0.41 0.11 0.00 -0.75 0.00 0.00 64.21 63.79 2akl n SER 73 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2akl s LEU 74 N -1.08 2.40 -0.28 2.46 2.96 -1.26 -5.04 118.68 118.83 2akl s LEU 74 Ca 0.44 0.78 -0.07 0.00 -0.22 0.00 0.00 54.13 55.06 2akl s LEU 74 Cb 0.23 -3.19 0.14 0.00 0.50 0.00 0.00 46.19 43.86 2akl s LEU 74 CO 0.31 -2.13 0.58 -0.69 -1.32 0.00 0.00 176.35 173.10 2akl s VAL 75 N -3.53 -0.92 -0.73 1.68 1.01 -1.26 -3.54 120.40 113.11 2akl s VAL 75 Ca 0.63 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.45 2akl s VAL 75 Cb -0.11 -0.93 0.13 0.00 0.00 0.00 0.00 36.38 35.46 2akl s VAL 75 CO 0.50 0.00 0.85 -0.69 0.00 0.00 0.00 175.10 175.77 2akl s VAL 76 N 2.82 4.87 0.12 2.92 1.01 0.15 -4.97 120.40 127.32 2akl s VAL 76 Ca 0.02 -1.32 0.06 0.00 0.00 0.00 0.00 61.98 60.74 2akl s VAL 76 Cb -0.13 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 2akl s VAL 76 CO -0.18 -1.25 -0.02 -1.59 0.00 0.00 0.00 175.10 172.06 2akl s LYS 77 N 2.43 2.43 -0.72 2.72 0.00 -1.26 0.50 119.74 125.84 2akl s LYS 77 Ca 0.19 -0.96 -0.26 0.00 0.00 0.00 0.00 55.97 54.94 2akl s LYS 77 Cb -0.16 -2.44 -0.14 0.00 0.00 0.00 0.00 37.83 35.09 2akl s LYS 77 CO 0.00 0.51 2.49 1.55 0.00 0.00 0.00 175.35 179.90 2akl n VAL 78 N 0.34 -0.05 0.00 1.79 3.14 -0.98 -0.44 118.33 122.15 2akl n VAL 78 Ca -0.11 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 2akl n VAL 78 Cb 0.53 -1.79 0.00 0.00 -1.06 0.00 0.00 33.84 31.52 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 -0.23 3.57 7.55 0.00 0.47 -4.95 105.19 117.82 2akl n GLY 79 Ca 0.50 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 -0.68 3.09 -0.39 2.61 2.01 0.42 -4.83 115.64 117.86 2akl s THR 80 Ca 0.00 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 2akl s THR 80 Cb 0.00 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.35 2akl s THR 80 CO 0.00 -0.14 0.69 -0.75 -0.69 0.00 0.00 174.62 173.73 2akl s LYS 81 N 7.18 3.55 -0.20 4.92 2.20 -1.26 -2.95 119.74 133.17 2akl s LYS 81 Ca 0.94 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 2akl s LYS 81 Cb -0.23 -3.87 0.04 0.00 -1.51 0.00 0.00 37.83 32.27 2akl s LYS 81 CO 0.30 -0.89 -0.11 0.08 -0.36 0.00 0.00 175.35 174.36 2akl s VAL 82 N 2.92 1.71 0.10 4.02 1.01 -0.79 -4.98 120.40 124.39 2akl s VAL 82 Ca 0.26 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2akl s VAL 82 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2akl s VAL 82 CO 0.18 0.17 0.12 -1.59 0.00 0.00 0.00 175.10 173.98 2akl s LYS 83 N 1.36 3.01 -0.69 2.72 -2.85 -1.26 -0.52 119.74 121.51 2akl s LYS 83 Ca -0.02 -0.68 -0.01 0.00 -1.00 0.00 0.00 55.97 54.26 2akl s LYS 83 Cb -0.16 -2.78 0.00 0.00 -2.06 0.00 0.00 37.83 32.83 2akl s LYS 83 CO -0.08 0.55 0.58 0.09 0.10 0.00 0.00 175.35 176.60 2akl n ASN 84 N 0.21 -2.68 -3.40 0.03 3.02 0.12 -4.91 115.26 107.66 2akl n ASN 84 Ca -0.08 -0.33 -0.29 0.00 -0.03 0.00 0.00 54.58 53.85 2akl n ASN 84 Cb 0.52 -3.06 0.26 0.00 -0.61 0.00 0.00 39.78 36.89 2akl n ASN 84 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2akl n ILE 85 N -3.05 0.00 -4.07 2.41 -5.35 -0.96 -4.63 119.36 103.71 2akl n ILE 85 Ca -0.12 -0.28 -0.26 0.00 -0.27 0.00 0.00 62.75 61.82 2akl n ILE 85 Cb 0.58 -1.12 -0.17 0.00 -1.74 0.00 0.00 39.64 37.19 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 -5.25 1.60 -0.25 6.28 6.06 0.12 -1.51 118.95 126.00 2akl s ARG 86 Ca 0.67 -0.30 -0.26 0.00 -2.50 0.00 0.00 55.73 53.34 2akl s ARG 86 Cb -0.09 -1.56 0.00 0.00 0.06 0.00 0.00 34.95 33.36 2akl s ARG 86 CO 0.53 -0.20 0.91 -0.51 -2.50 0.00 0.00 175.30 173.54 2akl s LEU 87 N 1.45 4.08 0.48 -0.88 1.43 -1.26 -0.72 118.68 123.27 2akl s LEU 87 Ca 0.00 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.28 2akl s LEU 87 Cb -0.13 -3.32 0.02 0.00 0.03 0.00 0.00 46.19 42.78 2akl s LEU 87 CO -0.06 -0.59 0.68 -0.69 0.23 0.00 0.00 176.35 175.92 2akl s VAL 88 N 3.02 2.97 -0.89 -1.59 1.01 -1.03 -4.98 120.40 118.92 2akl s VAL 88 Ca 0.38 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 2akl s VAL 88 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2akl s VAL 88 CO 0.08 -0.04 1.65 -1.81 0.00 0.00 0.00 175.10 174.98 2akl s ASP 89 N -4.37 5.82 0.00 3.32 1.11 -1.26 -4.76 116.67 116.53 2akl s ASP 89 Ca 0.55 -0.81 0.00 0.00 0.18 0.00 0.00 52.55 52.47 2akl s ASP 89 Cb -0.10 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.33 2akl s ASP 89 CO 0.36 -2.10 0.00 0.61 1.18 0.00 0.00 175.17 175.22 2akl n GLY 90 N 6.51 -1.55 0.05 0.21 0.00 -1.26 -5.00 105.19 104.15 2akl n GLY 90 Ca 0.30 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 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 1.32 0.77 -2.79 1.61 2.03 -1.26 -4.08 116.55 114.14 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 1.33 0.02 0.00 -0.72 0.00 0.00 41.12 41.75 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 -2.42 3.18 -3.41 -0.67 1.44 -1.26 -3.51 115.22 108.57 2akl n HIS 92 Ca -0.17 -2.70 -0.23 0.00 -2.01 0.00 0.00 57.72 52.61 2akl n HIS 92 Cb 0.80 -0.74 -0.10 0.00 0.12 0.00 0.00 29.99 30.07 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 -2.12 2.03 -0.23 4.39 1.11 -1.26 -4.56 116.67 116.03 2akl s ASP 93 Ca 0.50 -1.94 0.02 0.00 0.18 0.00 0.00 52.55 51.31 2akl s ASP 93 Cb 0.41 0.07 0.05 0.00 1.07 0.00 0.00 42.92 44.51 2akl s ASP 93 CO -0.31 -0.28 -0.14 -0.63 1.18 0.00 0.00 175.17 174.99 2akl s ILE 94 N 1.20 2.12 -0.04 0.77 1.01 -1.20 -2.46 121.20 122.59 2akl s ILE 94 Ca 0.18 -1.38 -0.12 0.00 0.00 0.00 0.00 60.65 59.34 2akl s ILE 94 Cb -0.18 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 2akl s ILE 94 CO -0.01 0.18 0.31 -0.62 0.00 0.00 0.00 174.94 174.80 2akl s ASP 95 N 1.17 6.66 0.10 3.58 -1.08 0.10 -1.53 116.67 125.68 2akl s ASP 95 Ca -0.04 0.79 -0.11 0.00 -0.52 0.00 0.00 52.55 52.67 2akl s ASP 95 Cb -0.17 -2.19 0.01 0.00 -1.46 0.00 0.00 42.92 39.11 2akl s ASP 95 CO -0.08 0.35 0.27 0.00 0.52 0.00 0.00 175.17 176.23 2akl s LYS 97 N -3.79 3.04 -0.31 0.00 3.01 -1.26 -0.05 119.74 120.38 2akl s LYS 97 Ca 0.04 -0.62 -0.02 0.00 -1.01 0.00 0.00 55.97 54.35 2akl s LYS 97 Cb 0.04 -2.60 0.05 0.00 -1.01 0.00 0.00 37.83 34.31 2akl s LYS 97 CO -0.11 0.44 0.03 0.42 0.51 0.00 0.00 175.35 176.64 2akl s ILE 98 N -0.23 3.09 -0.44 2.17 -1.09 0.15 -4.91 121.20 119.94 2akl s ILE 98 Ca 0.02 -1.42 -0.27 0.00 -2.23 0.00 0.00 60.65 56.75 2akl s ILE 98 Cb -0.13 -2.81 -0.07 0.00 -1.58 0.00 0.00 42.46 37.87 2akl s ILE 98 CO 0.03 -0.17 2.39 0.47 -1.23 0.00 0.00 174.94 176.42 2akl n ASP 99 N 4.64 2.47 0.00 3.58 8.00 -1.26 -1.52 116.55 132.46 2akl n ASP 99 Ca -0.12 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.02 2akl n ASP 99 Cb 0.43 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 2akl n ASP 99 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2akl n GLY 100 N 5.98 2.45 0.10 0.44 0.00 -1.26 -4.91 105.19 107.99 2akl n GLY 100 Ca 0.36 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 2akl n GLY 100 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2akl h ILE 101 N 0.00 1.14 0.00 -0.61 3.07 -1.97 -3.51 117.51 115.62 2akl h ILE 101 Ca 0.00 -2.26 0.00 0.00 1.55 0.00 0.00 64.86 64.15 2akl h ILE 101 Cb 0.00 2.59 0.00 0.00 -0.27 0.00 0.00 36.82 39.14 2akl h ILE 101 CO 0.00 0.46 0.00 0.61 -1.05 0.00 0.00 178.15 178.17 2akl n GLY 102 N 1.54 0.81 3.78 0.16 0.00 -0.57 -5.03 105.19 105.86 2akl n GLY 102 Ca -0.26 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 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 3.20 0.07 4.61 0.00 -1.26 0.30 121.76 127.67 2akl s ALA 103 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.65 2akl s ALA 103 Cb 0.00 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 2akl s ALA 103 CO 0.00 -0.02 -0.10 1.41 0.00 0.00 0.00 175.76 177.05 2akl s MET 104 N -2.07 0.71 -0.05 0.00 0.00 0.92 -4.86 119.30 113.96 2akl s MET 104 Ca 0.52 -0.95 0.02 0.00 0.00 0.00 0.00 55.69 55.28 2akl s MET 104 Cb -0.22 -0.50 -0.03 0.00 0.00 0.00 0.00 34.83 34.07 2akl s MET 104 CO 0.28 0.09 -0.10 -1.59 0.00 0.00 0.00 175.02 173.70 2akl s LYS 105 N -2.05 2.61 -0.02 4.11 0.00 -1.26 -1.59 119.74 121.54 2akl s LYS 105 Ca -0.03 -0.64 0.07 0.00 0.00 0.00 0.00 55.97 55.38 2akl s LYS 105 Cb -0.07 -2.48 -0.02 0.00 0.00 0.00 0.00 37.83 35.25 2akl s LYS 105 CO 0.01 0.64 -0.25 -0.51 0.00 0.00 0.00 175.35 175.24 2akl s LEU 106 N -0.87 2.05 -0.32 2.77 1.43 -0.58 -5.01 118.68 118.13 2akl s LEU 106 Ca 0.13 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 52.49 2akl s LEU 106 Cb -0.11 -1.28 0.02 0.00 0.03 0.00 0.00 46.19 44.85 2akl s LEU 106 CO 0.02 0.30 1.04 -0.75 0.23 0.00 0.00 176.35 177.19 2akl s LYS 107 N -0.54 4.04 0.42 1.70 2.47 -1.26 -3.25 119.74 123.31 2akl s LYS 107 Ca 0.08 0.99 0.16 0.00 -1.56 0.00 0.00 55.97 55.64 2akl s LYS 107 Cb -0.10 -3.74 1.04 0.00 -1.46 0.00 0.00 37.83 33.57 2akl s LYS 107 CO -0.01 -0.89 1.91 0.66 0.16 0.00 0.00 175.35 177.18 2akl h SER 108 N 8.14 0.41 0.44 1.43 4.64 -1.83 0.24 113.55 127.01 2akl h SER 108 Ca -0.21 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2akl h SER 108 Cb 1.06 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2akl h SER 108 CO 1.02 0.21 0.00 -0.62 -0.87 0.00 0.00 176.83 176.56 2akl n GLU 109 N -4.49 0.01 0.00 4.77 1.02 -1.26 -2.04 120.64 118.65 2akl n GLU 109 Ca 0.15 0.27 0.06 0.00 -0.02 0.00 0.00 57.16 57.62 2akl n GLU 109 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 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 -1.49 0.00 -4.15 -0.32 3.72 0.82 -4.39 117.46 111.64 2akl n PHE 110 Ca 0.03 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.17 2akl n PHE 110 Cb 0.15 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.50 1.96 -0.11 -4.37 -7.23 -0.86 -1.12 120.40 107.17 2akl s VAL 111 Ca 0.10 -1.68 -0.07 0.00 -1.81 0.00 0.00 61.98 58.52 2akl s VAL 111 Cb 0.10 -2.64 0.04 0.00 0.56 0.00 0.00 36.38 34.44 2akl s VAL 111 CO 0.29 0.00 0.26 -0.60 -0.31 0.00 0.00 175.10 174.74 2akl s ARG 112 N -4.01 0.25 0.29 4.82 3.52 0.09 -2.55 118.95 121.35 2akl s ARG 112 Ca 0.34 0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 56.14 2akl s ARG 112 Cb 0.02 -0.03 -0.10 0.00 -1.56 0.00 0.00 34.95 33.27 2akl s ARG 112 CO 0.19 -0.12 1.41 0.21 -0.81 0.00 0.00 175.30 176.18 2akl s LYS 113 N 0.92 4.27 -0.20 5.12 2.20 -1.26 0.35 119.74 131.13 2akl s LYS 113 Ca -0.06 2.32 -0.16 0.00 -0.36 0.00 0.00 55.97 57.71 2akl s LYS 113 Cb -0.08 -3.08 -0.08 0.00 -1.51 0.00 0.00 37.83 33.08 2akl s LYS 113 CO -0.06 -0.38 -0.27 0.28 -0.36 0.00 0.00 175.35 174.57 2akl n VAL 114 N 1.72 1.50 -2.41 4.02 0.31 -0.61 -4.82 118.33 118.04 2akl n VAL 114 Ca 0.04 0.01 -0.05 0.00 -0.01 0.00 0.00 64.34 64.33 2akl n VAL 114 Cb 0.40 -2.21 0.02 0.00 -0.91 0.00 0.00 33.84 31.15 2akl n VAL 114 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2akl n GLY 115 N 1.43 0.23 0.00 2.92 0.00 -1.22 -5.05 105.19 103.51 2akl n GLY 115 Ca -0.25 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2akl n GLY 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18