#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kha s TYR 7 N 0.00 2.27 0.26 2.61 5.04 -1.26 -5.11 117.35 121.15 2kha s TYR 7 Ca 0.00 0.05 0.08 0.00 -2.44 0.00 0.00 57.07 54.76 2kha s TYR 7 Cb 0.00 -3.11 -0.04 0.00 0.35 0.00 0.00 41.96 39.16 2kha s TYR 7 CO 0.00 -1.52 0.08 0.08 -1.34 0.00 0.00 175.55 172.85 2kha s VAL 8 N -3.15 3.86 0.19 3.14 1.01 -1.26 -4.89 120.40 119.30 2kha s VAL 8 Ca 0.63 -1.70 -0.31 0.00 0.00 0.00 0.00 61.98 60.61 2kha s VAL 8 Cb -0.08 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 2kha s VAL 8 CO 0.44 -0.36 1.42 0.54 0.00 0.00 0.00 175.10 177.14 2kha s VAL 9 N -2.24 2.91 0.00 2.92 0.11 -1.26 -5.00 120.40 117.85 2kha s VAL 9 Ca 0.32 0.71 0.00 0.00 -2.93 0.00 0.00 61.98 60.08 2kha s VAL 9 Cb -0.07 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 2kha s VAL 9 CO 0.22 0.09 0.00 -2.65 -3.33 0.00 0.00 175.10 169.43 2kha n PRO 10 N 3.06 -1.17 -4.07 1.54 -0.02 -1.26 -4.83 135.00 128.24 2kha n PRO 10 Ca 0.09 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.22 2kha n PRO 10 Cb 0.41 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.76 2kha n PRO 10 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kha s SER 11 N -1.78 4.84 -0.60 2.55 0.15 -1.26 -4.76 113.70 112.84 2kha s SER 11 Ca 0.00 -0.20 -0.26 0.00 0.70 0.00 0.00 55.95 56.20 2kha s SER 11 Cb 0.00 -1.83 0.04 0.00 -1.71 0.00 0.00 66.02 62.52 2kha s SER 11 CO 0.00 0.07 1.07 0.00 1.20 0.00 0.00 173.24 175.57 2kha s ALA 12 N 0.99 3.05 -0.54 5.45 0.00 -1.25 -3.94 121.76 125.52 2kha s ALA 12 Ca 0.02 -1.19 -0.20 0.00 0.00 0.00 0.00 51.96 50.59 2kha s ALA 12 Cb -0.14 -3.91 0.07 0.00 0.00 0.00 0.00 23.12 19.13 2kha s ALA 12 CO 0.02 -2.63 0.70 0.21 0.00 0.00 0.00 175.76 174.05 2kha s LYS 13 N 4.50 3.12 0.32 0.00 2.47 0.31 -4.84 119.74 125.64 2kha s LYS 13 Ca 0.34 -0.92 0.03 0.00 -1.56 0.00 0.00 55.97 53.86 2kha s LYS 13 Cb -0.11 -4.14 -0.02 0.00 -1.46 0.00 0.00 37.83 32.10 2kha s LYS 13 CO 0.20 -1.36 0.49 -0.51 0.16 0.00 0.00 175.35 174.32 2kha s LEU 14 N 2.87 4.06 -0.10 5.43 1.02 -1.25 -0.84 118.68 129.86 2kha s LEU 14 Ca 0.16 0.19 -0.08 0.00 0.02 0.00 0.00 54.13 54.42 2kha s LEU 14 Cb -0.20 -3.04 0.03 0.00 0.02 0.00 0.00 46.19 43.00 2kha s LEU 14 CO 0.11 -0.30 0.26 -1.61 0.02 0.00 0.00 176.35 174.83 2kha s GLU 15 N -4.21 0.27 -0.62 1.70 2.02 0.81 -4.93 118.70 113.74 2kha s GLU 15 Ca 0.40 0.42 -0.24 0.00 0.02 0.00 0.00 54.97 55.57 2kha s GLU 15 Cb -0.09 0.06 0.05 0.00 0.10 0.00 0.00 34.13 34.25 2kha s GLU 15 CO 0.33 -0.08 0.98 0.00 0.02 0.00 0.00 175.26 176.51 2kha s ALA 16 N 0.52 3.10 0.63 5.21 0.00 -1.26 -1.89 121.76 128.08 2kha s ALA 16 Ca -0.03 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.26 2kha s ALA 16 Cb -0.05 -3.84 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 2kha s ALA 16 CO -0.03 -2.65 1.05 0.42 0.00 0.00 0.00 175.76 174.56 2kha s ILE 17 N 4.17 3.93 0.06 0.00 -1.09 -1.19 0.13 121.20 127.21 2kha s ILE 17 Ca 0.27 0.80 0.09 0.00 -2.23 0.00 0.00 60.65 59.58 2kha s ILE 17 Cb -0.14 -3.40 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2kha s ILE 17 CO 0.15 -0.66 -0.24 -0.47 -1.23 0.00 0.00 174.94 172.49 2kha s TYR 18 N -2.70 2.38 -1.89 3.97 5.04 -1.26 -2.93 117.35 119.96 2kha s TYR 18 Ca 0.61 -0.37 0.30 0.00 -2.44 0.00 0.00 57.07 55.17 2kha s TYR 18 Cb -0.15 -1.39 1.39 0.00 0.35 0.00 0.00 41.96 42.16 2kha s TYR 18 CO 0.44 0.19 1.94 -0.35 -1.34 0.00 0.00 175.55 176.44 2kha n PRO 19 N 1.56 0.94 -3.11 4.97 -0.05 -1.26 -4.75 135.00 133.31 2kha n PRO 19 Ca -0.17 -0.30 0.04 0.00 -0.05 0.00 0.00 63.50 63.03 2kha n PRO 19 Cb 0.52 -1.49 0.00 0.00 -0.05 0.00 0.00 33.50 32.48 2kha n PRO 19 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 175.50 174.47 2kha s ARG 20 N -2.27 0.30 0.04 0.54 1.70 -1.22 -4.86 118.95 113.19 2kha s ARG 20 Ca 0.36 0.19 -0.02 0.00 -0.47 0.00 0.00 55.73 55.79 2kha s ARG 20 Cb 0.21 0.11 0.01 0.00 -0.57 0.00 0.00 34.95 34.70 2kha s ARG 20 CO 0.42 -0.53 0.12 0.41 -1.08 0.00 0.00 175.30 174.64 2kha n GLY 21 N 4.96 1.60 3.35 3.88 0.00 -1.15 -4.14 105.19 113.70 2kha n GLY 21 Ca 0.08 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 2kha n GLY 21 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kha s LEU 22 N 0.00 0.20 -0.29 0.99 1.98 0.34 -3.14 118.68 118.76 2kha s LEU 22 Ca 0.02 0.93 -0.02 0.00 -2.89 0.00 0.00 54.13 52.18 2kha s LEU 22 Cb -0.01 1.58 0.09 0.00 0.66 0.00 0.00 46.19 48.51 2kha s LEU 22 CO 0.01 -0.16 0.09 -0.60 -1.89 0.00 0.00 176.35 173.80 2kha s ARG 23 N 0.35 0.60 0.20 1.98 3.00 -0.79 -1.27 118.95 123.02 2kha s ARG 23 Ca -0.01 -0.87 0.07 0.00 -1.00 0.00 0.00 55.73 53.92 2kha s ARG 23 Cb -0.04 -1.84 -0.04 0.00 0.00 0.00 0.00 34.95 33.03 2kha s ARG 23 CO -0.01 -0.94 0.06 0.08 0.00 0.00 0.00 175.30 174.49 2kha s VAL 24 N 1.75 3.95 -0.10 7.11 1.01 -0.50 -0.14 120.40 133.48 2kha s VAL 24 Ca 0.08 -1.43 -0.22 0.00 0.00 0.00 0.00 61.98 60.41 2kha s VAL 24 Cb -0.17 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.22 2kha s VAL 24 CO -0.25 -0.19 0.52 -0.44 0.00 0.00 0.00 175.10 174.73 2kha s SER 25 N -3.24 -0.48 -0.09 3.32 0.01 -0.02 -2.01 113.70 111.18 2kha s SER 25 Ca 0.30 0.66 -0.03 0.00 1.31 0.00 0.00 55.95 58.19 2kha s SER 25 Cb -0.09 0.68 0.05 0.00 0.21 0.00 0.00 66.02 66.87 2kha s SER 25 CO 0.21 -0.40 0.17 0.27 0.41 0.00 0.00 173.24 173.90 2kha s ILE 26 N -0.68 -0.24 -0.51 1.44 -4.36 -1.00 0.11 121.20 115.96 2kha s ILE 26 Ca -0.08 0.31 -0.27 0.00 -0.26 0.00 0.00 60.65 60.35 2kha s ILE 26 Cb -0.03 -0.31 -0.08 0.00 1.25 0.00 0.00 42.46 43.29 2kha s ILE 26 CO 0.05 0.13 2.42 -0.81 0.24 0.00 0.00 174.94 176.97 2kha n PRO 27 N 5.10 1.02 -0.90 0.37 -0.04 -1.26 -2.28 135.00 137.01 2kha n PRO 27 Ca -0.09 0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.10 2kha n PRO 27 Cb 0.50 -3.21 0.14 0.00 -0.04 0.00 0.00 33.50 30.89 2kha n PRO 27 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kha s ASP 28 N 11.47 3.43 -0.28 3.54 2.15 0.37 -4.58 116.67 132.77 2kha s ASP 28 Ca 1.02 2.11 0.21 0.00 0.43 0.00 0.00 52.55 56.32 2kha s ASP 28 Cb -0.31 -2.56 0.49 0.00 -0.30 0.00 0.00 42.92 40.24 2kha s ASP 28 CO 0.30 -2.76 1.07 -0.67 -0.17 0.00 0.00 175.17 172.94 2kha n ASP 29 N -3.93 1.41 -2.02 -0.34 2.03 -1.26 -4.80 116.55 107.64 2kha n ASP 29 Ca 0.11 -2.26 -0.09 0.00 0.52 0.00 0.00 54.79 53.07 2kha n ASP 29 Cb 0.52 -0.45 0.04 0.00 -0.72 0.00 0.00 41.12 40.51 2kha n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kha n GLY 30 N -0.44 0.16 0.60 0.27 0.00 -1.26 -5.03 105.19 99.49 2kha n GLY 30 Ca 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 2kha n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kha n PHE 31 N -2.90 -3.42 0.00 1.61 3.72 -1.26 -4.77 117.46 110.43 2kha n PHE 31 Ca -0.08 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 2kha n PHE 31 Cb 0.56 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 2kha n PHE 31 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2kha n SER 32 N -3.01 2.30 -3.84 4.37 2.88 1.04 -4.90 113.62 112.46 2kha n SER 32 Ca 0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.43 2kha n SER 32 Cb 0.09 0.27 -0.15 0.00 -0.75 0.00 0.00 64.21 63.67 2kha n SER 32 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2kha s LEU 33 N -2.21 1.59 -0.27 2.46 2.96 -1.05 -4.42 118.68 117.74 2kha s LEU 33 Ca 0.00 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2kha s LEU 33 Cb 0.00 -0.07 0.07 0.00 0.50 0.00 0.00 46.19 46.69 2kha s LEU 33 CO 0.00 -0.05 -0.02 0.12 -1.32 0.00 0.00 176.35 175.08 2kha s PHE 34 N 0.47 2.69 -0.28 5.38 5.36 0.72 0.11 117.98 132.43 2kha s PHE 34 Ca -0.04 -2.08 -0.08 0.00 -0.96 0.00 0.00 56.93 53.77 2kha s PHE 34 Cb -0.06 -1.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.68 2kha s PHE 34 CO -0.01 -0.84 0.10 0.00 -1.46 0.00 0.00 175.22 173.01 2kha s ALA 35 N 1.29 3.17 -0.21 11.12 0.00 0.41 -0.03 121.76 137.52 2kha s ALA 35 Ca -0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.61 2kha s ALA 35 Cb -0.19 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 2kha s ALA 35 CO -0.09 -0.71 0.04 0.12 0.00 0.00 0.00 175.76 175.12 2kha s PHE 36 N 1.59 3.10 -0.08 0.00 5.36 -0.97 0.12 117.98 127.10 2kha s PHE 36 Ca 0.05 -0.31 0.03 0.00 -0.96 0.00 0.00 56.93 55.74 2kha s PHE 36 Cb -0.16 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.40 2kha s PHE 36 CO 0.04 -0.18 -0.16 -1.58 -1.46 0.00 0.00 175.22 171.88 2kha s HIS 37 N 1.03 1.86 -0.26 10.12 2.46 -0.72 -1.73 115.29 128.06 2kha s HIS 37 Ca 0.03 -0.75 -0.24 0.00 0.47 0.00 0.00 55.06 54.57 2kha s HIS 37 Cb -0.14 -1.31 0.07 0.00 -0.13 0.00 0.00 32.58 31.06 2kha s HIS 37 CO 0.02 -0.35 0.70 0.20 -2.47 0.00 0.00 174.74 172.85 2kha s GLY 38 N 0.61 -0.53 -0.07 1.59 0.00 -0.34 -0.46 107.32 108.13 2kha s GLY 38 Ca -0.15 1.98 0.04 0.00 0.00 0.00 0.00 44.72 46.59 2kha s GLY 38 CO 0.05 1.71 -0.19 1.25 0.00 0.00 0.00 173.10 175.92 2kha s LYS 39 N 0.37 2.71 -0.17 2.90 2.36 0.11 0.17 119.74 128.19 2kha s LYS 39 Ca -0.00 -0.79 -0.19 0.00 -2.55 0.00 0.00 55.97 52.44 2kha s LYS 39 Cb -0.05 -2.33 -0.03 0.00 -1.05 0.00 0.00 37.83 34.37 2kha s LYS 39 CO 0.01 0.43 0.54 -1.17 1.55 0.00 0.00 175.35 176.70 2kha s LEU 40 N -0.25 4.19 -0.87 5.43 2.96 -1.26 -1.93 118.68 126.95 2kha s LEU 40 Ca 0.00 0.76 -0.00 0.00 -0.22 0.00 0.00 54.13 54.67 2kha s LEU 40 Cb -0.13 -2.75 -0.00 0.00 0.50 0.00 0.00 46.19 43.81 2kha s LEU 40 CO 0.03 -0.15 0.73 -3.20 -1.32 0.00 0.00 176.35 172.44 2kha n ASN 41 N 4.50 -2.05 0.00 3.68 2.85 0.22 -4.99 115.26 119.47 2kha n ASN 41 Ca -0.05 -0.45 0.00 0.00 -0.11 0.00 0.00 54.58 53.97 2kha n ASN 41 Cb 0.51 -3.87 0.00 0.00 1.24 0.00 0.00 39.78 37.66 2kha n ASN 41 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2kha n GLU 42 N -3.27 0.00 -0.14 1.20 2.13 -1.26 -5.04 120.64 114.26 2kha n GLU 42 Ca -0.21 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.53 2kha n GLU 42 Cb 0.62 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.41 2kha n GLU 42 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kha n GLU 43 N 0.00 -1.48 -3.88 5.31 1.02 -1.26 -4.57 120.64 115.77 2kha n GLU 43 Ca 0.00 -0.37 -0.29 0.00 -0.02 0.00 0.00 57.16 56.48 2kha n GLU 43 Cb 0.00 -0.61 -0.16 0.00 -0.02 0.00 0.00 31.44 30.65 2kha n GLU 43 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2kha s MET 44 N -2.82 1.37 -1.32 3.49 -1.94 -1.26 -4.92 119.30 111.90 2kha s MET 44 Ca 0.17 -0.66 -0.09 0.00 -1.71 0.00 0.00 55.69 53.41 2kha s MET 44 Cb -0.03 -2.22 -0.09 0.00 2.01 0.00 0.00 34.83 34.50 2kha s MET 44 CO 0.14 -0.52 3.01 -0.40 -0.01 0.00 0.00 175.02 177.24 2kha n ASP 45 N 4.84 8.12 -0.79 3.03 5.75 -1.26 -4.61 116.55 131.63 2kha n ASP 45 Ca -0.11 -2.63 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 2kha n ASP 45 Cb 0.46 -1.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.04 2kha n ASP 45 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kha n GLY 46 N 3.17 -1.45 1.69 6.12 0.00 -1.26 -4.82 105.19 108.63 2kha n GLY 46 Ca 0.71 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 2kha n GLY 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kha n LEU 47 N 0.00 -0.53 -4.92 0.99 4.77 -1.26 -4.92 117.00 111.13 2kha n LEU 47 Ca 0.00 -0.06 -0.23 0.00 -0.03 0.00 0.00 56.01 55.69 2kha n LEU 47 Cb 0.00 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 2kha n LEU 47 CO 0.00 0.01 -0.10 -1.61 -1.33 0.00 0.00 177.39 174.36 2kha s GLU 48 N -0.76 3.29 0.59 3.23 0.41 -1.26 -4.98 118.70 119.22 2kha s GLU 48 Ca 0.08 -0.77 0.29 0.00 -0.41 0.00 0.00 54.97 54.16 2kha s GLU 48 Cb -0.01 -2.83 1.46 0.00 -1.78 0.00 0.00 34.13 30.97 2kha s GLU 48 CO 0.20 0.46 1.88 0.00 -0.49 0.00 0.00 175.26 177.30 2kha h ALA 49 N 1.69 2.18 -0.13 5.21 0.00 -2.00 -3.45 119.26 122.76 2kha h ALA 49 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kha h ALA 49 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kha h ALA 49 CO 0.64 -0.74 0.00 0.41 0.00 0.00 0.00 179.25 179.55 2kha n GLY 50 N -1.51 2.55 1.27 0.00 0.00 -1.26 -4.62 105.19 101.62 2kha n GLY 50 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2kha n GLY 50 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kha n HIS 51 N 14.00 0.00 -1.76 1.61 8.25 0.44 -4.78 115.22 132.99 2kha n HIS 51 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 2kha n HIS 51 Cb 0.00 0.30 -0.09 0.00 1.12 0.00 0.00 29.99 31.32 2kha n HIS 51 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kha s TRP 52 N -0.68 1.44 -0.49 4.41 0.51 0.32 -4.72 118.94 119.73 2kha s TRP 52 Ca 0.00 1.66 0.02 0.00 -2.12 0.00 0.00 56.10 55.67 2kha s TRP 52 Cb 0.00 -3.57 0.13 0.00 -0.81 0.00 0.00 33.47 29.22 2kha s TRP 52 CO 0.00 -1.04 0.24 0.00 -0.51 0.00 0.00 176.95 175.64 2kha s ALA 53 N 14.61 3.25 -0.05 0.98 0.00 -1.20 -1.20 121.76 138.15 2kha s ALA 53 Ca 0.79 -3.06 -0.02 0.00 0.00 0.00 0.00 51.96 49.67 2kha s ALA 53 Cb -0.05 -2.22 0.04 0.00 0.00 0.00 0.00 23.12 20.88 2kha s ALA 53 CO 0.14 -1.94 0.09 0.50 0.00 0.00 0.00 175.76 174.54 2kha s ARG 54 N 0.11 -0.01 -0.07 0.00 6.06 -0.70 -5.00 118.95 119.34 2kha s ARG 54 Ca 0.15 0.35 -0.19 0.00 -2.50 0.00 0.00 55.73 53.54 2kha s ARG 54 Cb -0.23 -0.30 -0.05 0.00 0.06 0.00 0.00 34.95 34.43 2kha s ARG 54 CO -0.03 -0.23 0.53 0.16 -2.50 0.00 0.00 175.30 173.23 2kha s ASP 55 N 1.59 6.81 0.03 -2.12 1.47 -1.26 -2.28 116.67 120.90 2kha s ASP 55 Ca -0.03 0.96 0.07 0.00 1.18 0.00 0.00 52.55 54.73 2kha s ASP 55 Cb -0.12 -2.32 -0.03 0.00 -0.34 0.00 0.00 42.92 40.11 2kha s ASP 55 CO -0.04 0.03 -0.21 -0.63 0.68 0.00 0.00 175.17 175.00 2kha s ILE 56 N 0.32 2.56 -0.06 2.11 1.01 0.96 -4.96 121.20 123.14 2kha s ILE 56 Ca 0.29 -1.19 0.16 0.00 0.00 0.00 0.00 60.65 59.91 2kha s ILE 56 Cb -0.16 -2.03 0.31 0.00 0.01 0.00 0.00 42.46 40.59 2kha s ILE 56 CO 0.13 0.40 1.14 0.41 0.00 0.00 0.00 174.94 177.02 2kha n THR 57 N 1.78 0.69 -3.29 2.92 -1.04 -1.26 -0.20 114.28 113.88 2kha n THR 57 Ca -0.16 -1.40 -0.08 0.00 -2.04 0.00 0.00 64.05 60.36 2kha n THR 57 Cb 0.52 0.48 -0.05 0.00 -1.82 0.00 0.00 70.33 69.46 2kha n THR 57 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2kha s LYS 58 N -1.02 0.65 0.46 -2.82 -0.14 -1.26 -4.94 119.74 110.67 2kha s LYS 58 Ca 0.27 -0.41 -0.06 0.00 -1.36 0.00 0.00 55.97 54.41 2kha s LYS 58 Cb 0.28 -0.32 0.10 0.00 -1.68 0.00 0.00 37.83 36.21 2kha s LYS 58 CO -0.09 -1.16 0.23 -2.30 -0.76 0.00 0.00 175.35 171.27 2kha n PRO 59 N 4.57 -1.32 -0.05 -1.68 -0.02 -1.26 -4.87 135.00 130.36 2kha n PRO 59 Ca 0.09 -0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.08 2kha n PRO 59 Cb 0.50 -0.65 -0.04 0.00 -0.02 0.00 0.00 33.50 33.30 2kha n PRO 59 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2kha n LYS 60 N -1.84 0.21 -2.65 -0.52 0.00 -0.21 -4.93 118.16 108.23 2kha n LYS 60 Ca 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 58.31 58.42 2kha n LYS 60 Cb 0.16 -0.87 0.03 0.00 0.00 0.00 0.00 35.03 34.35 2kha n LYS 60 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2kha s GLU 61 N -2.18 0.00 0.00 1.64 2.12 -1.26 -4.89 118.70 114.12 2kha s GLU 61 Ca -0.14 -0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.19 2kha s GLU 61 Cb 0.05 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.44 2kha s GLU 61 CO 0.18 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.31 2kha n GLY 62 N 2.73 0.48 3.54 -1.50 0.00 -1.26 -4.92 105.19 104.26 2kha n GLY 62 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 2kha n GLY 62 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kha s ARG 63 N -0.57 0.75 0.34 1.61 3.52 -1.26 -0.48 118.95 122.87 2kha s ARG 63 Ca 0.00 0.85 -0.08 0.00 -0.13 0.00 0.00 55.73 56.37 2kha s ARG 63 Cb 0.00 0.37 -0.06 0.00 -1.56 0.00 0.00 34.95 33.70 2kha s ARG 63 CO 0.00 -0.10 0.66 -1.58 -0.81 0.00 0.00 175.30 173.47 2kha s TRP 64 N 0.26 3.47 -0.08 5.12 0.52 -0.97 -1.04 118.94 126.22 2kha s TRP 64 Ca -0.01 0.85 -0.01 0.00 0.02 0.00 0.00 56.10 56.95 2kha s TRP 64 Cb -0.04 -2.28 0.03 0.00 -1.15 0.00 0.00 33.47 30.03 2kha s TRP 64 CO 0.01 0.04 -0.01 0.99 0.02 0.00 0.00 176.95 178.00 2kha s THR 65 N -2.21 0.46 -0.34 2.01 2.01 -1.26 -2.37 115.64 113.94 2kha s THR 65 Ca 0.48 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.51 2kha s THR 65 Cb -0.10 -0.61 0.07 0.00 0.01 0.00 0.00 72.50 71.87 2kha s THR 65 CO 0.30 0.27 0.08 0.12 -0.69 0.00 0.00 174.62 174.70 2kha s PHE 66 N 1.94 3.37 -0.11 4.92 5.36 -0.85 -4.97 117.98 127.63 2kha s PHE 66 Ca 0.05 -2.00 -0.05 0.00 -0.96 0.00 0.00 56.93 53.97 2kha s PHE 66 Cb -0.12 -2.48 -0.04 0.00 -0.34 0.00 0.00 43.02 40.04 2kha s PHE 66 CO -0.06 -0.85 0.08 1.03 -1.46 0.00 0.00 175.22 173.97 2kha s ARG 67 N 1.23 3.29 -0.23 10.12 1.81 -1.26 -1.41 118.95 132.50 2kha s ARG 67 Ca -0.00 -0.25 -0.03 0.00 -1.72 0.00 0.00 55.73 53.72 2kha s ARG 67 Cb -0.21 -3.04 0.08 0.00 -0.45 0.00 0.00 34.95 31.34 2kha s ARG 67 CO -0.02 0.72 0.09 0.34 -0.68 0.00 0.00 175.30 175.75 2kha s ASP 68 N -0.89 3.12 -0.14 0.23 -1.08 -0.40 -4.94 116.67 112.58 2kha s ASP 68 Ca 0.14 -1.03 0.05 0.00 -0.52 0.00 0.00 52.55 51.19 2kha s ASP 68 Cb -0.12 -0.46 0.37 0.00 -1.46 0.00 0.00 42.92 41.25 2kha s ASP 68 CO 0.03 -0.38 1.18 0.54 0.52 0.00 0.00 175.17 177.06 2kha n ARG 69 N 5.15 2.49 -1.22 4.34 3.00 -1.26 0.13 116.66 129.28 2kha n ARG 69 Ca -0.06 -1.46 0.05 0.00 -0.01 0.00 0.00 57.85 56.37 2kha n ARG 69 Cb 0.45 -1.78 0.08 0.00 0.00 0.00 0.00 32.46 31.21 2kha n ARG 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2kha n ASN 70 N 0.14 1.20 -4.33 0.55 4.13 -1.26 -4.71 115.26 110.99 2kha n ASN 70 Ca 0.17 -2.56 -0.46 0.00 1.68 0.00 0.00 54.58 53.41 2kha n ASN 70 Cb 0.79 -0.37 -0.05 0.00 -1.54 0.00 0.00 39.78 38.62 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kha s ALA 71 N -0.96 3.62 -1.15 5.41 0.00 -1.25 -4.98 121.76 122.44 2kha s ALA 71 Ca 0.35 -2.52 -0.20 0.00 0.00 0.00 0.00 51.96 49.59 2kha s ALA 71 Cb 0.38 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 2kha s ALA 71 CO -0.14 -2.14 1.93 1.17 0.00 0.00 0.00 175.76 176.58 2kha n LYS 72 N 5.46 2.17 -3.44 0.00 4.81 -1.26 -3.50 118.16 122.39 2kha n LYS 72 Ca -0.10 -2.54 -0.34 0.00 -0.87 0.00 0.00 58.31 54.46 2kha n LYS 72 Cb 0.41 -3.40 -0.06 0.00 0.02 0.00 0.00 35.03 32.01 2kha n LYS 72 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kha s LEU 73 N 5.48 4.30 -0.01 3.14 1.43 -1.26 -5.09 118.68 126.66 2kha s LEU 73 Ca 0.59 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 2kha s LEU 73 Cb 0.07 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 2kha s LEU 73 CO 0.08 0.08 -0.12 -0.75 0.23 0.00 0.00 176.35 175.87 2kha s LYS 74 N -2.18 0.97 0.18 1.70 2.20 -1.26 -4.97 119.74 116.37 2kha s LYS 74 Ca 0.39 -0.42 -0.33 0.00 -0.36 0.00 0.00 55.97 55.25 2kha s LYS 74 Cb -0.14 -0.93 -0.14 0.00 -1.51 0.00 0.00 37.83 35.11 2kha s LYS 74 CO 0.20 0.25 1.40 -0.11 -0.36 0.00 0.00 175.35 176.73 2kha n LEU 75 N 2.81 2.57 0.00 5.43 0.00 -1.24 -1.58 117.00 124.99 2kha n LEU 75 Ca -0.14 1.12 0.00 0.00 0.00 0.00 0.00 56.01 56.99 2kha n LEU 75 Cb 0.56 -1.35 0.00 0.00 0.00 0.00 0.00 43.42 42.63 2kha n LEU 75 CO 0.25 -0.67 0.00 0.61 0.00 0.00 0.00 177.39 177.58 2kha n GLY 76 N 2.55 2.55 3.75 -3.96 0.00 -1.26 -4.82 105.19 104.01 2kha n GLY 76 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2kha n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kha s ASP 77 N 0.46 4.78 0.27 1.61 -1.08 -0.61 -4.77 116.67 117.32 2kha s ASP 77 Ca 0.00 2.19 0.09 0.00 -0.52 0.00 0.00 52.55 54.31 2kha s ASP 77 Cb 0.00 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 2kha s ASP 77 CO 0.00 -1.86 0.08 -0.75 0.52 0.00 0.00 175.17 173.16 2kha s LYS 78 N -3.89 2.52 0.08 4.34 2.47 -1.26 -1.42 119.74 122.57 2kha s LYS 78 Ca 0.71 -1.30 0.09 0.00 -1.56 0.00 0.00 55.97 53.92 2kha s LYS 78 Cb -0.25 -2.30 -0.03 0.00 -1.46 0.00 0.00 37.83 33.78 2kha s LYS 78 CO 0.41 0.36 -0.24 0.42 0.16 0.00 0.00 175.35 176.46 2kha s ILE 79 N -2.27 2.38 -0.08 5.43 1.09 0.30 -0.61 121.20 127.44 2kha s ILE 79 Ca 0.32 -1.50 -0.04 0.00 -1.10 0.00 0.00 60.65 58.34 2kha s ILE 79 Cb -0.07 -2.01 0.04 0.00 -1.06 0.00 0.00 42.46 39.37 2kha s ILE 79 CO 0.22 0.23 0.18 -0.31 -0.10 0.00 0.00 174.94 175.16 2kha s TYR 80 N -0.95 -0.22 0.29 3.97 2.02 -0.81 -1.93 117.35 119.71 2kha s TYR 80 Ca 0.14 0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 57.31 2kha s TYR 80 Cb -0.10 -0.05 0.05 0.00 -0.40 0.00 0.00 41.96 41.46 2kha s TYR 80 CO 0.05 -0.20 0.65 1.97 -1.57 0.00 0.00 175.55 176.46 2kha n PHE 81 N 4.28 -1.98 -3.71 2.71 1.16 -1.03 0.08 117.46 118.97 2kha n PHE 81 Ca -0.25 -1.42 -0.11 0.00 -1.87 0.00 0.00 57.45 53.80 2kha n PHE 81 Cb 0.52 0.71 -0.11 0.00 -1.61 0.00 0.00 39.48 38.99 2kha n PHE 81 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 2kha s TRP 82 N -3.48 -0.53 0.19 2.97 1.48 0.39 -1.26 118.94 118.70 2kha s TRP 82 Ca 0.13 1.18 0.03 0.00 -1.06 0.00 0.00 56.10 56.39 2kha s TRP 82 Cb -0.04 0.22 -0.03 0.00 -1.16 0.00 0.00 33.47 32.46 2kha s TRP 82 CO 0.09 -0.29 0.32 0.95 -4.06 0.00 0.00 176.95 173.95 2kha s THR 83 N 1.03 5.30 -0.00 0.66 -4.23 -1.07 -1.76 115.64 115.56 2kha s THR 83 Ca -0.07 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 2kha s THR 83 Cb -0.07 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.98 2kha s THR 83 CO -0.08 -0.19 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.33 2kha s TYR 84 N -1.84 0.09 0.13 3.99 5.04 0.33 -1.33 117.35 123.77 2kha s TYR 84 Ca 0.34 -0.00 0.03 0.00 -2.44 0.00 0.00 57.07 54.99 2kha s TYR 84 Cb -0.10 -0.09 -0.04 0.00 0.35 0.00 0.00 41.96 42.08 2kha s TYR 84 CO 0.29 -0.01 -0.06 0.54 -1.34 0.00 0.00 175.55 174.96 2kha s VAL 85 N 0.11 0.84 -0.22 3.14 0.11 -0.35 0.16 120.40 124.18 2kha s VAL 85 Ca -0.01 -1.98 -0.03 0.00 -2.93 0.00 0.00 61.98 57.03 2kha s VAL 85 Cb -0.02 -1.84 0.07 0.00 -1.53 0.00 0.00 36.38 33.06 2kha s VAL 85 CO -0.00 -0.74 0.07 -0.63 -3.33 0.00 0.00 175.10 170.47 2kha s ILE 86 N -3.54 0.39 -0.98 7.04 -1.09 0.30 -2.16 121.20 121.16 2kha s ILE 86 Ca 0.16 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.93 2kha s ILE 86 Cb 0.05 -1.04 0.33 0.00 -1.58 0.00 0.00 42.46 40.21 2kha s ILE 86 CO -0.01 -0.36 1.86 1.17 -1.23 0.00 0.00 174.94 176.37 2kha n LYS 87 N 5.09 4.85 -2.41 2.79 0.00 -1.00 0.34 118.16 127.82 2kha n LYS 87 Ca -0.07 -4.43 -0.01 0.00 0.00 0.00 0.00 58.31 53.80 2kha n LYS 87 Cb 0.46 -2.42 0.01 0.00 0.00 0.00 0.00 35.03 33.07 2kha n LYS 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kha n ASP 88 N -0.16 -5.24 -0.92 3.14 -0.08 -1.26 -3.86 116.55 108.16 2kha n ASP 88 Ca 0.48 -0.09 -0.09 0.00 -1.51 0.00 0.00 54.79 53.58 2kha n ASP 88 Cb 0.26 -3.44 -0.02 0.00 2.34 0.00 0.00 41.12 40.26 2kha n ASP 88 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kha n GLY 89 N -1.43 0.49 2.35 0.27 0.00 -1.26 -4.96 105.19 100.66 2kha n GLY 89 Ca -0.01 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 2kha n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kha n LEU 90 N -1.24 -0.63 -4.91 0.99 4.77 -1.25 -5.13 117.00 109.60 2kha n LEU 90 Ca -0.10 -4.32 -0.27 0.00 -0.03 0.00 0.00 56.01 51.29 2kha n LEU 90 Cb 0.46 0.65 0.00 0.00 -2.33 0.00 0.00 43.42 42.21 2kha n LEU 90 CO 0.14 2.00 0.44 -0.83 -1.33 0.00 0.00 177.39 177.81 2kha s GLY 91 N -0.83 1.51 0.02 -0.72 0.00 -1.25 -2.39 107.32 103.67 2kha s GLY 91 Ca 0.34 -0.57 -0.18 0.00 0.00 0.00 0.00 44.72 44.31 2kha s GLY 91 CO -0.15 -0.39 0.39 -0.19 0.00 0.00 0.00 173.10 172.76 2kha s TYR 92 N -2.76 -0.25 0.05 1.90 1.51 -0.92 -4.95 117.35 111.93 2kha s TYR 92 Ca 0.48 0.27 0.04 0.00 -1.01 0.00 0.00 57.07 56.85 2kha s TYR 92 Cb -0.10 0.18 -0.02 0.00 -0.11 0.00 0.00 41.96 41.91 2kha s TYR 92 CO 0.44 -0.51 -0.11 -0.98 -1.11 0.00 0.00 175.55 173.28 2kha s ARG 93 N -2.08 0.71 -1.02 -0.62 3.03 -1.25 -1.21 118.95 116.51 2kha s ARG 93 Ca -0.08 -0.76 -0.05 0.00 2.03 0.00 0.00 55.73 56.88 2kha s ARG 93 Cb -0.02 -0.64 0.27 0.00 -1.03 0.00 0.00 34.95 33.54 2kha s ARG 93 CO 0.00 0.14 1.11 0.94 -1.13 0.00 0.00 175.30 176.36 2kha n GLN 94 N 1.68 3.50 -1.94 3.89 7.27 -0.44 -4.78 117.38 126.55 2kha n GLN 94 Ca -0.20 -4.51 -0.30 0.00 0.07 0.00 0.00 57.00 52.07 2kha n GLN 94 Cb 0.55 -2.48 0.18 0.00 2.41 0.00 0.00 30.24 30.89 2kha n GLN 94 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2kha s ASP 95 N -0.14 3.26 -1.48 1.69 1.47 -1.26 -2.60 116.67 117.61 2kha s ASP 95 Ca 0.31 0.30 0.00 0.00 1.18 0.00 0.00 52.55 54.34 2kha s ASP 95 Cb -0.04 -0.39 0.00 0.00 -0.34 0.00 0.00 42.92 42.15 2kha s ASP 95 CO -0.04 -2.65 0.00 -3.20 0.68 0.00 0.00 175.17 169.97 2kha n ASN 96 N -3.71 -5.42 -4.78 2.11 2.85 -1.21 -4.92 115.26 100.18 2kha n ASN 96 Ca 0.15 0.34 -0.30 0.00 -0.11 0.00 0.00 54.58 54.66 2kha n ASN 96 Cb 0.60 -4.15 0.10 0.00 1.24 0.00 0.00 39.78 37.57 2kha n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2kha s GLY 97 N -2.58 1.63 0.03 8.20 0.00 -0.39 -4.91 107.32 109.30 2kha s GLY 97 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 2kha s GLY 97 CO 0.00 0.33 0.36 1.85 0.00 0.00 0.00 173.10 175.64 2kha s GLU 98 N -5.06 0.84 0.21 2.90 2.12 -1.26 -2.48 118.70 115.96 2kha s GLU 98 Ca 0.61 -0.37 -0.15 0.00 0.36 0.00 0.00 54.97 55.42 2kha s GLU 98 Cb -0.15 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.61 2kha s GLU 98 CO 0.55 -0.27 0.47 -0.46 -0.54 0.00 0.00 175.26 175.01 2kha s TRP 99 N -2.27 0.13 0.31 5.30 -0.00 -0.82 -4.94 118.94 116.65 2kha s TRP 99 Ca -0.07 -0.49 0.09 0.00 -0.00 0.00 0.00 56.10 55.63 2kha s TRP 99 Cb -0.02 0.26 -0.04 0.00 -0.00 0.00 0.00 33.47 33.67 2kha s TRP 99 CO -0.01 -0.92 0.08 -0.08 -0.00 0.00 0.00 176.95 176.02 2kha s THR 100 N -3.94 3.25 0.00 5.86 -1.32 -1.26 0.11 115.64 118.34 2kha s THR 100 Ca 0.15 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 58.85 2kha s THR 100 Cb -0.00 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 2kha s THR 100 CO 0.02 -0.27 0.03 0.52 -2.21 0.00 0.00 174.62 172.71 2kha n VAL 101 N -1.04 0.00 0.16 5.08 0.31 -0.51 -4.68 118.33 117.65 2kha n VAL 101 Ca -0.05 -0.45 0.10 0.00 -0.01 0.00 0.00 64.34 63.93 2kha n VAL 101 Cb 0.60 1.01 0.53 0.00 -0.91 0.00 0.00 33.84 35.07 2kha n VAL 101 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2kha n THR 102 N -0.84 1.12 -4.44 2.52 -2.24 -1.26 -3.71 114.28 105.44 2kha n THR 102 Ca 0.00 0.70 -0.22 0.00 -2.27 0.00 0.00 64.05 62.26 2kha n THR 102 Cb 0.00 -1.70 -0.10 0.00 -2.10 0.00 0.00 70.33 66.43 2kha n THR 102 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kha s GLU 103 N -3.49 1.57 0.01 -0.78 2.56 -1.26 -4.71 118.70 112.60 2kha s GLU 103 Ca -0.02 -1.76 -0.01 0.00 0.00 0.00 0.00 54.97 53.18 2kha s GLU 103 Cb 0.06 -1.40 -0.01 0.00 2.00 0.00 0.00 34.13 34.78 2kha s GLU 103 CO 0.19 0.17 0.01 -0.06 -0.56 0.00 0.00 175.26 175.00 2kha s PHE 104 N -2.80 0.17 0.00 5.30 0.08 -1.26 -4.48 117.98 114.99 2kha s PHE 104 Ca 0.28 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.98 2kha s PHE 104 Cb 0.00 -0.13 0.00 0.00 -0.57 0.00 0.00 43.02 42.32 2kha s PHE 104 CO 0.12 -0.17 0.00 1.33 -0.10 0.00 0.00 175.22 176.40 2kha n VAL 105 N 1.86 0.00 -4.30 -0.44 0.24 0.34 -3.74 118.33 112.30 2kha n VAL 105 Ca -0.22 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.76 2kha n VAL 105 Cb 0.56 -1.09 -0.09 0.00 -1.47 0.00 0.00 33.84 31.75 2kha n VAL 105 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2kha s ASN 106 N -1.00 4.99 0.66 -1.34 2.47 0.71 -4.04 114.94 117.39 2kha s ASN 106 Ca 0.00 -0.07 0.32 0.00 0.42 0.00 0.00 52.86 53.53 2kha s ASN 106 Cb 0.00 -1.25 1.73 0.00 -1.45 0.00 0.00 41.25 40.27 2kha s ASN 106 CO 0.00 0.26 1.97 1.05 -3.72 0.00 0.00 177.10 176.67 2kha h GLU 107 N 4.25 0.00 -0.00 0.43 4.11 -1.85 0.87 114.58 122.39 2kha h GLU 107 Ca -0.49 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.88 2kha h GLU 107 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kha h GLU 107 CO 0.57 0.00 -0.32 0.22 0.07 0.00 0.00 179.01 179.54 2kha h ASP 108 N 0.00 0.00 0.00 3.06 3.58 -1.94 -3.46 116.42 117.66 2kha h ASP 108 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kha h ASP 108 Cb 0.57 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2kha h ASP 108 CO 0.00 0.33 0.00 0.61 -2.88 0.00 0.00 179.24 177.30 2kha n GLY 109 N -0.60 1.78 3.06 -0.78 0.00 0.30 -5.14 105.19 103.82 2kha n GLY 109 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2kha n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kha s THR 110 N -2.00 0.17 -0.57 2.61 -4.23 -1.20 -4.90 115.64 105.52 2kha s THR 110 Ca 0.00 -1.40 -0.17 0.00 -1.18 0.00 0.00 61.69 58.94 2kha s THR 110 Cb 0.00 -1.03 -0.16 0.00 1.34 0.00 0.00 72.50 72.65 2kha s THR 110 CO 0.00 -0.77 1.61 -2.65 -0.54 0.00 0.00 174.62 172.27 2kha n PRO 111 N 0.66 0.05 0.00 3.99 -0.02 -1.26 0.26 135.00 138.68 2kha n PRO 111 Ca -0.18 -0.99 0.00 0.00 -2.02 0.00 0.00 63.50 60.31 2kha n PRO 111 Cb 0.59 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2kha n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kha n ALA 112 N 13.07 0.00 -3.99 3.55 0.00 -1.25 -4.77 120.51 127.12 2kha n ALA 112 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 2kha n ALA 112 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 2kha n ALA 112 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kha s ASP 113 N -3.15 4.75 0.41 0.00 -1.08 -1.26 -4.21 116.67 112.13 2kha s ASP 113 Ca 0.00 -2.26 0.17 0.00 -0.52 0.00 0.00 52.55 49.94 2kha s ASP 113 Cb 0.00 -1.65 0.87 0.00 -1.46 0.00 0.00 42.92 40.69 2kha s ASP 113 CO 0.00 -0.37 1.86 0.71 0.52 0.00 0.00 175.17 177.89 2kha h THR 114 N 6.45 1.03 -2.19 1.71 1.35 -1.97 -3.49 112.91 115.80 2kha h THR 114 Ca -0.05 -1.16 0.17 0.00 -0.55 0.00 0.00 66.41 64.83 2kha h THR 114 Cb 1.01 1.66 -0.04 0.00 -1.73 0.00 0.00 68.15 69.04 2kha h THR 114 CO 0.55 0.31 -0.23 -1.20 -0.25 0.00 0.00 175.52 174.70 2kha n SER 115 N -3.88 -6.10 -2.53 5.36 7.64 -1.26 -5.01 113.62 107.84 2kha n SER 115 Ca -0.02 0.69 -0.01 0.00 1.01 0.00 0.00 58.87 60.54 2kha n SER 115 Cb 0.39 -1.94 0.00 0.00 -1.01 0.00 0.00 64.21 61.65 2kha n SER 115 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kha n LEU 116 N 0.00 -7.03 -3.69 -3.43 0.00 -1.26 -5.08 117.00 96.51 2kha n LEU 116 Ca 0.00 1.08 -0.14 0.00 0.00 0.00 0.00 56.01 56.95 2kha n LEU 116 Cb 0.29 -2.97 -0.09 0.00 0.00 0.00 0.00 43.42 40.65 2kha n LEU 116 CO 0.00 -2.58 0.18 -0.70 0.00 0.00 0.00 177.39 174.30 2kha s GLU 117 N -1.52 0.66 0.00 1.96 2.12 -1.26 -5.30 118.70 115.37 2kha s GLU 117 Ca 0.03 0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.82 2kha s GLU 117 Cb -0.01 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.70 2kha s GLU 117 CO 0.65 -0.13 0.32 -2.30 -0.54 0.00 0.00 175.26 173.27