#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 1.35 0.28 1.08 5.04 -1.26 -5.09 117.35 118.75 2kha s TYR 7 Ca 0.00 0.54 0.10 0.00 -2.44 0.00 0.00 57.07 55.27 2kha s TYR 7 Cb 0.00 -3.64 -0.05 0.00 0.35 0.00 0.00 41.96 38.62 2kha s TYR 7 CO 0.00 -3.12 -0.15 0.08 -1.34 0.00 0.00 175.55 171.02 2kha s VAL 8 N -3.34 2.19 0.14 3.14 1.01 -1.26 -5.08 120.40 117.20 2kha s VAL 8 Ca 0.70 -2.29 -0.31 0.00 0.00 0.00 0.00 61.98 60.07 2kha s VAL 8 Cb -0.09 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 2kha s VAL 8 CO 0.55 -0.38 1.51 -0.69 0.00 0.00 0.00 175.10 176.08 2kha s VAL 9 N -2.68 2.89 0.16 2.92 1.01 -1.26 -5.01 120.40 118.42 2kha s VAL 9 Ca 0.29 0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 2kha s VAL 9 Cb -0.01 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 33.01 2kha s VAL 9 CO 0.13 0.05 0.11 -0.81 0.00 0.00 0.00 175.10 174.58 2kha n PRO 10 N 4.03 -1.97 -3.93 2.72 -0.04 -1.26 -4.94 135.00 129.60 2kha n PRO 10 Ca 0.13 -0.18 -0.35 0.00 -0.04 0.00 0.00 63.50 63.06 2kha n PRO 10 Cb 0.40 -0.21 -0.14 0.00 -0.04 0.00 0.00 33.50 33.51 2kha n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kha s SER 11 N -2.03 4.54 -0.53 3.54 0.15 -1.26 -4.76 113.70 113.35 2kha s SER 11 Ca 0.08 -0.98 -0.23 0.00 0.70 0.00 0.00 55.95 55.51 2kha s SER 11 Cb -0.01 -1.69 0.04 0.00 -1.71 0.00 0.00 66.02 62.65 2kha s SER 11 CO 0.06 -0.17 0.86 0.00 1.20 0.00 0.00 173.24 175.19 2kha s ALA 12 N 1.31 3.22 0.48 5.45 0.00 -1.25 -3.79 121.76 127.18 2kha s ALA 12 Ca -0.01 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 2kha s ALA 12 Cb -0.18 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 2kha s ALA 12 CO -0.03 -2.24 0.74 0.21 0.00 0.00 0.00 175.76 174.44 2kha s LYS 13 N 3.59 3.11 0.09 0.00 2.20 0.29 -4.85 119.74 124.17 2kha s LYS 13 Ca 0.27 -0.27 -0.10 0.00 -0.36 0.00 0.00 55.97 55.52 2kha s LYS 13 Cb -0.14 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 2kha s LYS 13 CO 0.18 -0.35 0.22 -0.51 -0.36 0.00 0.00 175.35 174.54 2kha s LEU 14 N -4.68 1.28 -0.10 5.43 1.02 -1.26 -0.96 118.68 119.41 2kha s LEU 14 Ca 0.49 -0.59 -0.12 0.00 0.02 0.00 0.00 54.13 53.93 2kha s LEU 14 Cb -0.10 1.15 0.03 0.00 0.02 0.00 0.00 46.19 47.29 2kha s LEU 14 CO 0.40 -0.74 0.32 -1.61 0.02 0.00 0.00 176.35 174.74 2kha s GLU 15 N -3.79 0.41 -0.57 1.70 0.41 -0.01 -4.96 118.70 111.88 2kha s GLU 15 Ca 0.04 0.35 -0.24 0.00 -0.41 0.00 0.00 54.97 54.72 2kha s GLU 15 Cb 0.04 0.20 0.05 0.00 -1.78 0.00 0.00 34.13 32.64 2kha s GLU 15 CO -0.11 -0.06 0.93 0.00 -0.49 0.00 0.00 175.26 175.53 2kha s ALA 16 N -0.05 3.16 0.44 5.21 0.00 -1.25 -1.90 121.76 127.36 2kha s ALA 16 Ca -0.02 -1.40 -0.23 0.00 0.00 0.00 0.00 51.96 50.31 2kha s ALA 16 Cb -0.03 -3.75 -0.08 0.00 0.00 0.00 0.00 23.12 19.27 2kha s ALA 16 CO 0.01 -2.46 1.11 0.42 0.00 0.00 0.00 175.76 174.84 2kha s ILE 17 N 3.92 3.39 -0.06 0.00 -1.09 -1.22 0.15 121.20 126.29 2kha s ILE 17 Ca 0.28 1.04 -0.02 0.00 -2.23 0.00 0.00 60.65 59.72 2kha s ILE 17 Cb -0.14 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 2kha s ILE 17 CO 0.17 -0.01 0.05 -0.47 -1.23 0.00 0.00 174.94 173.44 2kha s TYR 18 N -1.61 3.26 -1.33 3.97 5.04 -1.05 -2.35 117.35 123.29 2kha s TYR 18 Ca 0.61 0.24 0.26 0.00 -2.44 0.00 0.00 57.07 55.74 2kha s TYR 18 Cb -0.25 -1.78 0.67 0.00 0.35 0.00 0.00 41.96 40.94 2kha s TYR 18 CO 0.31 0.54 1.51 -0.35 -1.34 0.00 0.00 175.55 176.22 2kha n PRO 19 N 1.73 0.36 -3.18 4.97 -0.04 -1.26 -4.56 135.00 133.02 2kha n PRO 19 Ca -0.17 -0.20 0.02 0.00 -0.04 0.00 0.00 63.50 63.11 2kha n PRO 19 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 2kha n PRO 19 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2kha s ARG 20 N -2.78 0.69 0.00 0.54 1.70 -1.18 -4.94 118.95 112.99 2kha s ARG 20 Ca 0.17 0.07 0.00 0.00 -0.47 0.00 0.00 55.73 55.50 2kha s ARG 20 Cb 0.18 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 2kha s ARG 20 CO 0.61 -1.10 0.00 0.41 -1.08 0.00 0.00 175.30 174.14 2kha n GLY 21 N 4.81 2.35 3.43 3.88 0.00 -0.99 -4.09 105.19 114.58 2kha n GLY 21 Ca 0.08 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.07 -0.31 0.99 2.96 0.33 -3.42 118.68 119.17 2kha s LEU 22 Ca 0.00 0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 54.62 2kha s LEU 22 Cb 0.00 1.96 0.12 0.00 0.50 0.00 0.00 46.19 48.77 2kha s LEU 22 CO 0.00 -0.39 0.17 -0.60 -1.32 0.00 0.00 176.35 174.20 2kha s ARG 23 N -0.59 0.32 0.11 1.98 3.00 -0.80 -1.66 118.95 121.32 2kha s ARG 23 Ca -0.07 -0.80 0.05 0.00 -1.00 0.00 0.00 55.73 53.90 2kha s ARG 23 Cb -0.03 -1.18 -0.04 0.00 0.00 0.00 0.00 34.95 33.70 2kha s ARG 23 CO 0.05 -1.09 0.05 0.08 0.00 0.00 0.00 175.30 174.39 2kha s VAL 24 N 1.74 4.24 -0.12 7.11 1.01 -0.92 -0.83 120.40 132.63 2kha s VAL 24 Ca 0.12 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 2kha s VAL 24 Cb -0.18 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.17 2kha s VAL 24 CO -0.23 0.05 0.47 -0.44 0.00 0.00 0.00 175.10 174.96 2kha s SER 25 N -2.56 -0.45 -0.03 3.32 0.01 -0.13 -1.22 113.70 112.64 2kha s SER 25 Ca 0.28 0.70 0.01 0.00 1.31 0.00 0.00 55.95 58.25 2kha s SER 25 Cb -0.11 0.74 0.02 0.00 0.21 0.00 0.00 66.02 66.88 2kha s SER 25 CO 0.20 -0.32 -0.01 0.27 0.41 0.00 0.00 173.24 173.80 2kha s ILE 26 N -0.40 0.24 -0.41 1.44 -5.25 -1.02 0.10 121.20 115.91 2kha s ILE 26 Ca -0.05 0.01 -0.27 0.00 -0.99 0.00 0.00 60.65 59.35 2kha s ILE 26 Cb -0.03 -0.30 -0.04 0.00 2.95 0.00 0.00 42.46 45.03 2kha s ILE 26 CO 0.03 0.14 2.13 -2.16 -1.79 0.00 0.00 174.94 173.29 2kha s PRO 27 N 0.79 2.73 0.72 0.37 0.04 -1.25 -2.09 135.00 136.31 2kha s PRO 27 Ca -0.08 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 2kha s PRO 27 Cb -0.12 -4.41 0.03 0.00 0.04 0.00 0.00 34.50 30.04 2kha s PRO 27 CO -0.01 -2.57 1.09 0.34 0.04 0.00 0.00 177.00 175.89 2kha s ASP 28 N 9.13 4.87 -0.30 6.66 2.15 0.70 -4.72 116.67 135.15 2kha s ASP 28 Ca 0.89 1.86 0.18 0.00 0.43 0.00 0.00 52.55 55.92 2kha s ASP 28 Cb -0.22 -2.53 0.47 0.00 -0.30 0.00 0.00 42.92 40.34 2kha s ASP 28 CO 0.29 -1.79 1.23 0.47 -0.17 0.00 0.00 175.17 175.19 2kha n ASP 29 N -3.02 0.46 -0.95 -0.34 9.92 -1.26 -4.77 116.55 116.58 2kha n ASP 29 Ca 0.09 -2.21 -0.01 0.00 -0.53 0.00 0.00 54.79 52.13 2kha n ASP 29 Cb 0.53 -0.05 0.01 0.00 -0.64 0.00 0.00 41.12 40.96 2kha n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kha n GLY 30 N -0.78 0.60 1.30 0.44 0.00 -1.26 -5.05 105.19 100.44 2kha n GLY 30 Ca -0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.88 -3.63 0.00 1.61 3.72 -1.26 -4.68 117.46 111.34 2kha n PHE 31 Ca -0.01 -0.49 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 2kha n PHE 31 Cb 0.51 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 -3.13 1.60 -3.75 4.37 2.88 1.37 -4.84 113.62 112.11 2kha n SER 32 Ca 0.06 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.45 2kha n SER 32 Cb 0.20 0.22 -0.15 0.00 -0.75 0.00 0.00 64.21 63.72 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 -1.62 0.82 -0.49 2.46 2.96 -0.94 -4.58 118.68 117.29 2kha s LEU 33 Ca 0.00 0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 2kha s LEU 33 Cb 0.00 0.18 0.13 0.00 0.50 0.00 0.00 46.19 47.00 2kha s LEU 33 CO 0.00 -0.15 0.23 0.12 -1.32 0.00 0.00 176.35 175.23 2kha s PHE 34 N 1.19 3.18 -0.06 5.38 5.36 -0.74 0.31 117.98 132.61 2kha s PHE 34 Ca -0.08 -3.11 -0.19 0.00 -0.96 0.00 0.00 56.93 52.59 2kha s PHE 34 Cb -0.12 -2.78 -0.05 0.00 -0.34 0.00 0.00 43.02 39.73 2kha s PHE 34 CO -0.05 -0.77 0.52 0.00 -1.46 0.00 0.00 175.22 173.47 2kha s ALA 35 N -0.10 3.49 -0.14 11.12 0.00 0.51 -1.06 121.76 135.58 2kha s ALA 35 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.04 2kha s ALA 35 Cb -0.25 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 2kha s ALA 35 CO -0.01 0.10 -0.17 0.12 0.00 0.00 0.00 175.76 175.80 2kha s PHE 36 N 0.17 2.75 -0.14 0.00 2.19 -0.97 0.87 117.98 122.84 2kha s PHE 36 Ca 0.28 -1.03 -0.00 0.00 0.33 0.00 0.00 56.93 56.51 2kha s PHE 36 Cb -0.16 -1.85 0.03 0.00 -1.31 0.00 0.00 43.02 39.72 2kha s PHE 36 CO 0.13 -0.45 -0.08 -1.01 1.83 0.00 0.00 175.22 175.64 2kha s HIS 37 N 0.70 1.73 -0.15 10.12 3.76 -0.71 -2.20 115.29 128.53 2kha s HIS 37 Ca -0.08 -1.00 -0.13 0.00 -0.15 0.00 0.00 55.06 53.70 2kha s HIS 37 Cb -0.16 -1.35 0.04 0.00 1.11 0.00 0.00 32.58 32.23 2kha s HIS 37 CO 0.01 -0.59 0.40 0.20 -0.85 0.00 0.00 174.74 173.92 2kha s GLY 38 N 1.63 -0.31 0.05 -2.22 0.00 -0.74 -0.07 107.32 105.66 2kha s GLY 38 Ca 0.03 1.20 0.04 0.00 0.00 0.00 0.00 44.72 45.99 2kha s GLY 38 CO -0.08 1.09 -0.03 1.25 0.00 0.00 0.00 173.10 175.33 2kha s LYS 39 N 0.40 2.54 -0.22 2.90 2.20 0.18 0.20 119.74 127.94 2kha s LYS 39 Ca -0.02 -0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 54.71 2kha s LYS 39 Cb -0.04 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.71 2kha s LYS 39 CO -0.02 0.57 0.17 -1.17 -0.36 0.00 0.00 175.35 174.54 2kha s LEU 40 N -1.87 4.17 -1.16 5.43 2.96 -1.26 -2.14 118.68 124.80 2kha s LEU 40 Ca 0.21 0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 54.28 2kha s LEU 40 Cb -0.11 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 2kha s LEU 40 CO 0.13 0.11 0.88 -3.20 -1.32 0.00 0.00 176.35 172.95 2kha n ASN 41 N 3.92 -3.91 0.00 3.68 5.15 -0.96 -4.98 115.26 118.16 2kha n ASN 41 Ca -0.15 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 2kha n ASN 41 Cb 0.52 -4.72 0.00 0.00 -0.53 0.00 0.00 39.78 35.05 2kha n ASN 41 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2kha n GLU 42 N -3.84 0.00 -0.06 1.20 2.13 -1.26 -5.07 120.64 113.74 2kha n GLU 42 Ca -0.19 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.58 2kha n GLU 42 Cb 0.64 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.40 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 -1.88 -4.26 5.31 1.02 -1.26 -4.66 120.64 114.91 2kha n GLU 43 Ca 0.00 -0.24 -0.16 0.00 -0.02 0.00 0.00 57.16 56.73 2kha n GLU 43 Cb 0.00 -0.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.97 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 -2.95 1.10 -0.33 3.49 -1.94 -1.26 -4.97 119.30 112.43 2kha s MET 44 Ca 0.11 -1.39 0.10 0.00 -1.71 0.00 0.00 55.69 52.80 2kha s MET 44 Cb -0.02 -0.82 0.35 0.00 2.01 0.00 0.00 34.83 36.35 2kha s MET 44 CO 0.09 0.13 1.37 -3.47 -0.01 0.00 0.00 175.02 173.14 2kha n ASP 45 N 0.05 -1.47 0.00 3.03 -0.08 -1.26 -5.00 116.55 111.82 2kha n ASP 45 Ca -0.12 -2.16 0.00 0.00 -1.51 0.00 0.00 54.79 51.00 2kha n ASP 45 Cb 0.59 0.76 0.00 0.00 2.34 0.00 0.00 41.12 44.81 2kha n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kha n GLY 46 N -1.06 3.68 3.34 0.27 0.00 -1.26 -5.03 105.19 105.14 2kha n GLY 46 Ca -0.12 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.44 -4.65 0.99 4.77 -1.26 -4.85 117.00 110.55 2kha n LEU 47 Ca 0.00 -0.56 -0.28 0.00 -0.03 0.00 0.00 56.01 55.13 2kha n LEU 47 Cb 0.00 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 2kha n LEU 47 CO 0.00 -1.39 -0.35 -1.61 -1.33 0.00 0.00 177.39 172.71 2kha s GLU 48 N 6.64 2.39 0.64 3.23 0.41 -1.26 -5.00 118.70 125.74 2kha s GLU 48 Ca 1.21 -1.01 0.32 0.00 -0.41 0.00 0.00 54.97 55.08 2kha s GLU 48 Cb -0.78 -2.40 1.78 0.00 -1.78 0.00 0.00 34.13 30.95 2kha s GLU 48 CO 0.52 0.49 2.05 0.00 -0.49 0.00 0.00 175.26 177.83 2kha h ALA 49 N 3.10 1.48 -0.34 5.21 0.00 -2.00 -3.46 119.26 123.26 2kha h ALA 49 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kha h ALA 49 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kha h ALA 49 CO 0.57 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2kha n GLY 50 N -1.27 2.81 0.05 0.00 0.00 -1.26 -4.51 105.19 101.02 2kha n GLY 50 Ca -0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 13.31 0.00 -1.64 1.61 8.25 0.52 -4.79 115.22 132.49 2kha n HIS 51 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 2kha n HIS 51 Cb 0.00 0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.03 1.22 -0.57 4.41 0.51 0.92 -4.73 118.94 120.67 2kha s TRP 52 Ca 0.00 1.76 0.03 0.00 -2.12 0.00 0.00 56.10 55.77 2kha s TRP 52 Cb 0.00 -3.54 0.14 0.00 -0.81 0.00 0.00 33.47 29.26 2kha s TRP 52 CO 0.00 -1.73 0.33 0.00 -0.51 0.00 0.00 176.95 175.04 2kha s ALA 53 N 13.80 3.44 -0.08 0.98 0.00 -1.21 -1.79 121.76 136.90 2kha s ALA 53 Ca 0.90 -3.36 -0.03 0.00 0.00 0.00 0.00 51.96 49.47 2kha s ALA 53 Cb -0.13 -2.25 0.04 0.00 0.00 0.00 0.00 23.12 20.78 2kha s ALA 53 CO 0.10 -2.05 0.16 0.50 0.00 0.00 0.00 175.76 174.47 2kha s ARG 54 N -0.43 0.06 -0.10 0.00 3.52 -0.94 -5.00 118.95 116.07 2kha s ARG 54 Ca 0.18 0.49 -0.22 0.00 -0.13 0.00 0.00 55.73 56.05 2kha s ARG 54 Cb -0.22 -0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 32.91 2kha s ARG 54 CO -0.03 -0.25 0.66 0.16 -0.81 0.00 0.00 175.30 175.03 2kha s ASP 55 N 1.84 6.89 0.16 -2.12 -4.77 -1.26 -2.29 116.67 115.11 2kha s ASP 55 Ca -0.02 1.07 0.04 0.00 -3.30 0.00 0.00 52.55 50.34 2kha s ASP 55 Cb -0.12 -2.38 -0.04 0.00 -1.09 0.00 0.00 42.92 39.29 2kha s ASP 55 CO -0.06 -0.13 0.19 -0.63 0.70 0.00 0.00 175.17 175.23 2kha s ILE 56 N 1.01 4.79 -0.33 2.11 1.01 -0.22 -4.95 121.20 124.62 2kha s ILE 56 Ca 0.34 -0.93 0.16 0.00 0.00 0.00 0.00 60.65 60.22 2kha s ILE 56 Cb -0.17 -3.45 0.45 0.00 0.01 0.00 0.00 42.46 39.30 2kha s ILE 56 CO 0.15 -0.10 1.21 0.41 0.00 0.00 0.00 174.94 176.62 2kha n THR 57 N -0.40 0.63 -2.88 2.92 -1.04 -1.26 -1.79 114.28 110.47 2kha n THR 57 Ca -0.08 -2.23 0.03 0.00 -2.04 0.00 0.00 64.05 59.74 2kha n THR 57 Cb 0.54 0.99 0.00 0.00 -1.82 0.00 0.00 70.33 70.05 2kha n THR 57 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kha s LYS 58 N -1.87 0.13 0.74 -2.82 2.20 -1.26 -5.04 119.74 111.81 2kha s LYS 58 Ca 0.22 -0.00 -0.10 0.00 -0.36 0.00 0.00 55.97 55.73 2kha s LYS 58 Cb 0.41 0.03 0.16 0.00 -1.51 0.00 0.00 37.83 36.91 2kha s LYS 58 CO -0.05 -0.20 0.35 -2.30 -0.36 0.00 0.00 175.35 172.80 2kha n PRO 59 N 4.11 -1.61 -0.04 4.03 -0.02 -1.26 -4.83 135.00 135.38 2kha n PRO 59 Ca 0.07 -0.60 -0.07 0.00 -2.02 0.00 0.00 63.50 60.88 2kha n PRO 59 Cb 0.62 -1.04 -0.03 0.00 -0.02 0.00 0.00 33.50 33.02 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 -1.98 0.19 0.00 -0.52 3.00 0.39 -4.90 118.16 114.33 2kha n LYS 60 Ca 0.06 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 2kha n LYS 60 Cb 0.25 -0.98 0.00 0.00 0.00 0.00 0.00 35.03 34.29 2kha n LYS 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2kha n GLU 61 N -3.04 0.00 -0.59 1.64 2.13 -1.26 -4.90 120.64 114.61 2kha n GLU 61 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 2kha n GLU 61 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.34 2kha n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kha n GLY 62 N 0.00 1.01 3.45 8.31 0.00 -1.26 -4.91 105.19 111.79 2kha n GLY 62 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2kha n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kha s ARG 63 N -0.25 0.92 0.38 1.61 0.52 -1.26 -0.22 118.95 120.64 2kha s ARG 63 Ca 0.00 0.24 -0.05 0.00 -0.52 0.00 0.00 55.73 55.40 2kha s ARG 63 Cb 0.00 0.43 -0.05 0.00 0.52 0.00 0.00 34.95 35.85 2kha s ARG 63 CO 0.00 -0.26 0.66 -1.58 0.02 0.00 0.00 175.30 174.14 2kha s TRP 64 N -1.00 3.51 -0.14 -0.53 0.52 -0.89 -0.46 118.94 119.95 2kha s TRP 64 Ca -0.10 0.71 -0.02 0.00 0.02 0.00 0.00 56.10 56.71 2kha s TRP 64 Cb -0.02 -2.18 0.04 0.00 -1.15 0.00 0.00 33.47 30.16 2kha s TRP 64 CO 0.07 -0.02 0.01 0.99 0.02 0.00 0.00 176.95 178.03 2kha s THR 65 N -2.37 0.49 -0.73 2.01 2.01 -1.26 -2.42 115.64 113.37 2kha s THR 65 Ca 0.45 -0.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.12 2kha s THR 65 Cb -0.10 -0.83 0.19 0.00 0.01 0.00 0.00 72.50 71.77 2kha s THR 65 CO 0.36 0.02 0.60 0.12 -0.69 0.00 0.00 174.62 175.03 2kha s PHE 66 N 1.90 3.58 0.06 4.92 5.36 -0.36 -4.94 117.98 128.51 2kha s PHE 66 Ca 0.02 -2.47 -0.09 0.00 -0.96 0.00 0.00 56.93 53.42 2kha s PHE 66 Cb -0.15 -3.45 -0.06 0.00 -0.34 0.00 0.00 43.02 39.03 2kha s PHE 66 CO -0.07 -0.89 0.38 1.03 -1.46 0.00 0.00 175.22 174.21 2kha s ARG 67 N -0.10 3.74 -0.20 10.12 0.52 -1.26 -2.16 118.95 129.60 2kha s ARG 67 Ca 0.18 0.14 -0.04 0.00 -0.52 0.00 0.00 55.73 55.49 2kha s ARG 67 Cb -0.15 -3.02 0.07 0.00 0.52 0.00 0.00 34.95 32.36 2kha s ARG 67 CO -0.06 0.58 0.08 0.34 0.02 0.00 0.00 175.30 176.26 2kha s ASP 68 N -1.73 2.72 -0.13 0.23 -1.08 -0.66 -4.91 116.67 111.11 2kha s ASP 68 Ca 0.32 -0.80 0.05 0.00 -0.52 0.00 0.00 52.55 51.60 2kha s ASP 68 Cb -0.14 -0.39 0.36 0.00 -1.46 0.00 0.00 42.92 41.30 2kha s ASP 68 CO 0.18 -0.35 1.16 0.54 0.52 0.00 0.00 175.17 177.22 2kha n ARG 69 N 5.19 2.52 -1.35 4.34 5.12 -1.26 0.12 116.66 131.33 2kha n ARG 69 Ca -0.07 -1.44 0.03 0.00 -1.93 0.00 0.00 57.85 54.43 2kha n ARG 69 Cb 0.47 -1.78 0.01 0.00 -1.16 0.00 0.00 32.46 30.00 2kha n ARG 69 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2kha n ASN 70 N 0.16 0.77 -4.56 0.55 0.23 -1.26 -4.70 115.26 106.45 2kha n ASN 70 Ca 0.16 -1.99 -0.41 0.00 -0.53 0.00 0.00 54.58 51.81 2kha n ASN 70 Cb 0.77 -0.25 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kha s ALA 71 N 0.00 3.49 -1.15 -2.53 0.00 -1.25 -4.98 121.76 115.35 2kha s ALA 71 Ca 0.28 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.00 2kha s ALA 71 Cb 0.32 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 2kha s ALA 71 CO -0.14 -1.11 1.93 1.17 0.00 0.00 0.00 175.76 177.61 2kha n LYS 72 N 5.59 2.14 -3.71 0.00 4.81 -1.26 -4.07 118.16 121.66 2kha n LYS 72 Ca -0.06 -2.52 -0.36 0.00 -0.87 0.00 0.00 58.31 54.49 2kha n LYS 72 Cb 0.49 -3.40 -0.06 0.00 0.02 0.00 0.00 35.03 32.08 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 5.56 4.40 0.01 3.14 1.43 -1.26 -5.10 118.68 126.86 2kha s LEU 73 Ca 0.59 0.67 0.04 0.00 -1.03 0.00 0.00 54.13 54.39 2kha s LEU 73 Cb 0.07 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 2kha s LEU 73 CO 0.09 0.31 -0.11 -1.59 0.23 0.00 0.00 176.35 175.27 2kha s LYS 74 N -1.39 0.85 0.18 1.70 -2.85 -1.26 -4.97 119.74 112.00 2kha s LYS 74 Ca 0.24 -0.51 -0.33 0.00 -1.00 0.00 0.00 55.97 54.37 2kha s LYS 74 Cb -0.14 -0.82 -0.13 0.00 -2.06 0.00 0.00 37.83 34.68 2kha s LYS 74 CO 0.12 0.22 1.62 -0.11 0.10 0.00 0.00 175.35 177.30 2kha n LEU 75 N 2.47 3.40 0.00 2.77 0.00 -1.25 -1.78 117.00 122.62 2kha n LEU 75 Ca -0.15 1.08 0.00 0.00 0.00 0.00 0.00 56.01 56.93 2kha n LEU 75 Cb 0.56 -1.48 0.00 0.00 0.00 0.00 0.00 43.42 42.50 2kha n LEU 75 CO 0.24 -0.14 0.00 0.61 0.00 0.00 0.00 177.39 178.10 2kha n GLY 76 N 3.54 2.37 3.75 -3.96 0.00 -1.25 -4.83 105.19 104.81 2kha n GLY 76 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 0.13 4.92 0.26 1.61 -1.08 -0.73 -4.76 116.67 117.01 2kha s ASP 77 Ca 0.00 2.21 0.09 0.00 -0.52 0.00 0.00 52.55 54.33 2kha s ASP 77 Cb 0.00 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.84 2kha s ASP 77 CO 0.00 -1.77 0.06 -0.75 0.52 0.00 0.00 175.17 173.23 2kha s LYS 78 N -3.78 2.50 0.03 4.34 2.20 -1.26 -1.32 119.74 122.45 2kha s LYS 78 Ca 0.72 -1.30 0.06 0.00 -0.36 0.00 0.00 55.97 55.09 2kha s LYS 78 Cb -0.26 -2.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 2kha s LYS 78 CO 0.39 0.38 -0.15 0.42 -0.36 0.00 0.00 175.35 176.03 2kha s ILE 79 N -2.26 3.00 -0.10 5.43 1.09 0.33 -2.26 121.20 126.44 2kha s ILE 79 Ca 0.32 -1.06 -0.04 0.00 -1.10 0.00 0.00 60.65 58.77 2kha s ILE 79 Cb -0.07 -2.27 0.05 0.00 -1.06 0.00 0.00 42.46 39.11 2kha s ILE 79 CO 0.22 0.37 0.19 -0.31 -0.10 0.00 0.00 174.94 175.30 2kha s TYR 80 N -0.93 -0.25 0.09 3.97 2.02 -0.91 -2.08 117.35 119.26 2kha s TYR 80 Ca 0.15 0.71 -0.03 0.00 -0.37 0.00 0.00 57.07 57.53 2kha s TYR 80 Cb -0.11 -0.17 0.01 0.00 -0.40 0.00 0.00 41.96 41.30 2kha s TYR 80 CO 0.06 -0.28 0.18 1.97 -1.57 0.00 0.00 175.55 175.90 2kha n PHE 81 N 5.19 -1.24 -3.68 2.71 -1.74 -1.00 0.49 117.46 118.18 2kha n PHE 81 Ca -0.08 -0.46 -0.11 0.00 -0.56 0.00 0.00 57.45 56.24 2kha n PHE 81 Cb 0.50 0.21 -0.09 0.00 1.52 0.00 0.00 39.48 41.62 2kha n PHE 81 CO 0.00 0.00 0.00 1.67 -0.56 0.00 0.00 176.76 177.87 2kha s TRP 82 N -6.98 -0.73 0.34 2.97 1.48 0.89 -1.90 118.94 115.00 2kha s TRP 82 Ca 0.04 1.61 0.07 0.00 -1.06 0.00 0.00 56.10 56.76 2kha s TRP 82 Cb -0.01 0.34 -0.01 0.00 -1.16 0.00 0.00 33.47 32.64 2kha s TRP 82 CO 0.03 -0.37 0.48 0.95 -4.06 0.00 0.00 176.95 173.97 2kha s THR 83 N 1.00 4.03 -0.23 0.66 -4.23 -1.06 -1.75 115.64 114.06 2kha s THR 83 Ca -0.06 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.43 2kha s THR 83 Cb -0.06 -3.39 0.11 0.00 1.34 0.00 0.00 72.50 70.50 2kha s THR 83 CO -0.09 -0.15 0.27 -0.47 -0.54 0.00 0.00 174.62 173.64 2kha s TYR 84 N -2.19 -0.45 0.33 3.99 5.04 0.25 -1.83 117.35 122.50 2kha s TYR 84 Ca 0.45 0.30 0.07 0.00 -2.44 0.00 0.00 57.07 55.45 2kha s TYR 84 Cb -0.10 -0.29 -0.02 0.00 0.35 0.00 0.00 41.96 41.91 2kha s TYR 84 CO 0.31 -0.69 0.38 0.54 -1.34 0.00 0.00 175.55 174.75 2kha s VAL 85 N 2.39 3.94 -0.23 3.14 0.11 0.15 0.19 120.40 130.09 2kha s VAL 85 Ca 0.09 -1.16 -0.03 0.00 -2.93 0.00 0.00 61.98 57.95 2kha s VAL 85 Cb -0.15 -3.35 0.10 0.00 -1.53 0.00 0.00 36.38 31.46 2kha s VAL 85 CO -0.17 -0.18 0.23 -0.63 -3.33 0.00 0.00 175.10 171.02 2kha s ILE 86 N -2.21 -0.32 -0.77 7.04 -1.09 0.15 -1.65 121.20 122.34 2kha s ILE 86 Ca 0.42 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.56 2kha s ILE 86 Cb -0.08 -0.78 0.38 0.00 -1.58 0.00 0.00 42.46 40.40 2kha s ILE 86 CO 0.29 -0.31 2.05 2.29 -1.23 0.00 0.00 174.94 178.03 2kha n LYS 87 N 5.31 2.71 -1.42 2.79 2.85 -1.05 0.41 118.16 129.76 2kha n LYS 87 Ca -0.05 -3.39 0.00 0.00 -1.05 0.00 0.00 58.31 53.83 2kha n LYS 87 Cb 0.48 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.60 2kha n LYS 87 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kha n ASP 88 N -0.62 -1.89 -0.95 -5.58 -0.08 -1.26 -4.43 116.55 101.73 2kha n ASP 88 Ca 0.57 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.73 2kha n ASP 88 Cb 0.39 -0.95 -0.04 0.00 2.34 0.00 0.00 41.12 42.86 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 -0.59 1.06 2.49 0.27 0.00 -1.26 -4.94 105.19 102.21 2kha n GLY 89 Ca 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.36 -1.30 -4.89 0.99 4.77 -1.26 -5.14 117.00 108.81 2kha n LEU 90 Ca -0.12 -3.98 -0.30 0.00 -0.03 0.00 0.00 56.01 51.58 2kha n LEU 90 Cb 0.41 0.61 0.02 0.00 -2.33 0.00 0.00 43.42 42.14 2kha n LEU 90 CO 0.17 1.89 0.66 -0.83 -1.33 0.00 0.00 177.39 177.95 2kha s GLY 91 N 0.19 1.62 -0.07 -0.72 0.00 -1.25 -2.53 107.32 104.55 2kha s GLY 91 Ca 0.32 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.70 2kha s GLY 91 CO -0.16 -0.02 0.18 -0.19 0.00 0.00 0.00 173.10 172.91 2kha s TYR 92 N -3.13 -0.21 -0.01 1.90 2.02 -0.66 -4.92 117.35 112.34 2kha s TYR 92 Ca 0.54 0.55 0.07 0.00 -0.37 0.00 0.00 57.07 57.86 2kha s TYR 92 Cb -0.11 0.01 -0.02 0.00 -0.40 0.00 0.00 41.96 41.45 2kha s TYR 92 CO 0.51 -0.15 -0.21 -0.98 -1.57 0.00 0.00 175.55 173.15 2kha s ARG 93 N 0.72 1.70 -1.08 -0.62 1.70 -1.25 0.33 118.95 120.46 2kha s ARG 93 Ca -0.05 -0.76 -0.05 0.00 -0.47 0.00 0.00 55.73 54.40 2kha s ARG 93 Cb -0.07 -1.65 0.30 0.00 -0.57 0.00 0.00 34.95 32.96 2kha s ARG 93 CO -0.04 0.45 1.35 0.94 -1.08 0.00 0.00 175.30 176.92 2kha n GLN 94 N 2.54 4.13 -2.00 3.89 7.27 -0.76 -4.81 117.38 127.64 2kha n GLN 94 Ca -0.15 -4.53 -0.28 0.00 0.07 0.00 0.00 57.00 52.10 2kha n GLN 94 Cb 0.53 -2.51 0.12 0.00 2.41 0.00 0.00 30.24 30.79 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 -0.89 4.04 -2.18 1.69 -4.77 -1.26 -2.55 116.67 110.75 2kha s ASP 95 Ca 0.31 0.48 0.00 0.00 -3.30 0.00 0.00 52.55 50.04 2kha s ASP 95 Cb 0.01 -0.83 0.00 0.00 -1.09 0.00 0.00 42.92 41.01 2kha s ASP 95 CO 0.05 -2.16 0.00 -3.20 0.70 0.00 0.00 175.17 170.56 2kha n ASN 96 N -3.40 -5.45 -4.89 2.11 2.85 -1.19 -4.92 115.26 100.38 2kha n ASN 96 Ca 0.11 0.49 -0.30 0.00 -0.11 0.00 0.00 54.58 54.78 2kha n ASN 96 Cb 0.60 -4.81 0.03 0.00 1.24 0.00 0.00 39.78 36.84 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 -2.73 1.62 -0.10 8.20 0.00 -0.80 -4.94 107.32 108.58 2kha s GLY 97 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 44.72 44.19 2kha s GLY 97 CO 0.00 -0.01 0.50 1.85 0.00 0.00 0.00 173.10 175.44 2kha s GLU 98 N -5.20 0.75 0.12 2.90 2.12 -1.26 -2.38 118.70 115.74 2kha s GLU 98 Ca 0.56 0.30 -0.01 0.00 0.36 0.00 0.00 54.97 56.18 2kha s GLU 98 Cb -0.11 0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 2kha s GLU 98 CO 0.51 -0.18 0.04 -0.46 -0.54 0.00 0.00 175.26 174.64 2kha s TRP 99 N -0.64 0.78 0.22 5.30 -0.00 -0.89 -4.94 118.94 118.78 2kha s TRP 99 Ca -0.07 -1.19 0.06 0.00 -0.00 0.00 0.00 56.10 54.90 2kha s TRP 99 Cb -0.03 -0.45 -0.04 0.00 -0.00 0.00 0.00 33.47 32.95 2kha s TRP 99 CO 0.04 -0.50 0.20 -0.08 -0.00 0.00 0.00 176.95 176.61 2kha s THR 100 N -4.02 4.57 0.00 5.86 -1.32 -1.26 0.12 115.64 119.59 2kha s THR 100 Ca 0.21 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 2kha s THR 100 Cb 0.07 -3.42 0.00 0.00 -1.51 0.00 0.00 72.50 67.64 2kha s THR 100 CO -0.01 -0.26 0.28 0.52 -2.21 0.00 0.00 174.62 172.95 2kha n VAL 101 N -0.90 0.00 0.21 5.08 0.31 -0.43 -4.67 118.33 117.94 2kha n VAL 101 Ca -0.08 -0.47 0.10 0.00 -0.01 0.00 0.00 64.34 63.88 2kha n VAL 101 Cb 0.57 1.03 0.52 0.00 -0.91 0.00 0.00 33.84 35.05 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 -0.38 1.06 -4.34 2.52 -2.24 -1.26 -3.81 114.28 105.84 2kha n THR 102 Ca 0.00 0.59 -0.24 0.00 -2.27 0.00 0.00 64.05 62.13 2kha n THR 102 Cb 0.01 -1.57 -0.13 0.00 -2.10 0.00 0.00 70.33 66.54 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 -3.44 1.15 0.03 -0.78 2.12 -1.26 -4.70 118.70 111.81 2kha s GLU 103 Ca -0.00 -1.11 0.03 0.00 0.36 0.00 0.00 54.97 54.24 2kha s GLU 103 Cb 0.07 -1.38 -0.02 0.00 0.26 0.00 0.00 34.13 33.06 2kha s GLU 103 CO 0.23 0.33 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.13 2kha s PHE 104 N -1.11 0.78 0.35 5.30 0.40 -1.26 -3.97 117.98 118.47 2kha s PHE 104 Ca 0.06 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.11 2kha s PHE 104 Cb -0.10 -0.47 -0.01 0.00 0.51 0.00 0.00 43.02 42.95 2kha s PHE 104 CO 0.04 -0.03 0.41 0.14 0.70 0.00 0.00 175.22 176.48 2kha s VAL 105 N -0.92 3.66 0.51 -0.44 -7.23 0.39 0.84 120.40 117.20 2kha s VAL 105 Ca -0.04 -1.16 -0.17 0.00 -1.81 0.00 0.00 61.98 58.80 2kha s VAL 105 Cb -0.07 -3.26 -0.08 0.00 0.56 0.00 0.00 36.38 33.53 2kha s VAL 105 CO 0.01 -0.14 0.99 0.21 -0.31 0.00 0.00 175.10 175.86 2kha s ASN 106 N -4.12 6.58 0.37 4.85 2.47 1.59 -2.52 114.94 124.16 2kha s ASN 106 Ca 0.45 1.62 0.20 0.00 0.42 0.00 0.00 52.86 55.55 2kha s ASN 106 Cb -0.08 -2.52 1.07 0.00 -1.45 0.00 0.00 41.25 38.28 2kha s ASN 106 CO 0.29 -0.62 1.56 1.05 -3.72 0.00 0.00 177.10 175.66 2kha h GLU 107 N 1.03 0.00 0.00 0.43 9.09 -1.85 0.86 114.58 124.15 2kha h GLU 107 Ca -0.47 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 58.79 2kha h GLU 107 Cb 1.19 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.27 2kha h GLU 107 CO 0.61 0.00 -0.69 0.22 0.05 0.00 0.00 179.01 179.20 2kha h ASP 108 N 0.00 0.00 0.00 3.06 1.82 -1.97 -3.47 116.42 115.85 2kha h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kha h ASP 108 Cb 0.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.35 2kha h ASP 108 CO 0.00 0.69 0.00 0.61 -1.61 0.00 0.00 179.24 178.93 2kha n GLY 109 N 0.82 1.11 3.56 -0.78 0.00 0.30 -5.12 105.19 105.07 2kha n GLY 109 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 2.33 0.10 2.61 -4.23 -1.24 -4.80 115.64 108.40 2kha s THR 110 Ca 0.00 -2.18 -0.35 0.00 -1.18 0.00 0.00 61.69 57.98 2kha s THR 110 Cb 0.00 -2.65 -0.18 0.00 1.34 0.00 0.00 72.50 71.01 2kha s THR 110 CO 0.00 -0.21 1.00 -2.65 -0.54 0.00 0.00 174.62 172.22 2kha n PRO 111 N -0.81 0.45 -0.68 3.99 -0.02 -1.26 0.45 135.00 137.12 2kha n PRO 111 Ca -0.05 0.16 -0.31 0.00 -2.02 0.00 0.00 63.50 61.28 2kha n PRO 111 Cb 0.63 -1.56 0.17 0.00 -0.02 0.00 0.00 33.50 32.72 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 1.25 -1.49 -2.31 3.55 0.00 0.25 -4.15 120.51 117.60 2kha n ALA 112 Ca 0.18 -0.65 -0.21 0.00 0.00 0.00 0.00 53.44 52.76 2kha n ALA 112 Cb 0.18 -2.08 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 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 -2.46 1.90 -0.00 0.00 -1.08 -1.26 -4.89 116.67 108.87 2kha s ASP 113 Ca 0.65 -1.79 -0.02 0.00 -0.52 0.00 0.00 52.55 50.87 2kha s ASP 113 Cb -0.23 0.58 -0.27 0.00 -1.46 0.00 0.00 42.92 41.54 2kha s ASP 113 CO 0.61 -1.07 0.83 0.00 0.52 0.00 0.00 175.17 176.05 2kha h THR 114 N 2.06 1.12 -3.18 1.71 1.03 -2.03 -3.51 112.91 110.12 2kha h THR 114 Ca -0.25 -2.78 0.35 0.00 -0.01 0.00 0.00 66.41 63.72 2kha h THR 114 Cb 1.23 2.72 -0.14 0.00 -1.07 0.00 0.00 68.15 70.90 2kha h THR 114 CO 0.37 0.80 -0.88 -1.20 -0.01 0.00 0.00 175.52 174.61 2kha n SER 115 N -3.42 -8.13 -2.54 0.00 7.64 -1.26 -5.01 113.62 100.90 2kha n SER 115 Ca -0.17 1.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.66 2kha n SER 115 Cb 1.04 -4.42 -0.04 0.00 -1.01 0.00 0.00 64.21 59.79 2kha n SER 115 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kha n LEU 116 N -4.21 -6.14 -4.07 -3.43 7.99 -1.26 -5.07 117.00 100.81 2kha n LEU 116 Ca -0.04 2.08 -0.15 0.00 -0.01 0.00 0.00 56.01 57.89 2kha n LEU 116 Cb 0.63 -3.17 -0.12 0.00 -0.11 0.00 0.00 43.42 40.65 2kha n LEU 116 CO 0.03 -3.72 -0.41 -1.61 -1.51 0.00 0.00 177.39 170.16 2kha s GLU 117 N -0.81 0.58 0.00 3.23 2.02 -1.26 -5.29 118.70 117.16 2kha s GLU 117 Ca -0.24 -0.69 0.17 0.00 0.02 0.00 0.00 54.97 54.23 2kha s GLU 117 Cb 0.02 -0.43 1.04 0.00 0.10 0.00 0.00 34.13 34.86 2kha s GLU 117 CO 0.75 0.09 1.45 -0.35 0.02 0.00 0.00 175.26 177.22