#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 1.25 0.29 1.08 5.04 -1.26 -5.08 117.35 118.67 2kha s TYR 7 Ca 0.00 0.51 0.11 0.00 -2.44 0.00 0.00 57.07 55.24 2kha s TYR 7 Cb 0.00 -3.66 -0.05 0.00 0.35 0.00 0.00 41.96 38.59 2kha s TYR 7 CO 0.00 -3.18 -0.11 0.08 -1.34 0.00 0.00 175.55 171.00 2kha s VAL 8 N -3.35 2.71 0.09 3.14 1.01 -1.26 -5.08 120.40 117.66 2kha s VAL 8 Ca 0.71 -2.20 -0.31 0.00 0.00 0.00 0.00 61.98 60.18 2kha s VAL 8 Cb -0.09 -2.55 -0.08 0.00 0.00 0.00 0.00 36.38 33.66 2kha s VAL 8 CO 0.55 -0.34 1.55 -0.69 0.00 0.00 0.00 175.10 176.16 2kha s VAL 9 N -2.48 3.07 1.04 2.92 1.01 -1.26 -5.01 120.40 119.70 2kha s VAL 9 Ca 0.31 0.65 -0.17 0.00 0.00 0.00 0.00 61.98 62.77 2kha s VAL 9 Cb -0.04 -3.41 0.27 0.00 0.00 0.00 0.00 36.38 33.20 2kha s VAL 9 CO 0.17 0.02 0.66 -0.81 0.00 0.00 0.00 175.10 175.14 2kha n PRO 10 N 4.84 -3.84 -3.81 2.72 -0.04 -1.26 -4.94 135.00 128.68 2kha n PRO 10 Ca 0.14 -1.09 -0.37 0.00 -0.04 0.00 0.00 63.50 62.14 2kha n PRO 10 Cb 0.41 -1.34 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.95 5.09 -0.48 3.54 0.15 -1.26 -4.75 113.70 113.04 2kha s SER 11 Ca 0.49 -1.06 -0.27 0.00 0.70 0.00 0.00 55.95 55.81 2kha s SER 11 Cb -0.08 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.44 2kha s SER 11 CO 0.40 -0.27 1.03 0.00 1.20 0.00 0.00 173.24 175.60 2kha s ALA 12 N 1.38 3.18 0.62 5.45 0.00 -1.25 -3.80 121.76 127.34 2kha s ALA 12 Ca -0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 2kha s ALA 12 Cb -0.19 -3.77 0.01 0.00 0.00 0.00 0.00 23.12 19.17 2kha s ALA 12 CO 0.01 -2.19 0.96 0.15 0.00 0.00 0.00 175.76 174.69 2kha s LYS 13 N 4.12 2.93 -0.19 0.00 1.02 0.33 -4.86 119.74 123.09 2kha s LYS 13 Ca 0.41 0.16 -0.17 0.00 0.02 0.00 0.00 55.97 56.40 2kha s LYS 13 Cb -0.09 -2.19 0.05 0.00 -0.52 0.00 0.00 37.83 35.08 2kha s LYS 13 CO 0.28 -0.79 0.51 -0.51 -0.92 0.00 0.00 175.35 173.92 2kha s LEU 14 N -5.10 0.00 -0.02 3.17 1.02 -1.25 -2.26 118.68 114.24 2kha s LEU 14 Ca 0.55 1.03 0.02 0.00 0.02 0.00 0.00 54.13 55.75 2kha s LEU 14 Cb -0.11 1.73 0.00 0.00 0.02 0.00 0.00 46.19 47.84 2kha s LEU 14 CO 0.47 -0.18 -0.05 -1.61 0.02 0.00 0.00 176.35 175.00 2kha s GLU 15 N 0.43 0.57 -0.36 1.70 2.02 0.35 -4.98 118.70 118.43 2kha s GLU 15 Ca -0.01 -0.17 -0.24 0.00 0.02 0.00 0.00 54.97 54.57 2kha s GLU 15 Cb -0.04 -0.57 0.01 0.00 0.10 0.00 0.00 34.13 33.63 2kha s GLU 15 CO -0.01 0.06 0.81 0.00 0.02 0.00 0.00 175.26 176.14 2kha s ALA 16 N 0.20 3.43 -0.41 5.21 0.00 -1.26 -1.74 121.76 127.20 2kha s ALA 16 Ca -0.02 -0.60 -0.20 0.00 0.00 0.00 0.00 51.96 51.13 2kha s ALA 16 Cb -0.06 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.68 2kha s ALA 16 CO -0.00 -1.49 0.63 0.42 0.00 0.00 0.00 175.76 175.32 2kha s ILE 17 N 3.16 4.86 0.32 0.00 -1.09 -0.96 0.13 121.20 127.62 2kha s ILE 17 Ca 0.33 0.26 -0.20 0.00 -2.23 0.00 0.00 60.65 58.80 2kha s ILE 17 Cb -0.13 -4.16 -0.09 0.00 -1.58 0.00 0.00 42.46 36.50 2kha s ILE 17 CO 0.17 -0.50 0.83 -0.47 -1.23 0.00 0.00 174.94 173.74 2kha s TYR 18 N 2.76 3.52 -2.02 3.97 5.04 -1.25 0.22 117.35 129.59 2kha s TYR 18 Ca 0.23 1.49 0.26 0.00 -2.44 0.00 0.00 57.07 56.61 2kha s TYR 18 Cb -0.14 -2.72 0.67 0.00 0.35 0.00 0.00 41.96 40.11 2kha s TYR 18 CO 0.18 0.15 1.51 -0.35 -1.34 0.00 0.00 175.55 175.70 2kha n PRO 19 N 0.12 1.14 -3.24 4.97 -0.04 -1.26 -4.82 135.00 131.88 2kha n PRO 19 Ca 0.02 -0.74 -0.02 0.00 -0.04 0.00 0.00 63.50 62.71 2kha n PRO 19 Cb 0.52 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2kha n PRO 19 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kha s ARG 20 N -2.37 0.74 0.01 0.54 3.00 -1.00 -4.59 118.95 115.28 2kha s ARG 20 Ca 0.26 -0.26 -0.29 0.00 0.00 0.00 0.00 55.73 55.44 2kha s ARG 20 Cb 0.19 -0.06 0.11 0.00 0.00 0.00 0.00 34.95 35.19 2kha s ARG 20 CO 0.48 -1.17 1.24 0.20 0.00 0.00 0.00 175.30 176.05 2kha s GLY 21 N 1.92 -0.27 -0.11 -3.53 0.00 0.13 -4.05 107.32 101.40 2kha s GLY 21 Ca 0.15 0.37 -0.19 0.00 0.00 0.00 0.00 44.72 45.05 2kha s GLY 21 CO -0.10 1.96 0.47 -2.27 0.00 0.00 0.00 173.10 173.16 2kha s LEU 22 N -3.26 0.21 -0.20 0.66 1.98 0.29 -2.27 118.68 116.09 2kha s LEU 22 Ca 0.19 0.68 -0.02 0.00 -2.89 0.00 0.00 54.13 52.09 2kha s LEU 22 Cb 0.02 1.70 0.06 0.00 0.66 0.00 0.00 46.19 48.63 2kha s LEU 22 CO -0.02 -0.32 0.03 -0.60 -1.89 0.00 0.00 176.35 173.55 2kha s ARG 23 N -0.44 0.74 0.02 1.98 3.52 -0.71 -1.14 118.95 122.93 2kha s ARG 23 Ca -0.06 -0.48 0.08 0.00 -0.13 0.00 0.00 55.73 55.13 2kha s ARG 23 Cb -0.03 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 31.18 2kha s ARG 23 CO 0.03 -0.64 -0.23 0.08 -0.81 0.00 0.00 175.30 173.73 2kha s VAL 24 N 1.81 1.82 -0.01 7.11 1.01 -0.94 -0.50 120.40 130.71 2kha s VAL 24 Ca -0.01 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 2kha s VAL 24 Cb -0.17 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2kha s VAL 24 CO -0.08 0.36 0.10 -0.44 0.00 0.00 0.00 175.10 175.04 2kha s SER 25 N -0.94 0.02 -0.06 3.32 0.01 -0.96 0.67 113.70 115.76 2kha s SER 25 Ca 0.09 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.22 2kha s SER 25 Cb -0.09 0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.37 2kha s SER 25 CO 0.01 -0.26 0.00 0.27 0.41 0.00 0.00 173.24 173.67 2kha s ILE 26 N -0.96 0.29 -0.45 1.44 -5.25 -1.01 0.12 121.20 115.38 2kha s ILE 26 Ca -0.10 0.13 -0.37 0.00 -0.99 0.00 0.00 60.65 59.32 2kha s ILE 26 Cb -0.06 -0.44 -0.14 0.00 2.95 0.00 0.00 42.46 44.77 2kha s ILE 26 CO 0.01 0.22 2.23 -2.65 -1.79 0.00 0.00 174.94 172.96 2kha n PRO 27 N 4.85 0.70 -2.54 0.37 -0.02 -1.25 -2.43 135.00 134.69 2kha n PRO 27 Ca -0.12 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.20 2kha n PRO 27 Cb 0.50 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 2kha n PRO 27 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kha s ASP 28 N 7.35 6.45 -0.30 2.55 2.15 -0.34 -4.67 116.67 129.86 2kha s ASP 28 Ca 1.14 1.82 0.20 0.00 0.43 0.00 0.00 52.55 56.13 2kha s ASP 28 Cb -1.03 -2.55 0.48 0.00 -0.30 0.00 0.00 42.92 39.52 2kha s ASP 28 CO 0.52 -0.70 1.03 -0.67 -0.17 0.00 0.00 175.17 175.18 2kha n ASP 29 N -1.08 1.35 -1.46 -0.34 2.03 -1.26 -4.75 116.55 111.04 2kha n ASP 29 Ca 0.08 -2.44 -0.11 0.00 0.52 0.00 0.00 54.79 52.85 2kha n ASP 29 Cb 0.53 -0.45 0.01 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.30 0.01 0.36 0.27 0.00 -1.26 -5.02 105.19 99.26 2kha n GLY 30 Ca 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.94 -3.42 0.00 1.61 3.72 -1.26 -4.71 117.46 109.46 2kha n PHE 31 Ca -0.09 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2kha n PHE 31 Cb 0.58 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 2kha n PHE 31 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2kha n SER 32 N -3.15 1.76 -3.75 4.37 7.64 1.35 -4.83 113.62 117.02 2kha n SER 32 Ca 0.02 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.73 2kha n SER 32 Cb 0.06 0.22 -0.17 0.00 -1.01 0.00 0.00 64.21 63.31 2kha n SER 32 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kha s LEU 33 N -1.83 0.82 -0.46 -3.43 2.96 -1.03 -4.57 118.68 111.14 2kha s LEU 33 Ca 0.00 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2kha s LEU 33 Cb 0.00 -0.10 0.12 0.00 0.50 0.00 0.00 46.19 46.71 2kha s LEU 33 CO 0.00 -0.16 0.21 0.12 -1.32 0.00 0.00 176.35 175.19 2kha s PHE 34 N 1.37 3.45 -0.34 5.38 5.36 -0.31 0.34 117.98 133.24 2kha s PHE 34 Ca -0.05 -3.00 -0.12 0.00 -0.96 0.00 0.00 56.93 52.80 2kha s PHE 34 Cb -0.13 -2.94 -0.01 0.00 -0.34 0.00 0.00 43.02 39.60 2kha s PHE 34 CO -0.03 -0.84 0.21 0.00 -1.46 0.00 0.00 175.22 173.10 2kha s ALA 35 N 0.27 3.41 -0.20 11.12 0.00 0.47 -0.81 121.76 136.01 2kha s ALA 35 Ca 0.14 -1.43 -0.06 0.00 0.00 0.00 0.00 51.96 50.61 2kha s ALA 35 Cb -0.23 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 2kha s ALA 35 CO -0.04 -1.00 0.04 0.12 0.00 0.00 0.00 175.76 174.88 2kha s PHE 36 N 1.67 3.13 -0.13 0.00 5.36 -0.48 0.12 117.98 127.66 2kha s PHE 36 Ca 0.05 -0.20 0.03 0.00 -0.96 0.00 0.00 56.93 55.86 2kha s PHE 36 Cb -0.17 -2.11 0.01 0.00 -0.34 0.00 0.00 43.02 40.41 2kha s PHE 36 CO 0.09 -0.08 -0.22 -1.01 -1.46 0.00 0.00 175.22 172.54 2kha s HIS 37 N 0.82 2.61 -0.20 10.12 3.76 -0.19 -2.05 115.29 130.15 2kha s HIS 37 Ca 0.02 -1.24 -0.13 0.00 -0.15 0.00 0.00 55.06 53.56 2kha s HIS 37 Cb -0.14 -1.77 0.06 0.00 1.11 0.00 0.00 32.58 31.84 2kha s HIS 37 CO 0.02 -0.55 0.51 0.20 -0.85 0.00 0.00 174.74 174.07 2kha s GLY 38 N 0.67 -0.42 -0.05 -2.22 0.00 -0.39 0.27 107.32 105.18 2kha s GLY 38 Ca -0.11 1.75 0.00 0.00 0.00 0.00 0.00 44.72 46.36 2kha s GLY 38 CO 0.01 1.77 -0.03 1.25 0.00 0.00 0.00 173.10 176.11 2kha s LYS 39 N 1.18 2.82 -0.31 2.90 2.47 0.22 0.18 119.74 129.20 2kha s LYS 39 Ca -0.07 -0.53 -0.19 0.00 -1.56 0.00 0.00 55.97 53.62 2kha s LYS 39 Cb -0.06 -2.67 -0.01 0.00 -1.46 0.00 0.00 37.83 33.62 2kha s LYS 39 CO -0.11 0.66 0.55 -1.17 0.16 0.00 0.00 175.35 175.44 2kha s LEU 40 N -1.09 4.19 -0.72 5.43 2.96 -1.26 -1.95 118.68 126.25 2kha s LEU 40 Ca 0.15 0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 2kha s LEU 40 Cb -0.11 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 2kha s LEU 40 CO 0.05 -0.42 0.65 -3.20 -1.32 0.00 0.00 176.35 172.10 2kha n ASN 41 N 5.74 -6.23 0.00 3.68 5.15 -0.51 -5.00 115.26 118.09 2kha n ASN 41 Ca -0.03 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 2kha n ASN 41 Cb 0.49 -4.39 0.00 0.00 -0.53 0.00 0.00 39.78 35.35 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 -2.23 0.00 0.00 1.20 2.13 -1.26 -5.05 120.64 115.42 2kha n GLU 42 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2kha n GLU 42 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 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 -0.64 -3.85 5.31 1.02 -1.26 -4.62 120.64 116.61 2kha n GLU 43 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2kha n GLU 43 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 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 -1.96 0.20 -0.27 3.49 -1.94 -1.26 -4.97 119.30 112.60 2kha s MET 44 Ca 0.00 0.01 0.22 0.00 -1.71 0.00 0.00 55.69 54.21 2kha s MET 44 Cb 0.00 0.09 0.50 0.00 2.01 0.00 0.00 34.83 37.43 2kha s MET 44 CO 0.00 -0.03 1.07 -3.47 -0.01 0.00 0.00 175.02 172.58 2kha n ASP 45 N 2.66 1.53 0.00 3.03 -0.08 -1.26 -4.95 116.55 117.48 2kha n ASP 45 Ca -0.15 -2.19 0.00 0.00 -1.51 0.00 0.00 54.79 50.95 2kha n ASP 45 Cb 0.58 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.56 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 -0.47 -0.31 2.97 0.27 0.00 -1.26 -5.02 105.19 101.36 2kha n GLY 46 Ca 0.07 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 2kha n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kha s LEU 47 N 0.00 5.07 0.06 0.99 1.43 -1.26 -5.05 118.68 119.93 2kha s LEU 47 Ca 0.00 -3.81 0.01 0.00 -1.03 0.00 0.00 54.13 49.29 2kha s LEU 47 Cb 0.00 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2kha s LEU 47 CO 0.00 -0.12 0.19 -1.61 0.23 0.00 0.00 176.35 175.04 2kha s GLU 48 N -1.43 3.34 0.47 1.70 2.02 -1.26 -5.00 118.70 118.54 2kha s GLU 48 Ca 0.26 -0.49 0.16 0.00 0.02 0.00 0.00 54.97 54.91 2kha s GLU 48 Cb -0.05 -2.98 1.13 0.00 0.10 0.00 0.00 34.13 32.33 2kha s GLU 48 CO -0.15 0.60 2.03 0.00 0.02 0.00 0.00 175.26 177.76 2kha h ALA 49 N 3.11 2.06 -0.76 5.21 0.00 -1.98 -3.45 119.26 123.45 2kha h ALA 49 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kha h ALA 49 Cb 1.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kha h ALA 49 CO 0.74 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2kha n GLY 50 N -1.54 0.70 0.36 0.00 0.00 -1.26 -4.28 105.19 99.17 2kha n GLY 50 Ca 0.06 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2kha n GLY 50 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kha n HIS 51 N 0.00 -0.19 -1.56 1.61 -0.00 0.48 -4.71 115.22 110.85 2kha n HIS 51 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 2kha n HIS 51 Cb 0.00 0.09 -0.08 0.00 -0.12 0.00 0.00 29.99 29.88 2kha n HIS 51 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 2kha n TRP 52 N -1.27 1.10 -3.90 1.57 8.01 0.31 -4.71 117.44 118.56 2kha n TRP 52 Ca 0.00 -0.03 -0.31 0.00 -1.31 0.00 0.00 57.50 55.85 2kha n TRP 52 Cb 0.00 -2.55 -0.13 0.00 -2.01 0.00 0.00 31.31 26.62 2kha n TRP 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2kha s ALA 53 N 14.60 3.43 -0.07 6.99 0.00 -1.21 -1.27 121.76 144.24 2kha s ALA 53 Ca 0.93 -3.35 0.00 0.00 0.00 0.00 0.00 51.96 49.55 2kha s ALA 53 Cb -0.15 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.72 2kha s ALA 53 CO 0.11 -2.05 -0.06 0.50 0.00 0.00 0.00 175.76 174.26 2kha s ARG 54 N -0.40 1.11 -0.63 0.00 6.06 -0.87 -4.98 118.95 119.24 2kha s ARG 54 Ca 0.18 -0.16 -0.09 0.00 -2.50 0.00 0.00 55.73 53.16 2kha s ARG 54 Cb -0.22 -1.14 0.16 0.00 0.06 0.00 0.00 34.95 33.81 2kha s ARG 54 CO -0.02 -0.14 0.51 0.34 -2.50 0.00 0.00 175.30 173.49 2kha s ASP 55 N 1.25 5.94 0.34 -2.12 2.15 -1.26 -1.39 116.67 121.58 2kha s ASP 55 Ca -0.05 -2.41 -0.23 0.00 0.43 0.00 0.00 52.55 50.30 2kha s ASP 55 Cb -0.14 -2.05 -0.10 0.00 -0.30 0.00 0.00 42.92 40.34 2kha s ASP 55 CO -0.02 -0.58 0.89 -0.63 -0.17 0.00 0.00 175.17 174.66 2kha s ILE 56 N 0.61 4.36 -0.10 4.11 1.01 0.01 -4.87 121.20 126.35 2kha s ILE 56 Ca 0.12 1.56 0.13 0.00 0.00 0.00 0.00 60.65 62.47 2kha s ILE 56 Cb -0.20 -3.83 0.25 0.00 0.01 0.00 0.00 42.46 38.69 2kha s ILE 56 CO -0.04 -0.01 1.12 0.35 0.00 0.00 0.00 174.94 176.37 2kha n THR 57 N 0.16 1.27 -3.25 2.92 -2.24 -1.26 -1.16 114.28 110.72 2kha n THR 57 Ca 0.03 -1.72 -0.04 0.00 -2.27 0.00 0.00 64.05 60.04 2kha n THR 57 Cb 0.52 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 2kha n THR 57 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2kha s LYS 58 N -1.91 0.46 1.12 -0.78 -2.85 -1.26 -4.96 119.74 109.57 2kha s LYS 58 Ca 0.25 0.30 -0.18 0.00 -1.00 0.00 0.00 55.97 55.33 2kha s LYS 58 Cb 0.23 -0.11 0.13 0.00 -2.06 0.00 0.00 37.83 36.02 2kha s LYS 58 CO -0.01 -1.02 0.08 -2.30 0.10 0.00 0.00 175.35 172.19 2kha n PRO 59 N 5.38 -1.86 -1.88 1.78 -0.02 -1.26 -4.82 135.00 132.31 2kha n PRO 59 Ca 0.02 -0.53 -0.27 0.00 -2.02 0.00 0.00 63.50 60.69 2kha n PRO 59 Cb 0.51 -1.68 0.03 0.00 -0.02 0.00 0.00 33.50 32.35 2kha n PRO 59 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kha n LYS 60 N -2.20 3.36 -1.20 -0.52 4.76 0.41 -4.89 118.16 117.87 2kha n LYS 60 Ca 0.02 -3.96 0.00 0.00 -2.87 0.00 0.00 58.31 51.49 2kha n LYS 60 Cb 0.59 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 2kha n LYS 60 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2kha n GLU 61 N -0.74 0.00 -0.32 1.97 2.13 -1.26 -4.38 120.64 118.04 2kha n GLU 61 Ca 0.49 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.71 2kha n GLU 61 Cb 0.86 -0.93 0.00 0.00 0.27 0.00 0.00 31.44 31.63 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 -0.13 1.07 3.52 8.31 0.00 -1.26 -4.89 105.19 111.80 2kha n GLY 62 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.22 0.70 0.45 1.61 0.52 -1.26 -1.20 118.95 119.55 2kha s ARG 63 Ca 0.00 0.92 -0.14 0.00 -0.52 0.00 0.00 55.73 55.99 2kha s ARG 63 Cb 0.00 0.29 -0.07 0.00 0.52 0.00 0.00 34.95 35.68 2kha s ARG 63 CO 0.00 -0.10 0.86 -1.58 0.02 0.00 0.00 175.30 174.50 2kha s TRP 64 N 0.63 3.45 -0.08 -0.53 0.52 -1.02 0.15 118.94 122.07 2kha s TRP 64 Ca -0.02 1.25 -0.01 0.00 0.02 0.00 0.00 56.10 57.33 2kha s TRP 64 Cb -0.05 -2.61 0.03 0.00 -1.15 0.00 0.00 33.47 29.69 2kha s TRP 64 CO -0.04 -0.21 -0.01 0.99 0.02 0.00 0.00 176.95 177.71 2kha s THR 65 N -2.46 0.47 -0.76 2.01 2.01 -1.26 -2.41 115.64 113.24 2kha s THR 65 Ca 0.55 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.53 2kha s THR 65 Cb -0.10 -0.62 0.20 0.00 0.01 0.00 0.00 72.50 71.98 2kha s THR 65 CO 0.30 0.25 0.63 0.12 -0.69 0.00 0.00 174.62 175.24 2kha s PHE 66 N 1.93 3.64 -0.08 4.92 5.36 0.21 -4.97 117.98 129.00 2kha s PHE 66 Ca 0.05 -2.61 -0.17 0.00 -0.96 0.00 0.00 56.93 53.23 2kha s PHE 66 Cb -0.13 -3.40 -0.05 0.00 -0.34 0.00 0.00 43.02 39.11 2kha s PHE 66 CO -0.06 -0.86 0.47 0.50 -1.46 0.00 0.00 175.22 173.81 2kha s ARG 67 N -0.37 4.24 -0.26 10.12 3.00 -1.26 -2.22 118.95 132.21 2kha s ARG 67 Ca 0.20 0.46 -0.04 0.00 -1.00 0.00 0.00 55.73 55.36 2kha s ARG 67 Cb -0.14 -3.38 0.09 0.00 0.00 0.00 0.00 34.95 31.52 2kha s ARG 67 CO -0.07 0.31 0.11 0.34 0.00 0.00 0.00 175.30 175.98 2kha s ASP 68 N 0.13 3.31 -0.13 -2.12 -1.08 -0.29 -4.97 116.67 111.52 2kha s ASP 68 Ca 0.26 -1.16 0.05 0.00 -0.52 0.00 0.00 52.55 51.18 2kha s ASP 68 Cb -0.16 -0.44 0.36 0.00 -1.46 0.00 0.00 42.92 41.23 2kha s ASP 68 CO 0.11 -0.40 1.16 -2.11 0.52 0.00 0.00 175.17 174.45 2kha n ARG 69 N 5.17 2.51 -2.57 4.34 1.85 -1.26 0.10 116.66 126.81 2kha n ARG 69 Ca -0.06 -1.44 -0.10 0.00 -1.00 0.00 0.00 57.85 55.25 2kha n ARG 69 Cb 0.44 -1.78 0.04 0.00 -1.05 0.00 0.00 32.46 30.10 2kha n ARG 69 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2kha n ASN 70 N 0.16 2.70 -4.06 2.89 5.03 -1.26 -4.53 115.26 116.18 2kha n ASN 70 Ca 0.16 -2.71 -0.33 0.00 0.87 0.00 0.00 54.58 52.58 2kha n ASN 70 Cb 0.78 -0.45 -0.14 0.00 -1.02 0.00 0.00 39.78 38.95 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kha s ALA 71 N -3.64 2.97 -0.67 5.41 0.00 -1.26 -4.98 121.76 119.60 2kha s ALA 71 Ca 0.35 -2.48 -0.27 0.00 0.00 0.00 0.00 51.96 49.56 2kha s ALA 71 Cb 0.37 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 2kha s ALA 71 CO -0.02 -1.69 1.63 0.21 0.00 0.00 0.00 175.76 175.89 2kha s LYS 72 N 1.00 2.86 0.31 0.00 2.20 -1.26 -3.30 119.74 121.55 2kha s LYS 72 Ca 0.09 0.25 0.09 0.00 -0.36 0.00 0.00 55.97 56.03 2kha s LYS 72 Cb -0.20 -4.32 -0.06 0.00 -1.51 0.00 0.00 37.83 31.74 2kha s LYS 72 CO -0.06 -2.51 -0.10 -0.51 -0.36 0.00 0.00 175.35 171.81 2kha s LEU 73 N 7.74 2.63 0.01 5.43 1.43 -1.26 -5.10 118.68 129.55 2kha s LEU 73 Ca 0.54 -1.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 2kha s LEU 73 Cb -0.11 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 2kha s LEU 73 CO 0.18 -0.22 -0.03 -0.54 0.23 0.00 0.00 176.35 175.97 2kha s LYS 74 N -3.64 0.26 0.12 1.70 1.02 -1.26 -4.94 119.74 113.01 2kha s LYS 74 Ca 0.31 -0.33 -0.31 0.00 0.02 0.00 0.00 55.97 55.66 2kha s LYS 74 Cb 0.02 -0.10 -0.10 0.00 -0.52 0.00 0.00 37.83 37.13 2kha s LYS 74 CO 0.15 0.02 1.70 -0.48 -0.92 0.00 0.00 175.35 175.82 2kha s LEU 75 N -0.68 4.38 0.00 3.17 0.05 -1.22 -2.60 118.68 121.78 2kha s LEU 75 Ca -0.06 2.65 0.00 0.00 0.05 0.00 0.00 54.13 56.78 2kha s LEU 75 Cb -0.05 -3.57 0.00 0.00 -2.05 0.00 0.00 46.19 40.52 2kha s LEU 75 CO -0.00 -0.93 0.00 0.61 -0.55 0.00 0.00 176.35 175.48 2kha n GLY 76 N 4.02 1.01 3.79 -3.48 0.00 -1.25 -4.73 105.19 104.55 2kha n GLY 76 Ca 0.16 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.65 6.14 0.32 1.61 -1.08 -1.07 -4.77 116.67 117.17 2kha s ASP 77 Ca 0.00 2.04 0.07 0.00 -0.52 0.00 0.00 52.55 54.14 2kha s ASP 77 Cb 0.00 -2.57 -0.02 0.00 -1.46 0.00 0.00 42.92 38.87 2kha s ASP 77 CO 0.00 -0.92 0.39 -0.75 0.52 0.00 0.00 175.17 174.41 2kha s LYS 78 N -3.18 3.04 0.09 4.34 2.47 -1.26 -1.24 119.74 124.00 2kha s LYS 78 Ca 0.69 -1.06 0.10 0.00 -1.56 0.00 0.00 55.97 54.13 2kha s LYS 78 Cb -0.20 -2.72 -0.04 0.00 -1.46 0.00 0.00 37.83 33.42 2kha s LYS 78 CO 0.23 0.14 -0.24 0.42 0.16 0.00 0.00 175.35 176.06 2kha s ILE 79 N -2.18 2.39 -0.09 5.43 1.09 0.35 -1.43 121.20 126.77 2kha s ILE 79 Ca 0.42 -1.54 -0.04 0.00 -1.10 0.00 0.00 60.65 58.39 2kha s ILE 79 Cb -0.08 -2.03 0.05 0.00 -1.06 0.00 0.00 42.46 39.34 2kha s ILE 79 CO 0.29 0.20 0.18 -0.31 -0.10 0.00 0.00 174.94 175.21 2kha s TYR 80 N -0.99 -0.23 0.34 3.97 2.02 -0.82 -2.31 117.35 119.33 2kha s TYR 80 Ca 0.14 0.64 -0.10 0.00 -0.37 0.00 0.00 57.07 57.38 2kha s TYR 80 Cb -0.10 -0.11 0.04 0.00 -0.40 0.00 0.00 41.96 41.39 2kha s TYR 80 CO 0.05 -0.23 0.63 1.97 -1.57 0.00 0.00 175.55 176.41 2kha n PHE 81 N 4.69 -2.01 -3.67 2.71 1.16 -1.04 0.68 117.46 119.98 2kha n PHE 81 Ca -0.17 -1.73 -0.11 0.00 -1.87 0.00 0.00 57.45 53.57 2kha n PHE 81 Cb 0.51 0.74 -0.09 0.00 -1.61 0.00 0.00 39.48 39.03 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 -3.07 -0.74 0.26 2.97 1.48 0.14 -1.68 118.94 118.31 2kha s TRP 82 Ca 0.16 1.62 0.05 0.00 -1.06 0.00 0.00 56.10 56.88 2kha s TRP 82 Cb -0.04 0.34 -0.03 0.00 -1.16 0.00 0.00 33.47 32.59 2kha s TRP 82 CO 0.12 -0.37 0.39 0.95 -4.06 0.00 0.00 176.95 173.98 2kha s THR 83 N 0.96 5.03 -0.24 0.66 -4.23 -1.07 -1.02 115.64 115.73 2kha s THR 83 Ca -0.05 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.46 2kha s THR 83 Cb -0.05 -3.78 0.11 0.00 1.34 0.00 0.00 72.50 70.12 2kha s THR 83 CO -0.08 -0.30 0.24 -0.47 -0.54 0.00 0.00 174.62 173.46 2kha s TYR 84 N -2.03 -0.28 0.33 3.99 5.04 0.33 -1.96 117.35 122.78 2kha s TYR 84 Ca 0.36 -0.04 0.07 0.00 -2.44 0.00 0.00 57.07 55.03 2kha s TYR 84 Cb -0.09 -0.45 -0.02 0.00 0.35 0.00 0.00 41.96 41.75 2kha s TYR 84 CO 0.30 -0.74 0.40 0.54 -1.34 0.00 0.00 175.55 174.70 2kha s VAL 85 N 2.31 3.85 -0.23 3.14 0.11 0.18 0.18 120.40 129.94 2kha s VAL 85 Ca 0.08 -1.15 -0.04 0.00 -2.93 0.00 0.00 61.98 57.94 2kha s VAL 85 Cb -0.15 -3.32 0.09 0.00 -1.53 0.00 0.00 36.38 31.47 2kha s VAL 85 CO -0.22 -0.16 0.17 -0.63 -3.33 0.00 0.00 175.10 170.92 2kha s ILE 86 N -2.23 -0.20 -1.16 7.04 -1.09 0.15 -1.82 121.20 121.90 2kha s ILE 86 Ca 0.43 -0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 58.44 2kha s ILE 86 Cb -0.08 -0.77 0.26 0.00 -1.58 0.00 0.00 42.46 40.29 2kha s ILE 86 CO 0.29 -0.40 1.64 1.17 -1.23 0.00 0.00 174.94 176.40 2kha n LYS 87 N 5.29 4.17 -3.65 2.79 4.81 -1.05 0.41 118.16 130.93 2kha n LYS 87 Ca -0.06 -4.17 -0.22 0.00 -0.87 0.00 0.00 58.31 52.99 2kha n LYS 87 Cb 0.47 -2.66 0.06 0.00 0.02 0.00 0.00 35.03 32.91 2kha n LYS 87 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kha n ASP 88 N 2.25 -3.19 0.00 3.14 2.03 -1.26 -3.28 116.55 116.25 2kha n ASP 88 Ca 0.31 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.92 2kha n ASP 88 Cb 0.34 -4.52 0.00 0.00 -0.72 0.00 0.00 41.12 36.22 2kha n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kha n GLY 89 N -1.57 1.75 2.37 0.27 0.00 -1.26 -5.05 105.19 101.70 2kha n GLY 89 Ca -0.17 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 -0.64 -4.73 0.99 4.77 -1.20 -5.13 117.00 111.05 2kha n LEU 90 Ca 0.00 -4.30 -0.33 0.00 -0.03 0.00 0.00 56.01 51.35 2kha n LEU 90 Cb 0.03 0.62 0.09 0.00 -2.33 0.00 0.00 43.42 41.84 2kha n LEU 90 CO 0.00 1.95 0.75 -0.83 -1.33 0.00 0.00 177.39 177.94 2kha s GLY 91 N -0.45 2.11 -0.18 -0.72 0.00 -1.25 -2.53 107.32 104.31 2kha s GLY 91 Ca 0.33 0.68 -0.12 0.00 0.00 0.00 0.00 44.72 45.61 2kha s GLY 91 CO -0.16 1.06 0.45 -0.19 0.00 0.00 0.00 173.10 174.26 2kha s TYR 92 N -2.29 -0.59 -0.00 1.90 2.02 -0.75 -4.94 117.35 112.70 2kha s TYR 92 Ca 0.70 1.31 0.03 0.00 -0.37 0.00 0.00 57.07 58.74 2kha s TYR 92 Cb -0.24 0.25 -0.01 0.00 -0.40 0.00 0.00 41.96 41.56 2kha s TYR 92 CO 0.48 -0.31 -0.11 -0.98 -1.57 0.00 0.00 175.55 173.06 2kha s ARG 93 N 0.93 0.85 -1.00 -0.62 1.70 -1.24 0.47 118.95 120.03 2kha s ARG 93 Ca -0.06 -0.41 -0.03 0.00 -0.47 0.00 0.00 55.73 54.76 2kha s ARG 93 Cb -0.06 -0.82 0.28 0.00 -0.57 0.00 0.00 34.95 33.78 2kha s ARG 93 CO -0.08 0.22 1.20 0.94 -1.08 0.00 0.00 175.30 176.50 2kha n GLN 94 N 2.72 3.74 -1.99 3.89 7.27 -0.83 -4.81 117.38 127.36 2kha n GLN 94 Ca -0.14 -4.54 -0.29 0.00 0.07 0.00 0.00 57.00 52.10 2kha n GLN 94 Cb 0.56 -2.47 0.13 0.00 2.41 0.00 0.00 30.24 30.88 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 -0.95 3.86 -1.85 1.69 1.47 -1.26 -2.58 116.67 117.04 2kha s ASP 95 Ca 0.32 0.43 0.00 0.00 1.18 0.00 0.00 52.55 54.48 2kha s ASP 95 Cb 0.01 -0.71 0.00 0.00 -0.34 0.00 0.00 42.92 41.88 2kha s ASP 95 CO 0.01 -2.27 0.00 -3.20 0.68 0.00 0.00 175.17 170.39 2kha n ASN 96 N -3.46 -5.43 -4.84 2.11 5.15 -1.20 -4.92 115.26 102.66 2kha n ASN 96 Ca 0.12 0.43 -0.30 0.00 -0.60 0.00 0.00 54.58 54.23 2kha n ASN 96 Cb 0.60 -4.47 0.06 0.00 -0.53 0.00 0.00 39.78 35.44 2kha n ASN 96 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2kha s GLY 97 N -2.70 1.64 -0.01 8.20 0.00 -0.68 -4.93 107.32 108.83 2kha s GLY 97 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.35 2kha s GLY 97 CO 0.00 0.19 0.41 1.85 0.00 0.00 0.00 173.10 175.55 2kha s GLU 98 N -5.20 0.80 0.16 2.90 2.12 -1.26 -2.49 118.70 115.72 2kha s GLU 98 Ca 0.59 -0.11 -0.11 0.00 0.36 0.00 0.00 54.97 55.70 2kha s GLU 98 Cb -0.13 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.62 2kha s GLU 98 CO 0.54 -0.24 0.32 -0.46 -0.54 0.00 0.00 175.26 174.88 2kha s TRP 99 N -1.46 0.26 0.23 5.30 -0.00 -0.98 -4.95 118.94 117.34 2kha s TRP 99 Ca -0.12 -0.62 0.07 0.00 -0.00 0.00 0.00 56.10 55.42 2kha s TRP 99 Cb -0.03 0.04 -0.04 0.00 -0.00 0.00 0.00 33.47 33.44 2kha s TRP 99 CO 0.05 -0.74 0.16 -0.08 -0.00 0.00 0.00 176.95 176.34 2kha s THR 100 N -3.93 4.37 -0.01 5.86 -1.32 -1.26 0.13 115.64 119.48 2kha s THR 100 Ca 0.14 -1.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 2kha s THR 100 Cb 0.03 -3.32 -0.00 0.00 -1.51 0.00 0.00 72.50 67.69 2kha s THR 100 CO -0.02 -0.28 0.01 0.52 -2.21 0.00 0.00 174.62 172.63 2kha n VAL 101 N -0.92 0.00 0.06 5.08 0.31 -0.37 -4.68 118.33 117.81 2kha n VAL 101 Ca -0.08 -0.47 0.04 0.00 -0.01 0.00 0.00 64.34 63.82 2kha n VAL 101 Cb 0.57 0.97 0.19 0.00 -0.91 0.00 0.00 33.84 34.66 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 -1.03 1.68 -4.19 2.52 -2.24 -1.26 -3.36 114.28 106.40 2kha n THR 102 Ca 0.00 0.57 -0.17 0.00 -2.27 0.00 0.00 64.05 62.18 2kha n THR 102 Cb 0.00 -1.56 -0.12 0.00 -2.10 0.00 0.00 70.33 66.55 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 -3.17 0.73 0.05 -0.78 2.12 -1.26 -4.64 118.70 111.74 2kha s GLU 103 Ca -0.01 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.56 2kha s GLU 103 Cb 0.02 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.72 2kha s GLU 103 CO 0.07 0.15 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.79 2kha s PHE 104 N -1.11 0.74 0.18 5.30 0.40 -1.26 -4.13 117.98 118.11 2kha s PHE 104 Ca -0.03 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.82 2kha s PHE 104 Cb -0.09 -0.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 2kha s PHE 104 CO 0.01 -0.07 0.33 0.14 0.70 0.00 0.00 175.22 176.34 2kha s VAL 105 N -1.36 5.28 0.39 -0.44 -7.23 0.36 0.15 120.40 117.55 2kha s VAL 105 Ca -0.09 -0.60 -0.15 0.00 -1.81 0.00 0.00 61.98 59.33 2kha s VAL 105 Cb -0.10 -3.75 -0.08 0.00 0.56 0.00 0.00 36.38 33.01 2kha s VAL 105 CO 0.01 -0.14 0.82 0.20 -0.31 0.00 0.00 175.10 175.67 2kha s ASN 106 N -3.28 6.71 0.52 4.85 0.01 1.08 -3.78 114.94 121.05 2kha s ASN 106 Ca 0.36 1.35 0.26 0.00 -0.71 0.00 0.00 52.86 54.13 2kha s ASN 106 Cb -0.11 -2.41 1.44 0.00 0.41 0.00 0.00 41.25 40.58 2kha s ASN 106 CO 0.29 -0.35 1.78 1.05 -1.51 0.00 0.00 177.10 178.36 2kha h GLU 107 N 1.71 0.00 -0.03 -0.60 9.09 -1.89 0.93 114.58 123.78 2kha h GLU 107 Ca -0.48 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 58.81 2kha h GLU 107 Cb 1.18 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.27 2kha h GLU 107 CO 0.64 0.00 -0.57 0.22 0.05 0.00 0.00 179.01 179.35 2kha h ASP 108 N 0.00 0.10 0.00 3.06 3.58 -2.02 -3.47 116.42 117.67 2kha h ASP 108 Ca 0.00 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2kha h ASP 108 Cb 0.45 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2kha h ASP 108 CO 0.00 0.65 0.00 0.61 -2.88 0.00 0.00 179.24 177.62 2kha n GLY 109 N 0.14 1.90 3.21 -0.78 0.00 0.32 -5.14 105.19 104.84 2kha n GLY 109 Ca -0.02 0.00 -0.09 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 0.14 -0.04 2.61 -4.23 -1.22 -4.87 115.64 106.03 2kha s THR 110 Ca 0.00 -1.16 -0.38 0.00 -1.18 0.00 0.00 61.69 58.97 2kha s THR 110 Cb 0.00 -1.32 -0.17 0.00 1.34 0.00 0.00 72.50 72.35 2kha s THR 110 CO 0.00 -0.64 1.45 -2.65 -0.54 0.00 0.00 174.62 172.24 2kha n PRO 111 N -0.03 1.04 -2.19 3.99 -0.02 -1.26 0.35 135.00 136.88 2kha n PRO 111 Ca -0.15 0.38 -0.40 0.00 -2.02 0.00 0.00 63.50 61.31 2kha n PRO 111 Cb 0.62 -2.02 0.03 0.00 -0.02 0.00 0.00 33.50 32.11 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 3.32 6.30 -0.92 3.55 0.00 0.39 -4.59 120.51 128.56 2kha n ALA 112 Ca 0.21 -4.30 -0.02 0.00 0.00 0.00 0.00 53.44 49.34 2kha n ALA 112 Cb 0.16 -1.99 0.03 0.00 0.00 0.00 0.00 19.45 17.65 2kha n ALA 112 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kha n ASP 113 N -0.38 -1.86 -2.42 0.00 -0.08 -1.26 -4.19 116.55 106.35 2kha n ASP 113 Ca 0.51 -0.08 -0.19 0.00 -1.51 0.00 0.00 54.79 53.52 2kha n ASP 113 Cb 0.26 -0.10 0.01 0.00 2.34 0.00 0.00 41.12 43.63 2kha n ASP 113 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2kha n THR 114 N -3.09 -1.38 -3.76 5.18 -1.04 -1.26 -5.00 114.28 103.93 2kha n THR 114 Ca 0.01 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.84 2kha n THR 114 Cb 0.06 -2.98 0.00 0.00 -1.82 0.00 0.00 70.33 65.59 2kha n THR 114 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2kha n SER 115 N -1.79 2.23 -2.58 8.00 3.41 -1.26 -4.95 113.62 116.68 2kha n SER 115 Ca -0.15 -2.34 -0.01 0.00 -0.26 0.00 0.00 58.87 56.11 2kha n SER 115 Cb 0.63 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 2kha n SER 115 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2kha n LEU 116 N 0.00 -7.13 -3.25 1.04 -0.00 -1.26 -5.06 117.00 101.34 2kha n LEU 116 Ca -0.01 1.47 -0.05 0.00 -0.00 0.00 0.00 56.01 57.42 2kha n LEU 116 Cb 0.44 -3.13 -0.03 0.00 -0.00 0.00 0.00 43.42 40.70 2kha n LEU 116 CO 0.26 -3.09 0.01 -1.61 -0.00 0.00 0.00 177.39 172.96 2kha s GLU 117 N -1.32 0.77 0.00 1.96 2.02 -1.26 -5.23 118.70 115.64 2kha s GLU 117 Ca -0.05 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2kha s GLU 117 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.05 2kha s GLU 117 CO 0.72 -1.20 0.29 -2.30 0.02 0.00 0.00 175.26 172.79