#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 2.37 0.25 1.08 5.04 -1.26 -5.10 117.35 119.72 2kha s TYR 7 Ca 0.00 0.26 0.09 0.00 -2.44 0.00 0.00 57.07 54.97 2kha s TYR 7 Cb 0.00 -3.34 -0.04 0.00 0.35 0.00 0.00 41.96 38.93 2kha s TYR 7 CO 0.00 -1.72 0.02 0.08 -1.34 0.00 0.00 175.55 172.60 2kha s VAL 8 N -3.35 3.63 0.09 3.14 1.01 -1.26 -4.93 120.40 118.73 2kha s VAL 8 Ca 0.64 -1.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.56 2kha s VAL 8 Cb -0.08 -2.92 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 2kha s VAL 8 CO 0.46 -0.32 1.52 0.54 0.00 0.00 0.00 175.10 177.30 2kha s VAL 9 N -2.18 3.13 1.14 2.92 0.11 -1.26 -5.00 120.40 119.25 2kha s VAL 9 Ca 0.31 0.70 -0.19 0.00 -2.93 0.00 0.00 61.98 59.87 2kha s VAL 9 Cb -0.07 -3.45 0.29 0.00 -1.53 0.00 0.00 36.38 31.62 2kha s VAL 9 CO 0.20 0.02 0.91 -2.65 -3.33 0.00 0.00 175.10 170.26 2kha n PRO 10 N 4.80 -3.30 -4.19 1.54 -0.02 -1.26 -4.79 135.00 127.77 2kha n PRO 10 Ca 0.14 -1.48 -0.35 0.00 -2.02 0.00 0.00 63.50 59.79 2kha n PRO 10 Cb 0.41 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.30 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 -3.82 5.45 -0.43 2.55 0.15 -1.26 -4.65 113.70 111.68 2kha s SER 11 Ca 0.62 0.12 -0.23 0.00 0.70 0.00 0.00 55.95 57.16 2kha s SER 11 Cb -0.07 -1.75 0.02 0.00 -1.71 0.00 0.00 66.02 62.50 2kha s SER 11 CO 0.48 0.28 0.77 0.00 1.20 0.00 0.00 173.24 175.97 2kha s ALA 12 N -0.31 3.33 -0.79 5.45 0.00 -1.25 -3.98 121.76 124.22 2kha s ALA 12 Ca 0.08 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 2kha s ALA 12 Cb -0.12 -3.42 0.13 0.00 0.00 0.00 0.00 23.12 19.70 2kha s ALA 12 CO 0.02 -1.81 0.94 0.15 0.00 0.00 0.00 175.76 175.06 2kha s LYS 13 N 3.19 3.38 0.61 0.00 1.02 0.35 -4.79 119.74 123.50 2kha s LYS 13 Ca 0.29 -1.61 -0.08 0.00 0.02 0.00 0.00 55.97 54.59 2kha s LYS 13 Cb -0.13 -4.57 -0.00 0.00 -0.52 0.00 0.00 37.83 32.61 2kha s LYS 13 CO 0.21 -1.65 0.95 -0.51 -0.92 0.00 0.00 175.35 173.43 2kha s LEU 14 N 2.53 3.21 -0.15 3.17 1.02 -1.26 -1.46 118.68 125.75 2kha s LEU 14 Ca 0.23 0.97 -0.13 0.00 0.02 0.00 0.00 54.13 55.22 2kha s LEU 14 Cb -0.12 -3.84 0.04 0.00 0.02 0.00 0.00 46.19 42.29 2kha s LEU 14 CO -0.02 -1.03 0.39 -1.61 0.02 0.00 0.00 176.35 174.09 2kha s GLU 15 N -5.08 0.44 -0.35 1.70 2.02 0.11 -4.90 118.70 112.64 2kha s GLU 15 Ca 0.54 0.56 -0.24 0.00 0.02 0.00 0.00 54.97 55.85 2kha s GLU 15 Cb -0.11 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.32 2kha s GLU 15 CO 0.48 -0.07 0.82 0.00 0.02 0.00 0.00 175.26 176.52 2kha s ALA 16 N 0.34 3.44 -0.44 5.21 0.00 -1.25 -1.81 121.76 127.25 2kha s ALA 16 Ca -0.01 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 2kha s ALA 16 Cb -0.03 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2kha s ALA 16 CO -0.01 -1.46 0.47 0.42 0.00 0.00 0.00 175.76 175.18 2kha s ILE 17 N 3.17 5.06 0.46 0.00 -1.09 -0.96 0.13 121.20 127.96 2kha s ILE 17 Ca 0.33 -0.44 -0.20 0.00 -2.23 0.00 0.00 60.65 58.11 2kha s ILE 17 Cb -0.13 -4.10 -0.10 0.00 -1.58 0.00 0.00 42.46 36.55 2kha s ILE 17 CO 0.16 -0.52 0.97 -0.72 -1.23 0.00 0.00 174.94 173.61 2kha s TYR 18 N 2.20 3.26 -2.33 3.97 1.13 -1.26 0.13 117.35 124.44 2kha s TYR 18 Ca 0.12 1.58 0.24 0.00 -1.41 0.00 0.00 57.07 57.60 2kha s TYR 18 Cb -0.18 -2.89 0.92 0.00 -1.10 0.00 0.00 41.96 38.71 2kha s TYR 18 CO 0.13 -0.31 1.65 -0.35 -2.51 0.00 0.00 175.55 174.16 2kha n PRO 19 N -0.88 1.65 -3.01 -3.49 -0.05 -1.26 -4.80 135.00 123.17 2kha n PRO 19 Ca 0.07 -0.96 0.03 0.00 -0.05 0.00 0.00 63.50 62.59 2kha n PRO 19 Cb 0.54 -1.43 -0.00 0.00 -0.05 0.00 0.00 33.50 32.56 2kha n PRO 19 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 175.50 175.95 2kha s ARG 20 N -1.88 0.38 0.10 0.54 3.00 -0.75 -4.77 118.95 115.57 2kha s ARG 20 Ca 0.35 -0.00 -0.26 0.00 -1.00 0.00 0.00 55.73 54.82 2kha s ARG 20 Cb 0.19 0.08 0.09 0.00 0.00 0.00 0.00 34.95 35.30 2kha s ARG 20 CO 0.29 -0.60 1.12 0.20 0.00 0.00 0.00 175.30 176.32 2kha s GLY 21 N 2.24 -0.12 -0.14 8.12 0.00 0.34 -4.14 107.32 113.62 2kha s GLY 21 Ca 0.17 0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.82 2kha s GLY 21 CO -0.16 2.03 0.36 -2.27 0.00 0.00 0.00 173.10 173.07 2kha s LEU 22 N -3.29 0.54 -0.21 0.66 2.96 0.31 -2.26 118.68 117.39 2kha s LEU 22 Ca 0.20 0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 54.81 2kha s LEU 22 Cb -0.00 1.24 0.07 0.00 0.50 0.00 0.00 46.19 48.00 2kha s LEU 22 CO 0.02 -0.13 0.08 -0.60 -1.32 0.00 0.00 176.35 174.39 2kha s ARG 23 N 0.33 0.38 0.21 1.98 3.52 -0.75 -0.40 118.95 124.21 2kha s ARG 23 Ca -0.01 -0.39 0.10 0.00 -0.13 0.00 0.00 55.73 55.30 2kha s ARG 23 Cb -0.03 -1.84 -0.04 0.00 -1.56 0.00 0.00 34.95 31.47 2kha s ARG 23 CO -0.01 -0.75 -0.15 0.08 -0.81 0.00 0.00 175.30 173.66 2kha s VAL 24 N 1.97 2.83 -0.02 7.11 1.01 -0.97 0.07 120.40 132.41 2kha s VAL 24 Ca 0.03 -1.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.05 2kha s VAL 24 Cb -0.17 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2kha s VAL 24 CO -0.15 -0.18 0.10 -0.44 0.00 0.00 0.00 175.10 174.43 2kha s SER 25 N -2.96 -0.03 -0.04 3.32 0.01 -0.53 -0.78 113.70 112.69 2kha s SER 25 Ca 0.25 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2kha s SER 25 Cb -0.08 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.38 2kha s SER 25 CO 0.14 -0.16 -0.01 0.27 0.41 0.00 0.00 173.24 173.89 2kha s ILE 26 N -0.53 0.28 -0.55 1.44 -4.36 -1.02 0.13 121.20 116.58 2kha s ILE 26 Ca -0.06 0.05 -0.29 0.00 -0.26 0.00 0.00 60.65 60.09 2kha s ILE 26 Cb -0.04 -0.37 -0.11 0.00 1.25 0.00 0.00 42.46 43.19 2kha s ILE 26 CO 0.00 0.18 2.42 -2.65 0.24 0.00 0.00 174.94 175.14 2kha n PRO 27 N 4.29 0.90 -2.01 0.37 -0.02 -1.26 -1.78 135.00 135.50 2kha n PRO 27 Ca -0.23 0.10 -0.35 0.00 -2.02 0.00 0.00 63.50 61.00 2kha n PRO 27 Cb 0.50 -2.82 0.03 0.00 -0.02 0.00 0.00 33.50 31.19 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 10.29 5.30 -0.30 2.55 2.15 0.12 -4.57 116.67 132.21 2kha s ASP 28 Ca 1.09 2.22 0.20 0.00 0.43 0.00 0.00 52.55 56.49 2kha s ASP 28 Cb -0.55 -2.58 0.48 0.00 -0.30 0.00 0.00 42.92 39.97 2kha s ASP 28 CO 0.36 -1.51 1.02 -0.67 -0.17 0.00 0.00 175.17 174.20 2kha n ASP 29 N -1.75 1.51 -2.34 -0.34 2.03 -1.26 -4.78 116.55 109.62 2kha n ASP 29 Ca 0.12 -2.44 -0.16 0.00 0.52 0.00 0.00 54.79 52.84 2kha n ASP 29 Cb 0.51 -0.51 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 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 -0.28 -0.10 0.59 0.27 0.00 -1.26 -5.02 105.19 99.39 2kha n GLY 30 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.15 -3.87 0.00 1.61 3.72 -1.26 -4.81 117.46 108.69 2kha n PHE 31 Ca -0.04 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2kha n PHE 31 Cb 0.56 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 -3.16 2.05 -3.77 4.37 7.64 1.53 -4.90 113.62 117.39 2kha n SER 32 Ca 0.03 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.77 2kha n SER 32 Cb 0.09 0.26 -0.14 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.95 0.91 -0.32 -3.43 2.96 -1.08 -4.46 118.68 111.32 2kha s LEU 33 Ca 0.00 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 2kha s LEU 33 Cb 0.00 0.36 0.09 0.00 0.50 0.00 0.00 46.19 47.14 2kha s LEU 33 CO 0.00 -0.13 0.04 0.12 -1.32 0.00 0.00 176.35 175.06 2kha s PHE 34 N 0.93 3.29 -0.22 5.38 5.36 -0.73 0.15 117.98 132.15 2kha s PHE 34 Ca -0.07 -2.65 -0.09 0.00 -0.96 0.00 0.00 56.93 53.15 2kha s PHE 34 Cb -0.09 -2.55 -0.05 0.00 -0.34 0.00 0.00 43.02 40.00 2kha s PHE 34 CO -0.05 -0.92 0.12 0.00 -1.46 0.00 0.00 175.22 172.92 2kha s ALA 35 N 1.07 3.54 -0.13 11.12 0.00 0.33 -0.62 121.76 137.07 2kha s ALA 35 Ca 0.08 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 2kha s ALA 35 Cb -0.19 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 2kha s ALA 35 CO -0.10 -0.06 -0.11 0.12 0.00 0.00 0.00 175.76 175.61 2kha s PHE 36 N 0.81 2.87 -0.13 0.00 2.19 -0.99 0.13 117.98 122.85 2kha s PHE 36 Ca 0.06 -0.53 -0.00 0.00 0.33 0.00 0.00 56.93 56.80 2kha s PHE 36 Cb -0.13 -1.86 0.03 0.00 -1.31 0.00 0.00 43.02 39.74 2kha s PHE 36 CO 0.02 -0.14 -0.09 -1.01 1.83 0.00 0.00 175.22 175.83 2kha s HIS 37 N 0.29 1.71 -0.20 10.12 3.76 -0.71 -2.27 115.29 127.99 2kha s HIS 37 Ca -0.08 -0.93 -0.18 0.00 -0.15 0.00 0.00 55.06 53.72 2kha s HIS 37 Cb -0.15 -1.34 0.05 0.00 1.11 0.00 0.00 32.58 32.25 2kha s HIS 37 CO 0.05 -0.57 0.53 0.20 -0.85 0.00 0.00 174.74 174.09 2kha s GLY 38 N 1.64 -0.40 -0.01 -2.22 0.00 -0.64 -0.34 107.32 105.34 2kha s GLY 38 Ca 0.04 1.52 0.04 0.00 0.00 0.00 0.00 44.72 46.32 2kha s GLY 38 CO -0.09 1.34 -0.10 1.25 0.00 0.00 0.00 173.10 175.50 2kha s LYS 39 N 0.36 2.50 0.01 2.90 2.47 0.59 0.20 119.74 128.76 2kha s LYS 39 Ca -0.01 -0.73 -0.09 0.00 -1.56 0.00 0.00 55.97 53.58 2kha s LYS 39 Cb -0.04 -2.44 -0.05 0.00 -1.46 0.00 0.00 37.83 33.84 2kha s LYS 39 CO -0.00 0.61 0.32 -1.17 0.16 0.00 0.00 175.35 175.26 2kha s LEU 40 N -1.20 4.39 -1.50 5.43 2.96 -1.26 -2.19 118.68 125.30 2kha s LEU 40 Ca 0.15 0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 54.74 2kha s LEU 40 Cb -0.11 -2.65 0.02 0.00 0.50 0.00 0.00 46.19 43.95 2kha s LEU 40 CO 0.05 0.27 0.27 -0.46 -1.32 0.00 0.00 176.35 175.16 2kha n ASN 41 N 1.34 -0.01 0.00 3.68 0.23 0.19 -4.90 115.26 115.79 2kha n ASN 41 Ca -0.12 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 52.80 2kha n ASN 41 Cb 0.53 -2.36 0.00 0.00 -2.08 0.00 0.00 39.78 35.87 2kha n ASN 41 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2kha n GLU 42 N -4.47 0.00 0.00 -3.83 2.13 -1.26 -5.02 120.64 108.19 2kha n GLU 42 Ca -0.28 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.54 2kha n GLU 42 Cb 0.67 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.38 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 -1.33 -3.51 5.31 1.02 -1.26 -4.62 120.64 116.24 2kha n GLU 43 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2kha n GLU 43 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2kha n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kha s MET 44 N -2.47 0.84 -0.40 3.49 0.23 -1.26 -4.95 119.30 114.79 2kha s MET 44 Ca 0.00 -0.14 0.09 0.00 -1.03 0.00 0.00 55.69 54.61 2kha s MET 44 Cb 0.00 0.39 0.29 0.00 -1.53 0.00 0.00 34.83 33.99 2kha s MET 44 CO 0.00 -0.33 0.68 -3.47 -2.03 0.00 0.00 175.02 169.87 2kha n ASP 45 N 0.12 -0.01 0.00 -1.18 2.03 -1.26 -4.92 116.55 111.33 2kha n ASP 45 Ca -0.11 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.25 2kha n ASP 45 Cb 0.61 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 2kha n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kha n GLY 46 N 0.90 -0.19 2.68 0.27 0.00 -1.26 -4.98 105.19 102.62 2kha n GLY 46 Ca 0.20 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 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 4.39 -4.86 0.99 4.77 -1.26 -4.98 117.00 116.05 2kha n LEU 47 Ca 0.00 -5.54 -0.32 0.00 -0.03 0.00 0.00 56.01 50.12 2kha n LEU 47 Cb 0.00 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 2kha n LEU 47 CO 0.00 2.17 0.36 -1.83 -1.33 0.00 0.00 177.39 176.76 2kha s GLU 48 N -3.02 3.91 0.61 3.23 -1.05 -1.26 -4.95 118.70 116.17 2kha s GLU 48 Ca 0.43 0.52 0.30 0.00 -0.15 0.00 0.00 54.97 56.07 2kha s GLU 48 Cb 0.20 -2.49 1.61 0.00 -0.44 0.00 0.00 34.13 33.01 2kha s GLU 48 CO -0.07 0.19 2.00 0.00 0.95 0.00 0.00 175.26 178.32 2kha h ALA 49 N 2.23 1.82 -0.33 -0.84 0.00 -1.99 -3.45 119.26 116.70 2kha h ALA 49 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kha h ALA 49 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kha h ALA 49 CO 0.66 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2kha n GLY 50 N -1.39 2.33 1.48 0.00 0.00 -1.26 -4.48 105.19 101.87 2kha n GLY 50 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 7.81 0.00 -1.98 1.61 -0.00 0.52 -4.74 115.22 118.44 2kha n HIS 51 Ca 0.00 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.93 2kha n HIS 51 Cb 0.00 0.35 -0.06 0.00 -0.12 0.00 0.00 29.99 30.16 2kha n HIS 51 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kha s TRP 52 N -0.79 1.73 -0.57 1.57 0.51 0.33 -4.75 118.94 116.98 2kha s TRP 52 Ca 0.00 0.82 0.03 0.00 -2.12 0.00 0.00 56.10 54.82 2kha s TRP 52 Cb 0.00 -3.95 0.14 0.00 -0.81 0.00 0.00 33.47 28.85 2kha s TRP 52 CO 0.00 -1.63 0.33 0.00 -0.51 0.00 0.00 176.95 175.14 2kha s ALA 53 N 10.94 3.43 -0.11 0.98 0.00 -1.22 -1.62 121.76 134.16 2kha s ALA 53 Ca 0.73 -3.34 -0.06 0.00 0.00 0.00 0.00 51.96 49.29 2kha s ALA 53 Cb -0.07 -2.27 0.05 0.00 0.00 0.00 0.00 23.12 20.83 2kha s ALA 53 CO 0.02 -2.05 0.26 0.50 0.00 0.00 0.00 175.76 174.50 2kha s ARG 54 N -0.39 0.22 -0.06 0.00 3.52 -0.96 -5.01 118.95 116.28 2kha s ARG 54 Ca 0.18 0.54 -0.15 0.00 -0.13 0.00 0.00 55.73 56.18 2kha s ARG 54 Cb -0.23 -0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.01 2kha s ARG 54 CO -0.02 -0.16 0.38 0.16 -0.81 0.00 0.00 175.30 174.85 2kha s ASP 55 N 1.23 6.69 0.23 -2.12 -4.77 -1.26 -2.34 116.67 114.32 2kha s ASP 55 Ca -0.09 0.82 0.09 0.00 -3.30 0.00 0.00 52.55 50.06 2kha s ASP 55 Cb -0.10 -2.23 -0.04 0.00 -1.09 0.00 0.00 42.92 39.46 2kha s ASP 55 CO -0.09 0.24 0.01 -0.63 0.70 0.00 0.00 175.17 175.40 2kha s ILE 56 N -0.50 3.60 -0.29 2.11 1.01 0.21 -4.96 121.20 122.38 2kha s ILE 56 Ca 0.22 -1.69 0.20 0.00 0.00 0.00 0.00 60.65 59.38 2kha s ILE 56 Cb -0.15 -2.88 0.48 0.00 0.01 0.00 0.00 42.46 39.92 2kha s ILE 56 CO 0.10 -0.26 1.18 1.07 0.00 0.00 0.00 174.94 177.03 2kha n THR 57 N -0.58 0.94 -3.15 2.92 5.66 -1.26 -1.77 114.28 117.04 2kha n THR 57 Ca -0.08 -2.53 0.06 0.00 -3.05 0.00 0.00 64.05 58.45 2kha n THR 57 Cb 0.57 1.14 -0.00 0.00 -1.55 0.00 0.00 70.33 70.49 2kha n THR 57 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2kha s LYS 58 N -2.81 0.04 0.00 1.09 2.47 -1.26 -4.99 119.74 114.29 2kha s LYS 58 Ca 0.23 0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.70 2kha s LYS 58 Cb 0.37 0.03 0.00 0.00 -1.46 0.00 0.00 37.83 36.76 2kha s LYS 58 CO -0.05 -0.08 0.00 -2.30 0.16 0.00 0.00 175.35 173.09 2kha n PRO 59 N 5.14 -0.69 0.01 4.03 -0.02 -1.26 -4.80 135.00 137.40 2kha n PRO 59 Ca 0.06 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.53 2kha n PRO 59 Cb 0.58 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.05 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 -1.33 0.03 -2.78 -0.52 4.81 0.19 -4.85 118.16 113.71 2kha n LYS 60 Ca 0.00 0.01 -0.02 0.00 -0.87 0.00 0.00 58.31 57.43 2kha n LYS 60 Cb 0.00 -0.55 0.02 0.00 0.02 0.00 0.00 35.03 34.52 2kha n LYS 60 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2kha s GLU 61 N -2.03 0.49 0.00 1.64 2.12 -1.26 -4.89 118.70 114.77 2kha s GLU 61 Ca -0.02 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.92 2kha s GLU 61 Cb 0.01 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.40 2kha s GLU 61 CO 0.02 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 2kha n GLY 62 N 3.14 0.92 3.47 -1.50 0.00 -1.26 -4.91 105.19 105.04 2kha n GLY 62 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.28 0.84 0.62 1.61 0.52 -1.26 0.12 118.95 121.12 2kha s ARG 63 Ca 0.00 0.44 -0.10 0.00 -0.52 0.00 0.00 55.73 55.55 2kha s ARG 63 Cb 0.00 0.40 -0.02 0.00 0.52 0.00 0.00 34.95 35.85 2kha s ARG 63 CO 0.00 -0.20 0.99 -1.58 0.02 0.00 0.00 175.30 174.54 2kha s TRP 64 N -0.55 3.48 -0.12 -0.53 0.52 -0.73 -0.63 118.94 120.37 2kha s TRP 64 Ca -0.07 1.06 -0.02 0.00 0.02 0.00 0.00 56.10 57.10 2kha s TRP 64 Cb -0.03 -2.76 0.04 0.00 -1.15 0.00 0.00 33.47 29.57 2kha s TRP 64 CO 0.05 -0.79 -0.00 0.99 0.02 0.00 0.00 176.95 177.22 2kha s THR 65 N -3.14 0.54 -1.00 2.01 2.01 -1.26 -2.43 115.64 112.37 2kha s THR 65 Ca 0.55 -0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.27 2kha s THR 65 Cb -0.11 -0.78 0.25 0.00 0.01 0.00 0.00 72.50 71.87 2kha s THR 65 CO 0.51 0.14 0.98 0.12 -0.69 0.00 0.00 174.62 175.67 2kha s PHE 66 N 1.89 4.07 -0.19 4.92 2.19 0.04 -4.93 117.98 125.97 2kha s PHE 66 Ca 0.03 -2.41 -0.18 0.00 0.33 0.00 0.00 56.93 54.70 2kha s PHE 66 Cb -0.14 -3.83 -0.03 0.00 -1.31 0.00 0.00 43.02 37.70 2kha s PHE 66 CO -0.07 -0.97 0.50 1.03 1.83 0.00 0.00 175.22 177.55 2kha s ARG 67 N -0.69 4.20 -0.19 10.12 0.52 -1.26 -2.28 118.95 129.38 2kha s ARG 67 Ca 0.26 0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 55.84 2kha s ARG 67 Cb -0.10 -3.55 0.06 0.00 0.52 0.00 0.00 34.95 31.88 2kha s ARG 67 CO -0.08 -0.10 0.03 0.34 0.02 0.00 0.00 175.30 175.51 2kha s ASP 68 N 1.09 2.91 -0.13 0.23 2.15 0.47 -4.96 116.67 118.42 2kha s ASP 68 Ca 0.24 -0.82 0.05 0.00 0.43 0.00 0.00 52.55 52.45 2kha s ASP 68 Cb -0.15 -0.60 0.37 0.00 -0.30 0.00 0.00 42.92 42.23 2kha s ASP 68 CO 0.10 -0.30 1.16 -1.14 -0.17 0.00 0.00 175.17 174.81 2kha n ARG 69 N 5.05 2.56 -2.64 4.34 0.63 -1.26 0.11 116.66 125.45 2kha n ARG 69 Ca -0.09 -1.46 -0.06 0.00 -0.92 0.00 0.00 57.85 55.33 2kha n ARG 69 Cb 0.47 -1.79 0.04 0.00 0.45 0.00 0.00 32.46 31.63 2kha n ARG 69 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2kha n ASN 70 N 0.17 2.38 -4.32 6.15 3.02 -1.26 -4.66 115.26 116.74 2kha n ASN 70 Ca 0.16 -2.45 -0.38 0.00 -0.03 0.00 0.00 54.58 51.88 2kha n ASN 70 Cb 0.77 -0.45 -0.12 0.00 -0.61 0.00 0.00 39.78 39.37 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kha s ALA 71 N -3.75 3.11 -1.14 5.41 0.00 -1.25 -4.98 121.76 119.16 2kha s ALA 71 Ca 0.33 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.44 2kha s ALA 71 Cb 0.34 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 2kha s ALA 71 CO -0.02 -1.22 1.93 1.17 0.00 0.00 0.00 175.76 177.62 2kha n LYS 72 N 4.87 2.14 -3.57 0.00 4.81 -1.26 -3.14 118.16 122.01 2kha n LYS 72 Ca -0.13 -2.51 -0.37 0.00 -0.87 0.00 0.00 58.31 54.43 2kha n LYS 72 Cb 0.46 -3.39 -0.07 0.00 0.02 0.00 0.00 35.03 32.06 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 5.39 4.32 0.00 3.14 1.43 -1.26 -5.09 118.68 126.61 2kha s LEU 73 Ca 0.59 0.62 0.05 0.00 -1.03 0.00 0.00 54.13 54.36 2kha s LEU 73 Cb 0.07 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 2kha s LEU 73 CO 0.08 0.20 -0.16 -1.59 0.23 0.00 0.00 176.35 175.11 2kha s LYS 74 N -0.13 1.22 0.17 1.70 -2.85 -1.26 -4.87 119.74 113.72 2kha s LYS 74 Ca 0.18 -0.63 -0.33 0.00 -1.00 0.00 0.00 55.97 54.19 2kha s LYS 74 Cb -0.14 -1.20 -0.15 0.00 -2.06 0.00 0.00 37.83 34.28 2kha s LYS 74 CO 0.06 0.32 1.40 -0.11 0.10 0.00 0.00 175.35 177.13 2kha n LEU 75 N 2.48 2.51 0.00 2.77 0.00 -1.24 -1.35 117.00 122.17 2kha n LEU 75 Ca -0.15 1.12 0.00 0.00 0.00 0.00 0.00 56.01 56.98 2kha n LEU 75 Cb 0.54 -1.34 0.00 0.00 0.00 0.00 0.00 43.42 42.62 2kha n LEU 75 CO 0.24 -0.69 0.00 0.61 0.00 0.00 0.00 177.39 177.55 2kha n GLY 76 N 2.60 3.10 3.73 -3.96 0.00 -1.25 -4.82 105.19 104.59 2kha n GLY 76 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 0.54 4.63 0.15 1.61 -1.08 -0.46 -4.79 116.67 117.27 2kha s ASP 77 Ca 0.00 2.49 0.07 0.00 -0.52 0.00 0.00 52.55 54.58 2kha s ASP 77 Cb 0.00 -2.60 -0.04 0.00 -1.46 0.00 0.00 42.92 38.81 2kha s ASP 77 CO 0.00 -1.98 -0.02 -0.75 0.52 0.00 0.00 175.17 172.94 2kha s LYS 78 N -3.52 2.37 0.03 4.34 2.47 -1.26 -1.44 119.74 122.73 2kha s LYS 78 Ca 0.79 -1.05 0.05 0.00 -1.56 0.00 0.00 55.97 54.20 2kha s LYS 78 Cb -0.33 -2.38 -0.03 0.00 -1.46 0.00 0.00 37.83 33.63 2kha s LYS 78 CO 0.40 0.48 -0.09 0.42 0.16 0.00 0.00 175.35 176.71 2kha s ILE 79 N -1.56 3.44 -0.09 5.43 1.09 0.35 -0.63 121.20 129.23 2kha s ILE 79 Ca 0.26 -0.93 -0.04 0.00 -1.10 0.00 0.00 60.65 58.84 2kha s ILE 79 Cb -0.10 -2.51 0.05 0.00 -1.06 0.00 0.00 42.46 38.84 2kha s ILE 79 CO 0.18 0.34 0.19 -0.31 -0.10 0.00 0.00 174.94 175.23 2kha s TYR 80 N -1.02 -0.24 0.14 3.97 2.02 -0.93 -2.10 117.35 119.19 2kha s TYR 80 Ca 0.17 0.67 -0.06 0.00 -0.37 0.00 0.00 57.07 57.48 2kha s TYR 80 Cb -0.11 -0.11 0.02 0.00 -0.40 0.00 0.00 41.96 41.36 2kha s TYR 80 CO 0.08 -0.25 0.32 1.97 -1.57 0.00 0.00 175.55 176.11 2kha n PHE 81 N 4.79 -1.44 -3.68 2.71 -1.74 -1.03 -0.30 117.46 116.77 2kha n PHE 81 Ca -0.15 -0.69 -0.09 0.00 -0.56 0.00 0.00 57.45 55.95 2kha n PHE 81 Cb 0.51 0.34 -0.10 0.00 1.52 0.00 0.00 39.48 41.76 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 -6.08 -0.74 0.07 2.97 1.48 0.54 -1.46 118.94 115.72 2kha s TRP 82 Ca 0.07 1.51 0.03 0.00 -1.06 0.00 0.00 56.10 56.65 2kha s TRP 82 Cb -0.02 0.36 -0.04 0.00 -1.16 0.00 0.00 33.47 32.61 2kha s TRP 82 CO 0.04 -0.41 0.04 0.95 -4.06 0.00 0.00 176.95 173.52 2kha s THR 83 N 1.67 4.32 0.03 0.66 -4.23 -1.07 -1.74 115.64 115.29 2kha s THR 83 Ca -0.08 -0.79 0.05 0.00 -1.18 0.00 0.00 61.69 59.68 2kha s THR 83 Cb -0.08 -3.05 -0.02 0.00 1.34 0.00 0.00 72.50 70.69 2kha s THR 83 CO -0.14 0.17 -0.14 -0.47 -0.54 0.00 0.00 174.62 173.50 2kha s TYR 84 N -1.31 1.27 0.15 3.99 6.14 0.34 0.71 117.35 128.64 2kha s TYR 84 Ca 0.26 -0.34 0.05 0.00 0.64 0.00 0.00 57.07 57.68 2kha s TYR 84 Cb -0.12 -0.76 -0.04 0.00 0.42 0.00 0.00 41.96 41.46 2kha s TYR 84 CO 0.19 0.03 -0.10 0.54 0.64 0.00 0.00 175.55 176.85 2kha s VAL 85 N -0.78 1.21 -0.14 3.14 0.11 0.14 0.12 120.40 124.20 2kha s VAL 85 Ca 0.02 -2.07 -0.01 0.00 -2.93 0.00 0.00 61.98 57.00 2kha s VAL 85 Cb -0.08 -1.88 0.03 0.00 -1.53 0.00 0.00 36.38 32.92 2kha s VAL 85 CO 0.01 -0.72 -0.06 -0.63 -3.33 0.00 0.00 175.10 170.37 2kha s ILE 86 N -3.30 1.03 -0.70 7.04 -1.09 0.39 -2.00 121.20 122.56 2kha s ILE 86 Ca 0.18 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.18 2kha s ILE 86 Cb 0.02 -1.14 0.36 0.00 -1.58 0.00 0.00 42.46 40.13 2kha s ILE 86 CO 0.01 0.24 1.43 1.17 -1.23 0.00 0.00 174.94 176.56 2kha n LYS 87 N 4.92 3.68 -2.16 2.79 0.00 -0.85 0.44 118.16 126.99 2kha n LYS 87 Ca -0.12 -4.43 -0.02 0.00 0.00 0.00 0.00 58.31 53.75 2kha n LYS 87 Cb 0.49 -2.30 0.01 0.00 0.00 0.00 0.00 35.03 33.23 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 -0.34 -4.23 -0.91 3.14 2.03 -1.26 -3.90 116.55 111.08 2kha n ASP 88 Ca 0.42 -0.10 -0.10 0.00 0.52 0.00 0.00 54.79 55.53 2kha n ASP 88 Cb 0.40 -2.66 -0.03 0.00 -0.72 0.00 0.00 41.12 38.11 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 -1.33 0.75 2.49 0.27 0.00 -1.26 -4.95 105.19 101.15 2kha n GLY 89 Ca -0.01 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.26 -1.32 -4.98 0.99 4.77 -1.25 -5.14 117.00 108.81 2kha n LEU 90 Ca -0.11 -3.97 -0.20 0.00 -0.03 0.00 0.00 56.01 51.70 2kha n LEU 90 Cb 0.42 0.62 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 2kha n LEU 90 CO 0.15 1.90 0.16 -0.83 -1.33 0.00 0.00 177.39 177.43 2kha s GLY 91 N 0.16 1.65 -0.01 -0.72 0.00 -1.24 -2.00 107.32 105.15 2kha s GLY 91 Ca 0.32 -1.36 -0.18 0.00 0.00 0.00 0.00 44.72 43.50 2kha s GLY 91 CO -0.16 -1.23 0.39 -0.19 0.00 0.00 0.00 173.10 171.92 2kha s TYR 92 N -2.35 -0.28 0.04 1.90 1.51 -0.85 -4.93 117.35 112.39 2kha s TYR 92 Ca 0.48 0.41 0.05 0.00 -1.01 0.00 0.00 57.07 57.00 2kha s TYR 92 Cb -0.10 0.17 -0.02 0.00 -0.11 0.00 0.00 41.96 41.90 2kha s TYR 92 CO 0.34 -0.46 -0.15 -0.98 -1.11 0.00 0.00 175.55 173.18 2kha s ARG 93 N -1.52 1.04 -1.12 -0.62 1.70 -1.25 -0.68 118.95 116.50 2kha s ARG 93 Ca -0.12 -0.79 -0.08 0.00 -0.47 0.00 0.00 55.73 54.28 2kha s ARG 93 Cb -0.03 -1.07 0.28 0.00 -0.57 0.00 0.00 34.95 33.56 2kha s ARG 93 CO 0.04 0.27 1.22 0.94 -1.08 0.00 0.00 175.30 176.69 2kha n GLN 94 N 1.91 3.76 -2.03 3.89 7.27 0.22 -4.83 117.38 127.57 2kha n GLN 94 Ca -0.18 -4.45 -0.29 0.00 0.07 0.00 0.00 57.00 52.15 2kha n GLN 94 Cb 0.54 -2.56 0.18 0.00 2.41 0.00 0.00 30.24 30.81 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 0.65 3.17 -1.98 1.69 1.47 -1.26 -2.61 116.67 117.80 2kha s ASP 95 Ca 0.32 0.13 0.00 0.00 1.18 0.00 0.00 52.55 54.17 2kha s ASP 95 Cb -0.06 -0.17 0.00 0.00 -0.34 0.00 0.00 42.92 42.35 2kha s ASP 95 CO -0.03 -2.68 0.00 -3.20 0.68 0.00 0.00 175.17 169.94 2kha n ASN 96 N -3.67 -5.44 -4.85 2.11 2.85 -1.17 -4.91 115.26 100.17 2kha n ASN 96 Ca 0.16 0.46 -0.30 0.00 -0.11 0.00 0.00 54.58 54.79 2kha n ASN 96 Cb 0.59 -4.66 0.08 0.00 1.24 0.00 0.00 39.78 37.04 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 -2.67 1.61 0.07 8.20 0.00 -0.53 -4.92 107.32 109.08 2kha s GLY 97 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 44.72 44.16 2kha s GLY 97 CO 0.00 0.06 0.43 -1.83 0.00 0.00 0.00 173.10 171.76 2kha s GLU 98 N -5.32 1.00 0.20 2.90 -1.05 -1.26 -2.45 118.70 112.72 2kha s GLU 98 Ca 0.61 -0.45 -0.16 0.00 -0.15 0.00 0.00 54.97 54.81 2kha s GLU 98 Cb -0.13 0.45 0.02 0.00 -0.44 0.00 0.00 34.13 34.03 2kha s GLU 98 CO 0.52 -0.37 0.50 -0.46 0.95 0.00 0.00 175.26 176.41 2kha s TRP 99 N -2.94 -0.02 0.29 4.83 -0.00 -0.89 -4.95 118.94 115.26 2kha s TRP 99 Ca -0.02 -0.33 0.09 0.00 -0.00 0.00 0.00 56.10 55.83 2kha s TRP 99 Cb 0.00 0.34 -0.04 0.00 -0.00 0.00 0.00 33.47 33.77 2kha s TRP 99 CO -0.06 -0.92 0.10 -0.08 -0.00 0.00 0.00 176.95 175.99 2kha s THR 100 N -3.90 3.50 0.00 5.86 -1.32 -1.26 0.13 115.64 118.65 2kha s THR 100 Ca 0.11 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 2kha s THR 100 Cb -0.01 -3.01 0.00 0.00 -1.51 0.00 0.00 72.50 67.97 2kha s THR 100 CO -0.01 -0.30 0.34 0.52 -2.21 0.00 0.00 174.62 172.96 2kha n VAL 101 N -1.06 0.00 0.21 5.08 0.31 -0.52 -4.67 118.33 117.68 2kha n VAL 101 Ca -0.05 -0.49 0.10 0.00 -0.01 0.00 0.00 64.34 63.89 2kha n VAL 101 Cb 0.60 1.02 0.52 0.00 -0.91 0.00 0.00 33.84 35.06 2kha n VAL 101 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2kha n THR 102 N -0.31 1.07 -4.20 2.52 -1.04 -1.26 -3.67 114.28 107.39 2kha n THR 102 Ca 0.00 0.61 -0.18 0.00 -2.04 0.00 0.00 64.05 62.44 2kha n THR 102 Cb 0.00 -1.59 -0.12 0.00 -1.82 0.00 0.00 70.33 66.80 2kha n THR 102 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2kha s GLU 103 N -3.45 0.79 0.18 -2.82 2.12 -1.26 -4.74 118.70 109.52 2kha s GLU 103 Ca -0.01 -0.85 0.05 0.00 0.36 0.00 0.00 54.97 54.52 2kha s GLU 103 Cb 0.06 -0.76 -0.05 0.00 0.26 0.00 0.00 34.13 33.64 2kha s GLU 103 CO 0.22 0.17 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.97 2kha s PHE 104 N -1.14 1.43 0.17 5.30 0.40 -1.26 -3.88 117.98 119.00 2kha s PHE 104 Ca -0.02 -0.76 0.11 0.00 -0.60 0.00 0.00 56.93 55.65 2kha s PHE 104 Cb -0.09 -0.74 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 2kha s PHE 104 CO 0.02 0.11 -0.22 0.14 0.70 0.00 0.00 175.22 175.97 2kha s VAL 105 N -3.28 2.52 0.58 -0.44 -7.23 0.34 0.15 120.40 113.04 2kha s VAL 105 Ca 0.21 -1.85 -0.15 0.00 -1.81 0.00 0.00 61.98 58.37 2kha s VAL 105 Cb 0.03 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 2kha s VAL 105 CO 0.04 -0.04 1.03 0.21 -0.31 0.00 0.00 175.10 176.03 2kha s ASN 106 N -2.50 6.06 0.43 4.85 2.47 1.38 -4.19 114.94 123.44 2kha s ASN 106 Ca 0.20 1.70 0.23 0.00 0.42 0.00 0.00 52.86 55.41 2kha s ASN 106 Cb -0.09 -2.52 1.26 0.00 -1.45 0.00 0.00 41.25 38.45 2kha s ASN 106 CO 0.10 -0.97 1.67 -0.33 -3.72 0.00 0.00 177.10 173.85 2kha h GLU 107 N 0.48 0.00 -0.01 0.43 5.08 -1.93 0.82 114.58 119.45 2kha h GLU 107 Ca -0.46 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.74 2kha h GLU 107 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2kha h GLU 107 CO 0.59 0.00 -0.72 -0.44 -1.00 0.00 0.00 179.01 177.44 2kha h ASP 108 N 0.00 0.08 0.00 1.42 5.19 -2.02 -3.47 116.42 117.62 2kha h ASP 108 Ca 0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2kha h ASP 108 Cb 0.32 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2kha h ASP 108 CO 0.00 0.78 0.00 0.61 -3.12 0.00 0.00 179.24 177.51 2kha n GLY 109 N 0.54 1.69 3.22 2.75 0.00 0.28 -5.13 105.19 108.54 2kha n GLY 109 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 1.04 0.07 2.61 -4.23 -1.23 -4.84 115.64 107.05 2kha s THR 110 Ca 0.00 -1.95 -0.36 0.00 -1.18 0.00 0.00 61.69 58.20 2kha s THR 110 Cb 0.00 -1.72 -0.16 0.00 1.34 0.00 0.00 72.50 71.96 2kha s THR 110 CO 0.00 -0.73 1.45 -2.65 -0.54 0.00 0.00 174.62 172.15 2kha n PRO 111 N -0.01 1.41 -2.95 3.99 -0.02 -1.26 0.41 135.00 136.56 2kha n PRO 111 Ca -0.12 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 2kha n PRO 111 Cb 0.60 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 2kha n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kha s ALA 112 N 0.96 3.24 0.35 3.55 0.00 0.38 -4.54 121.76 125.69 2kha s ALA 112 Ca 0.85 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2kha s ALA 112 Cb -0.89 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2kha s ALA 112 CO 0.47 -2.26 0.00 -3.47 0.00 0.00 0.00 175.76 170.50 2kha n ASP 113 N 7.00 -5.40 -3.76 0.00 2.03 -1.26 -4.59 116.55 110.57 2kha n ASP 113 Ca -0.01 0.76 -0.24 0.00 0.52 0.00 0.00 54.79 55.81 2kha n ASP 113 Cb 0.47 -3.64 0.02 0.00 -0.72 0.00 0.00 41.12 37.25 2kha n ASP 113 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2kha n THR 114 N -3.62 -4.51 -3.86 5.18 -2.24 -1.26 -4.82 114.28 99.15 2kha n THR 114 Ca -0.04 -0.63 -0.09 0.00 -2.27 0.00 0.00 64.05 61.02 2kha n THR 114 Cb 0.56 -3.65 -0.00 0.00 -2.10 0.00 0.00 70.33 65.14 2kha n THR 114 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2kha s SER 115 N -4.14 -0.03 -0.30 3.42 1.04 -1.26 -4.98 113.70 107.44 2kha s SER 115 Ca 0.12 -0.96 0.05 0.00 0.48 0.00 0.00 55.95 55.64 2kha s SER 115 Cb -0.04 0.77 0.19 0.00 0.10 0.00 0.00 66.02 67.04 2kha s SER 115 CO 0.84 -1.50 1.12 0.00 0.98 0.00 0.00 173.24 174.69 2kha n LEU 116 N -0.50 -1.24 -4.83 2.42 -0.00 -1.26 -5.14 117.00 106.45 2kha n LEU 116 Ca -0.06 -2.32 -0.32 0.00 -0.00 0.00 0.00 56.01 53.31 2kha n LEU 116 Cb 0.60 0.55 -0.01 0.00 -0.00 0.00 0.00 43.42 44.55 2kha n LEU 116 CO 0.22 1.40 0.70 -1.61 -0.00 0.00 0.00 177.39 178.10 2kha s GLU 117 N 0.09 3.70 0.00 1.47 2.02 -1.26 -5.25 118.70 119.47 2kha s GLU 117 Ca 0.09 1.01 0.16 0.00 0.02 0.00 0.00 54.97 56.25 2kha s GLU 117 Cb 0.19 -2.10 0.95 0.00 0.10 0.00 0.00 34.13 33.28 2kha s GLU 117 CO -0.05 -0.48 1.36 -0.35 0.02 0.00 0.00 175.26 175.76