#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 1.65 0.26 1.08 5.04 -1.26 -5.13 117.35 118.98 2kha s TYR 7 Ca 0.00 -0.45 0.08 0.00 -2.44 0.00 0.00 57.07 54.26 2kha s TYR 7 Cb 0.00 -2.64 -0.05 0.00 0.35 0.00 0.00 41.96 39.62 2kha s TYR 7 CO 0.00 -1.38 -0.11 0.08 -1.34 0.00 0.00 175.55 172.80 2kha s VAL 8 N -2.89 1.85 0.16 3.14 1.01 -1.26 -5.03 120.40 117.38 2kha s VAL 8 Ca 0.63 -2.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.10 2kha s VAL 8 Cb -0.06 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 2kha s VAL 8 CO 0.41 -0.42 1.47 0.54 0.00 0.00 0.00 175.10 177.10 2kha s VAL 9 N -2.89 2.92 1.03 2.92 0.11 -1.26 -4.99 120.40 118.22 2kha s VAL 9 Ca 0.27 0.68 -0.17 0.00 -2.93 0.00 0.00 61.98 59.83 2kha s VAL 9 Cb 0.01 -3.43 0.26 0.00 -1.53 0.00 0.00 36.38 31.68 2kha s VAL 9 CO 0.11 0.06 0.76 -2.65 -3.33 0.00 0.00 175.10 170.05 2kha n PRO 10 N 3.63 -3.36 -4.30 1.54 -0.02 -1.26 -4.81 135.00 126.43 2kha n PRO 10 Ca 0.11 -1.24 -0.34 0.00 -2.02 0.00 0.00 63.50 60.01 2kha n PRO 10 Cb 0.40 -1.34 -0.12 0.00 -0.02 0.00 0.00 33.50 32.42 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 -3.36 4.99 -0.70 2.55 0.15 -1.26 -4.66 113.70 111.41 2kha s SER 11 Ca 0.53 -0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.83 2kha s SER 11 Cb -0.07 -1.83 0.03 0.00 -1.71 0.00 0.00 66.02 62.45 2kha s SER 11 CO 0.42 0.17 1.22 0.00 1.20 0.00 0.00 173.24 176.25 2kha s ALA 12 N 0.39 2.84 -0.69 5.45 0.00 -1.25 -3.98 121.76 124.52 2kha s ALA 12 Ca -0.02 -1.33 -0.25 0.00 0.00 0.00 0.00 51.96 50.36 2kha s ALA 12 Cb -0.14 -4.17 0.05 0.00 0.00 0.00 0.00 23.12 18.86 2kha s ALA 12 CO 0.02 -3.11 1.14 0.21 0.00 0.00 0.00 175.76 174.03 2kha s LYS 13 N 5.39 3.19 0.33 0.00 2.20 0.30 -4.78 119.74 126.37 2kha s LYS 13 Ca 0.35 -0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 55.51 2kha s LYS 13 Cb -0.09 -4.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.01 2kha s LYS 13 CO 0.16 -1.97 0.56 -0.51 -0.36 0.00 0.00 175.35 173.24 2kha s LEU 14 N 5.00 4.00 -0.10 5.43 1.02 -1.26 -1.48 118.68 131.30 2kha s LEU 14 Ca 0.30 0.60 -0.12 0.00 0.02 0.00 0.00 54.13 54.94 2kha s LEU 14 Cb -0.11 -3.45 0.03 0.00 0.02 0.00 0.00 46.19 42.68 2kha s LEU 14 CO 0.14 -0.27 0.31 -1.61 0.02 0.00 0.00 176.35 174.94 2kha s GLU 15 N -3.99 0.43 -0.44 1.70 0.41 0.05 -4.96 118.70 111.90 2kha s GLU 15 Ca 0.42 0.30 -0.24 0.00 -0.41 0.00 0.00 54.97 55.04 2kha s GLU 15 Cb -0.10 0.21 0.02 0.00 -1.78 0.00 0.00 34.13 32.48 2kha s GLU 15 CO 0.34 -0.07 0.85 0.00 -0.49 0.00 0.00 175.26 175.88 2kha s ALA 16 N -0.17 3.28 0.38 5.21 0.00 -1.25 -2.32 121.76 126.90 2kha s ALA 16 Ca -0.03 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.89 2kha s ALA 16 Cb -0.03 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 2kha s ALA 16 CO 0.01 -1.93 0.83 0.42 0.00 0.00 0.00 175.76 175.09 2kha s ILE 17 N 3.47 4.58 0.01 0.00 -1.09 -1.07 0.13 121.20 127.23 2kha s ILE 17 Ca 0.33 1.12 0.05 0.00 -2.23 0.00 0.00 60.65 59.92 2kha s ILE 17 Cb -0.11 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 2kha s ILE 17 CO 0.24 -0.31 -0.13 -0.47 -1.23 0.00 0.00 174.94 173.03 2kha s TYR 18 N -2.15 2.70 -2.31 3.97 5.04 -1.25 -2.80 117.35 120.55 2kha s TYR 18 Ca 0.57 -0.17 0.22 0.00 -2.44 0.00 0.00 57.07 55.26 2kha s TYR 18 Cb -0.10 -1.54 0.82 0.00 0.35 0.00 0.00 41.96 41.49 2kha s TYR 18 CO 0.19 0.28 1.59 -0.35 -1.34 0.00 0.00 175.55 175.91 2kha n PRO 19 N 1.70 1.70 -3.11 4.97 -0.05 -1.26 -4.82 135.00 134.12 2kha n PRO 19 Ca -0.16 -1.05 0.04 0.00 -0.05 0.00 0.00 63.50 62.29 2kha n PRO 19 Cb 0.52 -1.41 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 1.03 -0.05 0.00 0.00 175.50 176.48 2kha s ARG 20 N -1.83 0.30 0.06 0.54 0.52 -1.19 -4.92 118.95 112.41 2kha s ARG 20 Ca 0.33 0.21 -0.16 0.00 -0.52 0.00 0.00 55.73 55.59 2kha s ARG 20 Cb 0.18 0.11 0.05 0.00 0.52 0.00 0.00 34.95 35.82 2kha s ARG 20 CO 0.28 -0.53 0.75 0.41 0.02 0.00 0.00 175.30 176.23 2kha n GLY 21 N 5.00 0.62 3.56 -3.53 0.00 -1.12 -4.32 105.19 105.40 2kha n GLY 21 Ca 0.08 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.62 -0.14 0.99 1.98 0.32 -2.59 118.68 118.62 2kha s LEU 22 Ca 0.17 1.34 0.00 0.00 -2.89 0.00 0.00 54.13 52.76 2kha s LEU 22 Cb -0.01 2.19 0.02 0.00 0.66 0.00 0.00 46.19 49.05 2kha s LEU 22 CO 0.02 -0.23 -0.12 -0.60 -1.89 0.00 0.00 176.35 173.53 2kha s ARG 23 N 0.98 2.02 0.10 1.98 3.00 -0.98 0.85 118.95 126.89 2kha s ARG 23 Ca -0.05 -0.46 0.10 0.00 -1.00 0.00 0.00 55.73 54.32 2kha s ARG 23 Cb -0.05 -1.94 -0.04 0.00 0.00 0.00 0.00 34.95 32.92 2kha s ARG 23 CO -0.09 -0.26 -0.27 0.08 0.00 0.00 0.00 175.30 174.77 2kha s VAL 24 N 1.56 2.20 -0.00 7.11 1.01 0.18 -0.77 120.40 131.69 2kha s VAL 24 Ca 0.05 -1.61 -0.07 0.00 0.00 0.00 0.00 61.98 60.35 2kha s VAL 24 Cb -0.13 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2kha s VAL 24 CO -0.10 0.20 0.13 -0.44 0.00 0.00 0.00 175.10 174.89 2kha s SER 25 N -1.73 0.01 -0.11 3.32 0.01 -0.55 -0.30 113.70 114.34 2kha s SER 25 Ca 0.13 -0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.18 2kha s SER 25 Cb -0.10 0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.40 2kha s SER 25 CO 0.04 -0.33 0.25 0.27 0.41 0.00 0.00 173.24 173.88 2kha s ILE 26 N -1.22 -0.17 -0.28 1.44 -4.36 -1.04 0.11 121.20 115.67 2kha s ILE 26 Ca -0.13 0.20 -0.38 0.00 -0.26 0.00 0.00 60.65 60.08 2kha s ILE 26 Cb -0.07 -0.40 -0.14 0.00 1.25 0.00 0.00 42.46 43.10 2kha s ILE 26 CO 0.01 0.08 1.93 -2.65 0.24 0.00 0.00 174.94 174.56 2kha n PRO 27 N 4.64 1.23 -2.75 0.37 -0.02 -1.26 -1.29 135.00 135.94 2kha n PRO 27 Ca -0.18 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 2kha n PRO 27 Cb 0.52 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 4.97 6.63 -0.70 2.55 2.15 0.28 -4.59 116.67 127.96 2kha s ASP 28 Ca 1.02 0.45 -0.01 0.00 0.43 0.00 0.00 52.55 54.43 2kha s ASP 28 Cb -0.96 -2.49 0.42 0.00 -0.30 0.00 0.00 42.92 39.59 2kha s ASP 28 CO 0.58 -1.02 1.97 -0.67 -0.17 0.00 0.00 175.17 175.87 2kha n ASP 29 N 7.17 7.46 -2.36 -0.34 2.03 -1.26 -4.56 116.55 124.68 2kha n ASP 29 Ca 0.08 -3.80 -0.19 0.00 0.52 0.00 0.00 54.79 51.40 2kha n ASP 29 Cb 0.48 -0.97 0.01 0.00 -0.72 0.00 0.00 41.12 39.92 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 -0.78 -0.41 0.00 0.27 0.00 -1.26 -4.99 105.19 98.02 2kha n GLY 30 Ca 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 0.00 1.61 3.72 -1.26 -4.75 117.46 112.62 2kha n PHE 31 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2kha n PHE 31 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 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 0.00 0.00 -3.80 4.37 2.88 0.72 -3.92 113.62 113.87 2kha n SER 32 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 2kha n SER 32 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 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 0.00 1.28 -0.37 2.46 2.96 -0.98 -4.67 118.68 119.36 2kha s LEU 33 Ca 0.00 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 2kha s LEU 33 Cb 0.00 -0.10 0.11 0.00 0.50 0.00 0.00 46.19 46.70 2kha s LEU 33 CO 0.00 -0.09 0.10 0.12 -1.32 0.00 0.00 176.35 175.15 2kha s PHE 34 N 0.84 3.27 -0.28 5.38 5.36 0.58 0.32 117.98 133.46 2kha s PHE 34 Ca -0.07 -2.81 -0.10 0.00 -0.96 0.00 0.00 56.93 52.99 2kha s PHE 34 Cb -0.11 -2.67 -0.04 0.00 -0.34 0.00 0.00 43.02 39.86 2kha s PHE 34 CO -0.02 -0.90 0.16 0.00 -1.46 0.00 0.00 175.22 173.00 2kha s ALA 35 N 0.80 3.39 -0.18 11.12 0.00 0.51 0.75 121.76 138.15 2kha s ALA 35 Ca 0.12 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 2kha s ALA 35 Cb -0.20 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 2kha s ALA 35 CO -0.09 -0.61 0.03 0.12 0.00 0.00 0.00 175.76 175.20 2kha s PHE 36 N 1.70 3.14 -0.13 0.00 2.19 -0.69 0.12 117.98 124.31 2kha s PHE 36 Ca 0.06 -0.14 0.01 0.00 0.33 0.00 0.00 56.93 57.19 2kha s PHE 36 Cb -0.16 -2.06 0.02 0.00 -1.31 0.00 0.00 43.02 39.51 2kha s PHE 36 CO 0.08 0.01 -0.13 -1.01 1.83 0.00 0.00 175.22 175.99 2kha s HIS 37 N 0.56 1.98 -0.14 10.12 3.76 -0.69 -2.12 115.29 128.76 2kha s HIS 37 Ca 0.01 -1.03 -0.29 0.00 -0.15 0.00 0.00 55.06 53.61 2kha s HIS 37 Cb -0.13 -1.47 0.07 0.00 1.11 0.00 0.00 32.58 32.16 2kha s HIS 37 CO 0.02 -0.57 0.70 0.20 -0.85 0.00 0.00 174.74 174.23 2kha s GLY 38 N 1.33 -0.56 0.29 -2.22 0.00 -0.70 -0.27 107.32 105.19 2kha s GLY 38 Ca 0.01 1.61 0.11 0.00 0.00 0.00 0.00 44.72 46.44 2kha s GLY 38 CO -0.07 1.28 -0.16 -1.59 0.00 0.00 0.00 173.10 172.56 2kha s LYS 39 N -0.55 1.69 -0.30 2.90 0.00 0.21 0.13 119.74 123.81 2kha s LYS 39 Ca -0.07 -1.80 -0.15 0.00 0.00 0.00 0.00 55.97 53.95 2kha s LYS 39 Cb -0.02 -1.67 -0.03 0.00 0.00 0.00 0.00 37.83 36.11 2kha s LYS 39 CO 0.06 0.25 0.36 -1.17 0.00 0.00 0.00 175.35 174.85 2kha s LEU 40 N -3.52 4.18 -0.72 2.77 2.96 -1.26 -2.40 118.68 120.69 2kha s LEU 40 Ca 0.30 0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2kha s LEU 40 Cb -0.02 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.30 2kha s LEU 40 CO 0.15 -0.24 0.68 -3.20 -1.32 0.00 0.00 176.35 172.42 2kha n ASN 41 N 5.34 -7.47 0.00 3.68 5.15 -0.41 -5.01 115.26 116.54 2kha n ASN 41 Ca -0.09 -0.12 0.00 0.00 -0.60 0.00 0.00 54.58 53.77 2kha n ASN 41 Cb 0.50 -4.89 0.00 0.00 -0.53 0.00 0.00 39.78 34.86 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 -1.73 0.00 0.00 1.20 2.13 -1.26 -5.07 120.64 115.90 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 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 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 -3.70 5.31 1.02 -1.26 -4.64 120.64 116.73 2kha n GLU 43 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2kha n GLU 43 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 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 -1.82 0.74 -0.44 3.49 -1.94 -1.26 -4.99 119.30 113.08 2kha s MET 44 Ca 0.00 -0.03 0.04 0.00 -1.71 0.00 0.00 55.69 53.98 2kha s MET 44 Cb 0.00 0.34 0.16 0.00 2.01 0.00 0.00 34.83 37.34 2kha s MET 44 CO 0.00 -0.21 0.34 0.34 -0.01 0.00 0.00 175.02 175.48 2kha s ASP 45 N -1.18 2.11 0.00 3.03 -1.08 -1.26 -4.95 116.67 113.33 2kha s ASP 45 Ca -0.12 -3.03 0.00 0.00 -0.52 0.00 0.00 52.55 48.88 2kha s ASP 45 Cb -0.04 -0.60 0.00 0.00 -1.46 0.00 0.00 42.92 40.83 2kha s ASP 45 CO 0.05 -0.18 0.00 0.61 0.52 0.00 0.00 175.17 176.17 2kha n GLY 46 N 2.93 -1.27 0.65 2.66 0.00 -1.26 -4.86 105.19 104.03 2kha n GLY 46 Ca 0.25 -0.63 -0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.15 -4.72 0.99 4.77 -1.26 -4.91 117.00 111.71 2kha n LEU 47 Ca 0.00 0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.64 2kha n LEU 47 Cb 0.00 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 2kha n LEU 47 CO 0.00 -0.06 -0.27 -1.61 -1.33 0.00 0.00 177.39 174.12 2kha s GLU 48 N -0.05 3.24 0.51 3.23 2.02 -1.26 -4.99 118.70 121.40 2kha s GLU 48 Ca 0.00 -0.33 0.25 0.00 0.02 0.00 0.00 54.97 54.91 2kha s GLU 48 Cb -0.00 -2.95 1.35 0.00 0.10 0.00 0.00 34.13 32.63 2kha s GLU 48 CO 0.00 0.66 1.95 0.00 0.02 0.00 0.00 175.26 177.89 2kha h ALA 49 N 5.33 2.52 -0.42 5.21 0.00 -1.98 -3.45 119.26 126.47 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 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kha h ALA 49 CO 0.57 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 179.52 2kha n GLY 50 N -1.64 2.24 0.55 0.00 0.00 -1.26 -4.54 105.19 100.54 2kha n GLY 50 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 14.00 0.00 -1.58 1.61 -0.00 0.32 -4.82 115.22 124.74 2kha n HIS 51 Ca 0.00 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.03 2kha n HIS 51 Cb 0.00 0.01 -0.07 0.00 -0.12 0.00 0.00 29.99 29.82 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 -0.52 1.15 -0.65 1.57 0.51 0.35 -4.73 118.94 116.62 2kha s TRP 52 Ca 0.00 1.95 0.03 0.00 -2.12 0.00 0.00 56.10 55.96 2kha s TRP 52 Cb 0.00 -3.45 0.16 0.00 -0.81 0.00 0.00 33.47 29.37 2kha s TRP 52 CO 0.00 -1.61 0.43 0.00 -0.51 0.00 0.00 176.95 175.26 2kha s ALA 53 N 14.62 3.65 -0.07 0.98 0.00 -1.21 -1.71 121.76 138.01 2kha s ALA 53 Ca 0.92 -3.56 0.01 0.00 0.00 0.00 0.00 51.96 49.33 2kha s ALA 53 Cb -0.13 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2kha s ALA 53 CO 0.08 -2.08 -0.09 0.50 0.00 0.00 0.00 175.76 174.18 2kha s ARG 54 N -0.84 1.40 -0.41 0.00 6.06 -0.90 -4.98 118.95 119.28 2kha s ARG 54 Ca 0.21 -0.28 -0.19 0.00 -2.50 0.00 0.00 55.73 52.97 2kha s ARG 54 Cb -0.15 -1.27 0.02 0.00 0.06 0.00 0.00 34.95 33.60 2kha s ARG 54 CO -0.08 -0.07 0.52 0.16 -2.50 0.00 0.00 175.30 173.33 2kha s ASP 55 N 0.98 6.26 -0.07 -2.12 1.47 -1.26 -1.70 116.67 120.23 2kha s ASP 55 Ca -0.09 -0.44 -0.17 0.00 1.18 0.00 0.00 52.55 53.02 2kha s ASP 55 Cb -0.15 -2.27 -0.05 0.00 -0.34 0.00 0.00 42.92 40.12 2kha s ASP 55 CO 0.00 -0.64 0.46 -0.63 0.68 0.00 0.00 175.17 175.05 2kha s ILE 56 N 2.43 5.10 -0.22 2.11 -1.09 0.23 -4.92 121.20 124.84 2kha s ILE 56 Ca 0.17 0.94 0.16 0.00 -2.23 0.00 0.00 60.65 59.69 2kha s ILE 56 Cb -0.16 -3.79 0.46 0.00 -1.58 0.00 0.00 42.46 37.40 2kha s ILE 56 CO 0.16 0.42 1.17 1.07 -1.23 0.00 0.00 174.94 176.52 2kha n THR 57 N 2.96 1.65 -3.13 2.92 5.66 -1.26 -0.31 114.28 122.78 2kha n THR 57 Ca -0.09 -3.10 0.01 0.00 -3.05 0.00 0.00 64.05 57.82 2kha n THR 57 Cb 0.52 0.16 -0.01 0.00 -1.55 0.00 0.00 70.33 69.45 2kha n THR 57 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2kha s LYS 58 N -3.02 0.69 1.14 1.09 -2.85 -1.26 -5.03 119.74 110.51 2kha s LYS 58 Ca 0.38 -0.20 -0.18 0.00 -1.00 0.00 0.00 55.97 54.98 2kha s LYS 58 Cb 0.37 0.09 0.15 0.00 -2.06 0.00 0.00 37.83 36.38 2kha s LYS 58 CO -0.04 -1.00 0.19 -2.30 0.10 0.00 0.00 175.35 172.30 2kha n PRO 59 N 4.32 -1.90 -1.88 1.78 -0.02 -1.26 -4.70 135.00 131.34 2kha n PRO 59 Ca 0.10 -0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 60.76 2kha n PRO 59 Cb 0.58 -1.78 0.04 0.00 -0.02 0.00 0.00 33.50 32.32 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 -2.68 3.27 -1.95 -0.52 0.00 0.37 -4.88 118.16 111.78 2kha n LYS 60 Ca 0.01 -3.92 -0.00 0.00 0.00 0.00 0.00 58.31 54.39 2kha n LYS 60 Cb 0.61 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.36 2kha n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2kha n GLU 61 N -0.72 -1.22 -0.53 1.64 4.71 -1.26 -4.16 120.64 119.10 2kha n GLU 61 Ca 0.49 1.30 0.00 0.00 -0.01 0.00 0.00 57.16 58.95 2kha n GLU 61 Cb 0.79 -2.65 0.00 0.00 -1.01 0.00 0.00 31.44 28.56 2kha n GLU 61 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kha n GLY 62 N 0.16 1.04 3.55 0.62 0.00 -1.26 -4.91 105.19 104.38 2kha n GLY 62 Ca 0.01 0.00 -0.06 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 -0.25 0.58 0.57 1.61 3.52 -1.26 0.10 118.95 123.81 2kha s ARG 63 Ca 0.00 1.22 -0.16 0.00 -0.13 0.00 0.00 55.73 56.66 2kha s ARG 63 Cb 0.00 0.38 -0.05 0.00 -1.56 0.00 0.00 34.95 33.72 2kha s ARG 63 CO 0.00 -0.18 1.03 -1.58 -0.81 0.00 0.00 175.30 173.76 2kha s TRP 64 N 2.14 3.16 -0.08 5.12 0.52 -0.41 0.14 118.94 129.53 2kha s TRP 64 Ca -0.08 1.49 -0.01 0.00 0.02 0.00 0.00 56.10 57.53 2kha s TRP 64 Cb -0.09 -2.93 0.03 0.00 -1.15 0.00 0.00 33.47 29.33 2kha s TRP 64 CO -0.18 -0.85 -0.01 0.99 0.02 0.00 0.00 176.95 176.92 2kha s THR 65 N -2.52 0.47 -0.21 2.01 2.01 -1.26 -2.48 115.64 113.66 2kha s THR 65 Ca 0.62 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.69 2kha s THR 65 Cb -0.14 -0.60 0.04 0.00 0.01 0.00 0.00 72.50 71.80 2kha s THR 65 CO 0.35 0.27 -0.16 0.12 -0.69 0.00 0.00 174.62 174.52 2kha s PHE 66 N 1.87 2.92 0.02 4.92 5.36 0.58 -4.98 117.98 128.66 2kha s PHE 66 Ca 0.04 -1.89 0.04 0.00 -0.96 0.00 0.00 56.93 54.15 2kha s PHE 66 Cb -0.12 -1.89 -0.03 0.00 -0.34 0.00 0.00 43.02 40.63 2kha s PHE 66 CO -0.05 -0.83 -0.07 1.03 -1.46 0.00 0.00 175.22 173.84 2kha s ARG 67 N 1.23 2.50 -0.24 10.12 0.52 -1.26 0.50 118.95 132.31 2kha s ARG 67 Ca -0.01 -0.77 -0.04 0.00 -0.52 0.00 0.00 55.73 54.40 2kha s ARG 67 Cb -0.16 -2.48 0.08 0.00 0.52 0.00 0.00 34.95 32.92 2kha s ARG 67 CO -0.09 0.59 0.10 0.34 0.02 0.00 0.00 175.30 176.25 2kha s ASP 68 N -1.54 3.17 -0.14 0.23 2.15 0.25 -4.96 116.67 115.84 2kha s ASP 68 Ca 0.18 -1.08 0.05 0.00 0.43 0.00 0.00 52.55 52.14 2kha s ASP 68 Cb -0.11 -0.43 0.37 0.00 -0.30 0.00 0.00 42.92 42.45 2kha s ASP 68 CO 0.09 -0.39 1.17 0.54 -0.17 0.00 0.00 175.17 176.41 2kha n ARG 69 N 5.17 2.52 -2.67 4.34 3.00 -1.26 0.12 116.66 127.88 2kha n ARG 69 Ca -0.06 -1.46 -0.05 0.00 -0.01 0.00 0.00 57.85 56.27 2kha n ARG 69 Cb 0.45 -1.78 0.04 0.00 0.00 0.00 0.00 32.46 31.17 2kha n ARG 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2kha n ASN 70 N 0.15 2.23 -4.12 0.55 6.94 -1.26 -4.71 115.26 115.04 2kha n ASN 70 Ca 0.17 -2.40 -0.37 0.00 -0.02 0.00 0.00 54.58 51.95 2kha n ASN 70 Cb 0.78 -0.46 -0.09 0.00 -2.36 0.00 0.00 39.78 37.65 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kha s ALA 71 N -3.73 3.51 -1.15 -2.53 0.00 -1.26 -5.00 121.76 111.61 2kha s ALA 71 Ca 0.32 -3.06 -0.20 0.00 0.00 0.00 0.00 51.96 49.01 2kha s ALA 71 Cb 0.35 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 2kha s ALA 71 CO -0.02 -2.04 1.93 1.17 0.00 0.00 0.00 175.76 176.80 2kha n LYS 72 N 3.84 2.15 -3.05 0.00 4.81 -1.26 -3.65 118.16 120.99 2kha n LYS 72 Ca 0.05 -2.52 -0.19 0.00 -0.87 0.00 0.00 58.31 54.78 2kha n LYS 72 Cb 0.39 -3.40 0.01 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 5.49 3.66 -0.01 3.14 1.43 -1.26 -5.13 118.68 126.00 2kha s LEU 73 Ca 0.59 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 2kha s LEU 73 Cb 0.07 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.49 2kha s LEU 73 CO 0.08 -0.75 0.06 -0.75 0.23 0.00 0.00 176.35 175.23 2kha s LYS 74 N -4.42 0.20 0.19 1.70 2.36 -1.26 -5.01 119.74 113.50 2kha s LYS 74 Ca 0.52 -0.14 -0.33 0.00 -2.55 0.00 0.00 55.97 53.47 2kha s LYS 74 Cb -0.10 0.08 -0.14 0.00 -1.05 0.00 0.00 37.83 36.62 2kha s LYS 74 CO 0.34 -0.04 1.37 -0.11 1.55 0.00 0.00 175.35 178.47 2kha n LEU 75 N 2.46 2.55 0.00 5.43 0.00 -1.25 -1.93 117.00 124.26 2kha n LEU 75 Ca -0.17 1.13 0.00 0.00 0.00 0.00 0.00 56.01 56.97 2kha n LEU 75 Cb 0.58 -1.35 0.00 0.00 0.00 0.00 0.00 43.42 42.65 2kha n LEU 75 CO 0.22 -0.71 0.00 0.61 0.00 0.00 0.00 177.39 177.51 2kha n GLY 76 N 2.41 2.20 3.67 -3.96 0.00 -1.25 -4.84 105.19 103.42 2kha n GLY 76 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 0.12 3.02 0.24 1.61 -1.08 -0.81 -4.76 116.67 115.01 2kha s ASP 77 Ca 0.00 1.86 0.11 0.00 -0.52 0.00 0.00 52.55 54.00 2kha s ASP 77 Cb 0.00 -2.43 -0.05 0.00 -1.46 0.00 0.00 42.92 38.98 2kha s ASP 77 CO 0.00 -2.98 -0.20 -0.75 0.52 0.00 0.00 175.17 171.76 2kha s LYS 78 N -4.73 1.56 0.11 4.34 2.20 -1.26 -1.68 119.74 120.28 2kha s LYS 78 Ca 0.65 -1.66 0.08 0.00 -0.36 0.00 0.00 55.97 54.68 2kha s LYS 78 Cb -0.21 -1.64 -0.04 0.00 -1.51 0.00 0.00 37.83 34.43 2kha s LYS 78 CO 0.58 0.32 -0.12 0.42 -0.36 0.00 0.00 175.35 176.19 2kha s ILE 79 N -2.37 3.21 -0.08 5.43 1.09 0.32 -1.29 121.20 127.52 2kha s ILE 79 Ca 0.26 -1.34 -0.03 0.00 -1.10 0.00 0.00 60.65 58.44 2kha s ILE 79 Cb -0.05 -2.50 0.04 0.00 -1.06 0.00 0.00 42.46 38.90 2kha s ILE 79 CO 0.12 0.11 0.16 -0.31 -0.10 0.00 0.00 174.94 174.92 2kha s TYR 80 N -1.19 -0.20 0.21 3.97 2.02 -1.01 -2.28 117.35 118.87 2kha s TYR 80 Ca 0.20 0.59 -0.08 0.00 -0.37 0.00 0.00 57.07 57.41 2kha s TYR 80 Cb -0.11 -0.15 0.03 0.00 -0.40 0.00 0.00 41.96 41.33 2kha s TYR 80 CO 0.13 -0.23 0.42 1.97 -1.57 0.00 0.00 175.55 176.27 2kha n PHE 81 N 4.75 -1.70 -3.69 2.71 -1.74 -0.91 -0.62 117.46 116.26 2kha n PHE 81 Ca -0.16 -1.01 -0.11 0.00 -0.56 0.00 0.00 57.45 55.61 2kha n PHE 81 Cb 0.51 0.49 -0.10 0.00 1.52 0.00 0.00 39.48 41.90 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 -5.27 -0.64 0.16 2.97 1.48 0.63 -1.24 118.94 117.03 2kha s TRP 82 Ca 0.09 1.41 0.03 0.00 -1.06 0.00 0.00 56.10 56.57 2kha s TRP 82 Cb -0.03 0.28 -0.03 0.00 -1.16 0.00 0.00 33.47 32.53 2kha s TRP 82 CO 0.07 -0.33 0.29 0.95 -4.06 0.00 0.00 176.95 173.87 2kha s THR 83 N 0.98 5.32 -0.19 0.66 -4.23 -1.06 -1.71 115.64 115.41 2kha s THR 83 Ca -0.06 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 2kha s THR 83 Cb -0.06 -3.76 0.06 0.00 1.34 0.00 0.00 72.50 70.09 2kha s THR 83 CO -0.08 -0.12 0.05 -0.47 -0.54 0.00 0.00 174.62 173.45 2kha s TYR 84 N -1.77 0.88 0.40 3.99 5.04 0.32 -1.94 117.35 124.26 2kha s TYR 84 Ca 0.35 -0.77 0.08 0.00 -2.44 0.00 0.00 57.07 54.28 2kha s TYR 84 Cb -0.11 -0.98 -0.01 0.00 0.35 0.00 0.00 41.96 41.22 2kha s TYR 84 CO 0.29 -0.60 0.46 0.08 -1.34 0.00 0.00 175.55 174.44 2kha s VAL 85 N 1.91 3.10 -0.25 3.14 1.01 0.39 0.19 120.40 129.89 2kha s VAL 85 Ca -0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 2kha s VAL 85 Cb -0.17 -3.08 0.11 0.00 0.00 0.00 0.00 36.38 33.25 2kha s VAL 85 CO -0.09 -0.04 0.24 -0.63 0.00 0.00 0.00 175.10 174.58 2kha s ILE 86 N -2.36 -0.33 -1.12 2.22 -1.09 0.15 -1.85 121.20 116.82 2kha s ILE 86 Ca 0.50 -0.36 -0.08 0.00 -2.23 0.00 0.00 60.65 58.48 2kha s ILE 86 Cb -0.07 -0.85 0.28 0.00 -1.58 0.00 0.00 42.46 40.23 2kha s ILE 86 CO 0.30 -0.38 1.32 1.17 -1.23 0.00 0.00 174.94 176.12 2kha n LYS 87 N 5.31 3.88 -3.01 2.79 0.00 -0.93 0.26 118.16 126.46 2kha n LYS 87 Ca -0.04 -4.40 -0.13 0.00 0.00 0.00 0.00 58.31 53.74 2kha n LYS 87 Cb 0.47 -2.59 0.06 0.00 0.00 0.00 0.00 35.03 32.97 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 2.47 -5.08 -0.48 3.14 -0.08 -1.25 -2.77 116.55 112.49 2kha n ASP 88 Ca 0.27 -0.58 -0.06 0.00 -1.51 0.00 0.00 54.79 52.90 2kha n ASP 88 Cb 0.37 -4.44 -0.03 0.00 2.34 0.00 0.00 41.12 39.37 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 -1.24 0.85 2.30 0.27 0.00 -1.26 -4.93 105.19 101.18 2kha n GLY 89 Ca -0.10 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.72 -0.41 0.00 0.99 4.77 -1.12 -5.13 117.00 115.39 2kha n LEU 90 Ca -0.06 -4.43 -0.01 0.00 -0.03 0.00 0.00 56.01 51.47 2kha n LEU 90 Cb 0.25 0.68 0.01 0.00 -2.33 0.00 0.00 43.42 42.03 2kha n LEU 90 CO 0.10 2.06 0.03 0.61 -1.33 0.00 0.00 177.39 178.86 2kha n GLY 91 N 1.41 -0.60 3.60 -0.72 0.00 -1.24 -2.19 105.19 105.45 2kha n GLY 91 Ca 0.19 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 2kha n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kha s TYR 92 N -0.77 0.40 -0.03 1.61 1.51 -0.77 -4.81 117.35 114.49 2kha s TYR 92 Ca 0.03 -0.77 -0.06 0.00 -1.01 0.00 0.00 57.07 55.27 2kha s TYR 92 Cb -0.00 0.20 0.01 0.00 -0.11 0.00 0.00 41.96 42.06 2kha s TYR 92 CO 0.02 -1.03 0.14 -0.98 -1.11 0.00 0.00 175.55 172.59 2kha s ARG 93 N -3.87 0.28 -0.94 -0.62 1.70 -1.25 0.15 118.95 114.40 2kha s ARG 93 Ca 0.23 -0.03 -0.02 0.00 -0.47 0.00 0.00 55.73 55.44 2kha s ARG 93 Cb -0.01 0.12 0.27 0.00 -0.57 0.00 0.00 34.95 34.76 2kha s ARG 93 CO 0.10 -0.05 1.09 0.94 -1.08 0.00 0.00 175.30 176.29 2kha n GLN 94 N 2.43 3.43 -1.75 3.89 7.27 -0.82 -4.75 117.38 127.08 2kha n GLN 94 Ca -0.16 -4.55 -0.29 0.00 0.07 0.00 0.00 57.00 52.07 2kha n GLN 94 Cb 0.58 -2.44 0.16 0.00 2.41 0.00 0.00 30.24 30.95 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 -1.05 3.33 -2.05 1.69 1.47 -1.26 -2.56 116.67 116.24 2kha s ASP 95 Ca 0.32 0.58 0.00 0.00 1.18 0.00 0.00 52.55 54.63 2kha s ASP 95 Cb 0.02 -0.88 0.00 0.00 -0.34 0.00 0.00 42.92 41.72 2kha s ASP 95 CO -0.01 -2.62 0.00 -3.20 0.68 0.00 0.00 175.17 170.02 2kha n ASN 96 N -3.75 -5.43 -4.82 2.11 2.85 -1.16 -4.91 115.26 100.14 2kha n ASN 96 Ca 0.11 0.48 -0.30 0.00 -0.11 0.00 0.00 54.58 54.76 2kha n ASN 96 Cb 0.60 -4.71 0.07 0.00 1.24 0.00 0.00 39.78 36.98 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 -2.70 1.64 -0.07 8.20 0.00 -0.37 -4.91 107.32 109.12 2kha s GLY 97 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 44.72 44.41 2kha s GLY 97 CO 0.00 0.28 0.49 1.85 0.00 0.00 0.00 173.10 175.72 2kha s GLU 98 N -5.12 0.79 0.14 2.90 2.12 -1.26 -2.13 118.70 116.13 2kha s GLU 98 Ca 0.59 0.19 -0.03 0.00 0.36 0.00 0.00 54.97 56.09 2kha s GLU 98 Cb -0.14 0.37 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 2kha s GLU 98 CO 0.54 -0.21 0.10 -0.46 -0.54 0.00 0.00 175.26 174.70 2kha s TRP 99 N -0.88 0.76 0.20 5.30 -0.00 -0.97 -4.93 118.94 118.43 2kha s TRP 99 Ca -0.09 -1.14 0.06 0.00 -0.00 0.00 0.00 56.10 54.93 2kha s TRP 99 Cb -0.03 -0.40 -0.04 0.00 -0.00 0.00 0.00 33.47 33.01 2kha s TRP 99 CO 0.05 -0.56 0.15 -0.08 -0.00 0.00 0.00 176.95 176.52 2kha s THR 100 N -4.03 4.43 -0.02 5.86 -1.32 -1.26 0.12 115.64 119.42 2kha s THR 100 Ca 0.22 -1.22 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 2kha s THR 100 Cb 0.07 -3.30 0.00 0.00 -1.51 0.00 0.00 72.50 67.75 2kha s THR 100 CO 0.01 -0.19 0.33 0.52 -2.21 0.00 0.00 174.62 173.07 2kha n VAL 101 N -0.63 0.00 0.24 5.08 0.31 -0.67 -4.66 118.33 118.00 2kha n VAL 101 Ca -0.08 -0.50 0.14 0.00 -0.01 0.00 0.00 64.34 63.89 2kha n VAL 101 Cb 0.56 1.00 0.71 0.00 -0.91 0.00 0.00 33.84 35.20 2kha n VAL 101 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2kha h THR 102 N 0.02 0.00 -3.84 2.52 2.02 -1.84 -3.33 112.91 108.46 2kha h THR 102 Ca 0.00 -0.06 -0.55 0.00 0.77 0.00 0.00 66.41 66.56 2kha h THR 102 Cb 0.01 0.71 -0.21 0.00 -1.74 0.00 0.00 68.15 66.92 2kha h THR 102 CO 0.00 0.00 -0.82 -1.61 0.37 0.00 0.00 175.52 173.46 2kha s GLU 103 N -3.64 1.14 0.03 6.66 2.02 -1.26 -4.70 118.70 118.95 2kha s GLU 103 Ca -0.02 -1.20 0.04 0.00 0.02 0.00 0.00 54.97 53.81 2kha s GLU 103 Cb 0.08 -1.38 -0.02 0.00 0.10 0.00 0.00 34.13 32.91 2kha s GLU 103 CO 0.29 0.31 -0.11 -0.06 0.02 0.00 0.00 175.26 175.71 2kha s PHE 104 N -1.29 0.95 0.35 1.61 0.40 -1.26 -3.90 117.98 114.85 2kha s PHE 104 Ca 0.08 -0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.12 2kha s PHE 104 Cb -0.09 -0.57 -0.01 0.00 0.51 0.00 0.00 43.02 42.86 2kha s PHE 104 CO 0.05 -0.00 0.51 0.14 0.70 0.00 0.00 175.22 176.61 2kha s VAL 105 N -0.83 4.11 0.28 -0.44 -7.23 0.34 0.16 120.40 116.79 2kha s VAL 105 Ca -0.01 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.17 2kha s VAL 105 Cb -0.07 -3.44 -0.07 0.00 0.56 0.00 0.00 36.38 33.35 2kha s VAL 105 CO 0.01 -0.20 0.62 0.21 -0.31 0.00 0.00 175.10 175.42 2kha s ASN 106 N -4.18 6.62 0.53 4.85 2.47 1.04 -3.84 114.94 122.43 2kha s ASN 106 Ca 0.45 0.99 0.28 0.00 0.42 0.00 0.00 52.86 55.00 2kha s ASN 106 Cb -0.10 -2.26 1.50 0.00 -1.45 0.00 0.00 41.25 38.95 2kha s ASN 106 CO 0.32 -0.16 1.82 -0.33 -3.72 0.00 0.00 177.10 175.04 2kha h GLU 107 N 2.19 0.00 -0.03 0.43 5.08 -1.88 0.85 114.58 121.22 2kha h GLU 107 Ca -0.47 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.77 2kha h GLU 107 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kha h GLU 107 CO 0.67 0.00 -0.51 0.22 -1.00 0.00 0.00 179.01 178.39 2kha h ASP 108 N 0.00 0.09 0.00 1.42 3.58 -2.01 -3.47 116.42 116.03 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 0.41 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2kha h ASP 108 CO 0.00 0.59 0.00 0.61 -2.88 0.00 0.00 179.24 177.56 2kha n GLY 109 N -0.01 1.88 3.13 -0.78 0.00 0.30 -5.14 105.19 104.57 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 0.18 -0.02 2.61 -4.23 -1.22 -4.88 115.64 106.09 2kha s THR 110 Ca 0.00 -1.46 -0.37 0.00 -1.18 0.00 0.00 61.69 58.68 2kha s THR 110 Cb 0.00 -1.34 -0.16 0.00 1.34 0.00 0.00 72.50 72.34 2kha s THR 110 CO 0.00 -0.81 1.51 -2.65 -0.54 0.00 0.00 174.62 172.13 2kha n PRO 111 N 0.17 1.32 -2.28 3.99 -0.02 -1.26 0.34 135.00 137.27 2kha n PRO 111 Ca -0.15 0.48 -0.38 0.00 -2.02 0.00 0.00 63.50 61.43 2kha n PRO 111 Cb 0.61 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.58 2.34 0.22 3.55 0.00 0.43 -4.60 121.76 125.28 2kha s ALA 112 Ca 0.88 -1.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 2kha s ALA 112 Cb -0.94 -4.37 -0.04 0.00 0.00 0.00 0.00 23.12 17.77 2kha s ALA 112 CO 0.51 -3.83 0.12 0.34 0.00 0.00 0.00 175.76 172.91 2kha s ASP 113 N 6.27 0.43 -0.66 0.00 -1.08 -1.26 -4.72 116.67 115.65 2kha s ASP 113 Ca 0.55 -1.39 -0.05 0.00 -0.52 0.00 0.00 52.55 51.14 2kha s ASP 113 Cb -0.08 0.32 0.17 0.00 -1.46 0.00 0.00 42.92 41.87 2kha s ASP 113 CO 0.11 -0.81 0.49 0.42 0.52 0.00 0.00 175.17 175.90 2kha s THR 114 N -4.05 4.05 -0.30 1.71 -4.23 -1.26 -5.00 115.64 106.56 2kha s THR 114 Ca 0.39 -2.84 -0.13 0.00 -1.18 0.00 0.00 61.69 57.92 2kha s THR 114 Cb 0.07 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 70.44 2kha s THR 114 CO 0.12 -0.90 0.82 -0.44 -0.54 0.00 0.00 174.62 173.69 2kha s SER 115 N 1.00 -0.84 -0.40 3.99 0.01 -1.26 -5.11 113.70 111.09 2kha s SER 115 Ca 0.17 1.18 0.03 0.00 1.31 0.00 0.00 55.95 58.64 2kha s SER 115 Cb -0.19 1.86 0.16 0.00 0.21 0.00 0.00 66.02 68.07 2kha s SER 115 CO -0.04 -0.17 0.35 -0.76 0.41 0.00 0.00 173.24 173.03 2kha s LEU 116 N 2.47 0.79 0.13 2.44 1.43 -1.26 -5.06 118.68 119.62 2kha s LEU 116 Ca -0.05 -2.49 0.00 0.00 -1.03 0.00 0.00 54.13 50.55 2kha s LEU 116 Cb -0.08 -0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.09 2kha s LEU 116 CO -0.18 -0.21 0.00 1.21 0.23 0.00 0.00 176.35 177.40 2kha n GLU 117 N 3.37 -5.07 0.00 1.70 0.00 -1.26 -5.35 120.64 114.02 2kha n GLU 117 Ca 0.21 3.66 0.07 0.00 0.00 0.00 0.00 57.16 61.11 2kha n GLU 117 Cb 0.46 -4.15 0.44 0.00 0.00 0.00 0.00 31.44 28.18 2kha n GLU 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78