#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kha n TYR 7 N 0.00 -1.16 -4.40 2.61 9.36 -1.26 -5.05 117.16 117.26 2kha n TYR 7 Ca 0.00 -0.11 -0.21 0.00 3.32 0.00 0.00 57.90 60.90 2kha n TYR 7 Cb 0.00 -1.71 -0.10 0.00 -0.63 0.00 0.00 39.34 36.90 2kha n TYR 7 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2kha s VAL 8 N -2.41 2.08 0.47 2.97 1.01 -1.26 -4.96 120.40 118.31 2kha s VAL 8 Ca 0.68 -2.25 -0.23 0.00 0.00 0.00 0.00 61.98 60.17 2kha s VAL 8 Cb -0.25 -2.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 2kha s VAL 8 CO 0.65 -0.46 1.23 0.54 0.00 0.00 0.00 175.10 177.06 2kha s VAL 9 N -2.63 2.78 0.00 2.92 0.11 -1.26 -5.03 120.40 117.29 2kha s VAL 9 Ca 0.25 0.61 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 2kha s VAL 9 Cb -0.03 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 2kha s VAL 9 CO 0.10 0.01 0.00 -2.65 -3.33 0.00 0.00 175.10 169.23 2kha n PRO 10 N -0.52 -0.71 -3.88 1.54 -0.02 -1.26 -4.85 135.00 125.28 2kha n PRO 10 Ca 0.07 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 2kha n PRO 10 Cb 0.47 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.83 2kha n PRO 10 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kha s SER 11 N -1.74 5.27 -0.42 2.55 0.15 -1.26 -4.84 113.70 113.41 2kha s SER 11 Ca 0.00 -0.11 -0.23 0.00 0.70 0.00 0.00 55.95 56.30 2kha s SER 11 Cb 0.00 -1.93 0.02 0.00 -1.71 0.00 0.00 66.02 62.40 2kha s SER 11 CO 0.00 0.04 0.79 0.00 1.20 0.00 0.00 173.24 175.27 2kha s ALA 12 N 1.16 3.34 0.52 5.45 0.00 -1.25 -4.00 121.76 126.98 2kha s ALA 12 Ca 0.04 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 2kha s ALA 12 Cb -0.14 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 2kha s ALA 12 CO 0.03 -1.76 0.94 0.21 0.00 0.00 0.00 175.76 175.18 2kha s LYS 13 N 3.23 3.76 -0.06 0.00 2.47 0.19 -4.84 119.74 124.49 2kha s LYS 13 Ca 0.31 0.71 -0.10 0.00 -1.56 0.00 0.00 55.97 55.33 2kha s LYS 13 Cb -0.12 -2.19 0.02 0.00 -1.46 0.00 0.00 37.83 34.07 2kha s LYS 13 CO 0.21 -0.31 0.25 -0.51 0.16 0.00 0.00 175.35 175.15 2kha s LEU 14 N -4.45 1.05 -0.01 5.43 1.02 -1.26 -2.28 118.68 118.19 2kha s LEU 14 Ca 0.55 0.31 -0.03 0.00 0.02 0.00 0.00 54.13 54.98 2kha s LEU 14 Cb -0.10 0.95 -0.00 0.00 0.02 0.00 0.00 46.19 47.05 2kha s LEU 14 CO 0.40 -0.22 0.06 -1.61 0.02 0.00 0.00 176.35 175.00 2kha s GLU 15 N -0.45 0.23 -0.45 1.70 2.02 -0.77 -4.96 118.70 116.01 2kha s GLU 15 Ca -0.06 -0.19 -0.24 0.00 0.02 0.00 0.00 54.97 54.51 2kha s GLU 15 Cb -0.04 0.09 0.03 0.00 0.10 0.00 0.00 34.13 34.31 2kha s GLU 15 CO 0.01 -0.04 0.84 0.00 0.02 0.00 0.00 175.26 176.09 2kha s ALA 16 N -0.65 3.27 -0.06 5.21 0.00 -1.25 -2.43 121.76 125.84 2kha s ALA 16 Ca -0.07 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 2kha s ALA 16 Cb -0.04 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 2kha s ALA 16 CO 0.00 -1.98 0.97 0.42 0.00 0.00 0.00 175.76 175.17 2kha s ILE 17 N 3.47 4.84 0.12 0.00 -1.09 -0.93 0.13 121.20 127.74 2kha s ILE 17 Ca 0.33 2.00 -0.16 0.00 -2.23 0.00 0.00 60.65 60.58 2kha s ILE 17 Cb -0.11 -4.29 -0.07 0.00 -1.58 0.00 0.00 42.46 36.41 2kha s ILE 17 CO 0.24 0.09 0.56 -0.47 -1.23 0.00 0.00 174.94 174.13 2kha s TYR 18 N 1.51 3.68 -2.49 3.97 5.04 -0.83 -0.85 117.35 127.39 2kha s TYR 18 Ca 0.49 1.15 0.24 0.00 -2.44 0.00 0.00 57.07 56.51 2kha s TYR 18 Cb -0.19 -2.43 0.68 0.00 0.35 0.00 0.00 41.96 40.37 2kha s TYR 18 CO 0.22 0.49 1.53 -0.35 -1.34 0.00 0.00 175.55 176.09 2kha n PRO 19 N 1.15 1.95 -3.10 4.97 -0.04 -1.26 -4.52 135.00 134.16 2kha n PRO 19 Ca -0.07 -1.42 0.04 0.00 -0.04 0.00 0.00 63.50 62.01 2kha n PRO 19 Cb 0.51 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2kha n PRO 19 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2kha s ARG 20 N -1.82 0.40 0.01 0.54 3.52 -0.81 -4.94 118.95 115.85 2kha s ARG 20 Ca 0.34 0.17 -0.23 0.00 -0.13 0.00 0.00 55.73 55.89 2kha s ARG 20 Cb 0.20 0.12 0.07 0.00 -1.56 0.00 0.00 34.95 33.79 2kha s ARG 20 CO 0.30 -0.68 1.03 0.41 -0.81 0.00 0.00 175.30 175.54 2kha n GLY 21 N 4.86 0.36 3.48 8.12 0.00 -0.03 -4.21 105.19 117.77 2kha n GLY 21 Ca 0.08 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.27 -0.14 0.99 2.96 0.15 -2.19 118.68 120.18 2kha s LEU 22 Ca 0.24 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.33 2kha s LEU 22 Cb -0.01 1.97 0.02 0.00 0.50 0.00 0.00 46.19 48.68 2kha s LEU 22 CO 0.00 -0.20 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.10 2kha s ARG 23 N 0.50 2.16 0.12 1.98 3.52 -1.02 -0.54 118.95 125.67 2kha s ARG 23 Ca -0.02 -0.51 0.09 0.00 -0.13 0.00 0.00 55.73 55.17 2kha s ARG 23 Cb -0.04 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.31 2kha s ARG 23 CO -0.02 -0.22 -0.22 0.08 -0.81 0.00 0.00 175.30 174.10 2kha s VAL 24 N 1.47 1.88 -0.11 7.11 1.01 0.28 -1.86 120.40 130.19 2kha s VAL 24 Ca 0.04 -1.64 -0.18 0.00 0.00 0.00 0.00 61.98 60.20 2kha s VAL 24 Cb -0.13 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2kha s VAL 24 CO -0.09 -0.04 0.46 -0.44 0.00 0.00 0.00 175.10 174.99 2kha s SER 25 N -2.02 -0.43 -0.04 3.32 0.01 -0.97 -0.63 113.70 112.95 2kha s SER 25 Ca 0.09 0.66 -0.00 0.00 1.31 0.00 0.00 55.95 58.01 2kha s SER 25 Cb -0.10 0.71 0.03 0.00 0.21 0.00 0.00 66.02 66.87 2kha s SER 25 CO 0.05 -0.32 0.01 0.27 0.41 0.00 0.00 173.24 173.66 2kha s ILE 26 N -0.44 0.18 -0.85 1.44 -4.36 -1.03 0.52 121.20 116.66 2kha s ILE 26 Ca -0.06 0.15 -0.25 0.00 -0.26 0.00 0.00 60.65 60.23 2kha s ILE 26 Cb -0.03 -0.32 -0.10 0.00 1.25 0.00 0.00 42.46 43.26 2kha s ILE 26 CO 0.03 0.18 2.19 -2.16 0.24 0.00 0.00 174.94 175.43 2kha s PRO 27 N 1.43 2.01 0.97 0.37 0.04 -1.26 -2.27 135.00 136.30 2kha s PRO 27 Ca -0.04 0.10 -0.14 0.00 0.04 0.00 0.00 61.00 60.96 2kha s PRO 27 Cb -0.13 -4.92 0.02 0.00 0.04 0.00 0.00 34.50 29.51 2kha s PRO 27 CO -0.03 -4.02 0.22 -3.47 0.04 0.00 0.00 177.00 169.75 2kha n ASP 28 N 16.63 -2.57 -2.81 6.66 2.03 0.73 -4.55 116.55 132.67 2kha n ASP 28 Ca 0.44 0.28 -0.01 0.00 0.52 0.00 0.00 54.79 56.01 2kha n ASP 28 Cb 0.45 -1.13 0.05 0.00 -0.72 0.00 0.00 41.12 39.76 2kha n ASP 28 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kha n ASP 29 N -0.76 1.54 -1.35 1.67 -0.08 -1.26 -4.77 116.55 111.54 2kha n ASP 29 Ca 0.05 -2.12 -0.03 0.00 -1.51 0.00 0.00 54.79 51.18 2kha n ASP 29 Cb 0.55 -0.48 0.01 0.00 2.34 0.00 0.00 41.12 43.54 2kha n ASP 29 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kha n GLY 30 N -0.52 0.34 1.44 0.27 0.00 -1.26 -5.08 105.19 100.38 2kha n GLY 30 Ca 0.07 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.55 -3.09 0.00 1.61 3.72 -1.26 -4.75 117.46 112.14 2kha n PHE 31 Ca -0.04 -0.68 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 2kha n PHE 31 Cb 0.53 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 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 -2.91 3.09 -3.87 4.37 7.64 1.11 -4.89 113.62 118.15 2kha n SER 32 Ca 0.06 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.82 2kha n SER 32 Cb 0.22 0.31 -0.13 0.00 -1.01 0.00 0.00 64.21 63.60 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 -2.85 1.85 -0.29 -3.43 2.96 -1.01 -4.65 118.68 111.26 2kha s LEU 33 Ca 0.00 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2kha s LEU 33 Cb 0.00 0.19 0.09 0.00 0.50 0.00 0.00 46.19 46.96 2kha s LEU 33 CO 0.00 -0.07 0.05 0.12 -1.32 0.00 0.00 176.35 175.13 2kha s PHE 34 N -0.23 2.25 -0.26 5.38 5.36 -0.71 0.91 117.98 130.69 2kha s PHE 34 Ca -0.03 -1.93 -0.14 0.00 -0.96 0.00 0.00 56.93 53.87 2kha s PHE 34 Cb -0.02 -1.88 -0.04 0.00 -0.34 0.00 0.00 43.02 40.74 2kha s PHE 34 CO 0.00 -0.84 0.31 0.00 -1.46 0.00 0.00 175.22 173.23 2kha s ALA 35 N 1.43 3.56 -0.19 11.12 0.00 0.54 -1.34 121.76 136.88 2kha s ALA 35 Ca 0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 2kha s ALA 35 Cb -0.18 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 2kha s ALA 35 CO -0.15 -0.51 -0.06 0.12 0.00 0.00 0.00 175.76 175.15 2kha s PHE 36 N 1.74 2.93 -0.14 0.00 5.36 -0.90 0.18 117.98 127.16 2kha s PHE 36 Ca 0.13 -0.82 0.01 0.00 -0.96 0.00 0.00 56.93 55.29 2kha s PHE 36 Cb -0.15 -2.04 0.02 0.00 -0.34 0.00 0.00 43.02 40.51 2kha s PHE 36 CO 0.09 -0.43 -0.16 -1.01 -1.46 0.00 0.00 175.22 172.25 2kha s HIS 37 N 1.13 2.23 -0.17 10.12 3.76 -0.91 -2.18 115.29 129.27 2kha s HIS 37 Ca 0.01 -1.17 -0.13 0.00 -0.15 0.00 0.00 55.06 53.62 2kha s HIS 37 Cb -0.15 -1.60 0.05 0.00 1.11 0.00 0.00 32.58 32.00 2kha s HIS 37 CO -0.01 -0.61 0.44 0.20 -0.85 0.00 0.00 174.74 173.91 2kha s GLY 38 N 1.19 -0.34 -0.10 -2.22 0.00 -0.70 -0.63 107.32 104.53 2kha s GLY 38 Ca -0.01 1.37 0.02 0.00 0.00 0.00 0.00 44.72 46.10 2kha s GLY 38 CO -0.06 1.31 -0.16 1.25 0.00 0.00 0.00 173.10 175.44 2kha s LYS 39 N 0.65 2.19 0.07 2.90 2.36 0.16 0.17 119.74 128.24 2kha s LYS 39 Ca -0.03 -0.56 -0.18 0.00 -2.55 0.00 0.00 55.97 52.64 2kha s LYS 39 Cb -0.05 -1.82 -0.07 0.00 -1.05 0.00 0.00 37.83 34.85 2kha s LYS 39 CO -0.04 -0.01 0.54 -0.48 1.55 0.00 0.00 175.35 176.91 2kha s LEU 40 N 0.83 4.49 -1.10 5.43 2.34 -1.26 -1.59 118.68 127.82 2kha s LEU 40 Ca -0.10 1.19 -0.06 0.00 0.06 0.00 0.00 54.13 55.23 2kha s LEU 40 Cb -0.16 -2.91 0.01 0.00 -0.56 0.00 0.00 46.19 42.57 2kha s LEU 40 CO 0.01 0.26 0.95 -3.20 -1.06 0.00 0.00 176.35 173.31 2kha n ASN 41 N 1.59 -4.74 -3.15 1.48 5.15 0.17 -4.94 115.26 110.82 2kha n ASN 41 Ca -0.10 -0.47 0.06 0.00 -0.60 0.00 0.00 54.58 53.47 2kha n ASN 41 Cb 0.51 -4.30 -0.02 0.00 -0.53 0.00 0.00 39.78 35.44 2kha n ASN 41 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2kha s GLU 42 N -5.85 0.00 0.00 1.20 2.12 -1.26 -5.05 118.70 109.87 2kha s GLU 42 Ca 0.37 0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.70 2kha s GLU 42 Cb -0.16 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.23 2kha s GLU 42 CO 0.61 -0.00 0.00 0.39 -0.54 0.00 0.00 175.26 175.72 2kha n GLU 43 N 5.45 -1.55 -3.62 4.30 1.02 -1.26 -4.62 120.64 120.37 2kha n GLU 43 Ca -0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.97 2kha n GLU 43 Cb 0.55 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.91 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 -2.55 0.46 -0.34 3.49 0.23 -1.26 -4.98 119.30 114.34 2kha s MET 44 Ca 0.00 0.35 0.14 0.00 -1.03 0.00 0.00 55.69 55.14 2kha s MET 44 Cb 0.00 0.22 0.46 0.00 -1.53 0.00 0.00 34.83 33.98 2kha s MET 44 CO 0.00 -0.10 1.05 -3.47 -2.03 0.00 0.00 175.02 170.47 2kha n ASP 45 N 1.52 2.82 0.00 -1.18 -0.08 -1.26 -4.76 116.55 113.62 2kha n ASP 45 Ca -0.11 -3.02 0.00 0.00 -1.51 0.00 0.00 54.79 50.15 2kha n ASP 45 Cb 0.57 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 43.55 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 -0.34 -0.50 2.52 0.27 0.00 -1.26 -5.03 105.19 100.86 2kha n GLY 46 Ca 0.21 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 3.29 -4.78 0.99 4.77 -1.26 -4.98 117.00 115.03 2kha n LEU 47 Ca 0.00 -5.39 -0.37 0.00 -0.03 0.00 0.00 56.01 50.22 2kha n LEU 47 Cb 0.00 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2kha n LEU 47 CO 0.00 2.17 0.66 -1.61 -1.33 0.00 0.00 177.39 177.27 2kha s GLU 48 N -2.60 4.57 0.60 3.23 8.01 -1.26 -4.92 118.70 126.32 2kha s GLU 48 Ca 0.42 1.35 0.29 0.00 0.01 0.00 0.00 54.97 57.03 2kha s GLU 48 Cb 0.21 -2.80 1.51 0.00 -4.31 0.00 0.00 34.13 28.74 2kha s GLU 48 CO -0.07 0.26 1.91 0.00 0.01 0.00 0.00 175.26 177.38 2kha h ALA 49 N 3.16 2.00 -0.33 5.21 0.00 -2.00 -3.46 119.26 123.85 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 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kha h ALA 49 CO 0.65 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2kha n GLY 50 N -1.45 2.82 0.36 0.00 0.00 -1.26 -4.63 105.19 101.03 2kha n GLY 50 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2kha n GLY 50 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kha n HIS 51 N 14.00 0.00 -1.70 1.61 8.25 0.46 -4.79 115.22 133.05 2kha n HIS 51 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2kha n HIS 51 Cb 0.00 0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.26 1.28 -0.59 4.41 0.51 0.78 -4.74 118.94 120.34 2kha s TRP 52 Ca 0.00 1.51 0.03 0.00 -2.12 0.00 0.00 56.10 55.52 2kha s TRP 52 Cb 0.00 -3.65 0.15 0.00 -0.81 0.00 0.00 33.47 29.15 2kha s TRP 52 CO 0.00 -1.97 0.35 0.00 -0.51 0.00 0.00 176.95 174.82 2kha s ALA 53 N 12.62 3.48 -0.04 0.98 0.00 -1.22 -1.72 121.76 135.87 2kha s ALA 53 Ca 0.87 -3.41 0.00 0.00 0.00 0.00 0.00 51.96 49.43 2kha s ALA 53 Cb -0.13 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 20.75 2kha s ALA 53 CO 0.13 -2.05 -0.01 0.50 0.00 0.00 0.00 175.76 174.33 2kha s ARG 54 N -0.52 0.44 -0.45 0.00 6.06 -0.93 -4.99 118.95 118.57 2kha s ARG 54 Ca 0.19 0.06 -0.15 0.00 -2.50 0.00 0.00 55.73 53.32 2kha s ARG 54 Cb -0.20 -0.64 0.05 0.00 0.06 0.00 0.00 34.95 34.22 2kha s ARG 54 CO -0.04 -0.16 0.37 0.16 -2.50 0.00 0.00 175.30 173.13 2kha s ASP 55 N 1.21 6.14 0.11 -2.12 1.47 -1.26 -2.12 116.67 120.09 2kha s ASP 55 Ca -0.07 -1.16 -0.18 0.00 1.18 0.00 0.00 52.55 52.32 2kha s ASP 55 Cb -0.13 -2.18 -0.07 0.00 -0.34 0.00 0.00 42.92 40.20 2kha s ASP 55 CO -0.02 -0.58 0.58 -0.63 0.68 0.00 0.00 175.17 175.21 2kha s ILE 56 N 1.68 4.74 -0.10 2.11 1.09 -0.45 -4.92 121.20 125.35 2kha s ILE 56 Ca 0.05 1.14 0.17 0.00 -1.10 0.00 0.00 60.65 60.91 2kha s ILE 56 Cb -0.22 -3.86 0.38 0.00 -1.06 0.00 0.00 42.46 37.69 2kha s ILE 56 CO 0.08 0.45 1.18 1.07 -0.10 0.00 0.00 174.94 177.61 2kha n THR 57 N 1.40 1.12 -3.28 2.92 5.66 -1.26 -1.74 114.28 119.10 2kha n THR 57 Ca -0.08 -2.00 -0.14 0.00 -3.05 0.00 0.00 64.05 58.78 2kha n THR 57 Cb 0.51 0.31 -0.06 0.00 -1.55 0.00 0.00 70.33 69.54 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 -1.66 0.74 1.16 1.09 2.20 -1.26 -5.01 119.74 117.01 2kha s LYS 58 Ca 0.33 -0.93 -0.17 0.00 -0.36 0.00 0.00 55.97 54.84 2kha s LYS 58 Cb 0.34 -0.60 0.19 0.00 -1.51 0.00 0.00 37.83 36.24 2kha s LYS 58 CO -0.09 -1.23 0.38 -2.30 -0.36 0.00 0.00 175.35 171.74 2kha n PRO 59 N 3.98 -2.12 -1.05 4.03 -0.02 -1.26 -4.77 135.00 133.79 2kha n PRO 59 Ca 0.14 -0.60 -0.14 0.00 -2.02 0.00 0.00 63.50 60.88 2kha n PRO 59 Cb 0.48 -1.85 0.17 0.00 -0.02 0.00 0.00 33.50 32.28 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 -3.22 2.12 -1.39 -0.52 3.00 0.53 -4.90 118.16 113.78 2kha n LYS 60 Ca 0.01 -3.21 0.00 0.00 -0.00 0.00 0.00 58.31 55.12 2kha n LYS 60 Cb 0.59 -1.99 0.00 0.00 0.00 0.00 0.00 35.03 33.63 2kha n LYS 60 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2kha n GLU 61 N -1.10 0.00 -0.25 1.64 0.28 -1.26 -4.41 120.64 115.54 2kha n GLU 61 Ca 0.44 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.91 2kha n GLU 61 Cb 1.20 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 33.14 2kha n GLU 61 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kha n GLY 62 N 0.02 1.33 3.53 -1.84 0.00 -1.26 -4.90 105.19 102.08 2kha n GLY 62 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2kha n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kha s ARG 63 N -0.14 0.68 0.42 1.61 1.70 -1.26 -0.19 118.95 121.76 2kha s ARG 63 Ca 0.00 0.99 -0.11 0.00 -0.47 0.00 0.00 55.73 56.14 2kha s ARG 63 Cb 0.00 0.22 -0.07 0.00 -0.57 0.00 0.00 34.95 34.54 2kha s ARG 63 CO 0.00 -0.12 0.80 -1.58 -1.08 0.00 0.00 175.30 173.32 2kha s TRP 64 N 0.96 3.47 -0.30 5.89 0.52 -0.96 0.20 118.94 128.71 2kha s TRP 64 Ca -0.05 1.11 -0.02 0.00 0.02 0.00 0.00 56.10 57.16 2kha s TRP 64 Cb -0.05 -2.50 0.10 0.00 -1.15 0.00 0.00 33.47 29.87 2kha s TRP 64 CO -0.09 -0.15 0.11 0.99 0.02 0.00 0.00 176.95 177.83 2kha s THR 65 N -2.41 0.56 0.01 2.01 2.01 -1.26 -2.46 115.64 114.10 2kha s THR 65 Ca 0.52 -1.19 -0.09 0.00 0.31 0.00 0.00 61.69 61.24 2kha s THR 65 Cb -0.10 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 2kha s THR 65 CO 0.31 -0.69 0.32 0.12 -0.69 0.00 0.00 174.62 173.99 2kha s PHE 66 N 1.78 3.62 -0.03 4.92 5.36 0.20 -4.93 117.98 128.89 2kha s PHE 66 Ca 0.09 0.73 -0.07 0.00 -0.96 0.00 0.00 56.93 56.72 2kha s PHE 66 Cb -0.17 -2.10 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 2kha s PHE 66 CO -0.29 0.61 0.16 1.03 -1.46 0.00 0.00 175.22 175.27 2kha s ARG 67 N -1.56 0.35 -0.29 10.12 0.52 -1.26 0.99 118.95 127.82 2kha s ARG 67 Ca 0.27 -0.08 -0.03 0.00 -0.52 0.00 0.00 55.73 55.37 2kha s ARG 67 Cb -0.14 0.15 0.10 0.00 0.52 0.00 0.00 34.95 35.58 2kha s ARG 67 CO 0.15 -0.07 0.12 0.34 0.02 0.00 0.00 175.30 175.85 2kha s ASP 68 N -0.65 3.64 -0.13 0.23 -1.08 0.30 -4.95 116.67 114.02 2kha s ASP 68 Ca -0.07 -1.36 0.05 0.00 -0.52 0.00 0.00 52.55 50.65 2kha s ASP 68 Cb -0.04 -0.47 0.36 0.00 -1.46 0.00 0.00 42.92 41.30 2kha s ASP 68 CO 0.01 -0.43 1.16 0.54 0.52 0.00 0.00 175.17 176.97 2kha n ARG 69 N 5.15 2.51 -1.78 4.34 1.74 -1.26 0.31 116.66 127.67 2kha n ARG 69 Ca -0.05 -1.44 0.03 0.00 -0.77 0.00 0.00 57.85 55.62 2kha n ARG 69 Cb 0.42 -1.78 0.04 0.00 -1.02 0.00 0.00 32.46 30.12 2kha n ARG 69 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2kha n ASN 70 N 0.16 1.24 -4.61 0.55 4.13 -1.26 -4.62 115.26 110.84 2kha n ASN 70 Ca 0.16 -2.13 -0.34 0.00 1.68 0.00 0.00 54.58 53.95 2kha n ASN 70 Cb 0.78 -0.35 -0.10 0.00 -1.54 0.00 0.00 39.78 38.56 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kha s ALA 71 N -1.12 3.35 -1.20 5.41 0.00 -1.25 -5.03 121.76 121.92 2kha s ALA 71 Ca 0.33 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.33 2kha s ALA 71 Cb 0.37 -1.88 0.08 0.00 0.00 0.00 0.00 23.12 21.69 2kha s ALA 71 CO -0.13 0.16 1.61 0.21 0.00 0.00 0.00 175.76 177.60 2kha s LYS 72 N 0.41 3.87 -0.26 0.00 2.20 -1.26 -4.07 119.74 120.64 2kha s LYS 72 Ca 0.02 -1.79 -0.09 0.00 -0.36 0.00 0.00 55.97 53.75 2kha s LYS 72 Cb -0.13 -5.42 -0.04 0.00 -1.51 0.00 0.00 37.83 30.73 2kha s LYS 72 CO 0.01 -2.18 0.13 -0.51 -0.36 0.00 0.00 175.35 172.43 2kha s LEU 73 N 4.15 3.78 0.03 5.43 1.02 -1.26 -5.09 118.68 126.75 2kha s LEU 73 Ca 0.50 -0.07 0.04 0.00 0.02 0.00 0.00 54.13 54.62 2kha s LEU 73 Cb 0.02 -2.03 -0.04 0.00 0.02 0.00 0.00 46.19 44.17 2kha s LEU 73 CO 0.02 -0.01 -0.06 -0.54 0.02 0.00 0.00 176.35 175.77 2kha s LYS 74 N 1.52 2.50 0.26 1.70 3.01 -1.26 -4.97 119.74 122.50 2kha s LYS 74 Ca 0.06 -0.78 -0.31 0.00 -1.01 0.00 0.00 55.97 53.94 2kha s LYS 74 Cb -0.15 -2.49 -0.12 0.00 -1.01 0.00 0.00 37.83 34.06 2kha s LYS 74 CO 0.07 0.58 1.61 -0.11 0.51 0.00 0.00 175.35 178.01 2kha n LEU 75 N 1.27 4.07 0.00 3.17 0.00 -1.25 -1.97 117.00 122.30 2kha n LEU 75 Ca -0.14 1.12 0.00 0.00 0.00 0.00 0.00 56.01 56.99 2kha n LEU 75 Cb 0.52 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 42.38 2kha n LEU 75 CO 0.33 0.08 0.00 0.61 0.00 0.00 0.00 177.39 178.40 2kha n GLY 76 N 2.72 2.73 3.62 -3.96 0.00 -1.25 -4.82 105.19 104.23 2kha n GLY 76 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2kha n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kha s ASP 77 N 0.51 2.41 0.21 1.61 -1.08 -0.83 -4.75 116.67 114.75 2kha s ASP 77 Ca 0.00 1.91 0.10 0.00 -0.52 0.00 0.00 52.55 54.05 2kha s ASP 77 Cb 0.00 -2.46 -0.05 0.00 -1.46 0.00 0.00 42.92 38.96 2kha s ASP 77 CO 0.00 -3.37 -0.20 -0.75 0.52 0.00 0.00 175.17 171.37 2kha s LYS 78 N -4.62 1.46 0.04 4.34 2.47 -1.26 -1.72 119.74 120.44 2kha s LYS 78 Ca 0.67 -1.56 0.05 0.00 -1.56 0.00 0.00 55.97 53.57 2kha s LYS 78 Cb -0.23 -1.56 -0.03 0.00 -1.46 0.00 0.00 37.83 34.54 2kha s LYS 78 CO 0.60 0.31 -0.11 0.42 0.16 0.00 0.00 175.35 176.73 2kha s ILE 79 N -2.17 3.31 -0.10 5.43 1.09 0.33 0.41 121.20 129.50 2kha s ILE 79 Ca 0.22 -1.02 -0.04 0.00 -1.10 0.00 0.00 60.65 58.71 2kha s ILE 79 Cb -0.06 -2.45 0.05 0.00 -1.06 0.00 0.00 42.46 38.94 2kha s ILE 79 CO 0.10 0.31 0.19 -0.31 -0.10 0.00 0.00 174.94 175.12 2kha s TYR 80 N -1.02 -0.24 0.24 3.97 1.51 -0.62 -2.18 117.35 119.00 2kha s TYR 80 Ca 0.17 0.70 -0.04 0.00 -1.01 0.00 0.00 57.07 56.90 2kha s TYR 80 Cb -0.11 -0.20 0.02 0.00 -0.11 0.00 0.00 41.96 41.56 2kha s TYR 80 CO 0.08 -0.29 0.38 1.97 -1.11 0.00 0.00 175.55 176.58 2kha n PHE 81 N 5.29 -1.36 -3.67 2.71 1.16 -0.86 0.36 117.46 121.09 2kha n PHE 81 Ca -0.06 -1.41 -0.09 0.00 -1.87 0.00 0.00 57.45 54.02 2kha n PHE 81 Cb 0.50 0.44 -0.10 0.00 -1.61 0.00 0.00 39.48 38.71 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 -3.99 -0.73 0.04 2.97 1.48 0.20 -1.13 118.94 117.78 2kha s TRP 82 Ca 0.16 1.46 -0.01 0.00 -1.06 0.00 0.00 56.10 56.65 2kha s TRP 82 Cb -0.01 0.31 -0.04 0.00 -1.16 0.00 0.00 33.47 32.57 2kha s TRP 82 CO 0.12 -0.42 0.20 0.95 -4.06 0.00 0.00 176.95 173.74 2kha s THR 83 N 1.99 5.40 0.17 0.66 -4.23 -1.08 -2.15 115.64 116.40 2kha s THR 83 Ca -0.06 -0.33 0.07 0.00 -1.18 0.00 0.00 61.69 60.19 2kha s THR 83 Cb -0.10 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 2kha s THR 83 CO -0.13 0.19 -0.15 -0.47 -0.54 0.00 0.00 174.62 173.51 2kha s TYR 84 N -1.46 1.62 0.12 3.99 5.04 0.47 0.51 117.35 127.65 2kha s TYR 84 Ca 0.33 -0.55 -0.06 0.00 -2.44 0.00 0.00 57.07 54.35 2kha s TYR 84 Cb -0.13 -0.80 -0.02 0.00 0.35 0.00 0.00 41.96 41.36 2kha s TYR 84 CO 0.26 0.27 0.17 0.54 -1.34 0.00 0.00 175.55 175.45 2kha s VAL 85 N -2.50 0.11 -0.22 3.14 0.11 0.15 -0.34 120.40 120.85 2kha s VAL 85 Ca 0.16 -1.51 -0.04 0.00 -2.93 0.00 0.00 61.98 57.66 2kha s VAL 85 Cb -0.03 -1.73 0.07 0.00 -1.53 0.00 0.00 36.38 33.16 2kha s VAL 85 CO 0.05 -0.50 0.09 -0.63 -3.33 0.00 0.00 175.10 170.78 2kha s ILE 86 N -3.96 0.09 -0.95 7.04 -1.09 0.26 -2.19 121.20 120.40 2kha s ILE 86 Ca 0.15 -0.49 -0.00 0.00 -2.23 0.00 0.00 60.65 58.07 2kha s ILE 86 Cb 0.05 -0.85 0.32 0.00 -1.58 0.00 0.00 42.46 40.40 2kha s ILE 86 CO -0.03 -0.43 1.59 1.17 -1.23 0.00 0.00 174.94 176.00 2kha n LYS 87 N 5.20 4.82 -2.18 2.79 4.81 -1.03 0.36 118.16 132.92 2kha n LYS 87 Ca -0.07 -4.68 -0.03 0.00 -0.87 0.00 0.00 58.31 52.66 2kha n LYS 87 Cb 0.46 -2.43 0.01 0.00 0.02 0.00 0.00 35.03 33.09 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 0.19 -4.19 -1.18 3.14 -0.08 -1.26 -3.98 116.55 109.18 2kha n ASP 88 Ca 0.40 -0.15 -0.11 0.00 -1.51 0.00 0.00 54.79 53.42 2kha n ASP 88 Cb 0.30 -2.64 -0.01 0.00 2.34 0.00 0.00 41.12 41.11 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 -1.35 0.08 2.43 0.27 0.00 -1.26 -4.97 105.19 100.39 2kha n GLY 89 Ca -0.01 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.51 -1.00 -4.88 0.99 4.77 -1.26 -5.14 117.00 108.97 2kha n LEU 90 Ca -0.13 -4.13 -0.29 0.00 -0.03 0.00 0.00 56.01 51.43 2kha n LEU 90 Cb 0.57 0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 42.27 2kha n LEU 90 CO 0.15 1.92 0.54 -0.83 -1.33 0.00 0.00 177.39 177.84 2kha s GLY 91 N -0.11 1.67 -0.04 -0.72 0.00 -1.24 -2.48 107.32 104.39 2kha s GLY 91 Ca 0.33 -0.27 -0.19 0.00 0.00 0.00 0.00 44.72 44.58 2kha s GLY 91 CO -0.16 -0.06 0.42 -0.19 0.00 0.00 0.00 173.10 173.10 2kha s TYR 92 N -2.80 -0.34 0.08 1.90 2.02 -0.93 -4.93 117.35 112.35 2kha s TYR 92 Ca 0.51 0.59 0.04 0.00 -0.37 0.00 0.00 57.07 57.85 2kha s TYR 92 Cb -0.10 0.18 -0.03 0.00 -0.40 0.00 0.00 41.96 41.61 2kha s TYR 92 CO 0.44 -0.43 -0.12 -0.98 -1.57 0.00 0.00 175.55 172.89 2kha s ARG 93 N -1.11 0.82 -0.95 -0.62 3.03 -1.24 -0.68 118.95 118.21 2kha s ARG 93 Ca -0.11 -1.03 -0.02 0.00 2.03 0.00 0.00 55.73 56.59 2kha s ARG 93 Cb -0.04 -0.67 0.26 0.00 -1.03 0.00 0.00 34.95 33.47 2kha s ARG 93 CO 0.05 0.13 1.00 0.94 -1.13 0.00 0.00 175.30 176.30 2kha n GLN 94 N 0.96 3.22 -1.76 3.89 7.27 0.18 -4.75 117.38 126.39 2kha n GLN 94 Ca -0.19 -4.52 -0.30 0.00 0.07 0.00 0.00 57.00 52.06 2kha n GLN 94 Cb 0.56 -2.44 0.20 0.00 2.41 0.00 0.00 30.24 30.97 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 -0.62 2.62 -0.95 1.69 1.47 -1.26 -2.63 116.67 116.99 2kha s ASP 95 Ca 0.31 0.32 0.00 0.00 1.18 0.00 0.00 52.55 54.36 2kha s ASP 95 Cb -0.02 -0.38 0.00 0.00 -0.34 0.00 0.00 42.92 42.18 2kha s ASP 95 CO -0.05 -3.05 0.00 -3.20 0.68 0.00 0.00 175.17 169.56 2kha n ASN 96 N -3.99 -5.32 -4.79 2.11 2.85 -1.16 -4.91 115.26 100.05 2kha n ASN 96 Ca 0.15 0.22 -0.30 0.00 -0.11 0.00 0.00 54.58 54.54 2kha n ASN 96 Cb 0.59 -3.61 0.09 0.00 1.24 0.00 0.00 39.78 38.09 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 -2.41 1.65 0.09 8.20 0.00 -0.28 -4.89 107.32 109.67 2kha s GLY 97 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 44.72 44.54 2kha s GLY 97 CO 0.00 0.38 0.44 -1.83 0.00 0.00 0.00 173.10 172.09 2kha s GLU 98 N -5.04 1.04 0.19 2.90 1.03 -1.26 -2.03 118.70 115.53 2kha s GLU 98 Ca 0.60 -0.52 -0.17 0.00 0.03 0.00 0.00 54.97 54.92 2kha s GLU 98 Cb -0.15 0.46 0.03 0.00 -0.80 0.00 0.00 34.13 33.67 2kha s GLU 98 CO 0.55 -0.39 0.51 -0.46 -1.33 0.00 0.00 175.26 174.14 2kha s TRP 99 N -3.20 -0.10 0.23 4.83 -0.00 -0.92 -4.94 118.94 114.84 2kha s TRP 99 Ca -0.01 -0.24 0.07 0.00 -0.00 0.00 0.00 56.10 55.91 2kha s TRP 99 Cb 0.00 0.36 -0.04 0.00 -0.00 0.00 0.00 33.47 33.80 2kha s TRP 99 CO -0.08 -0.89 0.19 -0.08 -0.00 0.00 0.00 176.95 176.09 2kha s THR 100 N -3.87 4.49 0.00 5.86 -1.32 -1.26 0.12 115.64 119.66 2kha s THR 100 Ca 0.09 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 2kha s THR 100 Cb -0.01 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 2kha s THR 100 CO -0.03 -0.30 0.28 0.52 -2.21 0.00 0.00 174.62 172.88 2kha n VAL 101 N -1.01 0.00 0.37 5.08 0.31 -0.70 -4.66 118.33 117.72 2kha n VAL 101 Ca -0.08 -0.49 0.05 0.00 -0.01 0.00 0.00 64.34 63.80 2kha n VAL 101 Cb 0.57 1.01 0.22 0.00 -0.91 0.00 0.00 33.84 34.73 2kha n VAL 101 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2kha n THR 102 N -0.43 1.16 -5.00 2.52 5.66 -1.26 -3.82 114.28 113.12 2kha n THR 102 Ca 0.00 0.29 -0.27 0.00 -3.05 0.00 0.00 64.05 61.02 2kha n THR 102 Cb 0.00 -1.13 -0.16 0.00 -1.55 0.00 0.00 70.33 67.50 2kha n THR 102 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2kha s GLU 103 N -2.86 1.71 -0.05 1.09 2.02 -1.26 -4.73 118.70 114.62 2kha s GLU 103 Ca 0.06 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.35 2kha s GLU 103 Cb 0.06 -1.62 0.01 0.00 0.10 0.00 0.00 34.13 32.68 2kha s GLU 103 CO 0.16 0.42 -0.10 -0.06 0.02 0.00 0.00 175.26 175.70 2kha s PHE 104 N -0.42 1.22 0.26 1.61 0.40 -1.26 -3.94 117.98 115.85 2kha s PHE 104 Ca 0.06 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.03 2kha s PHE 104 Cb -0.08 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 2kha s PHE 104 CO -0.00 -0.21 0.40 0.14 0.70 0.00 0.00 175.22 176.24 2kha s VAL 105 N 0.56 5.23 0.50 -0.44 -7.23 0.35 0.11 120.40 119.47 2kha s VAL 105 Ca -0.11 -0.85 -0.18 0.00 -1.81 0.00 0.00 61.98 59.04 2kha s VAL 105 Cb -0.14 -3.85 -0.08 0.00 0.56 0.00 0.00 36.38 32.87 2kha s VAL 105 CO 0.02 -0.36 0.98 0.20 -0.31 0.00 0.00 175.10 175.63 2kha s ASN 106 N -3.93 6.65 0.50 4.85 0.01 1.07 -1.96 114.94 122.12 2kha s ASN 106 Ca 0.35 1.62 0.26 0.00 -0.71 0.00 0.00 52.86 54.38 2kha s ASN 106 Cb -0.09 -2.52 1.43 0.00 0.41 0.00 0.00 41.25 40.48 2kha s ASN 106 CO 0.30 -0.57 1.78 1.05 -1.51 0.00 0.00 177.10 178.15 2kha h GLU 107 N 1.13 0.00 -0.03 -0.60 9.09 -1.87 0.88 114.58 123.18 2kha h GLU 107 Ca -0.47 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 58.80 2kha h GLU 107 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 2kha h GLU 107 CO 0.61 0.00 -0.62 -0.44 0.05 0.00 0.00 179.01 178.61 2kha h ASP 108 N 0.00 0.15 0.00 3.06 3.32 -1.97 -3.47 116.42 117.50 2kha h ASP 108 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2kha h ASP 108 Cb 0.39 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2kha h ASP 108 CO 0.00 0.73 0.00 0.61 -1.72 0.00 0.00 179.24 178.86 2kha n GLY 109 N 0.27 1.83 3.14 2.75 0.00 0.30 -5.14 105.19 108.36 2kha n GLY 109 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 0.72 0.06 2.61 -4.23 -1.23 -4.86 115.64 106.72 2kha s THR 110 Ca 0.00 -1.64 -0.34 0.00 -1.18 0.00 0.00 61.69 58.53 2kha s THR 110 Cb 0.00 -1.32 -0.13 0.00 1.34 0.00 0.00 72.50 72.39 2kha s THR 110 CO 0.00 -0.66 1.69 -2.65 -0.54 0.00 0.00 174.62 172.46 2kha n PRO 111 N 0.50 2.14 -2.74 3.99 -0.02 -1.26 0.35 135.00 137.96 2kha n PRO 111 Ca -0.16 0.78 -0.05 0.00 -2.02 0.00 0.00 63.50 62.05 2kha n PRO 111 Cb 0.58 -2.57 0.04 0.00 -0.02 0.00 0.00 33.50 31.53 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 4.65 3.04 -0.49 3.55 0.00 0.29 -4.68 120.51 126.88 2kha n ALA 112 Ca 0.19 -2.97 -0.11 0.00 0.00 0.00 0.00 53.44 50.56 2kha n ALA 112 Cb 0.29 -0.89 0.18 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.37 -3.28 -3.56 0.00 -0.08 -0.72 -4.76 116.55 103.77 2kha n ASP 113 Ca 0.09 -0.54 -0.41 0.00 -1.51 0.00 0.00 54.79 52.42 2kha n ASP 113 Cb 0.81 -0.68 -0.01 0.00 2.34 0.00 0.00 41.12 43.58 2kha n ASP 113 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2kha n THR 114 N -4.73 3.72 -1.57 5.18 5.66 -1.26 -4.79 114.28 116.50 2kha n THR 114 Ca 0.09 -2.79 0.00 0.00 -3.05 0.00 0.00 64.05 58.29 2kha n THR 114 Cb 0.37 -2.60 0.00 0.00 -1.55 0.00 0.00 70.33 66.55 2kha n THR 114 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2kha n SER 115 N 5.18 -8.29 -3.43 1.09 2.88 -1.26 -4.88 113.62 104.90 2kha n SER 115 Ca 0.62 1.14 -0.31 0.00 -1.33 0.00 0.00 58.87 58.98 2kha n SER 115 Cb 0.33 -4.10 -0.05 0.00 -0.75 0.00 0.00 64.21 59.64 2kha n SER 115 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kha n LEU 116 N 0.34 4.72 -3.15 2.46 4.77 -1.26 -4.94 117.00 119.94 2kha n LEU 116 Ca 0.00 -5.46 0.04 0.00 -0.03 0.00 0.00 56.01 50.56 2kha n LEU 116 Cb 0.00 -0.79 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 2kha n LEU 116 CO 0.00 2.06 0.20 -0.70 -1.33 0.00 0.00 177.39 177.62 2kha s GLU 117 N -2.92 0.50 0.00 3.23 2.12 -1.26 -5.23 118.70 115.14 2kha s GLU 117 Ca 0.40 0.68 0.14 0.00 0.36 0.00 0.00 54.97 56.55 2kha s GLU 117 Cb 0.16 0.35 0.85 0.00 0.26 0.00 0.00 34.13 35.76 2kha s GLU 117 CO -0.03 -0.75 1.27 -0.35 -0.54 0.00 0.00 175.26 174.87