#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 2.05 0.28 1.08 5.04 -1.26 -5.11 117.35 119.43 2kha s TYR 7 Ca 0.00 0.15 0.12 0.00 -2.44 0.00 0.00 57.07 54.90 2kha s TYR 7 Cb 0.00 -3.41 -0.05 0.00 0.35 0.00 0.00 41.96 38.85 2kha s TYR 7 CO 0.00 -1.89 -0.17 0.08 -1.34 0.00 0.00 175.55 172.22 2kha s VAL 8 N -3.41 2.62 0.29 3.14 1.01 -1.26 -4.99 120.40 117.81 2kha s VAL 8 Ca 0.66 -2.33 -0.29 0.00 0.00 0.00 0.00 61.98 60.02 2kha s VAL 8 Cb -0.07 -2.38 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 2kha s VAL 8 CO 0.47 -0.39 1.30 0.54 0.00 0.00 0.00 175.10 177.02 2kha s VAL 9 N -2.47 2.88 0.34 2.92 0.11 -1.26 -5.01 120.40 117.90 2kha s VAL 9 Ca 0.30 0.84 -0.06 0.00 -2.93 0.00 0.00 61.98 60.13 2kha s VAL 9 Cb -0.05 -3.53 0.08 0.00 -1.53 0.00 0.00 36.38 31.35 2kha s VAL 9 CO 0.16 0.18 0.27 -0.81 -3.33 0.00 0.00 175.10 171.57 2kha n PRO 10 N 1.32 -1.87 -4.19 1.54 -0.04 -1.26 -4.86 135.00 125.63 2kha n PRO 10 Ca 0.02 -0.44 -0.34 0.00 -0.04 0.00 0.00 63.50 62.69 2kha n PRO 10 Cb 0.42 -0.44 -0.14 0.00 -0.04 0.00 0.00 33.50 33.30 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 -2.28 4.40 -0.54 3.54 0.15 -1.26 -4.70 113.70 113.00 2kha s SER 11 Ca 0.18 -0.31 -0.25 0.00 0.70 0.00 0.00 55.95 56.27 2kha s SER 11 Cb -0.02 -1.73 0.04 0.00 -1.71 0.00 0.00 66.02 62.59 2kha s SER 11 CO 0.14 0.06 1.00 0.00 1.20 0.00 0.00 173.24 175.65 2kha s ALA 12 N 0.99 3.14 -0.39 5.45 0.00 -1.25 -4.00 121.76 125.69 2kha s ALA 12 Ca 0.00 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 2kha s ALA 12 Cb -0.15 -3.79 0.01 0.00 0.00 0.00 0.00 23.12 19.19 2kha s ALA 12 CO 0.00 -2.38 0.55 0.15 0.00 0.00 0.00 175.76 174.08 2kha s LYS 13 N 4.16 3.44 0.33 0.00 1.02 0.25 -4.83 119.74 124.11 2kha s LYS 13 Ca 0.35 -0.30 0.07 0.00 0.02 0.00 0.00 55.97 56.11 2kha s LYS 13 Cb -0.11 -3.88 -0.01 0.00 -0.52 0.00 0.00 37.83 33.31 2kha s LYS 13 CO 0.22 -0.80 0.43 -0.51 -0.92 0.00 0.00 175.35 173.78 2kha s LEU 14 N 2.51 3.92 -0.15 3.17 1.02 -1.26 -0.85 118.68 127.04 2kha s LEU 14 Ca 0.19 -0.23 -0.21 0.00 0.02 0.00 0.00 54.13 53.90 2kha s LEU 14 Cb -0.15 -2.66 0.05 0.00 0.02 0.00 0.00 46.19 43.45 2kha s LEU 14 CO 0.15 -0.40 0.55 -1.83 0.02 0.00 0.00 176.35 174.84 2kha s GLU 15 N -4.13 0.74 -0.45 1.70 -1.05 -0.27 -4.97 118.70 110.28 2kha s GLU 15 Ca 0.44 0.54 -0.24 0.00 -0.15 0.00 0.00 54.97 55.56 2kha s GLU 15 Cb -0.09 0.35 0.02 0.00 -0.44 0.00 0.00 34.13 33.98 2kha s GLU 15 CO 0.30 -0.14 0.84 0.00 0.95 0.00 0.00 175.26 177.21 2kha s ALA 16 N -0.23 3.28 0.31 -0.84 0.00 -1.25 -2.43 121.76 120.61 2kha s ALA 16 Ca -0.04 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 2kha s ALA 16 Cb -0.03 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 2kha s ALA 16 CO 0.03 -1.94 0.89 0.42 0.00 0.00 0.00 175.76 175.16 2kha s ILE 17 N 3.47 4.33 -0.06 0.00 -1.09 0.01 0.14 121.20 128.00 2kha s ILE 17 Ca 0.33 1.63 -0.01 0.00 -2.23 0.00 0.00 60.65 60.37 2kha s ILE 17 Cb -0.11 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 2kha s ILE 17 CO 0.24 0.09 0.02 -0.47 -1.23 0.00 0.00 174.94 173.59 2kha s TYR 18 N -1.67 3.19 -2.63 3.97 5.04 -1.25 -2.44 117.35 121.56 2kha s TYR 18 Ca 0.50 0.19 0.27 0.00 -2.44 0.00 0.00 57.07 55.59 2kha s TYR 18 Cb -0.17 -1.77 0.77 0.00 0.35 0.00 0.00 41.96 41.15 2kha s TYR 18 CO 0.22 0.50 1.59 -0.35 -1.34 0.00 0.00 175.55 176.16 2kha n PRO 19 N 1.84 1.85 -3.16 4.97 -0.04 -1.26 -4.83 135.00 134.37 2kha n PRO 19 Ca -0.17 -1.25 0.02 0.00 -0.04 0.00 0.00 63.50 62.06 2kha n PRO 19 Cb 0.53 -1.47 -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 -0.98 -0.04 0.00 0.00 175.50 174.48 2kha s ARG 20 N -2.01 0.64 -0.04 0.54 1.70 -1.19 -4.92 118.95 113.67 2kha s ARG 20 Ca 0.35 0.10 -0.31 0.00 -0.47 0.00 0.00 55.73 55.39 2kha s ARG 20 Cb 0.21 0.15 0.13 0.00 -0.57 0.00 0.00 34.95 34.87 2kha s ARG 20 CO 0.33 -1.03 1.30 0.20 -1.08 0.00 0.00 175.30 175.02 2kha s GLY 21 N 2.31 -0.41 -0.19 3.88 0.00 -1.02 -4.21 107.32 107.68 2kha s GLY 21 Ca 0.14 0.80 -0.07 0.00 0.00 0.00 0.00 44.72 45.59 2kha s GLY 21 CO -0.16 0.16 0.40 -2.27 0.00 0.00 0.00 173.10 171.23 2kha s LEU 22 N -2.92 -0.51 -0.10 0.66 1.98 0.31 -0.81 118.68 117.29 2kha s LEU 22 Ca 0.14 0.93 0.02 0.00 -2.89 0.00 0.00 54.13 52.33 2kha s LEU 22 Cb 0.05 1.28 -0.02 0.00 0.66 0.00 0.00 46.19 48.16 2kha s LEU 22 CO -0.04 -0.23 -0.15 -0.60 -1.89 0.00 0.00 176.35 173.44 2kha s ARG 23 N 2.38 3.07 0.22 1.98 3.52 -1.02 0.10 118.95 129.21 2kha s ARG 23 Ca -0.03 -0.72 0.09 0.00 -0.13 0.00 0.00 55.73 54.94 2kha s ARG 23 Cb -0.11 -2.50 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 2kha s ARG 23 CO -0.12 0.33 -0.17 0.08 -0.81 0.00 0.00 175.30 174.61 2kha s VAL 24 N 0.04 1.96 -0.08 7.11 1.01 -0.76 -1.11 120.40 128.56 2kha s VAL 24 Ca -0.06 -2.20 -0.15 0.00 0.00 0.00 0.00 61.98 59.57 2kha s VAL 24 Cb -0.15 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.19 2kha s VAL 24 CO 0.05 -0.48 0.37 -0.44 0.00 0.00 0.00 175.10 174.60 2kha s SER 25 N -3.23 -0.33 -0.03 3.32 0.01 -0.03 -1.87 113.70 111.54 2kha s SER 25 Ca 0.23 0.48 -0.01 0.00 1.31 0.00 0.00 55.95 57.96 2kha s SER 25 Cb -0.03 0.57 0.03 0.00 0.21 0.00 0.00 66.02 66.81 2kha s SER 25 CO 0.09 -0.30 0.06 0.27 0.41 0.00 0.00 173.24 173.77 2kha s ILE 26 N -0.54 -0.07 -0.68 1.44 -4.36 -1.02 0.84 121.20 116.82 2kha s ILE 26 Ca -0.06 0.24 -0.25 0.00 -0.26 0.00 0.00 60.65 60.32 2kha s ILE 26 Cb -0.04 -0.13 -0.12 0.00 1.25 0.00 0.00 42.46 43.42 2kha s ILE 26 CO 0.03 0.10 2.42 -0.81 0.24 0.00 0.00 174.94 176.92 2kha n PRO 27 N 4.38 0.72 -0.67 0.37 -0.04 -1.26 -2.14 135.00 136.36 2kha n PRO 27 Ca -0.24 -0.39 -0.31 0.00 -0.04 0.00 0.00 63.50 62.53 2kha n PRO 27 Cb 0.50 -3.35 0.17 0.00 -0.04 0.00 0.00 33.50 30.78 2kha n PRO 27 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kha s ASP 28 N 10.92 2.75 -0.33 3.54 2.15 -0.40 -4.61 116.67 130.68 2kha s ASP 28 Ca 0.99 2.16 0.17 0.00 0.43 0.00 0.00 52.55 56.30 2kha s ASP 28 Cb -0.24 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.28 2kha s ASP 28 CO 0.21 -3.21 1.17 -0.67 -0.17 0.00 0.00 175.17 172.50 2kha n ASP 29 N -4.30 0.30 -2.39 -0.34 2.03 -1.26 -4.82 116.55 105.77 2kha n ASP 29 Ca 0.11 -2.41 -0.14 0.00 0.52 0.00 0.00 54.79 52.87 2kha n ASP 29 Cb 0.52 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.98 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 -0.53 0.03 0.48 0.27 0.00 -1.26 -5.02 105.19 99.16 2kha n GLY 30 Ca 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.90 -3.77 0.00 1.61 3.72 -1.26 -4.79 117.46 109.07 2kha n PHE 31 Ca -0.01 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2kha n PHE 31 Cb 0.54 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -3.07 1.99 -3.79 4.37 7.64 1.09 -4.89 113.62 116.97 2kha n SER 32 Ca 0.02 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.76 2kha n SER 32 Cb 0.07 0.23 -0.15 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.03 1.25 -0.44 -3.43 2.96 -1.03 -4.20 118.68 111.77 2kha s LEU 33 Ca 0.00 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 2kha s LEU 33 Cb 0.00 -0.01 0.12 0.00 0.50 0.00 0.00 46.19 46.80 2kha s LEU 33 CO 0.00 -0.10 0.20 0.12 -1.32 0.00 0.00 176.35 175.25 2kha s PHE 34 N 0.83 2.72 -0.03 5.38 5.36 0.60 0.94 117.98 133.78 2kha s PHE 34 Ca -0.07 -2.74 -0.23 0.00 -0.96 0.00 0.00 56.93 52.94 2kha s PHE 34 Cb -0.10 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 2kha s PHE 34 CO -0.03 -0.81 0.69 0.00 -1.46 0.00 0.00 175.22 173.61 2kha s ALA 35 N 0.35 3.38 -0.14 11.12 0.00 0.53 -1.65 121.76 135.34 2kha s ALA 35 Ca 0.15 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.27 2kha s ALA 35 Cb -0.23 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2kha s ALA 35 CO -0.04 -0.00 -0.19 0.12 0.00 0.00 0.00 175.76 175.64 2kha s PHE 36 N 0.39 2.51 -0.16 0.00 2.19 -0.47 0.63 117.98 123.07 2kha s PHE 36 Ca 0.36 -1.33 0.00 0.00 0.33 0.00 0.00 56.93 56.30 2kha s PHE 36 Cb -0.18 -1.74 0.03 0.00 -1.31 0.00 0.00 43.02 39.81 2kha s PHE 36 CO 0.19 -0.64 -0.13 -1.01 1.83 0.00 0.00 175.22 175.46 2kha s HIS 37 N 1.04 2.14 -0.16 10.12 3.76 -0.75 -2.14 115.29 129.31 2kha s HIS 37 Ca -0.03 -1.24 -0.10 0.00 -0.15 0.00 0.00 55.06 53.54 2kha s HIS 37 Cb -0.14 -1.56 0.05 0.00 1.11 0.00 0.00 32.58 32.03 2kha s HIS 37 CO -0.06 -0.67 0.39 0.20 -0.85 0.00 0.00 174.74 173.76 2kha s GLY 38 N 1.50 -0.30 0.06 -2.22 0.00 -0.72 -0.48 107.32 105.16 2kha s GLY 38 Ca 0.04 1.36 0.03 0.00 0.00 0.00 0.00 44.72 46.14 2kha s GLY 38 CO -0.10 1.43 0.06 1.25 0.00 0.00 0.00 173.10 175.74 2kha s LYS 39 N 1.03 2.86 -0.26 2.90 2.20 0.82 0.20 119.74 129.49 2kha s LYS 39 Ca -0.07 -0.67 -0.11 0.00 -0.36 0.00 0.00 55.97 54.76 2kha s LYS 39 Cb -0.07 -2.72 -0.05 0.00 -1.51 0.00 0.00 37.83 33.48 2kha s LYS 39 CO -0.08 0.58 0.20 -1.17 -0.36 0.00 0.00 175.35 174.51 2kha s LEU 40 N -2.22 4.06 -1.07 5.43 2.96 -1.26 -2.25 118.68 124.33 2kha s LEU 40 Ca 0.27 0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 2kha s LEU 40 Cb -0.12 -2.14 -0.06 0.00 0.50 0.00 0.00 46.19 44.37 2kha s LEU 40 CO 0.19 -0.01 0.92 -3.20 -1.32 0.00 0.00 176.35 172.93 2kha n ASN 41 N 4.75 -6.07 0.00 3.68 2.85 -0.20 -5.00 115.26 115.26 2kha n ASN 41 Ca -0.14 -0.72 0.00 0.00 -0.11 0.00 0.00 54.58 53.61 2kha n ASN 41 Cb 0.52 -5.09 0.00 0.00 1.24 0.00 0.00 39.78 36.45 2kha n ASN 41 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2kha n GLU 42 N -3.39 0.00 0.00 1.20 2.13 -1.26 -5.04 120.64 114.28 2kha n GLU 42 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2kha n GLU 42 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 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 -0.77 -3.55 5.31 1.02 -1.26 -4.67 120.64 116.73 2kha n GLU 43 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2kha n GLU 43 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 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 -1.99 0.92 -0.31 3.49 0.23 -1.26 -4.98 119.30 115.40 2kha s MET 44 Ca 0.00 0.33 0.16 0.00 -1.03 0.00 0.00 55.69 55.16 2kha s MET 44 Cb 0.00 0.43 0.47 0.00 -1.53 0.00 0.00 34.83 34.21 2kha s MET 44 CO 0.00 -0.26 1.06 -3.47 -2.03 0.00 0.00 175.02 170.31 2kha n ASP 45 N 1.12 2.40 0.00 -1.18 2.03 -1.26 -4.92 116.55 114.75 2kha n ASP 45 Ca -0.16 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.39 2kha n ASP 45 Cb 0.57 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.38 -0.55 2.53 0.27 0.00 -1.26 -5.03 105.19 100.77 2kha n GLY 46 Ca 0.17 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 3.14 -4.84 0.99 4.77 -1.26 -5.02 117.00 114.78 2kha n LEU 47 Ca 0.00 -5.29 -0.36 0.00 -0.03 0.00 0.00 56.01 50.33 2kha n LEU 47 Cb 0.00 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 2kha n LEU 47 CO 0.00 1.97 0.24 -1.61 -1.33 0.00 0.00 177.39 176.67 2kha s GLU 48 N -2.03 4.01 0.60 3.23 2.02 -1.26 -4.96 118.70 120.31 2kha s GLU 48 Ca 0.35 0.53 0.29 0.00 0.02 0.00 0.00 54.97 56.16 2kha s GLU 48 Cb 0.10 -2.97 1.54 0.00 0.10 0.00 0.00 34.13 32.90 2kha s GLU 48 CO -0.07 0.50 1.95 0.00 0.02 0.00 0.00 175.26 177.66 2kha h ALA 49 N 3.68 2.00 -0.36 5.21 0.00 -1.99 -3.45 119.26 124.35 2kha h ALA 49 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kha h ALA 49 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kha h ALA 49 CO 0.65 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2kha n GLY 50 N -1.45 1.72 0.00 0.00 0.00 -1.26 -4.49 105.19 99.71 2kha n GLY 50 Ca 0.06 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.60 0.00 -1.61 1.61 8.25 0.53 -4.67 115.22 119.93 2kha n HIS 51 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2kha n HIS 51 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 2kha n HIS 51 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kha s TRP 52 N 0.00 1.17 -0.68 4.41 0.51 0.82 -4.73 118.94 120.44 2kha s TRP 52 Ca 0.00 1.73 0.04 0.00 -2.12 0.00 0.00 56.10 55.74 2kha s TRP 52 Cb 0.00 -3.54 0.17 0.00 -0.81 0.00 0.00 33.47 29.28 2kha s TRP 52 CO 0.00 -1.95 0.47 0.00 -0.51 0.00 0.00 176.95 174.96 2kha s ALA 53 N 13.42 3.75 -0.03 0.98 0.00 -1.21 -1.75 121.76 136.92 2kha s ALA 53 Ca 0.92 -3.69 0.02 0.00 0.00 0.00 0.00 51.96 49.21 2kha s ALA 53 Cb -0.14 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2kha s ALA 53 CO 0.14 -2.09 -0.06 0.50 0.00 0.00 0.00 175.76 174.25 2kha s ARG 54 N -1.11 0.83 -0.34 0.00 3.00 -0.91 -4.98 118.95 115.43 2kha s ARG 54 Ca 0.23 -0.20 -0.09 0.00 -1.00 0.00 0.00 55.73 54.67 2kha s ARG 54 Cb -0.11 -0.80 0.02 0.00 0.00 0.00 0.00 34.95 34.07 2kha s ARG 54 CO -0.12 0.03 0.15 0.34 0.00 0.00 0.00 175.30 175.70 2kha s ASP 55 N 0.47 5.50 0.23 -2.12 -1.08 -1.26 -1.37 116.67 117.03 2kha s ASP 55 Ca -0.07 -0.92 -0.06 0.00 -0.52 0.00 0.00 52.55 50.98 2kha s ASP 55 Cb -0.10 -1.96 -0.06 0.00 -1.46 0.00 0.00 42.92 39.34 2kha s ASP 55 CO 0.00 -0.31 0.49 -0.63 0.52 0.00 0.00 175.17 175.25 2kha s ILE 56 N 1.51 5.05 -0.00 4.11 1.01 -0.66 -4.90 121.20 127.32 2kha s ILE 56 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2kha s ILE 56 Cb -0.19 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 2kha s ILE 56 CO 0.05 -0.14 0.00 0.35 0.00 0.00 0.00 174.94 175.20 2kha n THR 57 N -0.42 0.00 -4.16 2.92 -2.24 -1.26 -0.29 114.28 108.84 2kha n THR 57 Ca -0.01 -0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 2kha n THR 57 Cb 0.53 -0.04 -0.16 0.00 -2.10 0.00 0.00 70.33 68.56 2kha n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kha s LYS 58 N -2.01 2.58 0.00 -0.78 2.36 -1.26 -4.49 119.74 116.14 2kha s LYS 58 Ca -0.00 -0.67 0.00 0.00 -2.55 0.00 0.00 55.97 52.75 2kha s LYS 58 Cb 0.00 -2.26 0.00 0.00 -1.05 0.00 0.00 37.83 34.52 2kha s LYS 58 CO 0.00 -0.19 0.00 -2.30 1.55 0.00 0.00 175.35 174.41 2kha n PRO 59 N 4.60 -0.20 -0.02 4.03 -0.02 -1.26 -4.89 135.00 137.24 2kha n PRO 59 Ca -0.19 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.25 2kha n PRO 59 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.96 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 -0.87 0.11 0.00 -0.52 4.76 -0.76 -4.87 118.16 116.01 2kha n LYS 60 Ca 0.00 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2kha n LYS 60 Cb 0.00 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 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 -2.97 0.00 -0.79 1.97 2.13 -1.26 -4.89 120.64 114.83 2kha n GLU 61 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 2kha n GLU 61 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 2kha n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kha n GLY 62 N 0.00 0.53 3.51 8.31 0.00 -1.26 -4.91 105.19 111.37 2kha n GLY 62 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.48 0.61 0.58 1.61 0.52 -1.26 -1.28 118.95 119.24 2kha s ARG 63 Ca 0.00 1.05 -0.15 0.00 -0.52 0.00 0.00 55.73 56.10 2kha s ARG 63 Cb 0.00 0.11 -0.05 0.00 0.52 0.00 0.00 34.95 35.54 2kha s ARG 63 CO 0.00 -0.14 1.03 -1.58 0.02 0.00 0.00 175.30 174.62 2kha s TRP 64 N 1.40 3.24 -0.09 -0.53 0.52 -0.91 -1.84 118.94 120.74 2kha s TRP 64 Ca -0.09 1.46 -0.01 0.00 0.02 0.00 0.00 56.10 57.48 2kha s TRP 64 Cb -0.06 -2.88 0.03 0.00 -1.15 0.00 0.00 33.47 29.41 2kha s TRP 64 CO -0.15 -0.80 -0.00 0.99 0.02 0.00 0.00 176.95 177.01 2kha s THR 65 N -2.65 0.47 -0.68 2.01 2.01 -1.26 -2.43 115.64 113.11 2kha s THR 65 Ca 0.60 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.56 2kha s THR 65 Cb -0.13 -0.65 0.17 0.00 0.01 0.00 0.00 72.50 71.91 2kha s THR 65 CO 0.38 0.22 0.52 0.12 -0.69 0.00 0.00 174.62 175.17 2kha s PHE 66 N 1.93 3.48 -0.01 4.92 5.36 -0.78 -4.94 117.98 127.94 2kha s PHE 66 Ca 0.04 -2.65 -0.17 0.00 -0.96 0.00 0.00 56.93 53.20 2kha s PHE 66 Cb -0.13 -3.29 -0.06 0.00 -0.34 0.00 0.00 43.02 39.21 2kha s PHE 66 CO -0.06 -0.85 0.47 1.03 -1.46 0.00 0.00 175.22 174.35 2kha s ARG 67 N -0.16 4.10 -0.28 10.12 1.81 -1.26 -1.83 118.95 131.45 2kha s ARG 67 Ca 0.18 0.50 -0.03 0.00 -1.72 0.00 0.00 55.73 54.66 2kha s ARG 67 Cb -0.18 -3.28 0.10 0.00 -0.45 0.00 0.00 34.95 31.14 2kha s ARG 67 CO -0.05 0.54 0.12 0.34 -0.68 0.00 0.00 175.30 175.57 2kha s ASP 68 N -0.65 3.55 -0.13 0.23 -1.08 0.28 -4.96 116.67 113.91 2kha s ASP 68 Ca 0.26 -1.31 0.05 0.00 -0.52 0.00 0.00 52.55 51.03 2kha s ASP 68 Cb -0.17 -0.46 0.36 0.00 -1.46 0.00 0.00 42.92 41.19 2kha s ASP 68 CO 0.14 -0.43 1.16 -2.11 0.52 0.00 0.00 175.17 174.45 2kha n ARG 69 N 5.16 2.50 -0.83 4.34 0.00 -1.26 0.11 116.66 126.68 2kha n ARG 69 Ca -0.05 -1.43 0.05 0.00 -0.00 0.00 0.00 57.85 56.42 2kha n ARG 69 Cb 0.43 -1.78 0.09 0.00 -0.00 0.00 0.00 32.46 31.20 2kha n ARG 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2kha n ASN 70 N 0.16 1.26 -4.23 2.89 4.13 -1.26 -4.61 115.26 113.60 2kha n ASN 70 Ca 0.16 -2.77 -0.42 0.00 1.68 0.00 0.00 54.58 53.24 2kha n ASN 70 Cb 0.77 -0.38 -0.08 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 -1.46 3.43 -1.14 5.41 0.00 -1.25 -5.00 121.76 121.75 2kha s ALA 71 Ca 0.29 -2.53 -0.20 0.00 0.00 0.00 0.00 51.96 49.52 2kha s ALA 71 Cb 0.30 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 2kha s ALA 71 CO -0.08 -1.92 1.93 1.17 0.00 0.00 0.00 175.76 176.86 2kha n LYS 72 N 4.95 2.12 -2.43 0.00 4.81 -1.26 -3.74 118.16 122.61 2kha n LYS 72 Ca -0.09 -2.50 -0.27 0.00 -0.87 0.00 0.00 58.31 54.58 2kha n LYS 72 Cb 0.41 -3.39 0.02 0.00 0.02 0.00 0.00 35.03 32.09 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 5.51 3.33 0.01 3.14 1.43 -1.26 -5.11 118.68 125.73 2kha s LEU 73 Ca 0.59 0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 54.45 2kha s LEU 73 Cb 0.07 -3.66 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 2kha s LEU 73 CO 0.09 -0.94 0.03 -0.54 0.23 0.00 0.00 176.35 175.22 2kha s LYS 74 N -4.94 0.32 0.40 1.70 1.02 -1.26 -5.03 119.74 111.95 2kha s LYS 74 Ca 0.52 -0.43 -0.26 0.00 0.02 0.00 0.00 55.97 55.83 2kha s LYS 74 Cb -0.10 0.12 -0.10 0.00 -0.52 0.00 0.00 37.83 37.22 2kha s LYS 74 CO 0.45 -0.06 1.22 -0.11 -0.92 0.00 0.00 175.35 175.93 2kha n LEU 75 N 1.81 3.62 0.00 3.17 7.94 -1.24 -2.20 117.00 130.10 2kha n LEU 75 Ca -0.22 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 2kha n LEU 75 Cb 0.56 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.05 2kha n LEU 75 CO 0.21 -0.79 0.00 0.61 -1.11 0.00 0.00 177.39 176.31 2kha n GLY 76 N 0.88 2.83 3.72 -3.96 0.00 -1.25 -4.84 105.19 102.57 2kha n GLY 76 Ca 0.07 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2kha n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kha n ASP 77 N 0.47 1.84 -4.56 1.61 -0.08 -0.93 -4.78 116.55 110.12 2kha n ASP 77 Ca 0.00 0.78 -0.27 0.00 -1.51 0.00 0.00 54.79 53.79 2kha n ASP 77 Cb 0.00 -1.54 -0.09 0.00 2.34 0.00 0.00 41.12 41.82 2kha n ASP 77 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2kha s LYS 78 N -3.51 2.03 0.03 -0.67 2.47 -1.26 -1.29 119.74 117.54 2kha s LYS 78 Ca 0.81 -1.28 0.03 0.00 -1.56 0.00 0.00 55.97 53.97 2kha s LYS 78 Cb -0.36 -2.14 -0.04 0.00 -1.46 0.00 0.00 37.83 33.83 2kha s LYS 78 CO 0.42 0.43 -0.02 0.42 0.16 0.00 0.00 175.35 176.76 2kha s ILE 79 N -1.69 3.93 -0.09 5.43 1.09 0.29 -1.04 121.20 129.12 2kha s ILE 79 Ca 0.25 -0.80 -0.04 0.00 -1.10 0.00 0.00 60.65 58.96 2kha s ILE 79 Cb -0.09 -2.78 0.05 0.00 -1.06 0.00 0.00 42.46 38.58 2kha s ILE 79 CO 0.15 0.29 0.18 -0.31 -0.10 0.00 0.00 174.94 175.15 2kha s TYR 80 N -1.13 -0.23 0.19 3.97 2.02 -0.95 -2.30 117.35 118.92 2kha s TYR 80 Ca 0.21 0.66 -0.06 0.00 -0.37 0.00 0.00 57.07 57.51 2kha s TYR 80 Cb -0.11 -0.18 0.02 0.00 -0.40 0.00 0.00 41.96 41.30 2kha s TYR 80 CO 0.12 -0.26 0.36 1.97 -1.57 0.00 0.00 175.55 176.17 2kha n PHE 81 N 5.07 -1.54 -3.68 2.71 -1.74 -1.01 -0.13 117.46 117.15 2kha n PHE 81 Ca -0.10 -0.98 -0.10 0.00 -0.56 0.00 0.00 57.45 55.72 2kha n PHE 81 Cb 0.50 0.43 -0.09 0.00 1.52 0.00 0.00 39.48 41.84 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 -5.29 -0.75 0.13 2.97 1.48 0.37 -1.06 118.94 116.79 2kha s TRP 82 Ca 0.09 1.58 0.06 0.00 -1.06 0.00 0.00 56.10 56.78 2kha s TRP 82 Cb -0.02 0.38 -0.04 0.00 -1.16 0.00 0.00 33.47 32.63 2kha s TRP 82 CO 0.07 -0.39 -0.02 0.95 -4.06 0.00 0.00 176.95 173.50 2kha s THR 83 N 1.30 3.78 -0.04 0.66 -4.23 -1.07 -1.81 115.64 114.23 2kha s THR 83 Ca -0.08 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 2kha s THR 83 Cb -0.07 -2.84 0.02 0.00 1.34 0.00 0.00 72.50 70.96 2kha s THR 83 CO -0.13 0.02 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.48 2kha s TYR 84 N -1.46 0.57 0.33 3.99 5.04 0.20 0.82 117.35 126.84 2kha s TYR 84 Ca 0.26 -0.12 0.09 0.00 -2.44 0.00 0.00 57.07 54.85 2kha s TYR 84 Cb -0.11 -0.56 -0.05 0.00 0.35 0.00 0.00 41.96 41.59 2kha s TYR 84 CO 0.18 -0.17 0.06 0.54 -1.34 0.00 0.00 175.55 174.82 2kha s VAL 85 N 0.98 2.93 -0.21 3.14 0.11 0.49 0.20 120.40 128.03 2kha s VAL 85 Ca -0.10 -1.85 -0.04 0.00 -2.93 0.00 0.00 61.98 57.06 2kha s VAL 85 Cb -0.14 -2.87 0.07 0.00 -1.53 0.00 0.00 36.38 31.91 2kha s VAL 85 CO -0.01 -0.22 0.08 -0.63 -3.33 0.00 0.00 175.10 170.99 2kha s ILE 86 N -2.45 0.20 -0.98 7.04 -1.09 0.27 -2.06 121.20 122.13 2kha s ILE 86 Ca 0.35 -0.51 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 2kha s ILE 86 Cb -0.02 -0.89 0.33 0.00 -1.58 0.00 0.00 42.46 40.29 2kha s ILE 86 CO 0.21 -0.38 1.89 1.17 -1.23 0.00 0.00 174.94 176.60 2kha n LYS 87 N 5.16 4.68 -2.37 2.79 4.81 -0.95 0.35 118.16 132.63 2kha n LYS 87 Ca -0.07 -4.33 -0.00 0.00 -0.87 0.00 0.00 58.31 53.03 2kha n LYS 87 Cb 0.46 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.10 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 -5.18 -0.94 3.14 2.03 -1.26 -3.90 116.55 110.25 2kha n ASP 88 Ca 0.49 -0.05 -0.10 0.00 0.52 0.00 0.00 54.79 55.65 2kha n ASP 88 Cb 0.25 -3.38 -0.02 0.00 -0.72 0.00 0.00 41.12 37.25 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 -1.42 0.51 2.37 0.27 0.00 -1.26 -4.95 105.19 100.71 2kha n GLY 89 Ca -0.00 -0.53 -0.21 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 -0.73 -4.92 0.99 4.77 -1.25 -5.13 117.00 109.46 2kha n LEU 90 Ca -0.11 -4.27 -0.26 0.00 -0.03 0.00 0.00 56.01 51.34 2kha n LEU 90 Cb 0.46 0.65 0.00 0.00 -2.33 0.00 0.00 43.42 42.20 2kha n LEU 90 CO 0.14 1.99 0.38 -0.83 -1.33 0.00 0.00 177.39 177.74 2kha s GLY 91 N -0.72 1.48 -0.07 -0.72 0.00 -1.25 -2.24 107.32 103.81 2kha s GLY 91 Ca 0.34 -0.67 -0.18 0.00 0.00 0.00 0.00 44.72 44.21 2kha s GLY 91 CO -0.15 -0.51 0.41 -0.19 0.00 0.00 0.00 173.10 172.66 2kha s TYR 92 N -2.67 -0.36 0.11 1.90 2.02 -0.87 -4.94 117.35 112.54 2kha s TYR 92 Ca 0.47 0.72 0.09 0.00 -0.37 0.00 0.00 57.07 57.97 2kha s TYR 92 Cb -0.10 0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.59 2kha s TYR 92 CO 0.42 -0.37 -0.21 -0.98 -1.57 0.00 0.00 175.55 172.84 2kha s ARG 93 N -0.77 1.18 -0.95 -0.62 3.03 -1.25 -0.38 118.95 119.19 2kha s ARG 93 Ca -0.09 -1.21 -0.02 0.00 2.03 0.00 0.00 55.73 56.45 2kha s ARG 93 Cb -0.04 -1.45 0.28 0.00 -1.03 0.00 0.00 34.95 32.71 2kha s ARG 93 CO 0.04 0.33 1.17 0.94 -1.13 0.00 0.00 175.30 176.66 2kha n GLN 94 N 0.98 3.66 -1.80 3.89 7.27 0.24 -4.74 117.38 126.88 2kha n GLN 94 Ca -0.19 -4.57 -0.30 0.00 0.07 0.00 0.00 57.00 52.02 2kha n GLN 94 Cb 0.54 -2.44 0.17 0.00 2.41 0.00 0.00 30.24 30.92 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 -1.49 3.13 -1.74 1.69 -4.77 -1.26 -2.60 116.67 109.63 2kha s ASP 95 Ca 0.33 0.45 0.00 0.00 -3.30 0.00 0.00 52.55 50.03 2kha s ASP 95 Cb 0.05 -0.63 0.00 0.00 -1.09 0.00 0.00 42.92 41.25 2kha s ASP 95 CO 0.03 -2.74 0.00 -3.20 0.70 0.00 0.00 175.17 169.96 2kha n ASN 96 N -3.80 -5.48 -4.77 2.11 4.05 -1.16 -4.91 115.26 101.30 2kha n ASN 96 Ca 0.13 0.41 -0.30 0.00 0.45 0.00 0.00 54.58 55.26 2kha n ASN 96 Cb 0.60 -4.42 0.10 0.00 1.23 0.00 0.00 39.78 37.29 2kha n ASN 96 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2kha s GLY 97 N -2.65 1.65 0.05 8.20 0.00 -0.22 -4.90 107.32 109.45 2kha s GLY 97 Ca 0.00 0.05 -0.19 0.00 0.00 0.00 0.00 44.72 44.57 2kha s GLY 97 CO 0.00 0.44 0.45 1.85 0.00 0.00 0.00 173.10 175.85 2kha s GLU 98 N -4.98 0.98 0.20 2.90 2.12 -1.26 -2.40 118.70 116.25 2kha s GLU 98 Ca 0.61 -0.35 -0.17 0.00 0.36 0.00 0.00 54.97 55.42 2kha s GLU 98 Cb -0.16 0.44 0.02 0.00 0.26 0.00 0.00 34.13 34.69 2kha s GLU 98 CO 0.56 -0.35 0.51 -0.46 -0.54 0.00 0.00 175.26 174.98 2kha s TRP 99 N -2.60 -0.06 0.25 5.30 -0.00 -0.98 -4.95 118.94 115.91 2kha s TRP 99 Ca -0.04 -0.29 0.08 0.00 -0.00 0.00 0.00 56.10 55.84 2kha s TRP 99 Cb -0.01 0.36 -0.04 0.00 -0.00 0.00 0.00 33.47 33.78 2kha s TRP 99 CO -0.03 -0.92 0.12 -0.08 -0.00 0.00 0.00 176.95 176.04 2kha s THR 100 N -3.89 4.08 0.00 5.86 -1.32 -1.26 0.10 115.64 119.21 2kha s THR 100 Ca 0.11 -1.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 2kha s THR 100 Cb -0.01 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 2kha s THR 100 CO -0.02 -0.35 0.40 0.52 -2.21 0.00 0.00 174.62 172.96 2kha n VAL 101 N -1.03 0.00 0.34 5.08 0.31 -0.41 -4.66 118.33 117.96 2kha n VAL 101 Ca -0.07 -0.46 0.05 0.00 -0.01 0.00 0.00 64.34 63.84 2kha n VAL 101 Cb 0.58 1.06 0.21 0.00 -0.91 0.00 0.00 33.84 34.78 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 -0.13 1.31 -4.16 2.52 -1.04 -1.26 -3.74 114.28 107.78 2kha n THR 102 Ca 0.00 0.33 -0.17 0.00 -2.04 0.00 0.00 64.05 62.16 2kha n THR 102 Cb 0.02 -1.16 -0.12 0.00 -1.82 0.00 0.00 70.33 67.25 2kha n THR 102 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2kha s GLU 103 N -2.99 0.79 0.02 -2.82 -1.05 -1.26 -4.77 118.70 106.62 2kha s GLU 103 Ca 0.05 -0.96 0.05 0.00 -0.15 0.00 0.00 54.97 53.96 2kha s GLU 103 Cb 0.06 -0.74 -0.02 0.00 -0.44 0.00 0.00 34.13 32.99 2kha s GLU 103 CO 0.18 0.16 -0.14 -0.06 0.95 0.00 0.00 175.26 176.35 2kha s PHE 104 N -1.41 1.27 0.31 4.83 0.40 -1.26 -3.96 117.98 118.16 2kha s PHE 104 Ca -0.02 -0.31 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 2kha s PHE 104 Cb -0.09 -0.78 -0.02 0.00 0.51 0.00 0.00 43.02 42.64 2kha s PHE 104 CO 0.02 0.02 0.45 0.14 0.70 0.00 0.00 175.22 176.55 2kha s VAL 105 N -0.64 4.67 0.36 -0.44 -7.23 0.37 0.14 120.40 117.62 2kha s VAL 105 Ca 0.03 -0.88 -0.13 0.00 -1.81 0.00 0.00 61.98 59.19 2kha s VAL 105 Cb -0.07 -3.65 -0.08 0.00 0.56 0.00 0.00 36.38 33.14 2kha s VAL 105 CO 0.01 -0.29 0.74 0.20 -0.31 0.00 0.00 175.10 175.45 2kha s ASN 106 N -4.08 6.65 0.54 4.85 0.01 0.98 -3.74 114.94 120.14 2kha s ASN 106 Ca 0.40 1.20 0.28 0.00 -0.71 0.00 0.00 52.86 54.02 2kha s ASN 106 Cb -0.09 -2.34 1.50 0.00 0.41 0.00 0.00 41.25 40.73 2kha s ASN 106 CO 0.31 -0.29 1.82 1.05 -1.51 0.00 0.00 177.10 178.49 2kha h GLU 107 N 1.82 0.00 -0.04 -0.60 4.11 -1.89 0.87 114.58 118.84 2kha h GLU 107 Ca -0.47 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.84 2kha h GLU 107 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2kha h GLU 107 CO 0.65 0.00 -0.52 0.22 0.07 0.00 0.00 179.01 179.43 2kha h ASP 108 N 0.00 0.13 0.00 3.06 1.82 -2.02 -3.47 116.42 115.95 2kha h ASP 108 Ca 0.00 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2kha h ASP 108 Cb 0.43 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.41 2kha h ASP 108 CO 0.00 0.63 0.00 0.61 -1.61 0.00 0.00 179.24 178.87 2kha n GLY 109 N 0.02 1.84 3.07 -0.78 0.00 0.30 -5.14 105.19 104.50 2kha n GLY 109 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.23 0.01 2.61 -4.23 -1.22 -4.87 115.64 106.16 2kha s THR 110 Ca 0.00 -1.61 -0.36 0.00 -1.18 0.00 0.00 61.69 58.54 2kha s THR 110 Cb 0.00 -1.23 -0.15 0.00 1.34 0.00 0.00 72.50 72.46 2kha s THR 110 CO 0.00 -0.87 1.59 -2.65 -0.54 0.00 0.00 174.62 172.15 2kha n PRO 111 N 0.45 1.65 -1.97 3.99 -0.02 -1.26 0.33 135.00 138.17 2kha n PRO 111 Ca -0.16 0.60 -0.28 0.00 -2.02 0.00 0.00 63.50 61.64 2kha n PRO 111 Cb 0.60 -2.33 0.03 0.00 -0.02 0.00 0.00 33.50 31.78 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 4.14 5.39 -3.83 3.55 0.00 0.37 -4.65 120.51 125.49 2kha n ALA 112 Ca 0.20 -3.86 -0.30 0.00 0.00 0.00 0.00 53.44 49.48 2kha n ALA 112 Cb 0.23 -0.76 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 2kha n ALA 112 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kha s ASP 113 N -3.07 4.21 -0.43 0.00 2.15 -1.22 -4.77 116.67 113.53 2kha s ASP 113 Ca 0.53 -1.74 0.04 0.00 0.43 0.00 0.00 52.55 51.81 2kha s ASP 113 Cb 0.43 -1.09 0.44 0.00 -0.30 0.00 0.00 42.92 42.39 2kha s ASP 113 CO -0.05 -0.39 1.35 1.07 -0.17 0.00 0.00 175.17 176.98 2kha n THR 114 N 4.67 2.72 -3.31 1.71 5.66 -1.26 -4.92 114.28 119.55 2kha n THR 114 Ca -0.01 -4.27 -0.16 0.00 -3.05 0.00 0.00 64.05 56.57 2kha n THR 114 Cb 0.42 -1.19 0.08 0.00 -1.55 0.00 0.00 70.33 68.09 2kha n THR 114 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2kha n SER 115 N -0.66 -3.88 -3.42 1.09 7.64 -1.26 -4.99 113.62 108.14 2kha n SER 115 Ca 0.46 -0.64 -0.27 0.00 1.01 0.00 0.00 58.87 59.43 2kha n SER 115 Cb 0.77 -5.04 -0.10 0.00 -1.01 0.00 0.00 64.21 58.84 2kha n SER 115 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kha n LEU 116 N -3.69 -0.30 -4.57 -3.43 4.32 -1.26 -5.10 117.00 102.98 2kha n LEU 116 Ca -0.19 -4.42 -0.43 0.00 -0.02 0.00 0.00 56.01 50.95 2kha n LEU 116 Cb 0.65 0.48 -0.05 0.00 -1.62 0.00 0.00 43.42 42.87 2kha n LEU 116 CO 0.58 1.86 0.60 -0.70 -1.22 0.00 0.00 177.39 178.51 2kha s GLU 117 N -0.03 3.63 0.00 3.23 2.12 -1.26 -5.10 118.70 121.28 2kha s GLU 117 Ca 0.33 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.83 2kha s GLU 117 Cb 0.04 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.57 2kha s GLU 117 CO -0.20 -0.97 0.30 -2.30 -0.54 0.00 0.00 175.26 171.55