#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 1.32 0.21 1.08 5.04 -1.26 -5.03 117.35 118.71 2kha s TYR 7 Ca 0.00 1.11 0.06 0.00 -2.44 0.00 0.00 57.07 55.80 2kha s TYR 7 Cb 0.00 -3.09 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 2kha s TYR 7 CO 0.00 -3.93 0.19 0.08 -1.34 0.00 0.00 175.55 170.55 2kha s VAL 8 N -2.48 4.58 0.29 3.14 1.01 -1.26 -4.91 120.40 120.77 2kha s VAL 8 Ca 0.68 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 2kha s VAL 8 Cb -0.24 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 2kha s VAL 8 CO 0.64 -0.25 1.28 0.54 0.00 0.00 0.00 175.10 177.32 2kha s VAL 9 N -1.96 2.95 1.06 2.92 0.11 -1.26 -5.01 120.40 119.21 2kha s VAL 9 Ca 0.32 0.90 -0.18 0.00 -2.93 0.00 0.00 61.98 60.10 2kha s VAL 9 Cb -0.09 -3.58 0.26 0.00 -1.53 0.00 0.00 36.38 31.45 2kha s VAL 9 CO 0.25 0.19 0.95 -2.65 -3.33 0.00 0.00 175.10 170.51 2kha n PRO 10 N 1.38 -2.82 -3.72 1.54 -0.02 -1.26 -4.86 135.00 125.23 2kha n PRO 10 Ca 0.02 -1.51 -0.37 0.00 -2.02 0.00 0.00 63.50 59.61 2kha n PRO 10 Cb 0.42 -1.41 -0.12 0.00 -0.02 0.00 0.00 33.50 32.38 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 -4.07 5.50 -0.49 2.55 0.15 -1.26 -4.71 113.70 111.37 2kha s SER 11 Ca 0.61 -0.11 -0.27 0.00 0.70 0.00 0.00 55.95 56.89 2kha s SER 11 Cb -0.06 -2.00 0.03 0.00 -1.71 0.00 0.00 66.02 62.28 2kha s SER 11 CO 0.47 -0.02 1.03 0.00 1.20 0.00 0.00 173.24 175.91 2kha s ALA 12 N 1.55 3.18 -0.10 5.45 0.00 -1.25 -3.88 121.76 126.71 2kha s ALA 12 Ca 0.06 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.09 2kha s ALA 12 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 2kha s ALA 12 CO 0.06 -2.22 0.55 0.15 0.00 0.00 0.00 175.76 174.30 2kha s LYS 13 N 4.13 4.37 0.19 0.00 -0.14 0.32 -4.86 119.74 123.75 2kha s LYS 13 Ca 0.41 0.60 0.10 0.00 -1.36 0.00 0.00 55.97 55.72 2kha s LYS 13 Cb -0.09 -3.44 -0.04 0.00 -1.68 0.00 0.00 37.83 32.58 2kha s LYS 13 CO 0.27 0.14 -0.22 -0.51 -0.76 0.00 0.00 175.35 174.27 2kha s LEU 14 N 0.65 2.44 -0.06 3.17 1.02 -1.26 -0.91 118.68 123.73 2kha s LEU 14 Ca 0.30 -0.87 -0.10 0.00 0.02 0.00 0.00 54.13 53.47 2kha s LEU 14 Cb -0.16 -1.03 0.02 0.00 0.02 0.00 0.00 46.19 45.04 2kha s LEU 14 CO 0.13 0.06 0.26 -1.61 0.02 0.00 0.00 176.35 175.20 2kha s GLU 15 N -2.74 0.44 -0.06 1.70 8.01 -0.61 -4.97 118.70 120.46 2kha s GLU 15 Ca 0.19 0.07 -0.23 0.00 0.01 0.00 0.00 54.97 55.01 2kha s GLU 15 Cb -0.07 0.20 -0.04 0.00 -4.31 0.00 0.00 34.13 29.91 2kha s GLU 15 CO 0.09 -0.09 0.68 0.00 0.01 0.00 0.00 175.26 175.95 2kha s ALA 16 N -0.55 3.36 -0.12 5.21 0.00 -1.25 -2.40 121.76 126.02 2kha s ALA 16 Ca -0.07 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 2kha s ALA 16 Cb -0.04 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 2kha s ALA 16 CO 0.02 -0.07 -0.05 0.42 0.00 0.00 0.00 175.76 176.08 2kha s ILE 17 N 0.67 3.83 -0.01 0.00 -1.09 -0.32 0.14 121.20 124.42 2kha s ILE 17 Ca 0.36 -0.40 -0.06 0.00 -2.23 0.00 0.00 60.65 58.32 2kha s ILE 17 Cb -0.18 -2.63 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 2kha s ILE 17 CO 0.18 0.54 0.24 -0.47 -1.23 0.00 0.00 174.94 174.20 2kha s TYR 18 N -0.19 3.58 -1.43 3.97 5.04 -1.26 -1.49 117.35 125.58 2kha s TYR 18 Ca 0.03 0.53 0.26 0.00 -2.44 0.00 0.00 57.07 55.45 2kha s TYR 18 Cb -0.13 -1.96 0.63 0.00 0.35 0.00 0.00 41.96 40.85 2kha s TYR 18 CO 0.03 0.64 1.49 -0.35 -1.34 0.00 0.00 175.55 176.01 2kha n PRO 19 N 1.23 0.48 -3.20 4.97 -0.04 -1.26 -4.80 135.00 132.37 2kha n PRO 19 Ca -0.12 -0.28 0.01 0.00 -0.04 0.00 0.00 63.50 63.06 2kha n PRO 19 Cb 0.53 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.72 0.73 0.01 0.54 1.70 -1.13 -4.75 118.95 113.33 2kha s ARG 20 Ca 0.18 -0.06 -0.29 0.00 -0.47 0.00 0.00 55.73 55.10 2kha s ARG 20 Cb 0.18 0.08 0.10 0.00 -0.57 0.00 0.00 34.95 34.75 2kha s ARG 20 CO 0.60 -1.15 1.05 0.20 -1.08 0.00 0.00 175.30 174.92 2kha s GLY 21 N 2.12 -0.35 -0.10 3.88 0.00 -0.55 -3.83 107.32 108.49 2kha s GLY 21 Ca 0.14 0.75 -0.08 0.00 0.00 0.00 0.00 44.72 45.54 2kha s GLY 21 CO -0.13 0.21 0.25 -2.27 0.00 0.00 0.00 173.10 171.17 2kha s LEU 22 N -2.69 0.86 -0.16 0.66 1.98 0.25 -1.17 118.68 118.41 2kha s LEU 22 Ca 0.10 0.51 0.01 0.00 -2.89 0.00 0.00 54.13 51.86 2kha s LEU 22 Cb 0.00 0.82 0.02 0.00 0.66 0.00 0.00 46.19 47.69 2kha s LEU 22 CO -0.04 -0.11 -0.20 -0.60 -1.89 0.00 0.00 176.35 173.52 2kha s ARG 23 N 0.47 2.87 0.15 1.98 3.52 -1.01 0.88 118.95 127.81 2kha s ARG 23 Ca -0.03 -0.79 0.10 0.00 -0.13 0.00 0.00 55.73 54.89 2kha s ARG 23 Cb -0.04 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 2kha s ARG 23 CO -0.02 -0.14 -0.24 0.08 -0.81 0.00 0.00 175.30 174.16 2kha s VAL 24 N 1.15 2.16 -0.12 7.11 1.01 -0.52 -1.58 120.40 129.61 2kha s VAL 24 Ca 0.01 -1.83 -0.21 0.00 0.00 0.00 0.00 61.98 59.95 2kha s VAL 24 Cb -0.14 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.34 2kha s VAL 24 CO -0.09 -0.04 0.52 -0.44 0.00 0.00 0.00 175.10 175.06 2kha s SER 25 N -2.29 -0.50 -0.03 3.32 0.01 -0.09 -1.04 113.70 113.08 2kha s SER 25 Ca 0.15 0.76 -0.01 0.00 1.31 0.00 0.00 55.95 58.16 2kha s SER 25 Cb -0.09 0.78 0.03 0.00 0.21 0.00 0.00 66.02 66.95 2kha s SER 25 CO 0.07 -0.36 0.05 0.27 0.41 0.00 0.00 173.24 173.69 2kha s ILE 26 N -0.47 -0.08 -0.42 1.44 -4.36 -1.01 0.12 121.20 116.43 2kha s ILE 26 Ca -0.06 0.26 -0.31 0.00 -0.26 0.00 0.00 60.65 60.28 2kha s ILE 26 Cb -0.03 -0.12 -0.10 0.00 1.25 0.00 0.00 42.46 43.46 2kha s ILE 26 CO 0.04 0.11 2.30 -2.65 0.24 0.00 0.00 174.94 174.98 2kha n PRO 27 N 4.46 1.16 -2.58 0.37 -0.02 -1.25 -2.21 135.00 134.92 2kha n PRO 27 Ca -0.22 0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.14 2kha n PRO 27 Cb 0.50 -2.77 -0.05 0.00 -0.02 0.00 0.00 33.50 31.17 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 8.86 6.95 -0.32 2.55 2.15 -0.28 -4.54 116.67 132.03 2kha s ASP 28 Ca 1.08 2.03 0.15 0.00 0.43 0.00 0.00 52.55 56.24 2kha s ASP 28 Cb -0.62 -2.59 0.47 0.00 -0.30 0.00 0.00 42.92 39.88 2kha s ASP 28 CO 0.41 -0.36 1.08 0.47 -0.17 0.00 0.00 175.17 176.59 2kha n ASP 29 N 0.23 2.73 -1.48 -0.34 9.92 -1.26 -4.72 116.55 121.63 2kha n ASP 29 Ca 0.04 -2.87 -0.08 0.00 -0.53 0.00 0.00 54.79 51.34 2kha n ASP 29 Cb 0.49 -0.47 0.02 0.00 -0.64 0.00 0.00 41.12 40.53 2kha n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kha n GLY 30 N -0.43 0.41 0.35 0.44 0.00 -1.26 -5.05 105.19 99.65 2kha n GLY 30 Ca 0.20 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.42 -3.89 0.00 1.61 3.72 -1.26 -4.76 117.46 109.46 2kha n PHE 31 Ca -0.01 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2kha n PHE 31 Cb 0.52 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 -3.06 2.27 -3.83 4.37 2.88 1.17 -4.89 113.62 112.53 2kha n SER 32 Ca 0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.42 2kha n SER 32 Cb 0.05 0.24 -0.15 0.00 -0.75 0.00 0.00 64.21 63.61 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 -2.29 1.57 -0.29 2.46 2.96 -1.05 -4.46 118.68 117.57 2kha s LEU 33 Ca 0.00 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2kha s LEU 33 Cb 0.00 0.03 0.08 0.00 0.50 0.00 0.00 46.19 46.80 2kha s LEU 33 CO 0.00 -0.06 0.01 0.12 -1.32 0.00 0.00 176.35 175.10 2kha s PHE 34 N 0.44 2.95 -0.22 5.38 5.36 0.69 0.11 117.98 132.69 2kha s PHE 34 Ca -0.04 -2.34 -0.11 0.00 -0.96 0.00 0.00 56.93 53.49 2kha s PHE 34 Cb -0.05 -2.20 -0.05 0.00 -0.34 0.00 0.00 43.02 40.38 2kha s PHE 34 CO -0.01 -0.88 0.18 0.00 -1.46 0.00 0.00 175.22 173.05 2kha s ALA 35 N 1.20 3.63 -0.18 11.12 0.00 0.52 -0.49 121.76 137.55 2kha s ALA 35 Ca 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2kha s ALA 35 Cb -0.19 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 2kha s ALA 35 CO -0.10 -0.09 -0.09 0.12 0.00 0.00 0.00 175.76 175.59 2kha s PHE 36 N 0.86 2.89 -0.18 0.00 5.36 -0.96 0.12 117.98 126.07 2kha s PHE 36 Ca 0.09 -0.88 0.00 0.00 -0.96 0.00 0.00 56.93 55.18 2kha s PHE 36 Cb -0.13 -1.98 0.04 0.00 -0.34 0.00 0.00 43.02 40.61 2kha s PHE 36 CO 0.03 -0.43 -0.08 -1.01 -1.46 0.00 0.00 175.22 172.27 2kha s HIS 37 N 1.00 2.00 -0.15 10.12 3.76 -0.93 -2.27 115.29 128.81 2kha s HIS 37 Ca -0.01 -1.27 -0.14 0.00 -0.15 0.00 0.00 55.06 53.49 2kha s HIS 37 Cb -0.15 -1.45 0.04 0.00 1.11 0.00 0.00 32.58 32.13 2kha s HIS 37 CO -0.01 -0.66 0.40 0.20 -0.85 0.00 0.00 174.74 173.82 2kha s GLY 38 N 1.54 -0.30 -0.11 -2.22 0.00 -0.73 -0.78 107.32 104.71 2kha s GLY 38 Ca 0.00 1.17 0.03 0.00 0.00 0.00 0.00 44.72 45.92 2kha s GLY 38 CO -0.08 1.05 -0.20 1.25 0.00 0.00 0.00 173.10 175.12 2kha s LYS 39 N 0.32 2.69 0.05 2.90 2.20 0.14 0.20 119.74 128.25 2kha s LYS 39 Ca -0.01 -0.74 -0.16 0.00 -0.36 0.00 0.00 55.97 54.70 2kha s LYS 39 Cb -0.03 -2.16 -0.06 0.00 -1.51 0.00 0.00 37.83 34.06 2kha s LYS 39 CO -0.01 0.03 0.48 -0.48 -0.36 0.00 0.00 175.35 175.01 2kha s LEU 40 N 0.72 4.46 -1.10 5.43 2.34 -1.26 -1.79 118.68 127.48 2kha s LEU 40 Ca -0.11 1.05 -0.07 0.00 0.06 0.00 0.00 54.13 55.07 2kha s LEU 40 Cb -0.16 -2.83 0.01 0.00 -0.56 0.00 0.00 46.19 42.65 2kha s LEU 40 CO 0.02 0.26 0.96 -3.20 -1.06 0.00 0.00 176.35 173.32 2kha n ASN 41 N 1.53 -5.37 -3.15 1.48 5.15 0.19 -4.95 115.26 110.14 2kha n ASN 41 Ca -0.11 -0.44 0.06 0.00 -0.60 0.00 0.00 54.58 53.48 2kha n ASN 41 Cb 0.52 -4.20 -0.02 0.00 -0.53 0.00 0.00 39.78 35.55 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 -6.01 0.09 0.29 1.20 2.12 -1.26 -5.03 118.70 110.10 2kha s GLU 42 Ca 0.45 0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.90 2kha s GLU 42 Cb -0.20 0.08 0.06 0.00 0.26 0.00 0.00 34.13 34.33 2kha s GLU 42 CO 0.59 -0.10 0.13 0.39 -0.54 0.00 0.00 175.26 175.74 2kha n GLU 43 N 5.47 -0.59 -5.22 4.30 1.02 -1.26 -4.59 120.64 119.76 2kha n GLU 43 Ca -0.08 -0.22 -0.32 0.00 -0.02 0.00 0.00 57.16 56.52 2kha n GLU 43 Cb 0.55 -0.42 -0.16 0.00 -0.02 0.00 0.00 31.44 31.38 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 -2.19 2.58 -0.43 3.49 -1.94 -1.26 -4.95 119.30 114.60 2kha s MET 44 Ca 0.10 -0.88 0.08 0.00 -1.71 0.00 0.00 55.69 53.28 2kha s MET 44 Cb -0.02 -2.19 0.30 0.00 2.01 0.00 0.00 34.83 34.92 2kha s MET 44 CO 0.09 0.39 0.85 -3.47 -0.01 0.00 0.00 175.02 172.86 2kha n ASP 45 N 2.93 -1.11 0.00 3.03 -0.08 -1.26 -5.06 116.55 115.00 2kha n ASP 45 Ca -0.17 -3.23 0.00 0.00 -1.51 0.00 0.00 54.79 49.87 2kha n ASP 45 Cb 0.52 0.72 0.00 0.00 2.34 0.00 0.00 41.12 44.70 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 0.83 3.26 3.51 0.27 0.00 -1.26 -4.93 105.19 106.86 2kha n GLY 46 Ca 0.15 -1.32 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.76 -4.51 0.99 4.77 -1.26 -4.86 117.00 111.37 2kha n LEU 47 Ca 0.00 -0.59 -0.27 0.00 -0.03 0.00 0.00 56.01 55.12 2kha n LEU 47 Cb 0.00 -0.75 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 2kha n LEU 47 CO 0.00 -1.52 -0.46 -1.61 -1.33 0.00 0.00 177.39 172.47 2kha s GLU 48 N 7.51 1.83 0.63 3.23 2.02 -1.26 -5.01 118.70 127.65 2kha s GLU 48 Ca 1.27 -1.36 0.32 0.00 0.02 0.00 0.00 54.97 55.21 2kha s GLU 48 Cb -0.79 -2.03 1.77 0.00 0.10 0.00 0.00 34.13 33.18 2kha s GLU 48 CO 0.49 0.42 2.07 0.00 0.02 0.00 0.00 175.26 178.27 2kha h ALA 49 N 3.08 1.55 -0.58 5.21 0.00 -1.98 -3.45 119.26 123.09 2kha h ALA 49 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kha h ALA 49 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kha h ALA 49 CO 0.51 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2kha n GLY 50 N -1.30 1.43 1.15 0.00 0.00 -1.26 -4.24 105.19 100.97 2kha n GLY 50 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2kha n GLY 50 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kha n HIS 51 N 0.00 0.00 -2.16 1.61 -0.00 0.53 -4.75 115.22 110.45 2kha n HIS 51 Ca 0.00 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.86 2kha n HIS 51 Cb 0.00 0.24 -0.04 0.00 -0.12 0.00 0.00 29.99 30.06 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 -0.68 1.92 -0.51 1.57 0.51 0.22 -4.77 118.94 117.19 2kha s TRP 52 Ca 0.00 0.38 0.03 0.00 -2.12 0.00 0.00 56.10 54.39 2kha s TRP 52 Cb 0.00 -4.20 0.13 0.00 -0.81 0.00 0.00 33.47 28.60 2kha s TRP 52 CO 0.00 -1.92 0.26 0.00 -0.51 0.00 0.00 176.95 174.79 2kha s ALA 53 N 8.78 3.30 -0.13 0.98 0.00 -1.21 -1.77 121.76 131.71 2kha s ALA 53 Ca 0.63 -3.17 -0.09 0.00 0.00 0.00 0.00 51.96 49.34 2kha s ALA 53 Cb -0.07 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.87 2kha s ALA 53 CO 0.03 -1.99 0.33 0.50 0.00 0.00 0.00 175.76 174.64 2kha s ARG 54 N -0.08 0.33 0.11 0.00 6.06 -0.96 -5.01 118.95 119.40 2kha s ARG 54 Ca 0.16 0.60 -0.15 0.00 -2.50 0.00 0.00 55.73 53.84 2kha s ARG 54 Cb -0.24 0.01 -0.07 0.00 0.06 0.00 0.00 34.95 34.72 2kha s ARG 54 CO -0.02 -0.12 0.52 0.16 -2.50 0.00 0.00 175.30 173.34 2kha s ASP 55 N 0.96 6.86 0.02 -2.12 1.47 -1.26 -2.26 116.67 120.33 2kha s ASP 55 Ca -0.06 1.08 0.06 0.00 1.18 0.00 0.00 52.55 54.80 2kha s ASP 55 Cb -0.07 -2.29 -0.02 0.00 -0.34 0.00 0.00 42.92 40.20 2kha s ASP 55 CO -0.07 0.17 -0.18 -0.63 0.68 0.00 0.00 175.17 175.14 2kha s ILE 56 N -1.34 1.39 -0.07 2.11 1.01 0.36 -4.97 121.20 119.69 2kha s ILE 56 Ca 0.34 -0.94 0.21 0.00 0.00 0.00 0.00 60.65 60.27 2kha s ILE 56 Cb -0.16 -1.20 0.43 0.00 0.01 0.00 0.00 42.46 41.54 2kha s ILE 56 CO 0.18 0.24 1.18 0.41 0.00 0.00 0.00 174.94 176.96 2kha n THR 57 N 2.23 0.71 -3.29 2.92 -1.04 -1.26 -0.22 114.28 114.32 2kha n THR 57 Ca -0.16 -1.76 -0.11 0.00 -2.04 0.00 0.00 64.05 59.97 2kha n THR 57 Cb 0.54 0.64 -0.05 0.00 -1.82 0.00 0.00 70.33 69.63 2kha n THR 57 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2kha s LYS 58 N -1.13 0.72 1.12 -2.82 -2.85 -1.26 -4.97 119.74 108.55 2kha s LYS 58 Ca 0.35 -0.75 -0.18 0.00 -1.00 0.00 0.00 55.97 54.39 2kha s LYS 58 Cb 0.38 -0.48 0.13 0.00 -2.06 0.00 0.00 37.83 35.80 2kha s LYS 58 CO -0.13 -1.21 0.07 -2.30 0.10 0.00 0.00 175.35 171.88 2kha n PRO 59 N 4.18 -1.87 -1.29 1.78 -0.02 -1.26 -4.76 135.00 131.76 2kha n PRO 59 Ca 0.12 -0.54 -0.19 0.00 -2.02 0.00 0.00 63.50 60.88 2kha n PRO 59 Cb 0.49 -1.66 0.12 0.00 -0.02 0.00 0.00 33.50 32.43 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 -2.14 2.54 -1.35 -0.52 0.00 0.40 -4.87 118.16 112.21 2kha n LYS 60 Ca 0.02 -3.45 0.00 0.00 0.00 0.00 0.00 58.31 54.87 2kha n LYS 60 Cb 0.58 -2.09 0.00 0.00 0.00 0.00 0.00 35.03 33.52 2kha n LYS 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2kha n GLU 61 N -0.97 0.00 -0.34 1.64 2.13 -1.26 -4.36 120.64 117.48 2kha n GLU 61 Ca 0.46 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.73 2kha n GLU 61 Cb 1.00 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 -0.10 1.31 3.53 8.31 0.00 -1.26 -4.90 105.19 112.08 2kha n GLY 62 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.17 0.62 0.55 1.61 0.52 -1.26 -1.13 118.95 119.69 2kha s ARG 63 Ca 0.00 1.08 -0.16 0.00 -0.52 0.00 0.00 55.73 56.13 2kha s ARG 63 Cb 0.00 0.11 -0.06 0.00 0.52 0.00 0.00 34.95 35.52 2kha s ARG 63 CO 0.00 -0.15 1.01 -1.58 0.02 0.00 0.00 175.30 174.60 2kha s TRP 64 N 1.49 3.31 -0.09 -0.53 0.52 -0.94 0.15 118.94 122.85 2kha s TRP 64 Ca -0.09 1.47 -0.01 0.00 0.02 0.00 0.00 56.10 57.49 2kha s TRP 64 Cb -0.06 -2.86 0.03 0.00 -1.15 0.00 0.00 33.47 29.44 2kha s TRP 64 CO -0.17 -0.62 -0.00 0.99 0.02 0.00 0.00 176.95 177.17 2kha s THR 65 N -2.60 0.46 -0.48 2.01 2.01 -1.26 -2.42 115.64 113.37 2kha s THR 65 Ca 0.60 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.62 2kha s THR 65 Cb -0.12 -0.66 0.12 0.00 0.01 0.00 0.00 72.50 71.86 2kha s THR 65 CO 0.34 0.20 0.22 0.12 -0.69 0.00 0.00 174.62 174.82 2kha s PHE 66 N 1.93 3.18 0.01 4.92 5.36 -0.20 -4.96 117.98 128.21 2kha s PHE 66 Ca 0.04 -3.08 0.00 0.00 -0.96 0.00 0.00 56.93 52.93 2kha s PHE 66 Cb -0.13 -2.76 -0.04 0.00 -0.34 0.00 0.00 43.02 39.75 2kha s PHE 66 CO -0.06 -0.78 0.08 -0.98 -1.46 0.00 0.00 175.22 172.02 2kha s ARG 67 N -0.03 3.04 -0.21 10.12 1.70 -1.26 -1.44 118.95 130.86 2kha s ARG 67 Ca 0.16 -0.52 -0.04 0.00 -0.47 0.00 0.00 55.73 54.86 2kha s ARG 67 Cb -0.25 -2.84 0.07 0.00 -0.57 0.00 0.00 34.95 31.37 2kha s ARG 67 CO -0.02 0.63 0.09 0.34 -1.08 0.00 0.00 175.30 175.26 2kha s ASP 68 N -1.85 2.89 -0.13 -2.89 -1.08 0.25 -4.95 116.67 108.91 2kha s ASP 68 Ca 0.24 -0.90 0.05 0.00 -0.52 0.00 0.00 52.55 51.42 2kha s ASP 68 Cb -0.12 -0.40 0.37 0.00 -1.46 0.00 0.00 42.92 41.30 2kha s ASP 68 CO 0.15 -0.37 1.16 -1.14 0.52 0.00 0.00 175.17 175.50 2kha n ARG 69 N 5.18 2.53 -2.62 4.34 0.63 -1.26 0.86 116.66 126.32 2kha n ARG 69 Ca -0.07 -1.45 -0.09 0.00 -0.92 0.00 0.00 57.85 55.32 2kha n ARG 69 Cb 0.46 -1.79 0.04 0.00 0.45 0.00 0.00 32.46 31.62 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 0.16 2.42 -4.15 6.15 3.02 -1.25 -4.57 115.26 117.03 2kha n ASN 70 Ca 0.16 -2.65 -0.33 0.00 -0.03 0.00 0.00 54.58 51.73 2kha n ASN 70 Cb 0.78 -0.47 -0.16 0.00 -0.61 0.00 0.00 39.78 39.32 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 -3.57 2.27 -1.17 5.41 0.00 -1.26 -5.02 121.76 118.42 2kha s ALA 71 Ca 0.33 -1.13 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 2kha s ALA 71 Cb 0.38 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2kha s ALA 71 CO -0.02 -0.14 1.91 1.17 0.00 0.00 0.00 175.76 178.68 2kha n LYS 72 N 4.27 2.17 -3.80 0.00 4.81 -1.26 -3.68 118.16 120.67 2kha n LYS 72 Ca -0.20 -2.59 -0.36 0.00 -0.87 0.00 0.00 58.31 54.29 2kha n LYS 72 Cb 0.51 -3.45 -0.06 0.00 0.02 0.00 0.00 35.03 32.05 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 6.16 4.39 0.15 3.14 1.43 -1.26 -5.11 118.68 127.58 2kha s LEU 73 Ca 0.60 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 54.29 2kha s LEU 73 Cb 0.05 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 2kha s LEU 73 CO 0.09 0.33 -0.12 -1.59 0.23 0.00 0.00 176.35 175.29 2kha s LYS 74 N -1.41 1.10 0.18 1.70 0.00 -1.26 -4.86 119.74 115.19 2kha s LYS 74 Ca 0.22 -1.42 -0.30 0.00 0.00 0.00 0.00 55.97 54.46 2kha s LYS 74 Cb -0.13 -0.77 -0.09 0.00 0.00 0.00 0.00 37.83 36.85 2kha s LYS 74 CO 0.11 0.11 1.35 -1.17 0.00 0.00 0.00 175.35 175.76 2kha s LEU 75 N -3.03 4.40 0.00 2.77 0.20 -1.25 -2.86 118.68 118.91 2kha s LEU 75 Ca 0.16 2.42 0.00 0.00 0.69 0.00 0.00 54.13 57.40 2kha s LEU 75 Cb 0.00 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.16 2kha s LEU 75 CO 0.02 -0.58 0.00 0.61 -0.29 0.00 0.00 176.35 176.11 2kha n GLY 76 N 2.63 2.41 3.56 7.98 0.00 -1.23 -4.85 105.19 115.68 2kha n GLY 76 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -0.80 -4.32 1.61 -0.08 -1.14 -4.74 116.55 107.09 2kha n ASP 77 Ca 0.00 0.13 -0.22 0.00 -1.51 0.00 0.00 54.79 53.18 2kha n ASP 77 Cb 0.00 -1.35 -0.12 0.00 2.34 0.00 0.00 41.12 41.99 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 -4.46 1.22 -0.00 -0.67 2.47 -1.26 -1.78 119.74 115.27 2kha s LYS 78 Ca 0.67 -1.33 0.04 0.00 -1.56 0.00 0.00 55.97 53.80 2kha s LYS 78 Cb -0.24 -1.34 -0.03 0.00 -1.46 0.00 0.00 37.83 34.76 2kha s LYS 78 CO 0.62 0.29 -0.12 0.42 0.16 0.00 0.00 175.35 176.71 2kha s ILE 79 N -1.77 3.22 -0.08 5.43 1.09 0.21 0.53 121.20 129.83 2kha s ILE 79 Ca 0.13 -0.87 -0.03 0.00 -1.10 0.00 0.00 60.65 58.77 2kha s ILE 79 Cb -0.07 -2.35 0.04 0.00 -1.06 0.00 0.00 42.46 39.03 2kha s ILE 79 CO 0.06 0.44 0.17 -0.31 -0.10 0.00 0.00 174.94 175.21 2kha s TYR 80 N -0.89 -0.22 0.17 3.97 2.02 -0.74 -1.76 117.35 119.90 2kha s TYR 80 Ca 0.15 0.61 -0.07 0.00 -0.37 0.00 0.00 57.07 57.39 2kha s TYR 80 Cb -0.11 -0.12 0.03 0.00 -0.40 0.00 0.00 41.96 41.36 2kha s TYR 80 CO 0.05 -0.23 0.37 1.97 -1.57 0.00 0.00 175.55 176.14 2kha n PHE 81 N 4.70 -1.54 -3.69 2.71 -1.74 -0.90 0.25 117.46 117.24 2kha n PHE 81 Ca -0.17 -0.81 -0.10 0.00 -0.56 0.00 0.00 57.45 55.80 2kha n PHE 81 Cb 0.51 0.41 -0.11 0.00 1.52 0.00 0.00 39.48 41.81 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 -5.68 -0.61 0.26 2.97 1.48 0.04 -1.44 118.94 115.97 2kha s TRP 82 Ca 0.08 1.30 0.05 0.00 -1.06 0.00 0.00 56.10 56.47 2kha s TRP 82 Cb -0.02 0.27 -0.03 0.00 -1.16 0.00 0.00 33.47 32.53 2kha s TRP 82 CO 0.05 -0.35 0.39 0.95 -4.06 0.00 0.00 176.95 173.93 2kha s THR 83 N 1.42 5.03 -0.03 0.66 -4.23 -1.07 -2.20 115.64 115.23 2kha s THR 83 Ca -0.09 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 2kha s THR 83 Cb -0.08 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 69.99 2kha s THR 83 CO -0.13 -0.30 0.06 -0.47 -0.54 0.00 0.00 174.62 173.24 2kha s TYR 84 N -2.03 -0.06 0.19 3.99 5.04 0.32 -1.51 117.35 123.30 2kha s TYR 84 Ca 0.36 0.18 0.04 0.00 -2.44 0.00 0.00 57.07 55.22 2kha s TYR 84 Cb -0.09 -0.02 -0.05 0.00 0.35 0.00 0.00 41.96 42.15 2kha s TYR 84 CO 0.30 -0.05 -0.06 0.54 -1.34 0.00 0.00 175.55 174.93 2kha s VAL 85 N 0.26 1.16 -0.24 3.14 0.11 -0.15 0.19 120.40 124.88 2kha s VAL 85 Ca -0.02 -2.06 -0.03 0.00 -2.93 0.00 0.00 61.98 56.94 2kha s VAL 85 Cb -0.03 -2.08 0.08 0.00 -1.53 0.00 0.00 36.38 32.82 2kha s VAL 85 CO -0.01 -0.55 0.07 -0.63 -3.33 0.00 0.00 175.10 170.65 2kha s ILE 86 N -3.34 0.47 -1.04 7.04 -1.09 0.31 -2.17 121.20 121.39 2kha s ILE 86 Ca 0.22 -0.78 -0.03 0.00 -2.23 0.00 0.00 60.65 57.83 2kha s ILE 86 Cb 0.04 -1.16 0.31 0.00 -1.58 0.00 0.00 42.46 40.07 2kha s ILE 86 CO 0.05 -0.42 1.56 1.17 -1.23 0.00 0.00 174.94 176.06 2kha n LYS 87 N 5.05 4.70 -2.94 2.79 0.00 -1.01 0.37 118.16 127.11 2kha n LYS 87 Ca -0.07 -4.60 -0.10 0.00 0.00 0.00 0.00 58.31 53.54 2kha n LYS 87 Cb 0.45 -2.48 0.05 0.00 0.00 0.00 0.00 35.03 33.04 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 0.85 -6.11 -0.70 3.14 2.03 -1.26 -3.49 116.55 111.00 2kha n ASP 88 Ca 0.33 -0.49 -0.06 0.00 0.52 0.00 0.00 54.79 55.08 2kha n ASP 88 Cb 0.31 -4.50 -0.01 0.00 -0.72 0.00 0.00 41.12 36.20 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 -1.35 0.18 2.37 0.27 0.00 -1.26 -4.98 105.19 100.42 2kha n GLY 89 Ca -0.05 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.90 -0.69 -4.87 0.99 4.77 -1.23 -5.13 117.00 109.94 2kha n LEU 90 Ca -0.07 -4.29 -0.31 0.00 -0.03 0.00 0.00 56.01 51.31 2kha n LEU 90 Cb 0.52 0.64 0.01 0.00 -2.33 0.00 0.00 43.42 42.26 2kha n LEU 90 CO 0.09 1.98 0.69 -0.83 -1.33 0.00 0.00 177.39 177.99 2kha s GLY 91 N -0.66 1.66 -0.11 -0.72 0.00 -1.24 -2.39 107.32 103.86 2kha s GLY 91 Ca 0.34 -0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.76 2kha s GLY 91 CO -0.15 0.14 0.43 -0.19 0.00 0.00 0.00 173.10 173.33 2kha s TYR 92 N -3.10 -0.42 -0.01 1.90 2.02 -0.92 -4.94 117.35 111.88 2kha s TYR 92 Ca 0.54 0.91 0.05 0.00 -0.37 0.00 0.00 57.07 58.20 2kha s TYR 92 Cb -0.11 0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.61 2kha s TYR 92 CO 0.52 -0.33 -0.15 -0.98 -1.57 0.00 0.00 175.55 173.04 2kha s ARG 93 N -0.40 1.21 -1.13 -0.62 3.03 -1.25 -0.97 118.95 118.82 2kha s ARG 93 Ca -0.05 -0.54 -0.09 0.00 2.03 0.00 0.00 55.73 57.08 2kha s ARG 93 Cb -0.03 -1.17 0.26 0.00 -1.03 0.00 0.00 34.95 32.98 2kha s ARG 93 CO 0.03 0.32 1.28 0.94 -1.13 0.00 0.00 175.30 176.74 2kha n GLN 94 N 2.69 3.72 -1.97 3.89 7.27 -0.57 -4.80 117.38 127.61 2kha n GLN 94 Ca -0.14 -4.34 -0.29 0.00 0.07 0.00 0.00 57.00 52.29 2kha n GLN 94 Cb 0.55 -2.63 0.16 0.00 2.41 0.00 0.00 30.24 30.72 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 0.88 3.49 -1.80 1.69 -4.77 -1.26 -2.60 116.67 112.29 2kha s ASP 95 Ca 0.33 0.33 0.00 0.00 -3.30 0.00 0.00 52.55 49.92 2kha s ASP 95 Cb -0.05 -0.49 0.00 0.00 -1.09 0.00 0.00 42.92 41.29 2kha s ASP 95 CO -0.03 -2.50 0.00 -3.20 0.70 0.00 0.00 175.17 170.14 2kha n ASN 96 N -3.61 -5.54 -4.84 2.11 2.85 -1.18 -4.92 115.26 100.14 2kha n ASN 96 Ca 0.14 0.42 -0.31 0.00 -0.11 0.00 0.00 54.58 54.72 2kha n ASN 96 Cb 0.60 -4.53 0.05 0.00 1.24 0.00 0.00 39.78 37.14 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 -2.65 1.65 0.11 8.20 0.00 -0.52 -4.92 107.32 109.18 2kha s GLY 97 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.43 2kha s GLY 97 CO 0.00 0.22 0.43 -1.83 0.00 0.00 0.00 173.10 171.92 2kha s GLU 98 N -5.17 1.06 0.22 2.90 1.03 -1.26 -2.12 118.70 115.36 2kha s GLU 98 Ca 0.58 -0.59 -0.17 0.00 0.03 0.00 0.00 54.97 54.82 2kha s GLU 98 Cb -0.13 0.47 0.02 0.00 -0.80 0.00 0.00 34.13 33.69 2kha s GLU 98 CO 0.54 -0.41 0.53 -0.46 -1.33 0.00 0.00 175.26 174.13 2kha s TRP 99 N -3.47 -0.00 0.26 4.83 -0.00 -0.72 -4.95 118.94 114.88 2kha s TRP 99 Ca 0.01 -0.36 0.08 0.00 -0.00 0.00 0.00 56.10 55.83 2kha s TRP 99 Cb 0.01 0.37 -0.04 0.00 -0.00 0.00 0.00 33.47 33.81 2kha s TRP 99 CO -0.10 -0.97 0.09 -0.08 -0.00 0.00 0.00 176.95 175.89 2kha s THR 100 N -3.92 3.88 0.00 5.86 -1.32 -1.26 0.67 115.64 119.56 2kha s THR 100 Ca 0.13 -1.69 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 2kha s THR 100 Cb -0.01 -3.09 0.00 0.00 -1.51 0.00 0.00 72.50 67.88 2kha s THR 100 CO 0.01 -0.36 0.54 0.52 -2.21 0.00 0.00 174.62 173.12 2kha n VAL 101 N -1.03 0.18 0.23 5.08 0.31 -0.73 -4.70 118.33 117.68 2kha n VAL 101 Ca -0.07 -0.52 0.09 0.00 -0.01 0.00 0.00 64.34 63.83 2kha n VAL 101 Cb 0.59 1.01 0.43 0.00 -0.91 0.00 0.00 33.84 34.96 2kha n VAL 101 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2kha n THR 102 N -0.09 1.15 -4.17 2.52 -2.24 -1.26 -3.58 114.28 106.61 2kha n THR 102 Ca 0.00 0.51 -0.17 0.00 -2.27 0.00 0.00 64.05 62.11 2kha n THR 102 Cb 0.09 -1.46 -0.12 0.00 -2.10 0.00 0.00 70.33 66.74 2kha n THR 102 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kha s GLU 103 N -3.33 0.81 0.03 -0.78 2.12 -1.26 -4.69 118.70 111.59 2kha s GLU 103 Ca 0.01 -0.98 0.04 0.00 0.36 0.00 0.00 54.97 54.40 2kha s GLU 103 Cb 0.06 -0.75 -0.02 0.00 0.26 0.00 0.00 34.13 33.68 2kha s GLU 103 CO 0.22 0.16 -0.12 -0.06 -0.54 0.00 0.00 175.26 174.92 2kha s PHE 104 N -1.46 1.04 0.32 5.30 0.40 -1.26 -3.79 117.98 118.53 2kha s PHE 104 Ca -0.01 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.03 2kha s PHE 104 Cb -0.09 -0.62 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 2kha s PHE 104 CO 0.02 0.01 0.47 0.14 0.70 0.00 0.00 175.22 176.56 2kha s VAL 105 N -0.80 4.48 0.41 -0.44 -7.23 0.38 0.16 120.40 117.36 2kha s VAL 105 Ca 0.00 -0.88 -0.15 0.00 -1.81 0.00 0.00 61.98 59.14 2kha s VAL 105 Cb -0.07 -3.58 -0.08 0.00 0.56 0.00 0.00 36.38 33.20 2kha s VAL 105 CO 0.01 -0.26 0.83 0.21 -0.31 0.00 0.00 175.10 175.57 2kha s ASN 106 N -4.11 6.68 0.48 4.85 2.47 1.19 -4.19 114.94 122.31 2kha s ASN 106 Ca 0.42 1.35 0.26 0.00 0.42 0.00 0.00 52.86 55.30 2kha s ASN 106 Cb -0.09 -2.41 1.39 0.00 -1.45 0.00 0.00 41.25 38.69 2kha s ASN 106 CO 0.32 -0.37 1.75 1.05 -3.72 0.00 0.00 177.10 176.13 2kha h GLU 107 N 1.59 0.00 -0.02 0.43 4.11 -1.92 0.82 114.58 119.59 2kha h GLU 107 Ca -0.48 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.82 2kha h GLU 107 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2kha h GLU 107 CO 0.63 0.00 -0.62 0.22 0.07 0.00 0.00 179.01 179.32 2kha h ASP 108 N 0.00 0.07 0.00 3.06 1.82 -2.02 -3.47 116.42 115.88 2kha h ASP 108 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2kha h ASP 108 Cb 0.35 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2kha h ASP 108 CO 0.00 0.67 0.00 0.61 -1.61 0.00 0.00 179.24 178.91 2kha n GLY 109 N 0.26 1.80 3.12 -0.78 0.00 0.28 -5.14 105.19 104.73 2kha n GLY 109 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2kha n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kha s THR 110 N -2.00 0.44 0.04 2.61 -4.23 -1.23 -4.87 115.64 106.41 2kha s THR 110 Ca 0.00 -1.80 -0.37 0.00 -1.18 0.00 0.00 61.69 58.34 2kha s THR 110 Cb 0.00 -1.51 -0.16 0.00 1.34 0.00 0.00 72.50 72.17 2kha s THR 110 CO 0.00 -0.90 1.43 -2.65 -0.54 0.00 0.00 174.62 171.96 2kha n PRO 111 N 0.16 1.25 -2.38 3.99 -0.02 -1.26 0.37 135.00 137.11 2kha n PRO 111 Ca -0.14 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 2kha n PRO 111 Cb 0.60 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.01 3.55 -0.15 3.55 0.00 0.42 -4.55 121.76 125.58 2kha s ALA 112 Ca 0.86 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 53.43 2kha s ALA 112 Cb -0.94 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 18.58 2kha s ALA 112 CO 0.49 -0.88 0.06 0.34 0.00 0.00 0.00 175.76 175.76 2kha s ASP 113 N 1.71 5.65 -0.68 0.00 2.15 -1.26 -4.73 116.67 119.50 2kha s ASP 113 Ca 0.58 0.15 -0.26 0.00 0.43 0.00 0.00 52.55 53.46 2kha s ASP 113 Cb -0.26 -1.87 -0.12 0.00 -0.30 0.00 0.00 42.92 40.37 2kha s ASP 113 CO 0.22 0.26 2.42 0.41 -0.17 0.00 0.00 175.17 178.31 2kha n THR 114 N 2.99 -0.03 -4.05 1.71 -1.04 -1.26 -4.87 114.28 107.72 2kha n THR 114 Ca -0.18 -0.61 -0.08 0.00 -2.04 0.00 0.00 64.05 61.14 2kha n THR 114 Cb 0.53 -2.26 -0.09 0.00 -1.82 0.00 0.00 70.33 66.68 2kha n THR 114 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2kha s SER 115 N 11.28 0.35 -1.16 8.00 0.15 -1.26 -5.05 113.70 126.00 2kha s SER 115 Ca 0.96 -0.98 -0.07 0.00 0.70 0.00 0.00 55.95 56.56 2kha s SER 115 Cb -0.16 0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2kha s SER 115 CO 0.16 -0.68 2.81 -0.11 1.20 0.00 0.00 173.24 176.62 2kha n LEU 116 N 0.01 7.76 -1.65 3.45 7.94 -1.26 -4.87 117.00 128.37 2kha n LEU 116 Ca -0.12 -4.38 0.00 0.00 -1.11 0.00 0.00 56.01 50.41 2kha n LEU 116 Cb 0.62 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.15 2kha n LEU 116 CO 0.27 1.98 -0.43 -0.62 -1.11 0.00 0.00 177.39 177.49 2kha n GLU 117 N 2.40 -4.64 0.00 1.96 1.02 -1.26 -5.31 120.64 114.81 2kha n GLU 117 Ca 0.64 3.35 0.10 0.00 -0.02 0.00 0.00 57.16 61.23 2kha n GLU 117 Cb 0.37 -3.69 0.58 0.00 -0.02 0.00 0.00 31.44 28.68 2kha n GLU 117 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96