#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 0.58 0.26 1.08 5.04 -1.26 -5.06 117.35 117.99 2kha s TYR 7 Ca 0.00 0.68 0.10 0.00 -2.44 0.00 0.00 57.07 55.42 2kha s TYR 7 Cb 0.00 -3.23 -0.05 0.00 0.35 0.00 0.00 41.96 39.03 2kha s TYR 7 CO 0.00 -4.02 -0.08 0.08 -1.34 0.00 0.00 175.55 170.19 2kha s VAL 8 N -2.74 3.08 0.26 3.14 1.01 -1.26 -4.94 120.40 118.96 2kha s VAL 8 Ca 0.69 -2.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.33 2kha s VAL 8 Cb -0.14 -2.62 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 2kha s VAL 8 CO 0.58 -0.35 1.15 0.54 0.00 0.00 0.00 175.10 177.02 2kha s VAL 9 N -2.30 3.40 0.00 2.92 0.11 -1.26 -4.98 120.40 118.30 2kha s VAL 9 Ca 0.30 1.35 0.00 0.00 -2.93 0.00 0.00 61.98 60.70 2kha s VAL 9 Cb -0.06 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 2kha s VAL 9 CO 0.18 0.30 0.00 -0.81 -3.33 0.00 0.00 175.10 171.43 2kha n PRO 10 N 1.46 -0.81 -3.79 1.54 -0.04 -1.26 -4.87 135.00 127.22 2kha n PRO 10 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.10 2kha n PRO 10 Cb 0.44 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.65 4.99 -0.59 3.54 0.15 -1.26 -4.77 113.70 114.11 2kha s SER 11 Ca 0.00 -0.73 -0.26 0.00 0.70 0.00 0.00 55.95 55.66 2kha s SER 11 Cb 0.00 -1.84 0.04 0.00 -1.71 0.00 0.00 66.02 62.50 2kha s SER 11 CO 0.00 -0.18 1.09 0.00 1.20 0.00 0.00 173.24 175.35 2kha s ALA 12 N 1.47 3.04 0.57 5.45 0.00 -1.25 -3.91 121.76 127.13 2kha s ALA 12 Ca 0.02 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 2kha s ALA 12 Cb -0.17 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 2kha s ALA 12 CO 0.01 -2.63 0.96 0.15 0.00 0.00 0.00 175.76 174.26 2kha s LYS 13 N 4.58 3.63 -0.01 0.00 1.02 0.29 -4.85 119.74 124.40 2kha s LYS 13 Ca 0.36 0.64 -0.16 0.00 0.02 0.00 0.00 55.97 56.83 2kha s LYS 13 Cb -0.10 -2.16 0.03 0.00 -0.52 0.00 0.00 37.83 35.07 2kha s LYS 13 CO 0.21 -0.44 0.33 -0.51 -0.92 0.00 0.00 175.35 174.02 2kha s LEU 14 N -4.92 0.75 -0.06 3.17 1.02 -1.26 -1.90 118.68 115.49 2kha s LEU 14 Ca 0.54 0.08 -0.08 0.00 0.02 0.00 0.00 54.13 54.69 2kha s LEU 14 Cb -0.11 1.37 0.02 0.00 0.02 0.00 0.00 46.19 47.49 2kha s LEU 14 CO 0.49 -0.49 0.20 -1.61 0.02 0.00 0.00 176.35 174.95 2kha s GLU 15 N -1.55 0.32 -0.34 1.70 2.02 -0.55 -4.99 118.70 115.32 2kha s GLU 15 Ca -0.12 0.11 -0.23 0.00 0.02 0.00 0.00 54.97 54.74 2kha s GLU 15 Cb -0.04 0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.34 2kha s GLU 15 CO 0.03 -0.06 0.79 0.00 0.02 0.00 0.00 175.26 176.05 2kha s ALA 16 N -0.31 3.48 -0.09 5.21 0.00 -1.25 -2.43 121.76 126.37 2kha s ALA 16 Ca -0.04 -0.53 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 2kha s ALA 16 Cb -0.03 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2kha s ALA 16 CO 0.01 -1.35 0.63 0.42 0.00 0.00 0.00 175.76 175.47 2kha s ILE 17 N 3.05 5.09 0.02 0.00 -1.09 -0.99 0.14 121.20 127.42 2kha s ILE 17 Ca 0.32 1.29 -0.13 0.00 -2.23 0.00 0.00 60.65 59.90 2kha s ILE 17 Cb -0.14 -3.97 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 2kha s ILE 17 CO 0.15 0.26 0.40 -0.47 -1.23 0.00 0.00 174.94 174.05 2kha s TYR 18 N 0.81 3.68 -2.39 3.97 5.04 -1.10 -1.46 117.35 125.91 2kha s TYR 18 Ca 0.34 0.92 0.22 0.00 -2.44 0.00 0.00 57.07 56.10 2kha s TYR 18 Cb -0.17 -2.24 0.59 0.00 0.35 0.00 0.00 41.96 40.49 2kha s TYR 18 CO 0.15 0.61 1.47 -0.35 -1.34 0.00 0.00 175.55 176.10 2kha n PRO 19 N 1.55 2.07 -3.10 4.97 -0.04 -1.26 -4.63 135.00 134.56 2kha n PRO 19 Ca -0.12 -1.61 0.04 0.00 -0.04 0.00 0.00 63.50 61.77 2kha n PRO 19 Cb 0.52 -1.44 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.68 0.35 0.01 0.54 3.03 -0.90 -4.93 118.95 115.37 2kha s ARG 20 Ca 0.35 0.19 -0.28 0.00 2.03 0.00 0.00 55.73 58.01 2kha s ARG 20 Cb 0.20 0.12 0.10 0.00 -1.03 0.00 0.00 34.95 34.33 2kha s ARG 20 CO 0.28 -0.60 1.25 0.20 -1.13 0.00 0.00 175.30 175.31 2kha s GLY 21 N 2.65 -0.17 -0.15 3.88 0.00 -0.54 -4.30 107.32 108.69 2kha s GLY 21 Ca 0.19 0.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.94 2kha s GLY 21 CO -0.21 3.77 0.39 -2.27 0.00 0.00 0.00 173.10 174.78 2kha s LEU 22 N -3.54 0.46 -0.21 0.66 2.96 0.32 -2.34 118.68 116.99 2kha s LEU 22 Ca 0.24 0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 54.93 2kha s LEU 22 Cb 0.01 1.32 0.06 0.00 0.50 0.00 0.00 46.19 48.07 2kha s LEU 22 CO -0.01 -0.14 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.25 2kha s ARG 23 N 0.34 1.35 0.08 1.98 3.52 -1.02 0.49 118.95 125.68 2kha s ARG 23 Ca -0.01 -0.78 0.10 0.00 -0.13 0.00 0.00 55.73 54.91 2kha s ARG 23 Cb -0.03 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.94 2kha s ARG 23 CO -0.01 -0.59 -0.26 0.08 -0.81 0.00 0.00 175.30 173.71 2kha s VAL 24 N 1.55 2.22 0.01 7.11 1.01 -0.80 -1.48 120.40 130.01 2kha s VAL 24 Ca -0.04 -1.53 -0.12 0.00 0.00 0.00 0.00 61.98 60.30 2kha s VAL 24 Cb -0.18 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2kha s VAL 24 CO -0.07 0.26 0.24 -0.44 0.00 0.00 0.00 175.10 175.09 2kha s SER 25 N -1.57 -0.08 -0.02 3.32 0.01 -0.80 0.28 113.70 114.84 2kha s SER 25 Ca 0.13 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2kha s SER 25 Cb -0.10 0.29 0.03 0.00 0.21 0.00 0.00 66.02 66.45 2kha s SER 25 CO 0.04 -0.47 0.03 0.27 0.41 0.00 0.00 173.24 173.51 2kha s ILE 26 N -1.76 -0.05 -0.50 1.44 -4.36 -1.03 0.10 121.20 115.03 2kha s ILE 26 Ca -0.11 0.21 -0.26 0.00 -0.26 0.00 0.00 60.65 60.23 2kha s ILE 26 Cb -0.04 -0.08 -0.07 0.00 1.25 0.00 0.00 42.46 43.52 2kha s ILE 26 CO 0.01 0.09 2.36 -2.16 0.24 0.00 0.00 174.94 175.48 2kha s PRO 27 N 1.06 2.13 0.91 0.37 0.04 -1.25 -2.03 135.00 136.24 2kha s PRO 27 Ca -0.09 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.18 2kha s PRO 27 Cb -0.13 -4.57 0.14 0.00 0.04 0.00 0.00 34.50 29.98 2kha s PRO 27 CO -0.03 -3.25 1.13 0.34 0.04 0.00 0.00 177.00 175.23 2kha s ASP 28 N 11.87 3.02 -0.34 6.66 2.15 0.40 -4.65 116.67 135.78 2kha s ASP 28 Ca 0.95 2.08 0.15 0.00 0.43 0.00 0.00 52.55 56.16 2kha s ASP 28 Cb -0.17 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.36 2kha s ASP 28 CO 0.25 -3.02 1.24 -0.67 -0.17 0.00 0.00 175.17 172.80 2kha n ASP 29 N -4.18 -0.19 -2.73 -0.34 2.03 -1.26 -4.79 116.55 105.09 2kha n ASP 29 Ca 0.11 -2.39 -0.15 0.00 0.52 0.00 0.00 54.79 52.88 2kha n ASP 29 Cb 0.52 0.22 0.06 0.00 -0.72 0.00 0.00 41.12 41.20 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 -0.66 -0.12 0.00 0.27 0.00 -1.26 -5.03 105.19 98.39 2kha n GLY 30 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.82 0.00 0.00 1.61 3.72 -1.26 -4.74 117.46 112.97 2kha n PHE 31 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2kha n PHE 31 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 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 -3.78 4.37 2.88 0.84 -4.29 113.62 113.64 2kha n SER 32 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2kha n SER 32 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 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 -0.66 1.10 -0.27 2.46 2.96 -1.01 -4.69 118.68 118.57 2kha s LEU 33 Ca 0.00 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 2kha s LEU 33 Cb 0.00 0.04 0.07 0.00 0.50 0.00 0.00 46.19 46.79 2kha s LEU 33 CO 0.00 -0.12 -0.08 0.12 -1.32 0.00 0.00 176.35 174.95 2kha s PHE 34 N 0.97 3.35 -0.22 5.38 5.36 -0.63 0.95 117.98 133.15 2kha s PHE 34 Ca -0.08 -2.44 -0.04 0.00 -0.96 0.00 0.00 56.93 53.41 2kha s PHE 34 Cb -0.11 -2.10 -0.01 0.00 -0.34 0.00 0.00 43.02 40.46 2kha s PHE 34 CO -0.03 -0.89 -0.03 0.00 -1.46 0.00 0.00 175.22 172.81 2kha s ALA 35 N 1.07 2.87 -0.16 11.12 0.00 0.36 0.25 121.76 137.27 2kha s ALA 35 Ca -0.06 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 2kha s ALA 35 Cb -0.20 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 2kha s ALA 35 CO -0.05 -0.40 -0.05 0.12 0.00 0.00 0.00 175.76 175.38 2kha s PHE 36 N 1.43 2.99 -0.12 0.00 2.19 -0.98 0.16 117.98 123.64 2kha s PHE 36 Ca 0.05 -0.41 0.02 0.00 0.33 0.00 0.00 56.93 56.92 2kha s PHE 36 Cb -0.14 -1.96 0.02 0.00 -1.31 0.00 0.00 43.02 39.62 2kha s PHE 36 CO -0.02 -0.12 -0.16 -1.58 1.83 0.00 0.00 175.22 175.18 2kha s HIS 37 N 0.49 2.05 -0.20 10.12 2.46 -0.60 -2.03 115.29 127.58 2kha s HIS 37 Ca -0.04 -0.99 -0.19 0.00 0.47 0.00 0.00 55.06 54.31 2kha s HIS 37 Cb -0.15 -1.48 0.05 0.00 -0.13 0.00 0.00 32.58 30.88 2kha s HIS 37 CO 0.03 -0.51 0.54 0.20 -2.47 0.00 0.00 174.74 172.53 2kha s GLY 38 N 1.03 -0.40 0.09 1.59 0.00 -0.60 -0.41 107.32 108.61 2kha s GLY 38 Ca -0.05 1.51 0.06 0.00 0.00 0.00 0.00 44.72 46.24 2kha s GLY 38 CO -0.03 1.30 -0.08 1.25 0.00 0.00 0.00 173.10 175.54 2kha s LYS 39 N 0.28 2.23 -0.28 2.90 2.20 0.11 0.14 119.74 127.32 2kha s LYS 39 Ca -0.00 -0.96 -0.13 0.00 -0.36 0.00 0.00 55.97 54.52 2kha s LYS 39 Cb -0.04 -2.36 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 2kha s LYS 39 CO 0.01 0.52 0.28 -1.17 -0.36 0.00 0.00 175.35 174.63 2kha s LEU 40 N -2.11 4.08 -0.96 5.43 2.96 -1.26 -2.26 118.68 124.55 2kha s LEU 40 Ca 0.21 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 2kha s LEU 40 Cb -0.11 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 2kha s LEU 40 CO 0.13 -0.13 0.82 -3.20 -1.32 0.00 0.00 176.35 172.66 2kha n ASN 41 N 5.19 -4.86 0.00 3.68 2.85 -0.70 -5.01 115.26 116.41 2kha n ASN 41 Ca -0.11 -0.60 0.00 0.00 -0.11 0.00 0.00 54.58 53.76 2kha n ASN 41 Cb 0.51 -4.60 0.00 0.00 1.24 0.00 0.00 39.78 36.93 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 -3.23 0.00 0.00 1.20 2.13 -1.26 -5.08 120.64 114.40 2kha n GLU 42 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 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 -1.44 -3.58 5.31 1.02 -1.26 -4.64 120.64 116.04 2kha n GLU 43 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2kha n GLU 43 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 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 0.51 -0.41 3.49 0.23 -1.26 -4.98 119.30 114.33 2kha s MET 44 Ca 0.00 0.06 0.09 0.00 -1.03 0.00 0.00 55.69 54.81 2kha s MET 44 Cb 0.00 0.24 0.27 0.00 -1.53 0.00 0.00 34.83 33.81 2kha s MET 44 CO 0.00 -0.17 0.59 -3.47 -2.03 0.00 0.00 175.02 169.93 2kha n ASP 45 N 0.55 0.63 0.00 -1.18 -0.08 -1.26 -4.73 116.55 110.48 2kha n ASP 45 Ca -0.08 -2.83 0.00 0.00 -1.51 0.00 0.00 54.79 50.38 2kha n ASP 45 Cb 0.58 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.41 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 1.11 -0.00 2.52 0.27 0.00 -1.26 -4.97 105.19 102.86 2kha n GLY 46 Ca 0.23 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 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 3.94 -4.87 0.99 4.77 -1.26 -4.94 117.00 115.64 2kha n LEU 47 Ca 0.00 -5.49 -0.31 0.00 -0.03 0.00 0.00 56.01 50.19 2kha n LEU 47 Cb 0.00 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.41 2kha n LEU 47 CO 0.00 2.11 0.59 -1.61 -1.33 0.00 0.00 177.39 177.15 2kha s GLU 48 N -2.67 3.75 0.47 3.23 0.41 -1.26 -4.94 118.70 117.69 2kha s GLU 48 Ca 0.41 0.66 0.32 0.00 -0.41 0.00 0.00 54.97 55.95 2kha s GLU 48 Cb 0.17 -2.22 1.69 0.00 -1.78 0.00 0.00 34.13 31.99 2kha s GLU 48 CO -0.03 -0.28 1.97 0.00 -0.49 0.00 0.00 175.26 176.43 2kha h ALA 49 N 0.58 1.00 -0.04 5.21 0.00 -2.00 -3.46 119.26 120.55 2kha h ALA 49 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kha h ALA 49 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kha h ALA 49 CO 0.62 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.28 2kha n GLY 50 N -1.10 2.39 1.49 0.00 0.00 -1.26 -4.62 105.19 102.10 2kha n GLY 50 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.24 -2.42 1.61 -0.00 0.37 -4.77 115.22 123.77 2kha n HIS 51 Ca 0.00 0.04 -0.37 0.00 0.46 0.00 0.00 57.72 57.85 2kha n HIS 51 Cb 0.00 0.25 -0.04 0.00 -0.12 0.00 0.00 29.99 30.09 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 -1.19 2.31 -0.58 1.57 0.51 0.30 -4.78 118.94 117.08 2kha s TRP 52 Ca 0.00 -0.37 0.02 0.00 -2.12 0.00 0.00 56.10 53.63 2kha s TRP 52 Cb 0.00 -4.51 0.14 0.00 -0.81 0.00 0.00 33.47 28.29 2kha s TRP 52 CO 0.00 -1.91 0.35 0.00 -0.51 0.00 0.00 176.95 174.88 2kha s ALA 53 N 6.43 3.46 -0.05 0.98 0.00 -1.21 -1.56 121.76 129.81 2kha s ALA 53 Ca 0.52 -3.37 0.01 0.00 0.00 0.00 0.00 51.96 49.12 2kha s ALA 53 Cb -0.03 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.82 2kha s ALA 53 CO -0.05 -2.05 -0.05 0.50 0.00 0.00 0.00 175.76 174.11 2kha s ARG 54 N -0.43 0.91 -0.29 0.00 6.06 -0.86 -4.98 118.95 119.36 2kha s ARG 54 Ca 0.18 -0.11 -0.16 0.00 -2.50 0.00 0.00 55.73 53.15 2kha s ARG 54 Cb -0.22 -0.95 -0.03 0.00 0.06 0.00 0.00 34.95 33.82 2kha s ARG 54 CO -0.03 -0.12 0.42 0.16 -2.50 0.00 0.00 175.30 173.23 2kha s ASP 55 N 1.10 6.29 0.00 -2.12 1.47 -1.26 -2.33 116.67 119.82 2kha s ASP 55 Ca -0.08 0.24 -0.02 0.00 1.18 0.00 0.00 52.55 53.87 2kha s ASP 55 Cb -0.14 -2.23 -0.04 0.00 -0.34 0.00 0.00 42.92 40.17 2kha s ASP 55 CO -0.01 -0.26 0.19 -0.63 0.68 0.00 0.00 175.17 175.14 2kha s ILE 56 N 2.15 5.42 -0.20 2.11 1.01 0.14 -4.95 121.20 126.89 2kha s ILE 56 Ca 0.16 -0.20 0.18 0.00 0.00 0.00 0.00 60.65 60.80 2kha s ILE 56 Cb -0.16 -3.55 0.47 0.00 0.01 0.00 0.00 42.46 39.23 2kha s ILE 56 CO 0.10 0.30 1.16 0.35 0.00 0.00 0.00 174.94 176.85 2kha n THR 57 N 0.84 1.37 -3.20 2.92 -2.24 -1.26 -1.61 114.28 111.11 2kha n THR 57 Ca -0.10 -2.79 0.01 0.00 -2.27 0.00 0.00 64.05 58.90 2kha n THR 57 Cb 0.52 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.76 0.78 1.21 -0.78 2.47 -1.26 -5.04 119.74 114.35 2kha s LYS 58 Ca 0.36 -0.15 -0.16 0.00 -1.56 0.00 0.00 55.97 54.46 2kha s LYS 58 Cb 0.36 0.12 0.25 0.00 -1.46 0.00 0.00 37.83 37.10 2kha s LYS 58 CO -0.06 -1.16 0.64 -2.30 0.16 0.00 0.00 175.35 172.63 2kha n PRO 59 N 4.55 -2.67 -1.14 4.03 -0.02 -1.26 -4.73 135.00 133.76 2kha n PRO 59 Ca 0.10 -0.77 -0.16 0.00 -2.02 0.00 0.00 63.50 60.66 2kha n PRO 59 Cb 0.57 -1.94 0.15 0.00 -0.02 0.00 0.00 33.50 32.26 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 -4.06 2.28 -1.53 -0.52 4.81 0.44 -4.90 118.16 114.67 2kha n LYS 60 Ca 0.03 -3.30 -0.00 0.00 -0.87 0.00 0.00 58.31 54.17 2kha n LYS 60 Cb 0.56 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2kha n LYS 60 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kha n GLU 61 N -1.05 -0.09 -0.54 1.64 1.02 -1.26 -4.35 120.64 116.01 2kha n GLU 61 Ca 0.45 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 2kha n GLU 61 Cb 1.11 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 31.38 2kha n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kha n GLY 62 N -0.01 1.12 3.54 0.62 0.00 -1.26 -4.92 105.19 104.28 2kha n GLY 62 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.22 0.59 0.58 1.61 3.52 -1.26 -0.45 118.95 123.31 2kha s ARG 63 Ca 0.00 1.17 -0.13 0.00 -0.13 0.00 0.00 55.73 56.64 2kha s ARG 63 Cb 0.00 0.27 -0.06 0.00 -1.56 0.00 0.00 34.95 33.60 2kha s ARG 63 CO 0.00 -0.17 1.01 -1.58 -0.81 0.00 0.00 175.30 173.75 2kha s TRP 64 N 1.91 3.54 -0.09 5.12 0.52 -0.86 0.17 118.94 129.24 2kha s TRP 64 Ca -0.08 1.37 -0.01 0.00 0.02 0.00 0.00 56.10 57.39 2kha s TRP 64 Cb -0.08 -2.76 0.03 0.00 -1.15 0.00 0.00 33.47 29.52 2kha s TRP 64 CO -0.18 -0.57 -0.01 0.99 0.02 0.00 0.00 176.95 177.21 2kha s THR 65 N -2.93 0.51 -0.68 2.01 2.01 -1.26 -2.46 115.64 112.84 2kha s THR 65 Ca 0.57 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.55 2kha s THR 65 Cb -0.11 -0.69 0.17 0.00 0.01 0.00 0.00 72.50 71.88 2kha s THR 65 CO 0.44 0.22 0.48 0.12 -0.69 0.00 0.00 174.62 175.19 2kha s PHE 66 N 1.91 3.50 0.09 4.92 5.36 0.14 -4.97 117.98 128.93 2kha s PHE 66 Ca 0.04 -3.11 -0.08 0.00 -0.96 0.00 0.00 56.93 52.82 2kha s PHE 66 Cb -0.13 -2.95 -0.06 0.00 -0.34 0.00 0.00 43.02 39.55 2kha s PHE 66 CO -0.06 -0.70 0.39 0.50 -1.46 0.00 0.00 175.22 173.89 2kha s ARG 67 N -0.84 3.71 -0.18 10.12 3.52 -1.26 -1.91 118.95 132.11 2kha s ARG 67 Ca 0.22 0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.87 2kha s ARG 67 Cb -0.14 -2.96 0.06 0.00 -1.56 0.00 0.00 34.95 30.35 2kha s ARG 67 CO -0.09 0.54 0.07 -0.51 -0.81 0.00 0.00 175.30 174.50 2kha s ASP 68 N -1.94 2.58 -0.13 -2.12 1.11 0.18 -4.95 116.67 111.40 2kha s ASP 68 Ca 0.35 -0.70 0.05 0.00 0.18 0.00 0.00 52.55 52.43 2kha s ASP 68 Cb -0.13 -0.37 0.37 0.00 1.07 0.00 0.00 42.92 43.85 2kha s ASP 68 CO 0.19 -0.34 1.16 0.54 1.18 0.00 0.00 175.17 177.91 2kha n ARG 69 N 5.19 2.56 -2.32 8.23 1.74 -1.26 0.12 116.66 130.92 2kha n ARG 69 Ca -0.08 -1.46 0.00 0.00 -0.77 0.00 0.00 57.85 55.54 2kha n ARG 69 Cb 0.48 -1.79 0.04 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.17 0.83 -4.68 0.55 5.03 -1.26 -4.72 115.26 111.17 2kha n ASN 70 Ca 0.16 -2.04 -0.36 0.00 0.87 0.00 0.00 54.58 53.21 2kha n ASN 70 Cb 0.78 -0.22 -0.09 0.00 -1.02 0.00 0.00 39.78 39.23 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kha s ALA 71 N -1.97 3.62 -1.35 5.41 0.00 -1.25 -5.01 121.76 121.22 2kha s ALA 71 Ca 0.25 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.28 2kha s ALA 71 Cb 0.33 -2.32 0.05 0.00 0.00 0.00 0.00 23.12 21.18 2kha s ALA 71 CO -0.08 -0.09 1.94 1.17 0.00 0.00 0.00 175.76 178.69 2kha n LYS 72 N 4.06 2.97 -3.83 0.00 3.00 -1.26 -3.89 118.16 119.21 2kha n LYS 72 Ca -0.14 -2.96 -0.35 0.00 -0.00 0.00 0.00 58.31 54.86 2kha n LYS 72 Cb 0.52 -3.41 -0.08 0.00 0.00 0.00 0.00 35.03 32.05 2kha n LYS 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kha s LEU 73 N 3.58 4.09 0.18 3.14 1.43 -1.26 -5.07 118.68 124.77 2kha s LEU 73 Ca 0.52 0.20 0.11 0.00 -1.03 0.00 0.00 54.13 53.92 2kha s LEU 73 Cb 0.08 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2kha s LEU 73 CO 0.02 0.20 -0.23 -0.75 0.23 0.00 0.00 176.35 175.81 2kha s LYS 74 N 0.26 1.45 0.23 1.70 2.20 -1.26 -4.91 119.74 119.41 2kha s LYS 74 Ca 0.07 -1.48 -0.31 0.00 -0.36 0.00 0.00 55.97 53.89 2kha s LYS 74 Cb -0.11 -1.75 -0.11 0.00 -1.51 0.00 0.00 37.83 34.35 2kha s LYS 74 CO -0.01 0.38 1.62 -1.17 -0.36 0.00 0.00 175.35 175.81 2kha s LEU 75 N -2.59 4.36 0.00 5.43 1.98 -1.25 -2.00 118.68 124.61 2kha s LEU 75 Ca 0.19 2.82 0.00 0.00 -2.89 0.00 0.00 54.13 54.24 2kha s LEU 75 Cb -0.08 -3.61 0.00 0.00 0.66 0.00 0.00 46.19 43.16 2kha s LEU 75 CO 0.09 -0.90 0.00 0.61 -1.89 0.00 0.00 176.35 174.26 2kha n GLY 76 N 3.22 3.02 3.57 7.98 0.00 -1.20 -4.89 105.19 116.89 2kha n GLY 76 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 0.20 -0.07 -4.55 1.61 -0.08 -0.85 -4.73 116.55 108.09 2kha n ASP 77 Ca 0.00 0.60 -0.29 0.00 -1.51 0.00 0.00 54.79 53.59 2kha n ASP 77 Cb 0.00 -1.36 -0.10 0.00 2.34 0.00 0.00 41.12 42.00 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 -3.37 2.02 0.05 -0.67 2.47 -1.26 -1.55 119.74 117.42 2kha s LYS 78 Ca 0.70 -1.12 0.04 0.00 -1.56 0.00 0.00 55.97 54.03 2kha s LYS 78 Cb -0.32 -2.22 -0.04 0.00 -1.46 0.00 0.00 37.83 33.79 2kha s LYS 78 CO 0.54 0.48 -0.05 0.42 0.16 0.00 0.00 175.35 176.90 2kha s ILE 79 N -1.31 3.75 -0.09 5.43 1.09 0.33 -1.72 121.20 128.68 2kha s ILE 79 Ca 0.21 -0.93 -0.04 0.00 -1.10 0.00 0.00 60.65 58.80 2kha s ILE 79 Cb -0.10 -2.71 0.05 0.00 -1.06 0.00 0.00 42.46 38.64 2kha s ILE 79 CO 0.13 0.25 0.18 -0.31 -0.10 0.00 0.00 174.94 175.09 2kha s TYR 80 N -1.14 -0.22 0.16 3.97 2.02 -0.96 -2.25 117.35 118.92 2kha s TYR 80 Ca 0.21 0.63 -0.07 0.00 -0.37 0.00 0.00 57.07 57.47 2kha s TYR 80 Cb -0.11 -0.12 0.03 0.00 -0.40 0.00 0.00 41.96 41.35 2kha s TYR 80 CO 0.12 -0.24 0.35 1.97 -1.57 0.00 0.00 175.55 176.19 2kha n PHE 81 N 4.74 -1.54 -3.71 2.71 -1.74 -0.93 0.08 117.46 117.07 2kha n PHE 81 Ca -0.16 -0.78 -0.11 0.00 -0.56 0.00 0.00 57.45 55.83 2kha n PHE 81 Cb 0.51 0.39 -0.10 0.00 1.52 0.00 0.00 39.48 41.80 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 -5.92 -0.56 0.27 2.97 1.48 0.45 -1.37 118.94 116.26 2kha s TRP 82 Ca 0.07 1.26 0.05 0.00 -1.06 0.00 0.00 56.10 56.42 2kha s TRP 82 Cb -0.02 0.23 -0.02 0.00 -1.16 0.00 0.00 33.47 32.50 2kha s TRP 82 CO 0.05 -0.30 0.40 0.95 -4.06 0.00 0.00 176.95 173.99 2kha s THR 83 N 0.90 4.96 -0.02 0.66 -4.23 -1.06 -1.56 115.64 115.29 2kha s THR 83 Ca -0.05 -0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.48 2kha s THR 83 Cb -0.06 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.04 2kha s THR 83 CO -0.07 -0.30 0.06 -0.47 -0.54 0.00 0.00 174.62 173.29 2kha s TYR 84 N -2.05 -0.05 0.13 3.99 5.04 0.41 -1.85 117.35 122.97 2kha s TYR 84 Ca 0.37 0.16 0.02 0.00 -2.44 0.00 0.00 57.07 55.18 2kha s TYR 84 Cb -0.09 -0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.16 2kha s TYR 84 CO 0.30 -0.04 -0.04 0.54 -1.34 0.00 0.00 175.55 174.97 2kha s VAL 85 N 0.22 0.71 -0.17 3.14 0.11 -0.16 0.14 120.40 124.39 2kha s VAL 85 Ca -0.02 -1.96 -0.03 0.00 -2.93 0.00 0.00 61.98 57.04 2kha s VAL 85 Cb -0.03 -1.88 0.06 0.00 -1.53 0.00 0.00 36.38 33.00 2kha s VAL 85 CO -0.01 -0.70 0.05 -0.63 -3.33 0.00 0.00 175.10 170.49 2kha s ILE 86 N -3.63 0.27 -0.94 7.04 -1.09 0.27 -2.20 121.20 120.92 2kha s ILE 86 Ca 0.17 -0.33 -0.01 0.00 -2.23 0.00 0.00 60.65 58.26 2kha s ILE 86 Cb 0.05 -0.79 0.30 0.00 -1.58 0.00 0.00 42.46 40.44 2kha s ILE 86 CO -0.01 -0.18 1.34 1.17 -1.23 0.00 0.00 174.94 176.03 2kha n LYS 87 N 5.15 4.12 -3.22 2.79 4.81 -0.96 0.29 118.16 131.14 2kha n LYS 87 Ca -0.08 -4.62 -0.15 0.00 -0.87 0.00 0.00 58.31 52.59 2kha n LYS 87 Cb 0.48 -2.43 0.07 0.00 0.02 0.00 0.00 35.03 33.17 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 0.90 -4.58 0.00 3.14 -0.08 -1.26 -3.35 116.55 111.33 2kha n ASP 88 Ca 0.30 -0.63 0.00 0.00 -1.51 0.00 0.00 54.79 52.95 2kha n ASP 88 Cb 0.34 -4.89 0.00 0.00 2.34 0.00 0.00 41.12 38.91 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 -1.20 0.50 2.38 0.27 0.00 -1.26 -5.01 105.19 100.88 2kha n GLY 89 Ca -0.15 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 -0.76 -4.88 0.99 4.77 -1.21 -5.13 117.00 110.77 2kha n LEU 90 Ca 0.00 -4.25 -0.30 0.00 -0.03 0.00 0.00 56.01 51.43 2kha n LEU 90 Cb 0.37 0.63 0.01 0.00 -2.33 0.00 0.00 43.42 42.10 2kha n LEU 90 CO 0.00 1.96 0.65 -0.83 -1.33 0.00 0.00 177.39 177.84 2kha s GLY 91 N -0.50 1.61 0.02 -0.72 0.00 -1.25 -2.26 107.32 104.23 2kha s GLY 91 Ca 0.33 -0.24 -0.18 0.00 0.00 0.00 0.00 44.72 44.64 2kha s GLY 91 CO -0.15 0.01 0.39 -0.19 0.00 0.00 0.00 173.10 173.16 2kha s TYR 92 N -3.08 -0.25 0.03 1.90 2.02 -0.93 -4.94 117.35 112.09 2kha s TYR 92 Ca 0.53 0.28 0.02 0.00 -0.37 0.00 0.00 57.07 57.53 2kha s TYR 92 Cb -0.11 0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.62 2kha s TYR 92 CO 0.51 -0.51 -0.07 -0.98 -1.57 0.00 0.00 175.55 172.92 2kha s ARG 93 N -2.06 0.51 -1.00 -0.62 3.03 -1.25 -0.99 118.95 116.57 2kha s ARG 93 Ca -0.08 -0.57 -0.04 0.00 2.03 0.00 0.00 55.73 57.07 2kha s ARG 93 Cb -0.02 -0.36 0.27 0.00 -1.03 0.00 0.00 34.95 33.82 2kha s ARG 93 CO 0.00 0.08 1.13 0.94 -1.13 0.00 0.00 175.30 176.32 2kha n GLN 94 N 1.96 3.56 -1.78 3.89 7.27 -0.77 -4.73 117.38 126.78 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 -2.47 0.16 0.00 2.41 0.00 0.00 30.24 30.90 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 -0.55 3.22 -1.86 1.69 1.47 -1.26 -2.57 116.67 116.80 2kha s ASP 95 Ca 0.31 0.51 0.00 0.00 1.18 0.00 0.00 52.55 54.55 2kha s ASP 95 Cb -0.01 -0.74 0.00 0.00 -0.34 0.00 0.00 42.92 41.83 2kha s ASP 95 CO -0.02 -2.69 0.00 -3.20 0.68 0.00 0.00 175.17 169.94 2kha n ASN 96 N -3.78 -5.54 -4.82 2.11 2.85 -1.19 -4.92 115.26 99.97 2kha n ASN 96 Ca 0.12 0.43 -0.31 0.00 -0.11 0.00 0.00 54.58 54.72 2kha n ASN 96 Cb 0.60 -4.58 0.06 0.00 1.24 0.00 0.00 39.78 37.10 2kha n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2kha s GLY 97 N -2.67 1.65 -0.10 8.20 0.00 -0.47 -4.92 107.32 109.01 2kha s GLY 97 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 44.72 44.48 2kha s GLY 97 CO 0.00 0.31 0.50 1.85 0.00 0.00 0.00 173.10 175.76 2kha s GLU 98 N -5.10 0.74 0.14 2.90 2.12 -1.26 -2.19 118.70 116.05 2kha s GLU 98 Ca 0.59 0.34 -0.02 0.00 0.36 0.00 0.00 54.97 56.23 2kha s GLU 98 Cb -0.14 0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 2kha s GLU 98 CO 0.55 -0.17 0.10 -0.46 -0.54 0.00 0.00 175.26 174.73 2kha s TRP 99 N -0.57 0.83 0.29 5.30 -0.00 -0.96 -4.95 118.94 118.89 2kha s TRP 99 Ca -0.07 -1.19 0.09 0.00 -0.00 0.00 0.00 56.10 54.93 2kha s TRP 99 Cb -0.03 -0.43 -0.04 0.00 -0.00 0.00 0.00 33.47 32.97 2kha s TRP 99 CO 0.04 -0.57 0.09 -0.08 -0.00 0.00 0.00 176.95 176.44 2kha s THR 100 N -4.05 3.45 -0.02 5.86 -1.32 -1.26 0.12 115.64 118.43 2kha s THR 100 Ca 0.25 -1.74 0.02 0.00 -1.21 0.00 0.00 61.69 59.02 2kha s THR 100 Cb 0.07 -2.99 0.03 0.00 -1.51 0.00 0.00 72.50 68.10 2kha s THR 100 CO 0.03 -0.29 0.93 0.52 -2.21 0.00 0.00 174.62 173.59 2kha n VAL 101 N -1.05 0.89 0.65 5.08 0.31 -0.60 -4.71 118.33 118.90 2kha n VAL 101 Ca -0.05 -0.93 0.09 0.00 -0.01 0.00 0.00 64.34 63.44 2kha n VAL 101 Cb 0.60 0.50 0.41 0.00 -0.91 0.00 0.00 33.84 34.44 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 -0.50 0.69 -5.02 2.52 -1.04 -1.26 -3.26 114.28 106.41 2kha n THR 102 Ca 0.02 0.17 -0.28 0.00 -2.04 0.00 0.00 64.05 61.92 2kha n THR 102 Cb 0.36 -0.85 -0.15 0.00 -1.82 0.00 0.00 70.33 67.86 2kha n THR 102 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2kha s GLU 103 N -3.01 1.74 -0.10 -2.82 2.02 -1.26 -4.75 118.70 110.52 2kha s GLU 103 Ca 0.09 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.28 2kha s GLU 103 Cb 0.12 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.64 2kha s GLU 103 CO 0.35 0.47 -0.21 -0.06 0.02 0.00 0.00 175.26 175.83 2kha s PHE 104 N -0.58 2.30 0.39 1.61 0.08 -1.26 -3.91 117.98 116.60 2kha s PHE 104 Ca 0.09 -0.95 0.06 0.00 0.12 0.00 0.00 56.93 56.24 2kha s PHE 104 Cb -0.09 -1.56 -0.00 0.00 -0.57 0.00 0.00 43.02 40.80 2kha s PHE 104 CO -0.00 -0.41 0.54 0.14 -0.10 0.00 0.00 175.22 175.39 2kha s VAL 105 N 0.48 3.67 0.49 -0.44 -7.23 0.37 -1.50 120.40 116.23 2kha s VAL 105 Ca -0.17 -0.92 -0.16 0.00 -1.81 0.00 0.00 61.98 58.93 2kha s VAL 105 Cb -0.17 -3.27 -0.08 0.00 0.56 0.00 0.00 36.38 33.41 2kha s VAL 105 CO 0.07 -0.12 0.94 0.21 -0.31 0.00 0.00 175.10 175.88 2kha s ASN 106 N -4.24 6.63 0.42 4.85 2.47 1.12 -2.71 114.94 123.48 2kha s ASN 106 Ca 0.49 1.49 0.23 0.00 0.42 0.00 0.00 52.86 55.50 2kha s ASN 106 Cb -0.10 -2.47 1.27 0.00 -1.45 0.00 0.00 41.25 38.50 2kha s ASN 106 CO 0.33 -0.53 1.68 -0.33 -3.72 0.00 0.00 177.10 174.53 2kha h GLU 107 N 1.06 0.00 -0.03 0.43 4.39 -1.87 0.69 114.58 119.25 2kha h GLU 107 Ca -0.47 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.07 2kha h GLU 107 Cb 1.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2kha h GLU 107 CO 0.62 0.00 -0.71 -0.44 -1.16 0.00 0.00 179.01 177.32 2kha h ASP 108 N 0.00 0.18 0.00 1.42 5.19 -1.98 -3.47 116.42 117.76 2kha h ASP 108 Ca 0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2kha h ASP 108 Cb 0.30 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2kha h ASP 108 CO 0.00 0.84 0.00 0.61 -3.12 0.00 0.00 179.24 177.57 2kha n GLY 109 N 0.51 1.91 3.29 2.75 0.00 0.24 -5.14 105.19 108.75 2kha n GLY 109 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 0.70 -0.16 2.61 -4.23 -1.23 -4.87 115.64 106.45 2kha s THR 110 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 2kha s THR 110 Cb 0.00 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 2kha s THR 110 CO 0.00 -0.26 1.45 -2.16 -0.54 0.00 0.00 174.62 173.11 2kha s PRO 111 N -3.95 4.10 -0.36 3.99 0.04 -1.26 0.36 135.00 137.91 2kha s PRO 111 Ca 0.30 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 63.08 2kha s PRO 111 Cb 0.07 -3.90 0.24 0.00 0.04 0.00 0.00 34.50 30.95 2kha s PRO 111 CO 0.09 -0.91 1.12 0.00 0.04 0.00 0.00 177.00 177.34 2kha n ALA 112 N 7.24 -3.36 -1.77 8.56 0.00 -0.56 -4.77 120.51 125.84 2kha n ALA 112 Ca 0.16 -0.30 -0.37 0.00 0.00 0.00 0.00 53.44 52.92 2kha n ALA 112 Cb 0.44 -2.98 -0.02 0.00 0.00 0.00 0.00 19.45 16.90 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 0.17 6.39 0.03 0.00 2.15 -0.68 -4.27 116.67 120.47 2kha s ASP 113 Ca 0.26 2.26 -0.25 0.00 0.43 0.00 0.00 52.55 55.25 2kha s ASP 113 Cb 0.16 -2.60 -0.17 0.00 -0.30 0.00 0.00 42.92 40.01 2kha s ASP 113 CO -0.10 -0.76 1.44 0.71 -0.17 0.00 0.00 175.17 176.29 2kha h THR 114 N 2.07 0.99 -2.49 1.71 1.35 -1.95 -3.40 112.91 111.19 2kha h THR 114 Ca -0.49 -0.53 -0.54 0.00 -0.55 0.00 0.00 66.41 64.30 2kha h THR 114 Cb 1.24 1.32 -0.04 0.00 -1.73 0.00 0.00 68.15 68.94 2kha h THR 114 CO 0.61 0.13 1.27 -0.44 -0.25 0.00 0.00 175.52 176.84 2kha s SER 115 N -5.26 5.72 -0.37 5.36 0.01 -1.26 -4.82 113.70 113.08 2kha s SER 115 Ca -0.15 0.79 -0.05 0.00 1.31 0.00 0.00 55.95 57.86 2kha s SER 115 Cb 0.03 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 63.93 2kha s SER 115 CO 0.63 -1.94 1.00 -0.22 0.41 0.00 0.00 173.24 173.13 2kha s LEU 116 N 7.50 -0.54 0.53 2.44 2.96 -1.26 -5.13 118.68 125.18 2kha s LEU 116 Ca 0.70 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 2kha s LEU 116 Cb -0.17 0.70 0.00 0.00 0.50 0.00 0.00 46.19 47.23 2kha s LEU 116 CO 0.28 -0.03 0.00 -0.62 -1.32 0.00 0.00 176.35 174.65 2kha n GLU 117 N 3.06 -3.83 0.00 1.98 1.02 -1.26 -5.16 120.64 116.45 2kha n GLU 117 Ca 0.11 2.95 0.09 0.00 -0.02 0.00 0.00 57.16 60.29 2kha n GLU 117 Cb 0.63 -3.63 0.53 0.00 -0.02 0.00 0.00 31.44 28.95 2kha n GLU 117 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96