#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 2.19 0.27 2.61 5.04 -1.26 -5.09 117.35 121.11 2kha s TYR 7 Ca 0.00 0.62 0.09 0.00 -2.44 0.00 0.00 57.07 55.34 2kha s TYR 7 Cb 0.00 -3.65 -0.04 0.00 0.35 0.00 0.00 41.96 38.62 2kha s TYR 7 CO 0.00 -2.40 0.07 0.08 -1.34 0.00 0.00 175.55 171.96 2kha s VAL 8 N -3.54 3.66 0.18 3.14 1.01 -1.26 -4.93 120.40 118.67 2kha s VAL 8 Ca 0.67 -1.75 -0.31 0.00 0.00 0.00 0.00 61.98 60.59 2kha s VAL 8 Cb -0.10 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.18 2kha s VAL 8 CO 0.52 -0.34 1.45 0.54 0.00 0.00 0.00 175.10 177.27 2kha s VAL 9 N -2.29 2.86 0.99 2.92 0.11 -1.26 -5.00 120.40 118.73 2kha s VAL 9 Ca 0.33 0.66 -0.17 0.00 -2.93 0.00 0.00 61.98 59.87 2kha s VAL 9 Cb -0.06 -3.42 0.25 0.00 -1.53 0.00 0.00 36.38 31.62 2kha s VAL 9 CO 0.22 0.07 0.70 -2.65 -3.33 0.00 0.00 175.10 170.11 2kha n PRO 10 N 3.27 -3.46 -3.97 1.54 -0.02 -1.26 -4.84 135.00 126.26 2kha n PRO 10 Ca 0.10 -1.15 -0.35 0.00 -2.02 0.00 0.00 63.50 60.08 2kha n PRO 10 Cb 0.40 -1.30 -0.13 0.00 -0.02 0.00 0.00 33.50 32.46 2kha n PRO 10 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kha s SER 11 N -3.16 4.80 -0.48 2.55 0.15 -1.26 -4.73 113.70 111.57 2kha s SER 11 Ca 0.50 -0.24 -0.28 0.00 0.70 0.00 0.00 55.95 56.63 2kha s SER 11 Cb -0.07 -1.83 0.03 0.00 -1.71 0.00 0.00 66.02 62.44 2kha s SER 11 CO 0.40 0.03 1.10 0.00 1.20 0.00 0.00 173.24 175.96 2kha s ALA 12 N 1.23 3.16 -0.55 5.45 0.00 -1.25 -4.04 121.76 125.77 2kha s ALA 12 Ca 0.04 -0.57 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 2kha s ALA 12 Cb -0.15 -3.85 0.09 0.00 0.00 0.00 0.00 23.12 19.21 2kha s ALA 12 CO 0.01 -2.25 0.64 0.15 0.00 0.00 0.00 175.76 174.32 2kha s LYS 13 N 4.34 3.06 0.47 0.00 1.02 0.31 -4.83 119.74 124.11 2kha s LYS 13 Ca 0.45 -1.20 -0.02 0.00 0.02 0.00 0.00 55.97 55.22 2kha s LYS 13 Cb -0.08 -4.20 -0.01 0.00 -0.52 0.00 0.00 37.83 33.02 2kha s LYS 13 CO 0.30 -1.38 0.73 -0.51 -0.92 0.00 0.00 175.35 173.58 2kha s LEU 14 N 2.52 3.61 -0.09 3.17 1.02 -1.26 -1.28 118.68 126.37 2kha s LEU 14 Ca 0.12 0.58 -0.08 0.00 0.02 0.00 0.00 54.13 54.76 2kha s LEU 14 Cb -0.23 -3.46 0.02 0.00 0.02 0.00 0.00 46.19 42.54 2kha s LEU 14 CO 0.08 -0.69 0.24 -1.61 0.02 0.00 0.00 176.35 174.39 2kha s GLU 15 N -4.66 0.28 -0.44 1.70 2.02 0.91 -4.92 118.70 113.58 2kha s GLU 15 Ca 0.48 0.31 -0.24 0.00 0.02 0.00 0.00 54.97 55.54 2kha s GLU 15 Cb -0.10 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.29 2kha s GLU 15 CO 0.41 -0.04 0.85 0.00 0.02 0.00 0.00 175.26 176.51 2kha s ALA 16 N 0.08 3.28 0.55 5.21 0.00 -1.26 -2.27 121.76 127.36 2kha s ALA 16 Ca -0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 2kha s ALA 16 Cb -0.02 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2kha s ALA 16 CO 0.00 -1.93 0.91 0.42 0.00 0.00 0.00 175.76 175.17 2kha s ILE 17 N 3.48 4.80 -0.01 0.00 -1.09 -1.19 0.13 121.20 127.32 2kha s ILE 17 Ca 0.33 0.58 0.07 0.00 -2.23 0.00 0.00 60.65 59.40 2kha s ILE 17 Cb -0.11 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 2kha s ILE 17 CO 0.24 -0.99 -0.23 -0.47 -1.23 0.00 0.00 174.94 172.26 2kha s TYR 18 N -2.95 2.03 -2.37 3.97 5.04 -1.26 -3.51 117.35 118.30 2kha s TYR 18 Ca 0.52 -0.38 0.25 0.00 -2.44 0.00 0.00 57.07 55.01 2kha s TYR 18 Cb -0.11 -1.29 0.99 0.00 0.35 0.00 0.00 41.96 41.90 2kha s TYR 18 CO 0.49 -0.01 1.70 -0.35 -1.34 0.00 0.00 175.55 176.04 2kha n PRO 19 N 2.40 1.63 -3.11 4.97 -0.05 -1.26 -4.82 135.00 134.76 2kha n PRO 19 Ca -0.16 -0.93 0.04 0.00 -0.05 0.00 0.00 63.50 62.41 2kha n PRO 19 Cb 0.52 -1.44 -0.00 0.00 -0.05 0.00 0.00 33.50 32.53 2kha n PRO 19 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 175.50 174.47 2kha s ARG 20 N -1.92 0.31 0.07 0.54 3.03 -1.24 -4.69 118.95 115.06 2kha s ARG 20 Ca 0.36 0.21 -0.06 0.00 2.03 0.00 0.00 55.73 58.26 2kha s ARG 20 Cb 0.19 0.11 0.02 0.00 -1.03 0.00 0.00 34.95 34.25 2kha s ARG 20 CO 0.31 -0.55 0.31 0.41 -1.13 0.00 0.00 175.30 174.65 2kha n GLY 21 N 4.99 1.22 3.47 3.88 0.00 -0.88 -4.16 105.19 113.70 2kha n GLY 21 Ca 0.08 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.26 -0.23 0.99 2.96 0.26 -3.19 118.68 119.20 2kha s LEU 22 Ca 0.07 1.16 -0.02 0.00 -0.22 0.00 0.00 54.13 55.12 2kha s LEU 22 Cb -0.01 1.93 0.07 0.00 0.50 0.00 0.00 46.19 48.69 2kha s LEU 22 CO 0.02 -0.20 0.05 -0.60 -1.32 0.00 0.00 176.35 174.30 2kha s ARG 23 N 0.59 0.70 0.20 1.98 3.52 -0.96 -0.61 118.95 124.38 2kha s ARG 23 Ca -0.02 -0.64 0.09 0.00 -0.13 0.00 0.00 55.73 55.03 2kha s ARG 23 Cb -0.05 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.25 2kha s ARG 23 CO -0.03 -0.76 -0.08 0.08 -0.81 0.00 0.00 175.30 173.70 2kha s VAL 24 N 1.78 3.23 -0.08 7.11 1.01 -0.91 -0.07 120.40 132.47 2kha s VAL 24 Ca 0.02 -1.73 -0.15 0.00 0.00 0.00 0.00 61.98 60.12 2kha s VAL 24 Cb -0.17 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.61 2kha s VAL 24 CO -0.14 -0.17 0.37 -0.44 0.00 0.00 0.00 175.10 174.72 2kha s SER 25 N -3.02 -0.33 -0.03 3.32 0.01 -0.40 -1.78 113.70 111.47 2kha s SER 25 Ca 0.26 0.47 -0.00 0.00 1.31 0.00 0.00 55.95 58.00 2kha s SER 25 Cb -0.08 0.57 0.03 0.00 0.21 0.00 0.00 66.02 66.74 2kha s SER 25 CO 0.16 -0.30 0.02 0.27 0.41 0.00 0.00 173.24 173.79 2kha s ILE 26 N -0.55 0.12 -0.72 1.44 -4.36 -1.03 0.11 121.20 116.21 2kha s ILE 26 Ca -0.07 0.17 -0.25 0.00 -0.26 0.00 0.00 60.65 60.24 2kha s ILE 26 Cb -0.04 -0.25 -0.13 0.00 1.25 0.00 0.00 42.46 43.29 2kha s ILE 26 CO 0.03 0.16 2.41 -0.81 0.24 0.00 0.00 174.94 176.97 2kha n PRO 27 N 4.46 0.66 -0.68 0.37 -0.04 -1.26 -2.22 135.00 136.29 2kha n PRO 27 Ca -0.20 -0.54 -0.31 0.00 -0.04 0.00 0.00 63.50 62.40 2kha n PRO 27 Cb 0.50 -3.43 0.17 0.00 -0.04 0.00 0.00 33.50 30.70 2kha n PRO 27 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kha n ASP 28 N 17.06 -0.27 -2.74 3.54 2.03 -0.14 -4.60 116.55 131.43 2kha n ASP 28 Ca 0.46 0.35 -0.04 0.00 0.52 0.00 0.00 54.79 56.08 2kha n ASP 28 Cb 0.44 -1.41 0.06 0.00 -0.72 0.00 0.00 41.12 39.49 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 -3.79 0.62 -2.06 1.67 2.03 -1.26 -4.81 116.55 108.95 2kha n ASP 29 Ca 0.10 -2.33 -0.10 0.00 0.52 0.00 0.00 54.79 52.98 2kha n ASP 29 Cb 0.53 -0.13 0.04 0.00 -0.72 0.00 0.00 41.12 40.84 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 -0.57 0.16 0.35 0.27 0.00 -1.26 -5.05 105.19 99.09 2kha n GLY 30 Ca 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.22 -3.56 0.00 1.61 3.72 -1.26 -4.79 117.46 109.95 2kha n PHE 31 Ca -0.05 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2kha n PHE 31 Cb 0.55 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 2kha n PHE 31 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2kha n SER 32 N -3.02 2.08 -3.86 4.37 3.41 1.22 -4.90 113.62 112.92 2kha n SER 32 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.48 2kha n SER 32 Cb 0.05 0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 2kha n SER 32 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kha s LEU 33 N -2.14 1.60 -0.35 1.04 2.96 -1.06 -4.59 118.68 116.14 2kha s LEU 33 Ca 0.00 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 2kha s LEU 33 Cb 0.00 -0.14 0.10 0.00 0.50 0.00 0.00 46.19 46.65 2kha s LEU 33 CO 0.00 -0.04 0.10 0.12 -1.32 0.00 0.00 176.35 175.21 2kha s PHE 34 N 0.45 2.79 -0.18 5.38 5.36 -0.58 0.12 117.98 131.31 2kha s PHE 34 Ca -0.04 -2.48 -0.17 0.00 -0.96 0.00 0.00 56.93 53.28 2kha s PHE 34 Cb -0.07 -2.37 -0.04 0.00 -0.34 0.00 0.00 43.02 40.21 2kha s PHE 34 CO -0.01 -0.90 0.46 0.00 -1.46 0.00 0.00 175.22 173.31 2kha s ALA 35 N 1.06 3.53 -0.18 11.12 0.00 0.41 -1.09 121.76 136.62 2kha s ALA 35 Ca 0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 2kha s ALA 35 Cb -0.19 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2kha s ALA 35 CO -0.14 -0.26 -0.13 0.12 0.00 0.00 0.00 175.76 175.35 2kha s PHE 36 N 1.23 2.83 -0.13 0.00 2.19 -1.03 0.13 117.98 123.20 2kha s PHE 36 Ca 0.22 -1.13 0.00 0.00 0.33 0.00 0.00 56.93 56.36 2kha s PHE 36 Cb -0.15 -1.95 0.02 0.00 -1.31 0.00 0.00 43.02 39.63 2kha s PHE 36 CO 0.09 -0.55 -0.11 -1.01 1.83 0.00 0.00 175.22 175.47 2kha s HIS 37 N 1.07 1.81 -0.17 10.12 3.76 -0.87 -1.99 115.29 129.02 2kha s HIS 37 Ca -0.00 -0.95 -0.12 0.00 -0.15 0.00 0.00 55.06 53.83 2kha s HIS 37 Cb -0.15 -1.40 0.05 0.00 1.11 0.00 0.00 32.58 32.20 2kha s HIS 37 CO -0.04 -0.57 0.42 0.20 -0.85 0.00 0.00 174.74 173.91 2kha s GLY 38 N 1.54 -0.33 0.04 -2.22 0.00 -0.62 -0.54 107.32 105.19 2kha s GLY 38 Ca 0.04 1.37 0.02 0.00 0.00 0.00 0.00 44.72 46.15 2kha s GLY 38 CO -0.09 1.36 0.06 1.25 0.00 0.00 0.00 173.10 175.68 2kha s LYS 39 N 0.79 2.89 -0.22 2.90 2.47 0.11 0.21 119.74 128.89 2kha s LYS 39 Ca -0.05 -0.63 -0.13 0.00 -1.56 0.00 0.00 55.97 53.60 2kha s LYS 39 Cb -0.05 -2.74 -0.04 0.00 -1.46 0.00 0.00 37.83 33.53 2kha s LYS 39 CO -0.06 0.60 0.28 -1.17 0.16 0.00 0.00 175.35 175.16 2kha s LEU 40 N -2.05 4.14 -1.12 5.43 2.96 -1.26 -2.23 118.68 124.55 2kha s LEU 40 Ca 0.25 0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 54.39 2kha s LEU 40 Cb -0.12 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 2kha s LEU 40 CO 0.17 -0.00 0.87 -3.20 -1.32 0.00 0.00 176.35 172.87 2kha n ASN 41 N 4.36 -5.18 0.00 3.68 5.15 -0.77 -4.99 115.26 117.51 2kha n ASN 41 Ca -0.12 -0.79 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 2kha n ASN 41 Cb 0.52 -4.62 0.00 0.00 -0.53 0.00 0.00 39.78 35.14 2kha n ASN 41 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2kha n GLU 42 N -3.69 0.00 -0.48 1.20 2.13 -1.26 -5.06 120.64 113.48 2kha n GLU 42 Ca -0.13 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.45 2kha n GLU 42 Cb 0.63 0.00 0.19 0.00 0.27 0.00 0.00 31.44 32.53 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 -2.78 -3.85 5.31 1.02 -1.26 -4.63 120.64 114.45 2kha n GLU 43 Ca 0.00 -0.82 -0.12 0.00 -0.02 0.00 0.00 57.16 56.20 2kha n GLU 43 Cb 0.00 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 29.63 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 -3.88 0.05 -0.35 3.49 -1.94 -1.26 -4.98 119.30 110.43 2kha s MET 44 Ca 0.49 0.08 0.14 0.00 -1.71 0.00 0.00 55.69 54.69 2kha s MET 44 Cb -0.10 -0.00 0.45 0.00 2.01 0.00 0.00 34.83 37.20 2kha s MET 44 CO 0.47 -0.02 1.03 -3.47 -0.01 0.00 0.00 175.02 173.02 2kha n ASP 45 N 3.17 2.64 0.00 3.03 -0.08 -1.26 -4.61 116.55 119.44 2kha n ASP 45 Ca -0.14 -2.99 0.00 0.00 -1.51 0.00 0.00 54.79 50.16 2kha n ASP 45 Cb 0.59 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.56 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 -0.29 -0.53 2.47 0.27 0.00 -1.26 -5.01 105.19 100.84 2kha n GLY 46 Ca 0.20 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 3.92 -4.85 0.99 4.77 -1.26 -4.97 117.00 115.60 2kha n LEU 47 Ca 0.00 -5.46 -0.35 0.00 -0.03 0.00 0.00 56.01 50.18 2kha n LEU 47 Cb 0.00 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.35 2kha n LEU 47 CO 0.00 2.06 0.20 -1.83 -1.33 0.00 0.00 177.39 176.49 2kha s GLU 48 N -2.56 3.91 0.59 3.23 -1.05 -1.26 -4.96 118.70 116.60 2kha s GLU 48 Ca 0.40 0.39 0.29 0.00 -0.15 0.00 0.00 54.97 55.90 2kha s GLU 48 Cb 0.15 -2.90 1.40 0.00 -0.44 0.00 0.00 34.13 32.35 2kha s GLU 48 CO -0.01 0.47 1.80 0.00 0.95 0.00 0.00 175.26 178.47 2kha h ALA 49 N 3.41 2.29 -0.34 -0.84 0.00 -1.99 -3.45 119.26 118.34 2kha h ALA 49 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kha h ALA 49 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kha h ALA 49 CO 0.66 -0.88 0.00 0.41 0.00 0.00 0.00 179.25 179.45 2kha n GLY 50 N -1.53 2.60 1.13 0.00 0.00 -1.26 -4.52 105.19 101.60 2kha n GLY 50 Ca 0.11 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 10.79 0.00 -2.06 1.61 -0.00 0.56 -4.73 115.22 121.39 2kha n HIS 51 Ca 0.00 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.91 2kha n HIS 51 Cb 0.00 0.26 -0.05 0.00 -0.12 0.00 0.00 29.99 30.08 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 -0.60 1.82 -0.54 1.57 0.51 0.12 -4.75 118.94 117.06 2kha s TRP 52 Ca 0.00 0.60 0.02 0.00 -2.12 0.00 0.00 56.10 54.61 2kha s TRP 52 Cb 0.00 -4.06 0.14 0.00 -0.81 0.00 0.00 33.47 28.74 2kha s TRP 52 CO 0.00 -1.77 0.30 0.00 -0.51 0.00 0.00 176.95 174.97 2kha s ALA 53 N 9.94 3.37 -0.09 0.98 0.00 -1.21 -1.59 121.76 133.16 2kha s ALA 53 Ca 0.69 -3.27 -0.04 0.00 0.00 0.00 0.00 51.96 49.34 2kha s ALA 53 Cb -0.07 -2.27 0.04 0.00 0.00 0.00 0.00 23.12 20.82 2kha s ALA 53 CO -0.00 -2.04 0.20 0.50 0.00 0.00 0.00 175.76 174.42 2kha s ARG 54 N -0.24 0.16 -0.20 0.00 3.52 -0.84 -5.00 118.95 116.33 2kha s ARG 54 Ca 0.17 0.46 -0.20 0.00 -0.13 0.00 0.00 55.73 56.03 2kha s ARG 54 Cb -0.25 -0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 32.97 2kha s ARG 54 CO -0.01 -0.16 0.58 0.16 -0.81 0.00 0.00 175.30 175.06 2kha s ASP 55 N 1.21 6.63 -0.05 -2.12 -4.77 -1.26 -2.45 116.67 113.85 2kha s ASP 55 Ca -0.09 0.76 -0.03 0.00 -3.30 0.00 0.00 52.55 49.89 2kha s ASP 55 Cb -0.11 -2.32 -0.04 0.00 -1.09 0.00 0.00 42.92 39.36 2kha s ASP 55 CO -0.07 -0.24 0.11 -0.63 0.70 0.00 0.00 175.17 175.04 2kha s ILE 56 N 1.82 5.06 -0.16 2.11 1.01 -0.25 -4.96 121.20 125.83 2kha s ILE 56 Ca 0.27 -0.15 0.20 0.00 0.00 0.00 0.00 60.65 60.97 2kha s ILE 56 Cb -0.16 -3.27 0.46 0.00 0.01 0.00 0.00 42.46 39.50 2kha s ILE 56 CO 0.10 0.46 1.16 0.35 0.00 0.00 0.00 174.94 177.01 2kha n THR 57 N 1.48 1.09 -3.19 2.92 -2.24 -1.26 -1.53 114.28 111.54 2kha n THR 57 Ca -0.15 -2.39 0.02 0.00 -2.27 0.00 0.00 64.05 59.25 2kha n THR 57 Cb 0.53 0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 69.39 2kha n THR 57 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kha s LYS 58 N -2.22 0.76 1.17 -0.78 -0.14 -1.26 -5.02 119.74 112.25 2kha s LYS 58 Ca 0.35 -0.11 -0.16 0.00 -1.36 0.00 0.00 55.97 54.69 2kha s LYS 58 Cb 0.37 0.13 0.21 0.00 -1.68 0.00 0.00 37.83 36.85 2kha s LYS 58 CO -0.08 -1.15 0.48 -2.30 -0.76 0.00 0.00 175.35 171.54 2kha n PRO 59 N 4.60 -2.17 -1.26 -1.68 -0.02 -1.26 -4.73 135.00 128.47 2kha n PRO 59 Ca 0.10 -0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 60.76 2kha n PRO 59 Cb 0.57 -1.91 0.13 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 -3.53 2.47 -1.44 -0.52 0.00 0.41 -4.89 118.16 110.67 2kha n LYS 60 Ca 0.01 -3.35 0.00 0.00 0.00 0.00 0.00 58.31 54.97 2kha n LYS 60 Cb 0.59 -2.11 0.00 0.00 0.00 0.00 0.00 35.03 33.51 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 -1.00 0.00 -0.65 1.64 4.07 -1.26 -4.33 120.64 119.11 2kha n GLU 61 Ca 0.49 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 58.07 2kha n GLU 61 Cb 1.06 -1.09 0.00 0.00 -0.06 0.00 0.00 31.44 31.35 2kha n GLU 61 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kha n GLY 62 N -0.13 0.77 3.51 8.31 0.00 -1.26 -4.91 105.19 111.48 2kha n GLY 62 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.36 0.55 0.59 1.61 1.81 -1.26 -0.97 118.95 120.92 2kha s ARG 63 Ca 0.00 1.19 -0.14 0.00 -1.72 0.00 0.00 55.73 55.05 2kha s ARG 63 Cb 0.00 0.36 -0.04 0.00 -0.45 0.00 0.00 34.95 34.82 2kha s ARG 63 CO 0.00 -0.18 1.03 -1.58 -0.68 0.00 0.00 175.30 173.88 2kha s TRP 64 N 2.14 3.30 -0.09 -0.53 0.52 -0.94 0.16 118.94 123.49 2kha s TRP 64 Ca -0.07 1.44 -0.01 0.00 0.02 0.00 0.00 56.10 57.47 2kha s TRP 64 Cb -0.09 -2.85 0.03 0.00 -1.15 0.00 0.00 33.47 29.41 2kha s TRP 64 CO -0.17 -0.80 -0.01 0.99 0.02 0.00 0.00 176.95 176.99 2kha s THR 65 N -2.76 0.48 -0.58 2.01 2.01 -1.26 -2.46 115.64 113.08 2kha s THR 65 Ca 0.59 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.54 2kha s THR 65 Cb -0.13 -0.66 0.15 0.00 0.01 0.00 0.00 72.50 71.88 2kha s THR 65 CO 0.42 0.23 0.41 0.12 -0.69 0.00 0.00 174.62 175.10 2kha s PHE 66 N 1.92 3.47 -0.03 4.92 5.36 -0.73 -4.96 117.98 127.93 2kha s PHE 66 Ca 0.04 -2.54 -0.13 0.00 -0.96 0.00 0.00 56.93 53.34 2kha s PHE 66 Cb -0.13 -3.27 -0.05 0.00 -0.34 0.00 0.00 43.02 39.22 2kha s PHE 66 CO -0.06 -0.89 0.36 1.03 -1.46 0.00 0.00 175.22 174.20 2kha s ARG 67 N 0.31 3.84 -0.22 10.12 0.52 -1.26 -2.14 118.95 130.11 2kha s ARG 67 Ca 0.14 0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 55.62 2kha s ARG 67 Cb -0.21 -3.22 0.08 0.00 0.52 0.00 0.00 34.95 32.12 2kha s ARG 67 CO -0.04 0.69 0.09 0.34 0.02 0.00 0.00 175.30 176.41 2kha s ASP 68 N -1.02 2.98 -0.13 0.23 -1.08 0.22 -4.95 116.67 112.92 2kha s ASP 68 Ca 0.22 -0.96 0.05 0.00 -0.52 0.00 0.00 52.55 51.35 2kha s ASP 68 Cb -0.16 -0.41 0.37 0.00 -1.46 0.00 0.00 42.92 41.26 2kha s ASP 68 CO 0.11 -0.37 1.16 -1.14 0.52 0.00 0.00 175.17 175.46 2kha n ARG 69 N 5.18 2.52 -1.53 4.34 0.63 -1.26 0.91 116.66 127.45 2kha n ARG 69 Ca -0.07 -1.45 0.03 0.00 -0.92 0.00 0.00 57.85 55.44 2kha n ARG 69 Cb 0.46 -1.78 0.06 0.00 0.45 0.00 0.00 32.46 31.65 2kha n ARG 69 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2kha n ASN 70 N 0.16 1.38 -4.20 6.15 5.15 -1.26 -4.73 115.26 117.91 2kha n ASN 70 Ca 0.17 -2.44 -0.36 0.00 -0.60 0.00 0.00 54.58 51.34 2kha n ASN 70 Cb 0.78 -0.37 -0.13 0.00 -0.53 0.00 0.00 39.78 39.53 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kha s ALA 71 N -1.29 2.92 -1.13 5.20 0.00 -1.25 -4.99 121.76 121.22 2kha s ALA 71 Ca 0.35 -1.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.23 2kha s ALA 71 Cb 0.38 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 2kha s ALA 71 CO -0.12 -1.36 1.82 0.21 0.00 0.00 0.00 175.76 176.31 2kha s LYS 72 N 1.28 3.03 -0.34 0.00 2.36 -1.26 -2.07 119.74 122.74 2kha s LYS 72 Ca -0.03 -1.19 -0.24 0.00 -2.55 0.00 0.00 55.97 51.97 2kha s LYS 72 Cb -0.20 -5.30 0.01 0.00 -1.05 0.00 0.00 37.83 31.29 2kha s LYS 72 CO -0.00 -3.19 0.83 -0.51 1.55 0.00 0.00 175.35 174.03 2kha s LEU 73 N 8.31 4.08 -0.16 5.43 1.43 -1.26 -5.04 118.68 131.47 2kha s LEU 73 Ca 0.62 0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 54.21 2kha s LEU 73 Cb -0.01 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2kha s LEU 73 CO 0.06 -0.72 0.04 -0.75 0.23 0.00 0.00 176.35 175.21 2kha s LYS 74 N 3.15 3.80 0.19 1.70 2.20 -1.26 -4.90 119.74 124.62 2kha s LYS 74 Ca 0.34 -0.37 -0.33 0.00 -0.36 0.00 0.00 55.97 55.25 2kha s LYS 74 Cb -0.13 -3.11 -0.15 0.00 -1.51 0.00 0.00 37.83 32.93 2kha s LYS 74 CO 0.16 0.34 1.34 -0.11 -0.36 0.00 0.00 175.35 176.71 2kha n LEU 75 N 3.32 2.42 0.00 5.43 0.00 -1.25 -1.67 117.00 125.25 2kha n LEU 75 Ca -0.17 1.13 0.00 0.00 0.00 0.00 0.00 56.01 56.97 2kha n LEU 75 Cb 0.52 -1.33 0.00 0.00 0.00 0.00 0.00 43.42 42.61 2kha n LEU 75 CO 0.34 -0.80 0.00 0.61 0.00 0.00 0.00 177.39 177.54 2kha n GLY 76 N 2.30 2.51 3.72 -3.96 0.00 -1.25 -4.84 105.19 103.68 2kha n GLY 76 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 0.55 3.64 0.28 1.61 -1.08 -0.67 -4.75 116.67 116.26 2kha s ASP 77 Ca 0.00 1.92 0.12 0.00 -0.52 0.00 0.00 52.55 54.06 2kha s ASP 77 Cb 0.00 -2.49 -0.05 0.00 -1.46 0.00 0.00 42.92 38.92 2kha s ASP 77 CO 0.00 -2.60 -0.18 -0.75 0.52 0.00 0.00 175.17 172.16 2kha s LYS 78 N -4.79 1.74 0.06 4.34 2.20 -1.26 -1.48 119.74 120.55 2kha s LYS 78 Ca 0.64 -1.75 0.07 0.00 -0.36 0.00 0.00 55.97 54.57 2kha s LYS 78 Cb -0.20 -1.80 -0.04 0.00 -1.51 0.00 0.00 37.83 34.29 2kha s LYS 78 CO 0.57 0.32 -0.15 0.42 -0.36 0.00 0.00 175.35 176.16 2kha s ILE 79 N -2.50 3.04 -0.08 5.43 1.09 0.18 -1.85 121.20 126.51 2kha s ILE 79 Ca 0.30 -1.20 -0.04 0.00 -1.10 0.00 0.00 60.65 58.62 2kha s ILE 79 Cb -0.05 -2.34 0.05 0.00 -1.06 0.00 0.00 42.46 39.06 2kha s ILE 79 CO 0.16 0.26 0.18 -0.31 -0.10 0.00 0.00 174.94 175.12 2kha s TYR 80 N -1.03 -0.22 0.16 3.97 1.51 -0.95 -2.02 117.35 118.78 2kha s TYR 80 Ca 0.17 0.63 -0.07 0.00 -1.01 0.00 0.00 57.07 56.79 2kha s TYR 80 Cb -0.11 -0.13 0.03 0.00 -0.11 0.00 0.00 41.96 41.64 2kha s TYR 80 CO 0.08 -0.24 0.36 1.97 -1.11 0.00 0.00 175.55 176.61 2kha n PHE 81 N 4.77 -1.51 -3.69 2.71 -1.74 -0.99 0.10 117.46 117.10 2kha n PHE 81 Ca -0.16 -0.77 -0.10 0.00 -0.56 0.00 0.00 57.45 55.85 2kha n PHE 81 Cb 0.51 0.39 -0.11 0.00 1.52 0.00 0.00 39.48 41.79 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 -5.82 -0.61 0.08 2.97 1.48 0.30 -1.32 118.94 116.02 2kha s TRP 82 Ca 0.07 1.28 0.04 0.00 -1.06 0.00 0.00 56.10 56.43 2kha s TRP 82 Cb -0.02 0.24 -0.04 0.00 -1.16 0.00 0.00 33.47 32.49 2kha s TRP 82 CO 0.05 -0.36 0.04 0.95 -4.06 0.00 0.00 176.95 173.56 2kha s THR 83 N 1.69 4.28 0.04 0.66 -4.23 -1.07 -2.04 115.64 114.97 2kha s THR 83 Ca -0.07 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 2kha s THR 83 Cb -0.09 -3.05 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 2kha s THR 83 CO -0.12 0.14 -0.12 -0.47 -0.54 0.00 0.00 174.62 173.50 2kha s TYR 84 N -1.34 1.08 0.17 3.99 5.04 0.34 0.95 117.35 127.59 2kha s TYR 84 Ca 0.27 -0.37 0.03 0.00 -2.44 0.00 0.00 57.07 54.57 2kha s TYR 84 Cb -0.12 -0.64 -0.05 0.00 0.35 0.00 0.00 41.96 41.51 2kha s TYR 84 CO 0.20 0.02 -0.05 0.54 -1.34 0.00 0.00 175.55 174.91 2kha s VAL 85 N -0.92 0.98 -0.11 3.14 0.11 -0.23 0.15 120.40 123.53 2kha s VAL 85 Ca -0.01 -2.03 -0.02 0.00 -2.93 0.00 0.00 61.98 57.00 2kha s VAL 85 Cb -0.08 -2.03 0.04 0.00 -1.53 0.00 0.00 36.38 32.78 2kha s VAL 85 CO 0.01 -0.58 0.00 -0.63 -3.33 0.00 0.00 175.10 170.57 2kha s ILE 86 N -3.45 0.50 -0.73 7.04 -1.09 0.31 -2.12 121.20 121.66 2kha s ILE 86 Ca 0.21 -0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.54 2kha s ILE 86 Cb 0.04 -0.74 0.30 0.00 -1.58 0.00 0.00 42.46 40.48 2kha s ILE 86 CO 0.03 0.14 1.07 1.17 -1.23 0.00 0.00 174.94 176.11 2kha n LYS 87 N 5.09 3.45 -2.60 2.79 4.81 -0.94 0.38 118.16 131.14 2kha n LYS 87 Ca -0.08 -4.73 -0.06 0.00 -0.87 0.00 0.00 58.31 52.57 2kha n LYS 87 Cb 0.49 -2.32 0.03 0.00 0.02 0.00 0.00 35.03 33.25 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 0.40 -5.37 -1.11 3.14 -0.08 -1.26 -3.67 116.55 108.60 2kha n ASP 88 Ca 0.32 -0.29 -0.10 0.00 -1.51 0.00 0.00 54.79 53.20 2kha n ASP 88 Cb 0.37 -3.70 -0.01 0.00 2.34 0.00 0.00 41.12 40.12 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 -1.40 0.14 2.45 0.27 0.00 -1.26 -4.97 105.19 100.43 2kha n GLY 89 Ca -0.03 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.42 -1.10 -4.93 0.99 4.77 -1.24 -5.14 117.00 108.93 2kha n LEU 90 Ca -0.12 -4.08 -0.25 0.00 -0.03 0.00 0.00 56.01 51.53 2kha n LEU 90 Cb 0.55 0.62 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 2kha n LEU 90 CO 0.14 1.92 0.33 -0.83 -1.33 0.00 0.00 177.39 177.62 2kha s GLY 91 N -0.07 1.46 -0.16 -0.72 0.00 -1.25 -2.22 107.32 104.36 2kha s GLY 91 Ca 0.33 -0.77 -0.15 0.00 0.00 0.00 0.00 44.72 44.13 2kha s GLY 91 CO -0.16 -0.63 0.44 -0.19 0.00 0.00 0.00 173.10 172.56 2kha s TYR 92 N -2.58 -0.49 0.05 1.90 2.02 -0.90 -4.94 117.35 112.42 2kha s TYR 92 Ca 0.45 1.18 0.08 0.00 -0.37 0.00 0.00 57.07 58.41 2kha s TYR 92 Cb -0.10 0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.60 2kha s TYR 92 CO 0.40 -0.24 -0.22 -0.98 -1.57 0.00 0.00 175.55 172.95 2kha s ARG 93 N 0.27 1.49 -1.10 -0.62 3.03 -1.24 -1.07 118.95 119.71 2kha s ARG 93 Ca -0.00 -1.01 -0.07 0.00 2.03 0.00 0.00 55.73 56.69 2kha s ARG 93 Cb -0.03 -1.64 0.29 0.00 -1.03 0.00 0.00 34.95 32.54 2kha s ARG 93 CO 0.00 0.42 1.27 0.94 -1.13 0.00 0.00 175.30 176.79 2kha n GLN 94 N 1.77 3.92 -1.92 3.89 7.27 0.27 -4.81 117.38 127.77 2kha n GLN 94 Ca -0.17 -4.50 -0.30 0.00 0.07 0.00 0.00 57.00 52.10 2kha n GLN 94 Cb 0.53 -2.53 0.17 0.00 2.41 0.00 0.00 30.24 30.82 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 -0.06 3.37 -2.05 1.69 -4.77 -1.26 -2.61 116.67 110.97 2kha s ASP 95 Ca 0.31 0.37 0.00 0.00 -3.30 0.00 0.00 52.55 49.93 2kha s ASP 95 Cb -0.03 -0.49 0.00 0.00 -1.09 0.00 0.00 42.92 41.30 2kha s ASP 95 CO -0.00 -2.58 0.00 -3.20 0.70 0.00 0.00 175.17 170.09 2kha n ASN 96 N -3.69 -5.29 -4.85 2.11 5.15 -1.17 -4.91 115.26 102.61 2kha n ASN 96 Ca 0.14 0.48 -0.30 0.00 -0.60 0.00 0.00 54.58 54.30 2kha n ASN 96 Cb 0.60 -4.63 0.07 0.00 -0.53 0.00 0.00 39.78 35.29 2kha n ASN 96 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2kha s GLY 97 N -2.67 1.62 0.14 8.20 0.00 -0.43 -4.92 107.32 109.26 2kha s GLY 97 Ca 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 44.72 44.20 2kha s GLY 97 CO 0.00 0.06 0.43 -1.83 0.00 0.00 0.00 173.10 171.76 2kha s GLU 98 N -5.32 1.14 0.21 2.90 -1.05 -1.26 -2.35 118.70 112.97 2kha s GLU 98 Ca 0.60 -0.74 -0.17 0.00 -0.15 0.00 0.00 54.97 54.51 2kha s GLU 98 Cb -0.12 0.48 0.02 0.00 -0.44 0.00 0.00 34.13 34.07 2kha s GLU 98 CO 0.52 -0.46 0.53 -0.46 0.95 0.00 0.00 175.26 176.34 2kha s TRP 99 N -3.82 -0.02 0.22 4.83 -0.00 -0.85 -4.94 118.94 114.35 2kha s TRP 99 Ca 0.05 -0.34 0.07 0.00 -0.00 0.00 0.00 56.10 55.88 2kha s TRP 99 Cb 0.01 0.38 -0.04 0.00 -0.00 0.00 0.00 33.47 33.82 2kha s TRP 99 CO -0.10 -0.96 0.14 -0.08 -0.00 0.00 0.00 176.95 175.95 2kha s THR 100 N -3.91 4.28 0.00 5.86 -1.32 -1.26 0.51 115.64 119.80 2kha s THR 100 Ca 0.12 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 2kha s THR 100 Cb -0.01 -3.26 0.00 0.00 -1.51 0.00 0.00 72.50 67.72 2kha s THR 100 CO 0.01 -0.26 0.30 0.52 -2.21 0.00 0.00 174.62 172.97 2kha n VAL 101 N -0.81 0.00 0.24 5.08 0.31 -0.55 -4.69 118.33 117.92 2kha n VAL 101 Ca -0.08 -0.44 0.14 0.00 -0.01 0.00 0.00 64.34 63.95 2kha n VAL 101 Cb 0.57 1.08 0.71 0.00 -0.91 0.00 0.00 33.84 35.28 2kha n VAL 101 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2kha h THR 102 N 0.08 0.00 -2.14 2.52 1.35 -1.84 -3.32 112.91 109.56 2kha h THR 102 Ca 0.00 -0.06 -0.57 0.00 -0.55 0.00 0.00 66.41 65.23 2kha h THR 102 Cb 0.04 0.71 -0.10 0.00 -1.73 0.00 0.00 68.15 67.07 2kha h THR 102 CO 0.00 0.00 -0.65 -1.83 -0.25 0.00 0.00 175.52 172.79 2kha s GLU 103 N -3.64 2.19 -0.01 4.72 -1.05 -1.26 -4.68 118.70 114.96 2kha s GLU 103 Ca -0.02 -1.52 0.01 0.00 -0.15 0.00 0.00 54.97 53.29 2kha s GLU 103 Cb 0.08 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.70 2kha s GLU 103 CO 0.29 0.31 -0.02 -0.06 0.95 0.00 0.00 175.26 176.73 2kha s PHE 104 N -2.38 0.24 0.00 4.83 0.08 -1.26 -4.25 117.98 115.24 2kha s PHE 104 Ca 0.32 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.34 2kha s PHE 104 Cb -0.05 -0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.20 2kha s PHE 104 CO 0.19 -0.03 0.00 1.33 -0.10 0.00 0.00 175.22 176.62 2kha n VAL 105 N 3.24 0.00 -4.54 -0.44 0.24 0.35 -2.92 118.33 114.25 2kha n VAL 105 Ca -0.15 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.84 2kha n VAL 105 Cb 0.57 -1.09 -0.12 0.00 -1.47 0.00 0.00 33.84 31.74 2kha n VAL 105 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2kha s ASN 106 N -1.00 4.05 0.66 -1.34 0.01 0.96 -4.16 114.94 114.12 2kha s ASN 106 Ca 0.00 -0.37 0.34 0.00 -0.71 0.00 0.00 52.86 52.12 2kha s ASN 106 Cb 0.00 -0.73 1.86 0.00 0.41 0.00 0.00 41.25 42.79 2kha s ASN 106 CO 0.00 0.25 2.04 -0.33 -1.51 0.00 0.00 177.10 177.55 2kha h GLU 107 N 4.38 0.00 0.00 -0.60 4.39 -1.87 0.84 114.58 121.72 2kha h GLU 107 Ca -0.48 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.15 2kha h GLU 107 Cb 1.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2kha h GLU 107 CO 0.49 0.00 -0.34 -0.44 -1.16 0.00 0.00 179.01 177.57 2kha h ASP 108 N 0.00 0.00 0.00 1.42 3.32 -2.01 -3.46 116.42 115.69 2kha h ASP 108 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kha h ASP 108 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2kha h ASP 108 CO 0.00 0.34 0.00 0.61 -1.72 0.00 0.00 179.24 178.47 2kha n GLY 109 N -0.49 1.95 3.13 2.75 0.00 0.29 -5.14 105.19 107.68 2kha n GLY 109 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.10 0.00 2.61 -4.23 -1.18 -4.91 115.64 106.03 2kha s THR 110 Ca 0.00 -0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 59.42 2kha s THR 110 Cb 0.00 -0.62 -0.37 0.00 1.34 0.00 0.00 72.50 72.86 2kha s THR 110 CO 0.00 -0.44 1.56 -2.65 -0.54 0.00 0.00 174.62 172.55 2kha n PRO 111 N 1.17 0.00 -0.88 3.99 -0.02 -1.26 0.32 135.00 138.32 2kha n PRO 111 Ca -0.21 -0.97 0.05 0.00 -2.02 0.00 0.00 63.50 60.35 2kha n PRO 111 Cb 0.57 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 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 8.84 -1.82 -3.62 3.55 0.00 -1.15 -4.79 120.51 121.52 2kha n ALA 112 Ca 0.45 0.43 -0.26 0.00 0.00 0.00 0.00 53.44 54.06 2kha n ALA 112 Cb 0.41 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.70 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 -5.21 2.52 -0.45 0.00 -1.08 -1.26 -4.84 116.67 106.35 2kha s ASP 113 Ca 0.00 -0.70 0.07 0.00 -0.52 0.00 0.00 52.55 51.40 2kha s ASP 113 Cb 0.00 -0.29 0.24 0.00 -1.46 0.00 0.00 42.92 41.41 2kha s ASP 113 CO 0.00 -0.35 0.55 1.07 0.52 0.00 0.00 175.17 176.95 2kha n THR 114 N 5.25 -0.08 -4.48 1.71 5.66 -1.26 -5.11 114.28 115.97 2kha n THR 114 Ca -0.07 -4.21 0.02 0.00 -3.05 0.00 0.00 64.05 56.74 2kha n THR 114 Cb 0.48 -1.96 -0.01 0.00 -1.55 0.00 0.00 70.33 67.29 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 1.46 -6.20 -3.38 1.09 2.88 -1.26 -4.69 113.62 103.52 2kha n SER 115 Ca 0.24 0.19 -0.27 0.00 -1.33 0.00 0.00 58.87 57.70 2kha n SER 115 Cb 0.50 -0.53 -0.10 0.00 -0.75 0.00 0.00 64.21 63.33 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 0.00 -0.25 -4.23 2.46 4.77 -1.26 -5.10 117.00 113.38 2kha n LEU 116 Ca 0.00 -4.45 -0.33 0.00 -0.03 0.00 0.00 56.01 51.21 2kha n LEU 116 Cb 0.08 0.51 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 2kha n LEU 116 CO 0.00 1.89 -0.53 -0.70 -1.33 0.00 0.00 177.39 176.72 2kha s GLU 117 N -0.18 3.11 0.00 3.23 2.12 -1.26 -5.35 118.70 120.38 2kha s GLU 117 Ca 0.33 -0.82 0.16 0.00 0.36 0.00 0.00 54.97 55.00 2kha s GLU 117 Cb 0.05 -2.45 0.95 0.00 0.26 0.00 0.00 34.13 32.94 2kha s GLU 117 CO -0.19 0.09 1.36 -0.35 -0.54 0.00 0.00 175.26 175.63