#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekx s SER 2 N 0.00 0.42 0.61 1.61 0.01 -1.26 -5.16 113.70 109.94 2ekx s SER 2 Ca 0.00 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.19 2ekx s SER 2 Cb 0.00 -0.08 0.05 0.00 0.21 0.00 0.00 66.02 66.20 2ekx s SER 2 CO 0.00 0.02 0.87 -0.55 0.41 0.00 0.00 173.24 173.99 2ekx s SER 3 N 0.09 5.06 -0.20 2.44 0.15 -1.26 -5.10 113.70 114.89 2ekx s SER 3 Ca -0.01 0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.73 2ekx s SER 3 Cb -0.03 -0.90 0.07 0.00 -1.71 0.00 0.00 66.02 63.44 2ekx s SER 3 CO -0.00 -1.34 0.07 -0.83 1.20 0.00 0.00 173.24 172.34 2ekx s GLY 4 N -4.47 0.55 -0.30 9.45 0.00 -1.26 -5.10 107.32 106.19 2ekx s GLY 4 Ca 0.59 -0.62 -0.40 0.00 0.00 0.00 0.00 44.72 44.29 2ekx s GLY 4 CO 0.41 1.63 1.81 1.44 0.00 0.00 0.00 173.10 178.39 2ekx n SER 5 N 5.16 2.33 -4.32 1.64 7.64 -1.26 -4.93 113.62 119.88 2ekx n SER 5 Ca -0.07 0.99 -0.34 0.00 1.01 0.00 0.00 58.87 60.46 2ekx n SER 5 Cb 0.47 -1.15 -0.14 0.00 -1.01 0.00 0.00 64.21 62.38 2ekx n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ekx s SER 6 N 4.06 4.02 0.00 6.43 0.15 -1.26 -5.01 113.70 122.10 2ekx s SER 6 Ca 1.00 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2ekx s SER 6 Cb -1.06 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2ekx s SER 6 CO 0.64 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.76 2ekx n GLY 7 N 4.17 3.77 0.28 9.45 0.00 -1.26 -4.83 105.19 116.76 2ekx n GLY 7 Ca -0.18 -1.17 0.03 0.00 0.00 0.00 0.00 46.02 44.70 2ekx n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ekx h LEU 8 N 0.00 0.47 -0.84 0.99 3.38 -1.97 -2.02 115.31 115.31 2ekx h LEU 8 Ca 0.00 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.21 2ekx h LEU 8 Cb 0.00 -0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 2ekx h LEU 8 CO 0.00 0.24 -0.24 -2.24 0.09 0.00 0.00 178.44 176.30 2ekx h ASP 9 N 0.60 -0.88 -0.77 -0.43 2.03 -1.92 -0.80 116.42 114.25 2ekx h ASP 9 Ca 0.38 0.26 0.08 0.00 -0.73 0.00 0.00 57.03 57.03 2ekx h ASP 9 Cb 0.46 0.55 -0.10 0.00 -0.83 0.00 0.00 39.33 39.41 2ekx h ASP 9 CO -0.30 -0.28 -0.41 0.47 -1.03 0.00 0.00 179.24 177.68 2ekx n ASP 10 N -5.53 -0.72 -4.14 4.15 8.00 -0.76 -4.46 116.55 113.08 2ekx n ASP 10 Ca 0.12 1.36 -0.31 0.00 0.71 0.00 0.00 54.79 56.66 2ekx n ASP 10 Cb 0.42 -0.21 0.15 0.00 -0.02 0.00 0.00 41.12 41.46 2ekx n ASP 10 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2ekx n TYR 11 N -5.01 -1.53 -0.07 1.24 4.01 -0.31 -5.00 117.16 110.49 2ekx n TYR 11 Ca 0.03 0.18 -0.08 0.00 -0.16 0.00 0.00 57.90 57.87 2ekx n TYR 11 Cb 0.23 -1.51 -0.03 0.00 -0.31 0.00 0.00 39.34 37.72 2ekx n TYR 11 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2ekx n ASP 12 N -1.04 1.78 -0.30 7.72 8.00 -1.26 -4.55 116.55 126.90 2ekx n ASP 12 Ca 0.01 0.30 0.19 0.00 0.71 0.00 0.00 54.79 56.00 2ekx n ASP 12 Cb 0.61 -0.69 0.37 0.00 -0.02 0.00 0.00 41.12 41.38 2ekx n ASP 12 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2ekx n TRP 13 N -4.29 0.76 -1.53 1.24 4.27 -1.26 -4.09 117.44 112.54 2ekx n TRP 13 Ca -0.12 1.05 -0.31 0.00 -3.89 0.00 0.00 57.50 54.23 2ekx n TRP 13 Cb 0.45 -1.28 -0.09 0.00 -1.36 0.00 0.00 31.31 29.03 2ekx n TRP 13 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 2ekx n PHE 14 N -5.16 0.98 -0.03 -2.67 7.35 -1.26 -2.75 117.46 113.92 2ekx n PHE 14 Ca 0.26 0.14 -0.13 0.00 -0.76 0.00 0.00 57.45 56.96 2ekx n PHE 14 Cb 0.87 -2.31 -0.09 0.00 0.35 0.00 0.00 39.48 38.30 2ekx n PHE 14 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ekx h ALA 15 N 15.26 0.08 0.00 3.13 0.00 0.12 -3.47 119.26 134.39 2ekx h ALA 15 Ca -0.11 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ekx h ALA 15 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ekx h ALA 15 CO 1.24 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.84 2ekx n GLY 16 N 0.42 0.52 3.49 0.00 0.00 -0.79 -4.91 105.19 103.92 2ekx n GLY 16 Ca -0.08 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 2ekx n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ekx s ASN 17 N -4.00 6.29 0.38 1.61 2.47 -1.26 -1.05 114.94 119.38 2ekx s ASN 17 Ca 0.00 -0.56 0.04 0.00 0.42 0.00 0.00 52.86 52.75 2ekx s ASN 17 Cb 0.00 -2.36 -0.03 0.00 -1.45 0.00 0.00 41.25 37.41 2ekx s ASN 17 CO 0.00 -1.01 0.12 0.27 -3.72 0.00 0.00 177.10 172.76 2ekx s ILE 18 N 3.21 0.70 0.34 -5.21 -4.36 -1.26 -5.04 121.20 109.58 2ekx s ILE 18 Ca 0.23 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.70 2ekx s ILE 18 Cb -0.15 -2.47 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 2ekx s ILE 18 CO 0.16 0.00 0.28 -0.55 0.24 0.00 0.00 174.94 175.08 2ekx s SER 19 N -3.55 5.21 0.62 4.36 0.15 -1.26 -4.94 113.70 114.29 2ekx s SER 19 Ca 0.28 -0.54 0.39 0.00 0.70 0.00 0.00 55.95 56.78 2ekx s SER 19 Cb 0.04 -0.92 2.03 0.00 -1.71 0.00 0.00 66.02 65.47 2ekx s SER 19 CO 0.15 -0.37 2.24 0.08 1.20 0.00 0.00 173.24 176.54 2ekx h ARG 20 N 1.26 0.00 0.10 5.44 0.11 -2.02 -1.55 114.38 117.72 2ekx h ARG 20 Ca -0.44 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.28 2ekx h ARG 20 Cb 1.25 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.31 2ekx h ARG 20 CO 0.59 0.02 -1.98 0.43 0.10 0.00 0.00 179.97 179.13 2ekx n SER 21 N -3.23 1.89 0.27 0.08 7.64 -1.26 -4.17 113.62 114.84 2ekx n SER 21 Ca -0.02 0.23 -0.11 0.00 1.01 0.00 0.00 58.87 59.97 2ekx n SER 21 Cb 0.14 -0.69 -0.05 0.00 -1.01 0.00 0.00 64.21 62.60 2ekx n SER 21 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2ekx h GLN 22 N 0.06 -0.70 -0.78 1.43 1.08 -1.83 -1.30 115.11 113.06 2ekx h GLN 22 Ca -0.41 0.05 0.23 0.00 -1.45 0.00 0.00 58.65 57.07 2ekx h GLN 22 Cb 2.03 0.16 -0.14 0.00 -0.05 0.00 0.00 27.48 29.47 2ekx h GLN 22 CO 0.08 -0.47 0.07 -1.13 -0.95 0.00 0.00 178.83 176.44 2ekx n SER 23 N -4.63 -0.04 0.00 1.46 3.41 -0.63 0.68 113.62 113.88 2ekx n SER 23 Ca -0.09 1.32 -0.13 0.00 -0.26 0.00 0.00 58.87 59.71 2ekx n SER 23 Cb 0.29 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.64 2ekx n SER 23 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ekx h GLU 24 N 0.00 -0.07 0.26 4.33 5.08 -1.71 -2.78 114.58 119.69 2ekx h GLU 24 Ca 0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.86 2ekx h GLU 24 Cb 1.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2ekx h GLU 24 CO -0.71 0.45 -0.29 1.96 -1.00 0.00 0.00 179.01 179.41 2ekx h GLN 25 N -0.63 -0.54 -0.63 2.33 1.08 0.15 -2.81 115.11 114.07 2ekx h GLN 25 Ca -0.01 0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.31 2ekx h GLN 25 Cb 0.55 0.12 -0.11 0.00 -0.05 0.00 0.00 27.48 27.99 2ekx h GLN 25 CO 0.01 -0.36 -0.49 -0.07 -0.95 0.00 0.00 178.83 176.98 2ekx h LEU 26 N -0.56 -1.69 -0.95 1.46 3.38 -0.67 0.28 115.31 116.56 2ekx h LEU 26 Ca -0.03 0.26 0.34 0.00 0.09 0.00 0.00 57.88 58.54 2ekx h LEU 26 Cb 0.49 0.75 -0.17 0.00 0.09 0.00 0.00 40.66 41.82 2ekx h LEU 26 CO -0.05 -0.33 0.29 0.18 0.09 0.00 0.00 178.44 178.61 2ekx n LEU 27 N -5.38 0.13 -0.05 1.67 4.77 -1.05 -0.28 117.00 116.81 2ekx n LEU 27 Ca 0.01 1.60 -0.13 0.00 -0.03 0.00 0.00 56.01 57.46 2ekx n LEU 27 Cb 0.34 -0.69 -0.12 0.00 -2.33 0.00 0.00 43.42 40.62 2ekx n LEU 27 CO -0.04 -1.71 0.42 0.03 -1.33 0.00 0.00 177.39 174.76 2ekx h ARG 28 N 0.00 -0.01 -0.95 3.23 3.08 -0.33 -3.32 114.38 116.08 2ekx h ARG 28 Ca 0.70 0.00 0.28 0.00 0.07 0.00 0.00 59.98 61.04 2ekx h ARG 28 Cb 1.70 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.59 2ekx h ARG 28 CO -0.81 0.83 0.19 1.96 -1.07 0.00 0.00 179.97 181.07 2ekx h GLN 29 N -0.89 0.07 -0.77 0.04 7.50 0.21 0.50 115.11 121.77 2ekx h GLN 29 Ca -0.00 -0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.25 2ekx h GLN 29 Cb 0.84 -0.02 -0.12 0.00 0.05 0.00 0.00 27.48 28.23 2ekx h GLN 29 CO 0.00 0.05 -0.47 -0.22 -1.50 0.00 0.00 178.83 176.69 2ekx h LYS 30 N 0.08 -0.12 -0.29 1.46 1.63 -1.25 -3.46 116.57 114.61 2ekx h LYS 30 Ca 0.63 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.43 2ekx h LYS 30 Cb 1.36 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 2ekx h LYS 30 CO -0.80 -0.08 0.00 0.41 -3.45 0.00 0.00 179.45 175.53 2ekx n GLY 31 N -1.38 0.93 3.13 5.01 0.00 0.17 -5.12 105.19 107.92 2ekx n GLY 31 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2ekx n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ekx s LYS 32 N -1.16 0.76 0.20 1.61 1.02 -1.26 -5.16 119.74 115.75 2ekx s LYS 32 Ca 0.00 -1.31 -0.04 0.00 0.02 0.00 0.00 55.97 54.64 2ekx s LYS 32 Cb 0.00 0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 37.34 2ekx s LYS 32 CO 0.00 -0.12 0.43 -1.21 -0.92 0.00 0.00 175.35 173.53 2ekx s GLU 33 N -3.93 3.61 -1.79 1.68 0.41 -1.26 -4.21 118.70 113.21 2ekx s GLU 33 Ca 0.13 -0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.57 2ekx s GLU 33 Cb 0.07 -2.79 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 2ekx s GLU 33 CO -0.05 0.38 0.00 0.41 -0.49 0.00 0.00 175.26 175.51 2ekx n GLY 34 N -0.37 0.48 3.74 -1.39 0.00 -1.26 -4.23 105.19 102.16 2ekx n GLY 34 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2ekx n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekx s ALA 35 N -2.80 3.55 0.27 4.61 0.00 -1.25 -1.00 121.76 125.13 2ekx s ALA 35 Ca 0.00 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.15 2ekx s ALA 35 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 2ekx s ALA 35 CO 0.00 -0.58 0.00 -0.59 0.00 0.00 0.00 175.76 174.59 2ekx s PHE 36 N 0.14 1.77 0.29 0.00 -0.71 -0.25 -0.04 117.98 119.17 2ekx s PHE 36 Ca 0.58 -0.88 -0.17 0.00 -1.04 0.00 0.00 56.93 55.41 2ekx s PHE 36 Cb -0.37 -1.06 0.02 0.00 -1.21 0.00 0.00 43.02 40.39 2ekx s PHE 36 CO 0.39 0.05 0.65 0.00 -1.34 0.00 0.00 175.22 174.96 2ekx s MET 37 N -3.84 1.78 -0.07 1.99 0.23 -1.20 -0.53 119.30 117.66 2ekx s MET 37 Ca 0.31 -1.15 -0.05 0.00 -1.03 0.00 0.00 55.69 53.77 2ekx s MET 37 Cb 0.06 0.56 0.02 0.00 -1.53 0.00 0.00 34.83 33.95 2ekx s MET 37 CO 0.11 -0.79 0.17 0.08 -2.03 0.00 0.00 175.02 172.56 2ekx s VAL 38 N -3.73 -0.01 0.43 5.16 1.01 -1.11 -3.24 120.40 118.91 2ekx s VAL 38 Ca 0.16 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.22 2ekx s VAL 38 Cb -0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 2ekx s VAL 38 CO 0.09 0.02 0.03 0.00 0.00 0.00 0.00 175.10 175.24 2ekx s ARG 39 N 0.39 1.98 -0.21 2.72 1.70 -1.00 0.15 118.95 124.68 2ekx s ARG 39 Ca -0.02 -2.18 -0.09 0.00 -0.47 0.00 0.00 55.73 52.96 2ekx s ARG 39 Cb -0.04 -1.32 -0.04 0.00 -0.57 0.00 0.00 34.95 32.98 2ekx s ARG 39 CO -0.02 -0.24 0.10 0.54 -1.08 0.00 0.00 175.30 174.61 2ekx s ASN 40 N -3.71 5.78 0.41 -2.89 2.20 -0.21 -3.47 114.94 113.04 2ekx s ASN 40 Ca 0.24 0.06 -0.23 0.00 -0.94 0.00 0.00 52.86 51.99 2ekx s ASN 40 Cb 0.06 -2.02 -0.09 0.00 -2.00 0.00 0.00 41.25 37.20 2ekx s ASN 40 CO 0.12 0.11 1.02 -0.44 -2.94 0.00 0.00 177.10 174.97 2ekx s SER 41 N 0.78 6.78 0.15 3.54 0.01 -1.25 -4.81 113.70 118.90 2ekx s SER 41 Ca 0.05 1.95 -0.25 0.00 1.31 0.00 0.00 55.95 59.01 2ekx s SER 41 Cb -0.13 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.54 2ekx s SER 41 CO 0.02 -0.48 1.60 0.77 0.41 0.00 0.00 173.24 175.56 2ekx h SER 42 N 2.34 -1.13 -3.22 2.44 4.64 -1.98 -3.37 113.55 113.26 2ekx h SER 42 Ca -0.48 0.18 -0.57 0.00 -0.47 0.00 0.00 61.79 60.45 2ekx h SER 42 Cb 1.21 0.50 -0.05 0.00 -0.31 0.00 0.00 62.40 63.75 2ekx h SER 42 CO 0.62 -0.35 0.93 -1.58 -0.87 0.00 0.00 176.83 175.58 2ekx s GLN 43 N -5.97 3.95 0.61 4.77 0.74 -1.26 -4.98 119.66 117.52 2ekx s GLN 43 Ca -0.15 1.16 -0.18 0.00 0.05 0.00 0.00 55.36 56.25 2ekx s GLN 43 Cb 0.12 -3.84 -0.11 0.00 1.10 0.00 0.00 33.01 30.28 2ekx s GLN 43 CO 0.67 -1.07 0.15 1.55 -0.55 0.00 0.00 175.29 176.03 2ekx n VAL 44 N 6.15 1.06 0.00 1.34 3.14 -1.26 -2.23 118.33 126.53 2ekx n VAL 44 Ca 0.14 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 2ekx n VAL 44 Cb 0.47 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 2ekx n VAL 44 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ekx n GLY 45 N 2.19 2.27 3.85 7.55 0.00 -1.26 -5.00 105.19 114.79 2ekx n GLY 45 Ca 0.09 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 2ekx n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ekx s MET 46 N 0.00 3.19 -0.17 1.61 -1.94 -0.95 -5.05 119.30 115.99 2ekx s MET 46 Ca 0.00 0.80 -0.19 0.00 -1.71 0.00 0.00 55.69 54.59 2ekx s MET 46 Cb 0.00 -2.03 0.05 0.00 2.01 0.00 0.00 34.83 34.86 2ekx s MET 46 CO 0.00 -0.88 0.52 0.71 -0.01 0.00 0.00 175.02 175.36 2ekx s TYR 47 N -3.14 -0.55 0.05 -0.03 2.02 -1.26 -3.79 117.35 110.65 2ekx s TYR 47 Ca 0.57 1.31 0.05 0.00 -0.37 0.00 0.00 57.07 58.63 2ekx s TYR 47 Cb -0.12 0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.60 2ekx s TYR 47 CO 0.54 -0.30 -0.10 0.99 -1.57 0.00 0.00 175.55 175.11 2ekx s THR 48 N 0.08 3.41 -0.28 -0.71 2.01 -1.23 -0.61 115.64 118.31 2ekx s THR 48 Ca -0.02 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 60.93 2ekx s THR 48 Cb -0.04 -2.53 0.09 0.00 0.01 0.00 0.00 72.50 70.03 2ekx s THR 48 CO 0.02 0.26 0.07 -0.69 -0.69 0.00 0.00 174.62 173.59 2ekx s VAL 49 N -1.09 0.89 -0.40 3.82 1.01 -0.14 -2.37 120.40 122.13 2ekx s VAL 49 Ca 0.19 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 2ekx s VAL 49 Cb -0.11 -1.58 0.07 0.00 0.00 0.00 0.00 36.38 34.75 2ekx s VAL 49 CO 0.10 -0.54 0.22 -0.44 0.00 0.00 0.00 175.10 174.43 2ekx s SER 50 N 1.63 5.55 0.11 3.32 0.01 -1.20 -1.72 113.70 121.40 2ekx s SER 50 Ca 0.07 -1.40 0.05 0.00 1.31 0.00 0.00 55.95 55.97 2ekx s SER 50 Cb -0.17 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 2ekx s SER 50 CO -0.20 -0.47 0.05 -1.48 0.41 0.00 0.00 173.24 171.54 2ekx s LEU 51 N 1.42 3.60 0.19 2.44 0.05 -0.77 -3.25 118.68 122.36 2ekx s LEU 51 Ca 0.02 -0.15 -0.02 0.00 0.05 0.00 0.00 54.13 54.03 2ekx s LEU 51 Cb -0.22 -2.29 -0.05 0.00 -2.05 0.00 0.00 46.19 41.59 2ekx s LEU 51 CO 0.02 0.14 0.39 0.12 -0.55 0.00 0.00 176.35 176.47 2ekx s PHE 52 N -1.48 3.48 -0.28 3.48 5.36 0.94 -1.45 117.98 128.04 2ekx s PHE 52 Ca 0.28 0.40 -0.21 0.00 -0.96 0.00 0.00 56.93 56.44 2ekx s PHE 52 Cb -0.11 -1.90 0.13 0.00 -0.34 0.00 0.00 43.02 40.80 2ekx s PHE 52 CO 0.20 0.39 0.97 0.45 -1.46 0.00 0.00 175.22 175.77 2ekx s SER 53 N -2.98 -0.53 -0.15 6.13 0.15 -1.25 -3.92 113.70 111.15 2ekx s SER 53 Ca 0.39 0.92 -0.01 0.00 0.70 0.00 0.00 55.95 57.96 2ekx s SER 53 Cb -0.11 1.07 -0.01 0.00 -1.71 0.00 0.00 66.02 65.26 2ekx s SER 53 CO 0.28 -0.15 -0.11 -0.75 1.20 0.00 0.00 173.24 173.71 2ekx s LYS 54 N 0.79 3.38 0.63 5.44 2.47 -1.26 -3.46 119.74 127.72 2ekx s LYS 54 Ca -0.03 -0.67 -0.15 0.00 -1.56 0.00 0.00 55.97 53.57 2ekx s LYS 54 Cb -0.04 -2.73 -0.02 0.00 -1.46 0.00 0.00 37.83 33.58 2ekx s LYS 54 CO -0.11 0.11 1.07 0.00 0.16 0.00 0.00 175.35 176.58 2ekx s ALA 55 N 0.64 2.67 0.26 3.13 0.00 -1.26 -4.91 121.76 122.29 2ekx s ALA 55 Ca -0.06 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 2ekx s ALA 55 Cb -0.15 -3.24 0.52 0.00 0.00 0.00 0.00 23.12 20.25 2ekx s ALA 55 CO 0.03 -0.99 1.39 0.28 0.00 0.00 0.00 175.76 176.46 2ekx n VAL 56 N -2.34 -0.37 -3.71 0.00 0.31 -1.26 -3.91 118.33 107.04 2ekx n VAL 56 Ca 0.09 2.00 -0.26 0.00 -0.01 0.00 0.00 64.34 66.16 2ekx n VAL 56 Cb 0.53 -2.83 -0.17 0.00 -0.91 0.00 0.00 33.84 30.46 2ekx n VAL 56 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2ekx s ASN 57 N -5.14 2.41 -0.08 4.52 -0.87 -1.26 -5.13 114.94 109.40 2ekx s ASN 57 Ca -0.13 -0.57 -0.23 0.00 -1.57 0.00 0.00 52.86 50.37 2ekx s ASN 57 Cb 0.25 -0.47 0.05 0.00 -0.02 0.00 0.00 41.25 41.06 2ekx s ASN 57 CO 0.69 -0.29 0.53 -0.62 -2.57 0.00 0.00 177.10 174.84 2ekx s ASP 58 N 1.96 -0.48 0.05 -1.22 2.15 -1.25 -5.06 116.67 112.81 2ekx s ASP 58 Ca 0.01 0.60 -0.21 0.00 0.43 0.00 0.00 52.55 53.38 2ekx s ASP 58 Cb -0.16 0.60 -0.13 0.00 -0.30 0.00 0.00 42.92 42.94 2ekx s ASP 58 CO -0.07 -0.46 1.47 0.50 -0.17 0.00 0.00 175.17 176.44 2ekx h LYS 59 N 3.83 0.28 -3.53 4.34 1.63 -2.00 -3.44 116.57 117.67 2ekx h LYS 59 Ca -0.28 -0.10 -0.29 0.00 -0.85 0.00 0.00 60.65 59.13 2ekx h LYS 59 Cb 1.16 -0.02 -0.33 0.00 -0.60 0.00 0.00 32.23 32.44 2ekx h LYS 59 CO 0.34 0.53 -0.72 -1.59 -3.45 0.00 0.00 179.45 174.55 2ekx s LYS 60 N -4.87 -0.03 0.17 1.90 -2.85 -1.26 -5.12 119.74 107.68 2ekx s LYS 60 Ca -0.14 0.18 -0.33 0.00 -1.00 0.00 0.00 55.97 54.67 2ekx s LYS 60 Cb 0.06 -0.22 -0.14 0.00 -2.06 0.00 0.00 37.83 35.46 2ekx s LYS 60 CO 0.72 -0.15 1.43 0.41 0.10 0.00 0.00 175.35 177.86 2ekx n GLY 61 N 4.07 0.77 3.56 0.59 0.00 -1.26 -4.97 105.19 107.96 2ekx n GLY 61 Ca -0.26 0.60 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 2ekx n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ekx s THR 62 N 0.40 4.36 0.10 2.61 2.01 -1.22 -5.00 115.64 118.90 2ekx s THR 62 Ca 0.76 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.36 2ekx s THR 62 Cb -0.74 -2.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 2ekx s THR 62 CO 0.45 0.47 0.64 -0.69 -0.69 0.00 0.00 174.62 174.80 2ekx s VAL 63 N 0.44 4.63 -0.10 3.82 1.01 -1.26 -3.79 120.40 125.15 2ekx s VAL 63 Ca 0.00 1.39 -0.04 0.00 0.00 0.00 0.00 61.98 63.33 2ekx s VAL 63 Cb -0.13 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2ekx s VAL 63 CO 0.02 0.53 0.06 -0.54 0.00 0.00 0.00 175.10 175.17 2ekx s LYS 64 N -1.01 3.19 0.06 2.72 3.01 -0.53 -5.00 119.74 122.19 2ekx s LYS 64 Ca 0.32 -0.29 0.06 0.00 -1.01 0.00 0.00 55.97 55.05 2ekx s LYS 64 Cb -0.21 -2.97 -0.04 0.00 -1.01 0.00 0.00 37.83 33.61 2ekx s LYS 64 CO 0.21 0.73 -0.10 -3.38 0.51 0.00 0.00 175.35 173.33 2ekx s HIS 65 N -0.94 2.76 -0.21 3.18 -3.43 -1.26 -1.84 115.29 113.55 2ekx s HIS 65 Ca 0.14 -0.14 -0.04 0.00 -0.80 0.00 0.00 55.06 54.23 2ekx s HIS 65 Cb -0.12 -1.49 0.10 0.00 -1.43 0.00 0.00 32.58 29.65 2ekx s HIS 65 CO 0.03 0.38 0.30 0.71 -2.00 0.00 0.00 174.74 174.16 2ekx s TYR 66 N -1.11 -0.55 0.08 0.38 2.02 -0.70 -4.99 117.35 112.48 2ekx s TYR 66 Ca 0.19 0.65 -0.21 0.00 -0.37 0.00 0.00 57.07 57.34 2ekx s TYR 66 Cb -0.11 -0.12 -0.07 0.00 -0.40 0.00 0.00 41.96 41.26 2ekx s TYR 66 CO 0.11 -0.60 0.62 -1.01 -1.57 0.00 0.00 175.55 173.09 2ekx s HIS 67 N 2.44 3.80 -0.11 2.71 3.76 -1.26 -0.97 115.29 125.67 2ekx s HIS 67 Ca 0.08 1.34 -0.29 0.00 -0.15 0.00 0.00 55.06 56.04 2ekx s HIS 67 Cb -0.15 -2.58 -0.01 0.00 1.11 0.00 0.00 32.58 30.95 2ekx s HIS 67 CO -0.13 0.52 0.97 0.08 -0.85 0.00 0.00 174.74 175.33 2ekx s VAL 68 N -0.91 4.81 -0.15 -0.90 1.01 0.22 -4.73 120.40 119.74 2ekx s VAL 68 Ca 0.31 1.96 -0.03 0.00 0.00 0.00 0.00 61.98 64.22 2ekx s VAL 68 Cb -0.20 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 2ekx s VAL 68 CO 0.20 0.02 -0.06 -1.00 0.00 0.00 0.00 175.10 174.26 2ekx s HIS 69 N 1.96 2.97 0.37 5.22 3.76 -0.93 -4.48 115.29 124.16 2ekx s HIS 69 Ca 0.46 -0.38 -0.13 0.00 -0.15 0.00 0.00 55.06 54.87 2ekx s HIS 69 Cb -0.18 -1.93 -0.08 0.00 1.11 0.00 0.00 32.58 31.51 2ekx s HIS 69 CO 0.17 -0.07 0.76 0.99 -0.85 0.00 0.00 174.74 175.73 2ekx s THR 70 N 0.35 4.74 0.37 1.30 2.01 -1.26 -3.35 115.64 119.80 2ekx s THR 70 Ca -0.06 0.77 0.04 0.00 0.31 0.00 0.00 61.69 62.76 2ekx s THR 70 Cb -0.15 -3.68 0.04 0.00 0.01 0.00 0.00 72.50 68.73 2ekx s THR 70 CO 0.04 -0.37 0.37 -3.20 -0.69 0.00 0.00 174.62 170.77 2ekx n ASN 71 N -0.88 1.85 -0.18 3.53 5.15 0.21 -4.87 115.26 120.07 2ekx n ASN 71 Ca 0.03 -2.15 -0.03 0.00 -0.60 0.00 0.00 54.58 51.83 2ekx n ASN 71 Cb 0.54 -0.13 0.17 0.00 -0.53 0.00 0.00 39.78 39.83 2ekx n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ekx h ALA 72 N 0.52 1.23 -0.53 5.20 0.00 -1.99 -2.11 119.26 121.58 2ekx h ALA 72 Ca -0.21 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.27 2ekx h ALA 72 Cb 0.83 -0.26 -0.15 0.00 0.00 0.00 0.00 17.79 18.21 2ekx h ALA 72 CO 0.32 0.56 0.33 0.39 0.00 0.00 0.00 179.25 180.85 2ekx n GLU 73 N -4.30 1.87 -3.74 0.00 1.02 -1.26 -4.85 120.64 109.38 2ekx n GLU 73 Ca 0.05 -1.70 -0.25 0.00 -0.02 0.00 0.00 57.16 55.25 2ekx n GLU 73 Cb 0.18 -1.69 0.04 0.00 -0.02 0.00 0.00 31.44 29.95 2ekx n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ekx n ASN 74 N -0.34 -3.67 -4.73 1.62 3.02 -0.79 -4.96 115.26 105.41 2ekx n ASN 74 Ca 0.32 -0.73 -0.35 0.00 -0.03 0.00 0.00 54.58 53.78 2ekx n ASN 74 Cb 1.12 -4.28 -0.08 0.00 -0.61 0.00 0.00 39.78 35.93 2ekx n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ekx s LYS 75 N -6.23 4.20 0.14 3.52 -0.14 -1.26 -4.79 119.74 115.19 2ekx s LYS 75 Ca 0.37 -0.14 -0.02 0.00 -1.36 0.00 0.00 55.97 54.82 2ekx s LYS 75 Cb -0.18 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.49 2ekx s LYS 75 CO 0.80 0.27 0.34 -0.51 -0.76 0.00 0.00 175.35 175.49 2ekx s LEU 76 N 0.42 4.28 -0.20 3.17 1.43 -1.26 -0.62 118.68 125.90 2ekx s LEU 76 Ca 0.10 0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 2ekx s LEU 76 Cb -0.12 -3.19 0.14 0.00 0.03 0.00 0.00 46.19 43.06 2ekx s LEU 76 CO -0.00 0.06 1.09 -0.72 0.23 0.00 0.00 176.35 177.01 2ekx s TYR 77 N -1.68 -0.29 -0.17 0.29 1.13 -1.21 -2.56 117.35 112.86 2ekx s TYR 77 Ca 0.39 0.52 -0.01 0.00 -1.41 0.00 0.00 57.07 56.55 2ekx s TYR 77 Cb -0.12 0.46 -0.23 0.00 -1.10 0.00 0.00 41.96 40.97 2ekx s TYR 77 CO 0.27 -0.26 0.15 1.28 -2.51 0.00 0.00 175.55 174.48 2ekx n LEU 78 N 0.77 2.52 -4.71 -3.49 4.77 -1.26 -2.20 117.00 113.41 2ekx n LEU 78 Ca -0.08 0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 2ekx n LEU 78 Cb 0.58 -0.88 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 2ekx n LEU 78 CO 0.13 0.84 -0.31 0.00 -1.33 0.00 0.00 177.39 176.72 2ekx s ALA 79 N -2.54 3.35 0.46 -1.18 0.00 -1.26 -4.73 121.76 115.85 2ekx s ALA 79 Ca -0.25 -1.17 -0.23 0.00 0.00 0.00 0.00 51.96 50.31 2ekx s ALA 79 Cb 0.08 -1.21 -0.07 0.00 0.00 0.00 0.00 23.12 21.91 2ekx s ALA 79 CO 0.71 0.63 1.15 -1.21 0.00 0.00 0.00 175.76 177.05 2ekx s GLU 80 N -2.57 3.76 -0.68 0.00 2.02 -1.26 -3.30 118.70 116.67 2ekx s GLU 80 Ca 0.27 1.73 -0.00 0.00 0.02 0.00 0.00 54.97 56.99 2ekx s GLU 80 Cb -0.11 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.74 2ekx s GLU 80 CO 0.20 -0.54 0.00 0.09 0.02 0.00 0.00 175.26 175.03 2ekx n ASN 81 N -0.53 -2.89 -3.92 -0.19 3.02 -1.26 -5.03 115.26 104.46 2ekx n ASN 81 Ca 0.07 -0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.52 2ekx n ASN 81 Cb 0.49 -2.19 -0.10 0.00 -0.61 0.00 0.00 39.78 37.36 2ekx n ASN 81 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2ekx s TYR 82 N -2.41 0.16 -0.09 3.10 2.02 -1.21 -5.16 117.35 113.77 2ekx s TYR 82 Ca 0.00 -0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 56.30 2ekx s TYR 82 Cb -0.00 -0.12 0.04 0.00 -0.40 0.00 0.00 41.96 41.48 2ekx s TYR 82 CO 0.00 -0.28 0.19 0.00 -1.57 0.00 0.00 175.55 173.89 2ekx s PHE 84 N 1.34 1.99 -0.07 0.00 0.08 -1.06 -5.06 117.98 115.19 2ekx s PHE 84 Ca -0.08 -0.88 -0.24 0.00 0.12 0.00 0.00 56.93 55.84 2ekx s PHE 84 Cb -0.11 -1.67 -0.26 0.00 -0.57 0.00 0.00 43.02 40.40 2ekx s PHE 84 CO -0.07 0.22 0.93 0.22 -0.10 0.00 0.00 175.22 176.42 2ekx h ASP 85 N 1.39 0.26 -5.20 1.36 1.82 -1.86 -3.40 116.42 110.79 2ekx h ASP 85 Ca -0.43 -0.88 0.07 0.00 -0.39 0.00 0.00 57.03 55.40 2ekx h ASP 85 Cb 1.30 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 2ekx h ASP 85 CO 0.74 1.12 0.42 -0.44 -1.61 0.00 0.00 179.24 179.47 2ekx s SER 86 N -6.51 -0.01 0.07 2.28 0.01 -1.26 -4.85 113.70 103.43 2ekx s SER 86 Ca -0.16 -0.90 -0.35 0.00 1.31 0.00 0.00 55.95 55.86 2ekx s SER 86 Cb 0.00 0.68 -0.19 0.00 0.21 0.00 0.00 66.02 66.72 2ekx s SER 86 CO 0.76 -1.34 1.60 0.40 0.41 0.00 0.00 173.24 175.07 2ekx h ILE 87 N 2.00 0.17 0.00 1.44 5.03 -1.95 0.44 117.51 124.64 2ekx h ILE 87 Ca -0.30 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.44 2ekx h ILE 87 Cb 1.23 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 35.20 2ekx h ILE 87 CO 0.38 0.00 0.00 1.55 -0.68 0.00 0.00 178.15 179.40 2ekx h PRO 88 N -1.08 0.00 0.00 2.37 0.13 -2.01 -2.39 132.00 129.02 2ekx h PRO 88 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2ekx h PRO 88 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2ekx h PRO 88 CO 0.14 0.00 -0.97 1.63 -0.23 0.00 0.00 178.00 178.58 2ekx n LYS 89 N -2.69 0.26 -0.01 0.86 5.02 -1.03 -4.00 118.16 116.57 2ekx n LYS 89 Ca 0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 2ekx n LYS 89 Cb 0.26 -1.59 -0.14 0.00 -0.02 0.00 0.00 35.03 33.54 2ekx n LYS 89 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2ekx n LEU 90 N -1.94 1.67 0.11 -0.35 0.00 0.15 -4.21 117.00 112.43 2ekx n LEU 90 Ca 0.02 0.33 -0.13 0.00 0.00 0.00 0.00 56.01 56.23 2ekx n LEU 90 Cb 0.43 -0.41 -0.08 0.00 0.00 0.00 0.00 43.42 43.36 2ekx n LEU 90 CO 0.40 0.59 0.75 0.40 0.00 0.00 0.00 177.39 179.54 2ekx h ILE 91 N 0.03 0.89 -0.89 1.96 1.08 -1.63 -2.05 117.51 116.90 2ekx h ILE 91 Ca -0.34 -0.23 0.23 0.00 -0.39 0.00 0.00 64.86 64.12 2ekx h ILE 91 Cb 2.02 1.03 -0.16 0.00 -3.07 0.00 0.00 36.82 36.65 2ekx h ILE 91 CO 0.09 0.06 0.05 -0.74 -0.69 0.00 0.00 178.15 176.91 2ekx h HIS 92 N -0.34 0.01 0.00 1.37 2.76 -1.75 1.14 115.15 118.34 2ekx h HIS 92 Ca -0.02 0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.11 2ekx h HIS 92 Cb 0.26 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2ekx h HIS 92 CO -0.03 -0.33 -0.49 1.88 -1.30 0.00 0.00 177.93 177.66 2ekx h TYR 93 N 0.08 0.00 0.00 5.26 0.05 -1.69 -2.60 116.97 118.07 2ekx h TYR 93 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.30 2ekx h TYR 93 Cb 1.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.77 2ekx h TYR 93 CO -0.44 0.49 0.00 0.45 -1.05 0.00 0.00 178.16 177.61 2ekx h HIS 94 N 0.00 0.00 0.00 4.88 3.86 0.20 0.22 115.15 124.30 2ekx h HIS 94 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ekx h HIS 94 Cb 0.92 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.39 2ekx h HIS 94 CO 0.00 0.00 -0.22 1.04 0.86 0.00 0.00 177.93 179.61 2ekx n GLN 95 N -2.32 0.03 0.00 2.45 6.02 -0.04 -2.60 117.38 120.92 2ekx n GLN 95 Ca 0.04 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2ekx n GLN 95 Cb 0.33 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.06 2ekx n GLN 95 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2ekx n HIS 96 N -1.58 0.00 -3.88 1.08 8.25 -1.03 -4.75 115.22 113.31 2ekx n HIS 96 Ca 0.06 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.25 2ekx n HIS 96 Cb 0.35 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.29 2ekx n HIS 96 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2ekx s ASN 97 N -4.39 2.38 0.74 0.41 0.01 0.73 -5.08 114.94 109.74 2ekx s ASN 97 Ca 0.00 -0.43 -0.11 0.00 -0.71 0.00 0.00 52.86 51.60 2ekx s ASN 97 Cb 0.00 -0.81 0.04 0.00 0.41 0.00 0.00 41.25 40.89 2ekx s ASN 97 CO 0.00 -0.16 1.09 -0.55 -1.51 0.00 0.00 177.10 175.97 2ekx s SER 98 N 1.72 4.72 -0.58 -1.22 0.15 -1.26 -3.92 113.70 113.30 2ekx s SER 98 Ca 0.03 1.83 0.06 0.00 0.70 0.00 0.00 55.95 58.57 2ekx s SER 98 Cb -0.14 -2.52 0.26 0.00 -1.71 0.00 0.00 66.02 61.91 2ekx s SER 98 CO -0.08 -1.89 0.73 0.00 1.20 0.00 0.00 173.24 173.20 2ekx n ALA 99 N -3.28 3.76 0.00 5.45 0.00 -1.26 -5.05 120.51 120.13 2ekx n ALA 99 Ca 0.09 -4.46 0.00 0.00 0.00 0.00 0.00 53.44 49.07 2ekx n ALA 99 Cb 0.53 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2ekx n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ekx n GLY 100 N 0.80 0.00 0.31 0.00 0.00 -1.26 -4.46 105.19 100.59 2ekx n GLY 100 Ca 0.28 -1.95 0.21 0.00 0.00 0.00 0.00 46.02 44.56 2ekx n GLY 100 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2ekx h MET 101 N 0.00 0.00 -5.52 1.61 2.86 -2.02 -3.42 114.93 108.44 2ekx h MET 101 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 2ekx h MET 101 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2ekx h MET 101 CO 0.00 0.00 1.64 -0.89 1.06 0.00 0.00 176.91 178.73 2ekx n ILE 102 N -3.10 -0.03 -1.55 -1.22 5.41 -1.26 -4.86 119.36 112.75 2ekx n ILE 102 Ca -0.02 -0.58 -0.46 0.00 1.00 0.00 0.00 62.75 62.70 2ekx n ILE 102 Cb 0.17 -2.22 -0.02 0.00 -0.71 0.00 0.00 39.64 36.86 2ekx n ILE 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2ekx n THR 103 N 7.83 1.81 -1.71 1.39 -1.04 -1.26 -4.36 114.28 116.94 2ekx n THR 103 Ca 0.43 -0.45 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 2ekx n THR 103 Cb 0.41 -0.80 -0.01 0.00 -1.82 0.00 0.00 70.33 68.11 2ekx n THR 103 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2ekx n ARG 104 N 0.94 2.22 -2.61 -2.82 1.74 -1.26 -4.91 116.66 109.96 2ekx n ARG 104 Ca 0.12 0.78 -0.43 0.00 -0.77 0.00 0.00 57.85 57.55 2ekx n ARG 104 Cb 0.29 -2.41 -0.02 0.00 -1.02 0.00 0.00 32.46 29.30 2ekx n ARG 104 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ekx s LEU 105 N -0.89 3.76 -0.10 0.55 1.43 -1.07 -4.85 118.68 117.50 2ekx s LEU 105 Ca 0.58 0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 54.36 2ekx s LEU 105 Cb -0.57 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.10 2ekx s LEU 105 CO 0.59 -1.10 -0.07 0.03 0.23 0.00 0.00 176.35 176.03 2ekx h ARG 106 N 8.77 0.00 -4.18 1.70 3.08 -1.32 -3.41 114.38 119.02 2ekx h ARG 106 Ca -0.22 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.59 2ekx h ARG 106 Cb 1.06 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.88 2ekx h ARG 106 CO 1.09 0.00 -0.72 -1.01 -1.07 0.00 0.00 179.97 178.26 2ekx s HIS 107 N -1.74 0.39 1.09 3.04 3.76 -1.19 -5.01 115.29 115.63 2ekx s HIS 107 Ca -0.05 -0.38 -0.15 0.00 -0.15 0.00 0.00 55.06 54.33 2ekx s HIS 107 Cb 0.01 -0.25 0.23 0.00 1.11 0.00 0.00 32.58 33.68 2ekx s HIS 107 CO 0.08 -0.10 1.10 -1.25 -0.85 0.00 0.00 174.74 173.72 2ekx s PRO 108 N -1.09 -0.31 -0.25 8.40 0.04 -1.26 -1.09 135.00 139.43 2ekx s PRO 108 Ca -0.09 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.04 2ekx s PRO 108 Cb -0.07 -1.67 0.07 0.00 0.04 0.00 0.00 34.50 32.87 2ekx s PRO 108 CO -0.00 -3.17 0.64 0.08 0.04 0.00 0.00 177.00 174.58 2ekx s VAL 109 N -2.98 -0.00 0.00 -0.36 1.01 0.31 -4.56 120.40 113.81 2ekx s VAL 109 Ca 0.68 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2ekx s VAL 109 Cb -0.15 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2ekx s VAL 109 CO 0.57 0.01 0.00 -0.24 0.00 0.00 0.00 175.10 175.44