#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 3.97 0.45 1.61 1.04 -1.26 -5.11 113.70 114.41 2ekx s SER 2 Ca 0.00 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.95 2ekx s SER 2 Cb 0.00 -1.66 -0.03 0.00 0.10 0.00 0.00 66.02 64.43 2ekx s SER 2 CO 0.00 -0.03 0.04 -0.94 0.98 0.00 0.00 173.24 173.29 2ekx s SER 3 N 1.41 3.62 0.00 7.02 1.04 -1.26 -5.10 113.70 120.43 2ekx s SER 3 Ca 0.05 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 54.91 2ekx s SER 3 Cb -0.14 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2ekx s SER 3 CO -0.06 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2ekx n GLY 4 N -1.07 -0.29 4.01 7.32 0.00 -1.26 -5.05 105.19 108.86 2ekx n GLY 4 Ca -0.12 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 2ekx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ekx s SER 5 N -2.13 4.47 -0.55 1.61 1.04 -1.26 -5.05 113.70 111.83 2ekx s SER 5 Ca 0.00 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.82 2ekx s SER 5 Cb 0.00 0.29 0.14 0.00 0.10 0.00 0.00 66.02 66.55 2ekx s SER 5 CO 0.00 -1.80 0.31 -0.44 0.98 0.00 0.00 173.24 172.29 2ekx s SER 6 N -4.77 4.53 0.07 7.02 0.01 -1.26 -5.00 113.70 114.30 2ekx s SER 6 Ca 0.66 -2.99 0.00 0.00 1.31 0.00 0.00 55.95 54.93 2ekx s SER 6 Cb -0.04 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.49 2ekx s SER 6 CO 0.43 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2ekx n GLY 7 N 3.18 -2.11 4.12 3.44 0.00 -1.26 -4.86 105.19 107.70 2ekx n GLY 7 Ca 0.06 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 2ekx n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ekx n LEU 8 N -2.71 -0.79 -0.04 0.99 4.77 -1.26 -4.81 117.00 113.15 2ekx n LEU 8 Ca -0.01 -1.11 -0.19 0.00 -0.03 0.00 0.00 56.01 54.68 2ekx n LEU 8 Cb 0.09 -1.39 -0.13 0.00 -2.33 0.00 0.00 43.42 39.66 2ekx n LEU 8 CO 0.00 0.27 -0.07 -0.78 -1.33 0.00 0.00 177.39 175.48 2ekx h ASP 9 N -1.14 0.17 -0.89 -1.43 3.58 -1.95 -3.36 116.42 111.41 2ekx h ASP 9 Ca -0.55 -0.85 0.17 0.00 0.42 0.00 0.00 57.03 56.22 2ekx h ASP 9 Cb 1.22 -0.06 -0.16 0.00 1.72 0.00 0.00 39.33 42.05 2ekx h ASP 9 CO 0.69 1.33 -0.25 0.47 -2.88 0.00 0.00 179.24 178.60 2ekx n ASP 10 N -4.32 -0.39 -4.47 2.28 9.92 -1.26 -4.45 116.55 113.87 2ekx n ASP 10 Ca -0.19 1.53 -0.28 0.00 -0.53 0.00 0.00 54.79 55.32 2ekx n ASP 10 Cb 0.69 -0.43 0.26 0.00 -0.64 0.00 0.00 41.12 40.99 2ekx n ASP 10 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2ekx s TYR 11 N -6.05 1.29 -0.08 1.24 2.02 -1.26 -5.02 117.35 109.49 2ekx s TYR 11 Ca -0.13 1.16 -0.11 0.00 -0.37 0.00 0.00 57.07 57.61 2ekx s TYR 11 Cb 0.22 -3.08 -0.04 0.00 -0.40 0.00 0.00 41.96 38.67 2ekx s TYR 11 CO 0.68 -4.01 -0.22 -0.25 -1.57 0.00 0.00 175.55 170.18 2ekx n ASP 12 N -5.02 1.59 -0.38 2.29 8.00 -1.26 -4.59 116.55 117.18 2ekx n ASP 12 Ca 0.02 0.25 0.33 0.00 0.71 0.00 0.00 54.79 56.11 2ekx n ASP 12 Cb 0.54 -0.59 0.58 0.00 -0.02 0.00 0.00 41.12 41.63 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 -4.06 0.73 -1.54 1.24 4.27 -1.26 -4.05 117.44 112.77 2ekx n TRP 13 Ca -0.09 0.74 -0.18 0.00 -3.89 0.00 0.00 57.50 54.08 2ekx n TRP 13 Cb 0.32 -1.16 -0.12 0.00 -1.36 0.00 0.00 31.31 28.99 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 -4.61 0.80 -3.00 -2.67 7.35 -1.26 -1.82 117.46 112.24 2ekx n PHE 14 Ca 0.35 0.01 -0.44 0.00 -0.76 0.00 0.00 57.45 56.61 2ekx n PHE 14 Cb 1.31 -1.96 0.00 0.00 0.35 0.00 0.00 39.48 39.19 2ekx n PHE 14 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ekx n ALA 15 N 14.22 3.95 -2.21 3.13 0.00 0.18 -4.87 120.51 134.92 2ekx n ALA 15 Ca 0.54 -4.31 -0.26 0.00 0.00 0.00 0.00 53.44 49.40 2ekx n ALA 15 Cb 0.33 -2.96 0.02 0.00 0.00 0.00 0.00 19.45 16.84 2ekx n ALA 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ekx s GLY 16 N 2.56 1.56 -1.00 0.00 0.00 -1.26 -3.90 107.32 105.29 2ekx s GLY 16 Ca 0.41 -0.74 -0.04 0.00 0.00 0.00 0.00 44.72 44.35 2ekx s GLY 16 CO -0.01 -0.52 0.86 -2.01 0.00 0.00 0.00 173.10 171.42 2ekx n ASN 17 N -2.36 -4.05 -4.93 1.64 5.15 -1.26 -5.01 115.26 104.45 2ekx n ASN 17 Ca 0.02 -0.44 -0.26 0.00 -0.60 0.00 0.00 54.58 53.30 2ekx n ASN 17 Cb 0.57 -4.02 0.01 0.00 -0.53 0.00 0.00 39.78 35.81 2ekx n ASN 17 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2ekx s ILE 18 N -3.26 1.58 0.34 -1.44 -5.25 -1.26 -5.11 121.20 106.80 2ekx s ILE 18 Ca 0.27 -1.43 0.04 0.00 -0.99 0.00 0.00 60.65 58.54 2ekx s ILE 18 Cb -0.12 -2.01 -0.01 0.00 2.95 0.00 0.00 42.46 43.26 2ekx s ILE 18 CO 0.56 0.00 0.14 -0.24 -1.79 0.00 0.00 174.94 173.61 2ekx n SER 19 N -1.88 0.97 0.23 4.36 2.88 -1.26 -4.96 113.62 113.96 2ekx n SER 19 Ca 0.00 -2.88 0.07 0.00 -1.33 0.00 0.00 58.87 54.74 2ekx n SER 19 Cb 0.64 0.96 0.61 0.00 -0.75 0.00 0.00 64.21 65.67 2ekx n SER 19 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2ekx h ARG 20 N 0.00 0.05 0.00 -1.46 2.47 -2.01 -2.04 114.38 111.39 2ekx h ARG 20 Ca -0.27 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 2ekx h ARG 20 Cb 1.05 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 2ekx h ARG 20 CO 0.42 0.04 -0.11 0.66 0.56 0.00 0.00 179.97 181.54 2ekx h SER 21 N 0.05 0.00 -0.96 7.04 4.64 -2.00 -3.38 113.55 118.94 2ekx h SER 21 Ca 0.01 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.48 2ekx h SER 21 Cb 0.01 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.95 2ekx h SER 21 CO -0.00 0.28 -0.40 0.00 -0.87 0.00 0.00 176.83 175.84 2ekx n GLN 22 N -3.29 -0.25 -0.28 4.77 6.02 -1.23 0.05 117.38 123.16 2ekx n GLN 22 Ca -0.02 1.48 0.05 0.00 -0.01 0.00 0.00 57.00 58.51 2ekx n GLN 22 Cb 0.06 -2.19 0.12 0.00 1.02 0.00 0.00 30.24 29.25 2ekx n GLN 22 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2ekx n SER 23 N -5.39 -0.27 -0.06 1.08 3.41 -0.77 0.41 113.62 112.02 2ekx n SER 23 Ca 0.09 1.36 -0.05 0.00 -0.26 0.00 0.00 58.87 60.01 2ekx n SER 23 Cb 0.37 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.00 -0.87 4.33 5.08 -0.56 -3.37 114.58 119.19 2ekx h GLU 24 Ca 0.39 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.83 2ekx h GLU 24 Cb 0.62 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.76 2ekx h GLU 24 CO -0.81 0.18 -0.57 0.37 -1.00 0.00 0.00 179.01 177.18 2ekx h GLN 25 N -1.00 -0.07 -0.75 2.33 4.15 0.19 0.49 115.11 120.46 2ekx h GLN 25 Ca -0.03 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.51 2ekx h GLN 25 Cb 0.41 0.02 -0.12 0.00 0.21 0.00 0.00 27.48 28.00 2ekx h GLN 25 CO -0.02 -0.05 -0.29 1.28 -1.93 0.00 0.00 178.83 177.83 2ekx n LEU 26 N -5.22 -0.47 0.22 -2.39 4.77 0.16 0.02 117.00 114.09 2ekx n LEU 26 Ca 0.01 1.30 -0.17 0.00 -0.03 0.00 0.00 56.01 57.12 2ekx n LEU 26 Cb 0.27 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2ekx n LEU 26 CO -0.13 -1.17 0.55 -0.07 -1.33 0.00 0.00 177.39 175.24 2ekx h LEU 27 N 0.00 -1.35 -0.48 2.23 -0.00 -1.07 -2.82 115.31 111.83 2ekx h LEU 27 Ca 0.27 0.12 0.09 0.00 -0.00 0.00 0.00 57.88 58.35 2ekx h LEU 27 Cb 0.45 0.47 -0.10 0.00 -0.00 0.00 0.00 40.66 41.48 2ekx h LEU 27 CO -0.74 -0.60 -0.37 0.03 -0.00 0.00 0.00 178.44 176.76 2ekx h ARG 28 N -0.87 -0.23 -0.78 1.13 3.08 -0.11 -1.50 114.38 115.10 2ekx h ARG 28 Ca -0.03 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.14 2ekx h ARG 28 Cb 0.80 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.78 2ekx h ARG 28 CO -0.14 -0.16 -0.34 1.04 -1.07 0.00 0.00 179.97 179.31 2ekx n GLN 29 N -5.42 -0.22 0.08 0.04 6.02 -0.21 -0.69 117.38 116.98 2ekx n GLN 29 Ca 0.02 1.19 -0.10 0.00 -0.01 0.00 0.00 57.00 58.10 2ekx n GLN 29 Cb 0.35 -1.77 -0.06 0.00 1.02 0.00 0.00 30.24 29.78 2ekx n GLN 29 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2ekx h LYS 30 N 0.00 -0.44 -1.47 -1.09 1.63 -1.19 -3.48 116.57 110.53 2ekx h LYS 30 Ca 0.24 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 2ekx h LYS 30 Cb 0.43 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2ekx h LYS 30 CO -0.76 -0.30 0.00 0.41 -3.45 0.00 0.00 179.45 175.35 2ekx n GLY 31 N -1.29 0.50 2.64 5.01 0.00 0.13 -5.08 105.19 107.10 2ekx n GLY 31 Ca -0.05 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 2ekx n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ekx s LYS 32 N -2.96 0.10 -0.77 1.61 -2.85 -1.26 -5.08 119.74 108.53 2ekx s LYS 32 Ca 0.00 -0.05 -0.24 0.00 -1.00 0.00 0.00 55.97 54.68 2ekx s LYS 32 Cb 0.00 -1.63 -0.15 0.00 -2.06 0.00 0.00 37.83 33.98 2ekx s LYS 32 CO 0.00 -0.70 2.40 -0.85 0.10 0.00 0.00 175.35 176.30 2ekx n GLU 33 N 5.29 0.56 0.00 1.78 0.28 -1.26 -1.45 120.64 125.83 2ekx n GLU 33 Ca -0.07 -0.59 0.00 0.00 -0.16 0.00 0.00 57.16 56.35 2ekx n GLU 33 Cb 0.49 -3.28 0.00 0.00 1.43 0.00 0.00 31.44 30.07 2ekx n GLU 33 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ekx n GLY 34 N 6.52 0.34 3.61 -1.84 0.00 -0.83 -4.82 105.19 108.16 2ekx n GLY 34 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 2ekx n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekx n ALA 35 N 0.00 -0.60 -3.27 4.61 0.00 -0.53 0.29 120.51 121.01 2ekx n ALA 35 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 2ekx n ALA 35 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.30 2ekx n ALA 35 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2ekx s PHE 36 N -2.07 0.45 0.12 0.00 -0.71 0.09 -0.97 117.98 114.89 2ekx s PHE 36 Ca 0.70 -0.83 -0.14 0.00 -1.04 0.00 0.00 56.93 55.62 2ekx s PHE 36 Cb -0.30 0.27 0.05 0.00 -1.21 0.00 0.00 43.02 41.83 2ekx s PHE 36 CO 0.54 -1.14 0.67 0.00 -1.34 0.00 0.00 175.22 173.95 2ekx n MET 37 N -0.46 0.43 -3.37 1.99 0.00 -1.24 0.15 117.12 114.63 2ekx n MET 37 Ca -0.02 -0.98 -0.10 0.00 0.00 0.00 0.00 57.70 56.60 2ekx n MET 37 Cb 0.61 1.32 -0.09 0.00 0.00 0.00 0.00 33.22 35.07 2ekx n MET 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2ekx s VAL 38 N -2.24 -0.57 0.46 3.17 1.01 -0.76 -3.94 120.40 117.53 2ekx s VAL 38 Ca 0.15 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.12 2ekx s VAL 38 Cb -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.58 2ekx s VAL 38 CO 0.04 -0.13 0.63 0.00 0.00 0.00 0.00 175.10 175.64 2ekx s ARG 39 N 2.52 2.71 -0.14 2.72 1.70 -1.16 0.51 118.95 127.81 2ekx s ARG 39 Ca 0.12 -1.18 -0.16 0.00 -0.47 0.00 0.00 55.73 54.04 2ekx s ARG 39 Cb -0.15 -2.69 -0.04 0.00 -0.57 0.00 0.00 34.95 31.49 2ekx s ARG 39 CO -0.16 -0.42 0.38 1.21 -1.08 0.00 0.00 175.30 175.24 2ekx s ASN 40 N -4.40 6.55 0.84 -2.89 2.47 -1.26 -3.70 114.94 112.55 2ekx s ASN 40 Ca 0.56 0.65 -0.12 0.00 0.42 0.00 0.00 52.86 54.37 2ekx s ASN 40 Cb -0.10 -2.23 0.09 0.00 -1.45 0.00 0.00 41.25 37.57 2ekx s ASN 40 CO 0.35 0.05 1.13 -0.55 -3.72 0.00 0.00 177.10 174.36 2ekx s SER 41 N 0.55 4.19 0.19 -4.21 0.15 -1.25 -4.89 113.70 108.42 2ekx s SER 41 Ca 0.21 1.04 -0.13 0.00 0.70 0.00 0.00 55.95 57.78 2ekx s SER 41 Cb -0.14 -1.67 0.11 0.00 -1.71 0.00 0.00 66.02 62.61 2ekx s SER 41 CO 0.07 -2.13 1.85 0.28 1.20 0.00 0.00 173.24 174.50 2ekx h SER 42 N -1.21 0.66 -3.26 5.45 0.02 -1.98 -3.41 113.55 109.83 2ekx h SER 42 Ca -0.48 -0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 59.79 2ekx h SER 42 Cb 1.31 -0.16 -0.15 0.00 0.14 0.00 0.00 62.40 63.54 2ekx h SER 42 CO 0.62 0.47 -0.61 -1.10 -1.14 0.00 0.00 176.83 175.08 2ekx s GLN 43 N -6.14 3.18 0.67 3.45 -1.52 -1.26 -5.09 119.66 112.95 2ekx s GLN 43 Ca -0.13 -0.39 -0.17 0.00 -1.95 0.00 0.00 55.36 52.72 2ekx s GLN 43 Cb 0.13 -2.88 -0.01 0.00 -0.22 0.00 0.00 33.01 30.03 2ekx s GLN 43 CO 0.75 0.63 1.09 1.55 -0.25 0.00 0.00 175.29 179.06 2ekx n VAL 44 N 2.38 3.78 0.00 1.09 3.14 -1.26 -3.18 118.33 124.28 2ekx n VAL 44 Ca -0.18 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 2ekx n VAL 44 Cb 0.53 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 1.06 2.89 3.89 7.55 0.00 -1.26 -5.02 105.19 114.31 2ekx n GLY 45 Ca 0.14 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 3.64 -0.09 1.61 1.00 -1.19 -5.01 119.30 119.25 2ekx s MET 46 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 55.69 55.88 2ekx s MET 46 Cb 0.00 -2.38 0.03 0.00 0.00 0.00 0.00 34.83 32.48 2ekx s MET 46 CO 0.00 -0.13 0.33 0.71 0.00 0.00 0.00 175.02 175.93 2ekx s TYR 47 N -2.58 -0.31 -0.34 -0.03 1.51 -1.26 -3.81 117.35 110.52 2ekx s TYR 47 Ca 0.49 0.70 -0.08 0.00 -1.01 0.00 0.00 57.07 57.17 2ekx s TYR 47 Cb -0.10 0.12 0.03 0.00 -0.11 0.00 0.00 41.96 41.89 2ekx s TYR 47 CO 0.39 -0.25 0.13 0.99 -1.11 0.00 0.00 175.55 175.71 2ekx s THR 48 N -0.30 4.10 -0.73 -0.71 2.01 -1.24 -0.95 115.64 117.81 2ekx s THR 48 Ca -0.04 -0.93 -0.19 0.00 0.31 0.00 0.00 61.69 60.84 2ekx s THR 48 Cb -0.03 -3.26 0.12 0.00 0.01 0.00 0.00 72.50 69.34 2ekx s THR 48 CO 0.02 -0.13 0.88 -0.69 -0.69 0.00 0.00 174.62 174.00 2ekx s VAL 49 N 1.48 4.81 -0.67 3.82 1.01 0.11 -2.99 120.40 127.98 2ekx s VAL 49 Ca 0.01 -1.24 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 2ekx s VAL 49 Cb -0.19 -4.60 0.12 0.00 0.00 0.00 0.00 36.38 31.70 2ekx s VAL 49 CO 0.04 -1.28 0.79 -0.44 0.00 0.00 0.00 175.10 174.21 2ekx s SER 50 N 3.45 6.30 -0.11 3.32 0.01 -1.25 -2.53 113.70 122.89 2ekx s SER 50 Ca 0.20 -1.60 -0.05 0.00 1.31 0.00 0.00 55.95 55.81 2ekx s SER 50 Cb -0.16 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2ekx s SER 50 CO 0.01 -1.09 0.08 -1.48 0.41 0.00 0.00 173.24 171.17 2ekx s LEU 51 N 2.57 4.03 -0.11 2.44 0.05 -1.24 -3.73 118.68 122.68 2ekx s LEU 51 Ca 0.16 0.32 -0.14 0.00 0.05 0.00 0.00 54.13 54.52 2ekx s LEU 51 Cb -0.20 -1.96 -0.05 0.00 -2.05 0.00 0.00 46.19 41.94 2ekx s LEU 51 CO 0.03 0.39 0.34 0.12 -0.55 0.00 0.00 176.35 176.68 2ekx s PHE 52 N -0.94 3.55 0.18 3.48 5.36 -0.14 -0.79 117.98 128.69 2ekx s PHE 52 Ca 0.14 0.73 -0.12 0.00 -0.96 0.00 0.00 56.93 56.72 2ekx s PHE 52 Cb -0.12 -2.33 0.01 0.00 -0.34 0.00 0.00 43.02 40.24 2ekx s PHE 52 CO 0.03 0.37 0.39 -1.12 -1.46 0.00 0.00 175.22 173.43 2ekx s SER 53 N -0.01 -0.08 -0.05 6.13 0.01 -0.88 -1.97 113.70 116.85 2ekx s SER 53 Ca 0.20 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 56.74 2ekx s SER 53 Cb -0.14 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.60 2ekx s SER 53 CO 0.07 -0.97 -0.08 -0.75 0.41 0.00 0.00 173.24 171.92 2ekx s LYS 54 N -3.94 1.24 0.69 12.44 2.20 -1.26 -1.69 119.74 129.41 2ekx s LYS 54 Ca 0.15 -0.27 -0.08 0.00 -0.36 0.00 0.00 55.97 55.41 2ekx s LYS 54 Cb 0.01 -1.10 0.05 0.00 -1.51 0.00 0.00 37.83 35.28 2ekx s LYS 54 CO -0.00 -0.01 1.02 0.00 -0.36 0.00 0.00 175.35 175.99 2ekx s ALA 55 N 0.71 3.10 0.18 3.13 0.00 -1.26 -4.90 121.76 122.72 2ekx s ALA 55 Ca -0.12 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 2ekx s ALA 55 Cb -0.14 -2.69 0.06 0.00 0.00 0.00 0.00 23.12 20.35 2ekx s ALA 55 CO 0.02 -1.21 1.44 0.28 0.00 0.00 0.00 175.76 176.28 2ekx h VAL 56 N -0.56 1.38 0.08 0.00 2.07 -2.01 -2.03 116.25 115.19 2ekx h VAL 56 Ca -0.45 -2.15 -0.31 0.00 0.82 0.00 0.00 66.70 64.61 2ekx h VAL 56 Cb 1.30 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 2ekx h VAL 56 CO 0.61 0.64 -1.65 -1.13 0.02 0.00 0.00 177.57 176.07 2ekx h ASN 57 N 0.27 0.28 0.39 0.57 -1.24 -2.06 -3.38 115.58 110.40 2ekx h ASN 57 Ca -0.03 -0.47 -0.02 0.00 0.71 0.00 0.00 56.30 56.49 2ekx h ASN 57 Cb 1.30 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.27 2ekx h ASN 57 CO 0.12 1.40 -0.19 0.44 -1.29 0.00 0.00 177.43 177.92 2ekx h ASP 58 N 0.05 -0.44 -4.22 1.15 5.19 -1.96 -3.46 116.42 112.74 2ekx h ASP 58 Ca -0.28 -0.13 -0.18 0.00 -0.62 0.00 0.00 57.03 55.82 2ekx h ASP 58 Cb 2.01 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 41.62 2ekx h ASP 58 CO 0.12 -0.08 -0.23 0.29 -3.12 0.00 0.00 179.24 176.23 2ekx n LYS 59 N -5.19 -2.48 0.00 3.56 4.76 -0.76 -4.71 118.16 113.34 2ekx n LYS 59 Ca -0.10 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2ekx n LYS 59 Cb 0.28 -4.99 0.00 0.00 -1.84 0.00 0.00 35.03 28.48 2ekx n LYS 59 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2ekx n LYS 60 N -2.74 3.44 -0.61 1.97 2.85 -1.26 -5.06 118.16 116.74 2ekx n LYS 60 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 2ekx n LYS 60 Cb 0.58 -0.96 0.00 0.00 -0.65 0.00 0.00 35.03 34.00 2ekx n LYS 60 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ekx n GLY 61 N 2.75 -2.75 3.16 2.58 0.00 -1.26 -5.07 105.19 104.60 2ekx n GLY 61 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 2ekx n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ekx s THR 62 N 0.00 0.61 -0.05 2.61 -1.32 -0.68 -5.01 115.64 111.80 2ekx s THR 62 Ca 0.00 -1.92 -0.10 0.00 -1.21 0.00 0.00 61.69 58.46 2ekx s THR 62 Cb 0.00 -1.69 -0.05 0.00 -1.51 0.00 0.00 72.50 69.25 2ekx s THR 62 CO 0.00 -0.86 0.27 -0.69 -2.21 0.00 0.00 174.62 171.13 2ekx s VAL 63 N -3.68 5.28 0.47 5.08 1.01 -1.26 -2.07 120.40 125.24 2ekx s VAL 63 Ca 0.12 0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.64 2ekx s VAL 63 Cb 0.06 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.92 2ekx s VAL 63 CO -0.05 0.55 0.64 -0.54 0.00 0.00 0.00 175.10 175.70 2ekx s LYS 64 N -1.21 2.64 -0.24 2.72 -0.14 0.03 -4.98 119.74 118.57 2ekx s LYS 64 Ca 0.21 -1.39 -0.03 0.00 -1.36 0.00 0.00 55.97 53.41 2ekx s LYS 64 Cb -0.14 -2.71 0.13 0.00 -1.68 0.00 0.00 37.83 33.42 2ekx s LYS 64 CO 0.10 -0.48 0.33 -1.01 -0.76 0.00 0.00 175.35 173.54 2ekx s HIS 65 N -2.46 -0.67 -0.03 3.18 3.76 -1.26 -3.73 115.29 114.08 2ekx s HIS 65 Ca 0.57 0.56 0.07 0.00 -0.15 0.00 0.00 55.06 56.11 2ekx s HIS 65 Cb -0.08 -0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.46 2ekx s HIS 65 CO 0.35 -0.72 -0.23 0.71 -0.85 0.00 0.00 174.74 174.00 2ekx s TYR 66 N 2.47 2.14 -0.13 1.40 2.02 -1.05 -4.97 117.35 119.23 2ekx s TYR 66 Ca 0.11 -0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 56.27 2ekx s TYR 66 Cb -0.15 -1.39 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 2ekx s TYR 66 CO -0.17 -0.10 0.01 -1.01 -1.57 0.00 0.00 175.55 172.71 2ekx s HIS 67 N -0.36 3.16 -0.41 2.71 3.76 -1.26 0.08 115.29 122.98 2ekx s HIS 67 Ca 0.04 0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.70 2ekx s HIS 67 Cb -0.11 -1.92 0.02 0.00 1.11 0.00 0.00 32.58 31.68 2ekx s HIS 67 CO 0.01 0.26 1.22 0.08 -0.85 0.00 0.00 174.74 175.45 2ekx s VAL 68 N -0.22 4.18 0.40 -0.90 1.01 -0.13 -4.77 120.40 119.97 2ekx s VAL 68 Ca 0.06 1.26 -0.13 0.00 0.00 0.00 0.00 61.98 63.17 2ekx s VAL 68 Cb -0.12 -4.41 -0.07 0.00 0.00 0.00 0.00 36.38 31.77 2ekx s VAL 68 CO 0.02 -0.78 0.79 -1.00 0.00 0.00 0.00 175.10 174.13 2ekx s HIS 69 N 4.52 3.44 -0.08 5.22 3.76 -0.87 -4.39 115.29 126.89 2ekx s HIS 69 Ca 0.52 1.16 0.03 0.00 -0.15 0.00 0.00 55.06 56.62 2ekx s HIS 69 Cb -0.11 -2.52 -0.02 0.00 1.11 0.00 0.00 32.58 31.04 2ekx s HIS 69 CO 0.28 -0.08 -0.17 0.99 -0.85 0.00 0.00 174.74 174.90 2ekx s THR 70 N -2.29 2.72 0.34 1.30 2.01 -1.26 -2.95 115.64 115.52 2ekx s THR 70 Ca 0.53 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.77 2ekx s THR 70 Cb -0.10 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 2ekx s THR 70 CO 0.27 0.56 0.49 0.21 -0.69 0.00 0.00 174.62 175.46 2ekx s ASN 71 N -0.20 5.98 0.33 3.53 2.47 -0.98 -4.86 114.94 121.21 2ekx s ASN 71 Ca -0.01 -0.11 0.10 0.00 0.42 0.00 0.00 52.86 53.26 2ekx s ASN 71 Cb -0.13 -1.32 0.99 0.00 -1.45 0.00 0.00 41.25 39.34 2ekx s ASN 71 CO 0.03 -0.44 1.60 0.00 -3.72 0.00 0.00 177.10 174.57 2ekx h ALA 72 N 0.85 1.62 -0.24 1.71 0.00 -2.00 1.55 119.26 122.75 2ekx h ALA 72 Ca -0.46 0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2ekx h ALA 72 Cb 1.25 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 2ekx h ALA 72 CO 0.54 -0.68 0.16 0.39 0.00 0.00 0.00 179.25 179.66 2ekx n GLU 73 N -5.31 1.31 -4.16 0.00 1.02 -1.26 -4.83 120.64 107.42 2ekx n GLU 73 Ca 0.29 -0.73 -0.28 0.00 -0.02 0.00 0.00 57.16 56.41 2ekx n GLU 73 Cb 0.95 -1.29 -0.07 0.00 -0.02 0.00 0.00 31.44 31.02 2ekx n GLU 73 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2ekx n ASN 74 N 0.19 0.40 -4.63 1.62 0.23 0.53 -4.91 115.26 108.69 2ekx n ASN 74 Ca 0.14 -1.16 -0.37 0.00 -0.53 0.00 0.00 54.58 52.66 2ekx n ASN 74 Cb 0.76 -2.24 -0.10 0.00 -2.08 0.00 0.00 39.78 36.12 2ekx n ASN 74 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2ekx s LYS 75 N -7.02 4.02 0.01 -3.83 1.02 -1.21 -4.81 119.74 107.92 2ekx s LYS 75 Ca 0.00 -0.27 -0.22 0.00 0.02 0.00 0.00 55.97 55.51 2ekx s LYS 75 Cb -0.00 -3.59 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 2ekx s LYS 75 CO 0.95 -0.06 0.65 -0.51 -0.92 0.00 0.00 175.35 175.46 2ekx s LEU 76 N 1.40 4.43 -0.02 3.17 1.43 -1.26 -2.33 118.68 125.50 2ekx s LEU 76 Ca 0.08 1.25 -0.28 0.00 -1.03 0.00 0.00 54.13 54.14 2ekx s LEU 76 Cb -0.15 -3.02 0.10 0.00 0.03 0.00 0.00 46.19 43.15 2ekx s LEU 76 CO 0.08 0.07 0.82 -0.72 0.23 0.00 0.00 176.35 176.82 2ekx s TYR 77 N -0.14 -0.45 -0.11 0.29 1.13 -1.15 -3.29 117.35 113.63 2ekx s TYR 77 Ca 0.33 0.51 -0.09 0.00 -1.41 0.00 0.00 57.07 56.41 2ekx s TYR 77 Cb -0.19 0.50 -0.27 0.00 -1.10 0.00 0.00 41.96 40.90 2ekx s TYR 77 CO 0.19 -0.57 0.42 -0.07 -2.51 0.00 0.00 175.55 173.01 2ekx h LEU 78 N 2.32 0.43 -8.28 -3.49 3.38 -1.89 -2.32 115.31 105.46 2ekx h LEU 78 Ca -0.25 -0.93 -0.66 0.00 0.09 0.00 0.00 57.88 56.13 2ekx h LEU 78 Cb 1.22 -0.14 -0.31 0.00 0.09 0.00 0.00 40.66 41.52 2ekx h LEU 78 CO 0.34 1.83 -0.80 0.00 0.09 0.00 0.00 178.44 179.90 2ekx s ALA 79 N -2.55 2.55 0.21 1.53 0.00 -1.26 -4.80 121.76 117.43 2ekx s ALA 79 Ca -0.22 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.50 2ekx s ALA 79 Cb 0.06 -1.37 0.28 0.00 0.00 0.00 0.00 23.12 22.09 2ekx s ALA 79 CO 0.78 -0.26 1.71 1.49 0.00 0.00 0.00 175.76 179.47 2ekx h GLU 80 N 7.77 0.25 -0.79 0.00 4.57 -2.00 0.11 114.58 124.49 2ekx h GLU 80 Ca -0.40 -0.02 0.23 0.00 -1.18 0.00 0.00 59.36 58.00 2ekx h GLU 80 Cb 1.16 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 2ekx h GLU 80 CO 0.60 0.17 0.94 -0.91 -1.18 0.00 0.00 179.01 178.63 2ekx h ASN 81 N 0.26 0.00 -2.84 1.04 2.35 -2.02 -3.40 115.58 110.97 2ekx h ASN 81 Ca 0.30 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.51 2ekx h ASN 81 Cb 0.44 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.68 2ekx h ASN 81 CO -0.39 0.00 -0.54 -0.31 -1.65 0.00 0.00 177.43 174.54 2ekx s TYR 82 N -4.48 1.85 0.06 1.19 2.02 0.39 -5.15 117.35 113.24 2ekx s TYR 82 Ca -0.03 -1.15 -0.05 0.00 -0.37 0.00 0.00 57.07 55.47 2ekx s TYR 82 Cb 0.14 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.43 2ekx s TYR 82 CO 0.48 -0.14 0.10 0.00 -1.57 0.00 0.00 175.55 174.42 2ekx n PHE 84 N 0.25 -0.09 -0.07 0.00 3.01 -1.21 -5.04 117.46 114.31 2ekx n PHE 84 Ca -0.16 -1.53 -0.22 0.00 1.01 0.00 0.00 57.45 56.55 2ekx n PHE 84 Cb 0.61 0.05 -0.12 0.00 -0.01 0.00 0.00 39.48 40.01 2ekx n PHE 84 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2ekx n ASP 85 N -1.92 1.98 -3.48 4.37 8.00 -1.26 -4.52 116.55 119.72 2ekx n ASP 85 Ca -0.01 0.29 -0.07 0.00 0.71 0.00 0.00 54.79 55.72 2ekx n ASP 85 Cb 0.35 -0.88 -0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2ekx n ASP 85 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ekx s SER 86 N -6.97 -0.14 0.10 -2.24 0.15 -1.26 -4.60 113.70 98.74 2ekx s SER 86 Ca -0.28 -0.78 -0.33 0.00 0.70 0.00 0.00 55.95 55.27 2ekx s SER 86 Cb 0.07 0.72 -0.13 0.00 -1.71 0.00 0.00 66.02 64.97 2ekx s SER 86 CO 0.65 -1.39 1.59 0.40 1.20 0.00 0.00 173.24 175.69 2ekx h ILE 87 N 2.00 0.15 -0.24 6.45 2.04 -1.97 -1.03 117.51 124.92 2ekx h ILE 87 Ca -0.25 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.47 2ekx h ILE 87 Cb 1.24 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2ekx h ILE 87 CO 0.30 0.00 -0.43 1.55 0.00 0.00 0.00 178.15 179.58 2ekx h PRO 88 N -0.79 0.58 0.00 2.37 0.13 -2.00 -2.90 132.00 129.38 2ekx h PRO 88 Ca -0.02 -0.30 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2ekx h PRO 88 Cb 0.74 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2ekx h PRO 88 CO -0.12 0.90 -0.05 0.87 -0.23 0.00 0.00 178.00 179.36 2ekx h LYS 89 N 0.47 0.00 0.08 0.86 1.79 -1.90 -2.14 116.57 115.73 2ekx h LYS 89 Ca 0.04 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.22 2ekx h LYS 89 Cb 0.94 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.61 2ekx h LYS 89 CO 0.08 0.05 -1.17 1.25 -1.08 0.00 0.00 179.45 178.58 2ekx h LEU 90 N 0.00 0.83 -0.61 2.94 6.46 -0.98 -3.30 115.31 120.66 2ekx h LEU 90 Ca -0.00 -0.74 0.03 0.00 -0.12 0.00 0.00 57.88 57.05 2ekx h LEU 90 Cb 0.15 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 2ekx h LEU 90 CO 0.01 1.55 0.37 0.40 -0.62 0.00 0.00 178.44 180.14 2ekx h ILE 91 N 0.29 1.06 -0.62 4.05 1.08 -1.37 -0.11 117.51 121.90 2ekx h ILE 91 Ca -0.16 -0.25 0.13 0.00 -0.39 0.00 0.00 64.86 64.19 2ekx h ILE 91 Cb 1.84 0.28 -0.11 0.00 -3.07 0.00 0.00 36.82 35.76 2ekx h ILE 91 CO 0.22 0.13 0.00 -0.74 -0.69 0.00 0.00 178.15 177.08 2ekx h HIS 92 N 0.72 -0.04 0.30 1.37 -0.00 -1.59 0.19 115.15 116.10 2ekx h HIS 92 Ca 0.25 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 2ekx h HIS 92 Cb 0.03 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2ekx h HIS 92 CO -0.06 -0.17 -0.15 1.88 -0.00 0.00 0.00 177.93 179.44 2ekx h TYR 93 N 0.12 -0.38 -0.98 5.26 0.05 -1.56 -3.30 116.97 116.18 2ekx h TYR 93 Ca 0.33 -0.01 0.24 0.00 0.05 0.00 0.00 58.73 59.33 2ekx h TYR 93 Cb 0.53 0.13 -0.18 0.00 1.01 0.00 0.00 36.73 38.21 2ekx h TYR 93 CO -0.37 -0.10 -0.09 0.45 -1.05 0.00 0.00 178.16 177.00 2ekx h HIS 94 N -1.03 -0.26 -0.85 4.88 3.86 -0.76 0.27 115.15 121.25 2ekx h HIS 94 Ca -0.04 0.08 0.08 0.00 -1.16 0.00 0.00 60.37 59.33 2ekx h HIS 94 Cb 0.45 0.27 -0.11 0.00 1.06 0.00 0.00 27.41 29.08 2ekx h HIS 94 CO 0.03 -0.42 -0.49 1.04 0.86 0.00 0.00 177.93 178.95 2ekx n GLN 95 N -5.54 -0.36 0.01 2.45 1.13 0.03 -2.80 117.38 112.29 2ekx n GLN 95 Ca 0.20 1.29 -0.01 0.00 -1.94 0.00 0.00 57.00 56.53 2ekx n GLN 95 Cb 0.63 -1.90 -0.01 0.00 0.11 0.00 0.00 30.24 29.08 2ekx n GLN 95 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2ekx h HIS 96 N 0.00 -0.07 -3.15 1.08 3.86 -1.16 -3.38 115.15 112.33 2ekx h HIS 96 Ca 0.15 -0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.77 2ekx h HIS 96 Cb 0.36 0.02 -0.36 0.00 1.06 0.00 0.00 27.41 28.50 2ekx h HIS 96 CO -0.87 -0.05 -0.83 0.54 0.86 0.00 0.00 177.93 177.59 2ekx s ASN 97 N -4.17 2.56 0.70 2.45 2.20 -0.35 -4.98 114.94 113.35 2ekx s ASN 97 Ca -0.01 -0.45 -0.01 0.00 -0.94 0.00 0.00 52.86 51.46 2ekx s ASN 97 Cb 0.00 -1.11 0.13 0.00 -2.00 0.00 0.00 41.25 38.27 2ekx s ASN 97 CO 0.03 -0.06 0.87 -1.20 -2.94 0.00 0.00 177.10 173.80 2ekx n SER 98 N 4.73 1.11 -4.61 3.54 7.64 -1.20 -3.28 113.62 121.55 2ekx n SER 98 Ca -0.16 -1.95 -0.28 0.00 1.01 0.00 0.00 58.87 57.49 2ekx n SER 98 Cb 0.50 -0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 63.03 2ekx n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ekx s ALA 99 N -3.15 3.16 0.00 -0.43 0.00 -1.26 -4.99 121.76 115.08 2ekx s ALA 99 Ca 0.57 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2ekx s ALA 99 Cb -0.03 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2ekx s ALA 99 CO 0.38 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2ekx n GLY 100 N -0.97 0.71 2.37 0.00 0.00 -1.26 -2.01 105.19 104.03 2ekx n GLY 100 Ca -0.05 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 2ekx n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ekx n MET 101 N 0.00 2.29 -3.74 1.61 2.81 -1.26 -4.85 117.12 113.97 2ekx n MET 101 Ca 0.00 -2.08 -0.38 0.00 -1.81 0.00 0.00 57.70 53.43 2ekx n MET 101 Cb 0.00 -2.07 -0.12 0.00 -0.71 0.00 0.00 33.22 30.32 2ekx n MET 101 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2ekx s ILE 102 N -1.81 3.66 0.12 2.02 -1.09 -0.85 -5.07 121.20 118.19 2ekx s ILE 102 Ca 0.57 -1.46 -0.35 0.00 -2.23 0.00 0.00 60.65 57.18 2ekx s ILE 102 Cb 0.36 -3.22 -0.16 0.00 -1.58 0.00 0.00 42.46 37.86 2ekx s ILE 102 CO -0.17 -0.37 1.30 0.41 -1.23 0.00 0.00 174.94 174.87 2ekx n THR 103 N 4.76 0.33 -1.10 2.92 -1.04 -1.26 -4.48 114.28 114.40 2ekx n THR 103 Ca -0.10 -0.08 -0.34 0.00 -2.04 0.00 0.00 64.05 61.49 2ekx n THR 103 Cb 0.43 -0.89 0.11 0.00 -1.82 0.00 0.00 70.33 68.15 2ekx n THR 103 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2ekx n ARG 104 N 2.31 0.13 -2.92 -2.82 -4.01 -1.26 -4.91 116.66 103.18 2ekx n ARG 104 Ca 0.17 0.10 -0.43 0.00 -1.04 0.00 0.00 57.85 56.65 2ekx n ARG 104 Cb 0.22 -2.10 -0.05 0.00 -3.04 0.00 0.00 32.46 27.49 2ekx n ARG 104 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2ekx s LEU 105 N -2.77 4.41 0.02 2.89 1.43 -1.26 -4.84 118.68 118.56 2ekx s LEU 105 Ca 0.67 -0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 2ekx s LEU 105 Cb -0.30 -2.62 -0.17 0.00 0.03 0.00 0.00 46.19 43.14 2ekx s LEU 105 CO 0.57 -1.21 1.30 -0.09 0.23 0.00 0.00 176.35 177.15 2ekx h ARG 106 N 9.31 -0.45 -2.75 1.70 2.43 -0.48 -3.43 114.38 120.71 2ekx h ARG 106 Ca -0.27 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.82 2ekx h ARG 106 Cb 1.08 0.10 -0.21 0.00 -0.42 0.00 0.00 29.97 30.52 2ekx h ARG 106 CO 1.09 -0.16 -0.18 -1.01 -1.51 0.00 0.00 179.97 178.20 2ekx s HIS 107 N -4.91 -0.36 0.64 2.20 3.76 -1.23 -4.95 115.29 110.44 2ekx s HIS 107 Ca -0.15 0.70 -0.16 0.00 -0.15 0.00 0.00 55.06 55.31 2ekx s HIS 107 Cb 0.02 0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.87 2ekx s HIS 107 CO 0.55 -0.37 1.11 -1.25 -0.85 0.00 0.00 174.74 173.94 2ekx s PRO 108 N -0.78 2.88 -0.03 8.40 0.04 -1.26 -0.73 135.00 143.52 2ekx s PRO 108 Ca -0.09 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2ekx s PRO 108 Cb -0.04 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.57 2ekx s PRO 108 CO 0.04 -1.19 0.01 0.08 0.04 0.00 0.00 177.00 175.98 2ekx s VAL 109 N -2.26 0.13 0.00 -0.36 1.01 0.40 -4.71 120.40 114.61 2ekx s VAL 109 Ca 0.68 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2ekx s VAL 109 Cb -0.21 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2ekx s VAL 109 CO 0.39 0.14 0.00 -1.54 0.00 0.00 0.00 175.10 174.10