#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 6.19 0.24 1.61 0.15 -1.26 -5.03 113.70 115.61 2ekx s SER 2 Ca 0.00 -0.93 0.01 0.00 0.70 0.00 0.00 55.95 55.73 2ekx s SER 2 Cb 0.00 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 2ekx s SER 2 CO 0.00 -0.72 0.19 -0.44 1.20 0.00 0.00 173.24 173.47 2ekx s SER 3 N 2.35 0.64 -0.12 5.45 0.01 -1.26 -5.18 113.70 115.59 2ekx s SER 3 Ca 0.11 -1.50 -0.14 0.00 1.31 0.00 0.00 55.95 55.73 2ekx s SER 3 Cb -0.20 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.51 2ekx s SER 3 CO 0.11 -0.92 0.38 -0.83 0.41 0.00 0.00 173.24 172.38 2ekx s GLY 4 N -3.23 -0.27 -0.13 3.44 0.00 -1.26 -5.07 107.32 100.80 2ekx s GLY 4 Ca 0.39 0.95 -0.08 0.00 0.00 0.00 0.00 44.72 45.97 2ekx s GLY 4 CO 0.17 0.78 0.08 1.76 0.00 0.00 0.00 173.10 175.89 2ekx h SER 5 N 5.18 0.00 -3.23 1.64 0.02 -2.06 -3.43 113.55 111.67 2ekx h SER 5 Ca -0.27 -0.18 -0.61 0.00 -0.84 0.00 0.00 61.79 59.89 2ekx h SER 5 Cb 1.18 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.60 2ekx h SER 5 CO 0.29 0.72 0.58 -0.94 -1.14 0.00 0.00 176.83 176.35 2ekx s SER 6 N -5.80 6.35 -0.03 3.07 1.04 -1.26 -5.00 113.70 112.06 2ekx s SER 6 Ca -0.09 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 2ekx s SER 6 Cb 0.01 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.71 2ekx s SER 6 CO 0.21 -1.23 0.07 -0.83 0.98 0.00 0.00 173.24 172.44 2ekx s GLY 7 N 2.82 0.04 0.04 7.32 0.00 -1.26 -5.03 107.32 111.24 2ekx s GLY 7 Ca 0.31 0.40 -0.10 0.00 0.00 0.00 0.00 44.72 45.33 2ekx s GLY 7 CO 0.20 0.71 1.02 -2.00 0.00 0.00 0.00 173.10 173.02 2ekx h LEU 8 N 7.10 0.64 -1.75 0.66 5.85 -2.00 -3.26 115.31 122.56 2ekx h LEU 8 Ca -0.42 -0.72 -0.02 0.00 0.84 0.00 0.00 57.88 57.56 2ekx h LEU 8 Cb 1.14 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2ekx h LEU 8 CO 0.46 1.57 -0.10 -2.24 -0.34 0.00 0.00 178.44 177.79 2ekx h ASP 9 N 0.11 0.00 0.13 1.25 2.03 -1.96 -2.29 116.42 115.70 2ekx h ASP 9 Ca -0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 2ekx h ASP 9 Cb 2.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.59 2ekx h ASP 9 CO 0.24 0.10 0.00 0.47 -1.03 0.00 0.00 179.24 179.02 2ekx n ASP 10 N -3.39 0.00 -3.36 4.15 8.00 -1.23 -4.68 116.55 116.04 2ekx n ASP 10 Ca -0.01 0.43 -0.21 0.00 0.71 0.00 0.00 54.79 55.71 2ekx n ASP 10 Cb 0.28 -0.44 0.15 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.44 -3.99 -0.10 1.24 4.01 -0.87 -5.05 117.16 110.95 2ekx n TYR 11 Ca 0.01 -0.84 -0.21 0.00 -0.16 0.00 0.00 57.90 56.70 2ekx n TYR 11 Cb 0.05 -0.74 -0.08 0.00 -0.31 0.00 0.00 39.34 38.26 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 -3.63 1.61 0.05 7.72 8.00 -1.26 -4.51 116.55 124.52 2ekx n ASP 12 Ca 0.12 0.21 0.15 0.00 0.71 0.00 0.00 54.79 55.98 2ekx n ASP 12 Cb 0.41 -0.58 0.64 0.00 -0.02 0.00 0.00 41.12 41.57 2ekx n ASP 12 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2ekx h TRP 13 N -0.65 0.09 -2.76 1.24 5.08 -1.90 -3.33 115.95 113.72 2ekx h TRP 13 Ca -0.52 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 58.89 2ekx h TRP 13 Cb 1.49 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 27.60 2ekx h TRP 13 CO -0.06 0.04 1.05 0.12 -1.28 0.00 0.00 178.44 178.32 2ekx s PHE 14 N -5.11 2.27 -0.22 0.12 2.19 -1.26 -1.86 117.98 114.11 2ekx s PHE 14 Ca -0.06 0.54 -0.08 0.00 0.33 0.00 0.00 56.93 57.67 2ekx s PHE 14 Cb 0.19 -3.83 -0.18 0.00 -1.31 0.00 0.00 43.02 37.88 2ekx s PHE 14 CO 0.72 -2.93 -0.05 0.00 1.83 0.00 0.00 175.22 174.80 2ekx n ALA 15 N 7.44 1.15 0.00 11.12 0.00 0.91 -4.82 120.51 136.30 2ekx n ALA 15 Ca 0.17 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2ekx n ALA 15 Cb 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2ekx n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ekx n GLY 16 N 1.83 0.20 3.58 0.00 0.00 -1.03 -4.91 105.19 104.85 2ekx n GLY 16 Ca -0.43 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 2ekx n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ekx s ASN 17 N -4.00 6.31 0.37 1.61 2.20 -1.26 -2.39 114.94 117.78 2ekx s ASN 17 Ca 0.00 0.10 0.08 0.00 -0.94 0.00 0.00 52.86 52.11 2ekx s ASN 17 Cb 0.00 -2.55 -0.07 0.00 -2.00 0.00 0.00 41.25 36.63 2ekx s ASN 17 CO 0.00 -1.60 -0.05 0.27 -2.94 0.00 0.00 177.10 172.78 2ekx s ILE 18 N 5.42 2.13 0.19 0.54 -5.25 -1.26 -5.01 121.20 117.95 2ekx s ILE 18 Ca 0.45 -2.12 0.04 0.00 -0.99 0.00 0.00 60.65 58.04 2ekx s ILE 18 Cb -0.09 -2.79 -0.03 0.00 2.95 0.00 0.00 42.46 42.50 2ekx s ILE 18 CO 0.24 -0.12 0.25 -0.55 -1.79 0.00 0.00 174.94 172.97 2ekx s SER 19 N -3.65 5.99 0.66 4.36 0.15 -1.26 -4.93 113.70 115.02 2ekx s SER 19 Ca 0.33 0.00 0.22 0.00 0.70 0.00 0.00 55.95 57.21 2ekx s SER 19 Cb 0.06 -1.70 1.21 0.00 -1.71 0.00 0.00 66.02 63.88 2ekx s SER 19 CO 0.17 0.01 1.68 0.08 1.20 0.00 0.00 173.24 176.38 2ekx h ARG 20 N 1.89 0.00 0.00 5.44 0.11 -2.01 -1.23 114.38 118.58 2ekx h ARG 20 Ca -0.49 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.51 2ekx h ARG 20 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 2ekx h ARG 20 CO 0.64 0.00 -0.69 1.03 0.10 0.00 0.00 179.97 181.05 2ekx h SER 21 N 0.00 0.00 -0.26 0.08 0.87 -2.01 -3.38 113.55 108.86 2ekx h SER 21 Ca 0.00 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.39 2ekx h SER 21 Cb 0.99 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.88 2ekx h SER 21 CO 0.00 0.99 -0.47 1.56 -0.53 0.00 0.00 176.83 178.38 2ekx h GLN 22 N -1.00 -0.43 -0.07 2.24 4.20 -1.64 -1.22 115.11 117.19 2ekx h GLN 22 Ca -0.12 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.63 2ekx h GLN 22 Cb 0.75 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 2ekx h GLN 22 CO -0.07 -0.29 -0.04 -1.13 -0.67 0.00 0.00 178.83 176.63 2ekx n SER 23 N -5.42 -0.08 -0.12 1.46 3.41 -0.75 -0.25 113.62 111.88 2ekx n SER 23 Ca -0.03 0.83 -0.05 0.00 -0.26 0.00 0.00 58.87 59.35 2ekx n SER 23 Cb 0.36 -0.37 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.03 -0.85 4.33 5.08 -1.67 -0.86 114.58 120.58 2ekx h GLU 24 Ca 0.01 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.59 2ekx h GLU 24 Cb 0.03 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.15 2ekx h GLU 24 CO -0.07 -0.02 0.26 0.37 -1.00 0.00 0.00 179.01 178.55 2ekx h GLN 25 N -0.03 0.25 0.54 2.33 5.75 0.62 0.22 115.11 124.80 2ekx h GLN 25 Ca 0.19 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 2ekx h GLN 25 Cb 0.32 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.82 2ekx h GLN 25 CO -0.42 0.17 -0.26 -0.07 -2.65 0.00 0.00 178.83 175.60 2ekx h LEU 26 N 0.26 -0.62 -1.73 -2.39 3.38 0.68 0.39 115.31 115.28 2ekx h LEU 26 Ca 0.52 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.67 2ekx h LEU 26 Cb 1.02 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2ekx h LEU 26 CO -0.60 -0.31 0.63 -0.07 0.09 0.00 0.00 178.44 178.19 2ekx h LEU 27 N -0.99 0.00 0.00 1.67 -0.00 -0.73 -0.14 115.31 115.12 2ekx h LEU 27 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2ekx h LEU 27 Cb 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.22 2ekx h LEU 27 CO 0.12 0.00 -0.10 0.03 -0.00 0.00 0.00 178.44 178.49 2ekx h ARG 28 N 0.00 0.00 -0.98 1.13 3.08 -0.42 -3.25 114.38 113.94 2ekx h ARG 28 Ca 0.25 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.51 2ekx h ARG 28 Cb 1.52 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.46 2ekx h ARG 28 CO -0.00 0.06 0.58 -0.56 -1.07 0.00 0.00 179.97 178.98 2ekx h GLN 29 N -1.00 0.65 0.14 0.04 3.07 -0.03 -1.35 115.11 116.63 2ekx h GLN 29 Ca -0.00 -0.04 0.01 0.00 0.09 0.00 0.00 58.65 58.71 2ekx h GLN 29 Cb 0.16 -0.15 -0.03 0.00 0.08 0.00 0.00 27.48 27.54 2ekx h GLN 29 CO -0.00 0.43 -0.23 -0.22 0.09 0.00 0.00 178.83 178.90 2ekx h LYS 30 N 0.67 -0.43 -0.37 0.06 1.63 -1.20 -3.46 116.57 113.47 2ekx h LYS 30 Ca 0.59 0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 60.29 2ekx h LYS 30 Cb 0.99 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.67 2ekx h LYS 30 CO -0.42 -0.28 -0.12 0.41 -3.45 0.00 0.00 179.45 175.59 2ekx n GLY 31 N -1.35 0.76 3.48 5.01 0.00 -0.51 -5.00 105.19 107.57 2ekx n GLY 31 Ca -0.07 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.75 3.19 0.25 1.61 -0.14 -1.26 -5.05 119.74 115.59 2ekx s LYS 32 Ca 0.00 -0.86 -0.31 0.00 -1.36 0.00 0.00 55.97 53.44 2ekx s LYS 32 Cb 0.00 -3.88 -0.12 0.00 -1.68 0.00 0.00 37.83 32.15 2ekx s LYS 32 CO 0.00 -0.61 1.66 0.39 -0.76 0.00 0.00 175.35 176.03 2ekx n GLU 33 N 5.12 2.75 -0.59 1.68 4.71 -1.26 -1.29 120.64 131.76 2ekx n GLU 33 Ca -0.12 0.99 0.00 0.00 -0.01 0.00 0.00 57.16 58.02 2ekx n GLU 33 Cb 0.48 -2.80 0.00 0.00 -1.01 0.00 0.00 31.44 28.11 2ekx n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ekx n GLY 34 N 3.06 1.32 3.35 0.62 0.00 -1.22 -4.56 105.19 107.75 2ekx n GLY 34 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 0.21 -2.26 -2.64 4.61 0.00 -0.41 -1.40 120.51 118.63 2ekx n ALA 35 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 2ekx n ALA 35 Cb 0.00 -1.60 -0.08 0.00 0.00 0.00 0.00 19.45 17.77 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 -1.79 0.16 0.35 0.00 -0.71 0.44 -0.53 117.98 115.90 2ekx s PHE 36 Ca 0.62 -0.51 -0.12 0.00 -1.04 0.00 0.00 56.93 55.88 2ekx s PHE 36 Cb -0.52 -0.09 0.03 0.00 -1.21 0.00 0.00 43.02 41.23 2ekx s PHE 36 CO 0.61 -0.47 0.66 0.00 -1.34 0.00 0.00 175.22 174.68 2ekx s MET 37 N -3.26 2.02 -0.02 1.99 0.23 -1.07 -0.10 119.30 119.09 2ekx s MET 37 Ca 0.00 -1.47 0.00 0.00 -1.03 0.00 0.00 55.69 53.19 2ekx s MET 37 Cb 0.02 0.55 0.03 0.00 -1.53 0.00 0.00 34.83 33.91 2ekx s MET 37 CO -0.08 -0.91 0.03 0.08 -2.03 0.00 0.00 175.02 172.11 2ekx s VAL 38 N -2.87 -0.05 0.40 5.16 1.01 -0.77 -3.10 120.40 120.17 2ekx s VAL 38 Ca 0.20 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.41 2ekx s VAL 38 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 2ekx s VAL 38 CO 0.13 0.09 0.05 -2.11 0.00 0.00 0.00 175.10 173.27 2ekx n ARG 39 N 4.18 0.83 -3.73 2.72 1.85 -0.66 -0.06 116.66 121.77 2ekx n ARG 39 Ca -0.28 -3.07 -0.36 0.00 -1.00 0.00 0.00 57.85 53.14 2ekx n ARG 39 Cb 0.50 1.15 -0.07 0.00 -1.05 0.00 0.00 32.46 32.99 2ekx n ARG 39 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2ekx s ASN 40 N -3.28 6.39 1.33 2.89 0.01 -1.00 -2.80 114.94 118.47 2ekx s ASN 40 Ca 0.07 0.46 -0.20 0.00 -0.71 0.00 0.00 52.86 52.47 2ekx s ASN 40 Cb 0.00 -2.12 0.33 0.00 0.41 0.00 0.00 41.25 39.88 2ekx s ASN 40 CO 0.05 0.27 0.99 -0.55 -1.51 0.00 0.00 177.10 176.36 2ekx s SER 41 N -0.34 -0.25 0.08 -1.22 0.15 -1.21 -4.71 113.70 106.21 2ekx s SER 41 Ca 0.14 0.87 -0.25 0.00 0.70 0.00 0.00 55.95 57.42 2ekx s SER 41 Cb -0.12 -1.26 -0.16 0.00 -1.71 0.00 0.00 66.02 62.77 2ekx s SER 41 CO 0.03 -4.87 1.70 0.28 1.20 0.00 0.00 173.24 171.59 2ekx h SER 42 N -3.08 -0.12 -3.13 5.45 0.02 -1.96 -3.43 113.55 107.30 2ekx h SER 42 Ca -0.46 -0.02 -0.63 0.00 -0.84 0.00 0.00 61.79 59.84 2ekx h SER 42 Cb 1.33 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.81 2ekx h SER 42 CO 0.33 -0.06 -0.59 -1.10 -1.14 0.00 0.00 176.83 174.27 2ekx s GLN 43 N -6.08 2.92 -0.14 3.45 -0.21 -1.26 -5.05 119.66 113.28 2ekx s GLN 43 Ca -0.14 -0.69 -0.29 0.00 0.02 0.00 0.00 55.36 54.26 2ekx s GLN 43 Cb 0.05 -2.74 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 2ekx s GLN 43 CO 0.65 0.56 1.84 0.08 -2.12 0.00 0.00 175.29 176.31 2ekx s VAL 44 N -1.42 3.36 0.00 1.09 1.01 -1.26 -3.70 120.40 119.47 2ekx s VAL 44 Ca 0.30 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2ekx s VAL 44 Cb -0.12 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2ekx s VAL 44 CO 0.22 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2ekx n GLY 45 N 4.84 1.74 3.85 4.51 0.00 -1.26 -5.14 105.19 113.73 2ekx n GLY 45 Ca 0.21 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2ekx n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ekx n MET 46 N 0.00 0.50 -4.17 1.61 2.81 -1.24 -5.07 117.12 111.56 2ekx n MET 46 Ca 0.00 -3.02 -0.10 0.00 -1.81 0.00 0.00 57.70 52.77 2ekx n MET 46 Cb 0.00 -0.30 -0.10 0.00 -0.71 0.00 0.00 33.22 32.11 2ekx n MET 46 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2ekx s TYR 47 N -2.62 0.95 -0.10 2.03 1.51 -1.26 -3.31 117.35 114.56 2ekx s TYR 47 Ca 0.61 -1.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 2ekx s TYR 47 Cb -0.05 -0.52 0.02 0.00 -0.11 0.00 0.00 41.96 41.30 2ekx s TYR 47 CO 0.39 -0.50 -0.08 0.99 -1.11 0.00 0.00 175.55 175.24 2ekx s THR 48 N -4.02 0.96 -0.43 -0.71 2.01 -1.12 -0.18 115.64 112.15 2ekx s THR 48 Ca 0.26 -0.28 -0.17 0.00 0.31 0.00 0.00 61.69 61.82 2ekx s THR 48 Cb 0.07 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.64 2ekx s THR 48 CO 0.04 0.35 0.43 -0.69 -0.69 0.00 0.00 174.62 174.05 2ekx s VAL 49 N 1.48 5.11 -0.39 3.82 1.01 0.15 -1.66 120.40 129.92 2ekx s VAL 49 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 2ekx s VAL 49 Cb -0.13 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.28 2ekx s VAL 49 CO -0.05 -0.43 0.19 -0.44 0.00 0.00 0.00 175.10 174.37 2ekx s SER 50 N 1.86 5.43 0.10 3.32 0.01 -1.18 -0.45 113.70 122.78 2ekx s SER 50 Ca 0.11 -1.52 0.09 0.00 1.31 0.00 0.00 55.95 55.94 2ekx s SER 50 Cb -0.18 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 2ekx s SER 50 CO 0.13 -0.47 -0.20 -1.48 0.41 0.00 0.00 173.24 171.63 2ekx s LEU 51 N 1.35 2.61 0.06 2.44 0.05 -1.08 -2.59 118.68 121.51 2ekx s LEU 51 Ca 0.02 -0.56 -0.09 0.00 0.05 0.00 0.00 54.13 53.55 2ekx s LEU 51 Cb -0.22 -1.49 -0.05 0.00 -2.05 0.00 0.00 46.19 42.38 2ekx s LEU 51 CO 0.01 0.20 0.36 0.12 -0.55 0.00 0.00 176.35 176.48 2ekx s PHE 52 N -1.08 3.58 0.01 3.48 2.19 0.31 -1.64 117.98 124.84 2ekx s PHE 52 Ca 0.17 0.72 -0.11 0.00 0.33 0.00 0.00 56.93 58.04 2ekx s PHE 52 Cb -0.10 -2.11 0.01 0.00 -1.31 0.00 0.00 43.02 39.51 2ekx s PHE 52 CO 0.08 0.55 0.22 0.45 1.83 0.00 0.00 175.22 178.36 2ekx s SER 53 N -1.73 -0.06 -0.12 6.13 0.15 -1.02 -3.45 113.70 113.60 2ekx s SER 53 Ca 0.31 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.83 2ekx s SER 53 Cb -0.14 0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2ekx s SER 53 CO 0.17 -0.46 -0.16 -0.75 1.20 0.00 0.00 173.24 173.25 2ekx s LYS 54 N -1.73 2.32 0.51 5.44 2.20 -1.26 -1.94 119.74 125.28 2ekx s LYS 54 Ca -0.11 -0.59 0.05 0.00 -0.36 0.00 0.00 55.97 54.95 2ekx s LYS 54 Cb -0.05 -1.99 0.05 0.00 -1.51 0.00 0.00 37.83 34.33 2ekx s LYS 54 CO 0.01 -0.09 0.38 0.00 -0.36 0.00 0.00 175.35 175.29 2ekx n ALA 55 N 4.31 0.79 -1.70 3.13 0.00 -1.26 -5.00 120.51 120.77 2ekx n ALA 55 Ca -0.19 -2.05 -0.17 0.00 0.00 0.00 0.00 53.44 51.03 2ekx n ALA 55 Cb 0.51 0.84 -0.08 0.00 0.00 0.00 0.00 19.45 20.72 2ekx n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ekx s VAL 56 N -2.53 3.14 -1.17 0.00 1.01 -1.26 -3.18 120.40 116.41 2ekx s VAL 56 Ca 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2ekx s VAL 56 Cb -0.02 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2ekx s VAL 56 CO 0.19 -0.27 0.97 0.59 0.00 0.00 0.00 175.10 176.58 2ekx n ASN 57 N 17.92 -3.08 -3.81 3.32 4.13 -1.26 -4.95 115.26 127.53 2ekx n ASN 57 Ca 0.44 -0.65 -0.37 0.00 1.68 0.00 0.00 54.58 55.68 2ekx n ASN 57 Cb 0.45 -5.10 -0.03 0.00 -1.54 0.00 0.00 39.78 33.56 2ekx n ASN 57 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2ekx n ASP 58 N -3.15 5.26 -2.18 6.41 9.92 -1.19 -4.71 116.55 126.92 2ekx n ASP 58 Ca -0.24 -3.39 -0.13 0.00 -0.53 0.00 0.00 54.79 50.50 2ekx n ASP 58 Cb 0.66 -1.04 0.04 0.00 -0.64 0.00 0.00 41.12 40.14 2ekx n ASP 58 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2ekx n LYS 59 N 1.26 -4.31 -3.94 -1.24 3.00 -1.26 -3.19 118.16 108.48 2ekx n LYS 59 Ca 0.27 0.45 -0.33 0.00 -0.00 0.00 0.00 58.31 58.70 2ekx n LYS 59 Cb 0.36 -4.33 -0.07 0.00 0.00 0.00 0.00 35.03 31.00 2ekx n LYS 59 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2ekx n LYS 60 N -2.93 -0.79 0.00 1.64 2.85 -1.26 -4.36 118.16 113.30 2ekx n LYS 60 Ca 0.00 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2ekx n LYS 60 Cb 0.53 -3.67 0.00 0.00 -0.65 0.00 0.00 35.03 31.25 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 -1.11 2.49 2.98 2.58 0.00 -1.19 -5.07 105.19 105.87 2ekx n GLY 61 Ca 0.05 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 0.54 -0.19 2.61 2.01 -0.82 -5.03 115.64 114.75 2ekx s THR 62 Ca 0.00 -0.29 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 2ekx s THR 62 Cb 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 2ekx s THR 62 CO 0.00 0.15 0.39 -0.69 -0.69 0.00 0.00 174.62 173.79 2ekx s VAL 63 N -0.14 5.21 0.17 3.82 1.01 -1.26 -2.44 120.40 126.76 2ekx s VAL 63 Ca 0.02 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.72 2ekx s VAL 63 Cb -0.03 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2ekx s VAL 63 CO -0.00 0.26 0.33 -0.54 0.00 0.00 0.00 175.10 175.15 2ekx s LYS 64 N 1.22 3.48 -0.17 2.72 3.01 -0.65 -5.00 119.74 124.35 2ekx s LYS 64 Ca 0.19 -0.45 -0.01 0.00 -1.01 0.00 0.00 55.97 54.69 2ekx s LYS 64 Cb -0.15 -2.91 0.05 0.00 -1.01 0.00 0.00 37.83 33.82 2ekx s LYS 64 CO 0.08 0.47 -0.01 -1.01 0.51 0.00 0.00 175.35 175.39 2ekx s HIS 65 N -1.79 1.37 -0.08 3.18 3.76 -1.26 -2.64 115.29 117.83 2ekx s HIS 65 Ca 0.37 -0.96 -0.01 0.00 -0.15 0.00 0.00 55.06 54.31 2ekx s HIS 65 Cb -0.11 -1.16 -0.03 0.00 1.11 0.00 0.00 32.58 32.38 2ekx s HIS 65 CO 0.29 -0.60 -0.01 0.71 -0.85 0.00 0.00 174.74 174.28 2ekx s TYR 66 N 1.74 3.13 -0.19 1.40 2.02 0.40 -4.96 117.35 120.88 2ekx s TYR 66 Ca -0.00 0.17 -0.08 0.00 -0.37 0.00 0.00 57.07 56.79 2ekx s TYR 66 Cb -0.16 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 2ekx s TYR 66 CO -0.07 0.45 0.07 -1.01 -1.57 0.00 0.00 175.55 173.42 2ekx s HIS 67 N -0.88 3.23 -0.00 2.71 3.76 -1.26 0.31 115.29 123.15 2ekx s HIS 67 Ca 0.13 0.03 -0.30 0.00 -0.15 0.00 0.00 55.06 54.77 2ekx s HIS 67 Cb -0.11 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 2ekx s HIS 67 CO 0.02 0.09 1.01 0.08 -0.85 0.00 0.00 174.74 175.09 2ekx s VAL 68 N 0.57 4.77 0.15 -0.90 1.01 0.75 -4.74 120.40 122.02 2ekx s VAL 68 Ca 0.04 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.07 2ekx s VAL 68 Cb -0.13 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2ekx s VAL 68 CO 0.01 0.14 0.07 -1.00 0.00 0.00 0.00 175.10 174.33 2ekx s HIS 69 N 1.11 3.04 0.00 5.22 3.76 -0.34 -4.28 115.29 123.81 2ekx s HIS 69 Ca 0.52 -0.05 0.06 0.00 -0.15 0.00 0.00 55.06 55.45 2ekx s HIS 69 Cb -0.22 -1.48 -0.03 0.00 1.11 0.00 0.00 32.58 31.97 2ekx s HIS 69 CO 0.27 0.52 -0.18 0.99 -0.85 0.00 0.00 174.74 175.49 2ekx s THR 70 N -1.67 2.75 0.28 1.30 2.01 -1.26 -2.36 115.64 116.69 2ekx s THR 70 Ca 0.29 -1.02 0.08 0.00 0.31 0.00 0.00 61.69 61.35 2ekx s THR 70 Cb -0.10 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2ekx s THR 70 CO 0.21 0.46 0.18 0.21 -0.69 0.00 0.00 174.62 175.00 2ekx s ASN 71 N -1.06 5.27 0.29 3.53 2.47 -0.36 -4.89 114.94 120.20 2ekx s ASN 71 Ca 0.13 -0.40 0.13 0.00 0.42 0.00 0.00 52.86 53.15 2ekx s ASN 71 Cb -0.10 -1.18 0.99 0.00 -1.45 0.00 0.00 41.25 39.50 2ekx s ASN 71 CO 0.03 -0.12 1.29 0.00 -3.72 0.00 0.00 177.10 174.58 2ekx n ALA 72 N -1.18 0.74 -0.52 1.71 0.00 -1.26 0.22 120.51 120.23 2ekx n ALA 72 Ca -0.06 0.85 -0.08 0.00 0.00 0.00 0.00 53.44 54.14 2ekx n ALA 72 Cb 0.59 -0.79 0.02 0.00 0.00 0.00 0.00 19.45 19.27 2ekx n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ekx n GLU 73 N -4.93 1.41 -2.59 0.00 -0.58 -1.26 -4.78 120.64 107.91 2ekx n GLU 73 Ca 0.28 -0.82 -0.04 0.00 -0.42 0.00 0.00 57.16 56.17 2ekx n GLU 73 Cb 0.96 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 30.50 2ekx n GLU 73 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2ekx n ASN 74 N 0.75 -1.03 -4.69 1.62 4.13 0.59 -4.83 115.26 111.80 2ekx n ASN 74 Ca 0.16 0.33 -0.41 0.00 1.68 0.00 0.00 54.58 56.34 2ekx n ASN 74 Cb 0.58 -1.01 -0.04 0.00 -1.54 0.00 0.00 39.78 37.78 2ekx n ASN 74 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2ekx s LYS 75 N -4.99 4.40 0.14 3.52 1.02 -1.15 -4.76 119.74 117.91 2ekx s LYS 75 Ca 0.07 1.11 -0.07 0.00 0.02 0.00 0.00 55.97 57.10 2ekx s LYS 75 Cb -0.04 -3.52 -0.06 0.00 -0.52 0.00 0.00 37.83 33.69 2ekx s LYS 75 CO 0.09 -0.18 0.42 -0.51 -0.92 0.00 0.00 175.35 174.24 2ekx s LEU 76 N 1.58 4.27 -0.01 3.17 1.43 -1.26 -1.22 118.68 126.64 2ekx s LEU 76 Ca 0.42 0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 53.93 2ekx s LEU 76 Cb -0.18 -3.30 0.11 0.00 0.03 0.00 0.00 46.19 42.85 2ekx s LEU 76 CO 0.17 0.06 1.15 -0.72 0.23 0.00 0.00 176.35 177.24 2ekx s TYR 77 N -1.62 -0.11 -0.37 0.29 -0.85 -0.99 -2.73 117.35 110.96 2ekx s TYR 77 Ca 0.40 -0.03 0.11 0.00 -0.52 0.00 0.00 57.07 57.03 2ekx s TYR 77 Cb -0.12 0.56 -0.14 0.00 0.38 0.00 0.00 41.96 42.64 2ekx s TYR 77 CO 0.22 -0.42 0.41 1.28 -1.52 0.00 0.00 175.55 175.52 2ekx n LEU 78 N -0.38 0.36 -3.70 -3.49 4.77 -1.26 -1.19 117.00 112.11 2ekx n LEU 78 Ca -0.06 -0.35 -0.27 0.00 -0.03 0.00 0.00 56.01 55.31 2ekx n LEU 78 Cb 0.61 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.54 2ekx n LEU 78 CO 0.12 0.09 -0.36 0.00 -1.33 0.00 0.00 177.39 175.91 2ekx s ALA 79 N -2.29 0.81 0.49 -1.18 0.00 -1.26 -4.87 121.76 113.46 2ekx s ALA 79 Ca 0.02 -0.53 0.34 0.00 0.00 0.00 0.00 51.96 51.79 2ekx s ALA 79 Cb 0.08 -1.10 1.47 0.00 0.00 0.00 0.00 23.12 23.57 2ekx s ALA 79 CO 0.47 -1.11 1.70 0.93 0.00 0.00 0.00 175.76 177.75 2ekx h GLU 80 N 8.30 0.10 -0.97 0.00 5.08 -1.98 0.72 114.58 125.83 2ekx h GLU 80 Ca -0.16 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2ekx h GLU 80 Cb 1.13 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 2ekx h GLU 80 CO 0.31 0.06 0.63 -0.91 -1.00 0.00 0.00 179.01 178.11 2ekx h ASN 81 N 0.10 1.01 -0.81 1.42 4.21 -2.02 -3.43 115.58 116.06 2ekx h ASN 81 Ca 0.72 0.00 -0.65 0.00 1.21 0.00 0.00 56.30 57.59 2ekx h ASN 81 Cb 2.53 -0.22 -0.12 0.00 -1.12 0.00 0.00 38.32 39.39 2ekx h ASN 81 CO -0.19 0.67 -0.52 -0.31 -1.29 0.00 0.00 177.43 175.79 2ekx s TYR 82 N -6.00 2.07 0.21 1.19 2.02 0.25 -5.17 117.35 111.92 2ekx s TYR 82 Ca -0.12 -0.84 0.04 0.00 -0.37 0.00 0.00 57.07 55.78 2ekx s TYR 82 Cb 0.20 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 2ekx s TYR 82 CO 0.81 0.22 0.16 0.00 -1.57 0.00 0.00 175.55 175.16 2ekx n PHE 84 N -0.42 -1.97 -0.11 0.00 3.72 -1.11 -4.97 117.46 112.61 2ekx n PHE 84 Ca 0.03 -1.62 -0.22 0.00 -0.05 0.00 0.00 57.45 55.59 2ekx n PHE 84 Cb 0.37 0.71 -0.11 0.00 -0.94 0.00 0.00 39.48 39.51 2ekx n PHE 84 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2ekx n ASP 85 N -1.49 1.87 -1.98 4.37 2.03 -1.26 -4.35 116.55 115.74 2ekx n ASP 85 Ca -0.06 0.42 -0.06 0.00 0.52 0.00 0.00 54.79 55.61 2ekx n ASP 85 Cb 0.49 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 2ekx n ASP 85 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ekx n SER 86 N -4.41 -0.97 0.39 1.67 2.88 -1.26 -4.57 113.62 107.35 2ekx n SER 86 Ca -0.35 -1.90 -0.19 0.00 -1.33 0.00 0.00 58.87 55.11 2ekx n SER 86 Cb 0.69 1.69 -0.09 0.00 -0.75 0.00 0.00 64.21 65.75 2ekx n SER 86 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2ekx h ILE 87 N 1.52 0.14 -0.27 2.46 1.08 -1.97 -1.51 117.51 118.95 2ekx h ILE 87 Ca -0.16 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.20 2ekx h ILE 87 Cb 0.63 0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 2ekx h ILE 87 CO 0.21 0.00 -0.27 1.55 -0.69 0.00 0.00 178.15 178.94 2ekx h PRO 88 N -1.06 0.66 -0.14 2.37 0.13 -1.99 -2.98 132.00 129.00 2ekx h PRO 88 Ca -0.09 -0.35 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 2ekx h PRO 88 Cb 0.86 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2ekx h PRO 88 CO 0.10 0.96 0.16 0.87 -0.23 0.00 0.00 178.00 179.86 2ekx h LYS 89 N 0.39 0.00 0.07 0.86 6.56 -1.95 0.07 116.57 122.58 2ekx h LYS 89 Ca 0.04 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.39 2ekx h LYS 89 Cb 0.84 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.49 2ekx h LYS 89 CO 0.07 0.00 -1.15 1.25 -2.06 0.00 0.00 179.45 177.56 2ekx h LEU 90 N 0.00 0.24 -0.53 2.94 6.46 -1.12 -3.31 115.31 119.99 2ekx h LEU 90 Ca 0.07 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.54 2ekx h LEU 90 Cb 0.39 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 2ekx h LEU 90 CO -0.00 1.20 0.20 0.40 -0.62 0.00 0.00 178.44 179.62 2ekx h ILE 91 N 0.04 1.22 -0.85 4.05 1.08 -0.89 -2.08 117.51 120.08 2ekx h ILE 91 Ca -0.08 -0.71 0.10 0.00 -0.39 0.00 0.00 64.86 63.78 2ekx h ILE 91 Cb 1.89 0.70 -0.06 0.00 -3.07 0.00 0.00 36.82 36.27 2ekx h ILE 91 CO 0.17 0.27 0.55 -0.74 -0.69 0.00 0.00 178.15 177.71 2ekx h HIS 92 N 0.72 0.88 0.21 1.37 2.76 -1.59 0.26 115.15 119.77 2ekx h HIS 92 Ca 0.17 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2ekx h HIS 92 Cb 0.22 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.90 2ekx h HIS 92 CO 0.01 0.40 -0.10 -0.92 -1.30 0.00 0.00 177.93 176.02 2ekx h TYR 93 N 0.81 -0.27 0.46 5.26 3.20 -1.56 -3.06 116.97 121.81 2ekx h TYR 93 Ca 0.39 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 2ekx h TYR 93 Cb 0.44 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2ekx h TYR 93 CO -0.00 0.13 -0.30 0.45 -1.64 0.00 0.00 178.16 176.80 2ekx h HIS 94 N -0.81 -0.79 -1.05 -3.82 3.86 -1.06 0.94 115.15 112.42 2ekx h HIS 94 Ca -0.03 -0.01 0.37 0.00 -1.16 0.00 0.00 60.37 59.55 2ekx h HIS 94 Cb 0.51 0.28 -0.15 0.00 1.06 0.00 0.00 27.41 29.11 2ekx h HIS 94 CO 0.06 -0.45 0.61 0.37 0.86 0.00 0.00 177.93 179.37 2ekx h GLN 95 N -0.73 0.18 0.00 2.45 -0.00 -0.60 -3.11 115.11 113.30 2ekx h GLN 95 Ca -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 2ekx h GLN 95 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.04 2ekx h GLN 95 CO 0.04 0.12 0.00 0.72 0.00 0.00 0.00 178.83 179.71 2ekx n HIS 96 N -5.05 0.00 -3.68 3.99 8.25 -0.91 -4.65 115.22 113.17 2ekx n HIS 96 Ca 0.35 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.42 2ekx n HIS 96 Cb 1.15 -0.17 -0.12 0.00 1.12 0.00 0.00 29.99 31.97 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 -2.84 5.47 1.37 0.41 0.01 0.32 -5.04 114.94 114.62 2ekx s ASN 97 Ca 0.00 -0.58 -0.22 0.00 -0.71 0.00 0.00 52.86 51.34 2ekx s ASN 97 Cb 0.00 -1.98 0.34 0.00 0.41 0.00 0.00 41.25 40.02 2ekx s ASN 97 CO 0.00 -0.20 0.98 -1.54 -1.51 0.00 0.00 177.10 174.83 2ekx n SER 98 N 4.96 -3.11 -3.55 -1.22 3.41 -1.23 -3.56 113.62 109.31 2ekx n SER 98 Ca -0.14 -1.03 -0.17 0.00 -0.26 0.00 0.00 58.87 57.28 2ekx n SER 98 Cb 0.49 -1.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.38 2ekx n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ekx s ALA 99 N -2.58 -1.60 0.00 7.33 0.00 -1.26 -4.94 121.76 118.71 2ekx s ALA 99 Ca 0.69 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.76 2ekx s ALA 99 Cb -0.09 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2ekx s ALA 99 CO 0.55 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.35 2ekx n GLY 100 N 0.90 2.73 0.00 0.00 0.00 -1.26 -1.79 105.19 105.77 2ekx n GLY 100 Ca -0.19 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2ekx n GLY 100 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2ekx n MET 101 N 9.67 1.93 -2.18 1.61 0.00 -1.26 -4.99 117.12 121.89 2ekx n MET 101 Ca 0.00 -1.16 -0.37 0.00 0.00 0.00 0.00 57.70 56.17 2ekx n MET 101 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 33.22 32.31 2ekx n MET 101 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2ekx s ILE 102 N -0.67 3.48 0.03 3.17 -1.09 -0.74 -4.92 121.20 120.46 2ekx s ILE 102 Ca 0.00 0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.22 2ekx s ILE 102 Cb 0.00 -4.22 -0.15 0.00 -1.58 0.00 0.00 42.46 36.51 2ekx s ILE 102 CO 0.00 -1.18 0.75 0.41 -1.23 0.00 0.00 174.94 173.69 2ekx n THR 103 N 7.13 0.26 -1.77 2.92 -1.04 -1.26 -4.41 114.28 116.11 2ekx n THR 103 Ca 0.21 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.75 2ekx n THR 103 Cb 0.51 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.03 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 1.09 2.39 -2.58 -2.82 1.85 -1.26 -4.94 116.66 110.39 2ekx n ARG 104 Ca 0.15 0.85 -0.42 0.00 -1.00 0.00 0.00 57.85 57.43 2ekx n ARG 104 Cb 0.08 -2.65 -0.03 0.00 -1.05 0.00 0.00 32.46 28.82 2ekx n ARG 104 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2ekx s LEU 105 N -2.50 4.36 -0.13 2.89 1.43 -1.26 -4.87 118.68 118.60 2ekx s LEU 105 Ca 0.59 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.38 2ekx s LEU 105 Cb -0.46 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 2ekx s LEU 105 CO 0.59 -0.37 -0.22 0.54 0.23 0.00 0.00 176.35 177.12 2ekx n ARG 106 N 4.03 0.40 -3.96 1.70 5.12 -0.49 -4.73 116.66 118.73 2ekx n ARG 106 Ca 0.08 0.30 -0.10 0.00 -1.93 0.00 0.00 57.85 56.20 2ekx n ARG 106 Cb 0.49 -1.36 -0.12 0.00 -1.16 0.00 0.00 32.46 30.31 2ekx n ARG 106 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2ekx s HIS 107 N -2.30 0.22 0.70 -1.55 3.76 -1.26 -4.96 115.29 109.90 2ekx s HIS 107 Ca -0.18 -0.37 -0.13 0.00 -0.15 0.00 0.00 55.06 54.22 2ekx s HIS 107 Cb 0.03 -0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.58 2ekx s HIS 107 CO 0.27 -0.13 1.10 -1.25 -0.85 0.00 0.00 174.74 173.89 2ekx s PRO 108 N -1.03 2.62 -0.08 8.40 0.04 -1.26 -0.42 135.00 143.27 2ekx s PRO 108 Ca -0.11 1.31 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 2ekx s PRO 108 Cb -0.07 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.57 2ekx s PRO 108 CO -0.01 -1.38 0.20 0.08 0.04 0.00 0.00 177.00 175.94 2ekx s VAL 109 N -2.54 -0.02 -0.50 -0.36 1.01 0.85 -4.71 120.40 114.14 2ekx s VAL 109 Ca 0.65 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.75 2ekx s VAL 109 Cb -0.19 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 35.92 2ekx s VAL 109 CO 0.46 0.03 0.63 -1.54 0.00 0.00 0.00 175.10 174.68