#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekx n SER 2 N 0.00 -0.97 -4.18 1.61 7.64 -1.26 -4.84 113.62 111.62 2ekx n SER 2 Ca 0.00 -1.01 -0.39 0.00 1.01 0.00 0.00 58.87 58.48 2ekx n SER 2 Cb 0.00 -1.28 -0.09 0.00 -1.01 0.00 0.00 64.21 61.83 2ekx n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ekx s SER 3 N -3.10 5.60 0.00 6.43 0.01 -1.26 -4.97 113.70 116.41 2ekx s SER 3 Ca 0.52 -2.24 0.00 0.00 1.31 0.00 0.00 55.95 55.54 2ekx s SER 3 Cb -0.31 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2ekx s SER 3 CO 0.82 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2ekx n GLY 4 N 4.41 3.64 2.93 3.44 0.00 -1.26 -5.08 105.19 113.26 2ekx n GLY 4 Ca -0.01 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.24 2ekx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ekx s SER 5 N 0.00 1.34 0.00 1.61 0.01 -1.26 -4.79 113.70 110.61 2ekx s SER 5 Ca 0.00 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2ekx s SER 5 Cb 0.00 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.62 2ekx s SER 5 CO 0.00 -0.03 0.00 -1.54 0.41 0.00 0.00 173.24 172.08 2ekx n SER 6 N 4.07 -0.76 -4.45 2.44 3.41 -1.26 -4.83 113.62 112.23 2ekx n SER 6 Ca -0.23 0.38 -0.43 0.00 -0.26 0.00 0.00 58.87 58.33 2ekx n SER 6 Cb 0.51 -0.86 -0.09 0.00 -0.26 0.00 0.00 64.21 63.51 2ekx n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ekx s GLY 7 N -1.71 2.00 0.06 5.00 0.00 -1.26 -4.93 107.32 106.47 2ekx s GLY 7 Ca 0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 44.72 42.81 2ekx s GLY 7 CO 0.00 0.97 1.17 1.41 0.00 0.00 0.00 173.10 176.65 2ekx h LEU 8 N 8.70 0.82 -1.69 0.66 3.38 -1.98 -3.21 115.31 121.98 2ekx h LEU 8 Ca -0.27 -0.74 0.31 0.00 0.09 0.00 0.00 57.88 57.27 2ekx h LEU 8 Cb 1.12 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 2ekx h LEU 8 CO 0.76 1.45 0.76 -0.78 0.09 0.00 0.00 178.44 180.71 2ekx h ASP 9 N 0.27 0.21 -0.08 -0.43 3.58 -1.92 -2.51 116.42 115.54 2ekx h ASP 9 Ca -0.11 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.39 2ekx h ASP 9 Cb 1.58 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.63 2ekx h ASP 9 CO 0.18 0.03 -0.08 0.44 -2.88 0.00 0.00 179.24 176.93 2ekx h ASP 10 N 0.18 -0.28 -1.63 2.28 5.19 -1.92 -3.42 116.42 116.81 2ekx h ASP 10 Ca 0.58 0.04 -0.46 0.00 -0.62 0.00 0.00 57.03 56.56 2ekx h ASP 10 Cb 1.90 0.12 0.24 0.00 0.18 0.00 0.00 39.33 41.77 2ekx h ASP 10 CO -0.15 -0.05 -1.88 -1.22 -3.12 0.00 0.00 179.24 172.82 2ekx n TYR 11 N -3.15 -1.36 -0.13 4.55 4.01 -0.95 -4.97 117.16 115.16 2ekx n TYR 11 Ca -0.00 0.40 -0.27 0.00 -0.16 0.00 0.00 57.90 57.87 2ekx n TYR 11 Cb 0.05 -1.46 -0.10 0.00 -0.31 0.00 0.00 39.34 37.51 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 0.91 1.93 -0.30 7.72 8.00 -1.26 -4.44 116.55 129.10 2ekx n ASP 12 Ca -0.01 0.37 0.13 0.00 0.71 0.00 0.00 54.79 55.99 2ekx n ASP 12 Cb 0.68 -0.86 0.30 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.00 0.54 -1.27 1.24 5.08 -1.86 -3.36 115.95 115.31 2ekx h TRP 13 Ca -0.58 0.04 -0.33 0.00 1.08 0.00 0.00 58.89 59.10 2ekx h TRP 13 Cb 1.50 -0.10 -0.00 0.00 -3.00 0.00 0.00 29.16 27.56 2ekx h TRP 13 CO -0.05 -0.11 1.13 0.12 -1.28 0.00 0.00 178.44 178.24 2ekx s PHE 14 N -5.90 1.19 0.09 0.12 5.36 -1.26 -2.01 117.98 115.57 2ekx s PHE 14 Ca -0.12 1.56 -0.06 0.00 -0.96 0.00 0.00 56.93 57.34 2ekx s PHE 14 Cb 0.25 -3.62 -0.22 0.00 -0.34 0.00 0.00 43.02 39.09 2ekx s PHE 14 CO 0.78 -2.21 1.18 0.00 -1.46 0.00 0.00 175.22 173.51 2ekx h ALA 15 N 16.84 0.16 0.00 11.12 0.00 -0.97 -3.45 119.26 142.95 2ekx h ALA 15 Ca -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2ekx h ALA 15 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ekx h ALA 15 CO 1.13 0.86 0.00 0.41 0.00 0.00 0.00 179.25 181.65 2ekx n GLY 16 N 1.32 -0.89 3.55 0.00 0.00 -0.91 -4.81 105.19 103.45 2ekx n GLY 16 Ca -0.09 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 2ekx n GLY 16 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ekx n ASN 17 N 0.31 2.52 -3.98 1.61 0.23 -1.26 -3.28 115.26 111.42 2ekx n ASN 17 Ca 0.00 -0.13 -0.14 0.00 -0.53 0.00 0.00 54.58 53.78 2ekx n ASN 17 Cb 0.00 -1.51 -0.13 0.00 -2.08 0.00 0.00 39.78 36.06 2ekx n ASN 17 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 2ekx s ILE 18 N 10.21 0.35 0.21 1.53 -4.36 -1.26 -5.01 121.20 122.88 2ekx s ILE 18 Ca 1.02 -0.51 -0.30 0.00 -0.26 0.00 0.00 60.65 60.60 2ekx s ILE 18 Cb -0.36 -0.36 -0.08 0.00 1.25 0.00 0.00 42.46 42.91 2ekx s ILE 18 CO 0.33 -0.11 0.99 -0.55 0.24 0.00 0.00 174.94 175.83 2ekx s SER 19 N -0.67 7.52 0.49 4.36 0.15 -1.26 -4.83 113.70 119.45 2ekx s SER 19 Ca -0.04 1.99 0.36 0.00 0.70 0.00 0.00 55.95 58.96 2ekx s SER 19 Cb -0.05 -2.61 1.51 0.00 -1.71 0.00 0.00 66.02 63.16 2ekx s SER 19 CO -0.00 0.03 1.67 -0.09 1.20 0.00 0.00 173.24 176.04 2ekx h ARG 20 N 4.49 0.07 -0.14 5.44 1.12 -2.00 1.35 114.38 124.70 2ekx h ARG 20 Ca -0.45 -0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.24 2ekx h ARG 20 Cb 1.21 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 31.14 2ekx h ARG 20 CO 0.69 0.05 -0.63 0.77 -3.11 0.00 0.00 179.97 177.74 2ekx h SER 21 N 0.07 0.60 0.40 -3.80 0.02 -2.01 -3.25 113.55 105.58 2ekx h SER 21 Ca 0.77 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 2ekx h SER 21 Cb 2.73 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 65.10 2ekx h SER 21 CO -0.20 1.08 -0.19 1.56 -1.14 0.00 0.00 176.83 177.93 2ekx h GLN 22 N 0.38 -0.52 -0.73 3.45 1.08 0.14 -2.88 115.11 116.03 2ekx h GLN 22 Ca -0.01 0.04 0.24 0.00 -1.45 0.00 0.00 58.65 57.47 2ekx h GLN 22 Cb 1.19 0.12 -0.13 0.00 -0.05 0.00 0.00 27.48 28.61 2ekx h GLN 22 CO 0.12 -0.35 0.17 -1.13 -0.95 0.00 0.00 178.83 176.69 2ekx n SER 23 N -4.95 0.05 0.29 1.46 3.41 -0.51 -0.00 113.62 113.37 2ekx n SER 23 Ca -0.07 1.23 -0.12 0.00 -0.26 0.00 0.00 58.87 59.66 2ekx n SER 23 Cb 0.21 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.60 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 -0.75 -0.72 4.33 3.07 -1.61 -0.16 114.58 118.74 2ekx h GLU 24 Ca 0.52 0.05 0.16 0.00 -0.50 0.00 0.00 59.36 59.59 2ekx h GLU 24 Cb 1.21 0.17 -0.12 0.00 -0.84 0.00 0.00 28.75 29.18 2ekx h GLU 24 CO -0.64 -0.50 0.06 1.96 -1.40 0.00 0.00 179.01 178.48 2ekx h GLN 25 N -1.10 0.15 -0.26 2.33 1.08 -0.19 0.84 115.11 117.95 2ekx h GLN 25 Ca -0.08 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 2ekx h GLN 25 Cb 0.60 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 2ekx h GLN 25 CO 0.13 0.10 -0.20 -0.07 -0.95 0.00 0.00 178.83 177.84 2ekx h LEU 26 N 0.15 0.46 -0.40 1.46 3.38 -0.67 0.23 115.31 119.92 2ekx h LEU 26 Ca 0.40 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 2ekx h LEU 26 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2ekx h LEU 26 CO -0.59 0.68 -0.44 -0.07 0.09 0.00 0.00 178.44 178.11 2ekx h LEU 27 N 0.42 0.00 0.00 1.67 3.38 0.15 -3.22 115.31 117.71 2ekx h LEU 27 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2ekx h LEU 27 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2ekx h LEU 27 CO 0.04 0.44 -0.48 0.03 0.09 0.00 0.00 178.44 178.56 2ekx h ARG 28 N 0.00 0.00 -0.96 1.13 3.08 0.94 -3.37 114.38 115.20 2ekx h ARG 28 Ca -0.00 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.35 2ekx h ARG 28 Cb 1.18 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.06 2ekx h ARG 28 CO 0.06 0.43 0.29 -0.56 -1.07 0.00 0.00 179.97 179.12 2ekx h GLN 29 N -1.00 0.11 -0.93 0.04 3.07 -0.69 0.57 115.11 116.28 2ekx h GLN 29 Ca -0.09 -0.01 0.25 0.00 0.09 0.00 0.00 58.65 58.90 2ekx h GLN 29 Cb 0.67 -0.02 -0.14 0.00 0.08 0.00 0.00 27.48 28.07 2ekx h GLN 29 CO -0.05 0.07 0.40 -0.22 0.09 0.00 0.00 178.83 179.12 2ekx h LYS 30 N 0.11 0.32 -2.97 0.06 1.63 -1.71 -3.45 116.57 110.55 2ekx h LYS 30 Ca 0.66 -0.02 -0.22 0.00 -0.85 0.00 0.00 60.65 60.22 2ekx h LYS 30 Cb 1.50 -0.07 0.05 0.00 -0.60 0.00 0.00 32.23 33.11 2ekx h LYS 30 CO -0.76 0.21 -0.35 0.41 -3.45 0.00 0.00 179.45 175.51 2ekx n GLY 31 N -1.34 0.05 2.72 5.01 0.00 0.20 -5.01 105.19 106.82 2ekx n GLY 31 Ca 0.25 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.33 0.87 -0.15 1.61 -0.14 -1.26 -5.09 119.74 110.25 2ekx s LYS 32 Ca 0.21 -1.35 -0.33 0.00 -1.36 0.00 0.00 55.97 53.14 2ekx s LYS 32 Cb -0.09 -2.07 -0.10 0.00 -1.68 0.00 0.00 37.83 33.88 2ekx s LYS 32 CO 0.26 -1.04 1.99 0.39 -0.76 0.00 0.00 175.35 176.19 2ekx n GLU 33 N 4.45 2.01 0.00 1.68 4.71 -1.26 -1.49 120.64 130.73 2ekx n GLU 33 Ca 0.02 0.69 0.00 0.00 -0.01 0.00 0.00 57.16 57.86 2ekx n GLU 33 Cb 0.40 -2.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.10 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 4.97 1.85 3.67 0.62 0.00 -1.00 -4.88 105.19 110.40 2ekx n GLY 34 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.09 0.88 -2.55 4.61 0.00 -0.56 -1.47 120.51 121.32 2ekx n ALA 35 Ca 0.00 0.37 -0.26 0.00 0.00 0.00 0.00 53.44 53.55 2ekx n ALA 35 Cb 0.00 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.16 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 -1.05 2.03 0.07 0.00 -0.71 0.36 -0.28 117.98 118.41 2ekx s PHE 36 Ca 0.57 -0.96 -0.27 0.00 -1.04 0.00 0.00 56.93 55.23 2ekx s PHE 36 Cb -0.61 -1.42 0.08 0.00 -1.21 0.00 0.00 43.02 39.87 2ekx s PHE 36 CO 0.61 0.07 0.89 0.00 -1.34 0.00 0.00 175.22 175.45 2ekx s MET 37 N -3.81 1.02 -0.09 1.99 0.23 0.13 -0.52 119.30 118.25 2ekx s MET 37 Ca 0.28 -0.46 -0.01 0.00 -1.03 0.00 0.00 55.69 54.47 2ekx s MET 37 Cb 0.07 0.41 0.03 0.00 -1.53 0.00 0.00 34.83 33.80 2ekx s MET 37 CO 0.14 -0.46 -0.04 0.08 -2.03 0.00 0.00 175.02 172.71 2ekx s VAL 38 N -3.25 0.69 0.23 5.16 1.01 -0.85 -1.61 120.40 121.76 2ekx s VAL 38 Ca 0.07 -0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.08 2ekx s VAL 38 Cb -0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2ekx s VAL 38 CO -0.05 0.31 -0.19 0.00 0.00 0.00 0.00 175.10 175.17 2ekx s ARG 39 N 1.76 1.69 0.56 2.72 1.70 -0.32 -0.54 118.95 126.51 2ekx s ARG 39 Ca 0.03 -1.57 -0.20 0.00 -0.47 0.00 0.00 55.73 53.52 2ekx s ARG 39 Cb -0.13 -1.88 -0.05 0.00 -0.57 0.00 0.00 34.95 32.33 2ekx s ARG 39 CO -0.06 0.38 1.23 1.21 -1.08 0.00 0.00 175.30 176.97 2ekx s ASN 40 N -3.05 5.42 0.44 -2.89 2.47 -1.20 -1.77 114.94 114.34 2ekx s ASN 40 Ca 0.25 2.44 -0.09 0.00 0.42 0.00 0.00 52.86 55.88 2ekx s ASN 40 Cb -0.07 -2.61 -0.05 0.00 -1.45 0.00 0.00 41.25 37.07 2ekx s ASN 40 CO 0.13 -1.44 0.79 -0.55 -3.72 0.00 0.00 177.10 172.30 2ekx s SER 41 N -1.43 6.43 0.22 -4.21 0.15 -1.18 -4.59 113.70 109.10 2ekx s SER 41 Ca 0.73 1.09 -0.16 0.00 0.70 0.00 0.00 55.95 58.31 2ekx s SER 41 Cb -0.32 -2.31 0.25 0.00 -1.71 0.00 0.00 66.02 61.93 2ekx s SER 41 CO 0.36 -0.47 1.58 0.28 1.20 0.00 0.00 173.24 176.19 2ekx h SER 42 N 0.90 -1.10 -2.99 5.45 0.02 -1.95 -3.38 113.55 110.49 2ekx h SER 42 Ca -0.47 0.26 -0.65 0.00 -0.84 0.00 0.00 61.79 60.09 2ekx h SER 42 Cb 1.19 0.61 -0.11 0.00 0.14 0.00 0.00 62.40 64.23 2ekx h SER 42 CO 0.63 -0.29 -0.53 -1.10 -1.14 0.00 0.00 176.83 174.40 2ekx s GLN 43 N -6.08 3.53 -0.24 3.45 -0.21 -1.26 -5.03 119.66 113.82 2ekx s GLN 43 Ca -0.14 -0.24 -0.36 0.00 0.02 0.00 0.00 55.36 54.63 2ekx s GLN 43 Cb 0.20 -3.13 -0.13 0.00 1.00 0.00 0.00 33.01 30.95 2ekx s GLN 43 CO 0.72 0.61 1.96 1.55 -2.12 0.00 0.00 175.29 178.01 2ekx n VAL 44 N 2.50 0.36 0.00 1.09 3.14 -1.26 -3.50 118.33 120.66 2ekx n VAL 44 Ca -0.19 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 2ekx n VAL 44 Cb 0.54 -1.63 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 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 5.14 1.29 3.64 7.55 0.00 -1.26 -5.12 105.19 116.44 2ekx n GLY 45 Ca 0.31 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 0.55 -0.01 1.61 -1.94 -1.23 -4.96 119.30 113.32 2ekx s MET 46 Ca 0.00 0.92 0.01 0.00 -1.71 0.00 0.00 55.69 54.91 2ekx s MET 46 Cb 0.00 -1.72 0.01 0.00 2.01 0.00 0.00 34.83 35.13 2ekx s MET 46 CO 0.00 -2.75 -0.03 0.71 -0.01 0.00 0.00 175.02 172.93 2ekx s TYR 47 N -2.76 0.38 -0.37 -0.03 2.02 -1.26 -3.09 117.35 112.24 2ekx s TYR 47 Ca 0.65 -0.06 -0.12 0.00 -0.37 0.00 0.00 57.07 57.18 2ekx s TYR 47 Cb -0.21 -0.30 0.02 0.00 -0.40 0.00 0.00 41.96 41.07 2ekx s TYR 47 CO 0.59 -0.05 0.22 0.99 -1.57 0.00 0.00 175.55 175.73 2ekx s THR 48 N 0.24 4.73 -0.60 -0.71 2.01 -0.73 -1.54 115.64 119.05 2ekx s THR 48 Ca -0.02 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.09 2ekx s THR 48 Cb -0.05 -3.60 0.14 0.00 0.01 0.00 0.00 72.50 69.00 2ekx s THR 48 CO -0.00 -0.19 0.59 -0.69 -0.69 0.00 0.00 174.62 173.64 2ekx s VAL 49 N 1.59 5.17 0.05 3.82 1.01 0.07 -1.18 120.40 130.93 2ekx s VAL 49 Ca 0.03 -1.53 -0.02 0.00 0.00 0.00 0.00 61.98 60.47 2ekx s VAL 49 Cb -0.19 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2ekx s VAL 49 CO 0.07 -0.96 0.23 -0.44 0.00 0.00 0.00 175.10 174.00 2ekx s SER 50 N 3.41 6.39 -0.17 3.32 0.01 -0.64 -1.65 113.70 124.38 2ekx s SER 50 Ca 0.07 0.35 -0.22 0.00 1.31 0.00 0.00 55.95 57.47 2ekx s SER 50 Cb -0.26 -2.00 0.06 0.00 0.21 0.00 0.00 66.02 64.03 2ekx s SER 50 CO 0.02 0.19 0.58 -1.48 0.41 0.00 0.00 173.24 172.96 2ekx s LEU 51 N -2.32 -0.24 0.41 2.44 0.05 -0.95 0.21 118.68 118.28 2ekx s LEU 51 Ca 0.33 1.00 -0.09 0.00 0.05 0.00 0.00 54.13 55.42 2ekx s LEU 51 Cb -0.13 2.07 -0.06 0.00 -2.05 0.00 0.00 46.19 46.02 2ekx s LEU 51 CO 0.24 -0.31 0.76 0.12 -0.55 0.00 0.00 176.35 176.62 2ekx s PHE 52 N -0.14 3.49 -0.03 3.48 5.36 0.62 -2.37 117.98 128.39 2ekx s PHE 52 Ca -0.03 0.99 -0.30 0.00 -0.96 0.00 0.00 56.93 56.62 2ekx s PHE 52 Cb -0.03 -2.41 0.11 0.00 -0.34 0.00 0.00 43.02 40.35 2ekx s PHE 52 CO 0.03 -0.13 1.06 -1.54 -1.46 0.00 0.00 175.22 173.19 2ekx s SER 53 N -3.32 -0.21 0.18 6.13 1.04 -1.25 -2.39 113.70 113.88 2ekx s SER 53 Ca 0.50 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.86 2ekx s SER 53 Cb -0.10 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 2ekx s SER 53 CO 0.34 -0.51 -0.03 -0.54 0.98 0.00 0.00 173.24 173.47 2ekx s LYS 54 N -2.83 1.15 0.42 4.02 1.02 -1.26 -2.76 119.74 119.49 2ekx s LYS 54 Ca 0.09 -1.54 0.04 0.00 0.02 0.00 0.00 55.97 54.58 2ekx s LYS 54 Cb -0.00 -0.46 -0.04 0.00 -0.52 0.00 0.00 37.83 36.81 2ekx s LYS 54 CO -0.05 -0.06 0.05 0.00 -0.92 0.00 0.00 175.35 174.37 2ekx s ALA 55 N -3.50 3.19 0.05 5.17 0.00 -1.26 -5.06 121.76 120.35 2ekx s ALA 55 Ca 0.23 -1.45 -0.26 0.00 0.00 0.00 0.00 51.96 50.47 2ekx s ALA 55 Cb 0.05 0.38 -0.14 0.00 0.00 0.00 0.00 23.12 23.41 2ekx s ALA 55 CO 0.04 -0.19 1.40 0.28 0.00 0.00 0.00 175.76 177.29 2ekx h VAL 56 N 1.74 0.00 -3.26 0.00 2.07 -2.05 -3.34 116.25 111.41 2ekx h VAL 56 Ca -0.41 0.00 -0.77 0.00 0.82 0.00 0.00 66.70 66.34 2ekx h VAL 56 Cb 1.27 0.00 -0.24 0.00 -1.52 0.00 0.00 31.29 30.80 2ekx h VAL 56 CO 0.71 0.00 0.51 0.21 0.02 0.00 0.00 177.57 179.02 2ekx s ASN 57 N -3.47 6.93 -0.28 0.57 2.47 -1.26 -4.95 114.94 114.96 2ekx s ASN 57 Ca -0.14 -2.86 -0.17 0.00 0.42 0.00 0.00 52.86 50.11 2ekx s ASN 57 Cb 0.02 -2.27 0.10 0.00 -1.45 0.00 0.00 41.25 37.65 2ekx s ASN 57 CO 0.42 -0.61 0.81 -0.62 -3.72 0.00 0.00 177.10 173.38 2ekx s ASP 58 N 2.30 -0.75 -0.08 -4.21 2.15 -1.26 -5.06 116.67 109.77 2ekx s ASP 58 Ca 0.28 1.23 -0.27 0.00 0.43 0.00 0.00 52.55 54.22 2ekx s ASP 58 Cb -0.08 1.30 -0.24 0.00 -0.30 0.00 0.00 42.92 43.60 2ekx s ASP 58 CO -0.08 -0.20 0.99 0.11 -0.17 0.00 0.00 175.17 175.83 2ekx h LYS 59 N 6.33 0.06 -4.65 4.34 1.57 -1.92 -3.45 116.57 118.84 2ekx h LYS 59 Ca -0.29 -0.06 -0.56 0.00 -1.87 0.00 0.00 60.65 57.87 2ekx h LYS 59 Cb 1.21 0.02 -0.34 0.00 0.08 0.00 0.00 32.23 33.19 2ekx h LYS 59 CO 0.16 0.83 -0.83 -1.59 -0.57 0.00 0.00 179.45 177.46 2ekx s LYS 60 N -3.08 2.01 0.93 3.15 -2.85 -1.26 -5.13 119.74 113.51 2ekx s LYS 60 Ca -0.17 -0.49 -0.12 0.00 -1.00 0.00 0.00 55.97 54.18 2ekx s LYS 60 Cb -0.00 -1.72 0.06 0.00 -2.06 0.00 0.00 37.83 34.10 2ekx s LYS 60 CO 0.70 -0.05 0.59 0.41 0.10 0.00 0.00 175.35 177.11 2ekx n GLY 61 N 4.14 -1.58 3.30 0.59 0.00 -1.26 -5.01 105.19 105.36 2ekx n GLY 61 Ca -0.19 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.41 2.31 -0.15 2.61 2.01 -1.11 -4.98 115.64 113.93 2ekx s THR 62 Ca 0.60 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 2ekx s THR 62 Cb -0.23 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 2ekx s THR 62 CO 0.64 0.56 0.96 -0.69 -0.69 0.00 0.00 174.62 175.40 2ekx s VAL 63 N -0.05 4.80 0.17 3.82 1.01 -1.26 -3.93 120.40 124.96 2ekx s VAL 63 Ca -0.06 1.91 -0.01 0.00 0.00 0.00 0.00 61.98 63.82 2ekx s VAL 63 Cb -0.15 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2ekx s VAL 63 CO 0.05 -0.02 0.35 -0.54 0.00 0.00 0.00 175.10 174.94 2ekx s LYS 64 N 2.26 3.51 -0.14 2.72 3.01 -1.00 -4.97 119.74 125.12 2ekx s LYS 64 Ca 0.44 -0.37 -0.03 0.00 -1.01 0.00 0.00 55.97 55.01 2ekx s LYS 64 Cb -0.17 -2.88 0.05 0.00 -1.01 0.00 0.00 37.83 33.82 2ekx s LYS 64 CO 0.14 0.45 0.04 -3.38 0.51 0.00 0.00 175.35 173.11 2ekx s HIS 65 N -1.79 0.63 0.13 3.18 -3.43 -1.26 -2.23 115.29 110.52 2ekx s HIS 65 Ca 0.38 -0.44 0.03 0.00 -0.80 0.00 0.00 55.06 54.23 2ekx s HIS 65 Cb -0.11 -0.83 -0.04 0.00 -1.43 0.00 0.00 32.58 30.17 2ekx s HIS 65 CO 0.28 -0.47 0.20 0.71 -2.00 0.00 0.00 174.74 173.46 2ekx s TYR 66 N 1.99 3.36 0.09 0.38 2.02 -0.66 -4.94 117.35 119.59 2ekx s TYR 66 Ca 0.02 0.10 0.09 0.00 -0.37 0.00 0.00 57.07 56.90 2ekx s TYR 66 Cb -0.15 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 2ekx s TYR 66 CO -0.07 0.53 -0.20 -1.01 -1.57 0.00 0.00 175.55 173.23 2ekx s HIS 67 N -1.66 2.48 -0.46 2.71 3.76 -1.26 -0.75 115.29 120.11 2ekx s HIS 67 Ca 0.33 -0.30 -0.11 0.00 -0.15 0.00 0.00 55.06 54.84 2ekx s HIS 67 Cb -0.11 -1.36 0.10 0.00 1.11 0.00 0.00 32.58 32.31 2ekx s HIS 67 CO 0.26 0.32 0.33 0.08 -0.85 0.00 0.00 174.74 174.89 2ekx s VAL 68 N -1.04 4.46 0.38 -0.90 1.01 -0.59 -4.60 120.40 119.12 2ekx s VAL 68 Ca 0.16 -1.49 -0.24 0.00 0.00 0.00 0.00 61.98 60.41 2ekx s VAL 68 Cb -0.10 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 2ekx s VAL 68 CO 0.07 -0.64 0.98 -1.00 0.00 0.00 0.00 175.10 174.51 2ekx s HIS 69 N 1.45 3.46 -0.15 5.22 3.76 -1.06 -4.18 115.29 123.79 2ekx s HIS 69 Ca 0.04 1.70 -0.07 0.00 -0.15 0.00 0.00 55.06 56.58 2ekx s HIS 69 Cb -0.25 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.44 2ekx s HIS 69 CO 0.02 -0.12 0.09 0.99 -0.85 0.00 0.00 174.74 174.87 2ekx s THR 70 N -1.78 5.07 0.54 1.30 2.01 -1.26 -3.08 115.64 118.44 2ekx s THR 70 Ca 0.56 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.58 2ekx s THR 70 Cb -0.17 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.11 2ekx s THR 70 CO 0.22 0.53 0.81 0.21 -0.69 0.00 0.00 174.62 175.70 2ekx s ASN 71 N -0.29 5.59 0.37 3.53 3.84 0.89 -4.85 114.94 124.02 2ekx s ASN 71 Ca 0.10 0.46 0.14 0.00 0.21 0.00 0.00 52.86 53.77 2ekx s ASN 71 Cb -0.12 -1.51 0.99 0.00 -0.55 0.00 0.00 41.25 40.07 2ekx s ASN 71 CO 0.01 -0.98 1.78 0.00 -2.79 0.00 0.00 177.10 175.13 2ekx h ALA 72 N 0.03 2.05 -0.32 1.71 0.00 -1.99 0.74 119.26 121.48 2ekx h ALA 72 Ca -0.45 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2ekx h ALA 72 Cb 1.26 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2ekx h ALA 72 CO 0.58 -0.44 0.10 0.39 0.00 0.00 0.00 179.25 179.89 2ekx n GLU 73 N -4.67 2.28 -2.34 0.00 1.02 -1.26 -4.83 120.64 110.83 2ekx n GLU 73 Ca 0.24 -1.34 -0.19 0.00 -0.02 0.00 0.00 57.16 55.85 2ekx n GLU 73 Cb 0.76 -1.72 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.10 -5.51 -4.74 1.62 4.13 0.26 -4.96 115.26 106.16 2ekx n ASN 74 Ca 0.17 -0.01 -0.40 0.00 1.68 0.00 0.00 54.58 56.02 2ekx n ASN 74 Cb 0.79 -4.56 -0.05 0.00 -1.54 0.00 0.00 39.78 34.42 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 -4.92 4.60 -0.11 3.52 1.02 -1.21 -4.71 119.74 117.92 2ekx s LYS 75 Ca 0.00 1.26 -0.05 0.00 0.02 0.00 0.00 55.97 57.19 2ekx s LYS 75 Cb 0.00 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2ekx s LYS 75 CO 0.00 0.25 0.10 -0.51 -0.92 0.00 0.00 175.35 174.27 2ekx s LEU 76 N -0.03 4.15 -0.12 3.17 1.43 -1.26 -0.07 118.68 125.94 2ekx s LEU 76 Ca 0.43 0.37 -0.26 0.00 -1.03 0.00 0.00 54.13 53.64 2ekx s LEU 76 Cb -0.22 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.07 2ekx s LEU 76 CO 0.26 0.40 0.64 -0.72 0.23 0.00 0.00 176.35 177.16 2ekx s TYR 77 N -0.98 -0.64 -0.12 0.29 1.13 -1.18 -1.86 117.35 113.99 2ekx s TYR 77 Ca 0.14 1.29 0.19 0.00 -1.41 0.00 0.00 57.07 57.29 2ekx s TYR 77 Cb -0.12 0.32 -0.28 0.00 -1.10 0.00 0.00 41.96 40.78 2ekx s TYR 77 CO 0.03 -0.49 0.24 1.28 -2.51 0.00 0.00 175.55 174.10 2ekx n LEU 78 N 1.63 0.00 -4.27 -3.49 4.77 -1.26 -2.57 117.00 111.80 2ekx n LEU 78 Ca -0.17 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.49 2ekx n LEU 78 Cb 0.56 0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 41.76 2ekx n LEU 78 CO 0.17 0.28 -0.56 0.00 -1.33 0.00 0.00 177.39 175.94 2ekx s ALA 79 N -2.90 2.18 0.49 -1.18 0.00 -1.26 -4.79 121.76 114.30 2ekx s ALA 79 Ca -0.09 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 2ekx s ALA 79 Cb 0.09 -0.69 -0.07 0.00 0.00 0.00 0.00 23.12 22.45 2ekx s ALA 79 CO 0.83 0.42 1.31 0.39 0.00 0.00 0.00 175.76 178.71 2ekx n GLU 80 N 2.95 1.82 -2.15 0.00 1.02 -1.26 -2.63 120.64 120.40 2ekx n GLU 80 Ca -0.17 0.66 -0.07 0.00 -0.02 0.00 0.00 57.16 57.55 2ekx n GLU 80 Cb 0.52 -2.48 -0.00 0.00 -0.02 0.00 0.00 31.44 29.46 2ekx n GLU 80 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ekx n ASN 81 N -0.36 -2.68 -3.72 1.62 3.02 -1.26 -5.03 115.26 106.85 2ekx n ASN 81 Ca 0.08 -0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.49 2ekx n ASN 81 Cb 0.42 -1.99 -0.09 0.00 -0.61 0.00 0.00 39.78 37.51 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 -2.37 -0.45 -0.00 3.10 2.02 -1.08 -5.17 117.35 113.40 2ekx s TYR 82 Ca 0.00 1.06 0.03 0.00 -0.37 0.00 0.00 57.07 57.79 2ekx s TYR 82 Cb -0.00 0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.72 2ekx s TYR 82 CO 0.01 -0.27 -0.10 0.00 -1.57 0.00 0.00 175.55 173.62 2ekx n PHE 84 N 2.71 0.73 -0.01 0.00 3.01 -0.78 -5.03 117.46 118.09 2ekx n PHE 84 Ca -0.14 -2.05 -0.20 0.00 1.01 0.00 0.00 57.45 56.07 2ekx n PHE 84 Cb 0.56 -0.20 -0.14 0.00 -0.01 0.00 0.00 39.48 39.70 2ekx n PHE 84 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2ekx h ASP 85 N 1.07 0.28 -5.28 4.37 3.32 -1.85 -3.38 116.42 114.95 2ekx h ASP 85 Ca -0.32 -0.85 0.10 0.00 0.02 0.00 0.00 57.03 55.98 2ekx h ASP 85 Cb 1.02 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 2ekx h ASP 85 CO 0.52 1.43 0.48 -0.55 -1.72 0.00 0.00 179.24 179.41 2ekx s SER 86 N -6.84 0.01 0.07 6.45 0.15 -1.26 -4.79 113.70 107.49 2ekx s SER 86 Ca -0.19 -0.85 -0.35 0.00 0.70 0.00 0.00 55.95 55.25 2ekx s SER 86 Cb 0.02 0.62 -0.19 0.00 -1.71 0.00 0.00 66.02 64.77 2ekx s SER 86 CO 0.74 -1.24 1.59 0.40 1.20 0.00 0.00 173.24 175.94 2ekx h ILE 87 N 2.00 0.13 0.00 6.45 1.08 -1.96 0.04 117.51 125.25 2ekx h ILE 87 Ca -0.29 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.13 2ekx h ILE 87 Cb 1.23 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 2ekx h ILE 87 CO 0.38 0.00 -0.21 1.55 -0.69 0.00 0.00 178.15 179.18 2ekx h PRO 88 N -1.11 0.00 0.00 2.37 0.13 -2.01 -2.47 132.00 128.91 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 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2ekx h PRO 88 CO 0.13 0.21 -0.14 1.63 -0.23 0.00 0.00 178.00 179.60 2ekx n LYS 89 N -3.45 0.10 -0.10 0.86 5.02 -1.11 -3.86 118.16 115.63 2ekx n LYS 89 Ca -0.00 0.07 -0.20 0.00 -2.02 0.00 0.00 58.31 56.15 2ekx n LYS 89 Cb 0.38 -1.60 -0.11 0.00 -0.02 0.00 0.00 35.03 33.68 2ekx n LYS 89 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2ekx h LEU 90 N 0.00 0.00 -0.92 -0.35 6.46 -0.51 -3.38 115.31 116.61 2ekx h LEU 90 Ca 0.00 -0.52 0.25 0.00 -0.12 0.00 0.00 57.88 57.50 2ekx h LEU 90 Cb 0.59 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.38 2ekx h LEU 90 CO 0.00 1.39 0.38 0.40 -0.62 0.00 0.00 178.44 179.99 2ekx h ILE 91 N -1.00 0.36 -1.05 4.05 1.08 -1.64 0.41 117.51 119.72 2ekx h ILE 91 Ca -0.29 -0.10 0.28 0.00 -0.39 0.00 0.00 64.86 64.35 2ekx h ILE 91 Cb 1.21 0.03 -0.11 0.00 -3.07 0.00 0.00 36.82 34.88 2ekx h ILE 91 CO -0.18 0.06 0.65 -0.74 -0.69 0.00 0.00 178.15 177.25 2ekx h HIS 92 N 0.30 0.79 0.16 1.37 2.76 -1.73 0.48 115.15 119.28 2ekx h HIS 92 Ca 0.60 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.80 2ekx h HIS 92 Cb 1.25 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2ekx h HIS 92 CO -0.16 0.02 -0.08 1.88 -1.30 0.00 0.00 177.93 178.30 2ekx h TYR 93 N 0.43 -0.20 0.13 5.26 0.05 -0.39 -3.23 116.97 119.03 2ekx h TYR 93 Ca 0.64 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.43 2ekx h TYR 93 Cb 1.50 0.06 -0.04 0.00 1.01 0.00 0.00 36.73 39.27 2ekx h TYR 93 CO -0.00 -0.12 -0.50 0.45 -1.05 0.00 0.00 178.16 176.94 2ekx h HIS 94 N -0.71 -1.44 -0.79 4.88 3.86 -1.17 -0.31 115.15 119.46 2ekx h HIS 94 Ca -0.02 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 2ekx h HIS 94 Cb 0.16 0.61 -0.10 0.00 1.06 0.00 0.00 27.41 29.15 2ekx h HIS 94 CO 0.02 -0.56 -0.47 0.94 0.86 0.00 0.00 177.93 178.72 2ekx n GLN 95 N -5.28 -0.35 -0.22 2.45 7.27 0.17 0.93 117.38 122.36 2ekx n GLN 95 Ca -0.08 1.20 -0.04 0.00 0.07 0.00 0.00 57.00 58.15 2ekx n GLN 95 Cb 0.39 -1.76 0.06 0.00 2.41 0.00 0.00 30.24 31.34 2ekx n GLN 95 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2ekx h HIS 96 N 0.00 0.74 -1.91 3.69 3.86 -1.49 -3.43 115.15 116.61 2ekx h HIS 96 Ca 0.13 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 2ekx h HIS 96 Cb 0.33 -0.24 -0.22 0.00 1.06 0.00 0.00 27.41 28.34 2ekx h HIS 96 CO -0.82 0.43 0.06 0.54 0.86 0.00 0.00 177.93 179.00 2ekx s ASN 97 N -5.70 -0.90 1.04 2.45 2.20 0.27 -5.09 114.94 109.20 2ekx s ASN 97 Ca -0.13 1.41 -0.17 0.00 -0.94 0.00 0.00 52.86 53.03 2ekx s ASN 97 Cb 0.14 1.49 0.08 0.00 -2.00 0.00 0.00 41.25 40.96 2ekx s ASN 97 CO 0.76 -0.22 -0.10 -0.24 -2.94 0.00 0.00 177.10 174.35 2ekx n SER 98 N 4.39 -2.72 0.05 3.54 2.88 -1.06 -3.57 113.62 117.13 2ekx n SER 98 Ca -0.19 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 2ekx n SER 98 Cb 0.57 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2ekx n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ekx n ALA 99 N -4.24 3.00 -2.10 -1.46 0.00 -1.26 -4.83 120.51 109.61 2ekx n ALA 99 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2ekx n ALA 99 Cb 0.51 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 3.11 2.69 0.48 0.00 0.00 -1.26 -4.96 105.19 105.25 2ekx n GLY 100 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 1.62 -2.89 1.61 0.00 -1.26 -4.81 117.12 111.39 2ekx n MET 101 Ca 0.00 -0.94 -0.43 0.00 0.00 0.00 0.00 57.70 56.33 2ekx n MET 101 Cb 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 33.22 31.89 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 -1.71 4.59 0.52 3.17 -1.09 -1.26 -5.01 121.20 120.41 2ekx s ILE 102 Ca 0.24 0.75 -0.18 0.00 -2.23 0.00 0.00 60.65 59.23 2ekx s ILE 102 Cb 0.12 -4.34 -0.15 0.00 -1.58 0.00 0.00 42.46 36.52 2ekx s ILE 102 CO 0.18 -0.67 -0.15 0.41 -1.23 0.00 0.00 174.94 173.47 2ekx n THR 103 N 6.15 0.00 -2.56 2.92 -1.04 -1.26 -4.42 114.28 114.06 2ekx n THR 103 Ca 0.04 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.05 61.15 2ekx n THR 103 Cb 0.48 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.96 2ekx n THR 103 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2ekx s ARG 104 N -1.03 3.31 -0.37 -2.82 3.00 -1.26 -4.84 118.95 114.93 2ekx s ARG 104 Ca 0.55 -0.52 -0.45 0.00 -1.00 0.00 0.00 55.73 54.31 2ekx s ARG 104 Cb -0.47 -4.53 -0.20 0.00 0.00 0.00 0.00 34.95 29.75 2ekx s ARG 104 CO 0.66 -2.16 1.46 1.28 0.00 0.00 0.00 175.30 176.54 2ekx n LEU 105 N 9.17 0.91 -0.01 -0.88 4.77 -1.26 -4.86 117.00 124.84 2ekx n LEU 105 Ca 0.12 1.18 -0.22 0.00 -0.03 0.00 0.00 56.01 57.06 2ekx n LEU 105 Cb 0.49 -0.89 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 2ekx n LEU 105 CO 0.69 -1.11 -0.60 -0.09 -1.33 0.00 0.00 177.39 174.94 2ekx h ARG 106 N 4.50 0.23 -1.68 3.23 9.65 -1.59 -3.45 114.38 125.26 2ekx h ARG 106 Ca -0.46 -0.39 0.04 0.00 -1.10 0.00 0.00 59.98 58.08 2ekx h ARG 106 Cb 1.38 0.14 -0.22 0.00 -1.39 0.00 0.00 29.97 29.88 2ekx h ARG 106 CO 0.89 1.18 0.44 -1.01 2.80 0.00 0.00 179.97 184.28 2ekx s HIS 107 N -2.50 -0.46 0.51 2.20 3.76 -1.26 -4.93 115.29 112.61 2ekx s HIS 107 Ca -0.22 0.86 -0.21 0.00 -0.15 0.00 0.00 55.06 55.34 2ekx s HIS 107 Cb 0.06 0.42 -0.06 0.00 1.11 0.00 0.00 32.58 34.10 2ekx s HIS 107 CO 0.75 -0.39 1.14 -1.25 -0.85 0.00 0.00 174.74 174.14 2ekx s PRO 108 N -0.90 3.52 -0.01 8.40 0.04 -1.26 -0.48 135.00 144.31 2ekx s PRO 108 Ca -0.03 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2ekx s PRO 108 Cb -0.01 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2ekx s PRO 108 CO 0.02 -0.73 0.01 0.08 0.04 0.00 0.00 177.00 176.42 2ekx s VAL 109 N -1.68 -0.00 -2.69 -0.36 1.01 0.32 -4.78 120.40 112.22 2ekx s VAL 109 Ca 0.69 0.05 0.22 0.00 0.00 0.00 0.00 61.98 62.93 2ekx s VAL 109 Cb -0.26 -0.04 0.17 0.00 0.00 0.00 0.00 36.38 36.25 2ekx s VAL 109 CO 0.30 0.03 1.18 -1.20 0.00 0.00 0.00 175.10 175.41