#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 -4.62 1.61 7.64 -1.26 -4.83 113.62 111.20 2ekx n SER 2 Ca 0.00 -1.05 -0.42 0.00 1.01 0.00 0.00 58.87 58.41 2ekx n SER 2 Cb 0.00 -1.34 -0.05 0.00 -1.01 0.00 0.00 64.21 61.81 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 -3.19 6.66 0.00 6.43 0.01 -1.26 -4.57 113.70 117.79 2ekx s SER 3 Ca 0.53 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2ekx s SER 3 Cb -0.31 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2ekx s SER 3 CO 0.86 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2ekx n GLY 4 N 4.14 0.20 4.35 3.44 0.00 -1.26 -5.00 105.19 111.06 2ekx n GLY 4 Ca 0.03 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2ekx n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ekx n SER 5 N 0.00 -0.47 -0.21 1.61 3.41 -1.26 -4.79 113.62 111.91 2ekx n SER 5 Ca 0.00 -1.22 -0.05 0.00 -0.26 0.00 0.00 58.87 57.34 2ekx n SER 5 Cb 0.00 -1.54 0.01 0.00 -0.26 0.00 0.00 64.21 62.42 2ekx n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ekx h SER 6 N -1.25 -1.16 -0.84 4.04 0.87 -1.99 -3.42 113.55 109.80 2ekx h SER 6 Ca -0.61 0.23 -0.51 0.00 -1.23 0.00 0.00 61.79 59.67 2ekx h SER 6 Cb 1.35 0.58 0.09 0.00 -0.44 0.00 0.00 62.40 63.97 2ekx h SER 6 CO 0.78 -0.30 -0.45 0.61 -0.53 0.00 0.00 176.83 176.94 2ekx n GLY 7 N -1.44 -1.45 0.06 5.77 0.00 -1.26 -4.86 105.19 102.01 2ekx n GLY 7 Ca 0.04 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.41 2ekx n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ekx n LEU 8 N 1.58 0.65 0.02 0.99 7.94 -1.26 -3.87 117.00 123.05 2ekx n LEU 8 Ca 0.13 0.14 0.07 0.00 -1.11 0.00 0.00 56.01 55.24 2ekx n LEU 8 Cb 0.21 -0.10 0.31 0.00 0.53 0.00 0.00 43.42 44.37 2ekx n LEU 8 CO 0.43 -0.05 0.72 -0.90 -1.11 0.00 0.00 177.39 176.49 2ekx n ASP 9 N -2.22 0.09 -0.07 1.96 5.75 -1.26 -3.11 116.55 117.69 2ekx n ASP 9 Ca 0.01 0.52 -0.07 0.00 -0.01 0.00 0.00 54.79 55.24 2ekx n ASP 9 Cb 0.48 -0.54 -0.00 0.00 -1.03 0.00 0.00 41.12 40.02 2ekx n ASP 9 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2ekx h ASP 10 N 0.00 -0.02 -2.48 -1.12 3.32 -1.92 -3.43 116.42 110.77 2ekx h ASP 10 Ca 0.00 0.05 -0.29 0.00 0.02 0.00 0.00 57.03 56.81 2ekx h ASP 10 Cb 0.24 0.08 0.17 0.00 0.22 0.00 0.00 39.33 40.03 2ekx h ASP 10 CO 0.00 0.02 -0.17 -1.22 -1.72 0.00 0.00 179.24 176.16 2ekx n TYR 11 N -5.11 -3.11 -0.06 4.55 4.01 -1.18 -5.00 117.16 111.26 2ekx n TYR 11 Ca -0.00 -0.43 -0.10 0.00 -0.16 0.00 0.00 57.90 57.20 2ekx n TYR 11 Cb 0.13 -1.36 -0.05 0.00 -0.31 0.00 0.00 39.34 37.74 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 -3.67 2.23 0.08 7.72 9.92 -1.26 -4.58 116.55 127.00 2ekx n ASP 12 Ca 0.10 0.02 0.17 0.00 -0.53 0.00 0.00 54.79 54.55 2ekx n ASP 12 Cb 0.47 -0.26 0.68 0.00 -0.64 0.00 0.00 41.12 41.37 2ekx n ASP 12 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 2ekx h TRP 13 N -0.18 0.00 -1.76 1.24 5.08 -1.90 -3.31 115.95 115.12 2ekx h TRP 13 Ca -0.29 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.16 2ekx h TRP 13 Cb 1.37 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.45 2ekx h TRP 13 CO -0.01 0.00 1.20 0.12 -1.28 0.00 0.00 178.44 178.47 2ekx s PHE 14 N -5.01 2.19 0.04 0.12 5.36 -1.26 -0.41 117.98 119.01 2ekx s PHE 14 Ca -0.05 -0.06 -0.20 0.00 -0.96 0.00 0.00 56.93 55.66 2ekx s PHE 14 Cb 0.19 -4.50 -0.15 0.00 -0.34 0.00 0.00 43.02 38.22 2ekx s PHE 14 CO 0.71 -2.04 1.30 0.00 -1.46 0.00 0.00 175.22 173.72 2ekx h ALA 15 N 10.94 0.21 0.00 11.12 0.00 -0.37 -3.47 119.26 137.68 2ekx h ALA 15 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ekx h ALA 15 Cb 1.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ekx h ALA 15 CO 1.30 0.17 0.00 0.41 0.00 0.00 0.00 179.25 181.13 2ekx n GLY 16 N 0.37 -0.70 3.60 0.00 0.00 -1.12 -4.93 105.19 102.41 2ekx n GLY 16 Ca -0.07 -1.98 -0.44 0.00 0.00 0.00 0.00 46.02 43.54 2ekx n GLY 16 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ekx n ASN 17 N 0.00 3.29 -4.12 1.61 5.15 -1.26 -2.24 115.26 117.69 2ekx n ASN 17 Ca 0.00 0.31 -0.08 0.00 -0.60 0.00 0.00 54.58 54.21 2ekx n ASN 17 Cb 0.00 -1.53 -0.10 0.00 -0.53 0.00 0.00 39.78 37.62 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 7.75 0.20 0.21 -1.44 -4.36 -1.26 -4.97 121.20 117.33 2ekx s ILE 18 Ca 1.00 -1.85 0.03 0.00 -0.26 0.00 0.00 60.65 59.57 2ekx s ILE 18 Cb -0.39 -1.72 -0.03 0.00 1.25 0.00 0.00 42.46 41.56 2ekx s ILE 18 CO 0.37 -0.79 0.35 -0.55 0.24 0.00 0.00 174.94 174.56 2ekx s SER 19 N -2.97 6.33 0.49 4.36 0.15 -1.26 -4.89 113.70 115.90 2ekx s SER 19 Ca 0.14 0.16 0.33 0.00 0.70 0.00 0.00 55.95 57.27 2ekx s SER 19 Cb 0.08 -1.90 1.44 0.00 -1.71 0.00 0.00 66.02 63.92 2ekx s SER 19 CO -0.05 -0.04 1.73 -0.09 1.20 0.00 0.00 173.24 175.98 2ekx h ARG 20 N 1.56 0.12 0.13 5.44 2.43 -2.02 -0.06 114.38 121.98 2ekx h ARG 20 Ca -0.50 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2ekx h ARG 20 Cb 1.21 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2ekx h ARG 20 CO 0.64 0.08 -0.06 0.66 -1.51 0.00 0.00 179.97 179.78 2ekx h SER 21 N 0.12 -0.15 -0.65 -3.80 4.64 -1.99 -3.24 113.55 108.49 2ekx h SER 21 Ca 0.68 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 62.12 2ekx h SER 21 Cb 2.35 0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 64.35 2ekx h SER 21 CO -0.17 0.30 -0.28 1.56 -0.87 0.00 0.00 176.83 177.38 2ekx h GLN 22 N -0.99 -0.09 -0.84 4.77 4.20 -1.68 0.82 115.11 121.29 2ekx h GLN 22 Ca -0.02 0.01 0.24 0.00 0.06 0.00 0.00 58.65 58.94 2ekx h GLN 22 Cb 0.13 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2ekx h GLN 22 CO 0.03 -0.06 0.61 0.66 -0.67 0.00 0.00 178.83 179.39 2ekx h SER 23 N -0.10 0.01 0.44 1.46 4.64 -1.20 0.19 113.55 118.98 2ekx h SER 23 Ca 0.28 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.29 2ekx h SER 23 Cb 0.54 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 2ekx h SER 23 CO -0.71 0.00 -1.70 -0.33 -0.87 0.00 0.00 176.83 173.23 2ekx h GLU 24 N 0.01 0.10 0.37 4.77 5.08 0.35 -3.27 114.58 121.99 2ekx h GLU 24 Ca 0.40 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2ekx h GLU 24 Cb 1.60 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2ekx h GLU 24 CO -0.01 0.79 -0.18 0.37 -1.00 0.00 0.00 179.01 178.98 2ekx h GLN 25 N 0.03 -0.48 0.22 2.33 4.15 0.26 -2.75 115.11 118.86 2ekx h GLN 25 Ca -0.29 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.17 2ekx h GLN 25 Cb 2.00 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 29.76 2ekx h GLN 25 CO 0.10 -0.16 -0.48 -0.07 -1.93 0.00 0.00 178.83 176.28 2ekx h LEU 26 N -0.89 -1.41 -0.33 -2.39 3.38 -0.98 0.22 115.31 112.91 2ekx h LEU 26 Ca -0.05 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2ekx h LEU 26 Cb 0.54 0.51 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 2ekx h LEU 26 CO 0.08 -0.56 -0.31 -0.07 0.09 0.00 0.00 178.44 177.67 2ekx h LEU 27 N -0.78 -1.08 0.29 1.67 3.38 -1.66 0.12 115.31 117.25 2ekx h LEU 27 Ca -0.01 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2ekx h LEU 27 Cb 0.76 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2ekx h LEU 27 CO -0.21 -0.19 -0.52 0.03 0.09 0.00 0.00 178.44 177.64 2ekx h ARG 28 N -0.14 -0.83 -0.98 1.13 3.08 -1.35 -2.43 114.38 112.86 2ekx h ARG 28 Ca 0.06 0.06 0.19 0.00 0.07 0.00 0.00 59.98 60.35 2ekx h ARG 28 Cb 0.29 0.19 -0.18 0.00 0.08 0.00 0.00 29.97 30.35 2ekx h ARG 28 CO -0.39 -0.56 -0.28 1.96 -1.07 0.00 0.00 179.97 179.64 2ekx h GLN 29 N -0.87 -0.00 -0.43 0.04 1.08 -0.09 -0.52 115.11 114.33 2ekx h GLN 29 Ca -0.03 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.21 2ekx h GLN 29 Cb 0.81 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.17 2ekx h GLN 29 CO -0.19 -0.00 -0.38 -0.22 -0.95 0.00 0.00 178.83 177.09 2ekx h LYS 30 N -0.00 -0.15 0.00 1.46 1.63 -0.27 -3.46 116.57 115.78 2ekx h LYS 30 Ca 0.44 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 2ekx h LYS 30 Cb 0.69 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2ekx h LYS 30 CO -1.00 -0.10 0.00 0.41 -3.45 0.00 0.00 179.45 175.31 2ekx n GLY 31 N -1.22 3.37 3.47 5.01 0.00 -0.21 -5.01 105.19 110.61 2ekx n GLY 31 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 2ekx n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ekx n LYS 32 N -1.61 0.89 -1.61 1.61 4.76 -1.26 -4.81 118.16 116.13 2ekx n LYS 32 Ca 0.00 0.18 -0.54 0.00 -2.87 0.00 0.00 58.31 55.08 2ekx n LYS 32 Cb 0.00 -2.50 -0.06 0.00 -1.84 0.00 0.00 35.03 30.62 2ekx n LYS 32 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2ekx n GLU 33 N 8.42 1.05 -2.62 1.97 1.02 -1.26 -0.25 120.64 128.97 2ekx n GLU 33 Ca 0.45 0.38 -0.18 0.00 -0.02 0.00 0.00 57.16 57.79 2ekx n GLU 33 Cb 0.26 -2.02 0.01 0.00 -0.02 0.00 0.00 31.44 29.67 2ekx n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ekx n GLY 34 N 2.82 -0.31 3.68 0.62 0.00 -1.23 -4.34 105.19 106.43 2ekx n GLY 34 Ca 0.20 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.96 1.47 0.10 4.61 0.00 0.66 -1.04 121.76 124.60 2ekx s ALA 35 Ca 0.13 0.38 -0.10 0.00 0.00 0.00 0.00 51.96 52.37 2ekx s ALA 35 Cb -0.06 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2ekx s ALA 35 CO 0.16 -2.59 0.24 -0.59 0.00 0.00 0.00 175.76 172.97 2ekx s PHE 36 N -2.72 0.08 0.29 0.00 -0.71 0.86 -0.74 117.98 115.05 2ekx s PHE 36 Ca 0.65 -0.49 -0.11 0.00 -1.04 0.00 0.00 56.93 55.95 2ekx s PHE 36 Cb -0.21 0.01 0.04 0.00 -1.21 0.00 0.00 43.02 41.65 2ekx s PHE 36 CO 0.58 -0.58 0.57 0.00 -1.34 0.00 0.00 175.22 174.45 2ekx n MET 37 N -0.10 0.82 -3.67 1.99 0.00 -0.45 0.13 117.12 115.85 2ekx n MET 37 Ca -0.15 -1.62 -0.08 0.00 0.00 0.00 0.00 57.70 55.84 2ekx n MET 37 Cb 0.63 2.02 -0.09 0.00 0.00 0.00 0.00 33.22 35.78 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 -2.35 -0.26 0.36 3.17 1.01 0.45 -3.03 120.40 119.75 2ekx s VAL 38 Ca 0.12 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.25 2ekx s VAL 38 Cb -0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 2ekx s VAL 38 CO 0.09 0.03 0.38 0.00 0.00 0.00 0.00 175.10 175.60 2ekx s ARG 39 N 1.88 2.78 -0.20 2.72 1.70 -0.85 0.25 118.95 127.23 2ekx s ARG 39 Ca -0.07 -1.28 -0.13 0.00 -0.47 0.00 0.00 55.73 53.77 2ekx s ARG 39 Cb -0.09 -2.56 -0.04 0.00 -0.57 0.00 0.00 34.95 31.69 2ekx s ARG 39 CO -0.15 -0.01 0.29 1.21 -1.08 0.00 0.00 175.30 175.56 2ekx s ASN 40 N -4.10 6.34 0.57 -2.89 3.84 -0.95 -3.80 114.94 113.96 2ekx s ASN 40 Ca 0.45 0.40 0.06 0.00 0.21 0.00 0.00 52.86 53.98 2ekx s ASN 40 Cb -0.06 -2.17 0.06 0.00 -0.55 0.00 0.00 41.25 38.52 2ekx s ASN 40 CO 0.28 0.04 0.53 -0.44 -2.79 0.00 0.00 177.10 174.72 2ekx s SER 41 N 0.80 4.72 0.59 -4.21 0.01 -1.26 -4.49 113.70 109.86 2ekx s SER 41 Ca 0.15 -1.19 -0.16 0.00 1.31 0.00 0.00 55.95 56.06 2ekx s SER 41 Cb -0.14 0.53 -0.13 0.00 0.21 0.00 0.00 66.02 66.49 2ekx s SER 41 CO 0.05 -1.25 -0.30 -0.24 0.41 0.00 0.00 173.24 171.90 2ekx n SER 42 N -1.95 -3.94 -1.74 2.44 2.88 -1.26 -4.72 113.62 105.32 2ekx n SER 42 Ca 0.03 0.45 -0.08 0.00 -1.33 0.00 0.00 58.87 57.94 2ekx n SER 42 Cb 0.64 -0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 63.34 2ekx n SER 42 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2ekx n GLN 43 N 1.62 1.45 -2.15 -1.46 7.27 -1.26 -4.11 117.38 118.75 2ekx n GLN 43 Ca 0.04 -0.68 -0.25 0.00 0.07 0.00 0.00 57.00 56.17 2ekx n GLN 43 Cb 0.44 -1.39 0.02 0.00 2.41 0.00 0.00 30.24 31.71 2ekx n GLN 43 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2ekx n VAL 44 N 1.39 2.53 -3.42 1.69 0.31 -1.26 -4.94 118.33 114.62 2ekx n VAL 44 Ca 0.18 -4.41 -0.17 0.00 -0.01 0.00 0.00 64.34 59.92 2ekx n VAL 44 Cb 0.60 -1.18 0.08 0.00 -0.91 0.00 0.00 33.84 32.42 2ekx n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ekx n GLY 45 N -0.64 -0.58 3.14 2.92 0.00 -1.26 -5.02 105.19 103.75 2ekx n GLY 45 Ca 0.43 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.61 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 -5.21 0.76 -0.01 1.61 -1.94 -1.26 -4.90 119.30 108.35 2ekx s MET 46 Ca 0.13 -1.22 -0.28 0.00 -1.71 0.00 0.00 55.69 52.61 2ekx s MET 46 Cb -0.02 0.25 0.09 0.00 2.01 0.00 0.00 34.83 37.16 2ekx s MET 46 CO 0.75 -0.19 0.80 0.71 -0.01 0.00 0.00 175.02 177.07 2ekx s TYR 47 N -3.94 -0.47 -0.09 -0.03 2.02 -1.26 -4.21 117.35 109.37 2ekx s TYR 47 Ca 0.11 0.53 0.02 0.00 -0.37 0.00 0.00 57.07 57.36 2ekx s TYR 47 Cb 0.07 0.50 0.01 0.00 -0.40 0.00 0.00 41.96 42.14 2ekx s TYR 47 CO -0.07 -0.59 -0.15 0.99 -1.57 0.00 0.00 175.55 174.16 2ekx s THR 48 N -2.43 1.41 -0.43 -0.71 2.01 -1.25 0.14 115.64 114.39 2ekx s THR 48 Ca -0.01 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.31 2ekx s THR 48 Cb -0.01 -1.28 0.10 0.00 0.01 0.00 0.00 72.50 71.33 2ekx s THR 48 CO -0.04 0.42 0.25 -0.69 -0.69 0.00 0.00 174.62 173.87 2ekx s VAL 49 N 0.73 3.75 -0.20 3.82 1.01 0.16 -2.00 120.40 127.67 2ekx s VAL 49 Ca -0.13 -1.81 -0.10 0.00 0.00 0.00 0.00 61.98 59.95 2ekx s VAL 49 Cb -0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2ekx s VAL 49 CO 0.03 -0.65 0.13 -0.44 0.00 0.00 0.00 175.10 174.17 2ekx s SER 50 N 2.14 6.18 0.05 3.32 0.01 -1.17 -2.16 113.70 122.07 2ekx s SER 50 Ca 0.06 0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.56 2ekx s SER 50 Cb -0.24 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 2ekx s SER 50 CO -0.02 0.17 -0.10 -1.48 0.41 0.00 0.00 173.24 172.22 2ekx s LEU 51 N 0.44 2.27 -0.05 2.44 0.05 -1.03 -1.34 118.68 121.47 2ekx s LEU 51 Ca 0.08 -0.59 -0.03 0.00 0.05 0.00 0.00 54.13 53.64 2ekx s LEU 51 Cb -0.11 -0.29 -0.04 0.00 -2.05 0.00 0.00 46.19 43.70 2ekx s LEU 51 CO -0.01 -0.17 0.09 0.12 -0.55 0.00 0.00 176.35 175.83 2ekx s PHE 52 N -1.42 3.37 -0.01 3.48 5.36 0.09 -2.18 117.98 126.67 2ekx s PHE 52 Ca -0.06 0.30 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 2ekx s PHE 52 Cb -0.09 -1.81 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 2ekx s PHE 52 CO 0.01 0.59 -0.03 0.45 -1.46 0.00 0.00 175.22 174.78 2ekx s SER 53 N -1.44 0.45 -0.11 6.13 0.15 -0.62 -2.16 113.70 116.09 2ekx s SER 53 Ca 0.20 -0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.76 2ekx s SER 53 Cb -0.12 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 2ekx s SER 53 CO 0.10 0.03 -0.03 -0.75 1.20 0.00 0.00 173.24 173.79 2ekx s LYS 54 N 0.05 3.24 0.28 5.44 2.47 -1.26 -1.56 119.74 128.40 2ekx s LYS 54 Ca -0.00 -0.49 0.10 0.00 -1.56 0.00 0.00 55.97 54.02 2ekx s LYS 54 Cb -0.03 -2.80 -0.05 0.00 -1.46 0.00 0.00 37.83 33.48 2ekx s LYS 54 CO -0.00 0.49 -0.16 0.00 0.16 0.00 0.00 175.35 175.83 2ekx s ALA 55 N -0.30 2.66 -0.01 3.13 0.00 -1.26 -4.95 121.76 121.04 2ekx s ALA 55 Ca 0.05 -1.90 -0.24 0.00 0.00 0.00 0.00 51.96 49.87 2ekx s ALA 55 Cb -0.12 -0.15 -0.17 0.00 0.00 0.00 0.00 23.12 22.68 2ekx s ALA 55 CO 0.02 0.18 1.16 0.28 0.00 0.00 0.00 175.76 177.41 2ekx h VAL 56 N 2.26 0.79 -0.14 0.00 2.07 -2.02 -3.14 116.25 116.06 2ekx h VAL 56 Ca -0.40 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 2ekx h VAL 56 Cb 1.25 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2ekx h VAL 56 CO 0.63 0.15 0.12 -3.20 0.02 0.00 0.00 177.57 175.29 2ekx n ASN 57 N -5.06 5.58 -4.30 0.57 2.85 -1.26 -4.83 115.26 108.81 2ekx n ASN 57 Ca -0.09 -2.59 -0.27 0.00 -0.11 0.00 0.00 54.58 51.52 2ekx n ASN 57 Cb 0.26 -1.09 -0.14 0.00 1.24 0.00 0.00 39.78 40.05 2ekx n ASN 57 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2ekx s ASP 58 N 1.43 2.77 -0.01 1.20 1.11 -1.19 -5.07 116.67 116.91 2ekx s ASP 58 Ca 0.09 -0.60 -0.16 0.00 0.18 0.00 0.00 52.55 52.06 2ekx s ASP 58 Cb 0.07 -0.21 -0.09 0.00 1.07 0.00 0.00 42.92 43.76 2ekx s ASP 58 CO -0.00 0.17 0.76 0.11 1.18 0.00 0.00 175.17 177.38 2ekx h LYS 59 N 4.55 -0.54 0.00 8.23 6.56 -1.88 -3.44 116.57 130.05 2ekx h LYS 59 Ca -0.45 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.17 2ekx h LYS 59 Cb 1.16 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 2ekx h LYS 59 CO 0.42 -0.36 -0.95 1.63 -2.06 0.00 0.00 179.45 178.13 2ekx n LYS 60 N -4.57 1.71 0.00 3.15 4.01 -1.26 -5.12 118.16 116.09 2ekx n LYS 60 Ca -0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 2ekx n LYS 60 Cb 0.22 -0.98 0.00 0.00 -0.51 0.00 0.00 35.03 33.77 2ekx n LYS 60 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ekx n GLY 61 N 3.17 4.28 3.57 0.72 0.00 -1.26 -4.88 105.19 110.78 2ekx n GLY 61 Ca 0.00 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.00 3.60 -0.21 2.61 2.01 -0.60 -4.99 115.64 116.05 2ekx s THR 62 Ca 0.00 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 2ekx s THR 62 Cb 0.00 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.03 2ekx s THR 62 CO 0.00 0.56 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.73 2ekx s VAL 63 N -0.84 3.19 -0.03 3.82 1.01 -1.26 -1.59 120.40 124.71 2ekx s VAL 63 Ca 0.13 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2ekx s VAL 63 Cb -0.11 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2ekx s VAL 63 CO 0.02 0.44 0.27 -0.54 0.00 0.00 0.00 175.10 175.30 2ekx s LYS 64 N 1.38 3.63 -0.10 2.72 1.02 -0.93 -5.00 119.74 122.47 2ekx s LYS 64 Ca 0.05 0.04 0.03 0.00 0.02 0.00 0.00 55.97 56.11 2ekx s LYS 64 Cb -0.14 -3.14 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 2ekx s LYS 64 CO -0.04 0.69 -0.19 -3.38 -0.92 0.00 0.00 175.35 171.51 2ekx s HIS 65 N -1.17 2.65 0.13 3.18 -3.43 -1.26 -2.45 115.29 112.93 2ekx s HIS 65 Ca 0.23 -0.73 0.09 0.00 -0.80 0.00 0.00 55.06 53.85 2ekx s HIS 65 Cb -0.14 -1.73 -0.04 0.00 -1.43 0.00 0.00 32.58 29.24 2ekx s HIS 65 CO 0.12 -0.23 -0.20 0.71 -2.00 0.00 0.00 174.74 173.13 2ekx s TYR 66 N 0.13 1.85 -0.28 0.38 2.02 -0.92 -5.00 117.35 115.52 2ekx s TYR 66 Ca -0.10 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 2ekx s TYR 66 Cb -0.16 -0.97 0.08 0.00 -0.40 0.00 0.00 41.96 40.51 2ekx s TYR 66 CO 0.06 0.27 -0.00 -1.01 -1.57 0.00 0.00 175.55 173.30 2ekx s HIS 67 N -1.53 2.78 -0.67 2.71 3.76 -1.26 -0.66 115.29 120.40 2ekx s HIS 67 Ca 0.11 -2.19 -0.24 0.00 -0.15 0.00 0.00 55.06 52.59 2ekx s HIS 67 Cb -0.08 -2.05 -0.16 0.00 1.11 0.00 0.00 32.58 31.41 2ekx s HIS 67 CO 0.05 -0.86 1.91 0.28 -0.85 0.00 0.00 174.74 175.27 2ekx n VAL 68 N 4.55 0.00 -2.11 -0.90 0.31 0.37 -4.80 118.33 115.75 2ekx n VAL 68 Ca -0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.87 2ekx n VAL 68 Cb 0.43 -0.36 -0.02 0.00 -0.91 0.00 0.00 33.84 32.97 2ekx n VAL 68 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2ekx s HIS 69 N 6.23 3.05 -0.17 3.52 3.76 -0.52 -4.43 115.29 126.74 2ekx s HIS 69 Ca 0.97 1.40 -0.01 0.00 -0.15 0.00 0.00 55.06 57.28 2ekx s HIS 69 Cb -0.94 -3.68 -0.01 0.00 1.11 0.00 0.00 32.58 29.06 2ekx s HIS 69 CO 0.38 -1.88 -0.11 0.99 -0.85 0.00 0.00 174.74 173.26 2ekx s THR 70 N -1.09 3.01 0.54 1.30 2.01 -1.25 -1.83 115.64 118.32 2ekx s THR 70 Ca 0.49 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.77 2ekx s THR 70 Cb -0.40 -2.30 0.12 0.00 0.01 0.00 0.00 72.50 69.93 2ekx s THR 70 CO 0.52 0.49 0.74 -3.20 -0.69 0.00 0.00 174.62 172.49 2ekx n ASN 71 N 4.08 0.30 -0.31 3.53 2.85 -0.15 -4.81 115.26 120.75 2ekx n ASN 71 Ca -0.19 -1.42 -0.02 0.00 -0.11 0.00 0.00 54.58 52.84 2ekx n ASN 71 Cb 0.52 -0.54 0.10 0.00 1.24 0.00 0.00 39.78 41.09 2ekx n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ekx h ALA 72 N -1.45 1.11 -0.46 5.20 0.00 -2.00 -1.45 119.26 120.21 2ekx h ALA 72 Ca -0.24 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 2ekx h ALA 72 Cb 0.72 -0.32 -0.14 0.00 0.00 0.00 0.00 17.79 18.05 2ekx h ALA 72 CO 0.19 0.43 0.30 0.39 0.00 0.00 0.00 179.25 180.57 2ekx n GLU 73 N -4.52 1.64 -3.63 0.00 -0.58 -1.26 -4.83 120.64 107.46 2ekx n GLU 73 Ca 0.10 -1.42 -0.26 0.00 -0.42 0.00 0.00 57.16 55.16 2ekx n GLU 73 Cb 0.06 -1.57 0.05 0.00 -0.57 0.00 0.00 31.44 29.41 2ekx n GLU 73 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2ekx n ASN 74 N -0.25 -5.65 -4.66 1.62 5.15 -0.55 -4.93 115.26 105.99 2ekx n ASN 74 Ca 0.28 -0.59 -0.41 0.00 -0.60 0.00 0.00 54.58 53.25 2ekx n ASN 74 Cb 1.04 -4.49 -0.04 0.00 -0.53 0.00 0.00 39.78 35.76 2ekx n ASN 74 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2ekx s LYS 75 N -6.34 4.26 -0.22 1.20 1.02 -1.25 -4.73 119.74 113.69 2ekx s LYS 75 Ca 0.57 0.97 -0.19 0.00 0.02 0.00 0.00 55.97 57.34 2ekx s LYS 75 Cb -0.27 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 2ekx s LYS 75 CO 0.71 -0.37 0.56 -0.51 -0.92 0.00 0.00 175.35 174.81 2ekx s LEU 76 N 2.32 4.12 0.21 3.17 1.43 -1.05 -0.98 118.68 127.90 2ekx s LEU 76 Ca 0.37 0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 53.95 2ekx s LEU 76 Cb -0.16 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.34 2ekx s LEU 76 CO 0.11 -0.24 0.62 -0.72 0.23 0.00 0.00 176.35 176.34 2ekx s TYR 77 N 1.92 -0.30 -0.19 0.29 1.13 -0.76 -2.43 117.35 117.00 2ekx s TYR 77 Ca 0.25 -0.03 0.04 0.00 -1.41 0.00 0.00 57.07 55.92 2ekx s TYR 77 Cb -0.16 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.23 2ekx s TYR 77 CO 0.10 -1.00 0.19 1.28 -2.51 0.00 0.00 175.55 173.60 2ekx n LEU 78 N -0.40 0.25 -3.76 -3.49 4.77 -1.26 -1.44 117.00 111.68 2ekx n LEU 78 Ca -0.11 -0.53 -0.14 0.00 -0.03 0.00 0.00 56.01 55.20 2ekx n LEU 78 Cb 0.62 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.56 2ekx n LEU 78 CO 0.14 0.06 -0.29 0.00 -1.33 0.00 0.00 177.39 175.97 2ekx s ALA 79 N -1.27 -0.08 0.63 -1.18 0.00 -1.26 -4.96 121.76 113.63 2ekx s ALA 79 Ca 0.02 0.48 0.19 0.00 0.00 0.00 0.00 51.96 52.65 2ekx s ALA 79 Cb 0.03 -0.36 0.79 0.00 0.00 0.00 0.00 23.12 23.57 2ekx s ALA 79 CO 0.14 -0.15 1.36 0.93 0.00 0.00 0.00 175.76 178.04 2ekx h GLU 80 N 7.32 0.00 -1.07 0.00 5.08 -1.99 0.86 114.58 124.78 2ekx h GLU 80 Ca -0.43 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.24 2ekx h GLU 80 Cb 1.13 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.08 2ekx h GLU 80 CO 0.44 0.00 0.82 -1.71 -1.00 0.00 0.00 179.01 177.56 2ekx n ASN 81 N -3.04 7.58 -3.58 1.42 2.85 -1.26 -4.91 115.26 114.32 2ekx n ASN 81 Ca 0.11 -3.79 -0.15 0.00 -0.11 0.00 0.00 54.58 50.64 2ekx n ASN 81 Cb 1.12 -0.96 -0.06 0.00 1.24 0.00 0.00 39.78 41.12 2ekx n ASN 81 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2ekx s TYR 82 N -3.84 -0.67 -0.09 1.20 2.02 0.30 -5.07 117.35 111.19 2ekx s TYR 82 Ca 0.63 1.41 -0.19 0.00 -0.37 0.00 0.00 57.07 58.55 2ekx s TYR 82 Cb 0.50 0.35 0.04 0.00 -0.40 0.00 0.00 41.96 42.46 2ekx s TYR 82 CO -0.04 -0.47 0.47 0.00 -1.57 0.00 0.00 175.55 173.94 2ekx s PHE 84 N -0.67 -0.50 -0.22 0.00 0.08 -1.02 -4.98 117.98 110.67 2ekx s PHE 84 Ca -0.08 0.27 0.13 0.00 0.12 0.00 0.00 56.93 57.38 2ekx s PHE 84 Cb -0.03 0.57 0.48 0.00 -0.57 0.00 0.00 43.02 43.47 2ekx s PHE 84 CO 0.04 -0.88 1.38 -3.47 -0.10 0.00 0.00 175.22 172.19 2ekx n ASP 85 N -0.39 2.90 -3.55 1.36 2.03 -1.26 -2.53 116.55 115.12 2ekx n ASP 85 Ca -0.16 -3.41 -0.14 0.00 0.52 0.00 0.00 54.79 51.60 2ekx n ASP 85 Cb 0.64 -0.56 -0.06 0.00 -0.72 0.00 0.00 41.12 40.42 2ekx n ASP 85 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ekx s SER 86 N -2.43 -0.52 0.04 1.67 0.01 -1.26 -5.02 113.70 106.19 2ekx s SER 86 Ca 0.41 0.56 -0.30 0.00 1.31 0.00 0.00 55.95 57.93 2ekx s SER 86 Cb 0.36 0.43 -0.18 0.00 0.21 0.00 0.00 66.02 66.84 2ekx s SER 86 CO 0.03 -0.49 1.41 0.40 0.41 0.00 0.00 173.24 175.00 2ekx h ILE 87 N 2.77 0.30 0.00 1.44 1.08 -1.96 -2.81 117.51 118.32 2ekx h ILE 87 Ca -0.23 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2ekx h ILE 87 Cb 1.15 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 2ekx h ILE 87 CO 0.35 0.02 0.00 -0.81 -0.69 0.00 0.00 178.15 177.03 2ekx n PRO 88 N -5.41 0.08 0.19 2.37 -0.04 -1.26 -2.19 135.00 128.74 2ekx n PRO 88 Ca -0.13 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 2ekx n PRO 88 Cb 0.36 -1.66 0.12 0.00 -0.04 0.00 0.00 33.50 32.29 2ekx n PRO 88 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2ekx h LYS 89 N 0.00 0.00 0.10 0.54 3.64 -1.91 -3.18 116.57 115.75 2ekx h LYS 89 Ca 0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 2ekx h LYS 89 Cb 0.29 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2ekx h LYS 89 CO 0.00 0.02 -2.00 -0.11 -2.27 0.00 0.00 179.45 175.09 2ekx n LEU 90 N -3.00 2.60 -0.35 5.20 0.00 -0.93 -4.26 117.00 116.26 2ekx n LEU 90 Ca 0.03 0.19 -0.01 0.00 0.00 0.00 0.00 56.01 56.21 2ekx n LEU 90 Cb 0.55 -1.08 0.11 0.00 0.00 0.00 0.00 43.42 43.01 2ekx n LEU 90 CO 0.36 0.81 1.26 0.40 0.00 0.00 0.00 177.39 180.21 2ekx h ILE 91 N -0.06 1.19 -1.17 1.96 1.08 -1.64 -1.98 117.51 116.89 2ekx h ILE 91 Ca -0.44 -0.42 0.34 0.00 -0.39 0.00 0.00 64.86 63.95 2ekx h ILE 91 Cb 1.94 -0.13 -0.11 0.00 -3.07 0.00 0.00 36.82 35.45 2ekx h ILE 91 CO 0.03 0.22 0.75 -0.74 -0.69 0.00 0.00 178.15 177.72 2ekx h HIS 92 N 1.21 0.58 0.00 1.37 2.76 -1.73 0.29 115.15 119.64 2ekx h HIS 92 Ca 0.36 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 2ekx h HIS 92 Cb -0.06 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.75 2ekx h HIS 92 CO -0.01 -0.07 -0.00 -0.92 -1.30 0.00 0.00 177.93 175.63 2ekx h TYR 93 N 0.24 0.00 -0.81 5.26 5.03 -1.58 -3.24 116.97 121.88 2ekx h TYR 93 Ca 0.70 0.00 0.13 0.00 2.58 0.00 0.00 58.73 62.13 2ekx h TYR 93 Cb 2.00 0.00 -0.14 0.00 1.55 0.00 0.00 36.73 40.15 2ekx h TYR 93 CO -0.00 0.00 -0.39 0.45 -1.32 0.00 0.00 178.16 176.90 2ekx h HIS 94 N -0.14 -1.10 -0.23 -3.82 3.86 -1.27 -1.78 115.15 110.67 2ekx h HIS 94 Ca 0.00 0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 2ekx h HIS 94 Cb 0.00 0.60 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 2ekx h HIS 94 CO -0.00 -0.40 -0.25 0.37 0.86 0.00 0.00 177.93 178.52 2ekx h GLN 95 N -0.08 -0.14 -0.76 2.45 4.15 -0.61 -1.30 115.11 118.82 2ekx h GLN 95 Ca 0.28 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.83 2ekx h GLN 95 Cb 0.57 0.03 -0.12 0.00 0.21 0.00 0.00 27.48 28.17 2ekx h GLN 95 CO -0.84 -0.09 -0.29 0.72 -1.93 0.00 0.00 178.83 176.40 2ekx n HIS 96 N -3.89 0.04 -3.72 3.99 8.25 -0.69 -4.51 115.22 114.70 2ekx n HIS 96 Ca -0.01 0.93 -0.13 0.00 -0.26 0.00 0.00 57.72 58.25 2ekx n HIS 96 Cb 0.14 -0.80 -0.09 0.00 1.12 0.00 0.00 29.99 30.36 2ekx n HIS 96 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ekx s ASN 97 N -5.27 -0.40 0.08 0.41 2.20 -0.49 -5.06 114.94 106.41 2ekx s ASN 97 Ca -0.11 0.68 -0.36 0.00 -0.94 0.00 0.00 52.86 52.13 2ekx s ASN 97 Cb 0.16 0.72 -0.18 0.00 -2.00 0.00 0.00 41.25 39.95 2ekx s ASN 97 CO 0.55 -0.24 1.08 -0.24 -2.94 0.00 0.00 177.10 175.30 2ekx n SER 98 N 2.38 0.50 -4.31 3.54 2.88 -1.21 -4.29 113.62 113.12 2ekx n SER 98 Ca -0.15 1.14 -0.46 0.00 -1.33 0.00 0.00 58.87 58.07 2ekx n SER 98 Cb 0.57 -1.05 -0.02 0.00 -0.75 0.00 0.00 64.21 62.96 2ekx n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ekx s ALA 99 N -0.06 4.14 0.00 -1.46 0.00 -1.25 -4.94 121.76 118.19 2ekx s ALA 99 Ca 0.82 -3.40 0.00 0.00 0.00 0.00 0.00 51.96 49.38 2ekx s ALA 99 Cb -1.06 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2ekx s ALA 99 CO 0.54 -2.26 0.00 0.41 0.00 0.00 0.00 175.76 174.45 2ekx n GLY 100 N 3.73 1.53 0.13 0.00 0.00 -1.26 -3.03 105.19 106.30 2ekx n GLY 100 Ca 0.15 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2ekx n GLY 100 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ekx n MET 101 N 0.00 0.71 -1.51 1.61 0.00 -1.26 -4.93 117.12 111.74 2ekx n MET 101 Ca 0.00 0.27 -0.61 0.00 -0.00 0.00 0.00 57.70 57.37 2ekx n MET 101 Cb 0.00 -1.66 -0.09 0.00 0.00 0.00 0.00 33.22 31.46 2ekx n MET 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2ekx n ILE 102 N -3.57 0.00 -1.57 1.12 2.08 -1.17 -4.76 119.36 111.49 2ekx n ILE 102 Ca -0.36 0.00 -0.45 0.00 0.56 0.00 0.00 62.75 62.50 2ekx n ILE 102 Cb 0.99 -0.46 -0.02 0.00 -0.75 0.00 0.00 39.64 39.40 2ekx n ILE 102 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2ekx n THR 103 N 4.10 1.96 -1.69 1.39 -1.04 -1.26 -3.78 114.28 113.96 2ekx n THR 103 Ca 0.33 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 2ekx n THR 103 Cb -0.05 -0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 67.55 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 -1.45 3.06 -0.70 -2.82 3.52 -1.26 -4.83 118.95 114.46 2ekx s ARG 104 Ca 0.60 1.82 -0.25 0.00 -0.13 0.00 0.00 55.73 57.77 2ekx s ARG 104 Cb -0.73 -4.36 -0.14 0.00 -1.56 0.00 0.00 34.95 28.16 2ekx s ARG 104 CO 0.59 -2.19 2.43 1.28 -0.81 0.00 0.00 175.30 176.61 2ekx n LEU 105 N 11.85 1.57 0.18 -0.88 4.77 -1.26 -4.81 117.00 128.42 2ekx n LEU 105 Ca 0.29 -0.78 -0.07 0.00 -0.03 0.00 0.00 56.01 55.42 2ekx n LEU 105 Cb 0.46 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 2ekx n LEU 105 CO 0.67 -1.84 0.37 0.03 -1.33 0.00 0.00 177.39 175.30 2ekx h ARG 106 N 15.61 -0.46 -3.71 3.23 2.47 -1.33 -3.47 114.38 126.72 2ekx h ARG 106 Ca -0.11 0.03 -0.18 0.00 -1.26 0.00 0.00 59.98 58.47 2ekx h ARG 106 Cb 1.17 0.10 -0.23 0.00 -1.65 0.00 0.00 29.97 29.37 2ekx h ARG 106 CO 1.17 -0.31 -0.62 -1.01 0.56 0.00 0.00 179.97 179.77 2ekx s HIS 107 N -3.55 0.09 0.77 3.04 3.76 -1.23 -4.99 115.29 113.18 2ekx s HIS 107 Ca -0.07 -0.19 -0.11 0.00 -0.15 0.00 0.00 55.06 54.55 2ekx s HIS 107 Cb 0.01 -0.08 0.05 0.00 1.11 0.00 0.00 32.58 33.67 2ekx s HIS 107 CO 0.21 -0.17 1.09 -1.25 -0.85 0.00 0.00 174.74 173.77 2ekx s PRO 108 N -0.97 2.28 -0.14 8.40 0.04 -1.26 -0.10 135.00 143.26 2ekx s PRO 108 Ca -0.11 1.18 -0.08 0.00 0.04 0.00 0.00 61.00 62.04 2ekx s PRO 108 Cb -0.06 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.63 2ekx s PRO 108 CO 0.00 -1.63 0.33 0.08 0.04 0.00 0.00 177.00 175.82 2ekx s VAL 109 N -2.87 -0.03 -2.68 -0.36 1.01 0.36 -4.64 120.40 111.19 2ekx s VAL 109 Ca 0.61 0.10 0.27 0.00 0.00 0.00 0.00 61.98 62.96 2ekx s VAL 109 Cb -0.17 -0.49 0.42 0.00 0.00 0.00 0.00 36.38 36.13 2ekx s VAL 109 CO 0.55 0.04 1.57 -1.54 0.00 0.00 0.00 175.10 175.72