#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7i s TYR 2 N 0.00 1.95 0.10 1.12 -0.85 -1.26 -5.01 117.35 113.40 2k7i s TYR 2 Ca 0.00 1.18 -0.12 0.00 -0.52 0.00 0.00 57.07 57.61 2k7i s TYR 2 Cb 0.00 -3.19 0.04 0.00 0.38 0.00 0.00 41.96 39.19 2k7i s TYR 2 CO 0.00 -2.99 0.56 0.36 -1.52 0.00 0.00 175.55 171.97 2k7i n LYS 3 N -4.28 0.36 -3.75 -3.49 -0.00 -1.26 -4.98 118.16 100.76 2k7i n LYS 3 Ca 0.06 -0.83 -0.37 0.00 -0.00 0.00 0.00 58.31 57.17 2k7i n LYS 3 Cb 0.55 1.12 -0.12 0.00 -0.00 0.00 0.00 35.03 36.58 2k7i n LYS 3 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2k7i s PHE 4 N -3.91 3.15 -0.38 5.58 0.40 -1.26 -1.82 117.98 119.74 2k7i s PHE 4 Ca 0.12 -0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 56.11 2k7i s PHE 4 Cb -0.02 -2.25 0.01 0.00 0.51 0.00 0.00 43.02 41.27 2k7i s PHE 4 CO 0.03 -0.22 0.42 -1.21 0.70 0.00 0.00 175.22 174.95 2k7i s GLU 5 N 1.45 3.33 -0.27 0.44 2.02 -0.30 -4.94 118.70 120.43 2k7i s GLU 5 Ca 0.06 -0.56 -0.10 0.00 0.02 0.00 0.00 54.97 54.39 2k7i s GLU 5 Cb -0.15 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.15 2k7i s GLU 5 CO 0.05 -0.71 0.15 0.42 0.02 0.00 0.00 175.26 175.19 2k7i s ILE 6 N 2.14 4.92 0.26 -1.63 1.01 -1.26 -1.76 121.20 124.88 2k7i s ILE 6 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.83 2k7i s ILE 6 Cb -0.17 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 2k7i s ILE 6 CO 0.13 0.27 0.12 0.00 0.00 0.00 0.00 174.94 175.46 2k7i n TYR 7 N 5.01 -0.07 -4.38 3.97 4.11 -0.61 -4.98 117.16 120.20 2k7i n TYR 7 Ca -0.15 -1.81 -0.25 0.00 -0.00 0.00 0.00 57.90 55.70 2k7i n TYR 7 Cb 0.52 0.05 -0.13 0.00 -0.00 0.00 0.00 39.34 39.78 2k7i n TYR 7 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.86 178.00 2k7i s GLN 8 N -3.02 1.21 0.57 -3.48 -2.07 -1.26 -0.63 119.66 110.98 2k7i s GLN 8 Ca 0.17 -1.12 0.04 0.00 -1.82 0.00 0.00 55.36 52.63 2k7i s GLN 8 Cb 0.01 -1.46 0.06 0.00 -1.09 0.00 0.00 33.01 30.54 2k7i s GLN 8 CO 0.12 0.35 0.79 0.16 -1.32 0.00 0.00 175.29 175.39 2k7i s ASP 9 N -1.74 5.09 0.47 12.60 -4.77 0.06 -4.89 116.67 123.49 2k7i s ASP 9 Ca 0.07 -0.38 0.31 0.00 -3.30 0.00 0.00 52.55 49.25 2k7i s ASP 9 Cb -0.10 -0.34 1.42 0.00 -1.09 0.00 0.00 42.92 42.80 2k7i s ASP 9 CO 0.04 -1.28 1.71 0.07 0.70 0.00 0.00 175.17 176.40 2k7i h LYS 10 N 0.07 0.13 0.00 2.11 5.09 -2.02 0.23 116.57 122.18 2k7i h LYS 10 Ca -0.37 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.36 2k7i h LYS 10 Cb 1.28 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.58 2k7i h LYS 10 CO 0.45 0.09 0.00 0.00 -2.09 0.00 0.00 179.45 177.90 2k7i n ALA 11 N -2.63 2.20 -3.26 0.07 0.00 -1.26 -4.85 120.51 110.78 2k7i n ALA 11 Ca 0.32 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.46 2k7i n ALA 11 Cb 1.30 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 19.58 2k7i n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k7i n GLY 12 N 0.19 -0.34 3.30 0.00 0.00 0.80 -5.03 105.19 104.11 2k7i n GLY 12 Ca 0.11 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 2k7i n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k7i s GLU 13 N -5.92 1.17 -0.08 1.61 2.02 -1.20 -4.93 118.70 111.37 2k7i s GLU 13 Ca 0.42 -1.27 -0.17 0.00 0.02 0.00 0.00 54.97 53.97 2k7i s GLU 13 Cb -0.19 -1.29 -0.05 0.00 0.10 0.00 0.00 34.13 32.71 2k7i s GLU 13 CO 0.52 0.28 0.45 0.71 0.02 0.00 0.00 175.26 177.24 2k7i s TYR 14 N -1.67 3.58 -0.02 1.61 1.51 -0.81 -0.76 117.35 120.79 2k7i s TYR 14 Ca 0.11 0.91 0.06 0.00 -1.01 0.00 0.00 57.07 57.13 2k7i s TYR 14 Cb -0.08 -2.47 -0.01 0.00 -0.11 0.00 0.00 41.96 39.29 2k7i s TYR 14 CO 0.05 0.31 -0.19 1.03 -1.11 0.00 0.00 175.55 175.64 2k7i s ARG 15 N 0.12 1.56 0.21 -0.62 1.81 0.19 -3.45 118.95 118.76 2k7i s ARG 15 Ca 0.25 -0.67 0.06 0.00 -1.72 0.00 0.00 55.73 53.65 2k7i s ARG 15 Cb -0.16 -1.49 -0.04 0.00 -0.45 0.00 0.00 34.95 32.82 2k7i s ARG 15 CO 0.11 0.39 0.16 -0.59 -0.68 0.00 0.00 175.30 174.69 2k7i s PHE 16 N -0.39 3.11 -0.06 -0.53 -0.71 -1.26 -1.57 117.98 116.57 2k7i s PHE 16 Ca 0.06 -0.07 -0.03 0.00 -1.04 0.00 0.00 56.93 55.85 2k7i s PHE 16 Cb -0.08 -1.45 0.03 0.00 -1.21 0.00 0.00 43.02 40.32 2k7i s PHE 16 CO -0.00 0.52 0.14 -0.98 -1.34 0.00 0.00 175.22 173.56 2k7i s ARG 17 N -3.47 0.11 -0.22 1.99 1.70 -0.72 -2.74 118.95 115.60 2k7i s ARG 17 Ca 0.32 0.31 -0.13 0.00 -0.47 0.00 0.00 55.73 55.76 2k7i s ARG 17 Cb -0.09 -0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.14 2k7i s ARG 17 CO 0.24 -0.12 0.26 0.12 -1.08 0.00 0.00 175.30 174.72 2k7i s PHE 18 N 0.84 3.36 0.68 5.89 5.36 -0.85 -1.15 117.98 132.10 2k7i s PHE 18 Ca -0.06 0.42 0.05 0.00 -0.96 0.00 0.00 56.93 56.37 2k7i s PHE 18 Cb -0.08 -2.37 0.13 0.00 -0.34 0.00 0.00 43.02 40.35 2k7i s PHE 18 CO -0.04 0.06 0.93 1.63 -1.46 0.00 0.00 175.22 176.34 2k7i n LYS 19 N 4.25 0.22 -4.28 10.12 4.76 -0.76 -2.50 118.16 129.98 2k7i n LYS 19 Ca -0.12 -3.01 -0.15 0.00 -2.87 0.00 0.00 58.31 52.15 2k7i n LYS 19 Cb 0.52 -0.47 -0.10 0.00 -1.84 0.00 0.00 35.03 33.13 2k7i n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k7i s ALA 20 N -2.96 1.62 0.48 7.82 0.00 0.49 -4.55 121.76 124.66 2k7i s ALA 20 Ca 0.66 -1.54 0.25 0.00 0.00 0.00 0.00 51.96 51.32 2k7i s ALA 20 Cb -0.04 0.01 1.29 0.00 0.00 0.00 0.00 23.12 24.37 2k7i s ALA 20 CO 0.43 -0.04 1.88 0.66 0.00 0.00 0.00 175.76 178.68 2k7i h SER 21 N 2.72 0.19 0.59 0.00 4.64 -1.95 -0.03 113.55 119.72 2k7i h SER 21 Ca -0.37 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2k7i h SER 21 Cb 1.20 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2k7i h SER 21 CO 0.63 0.07 0.00 -3.20 -0.87 0.00 0.00 176.83 173.46 2k7i n ASN 22 N -4.39 0.00 0.00 4.97 5.15 -1.26 -4.87 115.26 114.85 2k7i n ASN 22 Ca 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 2k7i n ASN 22 Cb 0.82 -0.32 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 2k7i n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k7i n GLY 23 N 1.10 0.64 3.81 8.20 0.00 -0.02 -5.08 105.19 113.84 2k7i n GLY 23 Ca 0.12 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2k7i n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k7i s GLU 24 N -0.58 2.20 -0.10 1.61 0.41 -1.25 -4.78 118.70 116.21 2k7i s GLU 24 Ca 0.00 0.62 0.01 0.00 -0.41 0.00 0.00 54.97 55.19 2k7i s GLU 24 Cb 0.00 -1.93 0.02 0.00 -1.78 0.00 0.00 34.13 30.44 2k7i s GLU 24 CO 0.00 -1.53 -0.10 0.99 -0.49 0.00 0.00 175.26 174.12 2k7i s THR 25 N -3.18 1.12 -0.36 3.63 2.01 -1.26 -0.38 115.64 117.21 2k7i s THR 25 Ca 0.60 -0.40 0.22 0.00 0.31 0.00 0.00 61.69 62.42 2k7i s THR 25 Cb -0.14 -1.08 -0.29 0.00 0.01 0.00 0.00 72.50 71.01 2k7i s THR 25 CO 0.54 0.37 0.65 1.15 -0.69 0.00 0.00 174.62 176.64 2k7i n MET 26 N 4.45 0.44 -3.64 4.92 0.00 -1.04 -4.97 117.12 117.28 2k7i n MET 26 Ca -0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 57.70 57.34 2k7i n MET 26 Cb 0.51 -1.53 -0.02 0.00 0.00 0.00 0.00 33.22 32.18 2k7i n MET 26 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 2k7i s PHE 27 N -3.34 -0.26 -0.27 3.17 -0.71 -1.25 -5.05 117.98 110.27 2k7i s PHE 27 Ca -0.02 0.01 -0.27 0.00 -1.04 0.00 0.00 56.93 55.60 2k7i s PHE 27 Cb 0.15 0.60 0.17 0.00 -1.21 0.00 0.00 43.02 42.73 2k7i s PHE 27 CO 0.89 -0.79 1.27 -1.54 -1.34 0.00 0.00 175.22 173.72 2k7i s SER 28 N -2.76 -0.16 0.00 1.98 1.04 -1.26 -2.02 113.70 110.52 2k7i s SER 28 Ca 0.08 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2k7i s SER 28 Cb -0.02 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2k7i s SER 28 CO -0.03 -0.10 0.00 -1.54 0.98 0.00 0.00 173.24 172.55 2k7i n SER 29 N 1.14 0.00 0.20 7.02 3.41 -1.11 -5.02 113.62 119.26 2k7i n SER 29 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 2k7i n SER 29 Cb 0.58 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 2k7i n SER 29 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2k7i h GLU 30 N 0.00 -0.48 -0.07 4.33 4.57 -1.88 -3.37 114.58 117.68 2k7i h GLU 30 Ca 0.00 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2k7i h GLU 30 Cb 0.00 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2k7i h GLU 30 CO 0.00 -0.20 -0.03 0.41 -1.18 0.00 0.00 179.01 178.01 2k7i n GLY 31 N -0.70 0.26 5.27 1.92 0.00 -1.22 -4.27 105.19 106.45 2k7i n GLY 31 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2k7i n GLY 31 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k7i n TYR 32 N -2.28 0.00 0.00 1.61 9.36 -1.26 -4.38 117.16 120.22 2k7i n TYR 32 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 2k7i n TYR 32 Cb 0.39 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 2k7i n TYR 32 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2k7i n LYS 33 N 0.00 0.00 -3.98 2.98 3.00 -1.26 -5.01 118.16 113.90 2k7i n LYS 33 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 2k7i n LYS 33 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 2k7i n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k7i s ALA 34 N -1.00 3.65 0.11 3.14 0.00 -1.26 -1.93 121.76 124.46 2k7i s ALA 34 Ca 0.00 -1.78 -0.20 0.00 0.00 0.00 0.00 51.96 49.98 2k7i s ALA 34 Cb 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 23.12 22.16 2k7i s ALA 34 CO 0.00 0.01 1.70 1.57 0.00 0.00 0.00 175.76 179.04 2k7i h LYS 35 N 1.41 0.27 -0.46 0.00 -0.00 -1.97 0.28 116.57 116.11 2k7i h LYS 35 Ca -0.44 -0.03 0.08 0.00 -0.00 0.00 0.00 60.65 60.26 2k7i h LYS 35 Cb 1.25 -0.05 -0.07 0.00 -0.00 0.00 0.00 32.23 33.36 2k7i h LYS 35 CO 0.61 0.27 0.07 0.00 -0.00 0.00 0.00 179.45 180.41 2k7i h ALA 36 N 0.99 0.49 0.00 0.07 0.00 -1.99 -1.19 119.26 117.63 2k7i h ALA 36 Ca 0.07 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2k7i h ALA 36 Cb 0.07 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2k7i h ALA 36 CO -0.01 -0.33 -0.30 0.77 0.00 0.00 0.00 179.25 179.38 2k7i h SER 37 N 0.20 0.00 0.37 0.00 0.02 -1.89 -2.57 113.55 109.68 2k7i h SER 37 Ca 0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2k7i h SER 37 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2k7i h SER 37 CO -0.31 0.30 -0.18 0.00 -1.14 0.00 0.00 176.83 175.49 2k7i h ALA 38 N 1.70 -0.50 -0.31 3.77 0.00 0.69 -1.78 119.26 122.83 2k7i h ALA 38 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2k7i h ALA 38 Cb 0.96 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2k7i h ALA 38 CO 0.04 -0.60 0.17 0.82 0.00 0.00 0.00 179.25 179.68 2k7i h ILE 39 N -0.87 1.01 -0.91 0.00 5.03 -1.35 -2.29 117.51 118.14 2k7i h ILE 39 Ca -0.05 -0.12 0.10 0.00 -0.12 0.00 0.00 64.86 64.67 2k7i h ILE 39 Cb 0.54 0.63 -0.07 0.00 -3.03 0.00 0.00 36.82 34.90 2k7i h ILE 39 CO 0.08 0.06 0.59 0.45 -0.68 0.00 0.00 178.15 178.65 2k7i h HIS 40 N 0.34 0.98 0.49 1.37 3.86 -1.49 0.25 115.15 120.95 2k7i h HIS 40 Ca 0.13 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 2k7i h HIS 40 Cb 0.02 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.18 2k7i h HIS 40 CO -0.09 0.44 -0.23 0.00 0.86 0.00 0.00 177.93 178.91 2k7i h ALA 41 N 1.55 -0.66 0.00 2.45 0.00 -1.05 -2.59 119.26 118.96 2k7i h ALA 41 Ca 0.43 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2k7i h ALA 41 Cb 0.43 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2k7i h ALA 41 CO -0.19 -0.86 -0.01 0.82 0.00 0.00 0.00 179.25 179.01 2k7i h ILE 42 N -0.67 0.25 -0.19 0.00 2.04 -0.61 -0.67 117.51 117.66 2k7i h ILE 42 Ca -0.07 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 2k7i h ILE 42 Cb 0.51 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2k7i h ILE 42 CO 0.11 0.01 -0.36 -0.33 0.00 0.00 0.00 178.15 177.58 2k7i h GLU 43 N 0.00 0.42 -0.84 2.37 5.08 -0.17 -1.45 114.58 119.98 2k7i h GLU 43 Ca -0.00 -0.19 0.12 0.00 -1.00 0.00 0.00 59.36 58.29 2k7i h GLU 43 Cb 0.06 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 2k7i h GLU 43 CO 0.00 0.72 0.55 0.77 -1.00 0.00 0.00 179.01 180.05 2k7i h SER 44 N 0.35 0.64 -0.41 1.42 0.02 -0.97 -2.09 113.55 112.51 2k7i h SER 44 Ca 0.04 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 2k7i h SER 44 Cb 0.80 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2k7i h SER 44 CO 0.06 0.35 -0.19 0.40 -1.14 0.00 0.00 176.83 176.31 2k7i h ILE 45 N 0.69 1.28 0.00 3.27 1.08 -1.31 -2.78 117.51 119.74 2k7i h ILE 45 Ca 0.41 -1.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.54 2k7i h ILE 45 Cb 0.61 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 2k7i h ILE 45 CO -0.17 0.45 0.00 0.11 -0.69 0.00 0.00 178.15 177.85 2k7i h LYS 46 N 0.68 0.00 0.32 2.37 6.56 -1.21 -2.34 116.57 122.94 2k7i h LYS 46 Ca 0.09 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.67 2k7i h LYS 46 Cb 0.75 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 2k7i h LYS 46 CO 0.06 0.00 -0.15 0.00 -2.06 0.00 0.00 179.45 177.30 2k7i h ARG 47 N 0.00 -0.41 0.00 3.15 2.47 -1.10 -3.46 114.38 115.04 2k7i h ARG 47 Ca 0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2k7i h ARG 47 Cb 0.46 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2k7i h ARG 47 CO 0.00 -0.08 0.00 -1.71 0.56 0.00 0.00 179.97 178.74 2k7i n ASN 48 N -5.09 0.00 -0.04 7.04 5.15 -1.22 -5.00 115.26 116.10 2k7i n ASN 48 Ca -0.09 -0.54 -0.04 0.00 -0.60 0.00 0.00 54.58 53.31 2k7i n ASN 48 Cb 0.27 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 39.70 2k7i n ASN 48 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 2k7i h SER 49 N 0.00 0.61 0.01 1.20 0.87 -1.55 0.28 113.55 114.97 2k7i h SER 49 Ca 0.00 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2k7i h SER 49 Cb 0.54 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2k7i h SER 49 CO 0.00 0.78 -0.07 0.00 -0.53 0.00 0.00 176.83 177.01 2k7i h ALA 50 N 1.28 1.70 -0.02 6.23 0.00 -1.94 -2.27 119.26 124.24 2k7i h ALA 50 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k7i h ALA 50 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k7i h ALA 50 CO 0.04 0.22 -0.18 0.41 0.00 0.00 0.00 179.25 179.74 2k7i n GLY 51 N -1.14 -0.02 3.75 0.00 0.00 -0.55 -4.95 105.19 102.27 2k7i n GLY 51 Ca -0.01 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2k7i n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k7i s ALA 52 N -2.26 1.80 0.41 4.61 0.00 0.87 -5.07 121.76 122.12 2k7i s ALA 52 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2k7i s ALA 52 Cb 0.20 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2k7i s ALA 52 CO 0.44 -2.13 0.62 0.34 0.00 0.00 0.00 175.76 175.03 2k7i s ASP 53 N -3.57 6.06 -0.43 0.00 2.15 -1.26 -5.01 116.67 114.61 2k7i s ASP 53 Ca 0.62 0.39 -0.04 0.00 0.43 0.00 0.00 52.55 53.96 2k7i s ASP 53 Cb -0.17 -1.79 0.11 0.00 -0.30 0.00 0.00 42.92 40.78 2k7i s ASP 53 CO 0.56 -0.51 0.24 -0.89 -0.17 0.00 0.00 175.17 174.40 2k7i s THR 54 N -2.46 3.45 -0.21 1.71 2.01 -1.26 -5.09 115.64 113.79 2k7i s THR 54 Ca 0.45 -2.07 -0.10 0.00 0.31 0.00 0.00 61.69 60.28 2k7i s THR 54 Cb -0.10 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 2k7i s THR 54 CO 0.37 -0.72 0.13 -0.69 -0.69 0.00 0.00 174.62 173.03 2k7i s VAL 55 N 1.11 5.36 -0.33 3.82 1.01 -1.26 -5.09 120.40 125.03 2k7i s VAL 55 Ca 0.08 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 2k7i s VAL 55 Cb -0.23 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.73 2k7i s VAL 55 CO -0.04 0.42 0.08 -0.62 0.00 0.00 0.00 175.10 174.94 2k7i s ASP 56 N 0.51 5.21 0.19 3.32 -1.08 -1.26 -4.99 116.67 118.56 2k7i s ASP 56 Ca 0.08 -1.13 0.04 0.00 -0.52 0.00 0.00 52.55 51.01 2k7i s ASP 56 Cb -0.12 -1.84 0.08 0.00 -1.46 0.00 0.00 42.92 39.59 2k7i s ASP 56 CO -0.01 -0.30 1.44 -0.07 0.52 0.00 0.00 175.17 176.75 2k7i h LEU 57 N 8.18 0.23 -1.29 -1.34 3.38 -2.03 -3.38 115.31 119.04 2k7i h LEU 57 Ca -0.23 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2k7i h LEU 57 Cb 1.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2k7i h LEU 57 CO 0.59 0.92 0.00 1.07 0.09 0.00 0.00 178.44 181.11 2k7i n THR 58 N -3.71 0.01 -0.58 0.22 5.66 -1.26 -3.20 114.28 111.42 2k7i n THR 58 Ca -0.03 -0.34 0.06 0.00 -3.05 0.00 0.00 64.05 60.69 2k7i n THR 58 Cb 0.75 0.82 0.13 0.00 -1.55 0.00 0.00 70.33 70.48 2k7i n THR 58 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2k7i n THR 59 N 0.57 1.55 -0.12 1.09 -2.24 -1.26 -3.48 114.28 110.40 2k7i n THR 59 Ca 0.17 -1.58 -0.13 0.00 -2.27 0.00 0.00 64.05 60.25 2k7i n THR 59 Cb 0.44 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 2k7i n THR 59 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2k7i h MET 60 N 0.80 0.89 0.00 -0.78 -1.53 -1.75 -3.44 114.93 109.12 2k7i h MET 60 Ca 0.00 -0.45 0.00 0.00 -3.44 0.00 0.00 59.70 55.81 2k7i h MET 60 Cb 0.91 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.96 2k7i h MET 60 CO 0.05 1.10 0.00 2.41 0.14 0.00 0.00 176.91 180.61 2k7i n THR 61 N -4.13 0.21 -1.47 -0.77 -1.04 -1.26 -5.20 114.28 100.62 2k7i n THR 61 Ca -0.02 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2k7i n THR 61 Cb 0.51 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 2k7i n THR 61 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43