#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 2.41 0.23 1.12 -0.85 -1.23 -4.99 117.35 114.04 2k7i s TYR 2 Ca 0.00 1.50 -0.22 0.00 -0.52 0.00 0.00 57.07 57.83 2k7i s TYR 2 Cb 0.00 -3.52 0.06 0.00 0.38 0.00 0.00 41.96 38.88 2k7i s TYR 2 CO 0.00 -2.25 0.90 -1.59 -1.52 0.00 0.00 175.55 171.09 2k7i s LYS 3 N -3.24 1.54 -0.41 -3.49 0.00 -1.26 -4.96 119.74 107.93 2k7i s LYS 3 Ca 0.76 -0.92 -0.15 0.00 0.00 0.00 0.00 55.97 55.66 2k7i s LYS 3 Cb -0.32 0.48 0.02 0.00 0.00 0.00 0.00 37.83 38.01 2k7i s LYS 3 CO 0.35 -0.71 0.33 -0.06 0.00 0.00 0.00 175.35 175.25 2k7i s PHE 4 N -2.96 3.22 -0.44 1.78 0.08 -1.26 -2.36 117.98 116.05 2k7i s PHE 4 Ca 0.15 -0.53 -0.19 0.00 0.12 0.00 0.00 56.93 56.47 2k7i s PHE 4 Cb -0.03 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.79 2k7i s PHE 4 CO 0.06 -0.61 0.56 -1.21 -0.10 0.00 0.00 175.22 173.92 2k7i s GLU 5 N 1.78 3.20 -0.37 0.44 2.02 -0.48 -4.90 118.70 120.38 2k7i s GLU 5 Ca 0.07 -0.55 -0.16 0.00 0.02 0.00 0.00 54.97 54.35 2k7i s GLU 5 Cb -0.19 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 30.08 2k7i s GLU 5 CO 0.11 -0.96 0.38 0.42 0.02 0.00 0.00 175.26 175.22 2k7i s ILE 6 N 2.55 5.15 0.40 -1.63 1.01 -1.26 -1.59 121.20 125.83 2k7i s ILE 6 Ca 0.18 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2k7i s ILE 6 Cb -0.15 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2k7i s ILE 6 CO 0.17 -0.21 0.16 -0.72 0.00 0.00 0.00 174.94 174.33 2k7i s TYR 7 N 2.02 1.77 0.02 3.97 1.13 -0.46 -5.00 117.35 120.81 2k7i s TYR 7 Ca 0.11 -1.37 0.09 0.00 -1.41 0.00 0.00 57.07 54.49 2k7i s TYR 7 Cb -0.17 -1.08 -0.03 0.00 -1.10 0.00 0.00 41.96 39.58 2k7i s TYR 7 CO 0.12 -0.41 -0.26 1.14 -2.51 0.00 0.00 175.55 173.64 2k7i s GLN 8 N -3.65 1.92 0.66 -3.49 -2.07 -1.26 -1.29 119.66 110.48 2k7i s GLN 8 Ca 0.26 -1.04 -0.11 0.00 -1.82 0.00 0.00 55.36 52.64 2k7i s GLN 8 Cb 0.02 -2.02 -0.02 0.00 -1.09 0.00 0.00 33.01 29.91 2k7i s GLN 8 CO 0.17 0.53 1.06 0.34 -1.32 0.00 0.00 175.29 176.06 2k7i s ASP 9 N -1.04 5.87 0.42 12.60 2.15 0.45 -4.82 116.67 132.30 2k7i s ASP 9 Ca 0.11 1.28 0.20 0.00 0.43 0.00 0.00 52.55 54.57 2k7i s ASP 9 Cb -0.10 -2.22 1.14 0.00 -0.30 0.00 0.00 42.92 41.44 2k7i s ASP 9 CO 0.01 -1.08 1.81 0.07 -0.17 0.00 0.00 175.17 175.81 2k7i h LYS 10 N -0.46 0.35 0.00 4.34 5.09 -2.01 0.37 116.57 124.24 2k7i h LYS 10 Ca -0.44 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.27 2k7i h LYS 10 Cb 1.22 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 33.47 2k7i h LYS 10 CO 0.63 0.23 0.00 0.00 -2.09 0.00 0.00 179.45 178.22 2k7i n ALA 11 N -2.52 2.17 -2.79 0.07 0.00 -1.26 -4.85 120.51 111.33 2k7i n ALA 11 Ca 0.23 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 2k7i n ALA 11 Cb 0.83 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 19.17 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 0.17 0.09 3.41 0.00 0.00 0.13 -5.03 105.19 103.95 2k7i n GLY 12 Ca 0.07 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.32 3.55 -0.46 1.61 0.41 -1.15 -4.83 118.70 112.51 2k7i s GLU 13 Ca 0.21 -0.55 -0.27 0.00 -0.41 0.00 0.00 54.97 53.95 2k7i s GLU 13 Cb -0.09 -3.05 0.03 0.00 -1.78 0.00 0.00 34.13 29.24 2k7i s GLU 13 CO 0.26 -0.03 1.01 0.71 -0.49 0.00 0.00 175.26 176.71 2k7i s TYR 14 N 1.09 2.89 -0.02 1.61 2.02 -1.26 -0.41 117.35 123.26 2k7i s TYR 14 Ca 0.02 0.52 0.02 0.00 -0.37 0.00 0.00 57.07 57.26 2k7i s TYR 14 Cb -0.14 -4.14 0.00 0.00 -0.40 0.00 0.00 41.96 37.28 2k7i s TYR 14 CO 0.01 -1.16 -0.07 1.03 -1.57 0.00 0.00 175.55 173.79 2k7i s ARG 15 N 4.01 0.81 0.02 -0.62 0.52 -0.41 -4.10 118.95 119.18 2k7i s ARG 15 Ca 0.41 -0.24 0.05 0.00 -0.52 0.00 0.00 55.73 55.42 2k7i s ARG 15 Cb -0.09 -0.78 -0.03 0.00 0.52 0.00 0.00 34.95 34.57 2k7i s ARG 15 CO 0.28 0.08 -0.10 -0.59 0.02 0.00 0.00 175.30 174.99 2k7i s PHE 16 N 0.24 2.78 0.36 -0.53 -0.71 -1.26 -1.35 117.98 117.51 2k7i s PHE 16 Ca -0.03 -0.11 0.09 0.00 -1.04 0.00 0.00 56.93 55.83 2k7i s PHE 16 Cb -0.08 -1.56 -0.07 0.00 -1.21 0.00 0.00 43.02 40.10 2k7i s PHE 16 CO 0.00 0.33 -0.06 -0.98 -1.34 0.00 0.00 175.22 173.17 2k7i s ARG 17 N -1.44 1.84 -0.04 1.99 1.70 -0.62 -1.59 118.95 120.78 2k7i s ARG 17 Ca 0.16 -1.97 0.05 0.00 -0.47 0.00 0.00 55.73 53.50 2k7i s ARG 17 Cb -0.11 -1.64 -0.01 0.00 -0.57 0.00 0.00 34.95 32.63 2k7i s ARG 17 CO 0.07 0.08 -0.19 0.12 -1.08 0.00 0.00 175.30 174.30 2k7i s PHE 18 N -2.68 1.82 0.51 5.89 5.36 -1.02 -1.39 117.98 126.47 2k7i s PHE 18 Ca 0.33 -0.47 0.05 0.00 -0.96 0.00 0.00 56.93 55.88 2k7i s PHE 18 Cb 0.05 -1.20 0.09 0.00 -0.34 0.00 0.00 43.02 41.61 2k7i s PHE 18 CO 0.17 -0.13 0.70 1.63 -1.46 0.00 0.00 175.22 176.12 2k7i n LYS 19 N 2.95 0.48 0.00 10.12 4.76 -1.00 -2.32 118.16 133.14 2k7i n LYS 19 Ca -0.17 -2.42 0.00 0.00 -2.87 0.00 0.00 58.31 52.85 2k7i n LYS 19 Cb 0.53 -0.30 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 2k7i n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k7i n ALA 20 N -2.61 0.00 -0.01 7.82 0.00 0.12 -4.62 120.51 121.21 2k7i n ALA 20 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 2k7i n ALA 20 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 2k7i n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k7i n SER 21 N 0.00 0.61 -1.36 0.00 3.41 -1.26 -3.50 113.62 111.52 2k7i n SER 21 Ca 0.00 0.28 0.09 0.00 -0.26 0.00 0.00 58.87 58.97 2k7i n SER 21 Cb 0.00 0.43 0.32 0.00 -0.26 0.00 0.00 64.21 64.70 2k7i n SER 21 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2k7i n ASN 22 N -2.85 4.43 -0.19 4.04 3.02 -1.26 -4.83 115.26 117.61 2k7i n ASN 22 Ca -0.16 -2.51 -0.02 0.00 -0.03 0.00 0.00 54.58 51.85 2k7i n ASN 22 Cb 0.95 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 2k7i n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k7i n GLY 23 N 0.74 0.53 3.80 7.41 0.00 -1.25 -5.06 105.19 111.35 2k7i n GLY 23 Ca 0.23 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.41 3.91 -0.10 1.61 0.41 -1.26 -4.82 118.70 116.04 2k7i s GLU 24 Ca 0.00 1.33 -0.01 0.00 -0.41 0.00 0.00 54.97 55.88 2k7i s GLU 24 Cb 0.00 -2.15 -0.03 0.00 -1.78 0.00 0.00 34.13 30.17 2k7i s GLU 24 CO 0.00 -0.33 -0.06 0.99 -0.49 0.00 0.00 175.26 175.37 2k7i s THR 25 N -1.99 3.73 -0.06 3.63 2.01 -1.26 0.13 115.64 121.83 2k7i s THR 25 Ca 0.65 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.26 2k7i s THR 25 Cb -0.15 -2.56 -0.09 0.00 0.01 0.00 0.00 72.50 69.71 2k7i s THR 25 CO 0.19 0.56 0.04 1.15 -0.69 0.00 0.00 174.62 175.88 2k7i n MET 26 N 2.69 2.47 -3.96 4.92 0.00 -0.98 -4.98 117.12 117.29 2k7i n MET 26 Ca -0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 57.70 57.41 2k7i n MET 26 Cb 0.53 -1.17 -0.07 0.00 0.00 0.00 0.00 33.22 32.51 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 -2.21 0.40 -0.00 3.17 -0.71 -1.24 -5.04 117.98 112.34 2k7i s PHE 27 Ca -0.03 -0.76 -0.03 0.00 -1.04 0.00 0.00 56.93 55.07 2k7i s PHE 27 Cb 0.02 -0.06 -0.00 0.00 -1.21 0.00 0.00 43.02 41.77 2k7i s PHE 27 CO 0.27 -0.71 0.05 0.45 -1.34 0.00 0.00 175.22 173.95 2k7i s SER 28 N -2.97 0.05 0.59 1.98 0.15 -1.26 -2.44 113.70 109.80 2k7i s SER 28 Ca 0.17 -0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.54 2k7i s SER 28 Cb 0.03 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 2k7i s SER 28 CO -0.00 -0.20 1.02 -0.55 1.20 0.00 0.00 173.24 174.72 2k7i s SER 29 N -0.78 6.15 0.50 5.45 0.15 -0.62 -4.96 113.70 119.58 2k7i s SER 29 Ca -0.09 1.57 0.29 0.00 0.70 0.00 0.00 55.95 58.42 2k7i s SER 29 Cb -0.05 -2.50 1.14 0.00 -1.71 0.00 0.00 66.02 62.90 2k7i s SER 29 CO 0.00 -0.92 1.91 1.05 1.20 0.00 0.00 173.24 176.48 2k7i h GLU 30 N 0.15 0.00 0.00 5.44 4.11 -1.93 -3.45 114.58 118.90 2k7i h GLU 30 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2k7i h GLU 30 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k7i h GLU 30 CO 0.60 0.11 0.00 0.41 0.07 0.00 0.00 179.01 180.20 2k7i n GLY 31 N 0.08 0.98 0.00 1.06 0.00 -1.26 -4.91 105.19 101.14 2k7i n GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 1.61 9.36 -1.26 -4.50 117.16 122.37 2k7i n TYR 32 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2k7i n TYR 32 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 -3.99 2.98 3.00 -1.26 -5.13 118.16 113.75 2k7i n LYS 33 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2k7i n LYS 33 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 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 0.18 0.04 3.14 0.00 -1.26 -4.69 121.76 118.16 2k7i s ALA 34 Ca 0.00 -1.20 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 2k7i s ALA 34 Cb 0.00 1.01 -0.17 0.00 0.00 0.00 0.00 23.12 23.96 2k7i s ALA 34 CO 0.00 -0.86 1.48 -0.22 0.00 0.00 0.00 175.76 176.17 2k7i h LYS 35 N 2.10 0.06 -0.71 0.00 1.63 -1.97 -0.11 116.57 117.56 2k7i h LYS 35 Ca -0.29 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.57 2k7i h LYS 35 Cb 1.24 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.80 2k7i h LYS 35 CO 0.38 0.31 0.38 0.00 -3.45 0.00 0.00 179.45 177.08 2k7i h ALA 36 N 0.74 0.97 0.00 5.00 0.00 -2.01 -1.39 119.26 122.57 2k7i h ALA 36 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2k7i h ALA 36 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k7i h ALA 36 CO 0.00 0.01 -0.18 0.77 0.00 0.00 0.00 179.25 179.86 2k7i h SER 37 N 0.66 0.00 0.10 0.00 0.02 -1.92 -2.71 113.55 109.71 2k7i h SER 37 Ca 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2k7i h SER 37 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2k7i h SER 37 CO -0.23 0.18 -0.05 0.00 -1.14 0.00 0.00 176.83 175.59 2k7i h ALA 38 N 1.82 -0.14 -0.17 3.77 0.00 0.11 -1.78 119.26 122.87 2k7i h ALA 38 Ca -0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2k7i h ALA 38 Cb 0.46 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2k7i h ALA 38 CO 0.02 -0.38 -0.06 0.82 0.00 0.00 0.00 179.25 179.65 2k7i h ILE 39 N -0.53 0.79 -0.94 0.00 5.03 -1.34 -0.58 117.51 119.94 2k7i h ILE 39 Ca -0.01 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.78 2k7i h ILE 39 Cb 0.43 0.79 -0.06 0.00 -3.03 0.00 0.00 36.82 34.95 2k7i h ILE 39 CO 0.02 0.00 0.61 0.45 -0.68 0.00 0.00 178.15 178.55 2k7i h HIS 40 N -0.03 1.11 0.64 1.37 3.86 -1.52 0.23 115.15 120.82 2k7i h HIS 40 Ca 0.09 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2k7i h HIS 40 Cb 0.16 -0.37 0.01 0.00 1.06 0.00 0.00 27.41 28.27 2k7i h HIS 40 CO -0.21 0.61 -0.31 0.00 0.86 0.00 0.00 177.93 178.88 2k7i h ALA 41 N 1.48 -0.86 -0.16 2.45 0.00 -1.03 -2.83 119.26 118.30 2k7i h ALA 41 Ca 0.39 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2k7i h ALA 41 Cb 0.11 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2k7i h ALA 41 CO -0.14 -0.99 0.16 0.82 0.00 0.00 0.00 179.25 179.11 2k7i h ILE 42 N -0.86 0.57 -0.20 0.00 2.04 -0.06 0.01 117.51 119.01 2k7i h ILE 42 Ca -0.09 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 2k7i h ILE 42 Cb 0.66 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2k7i h ILE 42 CO 0.14 0.00 -0.26 -0.33 0.00 0.00 0.00 178.15 177.70 2k7i h GLU 43 N 0.00 0.38 -1.00 2.37 5.08 -0.34 -0.76 114.58 120.32 2k7i h GLU 43 Ca 0.08 -0.14 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2k7i h GLU 43 Cb 0.40 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 2k7i h GLU 43 CO -0.00 0.62 0.63 0.77 -1.00 0.00 0.00 179.01 180.03 2k7i h SER 44 N 0.34 0.91 -0.38 1.42 0.02 -0.86 -2.71 113.55 112.30 2k7i h SER 44 Ca 0.05 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 2k7i h SER 44 Cb 0.64 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2k7i h SER 44 CO 0.05 0.48 -0.24 0.40 -1.14 0.00 0.00 176.83 176.38 2k7i h ILE 45 N 0.98 1.28 0.00 3.27 1.08 -1.18 -3.00 117.51 119.93 2k7i h ILE 45 Ca 0.50 -1.38 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 2k7i h ILE 45 Cb 0.51 1.35 -0.00 0.00 -3.07 0.00 0.00 36.82 35.61 2k7i h ILE 45 CO -0.26 0.46 -0.09 0.11 -0.69 0.00 0.00 178.15 177.68 2k7i h LYS 46 N 0.63 0.00 0.54 2.37 1.79 -1.13 -2.71 116.57 118.05 2k7i h LYS 46 Ca 0.08 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 2k7i h LYS 46 Cb 0.80 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.46 2k7i h LYS 46 CO 0.07 0.09 -0.26 0.00 -1.08 0.00 0.00 179.45 178.27 2k7i h ARG 47 N 0.00 -0.69 0.00 3.15 2.47 -1.35 -3.44 114.38 114.51 2k7i h ARG 47 Ca -0.00 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2k7i h ARG 47 Cb 0.21 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2k7i h ARG 47 CO 0.01 -0.41 -0.00 -1.71 0.56 0.00 0.00 179.97 178.42 2k7i n ASN 48 N -5.35 -0.01 0.09 7.04 5.15 -1.23 -5.02 115.26 115.93 2k7i n ASN 48 Ca -0.12 -0.25 0.03 0.00 -0.60 0.00 0.00 54.58 53.64 2k7i n ASN 48 Cb 0.32 0.00 0.42 0.00 -0.53 0.00 0.00 39.78 39.99 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 0.30 0.45 1.20 0.87 -1.66 0.30 113.55 115.02 2k7i h SER 49 Ca -0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2k7i h SER 49 Cb 0.26 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2k7i h SER 49 CO -0.00 0.35 0.00 0.00 -0.53 0.00 0.00 176.83 176.65 2k7i h ALA 50 N 1.70 1.00 -0.01 6.23 0.00 -1.96 -2.02 119.26 124.20 2k7i h ALA 50 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k7i h ALA 50 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k7i h ALA 50 CO 0.00 0.00 -0.30 0.41 0.00 0.00 0.00 179.25 179.36 2k7i n GLY 51 N -0.58 0.03 3.75 0.00 0.00 -0.05 -5.02 105.19 103.31 2k7i n GLY 51 Ca -0.01 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.91 3.46 0.78 4.61 0.00 -0.36 -5.02 121.76 123.32 2k7i s ALA 52 Ca 0.15 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 2k7i s ALA 52 Cb 0.14 -3.42 0.07 0.00 0.00 0.00 0.00 23.12 19.91 2k7i s ALA 52 CO 0.40 -0.41 1.13 0.34 0.00 0.00 0.00 175.76 177.22 2k7i s ASP 53 N -0.22 4.16 -0.48 0.00 2.15 -1.26 -5.00 116.67 116.01 2k7i s ASP 53 Ca 0.51 2.04 -0.04 0.00 0.43 0.00 0.00 52.55 55.48 2k7i s ASP 53 Cb -0.35 -2.55 0.13 0.00 -0.30 0.00 0.00 42.92 39.85 2k7i s ASP 53 CO 0.42 -2.27 0.30 -0.89 -0.17 0.00 0.00 175.17 172.55 2k7i s THR 54 N -2.58 3.61 -0.13 1.71 2.01 -1.26 -5.09 115.64 113.91 2k7i s THR 54 Ca 0.66 -2.22 -0.15 0.00 0.31 0.00 0.00 61.69 60.29 2k7i s THR 54 Cb -0.21 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2k7i s THR 54 CO 0.52 -0.76 0.36 -0.69 -0.69 0.00 0.00 174.62 173.36 2k7i s VAL 55 N 0.89 5.25 -0.17 3.82 1.01 -1.26 -5.10 120.40 124.84 2k7i s VAL 55 Ca 0.10 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 2k7i s VAL 55 Cb -0.23 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2k7i s VAL 55 CO -0.03 0.39 0.01 -0.62 0.00 0.00 0.00 175.10 174.84 2k7i s ASP 56 N 0.36 5.10 -0.21 3.32 2.15 -1.26 -4.99 116.67 121.14 2k7i s ASP 56 Ca 0.20 -0.07 0.11 0.00 0.43 0.00 0.00 52.55 53.22 2k7i s ASP 56 Cb -0.14 -1.86 -0.21 0.00 -0.30 0.00 0.00 42.92 40.42 2k7i s ASP 56 CO 0.07 0.15 -0.05 0.18 -0.17 0.00 0.00 175.17 175.34 2k7i n LEU 57 N 3.69 1.20 0.20 -1.34 7.99 -1.26 -4.51 117.00 122.98 2k7i n LEU 57 Ca -0.17 -0.05 0.09 0.00 -0.01 0.00 0.00 56.01 55.87 2k7i n LEU 57 Cb 0.52 -0.07 0.21 0.00 -0.11 0.00 0.00 43.42 43.98 2k7i n LEU 57 CO 0.33 0.66 0.73 0.00 -1.51 0.00 0.00 177.39 177.60 2k7i h THR 58 N 0.00 0.32 0.00 -5.08 1.03 -1.95 -1.93 112.91 105.30 2k7i h THR 58 Ca -0.54 -1.33 0.00 0.00 -0.01 0.00 0.00 66.41 64.54 2k7i h THR 58 Cb 2.06 2.05 0.00 0.00 -1.07 0.00 0.00 68.15 71.19 2k7i h THR 58 CO -0.02 0.17 -0.18 0.35 -0.01 0.00 0.00 175.52 175.83 2k7i n THR 59 N -3.17 0.00 -0.04 0.00 -2.24 -1.26 -4.55 114.28 103.02 2k7i n THR 59 Ca 0.03 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2k7i n THR 59 Cb 0.56 0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.00 0.06 0.00 -0.78 -1.53 -1.79 -3.46 114.93 107.43 2k7i h MET 60 Ca 0.00 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.20 2k7i h MET 60 Cb 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.07 2k7i h MET 60 CO 0.00 0.82 0.00 0.25 0.14 0.00 0.00 176.91 178.12 2k7i n THR 61 N -4.65 0.00 -0.94 -0.77 -2.24 -1.18 -5.10 114.28 99.40 2k7i n THR 61 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2k7i n THR 61 Cb 0.42 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2k7i n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50