#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 0.33 0.25 1.12 -0.85 -1.26 -3.97 117.35 112.97 2k7i s TYR 2 Ca 0.00 -0.77 -0.20 0.00 -0.52 0.00 0.00 57.07 55.57 2k7i s TYR 2 Cb 0.00 0.43 0.06 0.00 0.38 0.00 0.00 41.96 42.83 2k7i s TYR 2 CO 0.00 -1.25 0.91 -1.59 -1.52 0.00 0.00 175.55 172.10 2k7i s LYS 3 N -3.29 1.64 -0.38 -3.49 0.00 -1.26 -5.01 119.74 107.95 2k7i s LYS 3 Ca 0.20 -1.02 -0.17 0.00 0.00 0.00 0.00 55.97 54.97 2k7i s LYS 3 Cb -0.03 0.48 0.01 0.00 0.00 0.00 0.00 37.83 38.29 2k7i s LYS 3 CO 0.12 -0.77 0.47 -0.06 0.00 0.00 0.00 175.35 175.11 2k7i s PHE 4 N -2.60 3.17 -0.50 1.78 0.08 -1.26 -2.32 117.98 116.33 2k7i s PHE 4 Ca 0.17 -0.08 -0.19 0.00 0.12 0.00 0.00 56.93 56.95 2k7i s PHE 4 Cb -0.04 -2.90 0.05 0.00 -0.57 0.00 0.00 43.02 39.57 2k7i s PHE 4 CO 0.07 -0.60 0.64 -1.21 -0.10 0.00 0.00 175.22 174.01 2k7i s GLU 5 N 2.27 3.15 -0.27 0.44 2.02 -0.50 -4.94 118.70 120.86 2k7i s GLU 5 Ca 0.15 -0.81 -0.11 0.00 0.02 0.00 0.00 54.97 54.23 2k7i s GLU 5 Cb -0.16 -4.08 -0.05 0.00 0.10 0.00 0.00 34.13 29.94 2k7i s GLU 5 CO 0.14 -1.21 0.19 0.42 0.02 0.00 0.00 175.26 174.82 2k7i s ILE 6 N 2.70 5.31 0.26 -1.63 1.01 -1.26 -1.34 121.20 126.25 2k7i s ILE 6 Ca 0.16 0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.05 2k7i s ILE 6 Cb -0.18 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2k7i s ILE 6 CO 0.13 0.26 0.19 0.00 0.00 0.00 0.00 174.94 175.52 2k7i n TYR 7 N 4.96 -0.45 -4.36 3.97 4.11 -0.38 -5.00 117.16 120.01 2k7i n TYR 7 Ca -0.14 -2.07 -0.26 0.00 -0.00 0.00 0.00 57.90 55.43 2k7i n TYR 7 Cb 0.52 0.17 -0.12 0.00 -0.00 0.00 0.00 39.34 39.91 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 -3.04 1.34 0.68 -3.48 -2.07 -1.26 -1.20 119.66 110.63 2k7i s GLN 8 Ca 0.27 -1.35 -0.10 0.00 -1.82 0.00 0.00 55.36 52.36 2k7i s GLN 8 Cb 0.01 -1.67 0.01 0.00 -1.09 0.00 0.00 33.01 30.27 2k7i s GLN 8 CO 0.19 0.38 1.05 0.34 -1.32 0.00 0.00 175.29 175.93 2k7i s ASP 9 N -2.25 5.49 0.42 12.60 2.15 0.10 -4.80 116.67 130.38 2k7i s ASP 9 Ca 0.14 1.03 0.22 0.00 0.43 0.00 0.00 52.55 54.37 2k7i s ASP 9 Cb -0.09 -1.88 1.20 0.00 -0.30 0.00 0.00 42.92 41.85 2k7i s ASP 9 CO 0.07 -1.27 1.75 0.50 -0.17 0.00 0.00 175.17 176.05 2k7i h LYS 10 N -0.53 0.30 -0.31 4.34 3.11 -2.02 0.38 116.57 121.84 2k7i h LYS 10 Ca -0.45 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2k7i h LYS 10 Cb 1.25 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 2k7i h LYS 10 CO 0.63 0.20 0.00 0.00 -2.81 0.00 0.00 179.45 177.47 2k7i n ALA 11 N -2.51 2.34 -1.45 5.00 0.00 -1.26 -4.82 120.51 117.81 2k7i n ALA 11 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 2k7i n ALA 11 Cb 1.00 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.26 0.98 3.37 0.00 0.00 0.13 -4.98 105.19 104.95 2k7i n GLY 12 Ca 0.00 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.15 3.21 -0.03 1.61 2.02 -1.12 -4.72 118.70 116.52 2k7i s GLU 13 Ca 0.00 -1.65 -0.36 0.00 0.02 0.00 0.00 54.97 52.99 2k7i s GLU 13 Cb 0.00 -4.39 -0.14 0.00 0.10 0.00 0.00 34.13 29.71 2k7i s GLU 13 CO 0.00 -1.50 1.69 0.66 0.02 0.00 0.00 175.26 176.14 2k7i n TYR 14 N 5.76 2.15 -3.77 1.61 4.01 -1.26 -0.72 117.16 124.94 2k7i n TYR 14 Ca -0.01 0.26 -0.13 0.00 -0.16 0.00 0.00 57.90 57.86 2k7i n TYR 14 Cb 0.44 -2.55 -0.12 0.00 -0.31 0.00 0.00 39.34 36.80 2k7i n TYR 14 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k7i s ARG 15 N 2.57 0.26 -0.09 -0.72 0.52 -0.34 -3.34 118.95 117.81 2k7i s ARG 15 Ca 0.89 0.40 0.03 0.00 -0.52 0.00 0.00 55.73 56.53 2k7i s ARG 15 Cb -0.80 0.05 -0.01 0.00 0.52 0.00 0.00 34.95 34.71 2k7i s ARG 15 CO 0.50 -0.08 -0.17 -0.59 0.02 0.00 0.00 175.30 174.98 2k7i s PHE 16 N 0.50 2.67 0.28 -0.53 -0.12 -1.26 -1.25 117.98 118.28 2k7i s PHE 16 Ca -0.03 -0.60 0.08 0.00 -0.05 0.00 0.00 56.93 56.33 2k7i s PHE 16 Cb -0.05 -1.72 -0.04 0.00 -0.63 0.00 0.00 43.02 40.58 2k7i s PHE 16 CO -0.03 -0.15 0.11 -0.98 -0.05 0.00 0.00 175.22 174.12 2k7i s ARG 17 N -0.01 2.52 -0.08 1.99 1.70 -0.45 -1.78 118.95 122.84 2k7i s ARG 17 Ca -0.05 -1.34 0.04 0.00 -0.47 0.00 0.00 55.73 53.91 2k7i s ARG 17 Cb -0.14 -2.30 -0.01 0.00 -0.57 0.00 0.00 34.95 31.92 2k7i s ARG 17 CO 0.05 0.30 -0.20 0.12 -1.08 0.00 0.00 175.30 174.48 2k7i s PHE 18 N -2.29 2.59 0.57 5.89 5.36 -1.13 -1.41 117.98 127.56 2k7i s PHE 18 Ca 0.34 -0.65 0.05 0.00 -0.96 0.00 0.00 56.93 55.70 2k7i s PHE 18 Cb -0.06 -1.68 0.10 0.00 -0.34 0.00 0.00 43.02 41.05 2k7i s PHE 18 CO 0.22 -0.18 0.78 1.63 -1.46 0.00 0.00 175.22 176.22 2k7i n LYS 19 N 3.05 0.37 -4.23 10.12 4.76 -0.98 -2.46 118.16 128.79 2k7i n LYS 19 Ca -0.18 -2.63 -0.13 0.00 -2.87 0.00 0.00 58.31 52.51 2k7i n LYS 19 Cb 0.52 -0.37 -0.10 0.00 -1.84 0.00 0.00 35.03 33.24 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 -2.83 1.30 0.56 7.82 0.00 -0.19 -4.64 121.76 123.78 2k7i s ALA 20 Ca 0.56 -1.61 0.25 0.00 0.00 0.00 0.00 51.96 51.16 2k7i s ALA 20 Cb -0.04 0.72 1.54 0.00 0.00 0.00 0.00 23.12 25.34 2k7i s ALA 20 CO 0.36 -0.39 2.12 0.66 0.00 0.00 0.00 175.76 178.52 2k7i h SER 21 N 2.68 0.00 0.61 0.00 4.64 -1.89 -0.05 113.55 119.54 2k7i h SER 21 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2k7i h SER 21 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2k7i h SER 21 CO 0.61 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.37 2k7i n ASN 22 N -4.10 0.00 -1.86 4.97 5.15 -1.26 -4.90 115.26 113.26 2k7i n ASN 22 Ca 0.01 0.20 -0.10 0.00 -0.60 0.00 0.00 54.58 54.09 2k7i n ASN 22 Cb 0.28 -0.38 0.03 0.00 -0.53 0.00 0.00 39.78 39.18 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 0.81 0.27 3.27 8.20 0.00 -0.03 -5.06 105.19 112.65 2k7i n GLY 23 Ca 0.09 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2k7i n GLY 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k7i s GLU 24 N -5.34 2.10 0.06 1.61 -1.05 -1.25 -4.90 118.70 109.92 2k7i s GLU 24 Ca 0.19 -0.86 -0.20 0.00 -0.15 0.00 0.00 54.97 53.95 2k7i s GLU 24 Cb -0.09 -1.94 -0.06 0.00 -0.44 0.00 0.00 34.13 31.60 2k7i s GLU 24 CO 0.31 0.47 0.60 0.99 0.95 0.00 0.00 175.26 178.58 2k7i s THR 25 N -0.43 4.76 -0.20 1.83 2.01 -1.26 -1.02 115.64 121.33 2k7i s THR 25 Ca 0.05 1.28 0.05 0.00 0.31 0.00 0.00 61.69 63.38 2k7i s THR 25 Cb -0.11 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 2k7i s THR 25 CO 0.00 0.51 0.20 1.15 -0.69 0.00 0.00 174.62 175.79 2k7i n MET 26 N 2.03 4.37 -3.46 4.92 0.00 -1.03 -5.02 117.12 118.94 2k7i n MET 26 Ca -0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 57.70 57.49 2k7i n MET 26 Cb 0.51 -0.81 -0.02 0.00 0.00 0.00 0.00 33.22 32.89 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 -1.64 -0.47 -0.08 3.17 -0.71 -1.26 -5.03 117.98 111.96 2k7i s PHE 27 Ca 0.01 0.36 0.05 0.00 -1.04 0.00 0.00 56.93 56.31 2k7i s PHE 27 Cb 0.04 0.54 -0.00 0.00 -1.21 0.00 0.00 43.02 42.38 2k7i s PHE 27 CO 0.21 -0.71 -0.24 0.45 -1.34 0.00 0.00 175.22 173.59 2k7i s SER 28 N -2.49 3.05 0.60 1.98 0.15 -1.26 -2.83 113.70 112.91 2k7i s SER 28 Ca 0.01 -0.53 0.08 0.00 0.70 0.00 0.00 55.95 56.21 2k7i s SER 28 Cb -0.01 -1.12 0.10 0.00 -1.71 0.00 0.00 66.02 63.28 2k7i s SER 28 CO -0.09 0.20 0.83 -0.94 1.20 0.00 0.00 173.24 174.44 2k7i s SER 29 N 0.10 4.95 0.39 5.45 1.04 -0.73 -4.99 113.70 119.91 2k7i s SER 29 Ca -0.11 -0.78 0.15 0.00 0.48 0.00 0.00 55.95 55.69 2k7i s SER 29 Cb -0.16 0.27 0.82 0.00 0.10 0.00 0.00 66.02 67.05 2k7i s SER 29 CO 0.06 -1.45 1.85 -0.08 0.98 0.00 0.00 173.24 174.61 2k7i h GLU 30 N 0.04 0.00 0.00 4.02 4.81 -1.88 -3.42 114.58 118.16 2k7i h GLU 30 Ca -0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2k7i h GLU 30 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2k7i h GLU 30 CO 0.40 0.33 0.00 0.41 -0.73 0.00 0.00 179.01 179.43 2k7i n GLY 31 N -0.44 2.91 4.79 1.92 0.00 -1.21 -4.53 105.19 108.63 2k7i n GLY 31 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 0.00 0.02 1.61 9.36 -1.26 -3.65 117.16 121.24 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 -2.73 2.98 3.00 -1.26 -5.07 118.16 115.07 2k7i n LYS 33 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 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 n ALA 34 N -2.59 0.19 -0.03 3.14 0.00 -1.26 -4.66 120.51 115.31 2k7i n ALA 34 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 2k7i n ALA 34 Cb 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 2k7i n ALA 34 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2k7i h LYS 35 N 0.00 0.13 -0.80 0.00 5.09 -1.95 -0.37 116.57 118.67 2k7i h LYS 35 Ca -0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 60.65 60.58 2k7i h LYS 35 Cb 0.38 -0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.67 2k7i h LYS 35 CO 0.14 0.50 0.43 0.00 -2.09 0.00 0.00 179.45 178.44 2k7i h ALA 36 N 0.62 1.25 0.00 0.07 0.00 -1.98 -0.70 119.26 118.53 2k7i h ALA 36 Ca 0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2k7i h ALA 36 Cb 0.46 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k7i h ALA 36 CO 0.01 0.60 -0.56 0.77 0.00 0.00 0.00 179.25 180.07 2k7i h SER 37 N 1.12 0.00 -0.25 0.00 0.02 -1.88 -1.87 113.55 110.69 2k7i h SER 37 Ca 0.28 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.12 2k7i h SER 37 Cb 0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2k7i h SER 37 CO -0.04 0.56 -0.27 0.00 -1.14 0.00 0.00 176.83 175.93 2k7i h ALA 38 N 1.44 0.37 -0.31 3.77 0.00 0.06 -1.67 119.26 122.93 2k7i h ALA 38 Ca -0.01 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.55 2k7i h ALA 38 Cb 0.99 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2k7i h ALA 38 CO 0.07 0.37 0.08 0.82 0.00 0.00 0.00 179.25 180.59 2k7i h ILE 39 N 0.34 0.87 -0.96 0.00 5.03 -1.05 -1.44 117.51 120.30 2k7i h ILE 39 Ca 0.04 -0.07 0.04 0.00 -0.12 0.00 0.00 64.86 64.75 2k7i h ILE 39 Cb 0.84 0.66 -0.06 0.00 -3.03 0.00 0.00 36.82 35.24 2k7i h ILE 39 CO 0.07 0.04 0.63 0.45 -0.68 0.00 0.00 178.15 178.65 2k7i h HIS 40 N 0.19 1.17 0.24 1.37 3.86 -1.25 0.20 115.15 120.92 2k7i h HIS 40 Ca 0.14 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2k7i h HIS 40 Cb 0.14 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.22 2k7i h HIS 40 CO -0.16 0.67 -0.11 0.00 0.86 0.00 0.00 177.93 179.18 2k7i h ALA 41 N 1.45 -0.32 0.00 2.45 0.00 -1.13 -2.46 119.26 119.25 2k7i h ALA 41 Ca 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2k7i h ALA 41 Cb 0.03 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k7i h ALA 41 CO -0.12 -0.65 -0.02 0.82 0.00 0.00 0.00 179.25 179.28 2k7i h ILE 42 N -0.37 0.53 -0.10 0.00 2.04 -0.13 -0.93 117.51 118.54 2k7i h ILE 42 Ca -0.03 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 2k7i h ILE 42 Cb 0.29 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2k7i h ILE 42 CO 0.05 0.02 -0.30 -0.33 0.00 0.00 0.00 178.15 177.59 2k7i h GLU 43 N 0.00 0.19 -0.90 2.37 5.08 -0.17 -0.33 114.58 120.82 2k7i h GLU 43 Ca -0.00 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2k7i h GLU 43 Cb 0.05 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2k7i h GLU 43 CO 0.00 0.49 0.60 0.77 -1.00 0.00 0.00 179.01 179.86 2k7i h SER 44 N 0.17 1.00 -0.54 1.42 0.02 -1.04 -2.99 113.55 111.60 2k7i h SER 44 Ca 0.02 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2k7i h SER 44 Cb 0.63 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2k7i h SER 44 CO 0.05 0.71 -0.10 0.40 -1.14 0.00 0.00 176.83 176.74 2k7i h ILE 45 N 1.17 1.27 0.00 3.27 1.08 -1.09 -2.96 117.51 120.26 2k7i h ILE 45 Ca 0.35 -1.26 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 2k7i h ILE 45 Cb -0.06 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 2k7i h ILE 45 CO -0.09 0.44 0.00 0.11 -0.69 0.00 0.00 178.15 177.92 2k7i h LYS 46 N 0.90 0.00 0.17 2.37 1.79 -1.23 -2.76 116.57 117.81 2k7i h LYS 46 Ca 0.14 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2k7i h LYS 46 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2k7i h LYS 46 CO 0.05 0.00 -0.08 0.00 -1.08 0.00 0.00 179.45 178.34 2k7i h ARG 47 N 0.00 -0.22 0.00 3.15 2.47 -1.50 -3.46 114.38 114.83 2k7i h ARG 47 Ca 0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2k7i h ARG 47 Cb 0.17 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2k7i h ARG 47 CO 0.00 0.16 0.00 -1.71 0.56 0.00 0.00 179.97 178.98 2k7i n ASN 48 N -4.92 0.00 -0.16 7.04 5.15 -1.22 -5.01 115.26 116.14 2k7i n ASN 48 Ca -0.07 -0.66 -0.00 0.00 -0.60 0.00 0.00 54.58 53.24 2k7i n ASN 48 Cb 0.24 0.00 0.25 0.00 -0.53 0.00 0.00 39.78 39.74 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 0.78 0.27 1.20 0.87 -1.70 0.35 113.55 115.33 2k7i h SER 49 Ca 0.00 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2k7i h SER 49 Cb 0.66 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2k7i h SER 49 CO 0.00 0.64 -0.04 0.00 -0.53 0.00 0.00 176.83 176.91 2k7i h ALA 50 N 1.49 1.17 -0.01 6.23 0.00 -1.95 -2.41 119.26 123.78 2k7i h ALA 50 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2k7i h ALA 50 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k7i h ALA 50 CO -0.03 0.04 -0.34 0.41 0.00 0.00 0.00 179.25 179.33 2k7i n GLY 51 N -0.82 -0.11 3.76 0.00 0.00 -0.22 -5.04 105.19 102.76 2k7i n GLY 51 Ca -0.02 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.70 3.56 0.61 4.61 0.00 0.11 -4.99 121.76 123.95 2k7i s ALA 52 Ca 0.08 1.37 -0.18 0.00 0.00 0.00 0.00 51.96 53.24 2k7i s ALA 52 Cb 0.09 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 2k7i s ALA 52 CO 0.35 -0.79 1.17 0.34 0.00 0.00 0.00 175.76 176.84 2k7i s ASP 53 N -0.12 5.19 -0.22 0.00 2.15 -1.26 -4.99 116.67 117.42 2k7i s ASP 53 Ca 0.53 2.28 -0.02 0.00 0.43 0.00 0.00 52.55 55.77 2k7i s ASP 53 Cb -0.42 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.62 2k7i s ASP 53 CO 0.53 -1.59 -0.09 -0.89 -0.17 0.00 0.00 175.17 172.96 2k7i s THR 54 N -1.79 2.89 -0.09 1.71 2.01 -1.26 -5.11 115.64 114.00 2k7i s THR 54 Ca 0.74 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2k7i s THR 54 Cb -0.27 -2.33 0.02 0.00 0.01 0.00 0.00 72.50 69.92 2k7i s THR 54 CO 0.34 0.40 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.86 2k7i s VAL 55 N 1.39 1.21 -0.41 3.82 1.01 -1.26 -5.11 120.40 121.04 2k7i s VAL 55 Ca 0.04 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 2k7i s VAL 55 Cb -0.14 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.15 2k7i s VAL 55 CO -0.06 0.38 0.27 1.51 0.00 0.00 0.00 175.10 177.20 2k7i s ASP 56 N 1.02 5.85 0.44 3.32 -4.77 -1.26 -4.95 116.67 116.33 2k7i s ASP 56 Ca -0.07 -1.14 0.28 0.00 -3.30 0.00 0.00 52.55 48.32 2k7i s ASP 56 Cb -0.15 -2.07 0.95 0.00 -1.09 0.00 0.00 42.92 40.57 2k7i s ASP 56 CO -0.01 -0.47 1.82 -0.07 0.70 0.00 0.00 175.17 177.13 2k7i h LEU 57 N 8.52 0.00 0.00 2.11 -0.00 -2.02 -3.28 115.31 120.64 2k7i h LEU 57 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2k7i h LEU 57 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2k7i h LEU 57 CO 0.73 0.00 -0.47 1.07 -0.00 0.00 0.00 178.44 179.77 2k7i n THR 58 N -2.89 0.32 -2.58 0.22 5.66 -1.26 -4.96 114.28 108.80 2k7i n THR 58 Ca 0.02 -0.22 -0.11 0.00 -3.05 0.00 0.00 64.05 60.70 2k7i n THR 58 Cb 0.37 -0.17 -0.02 0.00 -1.55 0.00 0.00 70.33 68.96 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 -2.01 0.00 -2.89 1.09 -2.24 -1.24 -4.94 114.28 102.06 2k7i n THR 59 Ca 0.04 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.43 2k7i n THR 59 Cb 0.42 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 2k7i n THR 59 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2k7i s MET 60 N -4.35 4.67 0.14 -0.78 -1.94 -1.26 -4.98 119.30 110.80 2k7i s MET 60 Ca 0.21 1.28 -0.04 0.00 -1.71 0.00 0.00 55.69 55.43 2k7i s MET 60 Cb -0.12 -3.23 -0.05 0.00 2.01 0.00 0.00 34.83 33.43 2k7i s MET 60 CO 0.25 0.53 1.34 1.15 -0.01 0.00 0.00 175.02 178.29 2k7i h THR 61 N 3.20 1.39 0.00 2.05 2.02 -2.05 -3.53 112.91 115.98 2k7i h THR 61 Ca -0.46 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.39 2k7i h THR 61 Cb 1.20 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 2k7i h THR 61 CO 0.67 0.70 0.00 0.00 0.37 0.00 0.00 175.52 177.26