#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 0.47 0.36 1.12 -0.85 -1.26 -3.69 117.35 113.50 2k7i s TYR 2 Ca 0.00 -0.91 -0.17 0.00 -0.52 0.00 0.00 57.07 55.47 2k7i s TYR 2 Cb 0.00 0.38 0.05 0.00 0.38 0.00 0.00 41.96 42.76 2k7i s TYR 2 CO 0.00 -1.27 0.77 -1.59 -1.52 0.00 0.00 175.55 171.94 2k7i s LYS 3 N -3.06 2.13 -0.28 -3.49 0.00 -1.26 -5.02 119.74 108.75 2k7i s LYS 3 Ca 0.22 -1.33 -0.11 0.00 0.00 0.00 0.00 55.97 54.75 2k7i s LYS 3 Cb -0.03 0.62 -0.04 0.00 0.00 0.00 0.00 37.83 38.38 2k7i s LYS 3 CO 0.14 -0.99 0.18 -0.06 0.00 0.00 0.00 175.35 174.61 2k7i s PHE 4 N -2.70 3.20 -0.38 1.78 0.40 -1.26 -1.55 117.98 117.47 2k7i s PHE 4 Ca 0.14 0.02 -0.18 0.00 -0.60 0.00 0.00 56.93 56.32 2k7i s PHE 4 Cb -0.05 -2.37 0.01 0.00 0.51 0.00 0.00 43.02 41.11 2k7i s PHE 4 CO 0.10 -0.20 0.48 -1.21 0.70 0.00 0.00 175.22 175.09 2k7i s GLU 5 N 1.74 3.41 -0.24 0.44 2.02 -0.18 -4.94 118.70 120.96 2k7i s GLU 5 Ca 0.07 -0.41 -0.07 0.00 0.02 0.00 0.00 54.97 54.58 2k7i s GLU 5 Cb -0.16 -3.87 -0.03 0.00 0.10 0.00 0.00 34.13 30.17 2k7i s GLU 5 CO 0.10 -0.73 0.05 0.42 0.02 0.00 0.00 175.26 175.12 2k7i s ILE 6 N 2.31 4.26 0.23 -1.63 1.01 -1.26 -1.44 121.20 124.68 2k7i s ILE 6 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 2k7i s ILE 6 Cb -0.16 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.37 2k7i s ILE 6 CO 0.14 0.37 0.44 0.00 0.00 0.00 0.00 174.94 175.88 2k7i n TYR 7 N 4.70 -1.69 -4.73 3.97 4.11 -0.73 -5.02 117.16 117.77 2k7i n TYR 7 Ca -0.16 -1.15 -0.30 0.00 -0.00 0.00 0.00 57.90 56.28 2k7i n TYR 7 Cb 0.52 0.51 -0.14 0.00 -0.00 0.00 0.00 39.34 40.23 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 -2.12 1.78 0.53 -3.48 -2.07 -1.26 -1.32 119.66 111.71 2k7i s GLN 8 Ca 0.11 -1.13 0.07 0.00 -1.82 0.00 0.00 55.36 52.58 2k7i s GLN 8 Cb -0.03 -2.01 0.07 0.00 -1.09 0.00 0.00 33.01 29.95 2k7i s GLN 8 CO 0.08 0.50 0.59 -0.40 -1.32 0.00 0.00 175.29 174.74 2k7i n ASP 9 N 1.52 2.26 -0.43 12.60 5.75 -0.11 -4.87 116.55 133.27 2k7i n ASP 9 Ca -0.17 -2.58 0.35 0.00 -0.01 0.00 0.00 54.79 52.38 2k7i n ASP 9 Cb 0.52 -0.24 0.64 0.00 -1.03 0.00 0.00 41.12 41.01 2k7i n ASP 9 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 2k7i h LYS 10 N 0.00 0.13 0.00 0.11 -0.00 -2.02 0.29 116.57 115.08 2k7i h LYS 10 Ca -0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.36 2k7i h LYS 10 Cb 1.17 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.37 2k7i h LYS 10 CO 0.42 0.09 0.00 0.00 -0.00 0.00 0.00 179.45 179.96 2k7i n ALA 11 N -2.54 2.47 -1.93 0.07 0.00 -1.26 -4.82 120.51 112.50 2k7i n ALA 11 Ca 0.35 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.59 2k7i n ALA 11 Cb 1.34 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.73 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 0.48 0.83 3.79 0.00 0.00 0.10 -4.99 105.19 105.41 2k7i n GLY 12 Ca 0.01 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2k7i n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k7i s GLU 13 N -4.25 3.90 -0.12 1.61 2.56 -1.14 -4.81 118.70 116.45 2k7i s GLU 13 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 54.97 54.71 2k7i s GLU 13 Cb 0.00 -3.32 -0.04 0.00 2.00 0.00 0.00 34.13 32.77 2k7i s GLU 13 CO 0.00 0.50 0.46 0.71 -0.56 0.00 0.00 175.26 176.37 2k7i s TYR 14 N -0.25 3.51 -0.01 5.30 1.51 -1.26 -0.94 117.35 125.22 2k7i s TYR 14 Ca 0.13 0.86 0.00 0.00 -1.01 0.00 0.00 57.07 57.06 2k7i s TYR 14 Cb -0.12 -2.53 0.01 0.00 -0.11 0.00 0.00 41.96 39.21 2k7i s TYR 14 CO 0.02 0.18 -0.00 1.03 -1.11 0.00 0.00 175.55 175.67 2k7i s ARG 15 N 0.60 0.08 -0.08 -0.62 3.00 -0.43 -3.16 118.95 118.34 2k7i s ARG 15 Ca 0.25 0.02 0.04 0.00 0.00 0.00 0.00 55.73 56.04 2k7i s ARG 15 Cb -0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 34.95 34.64 2k7i s ARG 15 CO 0.10 -0.03 -0.22 -0.59 0.00 0.00 0.00 175.30 174.55 2k7i s PHE 16 N 0.29 2.55 0.18 -0.53 -0.71 -1.26 -1.78 117.98 116.71 2k7i s PHE 16 Ca -0.02 -0.76 0.07 0.00 -1.04 0.00 0.00 56.93 55.18 2k7i s PHE 16 Cb -0.04 -1.67 -0.04 0.00 -1.21 0.00 0.00 43.02 40.06 2k7i s PHE 16 CO -0.01 -0.24 -0.15 -0.98 -1.34 0.00 0.00 175.22 172.50 2k7i s ARG 17 N 0.01 1.25 -0.10 1.99 1.70 -0.52 -1.56 118.95 121.72 2k7i s ARG 17 Ca -0.08 -1.49 0.02 0.00 -0.47 0.00 0.00 55.73 53.72 2k7i s ARG 17 Cb -0.15 -1.10 -0.01 0.00 -0.57 0.00 0.00 34.95 33.12 2k7i s ARG 17 CO 0.05 0.19 -0.18 0.12 -1.08 0.00 0.00 175.30 174.41 2k7i s PHE 18 N -2.67 2.67 0.60 5.89 5.36 -1.06 -1.01 117.98 127.76 2k7i s PHE 18 Ca 0.18 -0.68 0.10 0.00 -0.96 0.00 0.00 56.93 55.58 2k7i s PHE 18 Cb -0.02 -1.74 0.10 0.00 -0.34 0.00 0.00 43.02 41.02 2k7i s PHE 18 CO 0.06 -0.20 0.82 0.15 -1.46 0.00 0.00 175.22 174.58 2k7i s LYS 19 N 0.09 2.22 0.15 10.12 -0.14 -0.59 -2.57 119.74 129.02 2k7i s LYS 19 Ca -0.08 -1.72 0.05 0.00 -1.36 0.00 0.00 55.97 52.85 2k7i s LYS 19 Cb -0.15 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.34 2k7i s LYS 19 CO 0.05 -0.95 -0.10 0.00 -0.76 0.00 0.00 175.35 173.59 2k7i s ALA 20 N -2.72 1.48 0.40 5.17 0.00 0.47 -4.55 121.76 122.01 2k7i s ALA 20 Ca 0.62 -1.50 0.23 0.00 0.00 0.00 0.00 51.96 51.31 2k7i s ALA 20 Cb -0.05 0.05 1.26 0.00 0.00 0.00 0.00 23.12 24.38 2k7i s ALA 20 CO 0.39 -0.09 1.67 0.77 0.00 0.00 0.00 175.76 178.50 2k7i h SER 21 N 2.77 0.36 -0.56 0.00 0.02 -1.89 -0.63 113.55 113.62 2k7i h SER 21 Ca -0.37 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2k7i h SER 21 Cb 1.19 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2k7i h SER 21 CO 0.63 -0.12 0.00 0.59 -1.14 0.00 0.00 176.83 176.80 2k7i n ASN 22 N -4.79 4.70 0.00 3.07 3.02 -1.26 -4.93 115.26 115.07 2k7i n ASN 22 Ca 0.33 -2.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.29 2k7i n ASN 22 Cb 1.18 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 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 0.75 0.69 3.83 7.41 0.00 -0.24 -5.07 105.19 112.55 2k7i n GLY 23 Ca 0.25 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.59 3.35 -0.02 1.61 0.41 -1.25 -4.78 118.70 117.43 2k7i s GLU 24 Ca 0.00 0.96 0.08 0.00 -0.41 0.00 0.00 54.97 55.60 2k7i s GLU 24 Cb 0.00 -2.05 -0.02 0.00 -1.78 0.00 0.00 34.13 30.29 2k7i s GLU 24 CO 0.00 -0.77 -0.26 0.99 -0.49 0.00 0.00 175.26 174.74 2k7i s THR 25 N -2.88 2.02 -0.02 3.63 2.01 -1.26 -0.40 115.64 118.74 2k7i s THR 25 Ca 0.59 -1.09 0.04 0.00 0.31 0.00 0.00 61.69 61.54 2k7i s THR 25 Cb -0.13 -1.68 -0.06 0.00 0.01 0.00 0.00 72.50 70.64 2k7i s THR 25 CO 0.47 0.57 0.06 1.15 -0.69 0.00 0.00 174.62 176.18 2k7i n MET 26 N 2.51 1.66 -3.83 4.92 0.00 -1.06 -5.02 117.12 116.29 2k7i n MET 26 Ca -0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 57.70 57.41 2k7i n MET 26 Cb 0.51 -1.11 -0.08 0.00 0.00 0.00 0.00 33.22 32.54 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 0.03 -0.04 3.17 -0.71 -1.26 -5.03 117.98 111.92 2k7i s PHE 27 Ca -0.02 -0.23 0.04 0.00 -1.04 0.00 0.00 56.93 55.68 2k7i s PHE 27 Cb 0.02 -0.01 -0.00 0.00 -1.21 0.00 0.00 43.02 41.82 2k7i s PHE 27 CO 0.18 -0.44 -0.16 0.45 -1.34 0.00 0.00 175.22 173.92 2k7i s SER 28 N -2.06 1.99 0.56 1.98 0.15 -1.26 -2.56 113.70 112.50 2k7i s SER 28 Ca -0.05 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.28 2k7i s SER 28 Cb -0.01 -0.58 0.08 0.00 -1.71 0.00 0.00 66.02 63.80 2k7i s SER 28 CO -0.04 0.13 0.57 -0.24 1.20 0.00 0.00 173.24 174.87 2k7i n SER 29 N 3.21 0.86 -0.20 5.45 2.88 -0.60 -5.00 113.62 120.22 2k7i n SER 29 Ca -0.18 -1.70 0.13 0.00 -1.33 0.00 0.00 58.87 55.79 2k7i n SER 29 Cb 0.53 -0.36 0.48 0.00 -0.75 0.00 0.00 64.21 64.11 2k7i n SER 29 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k7i n GLU 30 N -2.04 0.81 0.00 -1.46 1.02 -1.26 -4.65 120.64 113.06 2k7i n GLU 30 Ca 0.10 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 2k7i n GLU 30 Cb 0.35 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2k7i n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k7i n GLY 31 N 1.31 2.93 4.55 0.62 0.00 -1.19 -4.69 105.19 108.72 2k7i n GLY 31 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.09 1.61 9.36 -1.26 -3.49 117.16 121.47 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 -1.52 2.98 3.00 -1.26 -5.07 118.16 116.29 2k7i n LYS 33 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2k7i n LYS 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -2.84 -0.32 -0.10 3.14 0.00 -1.23 -4.89 120.51 114.27 2k7i n ALA 34 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 2k7i n ALA 34 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 0.92 -0.68 0.00 5.09 -1.94 -0.24 116.57 119.71 2k7i h LYS 35 Ca -0.06 -0.52 -0.00 0.00 0.09 0.00 0.00 60.65 60.16 2k7i h LYS 35 Cb 0.21 0.04 -0.03 0.00 0.10 0.00 0.00 32.23 32.54 2k7i h LYS 35 CO 0.07 1.17 0.42 0.00 -2.09 0.00 0.00 179.45 179.02 2k7i h ALA 36 N 0.74 0.87 0.00 0.07 0.00 -1.98 -0.71 119.26 118.24 2k7i h ALA 36 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2k7i h ALA 36 Cb 1.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2k7i h ALA 36 CO 0.11 0.33 -0.24 0.77 0.00 0.00 0.00 179.25 180.22 2k7i h SER 37 N 0.93 0.00 -0.07 0.00 0.02 -1.87 -2.73 113.55 109.83 2k7i h SER 37 Ca 0.24 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 2k7i h SER 37 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2k7i h SER 37 CO -0.05 0.24 -0.19 0.00 -1.14 0.00 0.00 176.83 175.69 2k7i h ALA 38 N 1.76 0.11 -0.10 3.77 0.00 0.15 -1.26 119.26 123.70 2k7i h ALA 38 Ca -0.00 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.57 2k7i h ALA 38 Cb 0.58 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2k7i h ALA 38 CO 0.03 0.06 -0.23 0.82 0.00 0.00 0.00 179.25 179.94 2k7i h ILE 39 N -0.25 0.45 -0.58 0.00 5.03 -1.13 -1.36 117.51 119.66 2k7i h ILE 39 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.72 2k7i h ILE 39 Cb 0.81 0.45 -0.03 0.00 -3.03 0.00 0.00 36.82 35.03 2k7i h ILE 39 CO 0.04 0.00 0.32 0.45 -0.68 0.00 0.00 178.15 178.28 2k7i h HIS 40 N -0.30 0.79 0.40 1.37 3.86 -1.51 0.92 115.15 120.67 2k7i h HIS 40 Ca 0.09 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2k7i h HIS 40 Cb 0.44 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2k7i h HIS 40 CO -0.31 0.55 -0.19 0.00 0.86 0.00 0.00 177.93 178.84 2k7i h ALA 41 N 1.54 -0.54 0.00 2.45 0.00 -1.06 -2.36 119.26 119.28 2k7i h ALA 41 Ca 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k7i h ALA 41 Cb 0.03 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k7i h ALA 41 CO -0.03 -0.77 -0.00 0.82 0.00 0.00 0.00 179.25 179.26 2k7i h ILE 42 N -0.59 0.20 0.00 0.00 2.04 -0.31 -0.61 117.51 118.24 2k7i h ILE 42 Ca -0.05 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 2k7i h ILE 42 Cb 0.44 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2k7i h ILE 42 CO 0.09 0.00 -0.41 -0.33 0.00 0.00 0.00 178.15 177.50 2k7i h GLU 43 N 0.00 0.00 -0.87 2.37 5.08 -0.31 -0.14 114.58 120.71 2k7i h GLU 43 Ca -0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2k7i h GLU 43 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2k7i h GLU 43 CO 0.00 0.41 0.53 0.77 -1.00 0.00 0.00 179.01 179.72 2k7i h SER 44 N 0.00 0.79 -0.44 1.42 0.02 -0.98 -3.11 113.55 111.24 2k7i h SER 44 Ca -0.00 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 2k7i h SER 44 Cb 0.87 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2k7i h SER 44 CO 0.05 0.47 -0.29 0.40 -1.14 0.00 0.00 176.83 176.32 2k7i h ILE 45 N 0.91 1.27 0.00 3.27 1.08 -1.10 -2.97 117.51 119.97 2k7i h ILE 45 Ca 0.41 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.42 2k7i h ILE 45 Cb 0.30 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 2k7i h ILE 45 CO -0.22 0.50 0.00 0.11 -0.69 0.00 0.00 178.15 177.85 2k7i h LYS 46 N 0.82 0.00 0.01 2.37 1.79 -1.36 -2.89 116.57 117.30 2k7i h LYS 46 Ca 0.09 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2k7i h LYS 46 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2k7i h LYS 46 CO 0.08 0.00 -0.00 0.00 -1.08 0.00 0.00 179.45 178.45 2k7i h ARG 47 N 0.00 -0.01 0.00 3.15 2.47 -1.52 -3.46 114.38 115.01 2k7i h ARG 47 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2k7i h ARG 47 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2k7i h ARG 47 CO 0.00 -0.01 -0.08 -1.71 0.56 0.00 0.00 179.97 178.73 2k7i n ASN 48 N -2.06 0.00 0.13 7.04 2.85 -1.24 -4.96 115.26 117.02 2k7i n ASN 48 Ca -0.00 -1.16 0.02 0.00 -0.11 0.00 0.00 54.58 53.33 2k7i n ASN 48 Cb 0.00 -0.03 0.38 0.00 1.24 0.00 0.00 39.78 41.37 2k7i n ASN 48 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 2k7i h SER 49 N 0.00 0.20 0.27 1.20 0.87 -1.70 0.35 113.55 114.75 2k7i h SER 49 Ca 0.00 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2k7i h SER 49 Cb 1.06 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2k7i h SER 49 CO 0.00 0.39 -0.11 0.00 -0.53 0.00 0.00 176.83 176.58 2k7i h ALA 50 N 1.63 1.39 -0.22 6.23 0.00 -1.93 -2.60 119.26 123.76 2k7i h ALA 50 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k7i h ALA 50 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k7i h ALA 50 CO 0.03 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2k7i n GLY 51 N -0.85 1.28 3.39 0.00 0.00 0.12 -5.03 105.19 104.11 2k7i n GLY 51 Ca -0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.08 -0.65 0.13 4.61 0.00 0.10 -5.07 121.76 119.81 2k7i s ALA 52 Ca 0.22 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2k7i s ALA 52 Cb 0.13 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 2k7i s ALA 52 CO 0.19 -4.28 0.25 -0.51 0.00 0.00 0.00 175.76 171.40 2k7i s ASP 53 N -2.89 6.25 -0.31 0.00 1.01 -1.26 -5.04 116.67 114.43 2k7i s ASP 53 Ca 0.69 0.16 -0.01 0.00 0.71 0.00 0.00 52.55 54.10 2k7i s ASP 53 Cb -0.18 -1.87 0.06 0.00 1.01 0.00 0.00 42.92 41.94 2k7i s ASP 53 CO 0.61 0.08 0.01 -0.89 0.21 0.00 0.00 175.17 175.18 2k7i s THR 54 N -1.69 2.82 -0.17 -1.27 2.01 -1.26 -5.10 115.64 110.97 2k7i s THR 54 Ca 0.34 -1.58 -0.04 0.00 0.31 0.00 0.00 61.69 60.72 2k7i s THR 54 Cb -0.11 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 2k7i s THR 54 CO 0.28 -0.20 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.29 2k7i s VAL 55 N 1.19 3.87 -0.35 3.82 1.01 -1.26 -5.10 120.40 123.57 2k7i s VAL 55 Ca -0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 2k7i s VAL 55 Cb -0.20 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.50 2k7i s VAL 55 CO -0.03 0.47 0.15 -0.62 0.00 0.00 0.00 175.10 175.07 2k7i s ASP 56 N 0.62 5.50 0.34 3.32 -1.08 -1.26 -4.97 116.67 119.15 2k7i s ASP 56 Ca -0.02 -1.08 0.23 0.00 -0.52 0.00 0.00 52.55 51.16 2k7i s ASP 56 Cb -0.14 -1.94 0.28 0.00 -1.46 0.00 0.00 42.92 39.66 2k7i s ASP 56 CO 0.02 -0.35 1.45 -0.07 0.52 0.00 0.00 175.17 176.74 2k7i h LEU 57 N 8.32 0.00 -2.47 -1.34 -0.00 -1.99 -3.33 115.31 114.50 2k7i h LEU 57 Ca -0.24 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.52 2k7i h LEU 57 Cb 1.09 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.69 2k7i h LEU 57 CO 0.63 0.00 0.14 1.07 -0.00 0.00 0.00 178.44 180.29 2k7i n THR 58 N -2.88 1.55 0.00 0.22 5.66 -1.26 -1.65 114.28 115.92 2k7i n THR 58 Ca 0.03 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 2k7i n THR 58 Cb 0.52 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 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 0.03 0.00 0.00 1.09 -2.24 -1.26 -4.97 114.28 106.94 2k7i n THR 59 Ca 0.19 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2k7i n THR 59 Cb 0.83 -0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2k7i n THR 59 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2k7i h MET 60 N 0.00 -0.01 -2.55 -0.78 2.07 -1.64 -3.46 114.93 108.57 2k7i h MET 60 Ca 0.00 0.00 -0.34 0.00 -2.07 0.00 0.00 59.70 57.29 2k7i h MET 60 Cb 0.31 0.00 -0.36 0.00 -1.87 0.00 0.00 31.60 29.67 2k7i h MET 60 CO 0.00 -0.00 -0.64 0.95 1.07 0.00 0.00 176.91 178.28 2k7i s THR 61 N -1.98 -0.30 0.00 2.22 -4.23 -0.66 -5.11 115.64 105.59 2k7i s THR 61 Ca -0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2k7i s THR 61 Cb 0.00 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.14 2k7i s THR 61 CO 0.00 -0.25 0.00 0.00 -0.54 0.00 0.00 174.62 173.84