#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 2.49 0.29 1.12 -0.85 -1.26 -5.00 117.35 114.15 2k7i s TYR 2 Ca 0.00 1.54 -0.19 0.00 -0.52 0.00 0.00 57.07 57.90 2k7i s TYR 2 Cb 0.00 -3.35 0.06 0.00 0.38 0.00 0.00 41.96 39.05 2k7i s TYR 2 CO 0.00 -1.93 0.86 -1.59 -1.52 0.00 0.00 175.55 171.37 2k7i s LYS 3 N -3.55 1.81 -0.34 -3.49 0.00 -1.26 -4.96 119.74 107.95 2k7i s LYS 3 Ca 0.73 -1.13 -0.11 0.00 0.00 0.00 0.00 55.97 55.47 2k7i s LYS 3 Cb -0.26 0.53 0.00 0.00 0.00 0.00 0.00 37.83 38.11 2k7i s LYS 3 CO 0.34 -0.84 0.20 -0.06 0.00 0.00 0.00 175.35 174.99 2k7i s PHE 4 N -2.63 3.21 -0.44 1.78 0.40 -1.26 -1.60 117.98 117.43 2k7i s PHE 4 Ca 0.16 -0.60 -0.18 0.00 -0.60 0.00 0.00 56.93 55.71 2k7i s PHE 4 Cb -0.04 -2.42 0.03 0.00 0.51 0.00 0.00 43.02 41.09 2k7i s PHE 4 CO 0.08 -0.50 0.50 -1.21 0.70 0.00 0.00 175.22 174.80 2k7i s GLU 5 N 1.63 3.13 -0.31 0.44 2.02 -0.87 -4.92 118.70 119.81 2k7i s GLU 5 Ca 0.04 -0.71 -0.13 0.00 0.02 0.00 0.00 54.97 54.19 2k7i s GLU 5 Cb -0.18 -3.99 -0.03 0.00 0.10 0.00 0.00 34.13 30.04 2k7i s GLU 5 CO 0.08 -0.94 0.27 0.42 0.02 0.00 0.00 175.26 175.10 2k7i s ILE 6 N 2.33 5.26 0.37 -1.63 1.01 -1.26 -2.02 121.20 125.25 2k7i s ILE 6 Ca 0.14 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.93 2k7i s ILE 6 Cb -0.17 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2k7i s ILE 6 CO 0.14 0.08 0.22 -0.72 0.00 0.00 0.00 174.94 174.67 2k7i s TYR 7 N 1.84 1.77 0.07 3.97 1.13 -0.68 -5.00 117.35 120.46 2k7i s TYR 7 Ca 0.09 -1.53 0.08 0.00 -1.41 0.00 0.00 57.07 54.30 2k7i s TYR 7 Cb -0.17 -0.90 -0.03 0.00 -1.10 0.00 0.00 41.96 39.77 2k7i s TYR 7 CO 0.11 -0.65 -0.22 1.14 -2.51 0.00 0.00 175.55 173.41 2k7i s GLN 8 N -3.53 1.36 0.62 -3.49 -2.07 -1.26 -1.43 119.66 109.87 2k7i s GLN 8 Ca 0.33 -1.09 -0.10 0.00 -1.82 0.00 0.00 55.36 52.68 2k7i s GLN 8 Cb 0.02 -1.59 -0.02 0.00 -1.09 0.00 0.00 33.01 30.33 2k7i s GLN 8 CO 0.22 0.39 1.00 0.34 -1.32 0.00 0.00 175.29 175.93 2k7i s ASP 9 N -1.55 5.95 0.42 12.60 2.15 0.13 -4.84 116.67 131.55 2k7i s ASP 9 Ca 0.09 1.20 0.19 0.00 0.43 0.00 0.00 52.55 54.46 2k7i s ASP 9 Cb -0.10 -2.21 1.11 0.00 -0.30 0.00 0.00 42.92 41.42 2k7i s ASP 9 CO 0.03 -0.98 1.85 0.07 -0.17 0.00 0.00 175.17 175.97 2k7i h LYS 10 N -0.32 0.37 0.00 4.34 -0.00 -2.02 0.36 116.57 119.29 2k7i h LYS 10 Ca -0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 2k7i h LYS 10 Cb 1.22 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.36 2k7i h LYS 10 CO 0.62 0.25 0.00 0.00 -0.00 0.00 0.00 179.45 180.32 2k7i n ALA 11 N -2.52 1.85 -2.10 0.07 0.00 -1.26 -4.81 120.51 111.73 2k7i n ALA 11 Ca 0.20 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 2k7i n ALA 11 Cb 0.73 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.25 0.08 3.26 0.00 0.00 0.12 -5.01 105.19 103.39 2k7i n GLY 12 Ca 0.03 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.37 2.58 0.01 1.61 0.41 -1.13 -4.83 118.70 112.97 2k7i s GLU 13 Ca 0.00 -1.23 -0.31 0.00 -0.41 0.00 0.00 54.97 53.02 2k7i s GLU 13 Cb 0.00 -3.46 -0.09 0.00 -1.78 0.00 0.00 34.13 28.80 2k7i s GLU 13 CO 0.00 -0.69 1.98 0.66 -0.49 0.00 0.00 175.26 176.71 2k7i n TYR 14 N 4.79 2.46 -4.06 1.61 4.01 -1.26 -0.69 117.16 124.02 2k7i n TYR 14 Ca -0.12 -0.31 -0.16 0.00 -0.16 0.00 0.00 57.90 57.15 2k7i n TYR 14 Cb 0.44 -2.78 -0.15 0.00 -0.31 0.00 0.00 39.34 36.54 2k7i n TYR 14 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2k7i s ARG 15 N 4.51 0.38 0.43 -0.72 3.03 -0.51 -3.63 118.95 122.44 2k7i s ARG 15 Ca 0.90 -0.09 0.04 0.00 2.03 0.00 0.00 55.73 58.62 2k7i s ARG 15 Cb -0.47 -0.42 -0.05 0.00 -1.03 0.00 0.00 34.95 32.98 2k7i s ARG 15 CO 0.43 0.02 0.03 -0.59 -1.13 0.00 0.00 175.30 174.05 2k7i s PHE 16 N 0.28 2.16 0.21 5.89 -0.71 -1.26 -1.68 117.98 122.87 2k7i s PHE 16 Ca -0.03 -0.86 -0.05 0.00 -1.04 0.00 0.00 56.93 54.95 2k7i s PHE 16 Cb -0.06 -1.60 -0.03 0.00 -1.21 0.00 0.00 43.02 40.13 2k7i s PHE 16 CO -0.00 0.25 0.25 -0.98 -1.34 0.00 0.00 175.22 173.39 2k7i s ARG 17 N -3.79 1.31 -0.06 1.99 1.70 -0.86 -2.70 118.95 116.54 2k7i s ARG 17 Ca 0.25 -1.47 0.05 0.00 -0.47 0.00 0.00 55.73 54.09 2k7i s ARG 17 Cb 0.06 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.78 2k7i s ARG 17 CO 0.12 -0.47 -0.22 0.12 -1.08 0.00 0.00 175.30 173.77 2k7i s PHE 18 N -4.10 2.20 0.56 5.89 5.36 -1.00 -2.06 117.98 124.82 2k7i s PHE 18 Ca 0.32 -0.69 0.09 0.00 -0.96 0.00 0.00 56.93 55.69 2k7i s PHE 18 Cb 0.04 -1.46 0.09 0.00 -0.34 0.00 0.00 43.02 41.35 2k7i s PHE 18 CO 0.10 -0.23 0.76 1.63 -1.46 0.00 0.00 175.22 176.02 2k7i n LYS 19 N 3.12 0.62 -4.59 10.12 4.76 -0.63 -2.71 118.16 128.85 2k7i n LYS 19 Ca -0.18 -3.00 -0.28 0.00 -2.87 0.00 0.00 58.31 51.98 2k7i n LYS 19 Cb 0.52 -0.22 -0.08 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 s ALA 20 N -2.67 3.30 0.20 7.82 0.00 0.31 -4.49 121.76 126.23 2k7i s ALA 20 Ca 0.58 -0.99 0.17 0.00 0.00 0.00 0.00 51.96 51.72 2k7i s ALA 20 Cb -0.05 0.51 0.62 0.00 0.00 0.00 0.00 23.12 24.21 2k7i s ALA 20 CO 0.37 -0.23 1.72 0.66 0.00 0.00 0.00 175.76 178.27 2k7i h SER 21 N 1.65 0.00 -0.50 0.00 4.64 -1.94 -2.20 113.55 115.19 2k7i h SER 21 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2k7i h SER 21 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2k7i h SER 21 CO 0.63 0.42 0.00 0.59 -0.87 0.00 0.00 176.83 177.60 2k7i n ASN 22 N -3.61 3.51 0.00 4.97 3.02 -1.26 -4.87 115.26 117.02 2k7i n ASN 22 Ca -0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 2k7i n ASN 22 Cb 0.52 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.36 1.06 3.84 7.41 0.00 -0.83 -5.11 105.19 112.91 2k7i n GLY 23 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.19 3.70 -0.05 1.61 8.01 -1.25 -4.83 118.70 125.70 2k7i s GLU 24 Ca 0.00 0.96 0.06 0.00 0.01 0.00 0.00 54.97 55.99 2k7i s GLU 24 Cb 0.00 -2.10 -0.01 0.00 -4.31 0.00 0.00 34.13 27.72 2k7i s GLU 24 CO 0.00 -0.48 -0.23 0.99 0.01 0.00 0.00 175.26 175.54 2k7i s THR 25 N -2.74 1.91 -0.07 3.63 2.01 -1.26 -0.53 115.64 118.59 2k7i s THR 25 Ca 0.59 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.68 2k7i s THR 25 Cb -0.11 -1.62 -0.11 0.00 0.01 0.00 0.00 72.50 70.67 2k7i s THR 25 CO 0.38 0.53 0.19 1.15 -0.69 0.00 0.00 174.62 176.19 2k7i n MET 26 N 2.99 1.00 -3.71 4.92 0.00 -1.10 -5.01 117.12 116.22 2k7i n MET 26 Ca -0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 57.70 57.41 2k7i n MET 26 Cb 0.52 -1.12 -0.02 0.00 0.00 0.00 0.00 33.22 32.61 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 -2.36 -0.22 0.02 3.17 -0.71 -1.26 -5.05 117.98 111.58 2k7i s PHE 27 Ca -0.02 -0.09 -0.15 0.00 -1.04 0.00 0.00 56.93 55.63 2k7i s PHE 27 Cb 0.05 0.63 0.05 0.00 -1.21 0.00 0.00 43.02 42.54 2k7i s PHE 27 CO 0.30 -0.88 0.71 -1.13 -1.34 0.00 0.00 175.22 172.88 2k7i n SER 28 N -0.42 -0.80 0.00 1.98 3.41 -1.26 -2.38 113.62 114.14 2k7i n SER 28 Ca -0.07 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 2k7i n SER 28 Cb 0.61 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 2k7i n SER 28 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k7i n SER 29 N -0.79 -0.88 0.00 4.04 7.64 -1.10 -4.93 113.62 117.60 2k7i n SER 29 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2k7i n SER 29 Cb 0.34 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2k7i n SER 29 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k7i n GLU 30 N -2.29 0.00 0.00 1.43 4.07 -1.26 -4.94 120.64 117.65 2k7i n GLU 30 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2k7i n GLU 30 Cb 0.00 -0.04 0.00 0.00 -0.06 0.00 0.00 31.44 31.34 2k7i n GLU 30 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k7i n GLY 31 N 2.72 1.68 5.00 8.31 0.00 -1.24 -4.31 105.19 117.35 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 -2.00 0.00 0.19 1.61 9.36 -1.26 -3.81 117.16 121.25 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 -3.10 2.98 3.00 -1.26 -5.07 118.16 114.71 2k7i n LYS 33 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 2k7i n LYS 33 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 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 -3.37 0.35 -0.00 3.14 0.00 -1.25 -4.83 120.51 114.55 2k7i n ALA 34 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 53.44 52.35 2k7i n ALA 34 Cb 0.00 0.77 -0.09 0.00 0.00 0.00 0.00 19.45 20.13 2k7i n ALA 34 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k7i h LYS 35 N 0.00 -0.01 -0.53 0.00 3.11 -1.96 -0.46 116.57 116.72 2k7i h LYS 35 Ca -0.12 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.81 2k7i h LYS 35 Cb 0.59 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.75 2k7i h LYS 35 CO 0.17 0.40 0.16 0.00 -2.81 0.00 0.00 179.45 177.37 2k7i h ALA 36 N 0.58 0.64 0.00 5.00 0.00 -1.98 -0.51 119.26 122.99 2k7i h ALA 36 Ca -0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2k7i h ALA 36 Cb 0.41 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k7i h ALA 36 CO 0.00 -0.25 -0.26 0.77 0.00 0.00 0.00 179.25 179.51 2k7i h SER 37 N 0.32 0.00 -0.17 0.00 0.02 -1.89 -2.71 113.55 109.11 2k7i h SER 37 Ca 0.27 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2k7i h SER 37 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2k7i h SER 37 CO -0.30 0.26 -0.04 0.00 -1.14 0.00 0.00 176.83 175.61 2k7i h ALA 38 N 1.74 0.24 -0.34 3.77 0.00 0.53 -1.41 119.26 123.79 2k7i h ALA 38 Ca -0.00 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2k7i h ALA 38 Cb 0.49 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2k7i h ALA 38 CO 0.03 0.01 0.04 0.82 0.00 0.00 0.00 179.25 180.15 2k7i h ILE 39 N 0.05 0.81 -0.97 0.00 5.03 -1.20 -1.66 117.51 119.57 2k7i h ILE 39 Ca 0.04 -0.05 0.06 0.00 -0.12 0.00 0.00 64.86 64.79 2k7i h ILE 39 Cb 0.48 0.64 -0.06 0.00 -3.03 0.00 0.00 36.82 34.85 2k7i h ILE 39 CO 0.02 0.03 0.63 0.45 -0.68 0.00 0.00 178.15 178.59 2k7i h HIS 40 N 0.15 1.16 0.27 1.37 3.86 -1.38 0.13 115.15 120.71 2k7i h HIS 40 Ca 0.16 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2k7i h HIS 40 Cb 0.19 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 2k7i h HIS 40 CO -0.20 0.62 -0.20 0.00 0.86 0.00 0.00 177.93 179.01 2k7i h ALA 41 N 1.47 -0.45 -0.04 2.45 0.00 -0.99 -2.48 119.26 119.21 2k7i h ALA 41 Ca 0.41 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.25 2k7i h ALA 41 Cb 0.14 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k7i h ALA 41 CO -0.15 -0.77 0.04 0.82 0.00 0.00 0.00 179.25 179.18 2k7i h ILE 42 N -0.47 0.68 -0.10 0.00 2.04 -0.29 -1.01 117.51 118.35 2k7i h ILE 42 Ca -0.02 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 2k7i h ILE 42 Cb 0.41 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2k7i h ILE 42 CO 0.00 0.00 -0.30 -0.33 0.00 0.00 0.00 178.15 177.52 2k7i h GLU 43 N 0.00 0.19 -0.87 2.37 5.08 -0.33 -1.20 114.58 119.82 2k7i h GLU 43 Ca 0.02 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 2k7i h GLU 43 Cb 0.09 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 2k7i h GLU 43 CO -0.00 0.48 0.56 0.77 -1.00 0.00 0.00 179.01 179.82 2k7i h SER 44 N 0.17 0.75 -0.26 1.42 0.02 -0.98 -2.73 113.55 111.93 2k7i h SER 44 Ca 0.02 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 2k7i h SER 44 Cb 0.63 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2k7i h SER 44 CO 0.05 0.43 -0.25 0.40 -1.14 0.00 0.00 176.83 176.32 2k7i h ILE 45 N 0.82 1.31 -0.04 3.27 1.08 -1.28 -2.97 117.51 119.69 2k7i h ILE 45 Ca 0.41 -1.41 0.01 0.00 -0.39 0.00 0.00 64.86 63.48 2k7i h ILE 45 Cb 0.46 1.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.83 2k7i h ILE 45 CO -0.17 0.44 0.05 0.11 -0.69 0.00 0.00 178.15 177.90 2k7i h LYS 46 N 0.35 0.00 0.22 2.37 6.56 -1.22 -2.30 116.57 122.55 2k7i h LYS 46 Ca 0.04 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 2k7i h LYS 46 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 2k7i h LYS 46 CO 0.06 0.00 -0.11 0.00 -2.06 0.00 0.00 179.45 177.35 2k7i h ARG 47 N 0.00 -0.29 0.00 3.15 2.47 -1.35 -3.45 114.38 114.92 2k7i h ARG 47 Ca 0.02 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2k7i h ARG 47 Cb 0.13 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2k7i h ARG 47 CO -0.00 -0.01 0.00 -1.71 0.56 0.00 0.00 179.97 178.81 2k7i n ASN 48 N -5.11 0.00 0.12 7.04 2.85 -1.21 -5.03 115.26 113.93 2k7i n ASN 48 Ca -0.09 -0.16 0.01 0.00 -0.11 0.00 0.00 54.58 54.24 2k7i n ASN 48 Cb 0.22 0.00 0.35 0.00 1.24 0.00 0.00 39.78 41.59 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 0.19 -0.34 1.20 0.87 -1.59 0.63 113.55 114.51 2k7i h SER 49 Ca 0.00 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2k7i h SER 49 Cb 0.16 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2k7i h SER 49 CO 0.00 0.44 0.23 0.00 -0.53 0.00 0.00 176.83 176.97 2k7i h ALA 50 N 1.58 1.79 -0.22 6.23 0.00 -1.96 -2.40 119.26 124.29 2k7i h ALA 50 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k7i h ALA 50 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k7i h ALA 50 CO 0.04 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2k7i n GLY 51 N -1.49 1.04 3.66 0.00 0.00 0.03 -4.99 105.19 103.44 2k7i n GLY 51 Ca 0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.72 1.08 0.38 4.61 0.00 -0.15 -5.05 121.76 120.90 2k7i s ALA 52 Ca 0.35 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 2k7i s ALA 52 Cb 0.21 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 2k7i s ALA 52 CO 0.30 -2.77 0.68 0.34 0.00 0.00 0.00 175.76 174.30 2k7i s ASP 53 N -3.04 6.41 -0.48 0.00 2.15 -1.26 -5.05 116.67 115.40 2k7i s ASP 53 Ca 0.65 0.87 -0.06 0.00 0.43 0.00 0.00 52.55 54.45 2k7i s ASP 53 Cb -0.21 -2.21 0.13 0.00 -0.30 0.00 0.00 42.92 40.33 2k7i s ASP 53 CO 0.59 -0.36 0.31 -0.89 -0.17 0.00 0.00 175.17 174.65 2k7i s THR 54 N -2.36 3.77 -0.20 1.71 2.01 -1.26 -5.09 115.64 114.22 2k7i s THR 54 Ca 0.47 -2.12 -0.13 0.00 0.31 0.00 0.00 61.69 60.21 2k7i s THR 54 Cb -0.10 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 2k7i s THR 54 CO 0.35 -0.76 0.27 -0.69 -0.69 0.00 0.00 174.62 173.09 2k7i s VAL 55 N 0.99 5.30 -0.33 3.82 1.01 -1.26 -5.08 120.40 124.86 2k7i s VAL 55 Ca 0.09 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 2k7i s VAL 55 Cb -0.23 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2k7i s VAL 55 CO -0.03 0.34 0.11 -0.62 0.00 0.00 0.00 175.10 174.90 2k7i s ASP 56 N 0.78 5.29 0.07 3.32 -1.08 -1.26 -4.96 116.67 118.83 2k7i s ASP 56 Ca 0.14 -1.00 0.23 0.00 -0.52 0.00 0.00 52.55 51.39 2k7i s ASP 56 Cb -0.13 -1.88 0.03 0.00 -1.46 0.00 0.00 42.92 39.48 2k7i s ASP 56 CO 0.04 -0.29 1.01 0.18 0.52 0.00 0.00 175.17 176.63 2k7i n LEU 57 N 4.84 0.61 -0.44 -1.34 7.99 -1.26 -4.34 117.00 123.06 2k7i n LEU 57 Ca -0.13 0.05 0.06 0.00 -0.01 0.00 0.00 56.01 55.98 2k7i n LEU 57 Cb 0.46 -0.09 0.21 0.00 -0.11 0.00 0.00 43.42 43.89 2k7i n LEU 57 CO 0.32 -0.00 0.66 1.07 -1.51 0.00 0.00 177.39 177.93 2k7i n THR 58 N -2.10 0.27 0.37 -5.08 5.66 -1.26 -2.70 114.28 109.44 2k7i n THR 58 Ca 0.01 -0.31 0.14 0.00 -3.05 0.00 0.00 64.05 60.85 2k7i n THR 58 Cb 0.46 0.17 0.50 0.00 -1.55 0.00 0.00 70.33 69.91 2k7i n THR 58 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 2k7i h THR 59 N 1.49 0.00 0.00 1.09 1.35 -2.02 -3.28 112.91 111.54 2k7i h THR 59 Ca 0.00 -0.49 -0.07 0.00 -0.55 0.00 0.00 66.41 65.30 2k7i h THR 59 Cb 0.34 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 2k7i h THR 59 CO 0.00 0.00 -0.68 -0.03 -0.25 0.00 0.00 175.52 174.56 2k7i h MET 60 N 0.00 0.00 -7.02 4.72 -1.53 -1.84 -3.48 114.93 105.78 2k7i h MET 60 Ca 0.00 0.00 -0.51 0.00 -3.44 0.00 0.00 59.70 55.75 2k7i h MET 60 Cb 0.58 0.00 0.07 0.00 -0.55 0.00 0.00 31.60 31.69 2k7i h MET 60 CO 0.00 0.33 0.48 0.95 0.14 0.00 0.00 176.91 178.81 2k7i s THR 61 N -2.22 3.10 0.00 -0.77 -4.23 -1.24 -5.22 115.64 105.07 2k7i s THR 61 Ca -0.18 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 2k7i s THR 61 Cb 0.03 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2k7i s THR 61 CO 0.33 -0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.37