#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k50 s GLU 3 N 0.00 4.44 0.33 3.44 0.41 -1.26 -4.15 118.70 121.91 1k50 s GLU 3 Ca 0.00 0.98 -0.00 0.00 -0.41 0.00 0.00 54.97 55.54 1k50 s GLU 3 Cb 0.00 -3.32 -0.01 0.00 -1.78 0.00 0.00 34.13 29.02 1k50 s GLU 3 CO 0.00 0.42 0.40 0.14 -0.49 0.00 0.00 175.26 175.72 1k50 s VAL 4 N -0.48 0.00 -0.08 2.63 -7.23 0.66 -4.95 120.40 110.94 1k50 s VAL 4 Ca 0.35 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 1k50 s VAL 4 Cb -0.21 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.17 1k50 s VAL 4 CO 0.22 0.00 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.94 1k50 s THR 5 N -3.28 1.60 -0.22 5.32 2.01 -1.26 -1.97 115.64 117.83 1k50 s THR 5 Ca 0.34 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 1k50 s THR 5 Cb 0.01 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 1k50 s THR 5 CO 0.21 0.46 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.94 1k50 s ILE 6 N 0.49 3.52 -0.29 1.82 -1.09 0.02 -4.85 121.20 120.83 1k50 s ILE 6 Ca -0.17 -0.44 -0.15 0.00 -2.23 0.00 0.00 60.65 57.66 1k50 s ILE 6 Cb -0.17 -2.61 -0.03 0.00 -1.58 0.00 0.00 42.46 38.07 1k50 s ILE 6 CO 0.06 0.41 0.39 -0.75 -1.23 0.00 0.00 174.94 173.83 1k50 s LYS 7 N 1.48 3.92 -0.22 2.79 2.20 0.18 -0.64 119.74 129.45 1k50 s LYS 7 Ca 0.06 -0.02 -0.06 0.00 -0.36 0.00 0.00 55.97 55.58 1k50 s LYS 7 Cb -0.14 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1k50 s LYS 7 CO -0.02 -0.35 0.03 0.00 -0.36 0.00 0.00 175.35 174.65 1k50 s ALA 8 N 2.11 3.11 -0.30 3.13 0.00 0.18 -0.41 121.76 129.59 1k50 s ALA 8 Ca 0.15 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 1k50 s ALA 8 Cb -0.16 -1.92 -0.00 0.00 0.00 0.00 0.00 23.12 21.04 1k50 s ALA 8 CO 0.10 -0.30 0.11 -0.80 0.00 0.00 0.00 175.76 174.88 1k50 s ASN 9 N 1.27 5.32 -0.19 0.00 0.01 0.13 -1.18 114.94 120.29 1k50 s ASN 9 Ca 0.04 -0.60 -0.12 0.00 -0.71 0.00 0.00 52.86 51.47 1k50 s ASN 9 Cb -0.15 -1.94 -0.05 0.00 0.41 0.00 0.00 41.25 39.53 1k50 s ASN 9 CO 0.02 -0.19 0.23 -0.76 -1.51 0.00 0.00 177.10 174.90 1k50 s LEU 10 N 1.56 4.20 -0.12 0.60 1.43 0.13 -0.37 118.68 126.10 1k50 s LEU 10 Ca 0.04 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1k50 s LEU 10 Cb -0.17 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.80 1k50 s LEU 10 CO 0.04 0.10 -0.19 -0.63 0.23 0.00 0.00 176.35 175.90 1k50 s ILE 11 N 0.62 1.83 0.20 -0.59 1.09 0.76 -1.08 121.20 124.03 1k50 s ILE 11 Ca 0.13 -0.85 0.05 0.00 -1.10 0.00 0.00 60.65 58.88 1k50 s ILE 11 Cb -0.13 -1.64 -0.04 0.00 -1.06 0.00 0.00 42.46 39.60 1k50 s ILE 11 CO 0.02 0.51 0.19 -0.36 -0.10 0.00 0.00 174.94 175.20 1k50 s PHE 12 N 0.85 3.20 0.52 3.97 0.40 -0.69 -0.76 117.98 125.47 1k50 s PHE 12 Ca -0.08 -0.03 0.28 0.00 -0.60 0.00 0.00 56.93 56.50 1k50 s PHE 12 Cb -0.15 -1.50 1.41 0.00 0.51 0.00 0.00 43.02 43.29 1k50 s PHE 12 CO -0.01 0.51 1.91 0.00 0.70 0.00 0.00 175.22 178.33 1k50 h ALA 13 N 1.98 2.68 0.00 5.36 0.00 -1.72 0.22 119.26 127.79 1k50 h ALA 13 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1k50 h ALA 13 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1k50 h ALA 13 CO 0.63 -0.92 0.00 0.27 0.00 0.00 0.00 179.25 179.23 1k50 n ASN 14 N -4.33 0.00 0.00 0.00 6.94 -1.26 -4.84 115.26 111.77 1k50 n ASN 14 Ca 0.17 0.17 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 1k50 n ASN 14 Cb 0.85 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 1k50 n ASN 14 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k50 n GLY 15 N -0.13 1.08 3.88 4.83 0.00 0.77 -5.05 105.19 110.57 1k50 n GLY 15 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1k50 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k50 s SER 16 N -2.75 5.49 0.18 1.61 1.04 -1.25 -4.85 113.70 113.17 1k50 s SER 16 Ca 0.00 1.18 -0.01 0.00 0.48 0.00 0.00 55.95 57.60 1k50 s SER 16 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.08 1k50 s SER 16 CO 0.00 -1.32 0.09 0.42 0.98 0.00 0.00 173.24 173.41 1k50 s THR 17 N -3.33 0.13 -0.11 2.02 -4.23 -1.26 -1.71 115.64 107.15 1k50 s THR 17 Ca 0.58 -1.96 -0.27 0.00 -1.18 0.00 0.00 61.69 58.85 1k50 s THR 17 Cb -0.11 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.48 1k50 s THR 17 CO 0.52 -0.21 0.65 -1.58 -0.54 0.00 0.00 174.62 173.46 1k50 s GLN 18 N -4.09 0.94 -0.01 3.99 0.74 -0.24 -4.98 119.66 116.02 1k50 s GLN 18 Ca 0.32 0.42 0.04 0.00 0.05 0.00 0.00 55.36 56.20 1k50 s GLN 18 Cb 0.07 0.45 -0.01 0.00 1.10 0.00 0.00 33.01 34.62 1k50 s GLN 18 CO 0.08 -0.25 -0.14 0.99 -0.55 0.00 0.00 175.29 175.42 1k50 s THR 19 N -0.74 1.10 -0.03 -0.34 2.01 -1.26 0.18 115.64 116.56 1k50 s THR 19 Ca -0.08 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1k50 s THR 19 Cb -0.02 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.57 1k50 s THR 19 CO 0.07 0.29 0.11 0.00 -0.69 0.00 0.00 174.62 174.40 1k50 s ALA 20 N -0.36 -0.27 -0.02 7.40 0.00 -0.33 -4.99 121.76 123.19 1k50 s ALA 20 Ca 0.05 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.19 1k50 s ALA 20 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1k50 s ALA 20 CO -0.00 -0.10 -0.06 -1.21 0.00 0.00 0.00 175.76 174.39 1k50 s GLU 21 N -0.37 2.64 -0.06 0.00 2.02 -1.26 0.52 118.70 122.19 1k50 s GLU 21 Ca -0.04 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.34 1k50 s GLU 21 Cb -0.03 -2.55 -0.00 0.00 0.10 0.00 0.00 34.13 31.65 1k50 s GLU 21 CO 0.00 0.63 -0.20 -0.06 0.02 0.00 0.00 175.26 175.65 1k50 s PHE 22 N -0.94 1.99 -0.12 1.61 0.40 0.18 -4.95 117.98 116.15 1k50 s PHE 22 Ca 0.16 -0.64 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1k50 s PHE 22 Cb -0.11 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.07 1k50 s PHE 22 CO 0.06 -0.23 -0.17 0.15 0.70 0.00 0.00 175.22 175.73 1k50 s LYS 23 N 0.11 3.26 0.00 0.44 1.02 -1.26 -0.80 119.74 122.51 1k50 s LYS 23 Ca -0.07 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.17 1k50 s LYS 23 Cb -0.14 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1k50 s LYS 23 CO 0.04 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.09 1k50 n GLY 24 N 3.50 -0.51 3.77 -3.33 0.00 -0.83 -4.79 105.19 102.99 1k50 n GLY 24 Ca -0.18 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1k50 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k50 s THR 25 N -3.34 3.02 0.18 2.61 -4.23 -1.26 -0.25 115.64 112.37 1k50 s THR 25 Ca 0.00 0.33 -0.14 0.00 -1.18 0.00 0.00 61.69 60.70 1k50 s THR 25 Cb 0.00 -2.96 0.10 0.00 1.34 0.00 0.00 72.50 70.98 1k50 s THR 25 CO 0.00 -0.43 1.70 0.15 -0.54 0.00 0.00 174.62 175.50 1k50 h PHE 26 N -1.23 0.07 -0.16 3.99 3.57 -1.92 0.66 116.94 121.93 1k50 h PHE 26 Ca -0.47 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 1k50 h PHE 26 Cb 1.27 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 1k50 h PHE 26 CO 0.47 -0.05 0.03 1.49 -2.23 0.00 0.00 178.31 178.02 1k50 h GLU 27 N 0.17 0.26 -0.22 1.11 4.81 -1.95 -1.20 114.58 117.57 1k50 h GLU 27 Ca 0.23 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1k50 h GLU 27 Cb 0.33 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1k50 h GLU 27 CO -0.34 0.44 0.04 -0.22 -0.73 0.00 0.00 179.01 178.20 1k50 h LYS 28 N 0.05 0.36 -0.36 1.92 3.64 -1.81 0.97 116.57 121.33 1k50 h LYS 28 Ca 0.05 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1k50 h LYS 28 Cb 0.30 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1k50 h LYS 28 CO 0.00 0.49 0.14 0.00 -2.27 0.00 0.00 179.45 177.82 1k50 h ALA 29 N 0.85 0.47 -0.42 5.00 0.00 -0.93 -0.67 119.26 123.56 1k50 h ALA 29 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1k50 h ALA 29 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1k50 h ALA 29 CO 0.00 0.07 0.19 1.15 0.00 0.00 0.00 179.25 180.67 1k50 h THR 30 N 0.44 1.19 -0.80 0.00 2.02 -1.11 -2.13 112.91 112.51 1k50 h THR 30 Ca 0.12 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.83 1k50 h THR 30 Cb 0.19 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1k50 h THR 30 CO -0.01 0.20 0.52 0.28 0.37 0.00 0.00 175.52 176.89 1k50 h SER 31 N 0.54 0.74 0.05 4.18 0.02 -0.45 -0.45 113.55 118.18 1k50 h SER 31 Ca 0.14 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 1k50 h SER 31 Cb 0.14 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1k50 h SER 31 CO -0.02 0.47 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.54 1k50 h GLU 32 N 0.84 0.36 -0.27 3.45 5.08 -0.64 -1.37 114.58 122.02 1k50 h GLU 32 Ca 0.35 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1k50 h GLU 32 Cb 0.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1k50 h GLU 32 CO -0.13 0.61 -0.10 0.00 -1.00 0.00 0.00 179.01 178.40 1k50 h ALA 33 N 1.39 0.38 -0.69 3.43 0.00 -0.49 -2.13 119.26 121.15 1k50 h ALA 33 Ca 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1k50 h ALA 33 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1k50 h ALA 33 CO 0.05 0.22 0.41 1.88 0.00 0.00 0.00 179.25 181.81 1k50 h TYR 34 N 0.29 0.91 -0.66 0.00 0.05 -1.09 -1.92 116.97 114.55 1k50 h TYR 34 Ca 0.06 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1k50 h TYR 34 Cb 0.59 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 1k50 h TYR 34 CO 0.06 0.62 0.36 0.00 -1.05 0.00 0.00 178.16 178.15 1k50 h ALA 35 N 1.21 1.40 -0.22 3.88 0.00 -1.05 0.56 119.26 125.04 1k50 h ALA 35 Ca 0.25 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1k50 h ALA 35 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1k50 h ALA 35 CO -0.05 0.50 -0.10 -0.92 0.00 0.00 0.00 179.25 178.68 1k50 h TYR 36 N 0.92 0.54 -0.85 0.00 3.20 -1.12 -1.14 116.97 118.51 1k50 h TYR 36 Ca 0.23 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1k50 h TYR 36 Cb 0.02 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 1k50 h TYR 36 CO 0.01 0.74 0.56 0.00 -1.64 0.00 0.00 178.16 177.83 1k50 h ALA 37 N 0.72 1.42 -0.47 1.82 0.00 -0.78 -1.35 119.26 120.61 1k50 h ALA 37 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1k50 h ALA 37 Cb 0.60 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1k50 h ALA 37 CO 0.03 0.53 0.03 -0.44 0.00 0.00 0.00 179.25 179.40 1k50 h ASP 38 N 1.13 0.72 0.62 0.00 3.32 -0.64 -2.02 116.42 119.55 1k50 h ASP 38 Ca 0.32 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1k50 h ASP 38 Cb -0.09 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 1k50 h ASP 38 CO -0.08 0.77 -0.16 0.71 -1.72 0.00 0.00 179.24 178.77 1k50 h THR 39 N 0.72 0.52 -0.01 0.35 1.35 -0.05 -2.67 112.91 113.12 1k50 h THR 39 Ca 0.15 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1k50 h THR 39 Cb 0.40 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1k50 h THR 39 CO 0.01 0.16 -0.10 0.18 -0.25 0.00 0.00 175.52 175.52 1k50 n LEU 40 N -3.49 0.65 0.19 3.87 4.77 -0.77 -4.05 117.00 118.16 1k50 n LEU 40 Ca -0.01 -0.11 0.04 0.00 -0.03 0.00 0.00 56.01 55.90 1k50 n LEU 40 Cb 0.32 -0.12 0.37 0.00 -2.33 0.00 0.00 43.42 41.66 1k50 n LEU 40 CO 0.31 0.12 0.71 0.11 -1.33 0.00 0.00 177.39 177.31 1k50 h LYS 41 N 0.87 0.00 -0.10 3.23 1.57 -1.33 -1.67 116.57 119.15 1k50 h LYS 41 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1k50 h LYS 41 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1k50 h LYS 41 CO 0.00 0.38 0.05 -0.22 -0.57 0.00 0.00 179.45 179.09 1k50 h LYS 42 N 0.00 0.13 -0.65 3.15 3.64 -1.78 -0.08 116.57 120.99 1k50 h LYS 42 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1k50 h LYS 42 Cb 0.72 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1k50 h LYS 42 CO 0.05 0.16 0.00 -0.25 -2.27 0.00 0.00 179.45 177.14 1k50 n ASP 43 N -4.98 3.85 0.00 4.20 8.00 -1.22 -4.51 116.55 121.89 1k50 n ASP 43 Ca -0.05 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.45 1k50 n ASP 43 Cb 0.07 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1k50 n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1k50 n ASN 44 N 1.63 0.04 0.00 -2.24 3.02 -0.63 -5.15 115.26 111.93 1k50 n ASN 44 Ca 0.23 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1k50 n ASN 44 Cb 0.62 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 1k50 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k50 n GLY 45 N 0.03 -2.76 3.77 7.41 0.00 -0.05 -4.09 105.19 109.49 1k50 n GLY 45 Ca 0.00 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 1k50 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k50 s GLU 46 N -0.79 2.84 0.21 1.61 0.41 -1.26 -4.25 118.70 117.48 1k50 s GLU 46 Ca 0.00 1.41 0.12 0.00 -0.41 0.00 0.00 54.97 56.08 1k50 s GLU 46 Cb 0.00 -1.95 -0.05 0.00 -1.78 0.00 0.00 34.13 30.35 1k50 s GLU 46 CO 0.00 -1.22 -0.23 1.67 -0.49 0.00 0.00 175.26 174.99 1k50 s TRP 47 N -2.30 2.30 0.31 1.61 1.48 -1.26 -1.12 118.94 119.96 1k50 s TRP 47 Ca 0.67 -0.35 0.04 0.00 -1.06 0.00 0.00 56.10 55.41 1k50 s TRP 47 Cb -0.21 -1.10 -0.06 0.00 -1.16 0.00 0.00 33.47 30.94 1k50 s TRP 47 CO 0.40 0.55 0.03 0.95 -4.06 0.00 0.00 176.95 174.83 1k50 s THR 48 N -1.88 1.26 0.10 0.66 -4.23 -0.29 -4.94 115.64 106.33 1k50 s THR 48 Ca 0.23 -2.03 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 1k50 s THR 48 Cb -0.07 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.10 1k50 s THR 48 CO 0.11 -0.10 0.27 0.00 -0.54 0.00 0.00 174.62 174.36 1k50 s ALA 49 N -3.25 -0.49 0.10 3.99 0.00 -1.26 -1.22 121.76 119.63 1k50 s ALA 49 Ca 0.34 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.93 1k50 s ALA 49 Cb 0.07 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1k50 s ALA 49 CO 0.14 -0.55 -0.07 0.34 0.00 0.00 0.00 175.76 175.62 1k50 s ASP 50 N -2.79 1.18 0.01 0.00 2.15 -0.64 -5.00 116.67 111.59 1k50 s ASP 50 Ca 0.04 -1.00 0.09 0.00 0.43 0.00 0.00 52.55 52.10 1k50 s ASP 50 Cb 0.04 0.09 -0.02 0.00 -0.30 0.00 0.00 42.92 42.72 1k50 s ASP 50 CO -0.11 -0.46 -0.26 0.68 -0.17 0.00 0.00 175.17 174.85 1k50 s VAL 51 N -3.59 2.10 0.40 1.11 -7.23 -1.26 -1.13 120.40 110.79 1k50 s VAL 51 Ca 0.12 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1k50 s VAL 51 Cb 0.05 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 1k50 s VAL 51 CO -0.04 0.47 0.11 0.00 -0.31 0.00 0.00 175.10 175.33 1k50 s ALA 52 N -0.71 2.84 -1.46 1.32 0.00 -0.28 -4.80 121.76 118.67 1k50 s ALA 52 Ca 0.11 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.65 1k50 s ALA 52 Cb -0.10 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.78 1k50 s ALA 52 CO 0.01 -0.33 0.65 -3.47 0.00 0.00 0.00 175.76 172.62 1k50 n ASP 53 N -1.18 -1.86 -2.36 0.00 2.03 -1.26 -1.74 116.55 110.17 1k50 n ASP 53 Ca -0.06 -0.93 -0.21 0.00 0.52 0.00 0.00 54.79 54.12 1k50 n ASP 53 Cb 0.65 -3.37 -0.01 0.00 -0.72 0.00 0.00 41.12 37.67 1k50 n ASP 53 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1k50 n LYS 54 N -4.43 -1.70 -0.15 -0.67 5.02 -1.26 -1.76 118.16 113.22 1k50 n LYS 54 Ca -0.17 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1k50 n LYS 54 Cb 0.62 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 1k50 n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k50 n GLY 55 N -0.98 0.59 0.57 0.72 0.00 -0.71 -4.94 105.19 100.43 1k50 n GLY 55 Ca -0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1k50 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k50 n TYR 56 N -2.00 0.00 -4.34 1.61 4.02 -0.72 -4.75 117.16 110.98 1k50 n TYR 56 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 1k50 n TYR 56 Cb 0.00 -0.01 -0.17 0.00 -0.02 0.00 0.00 39.34 39.15 1k50 n TYR 56 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1k50 s THR 57 N -2.04 1.23 -0.23 -0.72 2.01 -0.85 -0.64 115.64 114.40 1k50 s THR 57 Ca 0.35 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 1k50 s THR 57 Cb 0.21 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1k50 s THR 57 CO 0.34 0.39 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.85 1k50 s LEU 58 N 1.07 2.96 -0.48 4.42 1.43 0.46 -1.13 118.68 127.41 1k50 s LEU 58 Ca -0.06 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 1k50 s LEU 58 Cb -0.15 -1.72 0.10 0.00 0.03 0.00 0.00 46.19 44.46 1k50 s LEU 58 CO -0.02 -0.05 0.39 0.20 0.23 0.00 0.00 176.35 177.10 1k50 s ASN 59 N 1.44 5.95 -0.21 2.29 0.01 -0.29 0.18 114.94 124.32 1k50 s ASN 59 Ca 0.05 -1.64 -0.09 0.00 -0.71 0.00 0.00 52.86 50.47 1k50 s ASN 59 Cb -0.15 -2.11 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 1k50 s ASN 59 CO -0.04 -0.70 0.11 -0.63 -1.51 0.00 0.00 177.10 174.33 1k50 s ILE 60 N 1.52 5.10 -0.07 0.60 1.01 0.50 -1.61 121.20 128.24 1k50 s ILE 60 Ca 0.04 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.81 1k50 s ILE 60 Cb -0.26 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 1k50 s ILE 60 CO 0.03 0.42 -0.21 -0.75 0.00 0.00 0.00 174.94 174.42 1k50 s LYS 61 N 0.63 2.45 -0.18 2.79 2.20 -0.36 -0.17 119.74 127.10 1k50 s LYS 61 Ca 0.06 -0.76 -0.09 0.00 -0.36 0.00 0.00 55.97 54.82 1k50 s LYS 61 Cb -0.12 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.17 1k50 s LYS 61 CO 0.01 0.22 0.13 -0.06 -0.36 0.00 0.00 175.35 175.29 1k50 s PHE 62 N 0.20 3.43 0.00 4.03 0.40 0.06 -1.14 117.98 124.97 1k50 s PHE 62 Ca -0.11 0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 1k50 s PHE 62 Cb -0.15 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.26 1k50 s PHE 62 CO 0.05 0.36 0.00 0.00 0.70 0.00 0.00 175.22 176.34 1k50 n ALA 63 N 3.24 0.00 0.89 5.36 0.00 -0.27 -3.17 120.51 126.56 1k50 n ALA 63 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1k50 n ALA 63 Cb 0.53 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.40 1k50 n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91