#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 4.37 0.26 3.49 0.41 -1.26 -4.27 118.70 121.70 1k50 s GLU 3 Ca 0.00 0.94 0.02 0.00 -0.41 0.00 0.00 54.97 55.52 1k50 s GLU 3 Cb 0.00 -3.17 -0.04 0.00 -1.78 0.00 0.00 34.13 29.14 1k50 s GLU 3 CO 0.00 0.56 0.16 0.14 -0.49 0.00 0.00 175.26 175.63 1k50 s VAL 4 N -1.22 0.17 -0.11 2.63 -7.23 0.11 -4.94 120.40 109.82 1k50 s VAL 4 Ca 0.35 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1k50 s VAL 4 Cb -0.20 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.23 1k50 s VAL 4 CO 0.23 0.00 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.94 1k50 s THR 5 N -3.80 1.74 -0.29 5.32 2.01 -1.26 -1.76 115.64 117.60 1k50 s THR 5 Ca 0.38 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 1k50 s THR 5 Cb 0.06 -1.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.01 1k50 s THR 5 CO 0.17 0.49 0.09 -0.63 -0.69 0.00 0.00 174.62 174.05 1k50 s ILE 6 N 0.76 4.14 -0.30 1.82 -1.09 0.35 -4.83 121.20 122.05 1k50 s ILE 6 Ca -0.10 -0.55 -0.17 0.00 -2.23 0.00 0.00 60.65 57.60 1k50 s ILE 6 Cb -0.16 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.61 1k50 s ILE 6 CO 0.01 0.12 0.45 -0.75 -1.23 0.00 0.00 174.94 173.54 1k50 s LYS 7 N 1.54 3.83 -0.31 2.79 2.20 0.10 -0.92 119.74 128.98 1k50 s LYS 7 Ca 0.04 -0.03 -0.09 0.00 -0.36 0.00 0.00 55.97 55.53 1k50 s LYS 7 Cb -0.17 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 1k50 s LYS 7 CO 0.03 -0.45 0.13 0.00 -0.36 0.00 0.00 175.35 174.70 1k50 s ALA 8 N 2.22 3.19 -0.44 3.13 0.00 0.82 -0.35 121.76 130.33 1k50 s ALA 8 Ca 0.17 -1.46 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 1k50 s ALA 8 Cb -0.16 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.69 1k50 s ALA 8 CO 0.11 -0.98 0.37 -0.80 0.00 0.00 0.00 175.76 174.46 1k50 s ASN 9 N 1.55 6.14 -0.10 0.00 0.01 0.57 -0.85 114.94 122.27 1k50 s ASN 9 Ca 0.03 -1.00 -0.18 0.00 -0.71 0.00 0.00 52.86 51.01 1k50 s ASN 9 Cb -0.17 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1k50 s ASN 9 CO 0.05 -0.55 0.46 -0.76 -1.51 0.00 0.00 177.10 174.79 1k50 s LEU 10 N 1.79 4.31 -0.18 0.60 1.43 0.13 -0.37 118.68 126.39 1k50 s LEU 10 Ca 0.06 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1k50 s LEU 10 Cb -0.20 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.37 1k50 s LEU 10 CO 0.10 0.06 -0.15 -0.63 0.23 0.00 0.00 176.35 175.95 1k50 s ILE 11 N 0.33 1.83 0.42 -0.59 1.01 0.95 -1.28 121.20 123.88 1k50 s ILE 11 Ca 0.25 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1k50 s ILE 11 Cb -0.15 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1k50 s ILE 11 CO 0.11 0.38 0.72 -0.36 0.00 0.00 0.00 174.94 175.79 1k50 s PHE 12 N 1.36 3.52 0.42 3.97 0.08 0.49 -0.59 117.98 127.23 1k50 s PHE 12 Ca 0.02 0.78 0.23 0.00 0.12 0.00 0.00 56.93 58.08 1k50 s PHE 12 Cb -0.14 -2.25 1.23 0.00 -0.57 0.00 0.00 43.02 41.28 1k50 s PHE 12 CO -0.11 -0.13 1.74 0.00 -0.10 0.00 0.00 175.22 176.62 1k50 h ALA 13 N 0.70 2.44 -0.25 5.36 0.00 -1.80 0.49 119.26 126.20 1k50 h ALA 13 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1k50 h ALA 13 Cb 1.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1k50 h ALA 13 CO 0.63 -0.89 0.00 0.27 0.00 0.00 0.00 179.25 179.25 1k50 n ASN 14 N -4.60 2.98 0.00 0.00 6.94 -1.26 -4.88 115.26 114.44 1k50 n ASN 14 Ca 0.28 -2.38 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 1k50 n ASN 14 Cb 1.05 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 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 0.30 2.82 3.70 4.83 0.00 0.17 -4.99 105.19 112.02 1k50 n GLY 15 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1k50 n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k50 n SER 16 N 0.42 1.25 -4.20 1.61 3.41 -1.25 -4.62 113.62 110.23 1k50 n SER 16 Ca 0.00 0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 59.13 1k50 n SER 16 Cb 0.00 -1.52 -0.10 0.00 -0.26 0.00 0.00 64.21 62.33 1k50 n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1k50 s THR 17 N -1.93 0.94 -0.17 6.66 -4.23 -1.26 -0.38 115.64 115.27 1k50 s THR 17 Ca 0.76 -1.88 -0.22 0.00 -1.18 0.00 0.00 61.69 59.17 1k50 s THR 17 Cb -0.32 -1.63 0.06 0.00 1.34 0.00 0.00 72.50 71.96 1k50 s THR 17 CO 0.48 -0.72 0.58 -1.58 -0.54 0.00 0.00 174.62 172.84 1k50 s GLN 18 N -3.44 0.76 0.04 3.99 0.74 -0.40 -5.01 119.66 116.33 1k50 s GLN 18 Ca 0.11 0.61 0.08 0.00 0.05 0.00 0.00 55.36 56.22 1k50 s GLN 18 Cb 0.01 0.36 -0.03 0.00 1.10 0.00 0.00 33.01 34.46 1k50 s GLN 18 CO -0.01 -0.14 -0.22 0.99 -0.55 0.00 0.00 175.29 175.36 1k50 s THR 19 N -0.13 2.48 -0.07 -0.34 2.01 -1.26 0.20 115.64 118.54 1k50 s THR 19 Ca -0.03 -1.26 -0.05 0.00 0.31 0.00 0.00 61.69 60.65 1k50 s THR 19 Cb -0.03 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.49 1k50 s THR 19 CO 0.03 0.37 0.17 0.00 -0.69 0.00 0.00 174.62 174.50 1k50 s ALA 20 N -0.85 -0.40 -0.03 7.40 0.00 -0.02 -5.00 121.76 122.85 1k50 s ALA 20 Ca 0.13 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1k50 s ALA 20 Cb -0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1k50 s ALA 20 CO 0.03 -0.10 -0.07 -1.21 0.00 0.00 0.00 175.76 174.42 1k50 s GLU 21 N 0.31 2.63 -0.04 0.00 2.02 -1.26 -0.13 118.70 122.23 1k50 s GLU 21 Ca -0.02 -0.65 0.06 0.00 0.02 0.00 0.00 54.97 54.39 1k50 s GLU 21 Cb -0.03 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.65 1k50 s GLU 21 CO -0.01 0.63 -0.24 -0.06 0.02 0.00 0.00 175.26 175.60 1k50 s PHE 22 N -0.91 2.24 -0.09 1.61 0.40 -0.09 -4.96 117.98 116.18 1k50 s PHE 22 Ca 0.15 -0.57 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 1k50 s PHE 22 Cb -0.11 -1.46 0.00 0.00 0.51 0.00 0.00 43.02 41.96 1k50 s PHE 22 CO 0.05 -0.14 -0.22 0.15 0.70 0.00 0.00 175.22 175.76 1k50 s LYS 23 N -0.30 2.76 0.00 0.44 1.02 -1.26 -0.49 119.74 121.91 1k50 s LYS 23 Ca 0.02 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1k50 s LYS 23 Cb -0.12 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1k50 s LYS 23 CO 0.02 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1k50 n GLY 24 N 3.55 -0.51 3.76 -3.33 0.00 -0.72 -4.81 105.19 103.13 1k50 n GLY 24 Ca -0.20 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.33 3.20 0.20 2.61 -4.23 -1.26 0.10 115.64 112.93 1k50 s THR 25 Ca 0.00 0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 1k50 s THR 25 Cb 0.00 -2.83 0.15 0.00 1.34 0.00 0.00 72.50 71.16 1k50 s THR 25 CO 0.00 -0.51 1.70 0.15 -0.54 0.00 0.00 174.62 175.42 1k50 h PHE 26 N -1.21 0.13 -0.15 3.99 3.57 -1.92 0.39 116.94 121.74 1k50 h PHE 26 Ca -0.43 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 1k50 h PHE 26 Cb 1.23 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.00 1k50 h PHE 26 CO 0.57 -0.05 -0.03 1.49 -2.23 0.00 0.00 178.31 178.06 1k50 h GLU 27 N 0.21 0.28 -0.27 1.11 4.81 -1.97 -1.74 114.58 117.01 1k50 h GLU 27 Ca 0.29 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1k50 h GLU 27 Cb 0.43 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1k50 h GLU 27 CO -0.40 0.56 0.03 -0.22 -0.73 0.00 0.00 179.01 178.25 1k50 h LYS 28 N -0.01 0.46 -0.29 1.92 3.64 -1.82 0.45 116.57 120.93 1k50 h LYS 28 Ca 0.04 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1k50 h LYS 28 Cb 0.45 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1k50 h LYS 28 CO 0.01 0.59 0.11 0.00 -2.27 0.00 0.00 179.45 177.90 1k50 h ALA 29 N 0.85 0.37 -0.54 5.00 0.00 -1.01 -0.26 119.26 123.68 1k50 h ALA 29 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k50 h ALA 29 Cb 0.36 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1k50 h ALA 29 CO 0.01 -0.03 0.35 1.15 0.00 0.00 0.00 179.25 180.73 1k50 h THR 30 N 0.31 1.15 -0.90 0.00 2.02 -1.23 -2.10 112.91 112.17 1k50 h THR 30 Ca 0.10 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1k50 h THR 30 Cb 0.18 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1k50 h THR 30 CO -0.01 0.15 0.55 0.28 0.37 0.00 0.00 175.52 176.86 1k50 h SER 31 N 0.73 1.06 -0.81 4.18 0.02 -0.62 -1.16 113.55 116.95 1k50 h SER 31 Ca 0.20 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1k50 h SER 31 Cb -0.06 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.18 1k50 h SER 31 CO -0.04 0.80 0.33 -0.33 -1.14 0.00 0.00 176.83 176.46 1k50 h GLU 32 N 1.23 1.21 -0.45 3.45 5.08 -0.57 0.15 114.58 124.67 1k50 h GLU 32 Ca 0.32 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1k50 h GLU 32 Cb -0.08 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1k50 h GLU 32 CO -0.06 0.97 0.24 0.00 -1.00 0.00 0.00 179.01 179.16 1k50 h ALA 33 N 1.18 0.58 -0.09 3.43 0.00 -0.74 -1.55 119.26 122.08 1k50 h ALA 33 Ca 0.27 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1k50 h ALA 33 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1k50 h ALA 33 CO -0.02 0.12 -0.03 1.88 0.00 0.00 0.00 179.25 181.20 1k50 h TYR 34 N 0.60 -0.06 -0.49 0.00 0.05 -0.58 -1.32 116.97 115.16 1k50 h TYR 34 Ca 0.16 0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.01 1k50 h TYR 34 Cb 0.07 0.04 -0.05 0.00 1.01 0.00 0.00 36.73 37.80 1k50 h TYR 34 CO -0.02 -0.05 0.20 0.00 -1.05 0.00 0.00 178.16 177.24 1k50 h ALA 35 N 1.08 0.61 -0.03 3.88 0.00 -0.79 -0.07 119.26 123.95 1k50 h ALA 35 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1k50 h ALA 35 Cb 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1k50 h ALA 35 CO -0.10 -0.19 0.02 -0.92 0.00 0.00 0.00 179.25 178.06 1k50 h TYR 36 N 0.39 0.03 -0.83 0.00 3.20 -1.02 -1.82 116.97 116.91 1k50 h TYR 36 Ca 0.23 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.18 1k50 h TYR 36 Cb 0.22 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.42 1k50 h TYR 36 CO -0.15 0.02 0.54 0.00 -1.64 0.00 0.00 178.16 176.93 1k50 h ALA 37 N 1.01 1.66 -0.41 1.82 0.00 -0.70 -0.92 119.26 121.72 1k50 h ALA 37 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1k50 h ALA 37 Cb -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1k50 h ALA 37 CO -0.00 0.19 -0.07 -0.44 0.00 0.00 0.00 179.25 178.92 1k50 h ASP 38 N 0.85 0.68 0.45 0.00 3.32 -0.44 -1.82 116.42 119.45 1k50 h ASP 38 Ca 0.37 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1k50 h ASP 38 Cb 0.33 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1k50 h ASP 38 CO -0.14 0.79 -0.02 0.71 -1.72 0.00 0.00 179.24 178.86 1k50 h THR 39 N 0.64 0.11 0.00 0.35 1.35 -0.35 -2.39 112.91 112.62 1k50 h THR 39 Ca 0.12 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1k50 h THR 39 Cb 0.51 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1k50 h THR 39 CO 0.03 0.02 -0.36 0.18 -0.25 0.00 0.00 175.52 175.14 1k50 n LEU 40 N -3.19 0.38 -0.24 3.87 4.77 -0.70 -4.27 117.00 117.63 1k50 n LEU 40 Ca -0.01 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 1k50 n LEU 40 Cb 0.19 -0.32 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1k50 n LEU 40 CO 0.25 0.07 1.06 0.11 -1.33 0.00 0.00 177.39 177.55 1k50 h LYS 41 N 0.00 0.93 -0.89 3.23 1.57 -1.29 -1.86 116.57 118.26 1k50 h LYS 41 Ca 0.00 -0.12 0.19 0.00 -1.87 0.00 0.00 60.65 58.85 1k50 h LYS 41 Cb 0.53 -0.18 -0.17 0.00 0.08 0.00 0.00 32.23 32.49 1k50 h LYS 41 CO 0.00 0.72 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.21 1k50 h LYS 42 N 0.90 0.01 -0.58 3.15 3.64 -1.78 0.90 116.57 122.82 1k50 h LYS 42 Ca 0.23 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1k50 h LYS 42 Cb 0.08 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1k50 h LYS 42 CO -0.03 0.01 0.00 -0.25 -2.27 0.00 0.00 179.45 176.90 1k50 n ASP 43 N -5.54 4.01 0.00 4.20 8.00 -1.15 -4.57 116.55 121.50 1k50 n ASP 43 Ca 0.15 -2.23 0.00 0.00 0.71 0.00 0.00 54.79 53.41 1k50 n ASP 43 Cb 0.49 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.05 0.00 0.00 -2.24 3.02 0.07 -4.98 115.26 112.18 1k50 n ASN 44 Ca 0.22 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1k50 n ASN 44 Cb 0.69 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 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 0.00 -2.70 3.73 7.41 0.00 0.29 -1.14 105.19 112.79 1k50 n GLY 45 Ca 0.00 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.69 2.37 0.23 1.61 0.41 -1.26 -4.35 118.70 117.02 1k50 s GLU 46 Ca 0.00 1.82 0.12 0.00 -0.41 0.00 0.00 54.97 56.49 1k50 s GLU 46 Cb 0.00 -1.85 -0.05 0.00 -1.78 0.00 0.00 34.13 30.45 1k50 s GLU 46 CO 0.00 -1.67 -0.22 1.67 -0.49 0.00 0.00 175.26 174.55 1k50 s TRP 47 N -1.82 2.29 0.12 1.61 1.48 -1.26 -1.55 118.94 119.80 1k50 s TRP 47 Ca 0.76 -0.35 0.07 0.00 -1.06 0.00 0.00 56.10 55.52 1k50 s TRP 47 Cb -0.31 -1.07 -0.04 0.00 -1.16 0.00 0.00 33.47 30.90 1k50 s TRP 47 CO 0.42 0.60 -0.16 0.95 -4.06 0.00 0.00 176.95 174.70 1k50 s THR 48 N -2.06 1.43 0.03 0.66 -4.23 -0.43 -4.95 115.64 106.09 1k50 s THR 48 Ca 0.25 -1.64 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1k50 s THR 48 Cb -0.07 -1.49 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 1k50 s THR 48 CO 0.12 -0.30 -0.19 0.00 -0.54 0.00 0.00 174.62 173.71 1k50 s ALA 49 N -1.78 1.58 0.02 3.99 0.00 -1.26 -0.88 121.76 123.44 1k50 s ALA 49 Ca 0.07 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1k50 s ALA 49 Cb -0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1k50 s ALA 49 CO 0.04 0.35 -0.18 0.34 0.00 0.00 0.00 175.76 176.31 1k50 s ASP 50 N -1.02 3.78 -0.15 0.00 2.15 -0.34 -4.95 116.67 116.14 1k50 s ASP 50 Ca 0.06 -0.39 -0.03 0.00 0.43 0.00 0.00 52.55 52.62 1k50 s ASP 50 Cb -0.08 -0.63 -0.02 0.00 -0.30 0.00 0.00 42.92 41.89 1k50 s ASP 50 CO 0.01 0.27 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.54 1k50 s VAL 51 N -0.87 3.73 0.35 1.11 1.01 -1.26 -0.84 120.40 123.62 1k50 s VAL 51 Ca 0.14 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1k50 s VAL 51 Cb -0.10 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1k50 s VAL 51 CO 0.04 0.50 0.11 0.00 0.00 0.00 0.00 175.10 175.75 1k50 s ALA 52 N 0.37 2.43 -1.47 5.51 0.00 0.29 -4.85 121.76 124.03 1k50 s ALA 52 Ca -0.05 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.22 1k50 s ALA 52 Cb -0.15 0.84 0.03 0.00 0.00 0.00 0.00 23.12 23.85 1k50 s ALA 52 CO 0.03 -0.38 0.46 -3.47 0.00 0.00 0.00 175.76 172.41 1k50 n ASP 53 N -0.95 -0.83 -2.11 0.00 2.03 -1.26 -1.30 116.55 112.13 1k50 n ASP 53 Ca -0.03 -1.02 -0.17 0.00 0.52 0.00 0.00 54.79 54.09 1k50 n ASP 53 Cb 0.66 -2.90 -0.03 0.00 -0.72 0.00 0.00 41.12 38.13 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 -4.42 -1.76 0.00 -0.67 5.02 -1.26 -1.68 118.16 113.39 1k50 n LYS 54 Ca -0.24 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1k50 n LYS 54 Cb 0.65 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.27 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 -0.71 0.71 0.51 0.72 0.00 -0.42 -4.97 105.19 101.03 1k50 n GLY 55 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.09 0.00 -4.59 1.61 4.02 -0.68 -4.81 117.16 111.63 1k50 n TYR 56 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 1k50 n TYR 56 Cb 0.00 -0.03 -0.17 0.00 -0.02 0.00 0.00 39.34 39.12 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 -2.32 1.13 -0.15 -0.72 2.01 -0.74 0.02 115.64 114.87 1k50 s THR 57 Ca 0.25 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.79 1k50 s THR 57 Cb 0.19 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.68 1k50 s THR 57 CO 0.47 0.35 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.79 1k50 s LEU 58 N 0.64 2.19 -0.48 4.42 1.43 0.53 -0.55 118.68 126.86 1k50 s LEU 58 Ca -0.14 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 1k50 s LEU 58 Cb -0.16 -1.48 0.11 0.00 0.03 0.00 0.00 46.19 44.69 1k50 s LEU 58 CO 0.04 0.06 0.38 0.20 0.23 0.00 0.00 176.35 177.26 1k50 s ASN 59 N 0.93 5.90 -0.26 2.29 0.01 -0.02 -0.32 114.94 123.47 1k50 s ASN 59 Ca -0.04 -1.71 -0.13 0.00 -0.71 0.00 0.00 52.86 50.27 1k50 s ASN 59 Cb -0.15 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1k50 s ASN 59 CO -0.04 -0.70 0.30 -0.63 -1.51 0.00 0.00 177.10 174.52 1k50 s ILE 60 N 1.49 5.24 -0.17 0.60 1.01 0.50 -1.19 121.20 128.67 1k50 s ILE 60 Ca 0.04 0.43 -0.01 0.00 0.00 0.00 0.00 60.65 61.11 1k50 s ILE 60 Cb -0.26 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 1k50 s ILE 60 CO 0.02 0.22 -0.12 -0.75 0.00 0.00 0.00 174.94 174.31 1k50 s LYS 61 N 1.74 3.28 -0.13 2.79 2.47 -0.06 -0.03 119.74 129.81 1k50 s LYS 61 Ca 0.12 -0.70 -0.16 0.00 -1.56 0.00 0.00 55.97 53.67 1k50 s LYS 61 Cb -0.15 -2.75 -0.04 0.00 -1.46 0.00 0.00 37.83 33.43 1k50 s LYS 61 CO 0.09 -0.03 0.41 -0.06 0.16 0.00 0.00 175.35 175.91 1k50 s PHE 62 N 0.98 3.50 -0.07 4.03 0.40 0.24 -1.32 117.98 125.74 1k50 s PHE 62 Ca -0.02 0.79 0.20 0.00 -0.60 0.00 0.00 56.93 57.30 1k50 s PHE 62 Cb -0.15 -2.46 0.48 0.00 0.51 0.00 0.00 43.02 41.40 1k50 s PHE 62 CO -0.02 0.22 1.64 0.00 0.70 0.00 0.00 175.22 177.76 1k50 h ALA 63 N 6.61 0.87 0.00 5.36 0.00 -1.41 -3.26 119.26 127.42 1k50 h ALA 63 Ca -0.42 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1k50 h ALA 63 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1k50 h ALA 63 CO 0.75 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.79