#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 h SER 2 N 0.00 0.00 -5.44 2.55 4.64 -2.04 -3.46 113.55 109.80 1k73 h SER 2 Ca 0.00 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 1k73 h SER 2 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1k73 h SER 2 CO 0.00 0.03 -0.38 -0.94 -0.87 0.00 0.00 176.83 174.67 1k73 s SER 3 N -4.60 0.10 -0.17 4.97 1.04 -1.26 -5.09 113.70 108.69 1k73 s SER 3 Ca 0.09 -1.20 0.18 0.00 0.48 0.00 0.00 55.95 55.50 1k73 s SER 3 Cb 0.12 0.48 0.45 0.00 0.10 0.00 0.00 66.02 67.17 1k73 s SER 3 CO 0.64 -0.99 1.18 -3.20 0.98 0.00 0.00 173.24 171.84 1k73 n ASN 4 N -0.38 2.06 -4.83 7.02 5.15 -1.26 -4.96 115.26 118.06 1k73 n ASN 4 Ca 0.01 -2.88 -0.30 0.00 -0.60 0.00 0.00 54.58 50.81 1k73 n ASN 4 Cb 0.64 -0.41 0.09 0.00 -0.53 0.00 0.00 39.78 39.57 1k73 n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1k73 s GLY 5 N -3.04 1.61 0.48 8.20 0.00 -1.26 -4.95 107.32 108.36 1k73 s GLY 5 Ca 0.37 -0.35 0.15 0.00 0.00 0.00 0.00 44.72 44.89 1k73 s GLY 5 CO -0.07 0.09 2.06 -2.55 0.00 0.00 0.00 173.10 172.63 1k73 h PRO 6 N -1.04 0.21 -0.55 2.90 0.11 -2.05 -2.46 132.00 129.13 1k73 h PRO 6 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1k73 h PRO 6 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1k73 h PRO 6 CO 0.62 0.14 0.00 1.28 -0.21 0.00 0.00 178.00 179.83 1k73 n LEU 7 N -4.48 2.97 -4.69 2.35 4.77 -1.26 -4.63 117.00 112.03 1k73 n LEU 7 Ca 0.04 -1.49 -0.42 0.00 -0.03 0.00 0.00 56.01 54.10 1k73 n LEU 7 Cb 0.24 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1k73 n LEU 7 CO 0.35 0.61 1.33 -0.70 -1.33 0.00 0.00 177.39 177.65 1k73 s GLU 8 N -1.54 4.19 -1.17 3.23 -6.30 -0.93 -2.34 118.70 113.84 1k73 s GLU 8 Ca 0.33 2.36 0.00 0.00 -2.50 0.00 0.00 54.97 55.17 1k73 s GLU 8 Cb 0.19 -3.54 0.00 0.00 0.00 0.00 0.00 34.13 30.78 1k73 s GLU 8 CO 0.19 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1k73 n GLY 9 N 3.99 -0.13 0.67 -1.50 0.00 -1.26 -4.91 105.19 102.05 1k73 n GLY 9 Ca 0.16 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1k73 n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k73 n THR 10 N -3.96 1.08 -0.22 2.61 -2.24 -0.99 -4.68 114.28 105.88 1k73 n THR 10 Ca -0.16 -1.05 0.01 0.00 -2.27 0.00 0.00 64.05 60.58 1k73 n THR 10 Cb 0.62 0.46 0.10 0.00 -2.10 0.00 0.00 70.33 69.40 1k73 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1k73 h ARG 11 N 2.06 0.06 0.29 -0.78 2.43 -1.91 -1.95 114.38 114.58 1k73 h ARG 11 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1k73 h ARG 11 Cb 0.78 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1k73 h ARG 11 CO 0.01 0.04 -0.14 0.78 -1.51 0.00 0.00 179.97 179.15 1k73 h GLY 12 N 0.06 -0.41 1.45 2.80 0.00 -1.94 -3.27 103.07 101.75 1k73 h GLY 12 Ca 0.33 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.84 1k73 h GLY 12 CO -0.62 -0.15 0.25 0.07 0.00 0.00 0.00 176.54 176.10 1k73 h LYS 13 N -0.94 0.00 -0.41 4.80 2.10 -1.88 -1.46 116.57 118.78 1k73 h LYS 13 Ca -0.04 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.50 1k73 h LYS 13 Cb 0.30 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.57 1k73 h LYS 13 CO 0.07 0.00 0.05 1.28 -2.00 0.00 0.00 179.45 178.85 1k73 n LEU 14 N -3.19 4.51 -4.27 7.07 4.77 -0.74 -4.85 117.00 120.31 1k73 n LEU 14 Ca -0.01 -3.29 -0.29 0.00 -0.03 0.00 0.00 56.01 52.40 1k73 n LEU 14 Cb 0.33 -0.62 -0.16 0.00 -2.33 0.00 0.00 43.42 40.65 1k73 n LEU 14 CO 0.19 0.87 -0.55 -0.75 -1.33 0.00 0.00 177.39 175.82 1k73 s LYS 15 N -2.99 1.85 0.30 3.23 2.20 -0.55 -4.71 119.74 119.06 1k73 s LYS 15 Ca 0.46 -0.86 -0.08 0.00 -0.36 0.00 0.00 55.97 55.12 1k73 s LYS 15 Cb 0.38 -1.82 -0.06 0.00 -1.51 0.00 0.00 37.83 34.82 1k73 s LYS 15 CO 0.07 0.49 0.62 -0.80 -0.36 0.00 0.00 175.35 175.38 1k73 s ASN 16 N -0.65 6.54 0.35 1.43 0.02 -1.26 -4.93 114.94 116.45 1k73 s ASN 16 Ca 0.09 0.92 -0.26 0.00 -1.02 0.00 0.00 52.86 52.59 1k73 s ASN 16 Cb -0.09 -2.23 -0.09 0.00 0.02 0.00 0.00 41.25 38.86 1k73 s ASN 16 CO -0.00 -0.21 1.09 -0.54 0.02 0.00 0.00 177.10 177.45 1k73 s LYS 17 N -3.37 4.32 0.35 -0.60 3.01 -1.26 -4.87 119.74 117.32 1k73 s LYS 17 Ca 0.47 1.68 0.25 0.00 -1.01 0.00 0.00 55.97 57.37 1k73 s LYS 17 Cb -0.11 -2.81 1.21 0.00 -1.01 0.00 0.00 37.83 35.11 1k73 s LYS 17 CO 0.27 -0.04 1.28 -2.30 0.51 0.00 0.00 175.35 175.07 1k73 n PRO 18 N 0.42 -0.03 0.16 -1.68 -0.02 -1.26 -0.29 135.00 132.30 1k73 n PRO 18 Ca 0.03 1.04 0.12 0.00 -2.02 0.00 0.00 63.50 62.67 1k73 n PRO 18 Cb 0.47 -2.03 0.21 0.00 -0.02 0.00 0.00 33.50 32.14 1k73 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k73 h ARG 19 N 0.00 0.00 -0.45 -0.52 3.08 -2.05 -3.11 114.38 111.33 1k73 h ARG 19 Ca 0.72 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.77 1k73 h ARG 19 Cb 2.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.31 1k73 h ARG 19 CO -0.42 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.23 1k73 n ASP 20 N -2.72 3.05 -4.73 7.04 8.00 0.60 -4.93 116.55 122.85 1k73 n ASP 20 Ca 0.04 -1.95 -0.36 0.00 0.71 0.00 0.00 54.79 53.23 1k73 n ASP 20 Cb 0.50 -0.29 0.07 0.00 -0.02 0.00 0.00 41.12 41.37 1k73 n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1k73 s ARG 21 N -1.41 2.49 0.00 -1.24 3.00 -1.16 -4.89 118.95 115.74 1k73 s ARG 21 Ca 0.38 1.92 0.00 0.00 -1.00 0.00 0.00 55.73 57.04 1k73 s ARG 21 Cb 0.21 -1.86 0.00 0.00 0.00 0.00 0.00 34.95 33.30 1k73 s ARG 21 CO 0.29 -1.60 0.00 0.41 0.00 0.00 0.00 175.30 174.39 1k73 n GLY 22 N 0.67 0.65 2.91 8.12 0.00 -1.26 -4.98 105.19 111.30 1k73 n GLY 22 Ca 0.15 -1.74 -0.48 0.00 0.00 0.00 0.00 46.02 43.94 1k73 n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k73 n THR 23 N 0.71 0.20 -2.38 2.61 -1.04 -1.26 -4.87 114.28 108.25 1k73 n THR 23 Ca 0.00 -0.05 -0.28 0.00 -2.04 0.00 0.00 64.05 61.68 1k73 n THR 23 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1k73 n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1k73 s SER 24 N -0.10 6.09 0.23 8.00 0.01 -1.26 -5.01 113.70 121.65 1k73 s SER 24 Ca 0.73 1.01 -0.30 0.00 1.31 0.00 0.00 55.95 58.70 1k73 s SER 24 Cb -1.03 -2.18 -0.10 0.00 0.21 0.00 0.00 66.02 62.93 1k73 s SER 24 CO 0.47 -0.78 1.46 -2.84 0.41 0.00 0.00 173.24 171.96 1k73 s PRO 25 N -4.92 4.26 0.44 12.44 0.02 -1.26 -4.94 135.00 141.05 1k73 s PRO 25 Ca 0.51 2.30 0.17 0.00 0.02 0.00 0.00 61.00 64.00 1k73 s PRO 25 Cb -0.11 -3.12 1.02 0.00 0.02 0.00 0.00 34.50 32.31 1k73 s PRO 25 CO 0.47 -0.45 1.96 -1.35 -0.33 0.00 0.00 177.00 177.30 1k73 h PRO 26 N 5.36 0.00 -0.88 5.54 0.11 -2.00 -3.31 132.00 136.82 1k73 h PRO 26 Ca -0.45 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.82 1k73 h PRO 26 Cb 1.22 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.17 1k73 h PRO 26 CO 0.80 0.22 -0.30 0.37 -0.21 0.00 0.00 178.00 178.89 1k73 h GLN 27 N 0.00 -0.03 0.00 1.05 5.75 -2.00 -0.07 115.11 119.82 1k73 h GLN 27 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1k73 h GLN 27 Cb 0.43 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.99 1k73 h GLN 27 CO 0.03 -0.02 0.00 2.89 -2.65 0.00 0.00 178.83 179.08 1k73 n ARG 28 N -5.52 0.15 0.00 1.69 1.85 -1.24 -2.61 116.66 110.98 1k73 n ARG 28 Ca 0.11 0.21 0.13 0.00 -1.00 0.00 0.00 57.85 57.30 1k73 n ARG 28 Cb 0.42 -1.71 0.41 0.00 -1.05 0.00 0.00 32.46 30.53 1k73 n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k73 n ALA 29 N -1.68 3.00 0.33 2.89 0.00 -0.06 -3.37 120.51 121.62 1k73 n ALA 29 Ca 0.05 -0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.29 1k73 n ALA 29 Cb 0.34 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.54 1k73 n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k73 n VAL 30 N -1.51 0.00 -1.56 0.00 0.31 -1.04 -4.33 118.33 110.20 1k73 n VAL 30 Ca 0.06 -0.48 -0.41 0.00 -0.01 0.00 0.00 64.34 63.51 1k73 n VAL 30 Cb 0.34 1.14 0.02 0.00 -0.91 0.00 0.00 33.84 34.43 1k73 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1k73 n GLU 31 N 0.24 1.02 -4.83 5.55 4.07 -1.14 -4.98 120.64 120.57 1k73 n GLU 31 Ca 0.04 0.37 -0.33 0.00 -0.06 0.00 0.00 57.16 57.19 1k73 n GLU 31 Cb 0.19 -1.89 -0.14 0.00 -0.06 0.00 0.00 31.44 29.54 1k73 n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1k73 s GLU 32 N -2.00 2.99 0.20 5.31 0.41 -1.26 -4.82 118.70 119.53 1k73 s GLU 32 Ca 0.65 -0.69 0.11 0.00 -0.41 0.00 0.00 54.97 54.63 1k73 s GLU 32 Cb -0.55 -2.52 -0.04 0.00 -1.78 0.00 0.00 34.13 29.24 1k73 s GLU 32 CO 0.56 0.40 -0.23 -0.06 -0.49 0.00 0.00 175.26 175.44 1k73 s PHE 33 N -0.14 2.33 0.13 1.61 0.40 -1.26 -5.14 117.98 115.91 1k73 s PHE 33 Ca -0.01 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1k73 s PHE 33 Cb -0.14 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.21 1k73 s PHE 33 CO 0.03 0.51 0.11 -0.51 0.70 0.00 0.00 175.22 176.07 1k73 s ASP 34 N -2.73 5.53 0.22 1.36 1.01 -1.26 -5.05 116.67 115.76 1k73 s ASP 34 Ca 0.22 -0.07 -0.32 0.00 0.71 0.00 0.00 52.55 53.09 1k73 s ASP 34 Cb -0.08 -1.47 -0.12 0.00 1.01 0.00 0.00 42.92 42.26 1k73 s ASP 34 CO 0.10 0.12 1.65 0.47 0.21 0.00 0.00 175.17 177.72 1k73 n ASP 35 N 0.02 3.76 0.00 0.27 8.00 -1.26 -1.63 116.55 125.70 1k73 n ASP 35 Ca -0.08 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.51 1k73 n ASP 35 Cb 0.53 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1k73 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k73 n GLY 36 N 3.34 3.11 3.77 0.44 0.00 0.16 -4.98 105.19 111.02 1k73 n GLY 36 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1k73 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k73 s GLU 37 N -0.69 3.70 -0.15 1.61 2.02 -0.65 -4.70 118.70 119.84 1k73 s GLU 37 Ca 0.00 1.72 -0.18 0.00 0.02 0.00 0.00 54.97 56.53 1k73 s GLU 37 Cb 0.00 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 1k73 s GLU 37 CO 0.00 -0.58 0.48 0.15 0.02 0.00 0.00 175.26 175.33 1k73 s LYS 38 N -2.81 4.28 0.02 1.61 -0.14 -1.26 -1.00 119.74 120.44 1k73 s LYS 38 Ca 0.65 0.42 0.05 0.00 -1.36 0.00 0.00 55.97 55.73 1k73 s LYS 38 Cb -0.27 -3.48 -0.02 0.00 -1.68 0.00 0.00 37.83 32.38 1k73 s LYS 38 CO 0.32 0.05 -0.14 0.14 -0.76 0.00 0.00 175.35 174.96 1k73 s VAL 39 N 0.98 1.13 -0.00 3.17 -7.23 -0.63 -1.38 120.40 116.43 1k73 s VAL 39 Ca 0.25 -0.82 -0.18 0.00 -1.81 0.00 0.00 61.98 59.42 1k73 s VAL 39 Cb -0.15 -0.98 -0.06 0.00 0.56 0.00 0.00 36.38 35.75 1k73 s VAL 39 CO 0.10 0.15 0.51 -1.00 -0.31 0.00 0.00 175.10 174.55 1k73 s HIS 40 N -0.60 3.70 -0.20 2.82 3.76 0.26 -1.15 115.29 123.87 1k73 s HIS 40 Ca 0.04 1.10 -0.12 0.00 -0.15 0.00 0.00 55.06 55.92 1k73 s HIS 40 Cb -0.07 -2.47 -0.05 0.00 1.11 0.00 0.00 32.58 31.10 1k73 s HIS 40 CO 0.00 0.47 0.24 -0.51 -0.85 0.00 0.00 174.74 174.09 1k73 s LEU 41 N -0.54 4.18 -0.30 0.89 1.02 0.24 -2.31 118.68 121.87 1k73 s LEU 41 Ca 0.27 0.34 -0.03 0.00 0.02 0.00 0.00 54.13 54.74 1k73 s LEU 41 Cb -0.18 -2.26 0.18 0.00 0.02 0.00 0.00 46.19 43.95 1k73 s LEU 41 CO 0.15 0.07 0.62 -0.75 0.02 0.00 0.00 176.35 176.47 1k73 s LYS 42 N 0.76 0.56 0.36 1.70 2.47 -0.81 -0.71 119.74 124.08 1k73 s LYS 42 Ca 0.13 1.05 -0.28 0.00 -1.56 0.00 0.00 55.97 55.30 1k73 s LYS 42 Cb -0.13 0.59 -0.11 0.00 -1.46 0.00 0.00 37.83 36.72 1k73 s LYS 42 CO 0.03 -0.55 1.48 0.42 0.16 0.00 0.00 175.35 176.90 1k73 s ILE 43 N 2.87 2.13 -0.37 5.43 1.01 -1.26 -4.53 121.20 126.48 1k73 s ILE 43 Ca 0.17 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 1k73 s ILE 43 Cb -0.14 -3.08 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 1k73 s ILE 43 CO -0.20 0.03 0.35 -0.62 0.00 0.00 0.00 174.94 174.49 1k73 s ASP 44 N -0.08 6.15 0.49 3.58 -1.08 -1.26 -4.94 116.67 119.53 1k73 s ASP 44 Ca 0.54 -0.44 0.30 0.00 -0.52 0.00 0.00 52.55 52.43 1k73 s ASP 44 Cb -0.46 -2.19 1.39 0.00 -1.46 0.00 0.00 42.92 40.21 1k73 s ASP 44 CO 0.60 -0.38 1.80 -0.65 0.52 0.00 0.00 175.17 177.06 1k73 h PRO 45 N 8.54 0.13 0.00 4.34 0.11 -1.88 -1.05 132.00 142.18 1k73 h PRO 45 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1k73 h PRO 45 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1k73 h PRO 45 CO 0.71 0.08 0.00 0.77 -0.21 0.00 0.00 178.00 179.35 1k73 h SER 46 N 0.13 0.00 -3.49 -2.05 0.02 -1.92 -3.43 113.55 102.81 1k73 h SER 46 Ca 0.56 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.79 1k73 h SER 46 Cb 1.93 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 64.21 1k73 h SER 46 CO -0.11 0.00 -0.47 -0.69 -1.14 0.00 0.00 176.83 174.42 1k73 s VAL 47 N -3.20 4.45 0.11 2.27 1.01 -0.40 -4.78 120.40 119.85 1k73 s VAL 47 Ca 0.08 -1.15 -0.23 0.00 0.00 0.00 0.00 61.98 60.68 1k73 s VAL 47 Cb 0.08 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 1k73 s VAL 47 CO 0.63 -0.40 1.71 -0.65 0.00 0.00 0.00 175.10 176.38 1k73 h PRO 48 N 8.45 -0.09 -7.39 2.72 0.11 -1.83 -3.43 132.00 130.53 1k73 h PRO 48 Ca -0.24 0.01 -0.46 0.00 0.11 0.00 0.00 66.00 65.42 1k73 h PRO 48 Cb 1.09 0.02 0.10 0.00 0.11 0.00 0.00 31.00 32.33 1k73 h PRO 48 CO 0.73 -0.06 0.25 -0.80 -0.21 0.00 0.00 178.00 177.91 1k73 s ASN 49 N -5.12 4.21 -0.57 -2.05 0.01 -1.26 -4.39 114.94 105.77 1k73 s ASN 49 Ca -0.14 0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 1k73 s ASN 49 Cb 0.08 -0.58 0.00 0.00 0.41 0.00 0.00 41.25 41.16 1k73 s ASN 49 CO 0.67 -1.99 0.00 0.61 -1.51 0.00 0.00 177.10 174.88 1k73 n GLY 50 N -3.13 0.63 3.78 0.66 0.00 -1.26 -4.89 105.19 100.98 1k73 n GLY 50 Ca 0.12 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1k73 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k73 s ARG 51 N -2.11 0.58 0.26 1.61 0.52 -1.26 -2.22 118.95 116.33 1k73 s ARG 51 Ca 0.00 0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.30 1k73 s ARG 51 Cb 0.00 -1.79 -0.05 0.00 0.52 0.00 0.00 34.95 33.63 1k73 s ARG 51 CO 0.00 -2.54 0.12 -0.59 0.02 0.00 0.00 175.30 172.31 1k73 s PHE 52 N -3.35 1.47 0.04 -0.53 -0.12 -1.26 -4.73 117.98 109.50 1k73 s PHE 52 Ca 0.67 -1.27 -0.30 0.00 -0.05 0.00 0.00 56.93 55.98 1k73 s PHE 52 Cb -0.12 -0.82 -0.08 0.00 -0.63 0.00 0.00 43.02 41.38 1k73 s PHE 52 CO 0.54 -0.44 1.75 -1.58 -0.05 0.00 0.00 175.22 175.44 1k73 s HIS 53 N -3.81 2.01 0.60 3.49 5.65 -1.26 -4.83 115.29 117.15 1k73 s HIS 53 Ca 0.38 0.05 0.30 0.00 0.25 0.00 0.00 55.06 56.04 1k73 s HIS 53 Cb 0.07 -4.05 1.02 0.00 -1.18 0.00 0.00 32.58 28.44 1k73 s HIS 53 CO 0.14 -4.42 1.33 -1.35 -0.65 0.00 0.00 174.74 169.79 1k73 h PRO 54 N 9.18 0.00 0.00 2.88 0.11 -2.00 0.16 132.00 142.34 1k73 h PRO 54 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1k73 h PRO 54 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1k73 h PRO 54 CO 0.94 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.66 1k73 h ARG 55 N 0.00 0.00 -0.18 1.05 3.08 -1.88 -2.21 114.38 114.25 1k73 h ARG 55 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.60 1k73 h ARG 55 Cb 3.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.11 1k73 h ARG 55 CO -0.01 0.07 0.00 1.19 -1.07 0.00 0.00 179.97 180.15 1k73 n PHE 56 N -3.45 0.22 -1.73 3.04 3.72 0.57 -4.89 117.46 114.95 1k73 n PHE 56 Ca -0.02 -0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 1k73 n PHE 56 Cb 0.20 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1k73 n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1k73 n ASP 57 N 0.45 4.00 0.00 4.37 2.03 -0.83 -1.83 116.55 124.74 1k73 n ASP 57 Ca 0.17 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.56 1k73 n ASP 57 Cb 0.36 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 1k73 n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k73 n GLY 58 N 3.47 3.23 3.68 0.27 0.00 0.12 -5.02 105.19 110.94 1k73 n GLY 58 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1k73 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k73 s GLN 59 N -0.89 1.07 -0.25 1.61 -1.52 -0.76 -4.73 119.66 114.20 1k73 s GLN 59 Ca 0.00 1.19 -0.03 0.00 -1.95 0.00 0.00 55.36 54.57 1k73 s GLN 59 Cb 0.00 -1.76 0.08 0.00 -0.22 0.00 0.00 33.01 31.11 1k73 s GLN 59 CO 0.00 -2.48 0.09 0.99 -0.25 0.00 0.00 175.29 173.64 1k73 s THR 60 N -2.75 0.38 0.02 -0.19 2.01 -1.26 -0.59 115.64 113.26 1k73 s THR 60 Ca 0.65 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1k73 s THR 60 Cb -0.21 -1.14 0.00 0.00 0.01 0.00 0.00 72.50 71.17 1k73 s THR 60 CO 0.58 -0.49 0.01 0.61 -0.69 0.00 0.00 174.62 174.64 1k73 n GLY 61 N 5.08 3.18 3.25 4.40 0.00 -0.30 -4.87 105.19 115.93 1k73 n GLY 61 Ca -0.06 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 1k73 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k73 s THR 62 N -0.20 2.88 0.18 2.61 2.01 -0.41 -1.61 115.64 121.09 1k73 s THR 62 Ca 0.01 -0.67 -0.32 0.00 0.31 0.00 0.00 61.69 61.03 1k73 s THR 62 Cb -0.00 -2.27 -0.11 0.00 0.01 0.00 0.00 72.50 70.13 1k73 s THR 62 CO 0.01 0.47 1.61 -0.69 -0.69 0.00 0.00 174.62 175.33 1k73 s VAL 63 N 1.31 2.45 -0.41 3.82 1.01 -0.17 -1.33 120.40 127.07 1k73 s VAL 63 Ca 0.04 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1k73 s VAL 63 Cb -0.14 -3.21 0.22 0.00 0.00 0.00 0.00 36.38 33.26 1k73 s VAL 63 CO -0.06 0.03 0.48 -0.62 0.00 0.00 0.00 175.10 174.93 1k73 n GLU 64 N 3.95 0.53 0.00 2.72 -0.58 -0.00 0.36 120.64 127.61 1k73 n GLU 64 Ca 0.14 -3.09 0.00 0.00 -0.42 0.00 0.00 57.16 53.79 1k73 n GLU 64 Cb 0.38 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 1k73 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k73 n GLY 65 N 1.96 -0.28 3.27 0.62 0.00 -1.26 -4.69 105.19 104.80 1k73 n GLY 65 Ca 0.23 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 1k73 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k73 s LYS 66 N -1.53 1.19 -0.27 1.61 -2.85 -1.26 -1.68 119.74 114.95 1k73 s LYS 66 Ca 0.00 -1.47 -0.02 0.00 -1.00 0.00 0.00 55.97 53.49 1k73 s LYS 66 Cb 0.00 0.31 0.09 0.00 -2.06 0.00 0.00 37.83 36.16 1k73 s LYS 66 CO 0.00 -0.40 0.08 -1.14 0.10 0.00 0.00 175.35 173.98 1k73 s GLN 67 N -4.09 0.65 4.73 1.78 0.74 -0.35 -4.85 119.66 118.27 1k73 s GLN 67 Ca 0.30 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.92 1k73 s GLN 67 Cb 0.05 -1.93 0.00 0.00 1.10 0.00 0.00 33.01 32.23 1k73 s GLN 67 CO 0.08 -0.87 0.00 0.41 -0.55 0.00 0.00 175.29 174.36 1k73 n GLY 68 N 4.96 1.31 0.15 2.59 0.00 -1.26 -2.19 105.19 110.75 1k73 n GLY 68 Ca -0.05 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.34 1k73 n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k73 h ASP 69 N 9.36 0.00 -4.29 1.61 3.32 -2.00 -3.46 116.42 120.97 1k73 h ASP 69 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1k73 h ASP 69 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1k73 h ASP 69 CO 0.00 0.08 0.32 0.00 -1.72 0.00 0.00 179.24 177.92 1k73 s ALA 70 N -3.24 2.21 0.20 3.45 0.00 -0.93 -4.78 121.76 118.67 1k73 s ALA 70 Ca 0.02 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.41 1k73 s ALA 70 Cb 0.08 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1k73 s ALA 70 CO 0.75 -1.79 0.15 0.71 0.00 0.00 0.00 175.76 175.57 1k73 s TYR 71 N -2.75 3.11 -0.38 0.00 1.51 0.14 -1.21 117.35 117.77 1k73 s TYR 71 Ca 0.63 -0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 56.56 1k73 s TYR 71 Cb -0.19 -1.45 0.07 0.00 -0.11 0.00 0.00 41.96 40.28 1k73 s TYR 71 CO 0.53 0.52 0.17 0.15 -1.11 0.00 0.00 175.55 175.82 1k73 s LYS 72 N -3.42 2.49 -0.14 -0.62 1.02 -0.67 -0.33 119.74 118.07 1k73 s LYS 72 Ca 0.32 -1.40 -0.04 0.00 0.02 0.00 0.00 55.97 54.86 1k73 s LYS 72 Cb -0.09 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 1k73 s LYS 72 CO 0.24 -0.84 0.00 0.08 -0.92 0.00 0.00 175.35 173.91 1k73 s VAL 73 N 1.35 4.29 -0.15 3.17 1.01 0.71 -0.82 120.40 129.96 1k73 s VAL 73 Ca 0.01 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 1k73 s VAL 73 Cb -0.21 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1k73 s VAL 73 CO 0.01 0.52 0.35 -1.81 0.00 0.00 0.00 175.10 174.16 1k73 s ASP 74 N 0.01 6.50 0.38 3.32 1.01 -0.44 0.85 116.67 128.29 1k73 s ASP 74 Ca 0.03 0.58 0.04 0.00 0.71 0.00 0.00 52.55 53.91 1k73 s ASP 74 Cb -0.13 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 1k73 s ASP 74 CO 0.02 0.06 0.15 0.27 0.21 0.00 0.00 175.17 175.89 1k73 s ILE 75 N 0.56 0.48 -0.22 0.77 -4.36 0.14 -1.29 121.20 117.29 1k73 s ILE 75 Ca 0.19 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.57 1k73 s ILE 75 Cb -0.14 -2.40 0.06 0.00 1.25 0.00 0.00 42.46 41.23 1k73 s ILE 75 CO 0.06 0.00 0.01 -0.69 0.24 0.00 0.00 174.94 174.56 1k73 s VAL 76 N -3.30 0.89 -0.49 8.37 1.01 -1.26 -1.03 120.40 124.59 1k73 s VAL 76 Ca 0.28 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 1k73 s VAL 76 Cb 0.03 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 35.09 1k73 s VAL 76 CO 0.17 -0.22 0.94 -0.62 0.00 0.00 0.00 175.10 175.37 1k73 s ASP 77 N 1.68 6.46 1.86 3.32 -1.08 0.20 -4.78 116.67 124.34 1k73 s ASP 77 Ca -0.02 0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 1k73 s ASP 77 Cb -0.18 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1k73 s ASP 77 CO -0.09 -1.11 0.00 0.61 0.52 0.00 0.00 175.17 175.10 1k73 n GLY 78 N 4.98 1.29 0.35 2.66 0.00 -1.26 0.25 105.19 113.47 1k73 n GLY 78 Ca 0.05 0.36 0.04 0.00 0.00 0.00 0.00 46.02 46.46 1k73 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k73 n GLY 79 N 0.00 1.29 3.81 -0.02 0.00 -1.26 -5.00 105.19 104.01 1k73 n GLY 79 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1k73 n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k73 s LYS 80 N -0.82 3.24 0.00 1.61 2.20 0.14 -5.07 119.74 121.04 1k73 s LYS 80 Ca 0.12 -0.29 -0.25 0.00 -0.36 0.00 0.00 55.97 55.18 1k73 s LYS 80 Cb 0.07 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 1k73 s LYS 80 CO 0.09 0.72 0.78 -2.00 -0.36 0.00 0.00 175.35 174.59 1k73 s GLU 81 N -1.21 4.49 0.04 4.03 2.12 -1.26 0.62 118.70 127.52 1k73 s GLU 81 Ca 0.17 1.07 -0.02 0.00 0.36 0.00 0.00 54.97 56.56 1k73 s GLU 81 Cb -0.12 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1k73 s GLU 81 CO 0.07 0.16 -0.00 0.15 -0.54 0.00 0.00 175.26 175.09 1k73 s LYS 82 N 0.40 0.52 -0.17 4.30 1.02 -0.20 -4.91 119.74 120.70 1k73 s LYS 82 Ca 0.41 -0.95 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 1k73 s LYS 82 Cb -0.20 0.19 -0.00 0.00 -0.52 0.00 0.00 37.83 37.30 1k73 s LYS 82 CO 0.22 -0.10 -0.13 0.99 -0.92 0.00 0.00 175.35 175.42 1k73 s THR 83 N -2.96 2.84 -0.16 2.17 2.01 -1.26 -0.69 115.64 117.60 1k73 s THR 83 Ca -0.02 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 1k73 s THR 83 Cb 0.01 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1k73 s THR 83 CO -0.06 0.50 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.66 1k73 s ILE 84 N 0.95 3.50 -0.41 1.82 1.01 0.25 -4.91 121.20 123.40 1k73 s ILE 84 Ca -0.02 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.91 1k73 s ILE 84 Cb -0.15 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.81 1k73 s ILE 84 CO -0.01 0.49 0.79 -0.63 0.00 0.00 0.00 174.94 175.57 1k73 s ILE 85 N 0.62 4.68 -0.08 2.92 -1.09 -1.26 -0.21 121.20 126.78 1k73 s ILE 85 Ca -0.04 0.64 -0.12 0.00 -2.23 0.00 0.00 60.65 58.90 1k73 s ILE 85 Cb -0.15 -4.28 0.03 0.00 -1.58 0.00 0.00 42.46 36.48 1k73 s ILE 85 CO 0.03 -0.60 0.30 0.54 -1.23 0.00 0.00 174.94 173.97 1k73 s VAL 86 N 3.23 0.02 0.67 2.92 0.11 0.56 -4.62 120.40 123.30 1k73 s VAL 86 Ca 0.31 -0.19 -0.07 0.00 -2.93 0.00 0.00 61.98 59.09 1k73 s VAL 86 Cb -0.12 -0.49 0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1k73 s VAL 86 CO 0.20 -0.11 0.99 0.42 -3.33 0.00 0.00 175.10 173.28 1k73 s THR 87 N -0.40 2.81 0.34 5.04 -4.23 -0.94 0.27 115.64 118.53 1k73 s THR 87 Ca -0.05 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.37 1k73 s THR 87 Cb -0.03 -3.19 0.23 0.00 1.34 0.00 0.00 72.50 70.85 1k73 s THR 87 CO 0.02 -0.20 1.96 0.00 -0.54 0.00 0.00 174.62 175.85 1k73 h ALA 88 N -0.49 1.47 -0.78 3.99 0.00 -1.83 -2.33 119.26 119.29 1k73 h ALA 88 Ca -0.45 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 54.59 1k73 h ALA 88 Cb 1.29 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1k73 h ALA 88 CO 0.61 0.43 0.78 0.00 0.00 0.00 0.00 179.25 181.07 1k73 h ALA 89 N 1.55 2.60 -0.24 0.00 0.00 -1.75 0.62 119.26 122.05 1k73 h ALA 89 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1k73 h ALA 89 Cb 0.04 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1k73 h ALA 89 CO -0.03 -1.18 0.00 0.72 0.00 0.00 0.00 179.25 178.76 1k73 n HIS 90 N -3.65 0.67 -4.43 0.00 -0.00 -0.88 -4.59 115.22 102.34 1k73 n HIS 90 Ca 0.16 -0.78 -0.25 0.00 -0.00 0.00 0.00 57.72 56.85 1k73 n HIS 90 Cb 1.05 -0.21 -0.11 0.00 -0.00 0.00 0.00 29.99 30.71 1k73 n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1k73 s LEU 91 N -2.28 2.48 -0.05 2.41 1.43 0.22 -1.92 118.68 120.97 1k73 s LEU 91 Ca 0.34 -0.92 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 1k73 s LEU 91 Cb 0.26 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 45.40 1k73 s LEU 91 CO 0.09 0.07 0.15 -0.13 0.23 0.00 0.00 176.35 176.77 1k73 s ARG 92 N -2.96 0.23 0.17 1.70 1.81 -0.98 -4.95 118.95 113.97 1k73 s ARG 92 Ca 0.23 0.11 -0.31 0.00 -1.72 0.00 0.00 55.73 54.05 1k73 s ARG 92 Cb -0.07 0.11 -0.09 0.00 -0.45 0.00 0.00 34.95 34.45 1k73 s ARG 92 CO 0.11 -0.04 1.38 1.03 -0.68 0.00 0.00 175.30 177.10 1k73 s ARG 93 N -0.15 4.33 0.49 3.54 0.52 -1.26 -0.58 118.95 125.84 1k73 s ARG 93 Ca -0.02 2.12 -0.21 0.00 -0.52 0.00 0.00 55.73 57.10 1k73 s ARG 93 Cb -0.02 -3.20 -0.08 0.00 0.52 0.00 0.00 34.95 32.17 1k73 s ARG 93 CO 0.00 -0.38 1.08 -1.14 0.02 0.00 0.00 175.30 174.89 1k73 s GLN 94 N 0.42 3.69 0.00 3.54 0.74 -0.48 -4.83 119.66 122.73 1k73 s GLN 94 Ca 0.61 1.50 0.00 0.00 0.05 0.00 0.00 55.36 57.52 1k73 s GLN 94 Cb -0.38 -2.14 0.00 0.00 1.10 0.00 0.00 33.01 31.59 1k73 s GLN 94 CO 0.35 -0.55 0.00 0.39 -0.55 0.00 0.00 175.29 174.93