#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 n GLU 5 N 0.00 -5.34 -3.49 0.00 1.02 -1.26 -5.03 120.64 106.54 1k73 n GLU 5 Ca 0.00 3.84 -0.24 0.00 -0.02 0.00 0.00 57.16 60.74 1k73 n GLU 5 Cb 0.00 -4.65 -0.13 0.00 -0.02 0.00 0.00 31.44 26.64 1k73 n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1k73 s PHE 6 N -0.58 0.00 -1.01 -0.32 5.36 -1.26 -5.06 117.98 115.12 1k73 s PHE 6 Ca 0.00 -0.53 -0.27 0.00 -0.96 0.00 0.00 56.93 55.18 1k73 s PHE 6 Cb 0.00 -0.70 -0.23 0.00 -0.34 0.00 0.00 43.02 41.75 1k73 s PHE 6 CO 0.00 -0.82 2.05 -0.25 -1.46 0.00 0.00 175.22 174.73 1k73 n ASP 7 N 5.28 1.56 -4.72 6.13 8.00 -1.26 -4.88 116.55 126.65 1k73 n ASP 7 Ca -0.05 -2.52 -0.41 0.00 0.71 0.00 0.00 54.79 52.52 1k73 n ASP 7 Cb 0.44 -1.63 -0.04 0.00 -0.02 0.00 0.00 41.12 39.88 1k73 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k73 s ALA 8 N 15.60 3.23 -0.27 2.24 0.00 -1.26 -4.81 121.76 136.49 1k73 s ALA 8 Ca 0.79 0.40 0.23 0.00 0.00 0.00 0.00 51.96 53.38 1k73 s ALA 8 Cb -0.02 -3.19 0.46 0.00 0.00 0.00 0.00 23.12 20.36 1k73 s ALA 8 CO 0.20 -0.15 1.64 -0.44 0.00 0.00 0.00 175.76 177.00 1k73 h ASP 9 N 6.61 0.00 -3.58 0.00 3.32 -0.52 -3.44 116.42 118.81 1k73 h ASP 9 Ca -0.41 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.39 1k73 h ASP 9 Cb 1.21 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.46 1k73 h ASP 9 CO 0.75 0.12 -0.64 -0.69 -1.72 0.00 0.00 179.24 177.06 1k73 s VAL 10 N -3.25 -0.03 -0.26 -1.35 1.01 -0.94 -4.98 120.40 110.59 1k73 s VAL 10 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1k73 s VAL 10 Cb 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 36.38 36.33 1k73 s VAL 10 CO 0.67 0.05 -0.07 -0.63 0.00 0.00 0.00 175.10 175.11 1k73 s ILE 11 N 0.69 2.55 -0.17 2.22 1.01 -1.26 -1.76 121.20 124.47 1k73 s ILE 11 Ca -0.05 -1.39 -0.09 0.00 0.00 0.00 0.00 60.65 59.11 1k73 s ILE 11 Cb -0.07 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1k73 s ILE 11 CO -0.03 0.03 0.14 -0.69 0.00 0.00 0.00 174.94 174.40 1k73 s VAL 12 N 1.20 5.43 -0.34 2.92 1.01 0.55 -0.08 120.40 131.09 1k73 s VAL 12 Ca -0.05 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 1k73 s VAL 12 Cb -0.19 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1k73 s VAL 12 CO -0.04 0.49 0.39 -0.62 0.00 0.00 0.00 175.10 175.32 1k73 s ASP 13 N -0.07 6.21 0.00 3.32 -1.08 -0.24 0.37 116.67 125.19 1k73 s ASP 13 Ca 0.11 -0.17 0.27 0.00 -0.52 0.00 0.00 52.55 52.23 1k73 s ASP 13 Cb -0.11 -2.21 0.82 0.00 -1.46 0.00 0.00 42.92 39.95 1k73 s ASP 13 CO 0.00 -0.36 1.63 0.00 0.52 0.00 0.00 175.17 176.96 1k73 n ALA 14 N 5.45 3.02 -1.67 3.66 0.00 0.22 -4.71 120.51 126.48 1k73 n ALA 14 Ca -0.08 -0.24 -0.53 0.00 0.00 0.00 0.00 53.44 52.59 1k73 n ALA 14 Cb 0.49 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1k73 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1k73 n ARG 15 N -1.51 1.49 -2.39 0.00 0.63 -1.25 -0.94 116.66 112.68 1k73 n ARG 15 Ca 0.06 0.54 -0.21 0.00 -0.92 0.00 0.00 57.85 57.32 1k73 n ARG 15 Cb 0.34 -2.26 -0.01 0.00 0.45 0.00 0.00 32.46 30.98 1k73 n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1k73 n ASP 16 N 4.78 -5.95 -4.46 6.15 9.92 -0.22 -4.93 116.55 121.84 1k73 n ASP 16 Ca 0.23 -0.01 -0.28 0.00 -0.53 0.00 0.00 54.79 54.19 1k73 n ASP 16 Cb 0.20 -4.96 -0.11 0.00 -0.64 0.00 0.00 41.12 35.61 1k73 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k73 s ILE 18 N -1.35 3.62 0.17 0.00 1.01 0.11 -0.98 121.20 123.79 1k73 s ILE 18 Ca 0.19 0.48 -0.17 0.00 0.00 0.00 0.00 60.65 61.15 1k73 s ILE 18 Cb -0.09 -4.26 0.13 0.00 0.01 0.00 0.00 42.46 38.24 1k73 s ILE 18 CO 0.10 -1.09 1.26 0.80 0.00 0.00 0.00 174.94 176.00 1k73 n MET 19 N 8.88 -0.24 -0.18 2.79 0.00 -0.77 -0.79 117.12 126.81 1k73 n MET 19 Ca 0.15 1.25 -0.03 0.00 -0.00 0.00 0.00 57.70 59.06 1k73 n MET 19 Cb 0.50 -1.84 0.06 0.00 0.00 0.00 0.00 33.22 31.94 1k73 n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1k73 h GLY 20 N 0.00 0.77 1.61 -5.12 0.00 -1.90 0.38 103.07 98.80 1k73 h GLY 20 Ca 0.24 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 1k73 h GLY 20 CO -0.80 0.11 -0.15 3.21 0.00 0.00 0.00 176.54 178.91 1k73 h ARG 21 N 0.52 0.47 0.14 4.80 3.08 -1.34 -0.16 114.38 121.88 1k73 h ARG 21 Ca 0.24 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1k73 h ARG 21 Cb 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1k73 h ARG 21 CO -0.18 0.62 -0.07 0.28 -1.07 0.00 0.00 179.97 179.55 1k73 h VAL 22 N 0.43 1.00 -0.67 2.04 2.07 -0.61 -3.01 116.25 117.50 1k73 h VAL 22 Ca 0.08 -1.09 0.14 0.00 0.82 0.00 0.00 66.70 66.64 1k73 h VAL 22 Cb 0.52 1.63 -0.10 0.00 -1.52 0.00 0.00 31.29 31.82 1k73 h VAL 22 CO 0.03 0.24 0.13 0.00 0.02 0.00 0.00 177.57 178.00 1k73 h ALA 23 N -0.06 0.82 -0.91 1.67 0.00 -0.08 0.32 119.26 121.02 1k73 h ALA 23 Ca -0.02 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1k73 h ALA 23 Cb 0.53 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1k73 h ALA 23 CO 0.03 -0.33 0.59 1.03 0.00 0.00 0.00 179.25 180.57 1k73 h SER 24 N 0.25 0.93 0.57 0.00 0.87 -1.06 0.57 113.55 115.68 1k73 h SER 24 Ca 0.37 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.67 1k73 h SER 24 Cb 0.59 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1k73 h SER 24 CO -0.48 0.61 -1.16 1.56 -0.53 0.00 0.00 176.83 176.84 1k73 h GLN 25 N 1.06 0.30 -0.01 2.24 4.20 -0.77 -2.54 115.11 119.60 1k73 h GLN 25 Ca 0.38 -0.45 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 1k73 h GLN 25 Cb 0.15 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1k73 h GLN 25 CO -0.14 1.18 -0.38 0.28 -0.67 0.00 0.00 178.83 179.11 1k73 h VAL 26 N 0.11 1.27 0.27 -0.54 2.07 0.16 -1.11 116.25 118.48 1k73 h VAL 26 Ca -0.12 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1k73 h VAL 26 Cb 1.86 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1k73 h VAL 26 CO 0.19 0.37 -0.13 0.00 0.02 0.00 0.00 177.57 178.02 1k73 h ALA 27 N 1.61 -0.36 -0.66 1.67 0.00 -0.89 -1.53 119.26 119.10 1k73 h ALA 27 Ca -0.00 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.85 1k73 h ALA 27 Cb 0.67 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 1k73 h ALA 27 CO 0.05 -0.50 0.11 1.49 0.00 0.00 0.00 179.25 180.40 1k73 h GLU 28 N -0.77 0.22 -0.39 0.00 4.57 -1.23 -1.73 114.58 115.25 1k73 h GLU 28 Ca -0.04 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.00 1k73 h GLU 28 Cb 0.50 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1k73 h GLU 28 CO 0.06 0.15 -0.29 1.96 -1.18 0.00 0.00 179.01 179.71 1k73 h GLN 29 N 0.23 0.84 0.00 1.92 4.20 -1.16 -2.90 115.11 118.23 1k73 h GLN 29 Ca 0.36 -0.38 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1k73 h GLN 29 Cb 0.58 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1k73 h GLN 29 CO -0.48 1.02 -0.34 0.00 -0.67 0.00 0.00 178.83 178.36 1k73 h ALA 30 N 0.95 1.43 0.00 3.87 0.00 -0.54 -0.47 119.26 124.51 1k73 h ALA 30 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1k73 h ALA 30 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1k73 h ALA 30 CO 0.07 0.43 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1k73 n LEU 31 N -4.13 0.02 -0.99 0.00 4.77 -0.72 -2.21 117.00 113.74 1k73 n LEU 31 Ca -0.02 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.58 1k73 n LEU 31 Cb 0.38 -0.50 0.24 0.00 -2.33 0.00 0.00 43.42 41.22 1k73 n LEU 31 CO 0.38 -0.06 0.71 0.47 -1.33 0.00 0.00 177.39 177.57 1k73 n ASP 32 N -1.52 2.97 0.00 -1.43 8.00 -0.26 -4.93 116.55 119.39 1k73 n ASP 32 Ca 0.06 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.64 1k73 n ASP 32 Cb 0.31 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1k73 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k73 n GLY 33 N 1.40 0.69 3.78 0.44 0.00 -0.94 -5.08 105.19 105.48 1k73 n GLY 33 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1k73 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k73 s GLU 34 N -0.85 4.60 -0.31 1.61 0.41 -0.74 -4.99 118.70 118.43 1k73 s GLU 34 Ca 0.00 1.30 -0.15 0.00 -0.41 0.00 0.00 54.97 55.71 1k73 s GLU 34 Cb 0.00 -2.93 -0.03 0.00 -1.78 0.00 0.00 34.13 29.39 1k73 s GLU 34 CO 0.00 0.36 0.35 0.99 -0.49 0.00 0.00 175.26 176.47 1k73 s THR 35 N -1.49 5.18 0.09 3.63 2.01 -1.26 -4.16 115.64 119.63 1k73 s THR 35 Ca 0.47 0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.81 1k73 s THR 35 Cb -0.20 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1k73 s THR 35 CO 0.25 0.04 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.37 1k73 s VAL 36 N 2.01 2.95 -0.05 3.82 1.01 -0.73 0.27 120.40 129.68 1k73 s VAL 36 Ca 0.12 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.78 1k73 s VAL 36 Cb -0.16 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.92 1k73 s VAL 36 CO 0.11 0.19 -0.05 0.00 0.00 0.00 0.00 175.10 175.35 1k73 s ALA 37 N -1.08 0.75 -0.22 5.51 0.00 -0.73 -2.01 121.76 123.99 1k73 s ALA 37 Ca 0.17 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.94 1k73 s ALA 37 Cb -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1k73 s ALA 37 CO 0.09 -0.06 0.09 0.08 0.00 0.00 0.00 175.76 175.96 1k73 s VAL 38 N 1.01 4.76 0.11 0.00 1.01 -0.24 -0.33 120.40 126.72 1k73 s VAL 38 Ca -0.09 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1k73 s VAL 38 Cb -0.14 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1k73 s VAL 38 CO -0.00 0.39 0.04 -0.69 0.00 0.00 0.00 175.10 174.84 1k73 s VAL 39 N 0.94 4.18 -1.28 2.92 1.01 0.16 0.31 120.40 128.64 1k73 s VAL 39 Ca 0.05 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 1k73 s VAL 39 Cb -0.14 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1k73 s VAL 39 CO 0.03 0.06 0.98 0.59 0.00 0.00 0.00 175.10 176.76 1k73 n ASN 40 N 0.32 -3.03 -0.30 3.32 3.02 0.11 -0.61 115.26 118.09 1k73 n ASN 40 Ca -0.10 -0.66 0.02 0.00 -0.03 0.00 0.00 54.58 53.82 1k73 n ASN 40 Cb 0.53 -4.79 0.16 0.00 -0.61 0.00 0.00 39.78 35.06 1k73 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k73 h ALA 41 N 0.92 1.18 -0.30 5.41 0.00 -1.60 -0.19 119.26 124.69 1k73 h ALA 41 Ca -0.59 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.42 1k73 h ALA 41 Cb 1.35 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1k73 h ALA 41 CO 0.54 0.18 0.30 1.05 0.00 0.00 0.00 179.25 181.32 1k73 h GLU 42 N 0.87 0.00 -0.66 0.00 9.09 -1.86 0.26 114.58 122.28 1k73 h GLU 42 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 1k73 h GLU 42 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1k73 h GLU 42 CO -0.21 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.39 1k73 n ARG 43 N -3.84 2.70 -1.43 1.06 1.74 -0.09 -1.59 116.66 115.21 1k73 n ARG 43 Ca 0.04 -2.43 -0.30 0.00 -0.77 0.00 0.00 57.85 54.40 1k73 n ARG 43 Cb 0.46 -1.57 0.12 0.00 -1.02 0.00 0.00 32.46 30.45 1k73 n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k73 s ALA 44 N -1.23 1.87 0.05 7.54 0.00 0.08 -1.05 121.76 129.02 1k73 s ALA 44 Ca 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 1k73 s ALA 44 Cb 0.24 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1k73 s ALA 44 CO 0.29 -2.09 0.01 0.54 0.00 0.00 0.00 175.76 174.51 1k73 s VAL 45 N -3.11 0.19 -0.04 0.00 0.11 -0.15 -1.66 120.40 115.74 1k73 s VAL 45 Ca 0.62 -1.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.14 1k73 s VAL 45 Cb -0.16 -1.25 0.02 0.00 -1.53 0.00 0.00 36.38 33.46 1k73 s VAL 45 CO 0.55 -0.85 -0.02 -0.51 -3.33 0.00 0.00 175.10 170.94 1k73 s ILE 46 N -3.42 0.36 0.68 7.04 2.07 -0.73 -1.85 121.20 125.36 1k73 s ILE 46 Ca 0.02 -0.03 -0.13 0.00 -1.41 0.00 0.00 60.65 59.10 1k73 s ILE 46 Cb 0.04 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.22 1k73 s ILE 46 CO -0.08 0.18 1.09 -0.89 -1.91 0.00 0.00 174.94 173.33 1k73 s THR 47 N 0.95 3.49 -2.21 4.00 2.01 -1.26 -1.26 115.64 121.36 1k73 s THR 47 Ca -0.11 0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1k73 s THR 47 Cb -0.14 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1k73 s THR 47 CO -0.01 -0.51 0.00 0.61 -0.69 0.00 0.00 174.62 174.02 1k73 n GLY 48 N -1.00 0.78 3.56 4.40 0.00 -0.43 -4.87 105.19 107.63 1k73 n GLY 48 Ca 0.09 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 1k73 n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k73 s ARG 49 N -0.95 3.49 0.33 1.61 3.52 -1.26 -2.97 118.95 122.72 1k73 s ARG 49 Ca 0.00 0.07 0.14 0.00 -0.13 0.00 0.00 55.73 55.81 1k73 s ARG 49 Cb 0.00 -3.93 1.09 0.00 -1.56 0.00 0.00 34.95 30.56 1k73 s ARG 49 CO 0.00 -1.18 1.46 -1.91 -0.81 0.00 0.00 175.30 172.86 1k73 n GLU 50 N 6.98 -0.06 -0.04 5.12 2.13 -1.26 -1.12 120.64 132.39 1k73 n GLU 50 Ca 0.05 1.31 -0.10 0.00 0.66 0.00 0.00 57.16 59.08 1k73 n GLU 50 Cb 0.48 -2.26 -0.03 0.00 0.27 0.00 0.00 31.44 29.90 1k73 n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1k73 h GLU 51 N 0.00 0.19 -0.15 5.31 3.07 -1.99 -0.14 114.58 120.86 1k73 h GLU 51 Ca 0.72 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 59.46 1k73 h GLU 51 Cb 1.82 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.69 1k73 h GLU 51 CO -0.76 0.13 -0.34 -0.56 -1.40 0.00 0.00 179.01 176.09 1k73 h GLN 52 N 0.20 0.50 -0.30 2.33 -0.00 -1.54 -2.12 115.11 114.18 1k73 h GLN 52 Ca 0.08 -0.33 0.07 0.00 -0.00 0.00 0.00 58.65 58.47 1k73 h GLN 52 Cb 0.02 0.04 -0.07 0.00 -0.00 0.00 0.00 27.48 27.48 1k73 h GLN 52 CO -0.06 0.94 -0.18 0.82 -0.00 0.00 0.00 178.83 180.35 1k73 h ILE 53 N 0.13 0.48 -0.59 1.86 2.04 -1.26 -0.22 117.51 119.93 1k73 h ILE 53 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1k73 h ILE 53 Cb 0.94 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1k73 h ILE 53 CO 0.07 0.00 0.31 0.58 0.00 0.00 0.00 178.15 179.12 1k73 h VAL 54 N -0.15 1.19 -0.77 1.67 2.07 -0.96 -2.29 116.25 117.00 1k73 h VAL 54 Ca 0.16 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1k73 h VAL 54 Cb 0.39 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1k73 h VAL 54 CO -0.39 0.21 0.49 -0.33 0.02 0.00 0.00 177.57 177.57 1k73 h GLU 55 N 0.83 1.03 0.20 1.57 5.08 -0.37 0.14 114.58 123.07 1k73 h GLU 55 Ca 0.21 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1k73 h GLU 55 Cb 0.04 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1k73 h GLU 55 CO -0.03 0.70 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.34 1k73 h LYS 56 N 1.05 -0.30 -0.29 2.33 3.64 -0.72 -0.25 116.57 122.03 1k73 h LYS 56 Ca 0.28 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.59 1k73 h LYS 56 Cb -0.09 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1k73 h LYS 56 CO -0.06 -0.20 -0.22 1.88 -2.27 0.00 0.00 179.45 178.58 1k73 h TYR 57 N -0.32 0.61 -0.26 1.91 -1.99 -1.31 -2.28 116.97 113.34 1k73 h TYR 57 Ca -0.02 -0.12 -0.07 0.00 2.00 0.00 0.00 58.73 60.52 1k73 h TYR 57 Cb 0.26 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.83 1k73 h TYR 57 CO -0.09 0.73 -0.13 0.93 -0.00 0.00 0.00 178.16 179.60 1k73 h GLU 58 N 0.48 0.44 -0.34 4.88 5.08 -0.45 -2.18 114.58 122.49 1k73 h GLU 58 Ca 0.07 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1k73 h GLU 58 Cb 0.65 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1k73 h GLU 58 CO 0.05 0.57 0.19 -0.22 -1.00 0.00 0.00 179.01 178.59 1k73 h LYS 59 N 0.41 0.47 -0.83 2.33 1.63 -0.49 -2.01 116.57 118.09 1k73 h LYS 59 Ca 0.08 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.89 1k73 h LYS 59 Cb 0.47 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.95 1k73 h LYS 59 CO 0.03 0.39 0.54 0.00 -3.45 0.00 0.00 179.45 176.96 1k73 h ARG 60 N 0.42 0.86 -0.38 1.90 3.08 -1.04 0.83 114.38 120.05 1k73 h ARG 60 Ca 0.12 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1k73 h ARG 60 Cb 0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1k73 h ARG 60 CO -0.02 0.57 -0.09 0.28 -1.07 0.00 0.00 179.97 179.64 1k73 h VAL 61 N 0.88 1.28 -0.05 2.04 2.07 -0.87 -3.20 116.25 118.39 1k73 h VAL 61 Ca 0.36 -1.17 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 1k73 h VAL 61 Cb 0.27 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1k73 h VAL 61 CO -0.13 0.39 -0.52 0.44 0.02 0.00 0.00 177.57 177.77 1k73 h ASP 62 N 0.55 0.15 -3.94 0.57 3.32 -0.50 -3.45 116.42 113.12 1k73 h ASP 62 Ca 0.10 -0.08 -0.56 0.00 0.02 0.00 0.00 57.03 56.51 1k73 h ASP 62 Cb 0.61 -0.04 0.16 0.00 0.22 0.00 0.00 39.33 40.27 1k73 h ASP 62 CO 0.04 0.64 0.43 -0.38 -1.72 0.00 0.00 179.24 178.25 1k73 n ILE 63 N -3.93 4.39 0.00 0.35 5.41 0.16 -4.93 119.36 120.80 1k73 n ILE 63 Ca -0.02 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.23 1k73 n ILE 63 Cb 0.54 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 1k73 n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1k73 n GLY 64 N 0.98 0.47 0.00 7.39 0.00 -1.26 -4.63 105.19 108.14 1k73 n GLY 64 Ca 0.14 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1k73 n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k73 n ASN 65 N 0.00 0.00 -0.34 1.61 0.23 -1.26 -4.93 115.26 110.57 1k73 n ASN 65 Ca 0.00 -0.63 -0.01 0.00 -0.53 0.00 0.00 54.58 53.41 1k73 n ASN 65 Cb 0.00 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 37.84 1k73 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1k73 h ASP 66 N 0.00 1.09 -0.33 0.53 3.32 -2.05 -0.45 116.42 118.53 1k73 h ASP 66 Ca 0.00 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1k73 h ASP 66 Cb 0.00 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1k73 h ASP 66 CO 0.00 0.78 -0.00 -1.13 -1.72 0.00 0.00 179.24 177.17 1k73 h ASN 67 N 1.28 0.65 -4.48 6.45 -0.73 -2.05 -3.48 115.58 113.23 1k73 h ASN 67 Ca 0.35 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.38 1k73 h ASN 67 Cb -0.14 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.28 1k73 h ASN 67 CO -0.08 0.72 0.00 0.61 -0.37 0.00 0.00 177.43 178.32 1k73 n GLY 68 N -0.73 0.58 2.41 1.57 0.00 -0.18 -4.99 105.19 103.85 1k73 n GLY 68 Ca 0.02 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 1k73 n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k73 n TYR 69 N 0.88 -1.38 -2.05 1.61 9.36 -1.26 -4.77 117.16 119.54 1k73 n TYR 69 Ca 0.00 -2.98 -0.40 0.00 3.32 0.00 0.00 57.90 57.84 1k73 n TYR 69 Cb 0.00 0.36 -0.03 0.00 -0.63 0.00 0.00 39.34 39.04 1k73 n TYR 69 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1k73 s PHE 70 N -0.14 1.77 -0.14 2.98 5.36 -1.26 -4.80 117.98 121.74 1k73 s PHE 70 Ca 0.33 0.73 -0.02 0.00 -0.96 0.00 0.00 56.93 57.01 1k73 s PHE 70 Cb 0.09 -4.12 -0.02 0.00 -0.34 0.00 0.00 43.02 38.63 1k73 s PHE 70 CO -0.16 -2.47 -0.07 -0.47 -1.46 0.00 0.00 175.22 170.59 1k73 s TYR 71 N 8.14 2.94 0.51 10.12 5.04 -1.26 -5.09 117.35 137.74 1k73 s TYR 71 Ca 0.70 -0.43 -0.22 0.00 -2.44 0.00 0.00 57.07 54.68 1k73 s TYR 71 Cb -0.16 -1.91 -0.06 0.00 0.35 0.00 0.00 41.96 40.18 1k73 s TYR 71 CO 0.25 -0.10 1.29 -1.25 -1.34 0.00 0.00 175.55 174.40 1k73 s PRO 72 N 0.35 3.41 -0.11 4.97 0.04 -1.26 -4.87 135.00 137.53 1k73 s PRO 72 Ca -0.07 2.07 0.09 0.00 0.04 0.00 0.00 61.00 63.14 1k73 s PRO 72 Cb -0.15 -2.34 -0.13 0.00 0.04 0.00 0.00 34.50 31.91 1k73 s PRO 72 CO 0.04 -0.92 0.02 1.63 0.04 0.00 0.00 177.00 177.81 1k73 n LYS 73 N -0.76 1.99 -2.42 4.56 5.02 -1.26 -4.59 118.16 120.69 1k73 n LYS 73 Ca 0.09 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.04 1k73 n LYS 73 Cb 0.46 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.16 1k73 n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1k73 s ARG 74 N -2.27 3.61 0.47 1.97 1.81 -1.26 -4.23 118.95 119.05 1k73 s ARG 74 Ca -0.07 1.45 0.32 0.00 -1.72 0.00 0.00 55.73 55.72 1k73 s ARG 74 Cb 0.03 -2.06 1.65 0.00 -0.45 0.00 0.00 34.95 34.12 1k73 s ARG 74 CO 0.45 -0.60 1.98 -1.00 -0.68 0.00 0.00 175.30 175.44 1k73 h PRO 75 N 1.39 0.00 0.00 3.54 0.13 -1.94 -1.79 132.00 133.33 1k73 h PRO 75 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1k73 h PRO 75 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1k73 h PRO 75 CO 0.58 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.88 1k73 n ASP 76 N -2.67 0.00 -0.19 1.44 -0.08 -1.26 -2.82 116.55 110.97 1k73 n ASP 76 Ca -0.01 0.96 -0.09 0.00 -1.51 0.00 0.00 54.79 54.14 1k73 n ASP 76 Cb 0.11 -0.46 0.03 0.00 2.34 0.00 0.00 41.12 43.14 1k73 n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1k73 h GLY 77 N 0.00 1.11 -0.60 0.27 0.00 -1.87 -2.91 103.07 99.08 1k73 h GLY 77 Ca 0.00 -0.86 0.15 0.00 0.00 0.00 0.00 47.33 46.61 1k73 h GLY 77 CO 0.00 0.79 -0.25 -2.22 0.00 0.00 0.00 176.54 174.86 1k73 h ILE 78 N 0.92 0.17 -0.51 2.60 1.08 -1.39 0.43 117.51 120.82 1k73 h ILE 78 Ca 0.15 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.57 1k73 h ILE 78 Cb 0.63 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 1k73 h ILE 78 CO 0.04 0.00 0.13 0.15 -0.69 0.00 0.00 178.15 177.79 1k73 h PHE 79 N -0.04 0.84 -0.52 1.37 -0.00 -1.46 -0.96 116.94 116.16 1k73 h PHE 79 Ca 0.34 -0.10 -0.10 0.00 -0.00 0.00 0.00 57.97 58.12 1k73 h PHE 79 Cb 0.58 -0.24 -0.02 0.00 -0.00 0.00 0.00 35.95 36.27 1k73 h PHE 79 CO -0.66 0.74 -0.05 -0.22 -0.00 0.00 0.00 178.31 178.12 1k73 h LYS 80 N 0.70 0.96 -0.43 1.11 3.64 -0.65 -1.89 116.57 120.02 1k73 h LYS 80 Ca 0.16 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1k73 h LYS 80 Cb 0.32 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1k73 h LYS 80 CO -0.00 1.00 0.11 -0.09 -2.27 0.00 0.00 179.45 178.19 1k73 h ARG 81 N 0.83 0.63 -0.66 1.90 9.65 -0.03 0.11 114.38 126.80 1k73 h ARG 81 Ca 0.14 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1k73 h ARG 81 Cb 0.59 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 1k73 h ARG 81 CO 0.04 0.57 0.36 1.15 2.80 0.00 0.00 179.97 184.89 1k73 h THR 82 N 0.62 1.20 -0.07 0.20 2.02 -0.66 -1.89 112.91 114.33 1k73 h THR 82 Ca 0.14 -0.51 -0.22 0.00 0.77 0.00 0.00 66.41 66.60 1k73 h THR 82 Cb 0.22 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1k73 h THR 82 CO -0.00 0.22 -0.84 0.40 0.37 0.00 0.00 175.52 175.67 1k73 h ILE 83 N 0.92 1.34 -0.09 3.11 2.04 -0.27 -2.91 117.51 121.64 1k73 h ILE 83 Ca 0.23 -2.18 0.03 0.00 1.00 0.00 0.00 64.86 63.94 1k73 h ILE 83 Cb 0.03 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1k73 h ILE 83 CO -0.04 0.67 0.07 -0.09 0.00 0.00 0.00 178.15 178.76 1k73 h ARG 84 N 0.36 0.00 0.00 2.37 2.43 -0.38 0.22 114.38 119.38 1k73 h ARG 84 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1k73 h ARG 84 Cb 1.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1k73 h ARG 84 CO 0.16 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.03 1k73 n GLY 85 N -1.53 -1.24 1.14 2.80 0.00 -0.77 -2.22 105.19 103.36 1k73 n GLY 85 Ca -0.01 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1k73 n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1k73 n MET 86 N -1.71 3.25 -4.12 1.61 2.81 0.76 -4.95 117.12 114.78 1k73 n MET 86 Ca 0.04 -2.62 -0.15 0.00 -1.81 0.00 0.00 57.70 53.17 1k73 n MET 86 Cb 0.25 -1.68 -0.12 0.00 -0.71 0.00 0.00 33.22 30.96 1k73 n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1k73 s LEU 87 N -1.75 2.22 -1.51 4.03 1.43 -0.94 -4.89 118.68 117.27 1k73 s LEU 87 Ca 0.41 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 1k73 s LEU 87 Cb 0.26 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 46.21 1k73 s LEU 87 CO 0.19 -0.12 2.48 -0.81 0.23 0.00 0.00 176.35 178.31 1k73 n PRO 88 N 1.68 3.22 0.00 1.29 -0.04 -1.26 -4.74 135.00 135.15 1k73 n PRO 88 Ca -0.21 -2.52 0.00 0.00 -0.04 0.00 0.00 63.50 60.73 1k73 n PRO 88 Cb 0.55 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 1k73 n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1k73 n HIS 89 N 5.03 0.00 0.86 0.54 1.44 -1.26 -1.22 115.22 120.60 1k73 n HIS 89 Ca 0.61 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.42 1k73 n HIS 89 Cb 0.33 -0.34 -0.09 0.00 0.12 0.00 0.00 29.99 30.01 1k73 n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1k73 n LYS 90 N -1.33 0.09 -2.92 -1.40 5.02 -1.26 -3.87 118.16 112.49 1k73 n LYS 90 Ca 0.00 -0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 55.99 1k73 n LYS 90 Cb 0.03 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 1k73 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k73 s LYS 91 N -3.07 3.60 0.11 1.97 1.02 -0.36 -4.92 119.74 118.09 1k73 s LYS 91 Ca 0.06 0.14 -0.26 0.00 0.02 0.00 0.00 55.97 55.93 1k73 s LYS 91 Cb 0.16 -2.47 -0.10 0.00 -0.52 0.00 0.00 37.83 34.90 1k73 s LYS 91 CO 0.86 -0.04 1.66 0.37 -0.92 0.00 0.00 175.35 177.28 1k73 h GLN 92 N 0.80 -0.37 -0.59 1.68 4.15 -1.91 -0.02 115.11 118.84 1k73 h GLN 92 Ca -0.48 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.02 1k73 h GLN 92 Cb 1.20 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.93 1k73 h GLN 92 CO 0.63 -0.25 0.32 -0.09 -1.93 0.00 0.00 178.83 177.51 1k73 h ARG 93 N -0.38 0.59 -0.59 1.69 2.43 -1.95 -0.46 114.38 115.71 1k73 h ARG 93 Ca 0.02 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1k73 h ARG 93 Cb 0.39 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1k73 h ARG 93 CO -0.10 0.39 0.16 0.78 -1.51 0.00 0.00 179.97 179.70 1k73 h GLY 94 N 0.61 1.01 1.81 2.80 0.00 -1.53 -1.59 103.07 106.18 1k73 h GLY 94 Ca 0.26 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 1k73 h GLY 94 CO -0.16 0.58 -0.49 -0.09 0.00 0.00 0.00 176.54 176.37 1k73 h ARG 95 N 0.85 0.21 -0.18 4.80 2.43 -0.68 -1.14 114.38 120.67 1k73 h ARG 95 Ca 0.19 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1k73 h ARG 95 Cb 0.32 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1k73 h ARG 95 CO -0.00 0.66 0.06 0.93 -1.51 0.00 0.00 179.97 180.10 1k73 h GLU 96 N 0.17 0.27 0.15 0.20 5.08 -0.68 -1.55 114.58 118.22 1k73 h GLU 96 Ca 0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1k73 h GLU 96 Cb 0.93 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1k73 h GLU 96 CO 0.07 0.38 -0.07 0.00 -1.00 0.00 0.00 179.01 178.39 1k73 h ALA 97 N 0.88 -0.21 -0.99 3.43 0.00 -1.17 -2.48 119.26 118.72 1k73 h ALA 97 Ca 0.06 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1k73 h ALA 97 Cb 0.21 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 1k73 h ALA 97 CO -0.00 -0.56 0.62 0.35 0.00 0.00 0.00 179.25 179.66 1k73 h PHE 98 N -0.32 1.09 0.00 0.00 3.57 -1.21 0.18 116.94 120.26 1k73 h PHE 98 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1k73 h PHE 98 Cb 0.25 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1k73 h PHE 98 CO -0.03 0.40 0.00 0.39 -2.23 0.00 0.00 178.31 176.84 1k73 n GLU 99 N -4.63 0.10 -0.94 1.11 1.02 -0.59 -2.21 120.64 114.51 1k73 n GLU 99 Ca 0.19 0.21 -0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1k73 n GLU 99 Cb 0.40 -1.65 0.34 0.00 -0.02 0.00 0.00 31.44 30.51 1k73 n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1k73 n SER 100 N -1.83 5.07 -4.02 1.62 3.41 0.05 -4.86 113.62 113.05 1k73 n SER 100 Ca 0.05 -3.12 -0.23 0.00 -0.26 0.00 0.00 58.87 55.31 1k73 n SER 100 Cb 0.29 -0.71 -0.16 0.00 -0.26 0.00 0.00 64.21 63.37 1k73 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1k73 s VAL 101 N -2.92 0.99 -0.00 -3.33 1.01 -0.94 -1.78 120.40 113.43 1k73 s VAL 101 Ca 0.54 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1k73 s VAL 101 Cb 0.43 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1k73 s VAL 101 CO 0.14 0.31 0.00 -0.13 0.00 0.00 0.00 175.10 175.42 1k73 s ARG 102 N 0.37 0.03 -0.00 2.72 0.52 -0.85 -4.98 118.95 116.75 1k73 s ARG 102 Ca -0.07 0.02 -0.00 0.00 -0.52 0.00 0.00 55.73 55.15 1k73 s ARG 102 Cb -0.12 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.24 1k73 s ARG 102 CO 0.02 -0.02 0.09 0.08 0.02 0.00 0.00 175.30 175.49 1k73 s VAL 103 N 0.16 4.77 0.04 3.52 1.01 -1.26 -1.08 120.40 127.56 1k73 s VAL 103 Ca -0.01 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1k73 s VAL 103 Cb -0.02 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1k73 s VAL 103 CO -0.00 0.34 -0.11 -0.31 0.00 0.00 0.00 175.10 175.02 1k73 s TYR 104 N -1.21 0.94 -0.14 5.22 1.51 0.15 -4.91 117.35 118.92 1k73 s TYR 104 Ca 0.23 -0.38 -0.26 0.00 -1.01 0.00 0.00 57.07 55.65 1k73 s TYR 104 Cb -0.12 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.15 1k73 s TYR 104 CO 0.14 -0.00 0.86 -0.51 -1.11 0.00 0.00 175.55 174.93 1k73 s LEU 105 N -1.22 4.21 0.00 -1.29 1.43 -1.26 -1.84 118.68 118.71 1k73 s LEU 105 Ca -0.02 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1k73 s LEU 105 Cb -0.08 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1k73 s LEU 105 CO 0.01 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.82 1k73 n GLY 106 N 3.33 -0.21 2.73 -3.19 0.00 -1.26 -4.68 105.19 101.90 1k73 n GLY 106 Ca 0.05 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1k73 n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k73 s ASN 107 N -4.00 3.73 0.00 1.61 3.04 -1.26 0.08 114.94 118.14 1k73 s ASN 107 Ca 0.00 -1.40 0.31 0.00 0.04 0.00 0.00 52.86 51.80 1k73 s ASN 107 Cb 0.00 -0.78 1.85 0.00 -1.54 0.00 0.00 41.25 40.78 1k73 s ASN 107 CO 0.00 -0.38 2.17 -0.81 -3.04 0.00 0.00 177.10 175.04 1k73 n PRO 108 N 4.92 0.97 -2.71 0.43 -0.04 -1.26 -4.84 135.00 132.47 1k73 n PRO 108 Ca -0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.21 1k73 n PRO 108 Cb 0.43 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1k73 n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1k73 s TYR 109 N -2.00 2.82 -0.19 0.54 1.51 -1.26 -5.04 117.35 113.73 1k73 s TYR 109 Ca 0.46 -0.09 -0.23 0.00 -1.01 0.00 0.00 57.07 56.20 1k73 s TYR 109 Cb 0.21 -2.69 -0.21 0.00 -0.11 0.00 0.00 41.96 39.17 1k73 s TYR 109 CO 0.36 -0.81 0.35 -0.44 -1.11 0.00 0.00 175.55 173.90 1k73 h ASP 110 N 0.17 0.02 -4.16 2.29 3.32 -2.06 -3.46 116.42 112.53 1k73 h ASP 110 Ca -0.41 -0.63 -0.54 0.00 0.02 0.00 0.00 57.03 55.47 1k73 h ASP 110 Cb 1.29 -0.01 0.16 0.00 0.22 0.00 0.00 39.33 40.99 1k73 h ASP 110 CO 0.51 1.40 0.42 -1.61 -1.72 0.00 0.00 179.24 178.23 1k73 s GLU 111 N -2.34 2.23 -0.14 3.56 2.02 -1.26 -4.97 118.70 117.80 1k73 s GLU 111 Ca -0.26 1.84 -0.16 0.00 0.02 0.00 0.00 54.97 56.40 1k73 s GLU 111 Cb 0.04 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 1k73 s GLU 111 CO 0.62 -1.79 0.40 -0.51 0.02 0.00 0.00 175.26 174.00 1k73 s ASP 112 N -1.87 6.58 1.14 -0.19 1.11 -1.26 -5.03 116.67 117.15 1k73 s ASP 112 Ca 0.76 0.69 -0.12 0.00 0.18 0.00 0.00 52.55 54.06 1k73 s ASP 112 Cb -0.31 -2.24 0.27 0.00 1.07 0.00 0.00 42.92 41.71 1k73 s ASP 112 CO 0.44 0.04 1.04 -0.83 1.18 0.00 0.00 175.17 177.04 1k73 s GLY 113 N 0.56 1.56 0.27 0.21 0.00 -1.26 -5.01 107.32 103.65 1k73 s GLY 113 Ca 0.22 -0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.95 1k73 s GLY 113 CO 0.08 0.67 0.43 -1.83 0.00 0.00 0.00 173.10 172.45 1k73 s GLU 114 N -4.47 3.47 -0.25 2.90 -1.05 0.88 -4.52 118.70 115.67 1k73 s GLU 114 Ca 0.68 -0.51 -0.09 0.00 -0.15 0.00 0.00 54.97 54.90 1k73 s GLU 114 Cb -0.25 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.60 1k73 s GLU 114 CO 0.64 0.32 0.13 0.08 0.95 0.00 0.00 175.26 177.39 1k73 s VAL 115 N -2.07 4.96 0.52 1.83 1.01 -1.26 -1.08 120.40 124.30 1k73 s VAL 115 Ca 0.37 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 1k73 s VAL 115 Cb -0.10 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 1k73 s VAL 115 CO 0.32 0.32 1.09 -0.76 0.00 0.00 0.00 175.10 176.07 1k73 s LEU 116 N 1.41 3.80 0.27 3.92 1.43 -1.26 -4.98 118.68 123.27 1k73 s LEU 116 Ca 0.06 2.07 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 1k73 s LEU 116 Cb -0.15 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.41 1k73 s LEU 116 CO 0.06 -1.02 1.37 -1.81 0.23 0.00 0.00 176.35 175.19 1k73 s ASP 117 N -1.85 6.72 -1.01 2.29 1.01 -1.26 -3.26 116.67 119.31 1k73 s ASP 117 Ca 0.70 2.64 0.00 0.00 0.71 0.00 0.00 52.55 56.60 1k73 s ASP 117 Cb -0.21 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.09 1k73 s ASP 117 CO 0.24 -0.62 0.00 0.61 0.21 0.00 0.00 175.17 175.61 1k73 n GLY 118 N 1.70 0.66 0.00 0.21 0.00 -1.26 -4.87 105.19 101.62 1k73 n GLY 118 Ca 0.04 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.56 1k73 n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k73 n THR 119 N -3.25 0.00 -2.58 2.61 -2.24 -1.20 -4.96 114.28 102.66 1k73 n THR 119 Ca -0.11 -0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.05 1k73 n THR 119 Cb 0.45 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 1k73 n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1k73 s SER 120 N -1.84 7.41 -0.15 3.42 0.15 -1.26 0.10 113.70 121.53 1k73 s SER 120 Ca -0.00 2.15 -0.04 0.00 0.70 0.00 0.00 55.95 58.76 1k73 s SER 120 Cb 0.02 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1k73 s SER 120 CO 0.09 -0.03 -0.02 -0.22 1.20 0.00 0.00 173.24 174.26 1k73 s LEU 121 N -1.35 3.35 -0.58 3.45 2.96 0.46 -4.86 118.68 122.10 1k73 s LEU 121 Ca 0.43 -0.08 -0.25 0.00 -0.22 0.00 0.00 54.13 54.02 1k73 s LEU 121 Cb -0.30 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.63 1k73 s LEU 121 CO 0.38 0.19 1.00 -0.62 -1.32 0.00 0.00 176.35 175.97 1k73 s ASP 122 N 0.25 6.32 0.60 3.68 -1.08 -1.26 -4.88 116.67 120.30 1k73 s ASP 122 Ca -0.02 -0.38 0.31 0.00 -0.52 0.00 0.00 52.55 51.93 1k73 s ASP 122 Cb -0.14 -2.46 1.77 0.00 -1.46 0.00 0.00 42.92 40.64 1k73 s ASP 122 CO 0.02 -1.32 2.16 0.03 0.52 0.00 0.00 175.17 176.58 1k73 h ARG 123 N 9.42 0.00 0.00 4.34 3.08 -1.95 -0.86 114.38 128.40 1k73 h ARG 123 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1k73 h ARG 123 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1k73 h ARG 123 CO 1.12 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 179.95 1k73 h LEU 124 N 0.00 0.00 -3.00 3.04 3.38 -2.06 -3.16 115.31 113.51 1k73 h LEU 124 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1k73 h LEU 124 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1k73 h LEU 124 CO -0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1k73 n SER 125 N -2.93 2.31 -3.71 -0.43 3.41 -0.38 -4.99 113.62 106.90 1k73 n SER 125 Ca 0.03 -2.96 -0.14 0.00 -0.26 0.00 0.00 58.87 55.54 1k73 n SER 125 Cb 0.40 -0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 1k73 n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1k73 s ASN 126 N -2.65 0.07 -0.00 4.04 0.01 -0.92 -5.01 114.94 110.49 1k73 s ASN 126 Ca 0.28 0.42 0.01 0.00 -0.71 0.00 0.00 52.86 52.86 1k73 s ASN 126 Cb 0.25 0.35 -0.01 0.00 0.41 0.00 0.00 41.25 42.25 1k73 s ASN 126 CO 0.03 -0.19 0.01 -0.38 -1.51 0.00 0.00 177.10 175.06 1k73 n ILE 127 N 4.60 0.01 -3.25 0.60 5.41 -1.26 -4.71 119.36 120.76 1k73 n ILE 127 Ca -0.19 -0.02 -0.46 0.00 1.00 0.00 0.00 62.75 63.08 1k73 n ILE 127 Cb 0.51 0.02 -0.02 0.00 -0.71 0.00 0.00 39.64 39.44 1k73 n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1k73 s LYS 128 N -2.03 3.68 0.16 0.38 1.02 -1.26 -4.95 119.74 116.73 1k73 s LYS 128 Ca -0.00 -2.42 -0.25 0.00 0.02 0.00 0.00 55.97 53.32 1k73 s LYS 128 Cb 0.00 -4.54 0.06 0.00 -0.52 0.00 0.00 37.83 32.83 1k73 s LYS 128 CO 0.02 -1.38 0.87 -0.59 -0.92 0.00 0.00 175.35 173.35 1k73 s PHE 129 N 0.49 -0.20 0.07 3.18 -0.12 -1.16 -1.31 117.98 118.92 1k73 s PHE 129 Ca 0.22 -0.10 0.01 0.00 -0.05 0.00 0.00 56.93 57.01 1k73 s PHE 129 Cb -0.09 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 1k73 s PHE 129 CO -0.09 -0.88 -0.05 0.08 -0.05 0.00 0.00 175.22 174.23 1k73 s VAL 130 N -3.44 0.50 0.01 -2.49 1.01 -0.39 -4.82 120.40 110.78 1k73 s VAL 130 Ca 0.10 -1.72 -0.12 0.00 0.00 0.00 0.00 61.98 60.25 1k73 s VAL 130 Cb -0.02 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1k73 s VAL 130 CO 0.01 -0.82 0.37 -0.89 0.00 0.00 0.00 175.10 173.76 1k73 s THR 131 N -3.27 5.12 0.30 3.92 2.01 -1.26 -1.77 115.64 120.69 1k73 s THR 131 Ca 0.06 0.61 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 1k73 s THR 131 Cb 0.03 -3.65 0.27 0.00 0.01 0.00 0.00 72.50 69.16 1k73 s THR 131 CO -0.05 0.48 1.93 -0.07 -0.69 0.00 0.00 174.62 176.22 1k73 h LEU 132 N 4.37 0.94 -1.15 4.42 3.38 -1.38 -0.19 115.31 125.70 1k73 h LEU 132 Ca -0.51 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.51 1k73 h LEU 132 Cb 1.21 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1k73 h LEU 132 CO 0.63 0.64 0.58 1.23 0.09 0.00 0.00 178.44 181.61 1k73 h GLY 133 N 1.09 1.30 0.99 0.83 0.00 -1.56 -0.17 103.07 105.54 1k73 h GLY 133 Ca 0.36 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1k73 h GLY 133 CO -0.11 0.32 0.04 0.83 0.00 0.00 0.00 176.54 177.62 1k73 h GLU 134 N 1.04 0.82 -0.40 4.80 5.08 -1.34 -1.04 114.58 123.54 1k73 h GLU 134 Ca 0.38 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1k73 h GLU 134 Cb 0.15 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1k73 h GLU 134 CO -0.13 0.84 0.23 0.82 -1.00 0.00 0.00 179.01 179.77 1k73 h ILE 135 N 0.68 1.04 -0.45 3.13 2.04 -0.25 -1.57 117.51 122.13 1k73 h ILE 135 Ca 0.14 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 1k73 h ILE 135 Cb 0.44 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1k73 h ILE 135 CO 0.02 0.09 0.04 0.28 0.00 0.00 0.00 178.15 178.57 1k73 h SER 136 N 0.47 0.68 -0.80 1.72 0.02 -0.82 0.11 113.55 114.93 1k73 h SER 136 Ca 0.16 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1k73 h SER 136 Cb 0.01 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1k73 h SER 136 CO -0.07 0.72 0.32 -0.33 -1.14 0.00 0.00 176.83 176.33 1k73 h GLU 137 N 0.68 1.20 -0.56 3.45 5.08 -0.67 0.59 114.58 124.34 1k73 h GLU 137 Ca 0.14 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1k73 h GLU 137 Cb 0.37 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1k73 h GLU 137 CO 0.01 0.96 -0.08 1.15 -1.00 0.00 0.00 179.01 180.05 1k73 h THR 138 N 1.16 1.27 0.00 1.13 2.02 -0.41 -2.39 112.91 115.68 1k73 h THR 138 Ca 0.27 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1k73 h THR 138 Cb 0.21 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1k73 h THR 138 CO -0.02 0.44 0.00 -0.07 0.37 0.00 0.00 175.52 176.24 1k73 h LEU 139 N 0.94 0.00 0.00 2.58 3.38 -0.40 -3.46 115.31 118.36 1k73 h LEU 139 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1k73 h LEU 139 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1k73 h LEU 139 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1k73 n GLY 140 N -0.27 0.79 3.53 0.83 0.00 -0.79 -5.07 105.19 104.20 1k73 n GLY 140 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1k73 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k73 n ALA 141 N -1.17 -1.90 -2.53 4.61 0.00 0.13 -4.94 120.51 114.71 1k73 n ALA 141 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.36 1k73 n ALA 141 Cb 0.00 -1.97 -0.08 0.00 0.00 0.00 0.00 19.45 17.40 1k73 n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1k73 s ASN 142 N -2.31 6.24 -0.91 0.00 3.84 -1.26 -4.69 114.94 115.85 1k73 s ASN 142 Ca 0.62 -0.59 -0.26 0.00 0.21 0.00 0.00 52.86 52.83 1k73 s ASN 142 Cb -0.22 -2.26 -0.18 0.00 -0.55 0.00 0.00 41.25 38.04 1k73 s ASN 142 CO 0.63 -0.69 2.30 -0.75 -2.79 0.00 0.00 177.10 175.80 1k73 s LYS 143 N 2.43 1.39 -0.27 0.43 2.20 -1.26 -4.64 119.74 120.02 1k73 s LYS 143 Ca 0.16 0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.95 1k73 s LYS 143 Cb -0.16 -4.86 0.53 0.00 -1.51 0.00 0.00 37.83 31.83 1k73 s LYS 143 CO 0.15 -4.93 1.57 -2.37 -0.36 0.00 0.00 175.35 169.41 1k73 n THR 144 N 8.93 2.37 -0.97 3.43 5.66 -1.26 -5.22 114.28 127.22 1k73 n THR 144 Ca 0.45 -1.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.20 1k73 n THR 144 Cb 0.45 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 1k73 n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35