#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1k s TRP 2 N 0.00 3.68 0.16 0.66 1.48 -1.26 -5.07 118.94 118.59 1m1k s TRP 2 Ca 0.00 1.50 -0.09 0.00 -1.06 0.00 0.00 56.10 56.44 1m1k s TRP 2 Cb 0.00 -2.70 -0.06 0.00 -1.16 0.00 0.00 33.47 29.55 1m1k s TRP 2 CO 0.00 0.32 0.48 -0.51 -4.06 0.00 0.00 176.95 173.18 1m1k s ASP 3 N -1.60 6.64 -0.00 -2.66 1.01 -1.26 -5.03 116.67 113.76 1m1k s ASP 3 Ca 0.44 0.85 -0.24 0.00 0.71 0.00 0.00 52.55 54.31 1m1k s ASP 3 Cb -0.18 -2.20 -0.15 0.00 1.01 0.00 0.00 42.92 41.41 1m1k s ASP 3 CO 0.22 0.04 1.10 0.58 0.21 0.00 0.00 175.17 177.32 1m1k h VAL 4 N 2.35 0.44 -3.41 -1.27 2.07 -1.97 -3.39 116.25 111.07 1m1k h VAL 4 Ca -0.47 -0.56 -0.55 0.00 0.82 0.00 0.00 66.70 65.93 1m1k h VAL 4 Cb 1.18 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1m1k h VAL 4 CO 0.69 0.08 0.14 -0.63 0.02 0.00 0.00 177.57 177.86 1m1k s ILE 5 N -4.40 4.78 -0.25 4.57 1.01 -1.26 -1.42 121.20 124.23 1m1k s ILE 5 Ca -0.13 1.58 -0.12 0.00 0.00 0.00 0.00 60.65 61.97 1m1k s ILE 5 Cb 0.02 -4.09 -0.15 0.00 0.01 0.00 0.00 42.46 38.24 1m1k s ILE 5 CO 0.47 0.36 -0.17 0.29 0.00 0.00 0.00 174.94 175.89 1m1k n LYS 6 N 2.90 0.61 0.00 2.79 5.02 0.11 -4.91 118.16 124.67 1m1k n LYS 6 Ca -0.03 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1m1k n LYS 6 Cb 0.50 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1m1k n LYS 6 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1m1k n HIS 7 N -4.07 0.00 -2.20 2.13 1.44 -1.12 -5.00 115.22 106.40 1m1k n HIS 7 Ca -0.47 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 54.82 1m1k n HIS 7 Cb 0.87 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.95 1m1k n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1m1k s PRO 8 N -2.00 4.32 -0.90 -1.40 0.02 -1.26 -0.52 135.00 133.27 1m1k s PRO 8 Ca 0.00 2.03 -0.21 0.00 0.02 0.00 0.00 61.00 62.84 1m1k s PRO 8 Cb 0.00 -3.32 0.09 0.00 0.02 0.00 0.00 34.50 31.30 1m1k s PRO 8 CO 0.00 -0.45 1.20 -1.58 -0.33 0.00 0.00 177.00 175.84 1m1k s HIS 9 N 1.34 2.83 -0.38 6.54 2.46 0.15 -4.81 115.29 123.41 1m1k s HIS 9 Ca 0.64 -1.01 -0.16 0.00 0.47 0.00 0.00 55.06 55.00 1m1k s HIS 9 Cb -0.35 -4.42 0.00 0.00 -0.13 0.00 0.00 32.58 27.68 1m1k s HIS 9 CO 0.30 -1.68 0.39 0.54 -2.47 0.00 0.00 174.74 171.82 1m1k s VAL 10 N 3.76 5.14 0.12 0.89 0.11 -1.26 -4.60 120.40 124.55 1m1k s VAL 10 Ca 0.35 -0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 59.11 1m1k s VAL 10 Cb -0.06 -3.91 0.03 0.00 -1.53 0.00 0.00 36.38 30.91 1m1k s VAL 10 CO -0.05 -0.24 0.35 0.42 -3.33 0.00 0.00 175.10 172.26 1m1k s THR 11 N 2.05 0.09 0.27 5.04 -4.23 -1.26 -4.99 115.64 112.60 1m1k s THR 11 Ca 0.12 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1m1k s THR 11 Cb -0.17 -1.20 0.34 0.00 1.34 0.00 0.00 72.50 72.81 1m1k s THR 11 CO 0.12 -0.39 1.61 -0.33 -0.54 0.00 0.00 174.62 175.09 1m1k h GLU 12 N 2.45 0.07 -0.11 3.99 3.07 -1.99 0.99 114.58 123.05 1m1k h GLU 12 Ca -0.34 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.43 1m1k h GLU 12 Cb 1.24 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1m1k h GLU 12 CO 0.49 0.05 -0.32 -0.22 -1.40 0.00 0.00 179.01 177.61 1m1k h LYS 13 N 0.07 0.21 -0.34 2.33 3.64 -1.98 -2.37 116.57 118.14 1m1k h LYS 13 Ca 0.49 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.74 1m1k h LYS 13 Cb 0.93 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1m1k h LYS 13 CO -0.78 0.51 0.02 0.00 -2.27 0.00 0.00 179.45 176.93 1m1k h ALA 14 N 1.49 0.46 -0.22 5.00 0.00 0.59 -2.84 119.26 123.74 1m1k h ALA 14 Ca 0.03 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1m1k h ALA 14 Cb 0.66 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1m1k h ALA 14 CO 0.05 0.20 -0.16 0.52 0.00 0.00 0.00 179.25 179.86 1m1k h MET 15 N 0.41 -0.15 -0.82 0.00 2.86 -0.33 -1.54 114.93 115.36 1m1k h MET 15 Ca 0.10 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 1m1k h MET 15 Cb 0.42 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.06 1m1k h MET 15 CO 0.01 -0.10 0.53 -0.91 1.06 0.00 0.00 176.91 177.51 1m1k h ASN 16 N -0.15 0.73 -0.40 1.22 2.35 -1.36 0.40 115.58 118.36 1m1k h ASN 16 Ca 0.13 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 1m1k h ASN 16 Cb 0.34 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1m1k h ASN 16 CO -0.31 0.45 -0.29 0.44 -1.65 0.00 0.00 177.43 176.06 1m1k h ASP 17 N 0.82 0.96 0.13 5.81 5.19 -1.15 0.21 116.42 128.39 1m1k h ASP 17 Ca 0.37 -0.39 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1m1k h ASP 17 Cb 0.37 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1m1k h ASP 17 CO -0.14 1.18 -0.06 -0.03 -3.12 0.00 0.00 179.24 177.06 1m1k h MET 18 N 0.78 -0.17 -0.31 3.56 4.05 -0.12 0.38 114.93 123.10 1m1k h MET 18 Ca 0.09 0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.36 1m1k h MET 18 Cb 0.86 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 1m1k h MET 18 CO 0.08 0.18 -0.43 -0.44 0.23 0.00 0.00 176.91 176.53 1m1k h ASP 19 N -0.55 0.82 0.00 1.39 3.32 -0.32 -2.98 116.42 118.10 1m1k h ASP 19 Ca -0.02 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1m1k h ASP 19 Cb 0.43 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1m1k h ASP 19 CO 0.03 1.14 -1.99 0.49 -1.72 0.00 0.00 179.24 177.19 1m1k n PHE 20 N -4.03 0.00 -0.44 4.55 0.99 0.75 -4.66 117.46 114.62 1m1k n PHE 20 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1m1k n PHE 20 Cb 0.55 -0.51 0.00 0.00 -1.00 0.00 0.00 39.48 38.52 1m1k n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1m1k n GLN 21 N -2.26 1.25 -3.52 -1.08 6.02 0.12 -5.02 117.38 112.89 1m1k n GLN 21 Ca -0.05 -0.91 -0.20 0.00 -0.01 0.00 0.00 57.00 55.82 1m1k n GLN 21 Cb 0.58 -0.78 0.08 0.00 1.02 0.00 0.00 30.24 31.14 1m1k n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1m1k n ASN 22 N -0.23 -3.61 -4.27 1.08 5.15 -0.50 -4.79 115.26 108.09 1m1k n ASN 22 Ca 0.00 -0.61 -0.25 0.00 -0.60 0.00 0.00 54.58 53.12 1m1k n ASN 22 Cb 0.31 -4.98 -0.14 0.00 -0.53 0.00 0.00 39.78 34.44 1m1k n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1m1k s LYS 23 N -5.78 1.33 -0.06 1.20 1.02 -0.94 -1.28 119.74 115.23 1m1k s LYS 23 Ca 0.23 -1.01 0.04 0.00 0.02 0.00 0.00 55.97 55.25 1m1k s LYS 23 Cb -0.10 -1.50 -0.02 0.00 -0.52 0.00 0.00 37.83 35.69 1m1k s LYS 23 CO 0.74 0.37 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.84 1m1k s LEU 24 N -1.39 2.39 -0.13 3.17 1.43 0.23 -2.56 118.68 121.82 1m1k s LEU 24 Ca 0.07 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1m1k s LEU 24 Cb -0.09 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1m1k s LEU 24 CO 0.03 0.27 -0.05 -1.10 0.23 0.00 0.00 176.35 175.72 1m1k s GLN 25 N -0.31 3.41 0.19 1.70 -0.21 -1.26 -0.09 119.66 123.10 1m1k s GLN 25 Ca 0.02 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 54.93 1m1k s GLN 25 Cb -0.13 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.03 1m1k s GLN 25 CO 0.02 0.35 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.35 1m1k s PHE 26 N 0.05 1.64 -0.27 0.91 0.40 -0.17 0.31 117.98 120.85 1m1k s PHE 26 Ca -0.01 -0.59 -0.09 0.00 -0.60 0.00 0.00 56.93 55.64 1m1k s PHE 26 Cb -0.14 -0.78 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 1m1k s PHE 26 CO 0.03 0.31 0.14 0.00 0.70 0.00 0.00 175.22 176.40 1m1k s ALA 27 N -2.93 3.39 0.26 5.36 0.00 0.33 -1.59 121.76 126.57 1m1k s ALA 27 Ca 0.21 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1m1k s ALA 27 Cb -0.01 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 1m1k s ALA 27 CO 0.06 -0.51 -0.11 0.14 0.00 0.00 0.00 175.76 175.34 1m1k s VAL 28 N 1.67 1.83 0.26 0.00 -7.23 -0.03 0.10 120.40 116.99 1m1k s VAL 28 Ca 0.07 -2.20 -0.30 0.00 -1.81 0.00 0.00 61.98 57.74 1m1k s VAL 28 Cb -0.16 -2.30 -0.10 0.00 0.56 0.00 0.00 36.38 34.38 1m1k s VAL 28 CO 0.08 -0.41 1.49 -0.62 -0.31 0.00 0.00 175.10 175.33 1m1k s ASP 29 N -3.42 6.57 0.00 4.85 -1.08 -0.51 -3.13 116.67 119.95 1m1k s ASP 29 Ca 0.27 2.74 0.10 0.00 -0.52 0.00 0.00 52.55 55.15 1m1k s ASP 29 Cb 0.01 -2.63 0.60 0.00 -1.46 0.00 0.00 42.92 39.44 1m1k s ASP 29 CO 0.11 -0.76 1.02 -0.90 0.52 0.00 0.00 175.17 175.15 1m1k n ASP 30 N 2.35 0.00 -0.53 -0.34 5.75 -1.26 -1.78 116.55 120.74 1m1k n ASP 30 Ca 0.07 -0.49 0.11 0.00 -0.01 0.00 0.00 54.79 54.47 1m1k n ASP 30 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1m1k n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1m1k n ARG 31 N -0.89 1.34 -2.99 0.11 1.74 -1.26 -4.94 116.66 109.76 1m1k n ARG 31 Ca 0.07 -1.07 -0.40 0.00 -0.77 0.00 0.00 57.85 55.68 1m1k n ARG 31 Cb 0.03 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 29.96 1m1k n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1m1k s ALA 32 N -2.39 3.35 0.68 7.54 0.00 -0.73 -5.07 121.76 125.14 1m1k s ALA 32 Ca 0.19 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 1m1k s ALA 32 Cb 0.18 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 20.36 1m1k s ALA 32 CO 0.54 0.01 0.99 -1.54 0.00 0.00 0.00 175.76 175.75 1m1k s SER 33 N 0.24 4.91 0.17 0.00 1.04 -1.26 -4.88 113.70 113.92 1m1k s SER 33 Ca 0.39 0.44 -0.14 0.00 0.48 0.00 0.00 55.95 57.12 1m1k s SER 33 Cb -0.20 -1.13 0.11 0.00 0.10 0.00 0.00 66.02 64.90 1m1k s SER 33 CO 0.22 -1.52 1.77 0.11 0.98 0.00 0.00 173.24 174.80 1m1k h LYS 34 N -0.51 0.41 -0.42 4.02 1.57 -1.98 -1.18 116.57 118.48 1m1k h LYS 34 Ca -0.44 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.39 1m1k h LYS 34 Cb 1.31 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 1m1k h LYS 34 CO 0.60 0.27 0.02 0.78 -0.57 0.00 0.00 179.45 180.55 1m1k h GLY 35 N 0.42 0.44 1.01 3.86 0.00 -1.96 0.34 103.07 107.18 1m1k h GLY 35 Ca 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1m1k h GLY 35 CO -0.16 -0.09 0.38 0.83 0.00 0.00 0.00 176.54 177.50 1m1k h GLU 36 N 0.13 1.05 -0.81 4.80 5.08 -1.81 -0.76 114.58 122.26 1m1k h GLU 36 Ca 0.21 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1m1k h GLU 36 Cb 0.29 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1m1k h GLU 36 CO -0.33 0.80 0.36 0.28 -1.00 0.00 0.00 179.01 179.13 1m1k h VAL 37 N 1.03 1.26 -0.04 3.13 2.07 -0.05 -0.71 116.25 122.92 1m1k h VAL 37 Ca 0.26 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1m1k h VAL 37 Cb 0.08 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1m1k h VAL 37 CO -0.04 0.32 0.02 0.00 0.02 0.00 0.00 177.57 177.89 1m1k h ALA 38 N 1.19 0.06 0.61 1.67 0.00 0.48 -2.28 119.26 120.98 1m1k h ALA 38 Ca 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1m1k h ALA 38 Cb 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1m1k h ALA 38 CO -0.03 -0.38 -0.29 -0.44 0.00 0.00 0.00 179.25 178.11 1m1k h ASP 39 N -0.06 -0.69 -0.82 0.00 3.32 -0.85 -2.30 116.42 115.02 1m1k h ASP 39 Ca 0.02 -0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.26 1m1k h ASP 39 Cb 0.13 0.18 -0.13 0.00 0.22 0.00 0.00 39.33 39.72 1m1k h ASP 39 CO -0.00 -0.44 0.17 0.00 -1.72 0.00 0.00 179.24 177.25 1m1k h ALA 40 N -0.55 1.10 -0.51 3.45 0.00 -1.17 0.05 119.26 121.62 1m1k h ALA 40 Ca -0.08 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1m1k h ALA 40 Cb 0.66 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1m1k h ALA 40 CO 0.14 -0.42 0.32 0.28 0.00 0.00 0.00 179.25 179.56 1m1k h VAL 41 N 0.20 1.15 0.17 0.00 2.07 -1.25 -1.41 116.25 117.19 1m1k h VAL 41 Ca 0.49 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1m1k h VAL 41 Cb 0.94 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1m1k h VAL 41 CO -0.63 0.15 -0.08 -0.33 0.02 0.00 0.00 177.57 176.70 1m1k h GLU 42 N 0.69 -0.22 -0.17 1.57 5.08 -0.46 -2.16 114.58 118.91 1m1k h GLU 42 Ca 0.19 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1m1k h GLU 42 Cb -0.03 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1m1k h GLU 42 CO -0.04 -0.01 0.12 0.93 -1.00 0.00 0.00 179.01 179.01 1m1k h GLU 43 N -0.39 0.17 0.00 2.33 5.08 -1.13 0.91 114.58 121.56 1m1k h GLU 43 Ca -0.02 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 1m1k h GLU 43 Cb 0.31 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1m1k h GLU 43 CO 0.04 0.12 -1.03 1.96 -1.00 0.00 0.00 179.01 179.09 1m1k h GLN 44 N 0.18 0.00 0.00 2.33 1.08 -1.12 -3.37 115.11 114.21 1m1k h GLN 44 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1m1k h GLN 44 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1m1k h GLN 44 CO -0.01 0.72 0.00 0.66 -0.95 0.00 0.00 178.83 179.24 1m1k n TYR 45 N -3.22 0.00 -3.21 2.96 4.02 -0.82 -5.04 117.16 111.84 1m1k n TYR 45 Ca -0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.76 1m1k n TYR 45 Cb 0.90 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.25 1m1k n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1m1k n ASP 46 N -0.42 -7.00 -2.34 7.72 -0.08 0.31 -5.04 116.55 109.70 1m1k n ASP 46 Ca 0.00 -0.48 -0.12 0.00 -1.51 0.00 0.00 54.79 52.68 1m1k n ASP 46 Cb 0.00 -5.08 -0.05 0.00 2.34 0.00 0.00 41.12 38.34 1m1k n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1m1k n VAL 47 N -2.69 0.00 -4.05 5.18 0.24 -1.22 -5.08 118.33 110.71 1m1k n VAL 47 Ca -0.05 -1.44 -0.33 0.00 -2.04 0.00 0.00 64.34 60.48 1m1k n VAL 47 Cb 0.57 0.71 -0.15 0.00 -1.47 0.00 0.00 33.84 33.51 1m1k n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1m1k s THR 48 N -2.79 2.28 -0.35 3.34 2.01 -1.26 -4.68 115.64 114.18 1m1k s THR 48 Ca 0.23 -1.49 -0.27 0.00 0.31 0.00 0.00 61.69 60.47 1m1k s THR 48 Cb 0.01 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.26 1m1k s THR 48 CO 0.16 0.05 0.98 -0.69 -0.69 0.00 0.00 174.62 174.43 1m1k s VAL 49 N 1.15 4.55 -0.03 3.82 1.01 -1.26 -1.01 120.40 128.63 1m1k s VAL 49 Ca -0.06 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.18 1m1k s VAL 49 Cb -0.19 -4.37 -0.32 0.00 0.00 0.00 0.00 36.38 31.50 1m1k s VAL 49 CO -0.06 -0.53 0.74 -0.33 0.00 0.00 0.00 175.10 174.92 1m1k h GLU 50 N 8.37 0.43 -2.47 2.72 4.39 -1.10 -3.47 114.58 123.44 1m1k h GLU 50 Ca -0.22 -0.74 -0.08 0.00 0.34 0.00 0.00 59.36 58.66 1m1k h GLU 50 Cb 1.07 0.27 -0.19 0.00 -0.10 0.00 0.00 28.75 29.81 1m1k h GLU 50 CO 1.00 1.35 0.01 -1.14 -1.16 0.00 0.00 179.01 179.08 1m1k s GLN 51 N -2.58 0.93 -0.08 2.33 0.74 -1.14 -5.00 119.66 114.86 1m1k s GLN 51 Ca -0.15 0.02 0.01 0.00 0.05 0.00 0.00 55.36 55.30 1m1k s GLN 51 Cb 0.05 0.43 0.02 0.00 1.10 0.00 0.00 33.01 34.61 1m1k s GLN 51 CO 0.87 -0.29 -0.10 0.08 -0.55 0.00 0.00 175.29 175.31 1m1k s VAL 52 N -1.48 1.01 -0.07 1.34 1.01 -1.26 -1.11 120.40 119.84 1m1k s VAL 52 Ca -0.11 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1m1k s VAL 52 Cb -0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1m1k s VAL 52 CO 0.06 0.34 -0.20 0.20 0.00 0.00 0.00 175.10 175.50 1m1k s ASN 53 N 1.00 3.53 0.35 3.32 0.01 -0.52 -4.96 114.94 117.67 1m1k s ASN 53 Ca -0.09 -0.39 0.09 0.00 -0.71 0.00 0.00 52.86 51.77 1m1k s ASN 53 Cb -0.15 -1.03 -0.06 0.00 0.41 0.00 0.00 41.25 40.42 1m1k s ASN 53 CO -0.00 0.25 -0.04 0.42 -1.51 0.00 0.00 177.10 176.22 1m1k s THR 54 N -0.18 2.41 -0.29 1.60 -4.23 -1.26 0.04 115.64 113.73 1m1k s THR 54 Ca -0.02 -2.08 -0.14 0.00 -1.18 0.00 0.00 61.69 58.27 1m1k s THR 54 Cb -0.14 -2.73 0.12 0.00 1.34 0.00 0.00 72.50 71.09 1m1k s THR 54 CO 0.03 -0.19 0.78 -1.58 -0.54 0.00 0.00 174.62 173.12 1m1k s GLN 55 N -3.67 0.55 -0.50 3.99 0.74 -0.24 -4.98 119.66 115.55 1m1k s GLN 55 Ca 0.34 1.10 -0.23 0.00 0.05 0.00 0.00 55.36 56.61 1m1k s GLN 55 Cb 0.02 0.36 0.04 0.00 1.10 0.00 0.00 33.01 34.52 1m1k s GLN 55 CO 0.18 -0.14 0.86 -0.80 -0.55 0.00 0.00 175.29 174.83 1m1k s ASN 56 N 2.02 6.37 0.52 6.67 0.01 -1.26 0.13 114.94 129.40 1m1k s ASN 56 Ca -0.08 -0.26 -0.17 0.00 -0.71 0.00 0.00 52.86 51.64 1m1k s ASN 56 Cb -0.07 -2.41 -0.07 0.00 0.41 0.00 0.00 41.25 39.11 1m1k s ASN 56 CO -0.18 -1.07 1.01 -0.89 -1.51 0.00 0.00 177.10 174.46 1m1k s THR 57 N 3.57 4.25 -1.36 1.60 2.01 0.19 -4.94 115.64 120.97 1m1k s THR 57 Ca 0.30 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.44 1m1k s THR 57 Cb -0.13 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1m1k s THR 57 CO 0.21 -0.55 0.45 0.23 -0.69 0.00 0.00 174.62 174.26 1m1k n MET 58 N -1.54 0.66 -0.00 4.92 2.81 -1.26 -1.48 117.12 121.23 1m1k n MET 58 Ca 0.07 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.04 1m1k n MET 58 Cb 0.54 -1.21 -0.10 0.00 -0.71 0.00 0.00 33.22 31.74 1m1k n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1m1k n ASP 59 N -0.07 0.90 0.00 7.83 10.43 -1.26 -4.97 116.55 129.40 1m1k n ASP 59 Ca 0.00 -0.64 0.00 0.00 2.57 0.00 0.00 54.79 56.72 1m1k n ASP 59 Cb 0.11 1.19 0.00 0.00 1.84 0.00 0.00 41.12 44.25 1m1k n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1m1k n GLY 60 N 1.42 0.45 3.70 0.44 0.00 -0.55 -5.08 105.19 105.57 1m1k n GLY 60 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1m1k n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m1k s GLU 61 N -0.82 2.10 -0.12 1.61 2.02 -1.26 -4.94 118.70 117.30 1m1k s GLU 61 Ca 0.00 -2.05 -0.03 0.00 0.02 0.00 0.00 54.97 52.91 1m1k s GLU 61 Cb 0.00 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.43 1m1k s GLU 61 CO 0.00 -0.14 0.02 0.21 0.02 0.00 0.00 175.26 175.36 1m1k s LYS 62 N -3.83 3.30 -0.11 1.61 2.20 -1.18 -0.64 119.74 121.10 1m1k s LYS 62 Ca 0.33 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 1m1k s LYS 62 Cb 0.06 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 1m1k s LYS 62 CO 0.18 0.56 -0.12 0.21 -0.36 0.00 0.00 175.35 175.82 1m1k s LYS 63 N -0.47 3.13 -0.09 4.03 2.20 0.12 -0.85 119.74 127.81 1m1k s LYS 63 Ca 0.09 -0.66 0.03 0.00 -0.36 0.00 0.00 55.97 55.07 1m1k s LYS 63 Cb -0.12 -2.59 0.01 0.00 -1.51 0.00 0.00 37.83 33.61 1m1k s LYS 63 CO 0.02 0.37 -0.19 0.00 -0.36 0.00 0.00 175.35 175.18 1m1k s ALA 64 N -0.04 1.86 -0.45 3.13 0.00 -0.62 -1.08 121.76 124.56 1m1k s ALA 64 Ca -0.02 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 1m1k s ALA 64 Cb -0.14 -0.75 0.06 0.00 0.00 0.00 0.00 23.12 22.29 1m1k s ALA 64 CO 0.04 0.18 0.36 0.08 0.00 0.00 0.00 175.76 176.41 1m1k s VAL 65 N 0.54 5.14 -0.23 0.00 1.01 0.11 -1.00 120.40 125.96 1m1k s VAL 65 Ca -0.16 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.75 1m1k s VAL 65 Cb -0.17 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1m1k s VAL 65 CO 0.06 -0.51 0.06 -0.69 0.00 0.00 0.00 175.10 174.02 1m1k s VAL 66 N 1.63 4.35 -0.13 2.92 1.01 0.88 -1.44 120.40 129.62 1m1k s VAL 66 Ca 0.04 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1m1k s VAL 66 Cb -0.23 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1m1k s VAL 66 CO 0.07 0.36 0.28 -0.60 0.00 0.00 0.00 175.10 175.22 1m1k s ARG 67 N 1.37 4.09 0.35 2.72 3.52 -0.27 0.78 118.95 131.52 1m1k s ARG 67 Ca 0.05 0.10 0.04 0.00 -0.13 0.00 0.00 55.73 55.79 1m1k s ARG 67 Cb -0.15 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1m1k s ARG 67 CO 0.03 0.39 0.51 -0.51 -0.81 0.00 0.00 175.30 174.92 1m1k s LEU 68 N 0.01 3.95 0.54 -0.88 1.43 -0.40 -0.56 118.68 122.77 1m1k s LEU 68 Ca 0.17 0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.17 1m1k s LEU 68 Cb -0.13 -2.95 -0.06 0.00 0.03 0.00 0.00 46.19 43.07 1m1k s LEU 68 CO 0.05 -0.42 1.02 -0.94 0.23 0.00 0.00 176.35 176.29 1m1k s SER 69 N -4.13 6.25 0.30 2.29 1.04 -0.18 -4.66 113.70 114.61 1m1k s SER 69 Ca 0.43 1.72 0.12 0.00 0.48 0.00 0.00 55.95 58.70 1m1k s SER 69 Cb -0.10 -2.53 0.65 0.00 0.10 0.00 0.00 66.02 64.14 1m1k s SER 69 CO 0.33 -0.85 1.25 -0.62 0.98 0.00 0.00 173.24 174.34 1m1k n GLU 70 N -1.66 0.08 0.13 4.02 1.02 -1.26 0.96 120.64 123.94 1m1k n GLU 70 Ca 0.08 0.55 0.01 0.00 -0.02 0.00 0.00 57.16 57.78 1m1k n GLU 70 Cb 0.53 -2.07 0.06 0.00 -0.02 0.00 0.00 31.44 29.95 1m1k n GLU 70 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1m1k h ASP 71 N 0.00 0.00 -2.18 1.62 1.82 -1.95 -3.45 116.42 112.27 1m1k h ASP 71 Ca 0.00 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 56.14 1m1k h ASP 71 Cb 0.61 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.57 1m1k h ASP 71 CO 0.00 0.58 -0.52 -1.81 -1.61 0.00 0.00 179.24 175.88 1m1k s ASP 72 N -6.51 5.51 -0.24 2.28 1.01 0.27 -5.08 116.67 113.91 1m1k s ASP 72 Ca 0.02 -0.26 0.01 0.00 0.71 0.00 0.00 52.55 53.03 1m1k s ASP 72 Cb 0.09 -1.39 0.06 0.00 1.01 0.00 0.00 42.92 42.69 1m1k s ASP 72 CO 0.75 -0.05 -0.05 -0.62 0.21 0.00 0.00 175.17 175.41 1m1k s ASP 73 N -3.85 3.86 0.19 0.27 -1.08 -1.26 -4.71 116.67 110.10 1m1k s ASP 73 Ca 0.33 -1.20 -0.13 0.00 -0.52 0.00 0.00 52.55 51.03 1m1k s ASP 73 Cb -0.08 -1.17 0.22 0.00 -1.46 0.00 0.00 42.92 40.43 1m1k s ASP 73 CO 0.25 -0.24 1.68 0.00 0.52 0.00 0.00 175.17 177.38 1m1k h ALA 74 N 7.95 0.53 -0.87 3.66 0.00 -1.84 -1.53 119.26 127.16 1m1k h ALA 74 Ca -0.17 0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.09 1m1k h ALA 74 Cb 1.07 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 1m1k h ALA 74 CO 0.41 -0.38 0.36 1.96 0.00 0.00 0.00 179.25 181.61 1m1k h GLN 75 N 0.13 0.38 0.04 0.00 4.20 -1.94 -0.96 115.11 116.97 1m1k h GLN 75 Ca 0.27 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 1m1k h GLN 75 Cb 0.42 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1m1k h GLN 75 CO -0.44 0.25 -0.02 0.93 -0.67 0.00 0.00 178.83 178.89 1m1k h GLU 76 N 0.39 -0.05 -0.91 1.46 5.08 -1.77 -2.44 114.58 116.34 1m1k h GLU 76 Ca 0.53 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 59.05 1m1k h GLU 76 Cb 0.98 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.17 1m1k h GLU 76 CO -0.52 0.58 0.58 0.28 -1.00 0.00 0.00 179.01 178.94 1m1k h VAL 77 N -0.75 0.80 0.00 3.13 2.07 -0.88 -0.66 116.25 119.96 1m1k h VAL 77 Ca -0.01 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1m1k h VAL 77 Cb 0.65 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1m1k h VAL 77 CO 0.01 0.12 -0.31 0.00 0.02 0.00 0.00 177.57 177.41 1m1k h ALA 78 N 1.60 0.81 0.00 1.67 0.00 -1.22 -3.32 119.26 118.81 1m1k h ALA 78 Ca 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1m1k h ALA 78 Cb 0.81 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1m1k h ALA 78 CO -0.22 0.36 -0.10 0.66 0.00 0.00 0.00 179.25 179.95 1m1k h SER 79 N 0.00 0.00 -0.09 0.00 4.64 -0.60 -3.08 113.55 114.42 1m1k h SER 79 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m1k h SER 79 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1m1k h SER 79 CO 0.04 0.10 0.00 -2.11 -0.87 0.00 0.00 176.83 173.99 1m1k n ARG 80 N -3.24 1.38 0.00 4.77 1.85 -1.20 -5.10 116.66 115.12 1m1k n ARG 80 Ca 0.00 -0.57 0.00 0.00 -1.00 0.00 0.00 57.85 56.29 1m1k n ARG 80 Cb 0.37 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 1m1k n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06