#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hsm n ALA 4 N 0.00 0.00 -1.68 5.41 0.00 -1.26 -5.06 120.51 117.92 1hsm n ALA 4 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.86 1hsm n ALA 4 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1hsm n ALA 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1hsm n PRO 5 N 0.00 1.05 -0.14 0.00 -0.02 -1.26 -4.97 135.00 129.66 1hsm n PRO 5 Ca 0.00 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1hsm n PRO 5 Cb 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1hsm n PRO 5 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1hsm n LYS 6 N 5.60 1.91 -3.91 -0.52 5.02 -1.26 -4.93 118.16 120.06 1hsm n LYS 6 Ca 0.29 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.25 1hsm n LYS 6 Cb 0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.08 1hsm n LYS 6 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1hsm s ARG 7 N 0.95 3.43 0.24 1.97 0.52 -1.26 -4.92 118.95 119.88 1hsm s ARG 7 Ca 0.00 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 1hsm s ARG 7 Cb 0.00 -3.07 0.05 0.00 0.52 0.00 0.00 34.95 32.45 1hsm s ARG 7 CO 0.00 0.65 0.33 -0.35 0.02 0.00 0.00 175.30 175.95 1hsm n PRO 8 N 0.71 0.51 -0.35 3.54 -0.04 -1.26 -5.10 135.00 133.00 1hsm n PRO 8 Ca -0.09 -1.00 -0.14 0.00 -0.04 0.00 0.00 63.50 62.24 1hsm n PRO 8 Cb 0.52 -0.19 0.01 0.00 -0.04 0.00 0.00 33.50 33.80 1hsm n PRO 8 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1hsm n PRO 9 N -1.59 0.00 -0.02 0.54 -0.04 -1.26 -4.93 135.00 127.70 1hsm n PRO 9 Ca 0.06 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 1hsm n PRO 9 Cb 0.21 -0.35 -0.02 0.00 -0.04 0.00 0.00 33.50 33.29 1hsm n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1hsm n SER 10 N 1.24 4.14 0.00 3.54 7.64 -1.26 -4.84 113.62 124.07 1hsm n SER 10 Ca -0.01 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1hsm n SER 10 Cb 0.26 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1hsm n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hsm n ALA 11 N -2.19 0.00 0.05 -0.43 0.00 -1.26 -4.80 120.51 111.87 1hsm n ALA 11 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 1hsm n ALA 11 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 1hsm n ALA 11 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1hsm h PHE 12 N 0.00 -0.03 -0.63 0.00 3.57 -1.95 -2.86 116.94 115.04 1hsm h PHE 12 Ca 0.00 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.69 1hsm h PHE 12 Cb 0.00 0.01 -0.12 0.00 2.79 0.00 0.00 35.95 38.64 1hsm h PHE 12 CO 0.00 -0.02 0.06 0.34 -2.23 0.00 0.00 178.31 176.46 1hsm n PHE 13 N -5.11 0.45 0.26 0.41 -0.00 -1.26 -0.00 117.46 112.21 1hsm n PHE 13 Ca -0.07 0.76 -0.11 0.00 -0.00 0.00 0.00 57.45 58.03 1hsm n PHE 13 Cb 0.05 -1.00 -0.05 0.00 -0.00 0.00 0.00 39.48 38.47 1hsm n PHE 13 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1hsm h LEU 14 N 0.00 -0.60 -1.08 -2.13 -0.00 -1.86 -1.27 115.31 108.37 1hsm h LEU 14 Ca 0.40 0.02 0.28 0.00 -0.00 0.00 0.00 57.88 58.59 1hsm h LEU 14 Cb 0.88 0.15 -0.13 0.00 -0.00 0.00 0.00 40.66 41.57 1hsm h LEU 14 CO -0.58 -0.24 0.61 0.15 -0.00 0.00 0.00 178.44 178.38 1hsm h PHE 15 N -1.07 0.91 0.53 1.13 3.57 -0.94 -0.77 116.94 120.30 1hsm h PHE 15 Ca -0.07 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1hsm h PHE 15 Cb 0.54 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.03 1hsm h PHE 15 CO 0.02 -0.02 -0.26 0.00 -2.23 0.00 0.00 178.31 175.82 1hsm h SER 17 N -0.93 -0.58 -0.74 0.00 0.02 0.08 0.22 113.55 111.61 1hsm h SER 17 Ca -0.07 0.17 0.19 0.00 -0.84 0.00 0.00 61.79 61.24 1hsm h SER 17 Cb 0.62 0.37 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1hsm h SER 17 CO 0.12 -0.20 0.52 -0.08 -1.14 0.00 0.00 176.83 176.05 1hsm h GLU 18 N -0.03 0.15 0.05 3.45 4.81 -1.35 -3.10 114.58 118.57 1hsm h GLU 18 Ca 0.26 -0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 59.12 1hsm h GLU 18 Cb 0.43 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1hsm h GLU 18 CO -0.58 0.10 -2.06 0.66 -0.73 0.00 0.00 179.01 176.40 1hsm n TYR 19 N -4.39 0.68 -0.00 0.92 4.02 0.14 -4.58 117.16 113.95 1hsm n TYR 19 Ca 0.15 0.19 -0.00 0.00 -0.01 0.00 0.00 57.90 58.23 1hsm n TYR 19 Cb 0.71 -1.08 -0.00 0.00 -0.02 0.00 0.00 39.34 38.94 1hsm n TYR 19 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1hsm n ARG 20 N -3.74 -0.00 0.31 -0.72 0.63 0.56 0.23 116.66 113.92 1hsm n ARG 20 Ca -0.39 0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 56.42 1hsm n ARG 20 Cb 0.93 -0.01 -0.06 0.00 0.45 0.00 0.00 32.46 33.77 1hsm n ARG 20 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1hsm h PRO 21 N 0.00 -0.76 -0.82 -0.14 0.13 -1.84 -2.81 132.00 125.76 1hsm h PRO 21 Ca 0.00 0.05 0.34 0.00 -0.87 0.00 0.00 66.00 65.53 1hsm h PRO 21 Cb 0.00 0.17 -0.15 0.00 0.13 0.00 0.00 31.00 31.16 1hsm h PRO 21 CO -0.00 -0.51 0.44 1.17 -0.23 0.00 0.00 178.00 178.87 1hsm n LYS 22 N -4.23 -0.05 -0.02 0.86 4.81 0.13 -0.11 118.16 119.56 1hsm n LYS 22 Ca -0.10 1.13 0.04 0.00 -0.87 0.00 0.00 58.31 58.51 1hsm n LYS 22 Cb 0.31 -2.02 -0.14 0.00 0.02 0.00 0.00 35.03 33.20 1hsm n LYS 22 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1hsm n ILE 23 N -4.84 0.59 0.18 3.15 -5.35 -0.71 -2.86 119.36 109.51 1hsm n ILE 23 Ca 0.31 -0.63 0.06 0.00 -0.27 0.00 0.00 62.75 62.22 1hsm n ILE 23 Cb 1.05 -0.25 0.23 0.00 -1.74 0.00 0.00 39.64 38.94 1hsm n ILE 23 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1hsm h LYS 24 N 0.00 0.00 0.14 6.28 3.64 -0.61 0.22 116.57 126.24 1hsm h LYS 24 Ca -0.17 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.85 1hsm h LYS 24 Cb 1.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1hsm h LYS 24 CO 0.01 0.37 -1.95 0.78 -2.27 0.00 0.00 179.45 176.39 1hsm h GLY 25 N 2.76 0.33 1.91 5.01 0.00 -0.64 -2.99 103.07 109.46 1hsm h GLY 25 Ca -0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 47.33 46.31 1hsm h GLY 25 CO 0.05 0.74 -0.78 0.83 0.00 0.00 0.00 176.54 177.37 1hsm h GLU 26 N 0.07 0.08 -2.34 4.80 4.39 -1.53 -3.35 114.58 116.71 1hsm h GLU 26 Ca -0.41 -0.08 -0.59 0.00 0.34 0.00 0.00 59.36 58.62 1hsm h GLU 26 Cb 2.04 0.02 -0.41 0.00 -0.10 0.00 0.00 28.75 30.30 1hsm h GLU 26 CO 0.10 0.82 -0.76 0.72 -1.16 0.00 0.00 179.01 178.73 1hsm n HIS 27 N -3.66 2.06 -0.10 4.33 8.25 0.77 -4.95 115.22 121.91 1hsm n HIS 27 Ca -0.02 -3.94 0.00 0.00 -0.26 0.00 0.00 57.72 53.50 1hsm n HIS 27 Cb 0.75 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1hsm n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1hsm n PRO 28 N 1.43 0.90 -0.04 -0.41 -0.04 -1.13 -2.92 135.00 132.78 1hsm n PRO 28 Ca 0.26 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.73 1hsm n PRO 28 Cb 0.44 -1.05 0.01 0.00 -0.04 0.00 0.00 33.50 32.86 1hsm n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hsm n GLY 29 N 1.29 0.65 3.73 0.55 0.00 -1.26 -5.06 105.19 105.09 1hsm n GLY 29 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1hsm n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hsm s LEU 30 N -0.70 3.33 0.51 0.99 1.43 -1.15 -5.09 118.68 117.99 1hsm s LEU 30 Ca 0.03 -0.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1hsm s LEU 30 Cb 0.02 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1hsm s LEU 30 CO 0.00 -0.21 0.22 -0.44 0.23 0.00 0.00 176.35 176.16 1hsm s SER 31 N -3.82 4.41 0.00 2.29 0.01 -1.26 -4.87 113.70 110.47 1hsm s SER 31 Ca 0.36 -1.36 0.06 0.00 1.31 0.00 0.00 55.95 56.32 1hsm s SER 31 Cb -0.04 0.29 0.25 0.00 0.21 0.00 0.00 66.02 66.73 1hsm s SER 31 CO 0.23 -0.91 1.18 0.00 0.41 0.00 0.00 173.24 174.14 1hsm n ILE 32 N -1.49 1.55 0.79 1.44 0.13 -1.26 -0.79 119.36 119.74 1hsm n ILE 32 Ca -0.08 0.39 0.09 0.00 -1.10 0.00 0.00 62.75 62.05 1hsm n ILE 32 Cb 0.65 -1.29 -0.02 0.00 -0.84 0.00 0.00 39.64 38.15 1hsm n ILE 32 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1hsm n GLY 33 N -0.89 -0.11 0.28 4.50 0.00 -1.26 -3.62 105.19 104.09 1hsm n GLY 33 Ca 0.01 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1hsm n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hsm n ASP 34 N -0.30 1.83 0.25 1.61 8.00 -0.10 -2.61 116.55 125.23 1hsm n ASP 34 Ca 0.07 0.11 0.09 0.00 0.71 0.00 0.00 54.79 55.77 1hsm n ASP 34 Cb 0.36 -0.47 0.62 0.00 -0.02 0.00 0.00 41.12 41.61 1hsm n ASP 34 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1hsm h VAL 35 N -0.44 0.91 0.16 2.53 2.07 -1.18 0.20 116.25 120.50 1hsm h VAL 35 Ca -0.47 -0.47 -0.36 0.00 0.82 0.00 0.00 66.70 66.23 1hsm h VAL 35 Cb 1.51 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1hsm h VAL 35 CO -0.21 0.12 -1.83 0.00 0.02 0.00 0.00 177.57 175.67 1hsm h ALA 36 N 1.87 0.25 -0.28 1.67 0.00 -1.75 -3.05 119.26 117.98 1hsm h ALA 36 Ca -0.00 -1.23 -0.03 0.00 0.00 0.00 0.00 54.91 53.65 1hsm h ALA 36 Cb 0.25 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1hsm h ALA 36 CO 0.02 1.12 0.05 -0.22 0.00 0.00 0.00 179.25 180.22 1hsm h LYS 37 N 0.08 0.45 0.88 0.00 3.64 -1.11 0.31 116.57 120.82 1hsm h LYS 37 Ca -0.37 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1hsm h LYS 37 Cb 2.07 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.84 1hsm h LYS 37 CO 0.14 0.56 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.24 1hsm h LYS 38 N 0.27 -1.14 -0.28 1.90 3.64 -0.80 -1.89 116.57 118.27 1hsm h LYS 38 Ca 0.08 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1hsm h LYS 38 Cb 0.32 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1hsm h LYS 38 CO 0.00 -0.76 0.08 1.25 -2.27 0.00 0.00 179.45 177.76 1hsm h LEU 39 N -1.29 0.36 -0.48 5.20 5.85 -1.60 -1.68 115.31 121.67 1hsm h LEU 39 Ca -0.12 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.64 1hsm h LEU 39 Cb 0.91 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 1hsm h LEU 39 CO 0.20 0.36 0.13 1.23 -0.34 0.00 0.00 178.44 180.01 1hsm h GLY 40 N 0.59 0.61 0.92 3.75 0.00 -0.04 0.11 103.07 109.00 1hsm h GLY 40 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1hsm h GLY 40 CO -0.01 -0.03 -0.12 0.83 0.00 0.00 0.00 176.54 177.22 1hsm h GLU 41 N 0.28 -0.28 -0.54 4.80 5.08 -0.52 -1.82 114.58 121.58 1hsm h GLU 41 Ca 0.23 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.71 1hsm h GLU 41 Cb 0.28 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.49 1hsm h GLU 41 CO -0.28 -0.19 -0.31 0.52 -1.00 0.00 0.00 179.01 177.75 1hsm h MET 42 N -0.29 -0.16 -0.43 2.33 2.86 -0.64 -0.01 114.93 118.58 1hsm h MET 42 Ca -0.01 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1hsm h MET 42 Cb 0.25 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.85 1hsm h MET 42 CO 0.01 -0.11 -0.31 2.35 1.06 0.00 0.00 176.91 179.91 1hsm h TRP 43 N -0.17 -0.84 -0.78 -0.22 2.91 -0.50 0.47 115.95 116.82 1hsm h TRP 43 Ca 0.22 0.06 0.14 0.00 1.13 0.00 0.00 58.89 60.44 1hsm h TRP 43 Cb 0.54 0.43 -0.09 0.00 -0.51 0.00 0.00 29.16 29.53 1hsm h TRP 43 CO -0.59 -0.37 0.34 -0.91 -1.03 0.00 0.00 178.44 175.88 1hsm h ASN 44 N -0.22 0.36 -1.73 2.65 2.35 -0.19 -1.69 115.58 117.11 1hsm h ASN 44 Ca 0.19 0.10 -0.68 0.00 -0.55 0.00 0.00 56.30 55.36 1hsm h ASN 44 Cb 0.53 0.06 -0.35 0.00 0.05 0.00 0.00 38.32 38.61 1hsm h ASN 44 CO -0.55 0.14 0.15 0.59 -1.65 0.00 0.00 177.43 176.11 1hsm n ASN 45 N -4.96 6.10 -0.70 5.81 3.02 0.16 -4.66 115.26 120.03 1hsm n ASN 45 Ca 0.15 -3.78 0.13 0.00 -0.03 0.00 0.00 54.58 51.05 1hsm n ASN 45 Cb 0.42 -0.76 0.23 0.00 -0.61 0.00 0.00 39.78 39.06 1hsm n ASN 45 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1hsm n THR 46 N -0.52 0.00 0.00 3.41 5.66 0.14 -4.87 114.28 118.11 1hsm n THR 46 Ca 0.47 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1hsm n THR 46 Cb 0.46 1.10 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 1hsm n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hsm n ALA 47 N 0.67 0.00 0.00 1.79 0.00 -1.26 -4.46 120.51 117.25 1hsm n ALA 47 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1hsm n ALA 47 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1hsm n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hsm n ALA 48 N 0.00 0.00 1.34 0.00 0.00 -1.26 -4.71 120.51 115.88 1hsm n ALA 48 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1hsm n ALA 48 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 1hsm n ALA 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hsm n ASP 49 N 0.62 0.00 -0.12 0.00 9.92 -1.26 -1.74 116.55 123.97 1hsm n ASP 49 Ca 0.00 -0.10 0.06 0.00 -0.53 0.00 0.00 54.79 54.22 1hsm n ASP 49 Cb 0.00 -0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.15 1hsm n ASP 49 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1hsm n ASP 50 N -1.29 0.93 -0.08 -2.24 2.03 -1.26 -4.42 116.55 110.21 1hsm n ASP 50 Ca 0.13 -0.96 -0.10 0.00 0.52 0.00 0.00 54.79 54.38 1hsm n ASP 50 Cb 0.23 0.78 -0.05 0.00 -0.72 0.00 0.00 41.12 41.36 1hsm n ASP 50 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1hsm h LYS 51 N 0.60 0.00 -0.30 -0.67 1.57 -1.63 -3.40 116.57 112.73 1hsm h LYS 51 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1hsm h LYS 51 Cb 0.35 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1hsm h LYS 51 CO 0.00 0.39 -0.16 0.94 -0.57 0.00 0.00 179.45 180.05 1hsm n GLN 52 N -4.57 -0.11 -0.26 3.15 -0.06 -0.71 -0.03 117.38 114.78 1hsm n GLN 52 Ca -0.15 0.46 0.05 0.00 -2.00 0.00 0.00 57.00 55.37 1hsm n GLN 52 Cb 0.39 -0.68 0.16 0.00 -4.06 0.00 0.00 30.24 26.04 1hsm n GLN 52 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1hsm h PRO 53 N 0.00 0.10 0.01 3.69 0.13 -1.81 0.03 132.00 134.15 1hsm h PRO 53 Ca 0.07 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1hsm h PRO 53 Cb 0.14 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1hsm h PRO 53 CO -0.29 0.07 -0.00 1.88 -0.23 0.00 0.00 178.00 179.42 1hsm h TYR 54 N 0.10 -0.01 -0.62 1.56 0.05 -0.68 -3.36 116.97 114.01 1hsm h TYR 54 Ca 0.42 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.29 1hsm h TYR 54 Cb 0.74 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.37 1hsm h TYR 54 CO -0.42 0.80 -0.45 1.49 -1.05 0.00 0.00 178.16 178.53 1hsm h GLU 55 N -0.86 -0.20 -1.14 4.88 4.81 -0.48 0.27 114.58 121.86 1hsm h GLU 55 Ca -0.00 0.01 0.37 0.00 -0.13 0.00 0.00 59.36 59.61 1hsm h GLU 55 Cb 0.81 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.10 1hsm h GLU 55 CO 0.00 -0.13 0.70 -0.22 -0.73 0.00 0.00 179.01 178.63 1hsm h LYS 56 N -0.21 0.20 0.48 1.92 3.64 -1.14 0.31 116.57 121.77 1hsm h LYS 56 Ca 0.18 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1hsm h LYS 56 Cb 0.56 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1hsm h LYS 56 CO -0.72 0.13 -0.23 0.87 -2.27 0.00 0.00 179.45 177.24 1hsm h LYS 57 N 0.21 -0.62 -0.89 1.90 1.57 -1.10 -1.75 116.57 115.89 1hsm h LYS 57 Ca 0.76 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.76 1hsm h LYS 57 Cb 2.07 0.14 -0.17 0.00 0.08 0.00 0.00 32.23 34.35 1hsm h LYS 57 CO -0.49 -0.41 -0.19 0.00 -0.57 0.00 0.00 179.45 177.79 1hsm h ALA 58 N -1.28 0.65 0.42 3.86 0.00 -0.74 -1.01 119.26 121.16 1hsm h ALA 58 Ca -0.07 0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1hsm h ALA 58 Cb 0.49 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1hsm h ALA 58 CO 0.11 -0.41 -0.30 0.00 0.00 0.00 0.00 179.25 178.65 1hsm h ALA 59 N 1.88 -1.08 -0.95 0.00 0.00 -1.03 -0.37 119.26 117.71 1hsm h ALA 59 Ca 0.44 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.46 1hsm h ALA 59 Cb 0.70 0.46 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 1hsm h ALA 59 CO -0.90 -1.07 0.03 -0.22 0.00 0.00 0.00 179.25 177.09 1hsm h LYS 60 N -0.68 0.03 0.08 0.00 3.64 -0.30 0.43 116.57 119.77 1hsm h LYS 60 Ca -0.06 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1hsm h LYS 60 Cb 0.56 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1hsm h LYS 60 CO 0.03 0.02 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.12 1hsm h LEU 61 N 0.04 -0.09 -0.68 5.20 3.38 -1.05 -1.21 115.31 120.90 1hsm h LEU 61 Ca 0.56 -0.46 0.13 0.00 0.09 0.00 0.00 57.88 58.21 1hsm h LEU 61 Cb 1.13 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 1hsm h LEU 61 CO -0.87 0.44 0.19 0.50 0.09 0.00 0.00 178.44 178.79 1hsm h LYS 62 N -0.66 0.31 0.14 1.13 3.64 0.03 -0.07 116.57 121.09 1hsm h LYS 62 Ca -0.01 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1hsm h LYS 62 Cb 0.54 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1hsm h LYS 62 CO 0.02 0.20 -0.39 1.49 -2.27 0.00 0.00 179.45 178.51 1hsm h GLU 63 N 0.32 -0.61 -0.41 1.90 4.81 -0.93 -0.74 114.58 118.92 1hsm h GLU 63 Ca 0.37 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.72 1hsm h GLU 63 Cb 0.57 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.00 1hsm h GLU 63 CO -0.43 -0.40 -0.27 -0.22 -0.73 0.00 0.00 179.01 176.96 1hsm h LYS 64 N -0.63 -0.19 -0.21 1.92 3.64 0.19 -2.34 116.57 118.95 1hsm h LYS 64 Ca 0.02 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1hsm h LYS 64 Cb 0.65 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 1hsm h LYS 64 CO -0.21 -0.13 -0.36 -0.92 -2.27 0.00 0.00 179.45 175.56 1hsm h TYR 65 N -0.19 -1.10 -1.58 1.91 3.20 -0.52 -0.51 116.97 118.18 1hsm h TYR 65 Ca 0.19 0.05 0.46 0.00 3.14 0.00 0.00 58.73 62.57 1hsm h TYR 65 Cb 0.50 0.51 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 1hsm h TYR 65 CO -0.50 -0.33 1.16 0.93 -1.64 0.00 0.00 178.16 177.78 1hsm h GLU 66 N -0.30 0.00 0.00 1.82 4.39 -0.61 0.45 114.58 120.33 1hsm h GLU 66 Ca 0.04 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.45 1hsm h GLU 66 Cb 0.41 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 1hsm h GLU 66 CO -0.36 0.00 -1.75 1.63 -1.16 0.00 0.00 179.01 177.38 1hsm n LYS 67 N -4.00 0.64 0.17 2.33 4.01 -0.35 -2.26 118.16 118.70 1hsm n LYS 67 Ca 0.35 0.27 0.05 0.00 -0.51 0.00 0.00 58.31 58.47 1hsm n LYS 67 Cb 1.65 -1.77 0.21 0.00 -0.51 0.00 0.00 35.03 34.61 1hsm n LYS 67 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1hsm h ASP 68 N 0.00 0.00 0.11 4.39 5.19 0.12 -0.16 116.42 126.06 1hsm h ASP 68 Ca -0.30 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 55.81 1hsm h ASP 68 Cb 2.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.51 1hsm h ASP 68 CO 0.07 0.41 -1.58 -0.29 -3.12 0.00 0.00 179.24 174.73 1hsm h ILE 69 N 0.00 0.90 -0.38 0.35 6.09 -0.60 0.18 117.51 124.05 1hsm h ILE 69 Ca -0.00 -2.37 0.11 0.00 -1.37 0.00 0.00 64.86 61.22 1hsm h ILE 69 Cb 1.10 2.61 -0.02 0.00 0.47 0.00 0.00 36.82 40.98 1hsm h ILE 69 CO 0.05 0.73 0.27 0.00 -3.07 0.00 0.00 178.15 176.13 1hsm h ALA 70 N -0.05 2.33 0.14 0.18 0.00 -1.36 0.63 119.26 121.13 1hsm h ALA 70 Ca -0.35 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.24 1hsm h ALA 70 Cb 1.81 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1hsm h ALA 70 CO 0.05 -0.43 -1.59 0.00 0.00 0.00 0.00 179.25 177.27 1hsm h ALA 71 N 1.81 0.18 -0.83 0.00 0.00 -1.05 -1.71 119.26 117.67 1hsm h ALA 71 Ca 0.18 -1.13 0.19 0.00 0.00 0.00 0.00 54.91 54.15 1hsm h ALA 71 Cb 0.69 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 1hsm h ALA 71 CO -0.01 0.94 0.29 -0.92 0.00 0.00 0.00 179.25 179.55 1hsm h TYR 72 N -0.12 0.47 0.15 0.00 3.20 0.14 0.32 116.97 121.12 1hsm h TYR 72 Ca -0.33 0.04 -0.32 0.00 3.14 0.00 0.00 58.73 61.27 1hsm h TYR 72 Cb 1.91 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 40.11 1hsm h TYR 72 CO 0.11 -0.06 -1.56 0.00 -1.64 0.00 0.00 178.16 175.01 1hsm h ARG 73 N 0.34 0.31 -0.98 1.82 3.08 -1.10 -0.69 114.38 117.16 1hsm h ARG 73 Ca 0.49 -0.53 0.31 0.00 0.07 0.00 0.00 59.98 60.33 1hsm h ARG 73 Cb 0.89 0.20 -0.15 0.00 0.08 0.00 0.00 29.97 30.99 1hsm h ARG 73 CO -0.52 1.19 0.50 0.00 -1.07 0.00 0.00 179.97 180.07 1hsm h ALA 74 N 0.39 1.85 0.00 0.04 0.00 0.01 -3.41 119.26 118.13 1hsm h ALA 74 Ca -0.26 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hsm h ALA 74 Cb 2.05 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.04 1hsm h ALA 74 CO 0.18 -0.59 0.00 1.17 0.00 0.00 0.00 179.25 180.01 1hsm n LYS 75 N -5.11 0.00 -0.03 0.00 4.81 -0.67 -5.06 118.16 112.10 1hsm n LYS 75 Ca 0.30 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.68 1hsm n LYS 75 Cb 0.96 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.98 1hsm n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hsm n GLY 76 N 0.00 -0.10 0.38 3.14 0.00 -0.36 -4.39 105.19 103.86 1hsm n GLY 76 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1hsm n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hsm n LYS 77 N -3.22 0.00 -0.26 1.61 5.02 -0.62 -3.49 118.16 117.19 1hsm n LYS 77 Ca -0.12 0.00 0.33 0.00 -2.02 0.00 0.00 58.31 56.50 1hsm n LYS 77 Cb 0.59 -0.12 0.74 0.00 -0.02 0.00 0.00 35.03 36.21 1hsm n LYS 77 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1hsm h PRO 78 N -0.08 0.00 -0.67 1.97 0.13 -1.93 -0.29 132.00 131.14 1hsm h PRO 78 Ca -0.05 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.61 1hsm h PRO 78 Cb 0.17 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.97 1hsm h PRO 78 CO 0.04 0.00 -0.39 -0.25 -0.23 0.00 0.00 178.00 177.17 1hsm n ASP 79 N -4.21 4.77 0.05 1.44 9.92 -1.26 -4.57 116.55 122.69 1hsm n ASP 79 Ca 0.23 -3.78 0.00 0.00 -0.53 0.00 0.00 54.79 50.71 1hsm n ASP 79 Cb 1.13 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 1hsm n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hsm n ALA 80 N -0.84 3.00 0.00 2.24 0.00 -0.18 -5.06 120.51 119.66 1hsm n ALA 80 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1hsm n ALA 80 Cb 0.90 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.52 1hsm n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50