#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hmt h ASP 2 N 0.00 0.00 1.42 6.55 3.32 -2.02 -2.07 116.42 123.62 1hmt h ASP 2 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1hmt h ASP 2 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1hmt h ASP 2 CO 0.00 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1hmt h ALA 3 N 1.87 1.00 0.00 3.45 0.00 -2.03 -2.85 119.26 120.70 1hmt h ALA 3 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hmt h ALA 3 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1hmt h ALA 3 CO 0.02 0.00 0.00 0.74 0.00 0.00 0.00 179.25 180.01 1hmt h PHE 4 N 0.00 0.00 -3.76 0.00 0.04 -1.80 -3.47 116.94 107.95 1hmt h PHE 4 Ca 0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 1hmt h PHE 4 Cb 0.71 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.90 1hmt h PHE 4 CO 0.00 0.00 0.60 -0.51 -0.60 0.00 0.00 178.31 177.80 1hmt s LEU 5 N -6.01 4.46 0.00 1.54 1.43 -1.08 -4.71 118.68 114.31 1hmt s LEU 5 Ca 0.06 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1hmt s LEU 5 Cb 0.06 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1hmt s LEU 5 CO 0.64 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1hmt n GLY 6 N 1.21 0.95 3.37 -3.19 0.00 -0.63 -4.96 105.19 101.94 1hmt n GLY 6 Ca 0.01 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 1hmt n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hmt s THR 7 N -2.61 3.25 0.01 2.61 2.01 -1.26 -1.15 115.64 118.50 1hmt s THR 7 Ca 0.00 -0.58 0.07 0.00 0.31 0.00 0.00 61.69 61.49 1hmt s THR 7 Cb 0.00 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1hmt s THR 7 CO 0.00 0.50 -0.20 0.26 -0.69 0.00 0.00 174.62 174.49 1hmt s TRP 8 N 0.62 1.78 0.00 4.92 0.52 0.47 -0.25 118.94 127.00 1hmt s TRP 8 Ca -0.06 -0.35 0.07 0.00 0.02 0.00 0.00 56.10 55.78 1hmt s TRP 8 Cb -0.15 -1.11 -0.02 0.00 -1.15 0.00 0.00 33.47 31.04 1hmt s TRP 8 CO 0.03 0.02 -0.22 0.15 0.02 0.00 0.00 176.95 176.96 1hmt s LYS 9 N -0.79 1.67 0.19 4.98 1.02 0.07 -0.83 119.74 126.04 1hmt s LYS 9 Ca 0.07 -0.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 1hmt s LYS 9 Cb -0.08 -1.67 -0.09 0.00 -0.52 0.00 0.00 37.83 35.47 1hmt s LYS 9 CO 0.00 0.45 1.30 -1.17 -0.92 0.00 0.00 175.35 175.02 1hmt s LEU 10 N -0.70 4.41 0.00 3.17 2.96 -0.87 -0.72 118.68 126.93 1hmt s LEU 10 Ca 0.08 2.37 0.00 0.00 -0.22 0.00 0.00 54.13 56.37 1hmt s LEU 10 Cb -0.09 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1hmt s LEU 10 CO -0.00 -0.52 0.00 1.33 -1.32 0.00 0.00 176.35 175.84 1hmt n VAL 11 N 2.73 0.00 -3.63 1.68 0.24 0.26 -4.88 118.33 114.73 1hmt n VAL 11 Ca 0.06 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.34 62.08 1hmt n VAL 11 Cb 0.43 0.59 -0.07 0.00 -1.47 0.00 0.00 33.84 33.32 1hmt n VAL 11 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1hmt s ASP 12 N -1.46 -0.47 -0.12 -1.34 2.15 -1.11 -4.99 116.67 109.34 1hmt s ASP 12 Ca 0.00 0.53 -0.07 0.00 0.43 0.00 0.00 52.55 53.44 1hmt s ASP 12 Cb 0.00 0.53 0.04 0.00 -0.30 0.00 0.00 42.92 43.20 1hmt s ASP 12 CO 0.00 -0.49 0.28 -0.55 -0.17 0.00 0.00 175.17 174.24 1hmt s SER 13 N -1.05 -0.32 -0.09 -0.34 0.15 -1.26 -0.68 113.70 110.12 1hmt s SER 13 Ca -0.11 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.16 1hmt s SER 13 Cb -0.03 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1hmt s SER 13 CO 0.07 -0.16 -0.13 -0.54 1.20 0.00 0.00 173.24 173.68 1hmt s LYS 14 N 1.05 1.92 -1.12 5.44 1.02 -0.02 -4.83 119.74 123.19 1hmt s LYS 14 Ca -0.07 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.46 1hmt s LYS 14 Cb -0.08 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1hmt s LYS 14 CO -0.07 -0.05 0.00 0.09 -0.92 0.00 0.00 175.35 174.40 1hmt n ASN 15 N 4.12 -4.05 0.07 2.83 3.02 -1.26 -1.78 115.26 118.21 1hmt n ASN 15 Ca -0.20 0.04 -0.03 0.00 -0.03 0.00 0.00 54.58 54.37 1hmt n ASN 15 Cb 0.51 -3.15 0.21 0.00 -0.61 0.00 0.00 39.78 36.74 1hmt n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1hmt h PHE 16 N 0.00 0.37 -0.44 3.10 3.57 -1.90 -2.65 116.94 118.98 1hmt h PHE 16 Ca -0.29 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.15 1hmt h PHE 16 Cb 1.15 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 1hmt h PHE 16 CO 0.34 0.66 0.22 0.22 -2.23 0.00 0.00 178.31 177.52 1hmt h ASP 17 N 0.26 0.33 -0.47 0.41 3.58 -1.96 -0.74 116.42 117.83 1hmt h ASP 17 Ca 0.03 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.54 1hmt h ASP 17 Cb 0.81 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.78 1hmt h ASP 17 CO 0.06 0.23 0.23 0.44 -2.88 0.00 0.00 179.24 177.33 1hmt h ASP 18 N 0.45 0.32 0.00 2.28 3.32 -1.89 0.89 116.42 121.79 1hmt h ASP 18 Ca 0.19 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1hmt h ASP 18 Cb 0.09 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1hmt h ASP 18 CO -0.13 0.22 -0.13 0.22 -1.72 0.00 0.00 179.24 177.71 1hmt h TYR 19 N 0.45 -0.32 -0.71 4.55 3.20 -1.23 -1.78 116.97 121.13 1hmt h TYR 19 Ca 0.21 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1hmt h TYR 19 Cb 0.13 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1hmt h TYR 19 CO -0.11 -0.19 0.36 0.52 -1.64 0.00 0.00 178.16 177.11 1hmt h MET 20 N -0.21 1.01 -0.54 1.82 2.86 -0.91 -2.54 114.93 116.42 1hmt h MET 20 Ca 0.04 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1hmt h MET 20 Cb 0.27 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 1hmt h MET 20 CO -0.12 0.78 0.28 0.87 1.06 0.00 0.00 176.91 179.77 1hmt h LYS 21 N 0.99 0.52 -0.48 1.72 1.57 -0.72 -1.67 116.57 118.49 1hmt h LYS 21 Ca 0.25 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1hmt h LYS 21 Cb 0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1hmt h LYS 21 CO -0.04 0.34 0.25 1.03 -0.57 0.00 0.00 179.45 180.46 1hmt h SER 22 N 0.53 0.58 0.99 0.86 0.87 -0.98 -1.52 113.55 114.88 1hmt h SER 22 Ca 0.24 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1hmt h SER 22 Cb 0.15 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1hmt h SER 22 CO -0.17 0.49 0.00 0.18 -0.53 0.00 0.00 176.83 176.80 1hmt n LEU 23 N -4.40 0.00 0.00 2.23 4.77 -0.82 -4.91 117.00 113.86 1hmt n LEU 23 Ca 0.04 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1hmt n LEU 23 Cb 0.11 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1hmt n LEU 23 CO 0.37 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1hmt n GLY 24 N 1.48 0.87 3.73 -0.72 0.00 -0.57 -5.05 105.19 104.94 1hmt n GLY 24 Ca 0.07 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1hmt n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hmt s VAL 25 N -2.00 3.14 0.69 1.61 1.01 -0.69 -4.99 120.40 119.16 1hmt s VAL 25 Ca 0.00 0.90 -0.13 0.00 0.00 0.00 0.00 61.98 62.76 1hmt s VAL 25 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1hmt s VAL 25 CO 0.00 0.12 1.08 -0.83 0.00 0.00 0.00 175.10 175.47 1hmt s GLY 26 N 0.54 1.90 0.38 4.51 0.00 -1.26 -4.58 107.32 108.80 1hmt s GLY 26 Ca 0.59 0.32 0.06 0.00 0.00 0.00 0.00 44.72 45.70 1hmt s GLY 26 CO 0.37 0.66 1.99 0.27 0.00 0.00 0.00 173.10 176.39 1hmt h PHE 27 N -0.39 0.69 -0.28 1.90 -5.15 -1.99 -1.65 116.94 110.06 1hmt h PHE 27 Ca -0.45 0.02 -0.15 0.00 -0.20 0.00 0.00 57.97 57.19 1hmt h PHE 27 Cb 1.23 -0.23 -0.01 0.00 0.22 0.00 0.00 35.95 37.16 1hmt h PHE 27 CO 0.58 0.39 -0.42 0.00 -2.00 0.00 0.00 178.31 176.86 1hmt h ALA 28 N 1.64 0.73 -0.52 12.09 0.00 -2.00 -0.87 119.26 130.33 1hmt h ALA 28 Ca 0.26 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1hmt h ALA 28 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1hmt h ALA 28 CO -0.07 0.66 -0.05 1.15 0.00 0.00 0.00 179.25 180.94 1hmt h THR 29 N 0.57 1.26 -0.60 0.00 2.02 -1.84 -2.82 112.91 111.50 1hmt h THR 29 Ca 0.04 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.03 1hmt h THR 29 Cb 0.96 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1hmt h THR 29 CO 0.09 0.41 0.18 0.03 0.37 0.00 0.00 175.52 176.59 1hmt h ARG 30 N 0.84 0.91 0.09 6.66 3.08 -0.96 -0.42 114.38 124.57 1hmt h ARG 30 Ca 0.15 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1hmt h ARG 30 Cb 0.56 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1hmt h ARG 30 CO 0.03 0.79 -0.30 1.96 -1.07 0.00 0.00 179.97 181.38 1hmt h GLN 31 N 0.88 -0.48 -0.63 0.04 4.20 -0.96 -1.63 115.11 116.53 1hmt h GLN 31 Ca 0.20 0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 1hmt h GLN 31 Cb 0.27 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1hmt h GLN 31 CO -0.01 -0.32 0.07 -0.24 -0.67 0.00 0.00 178.83 177.66 1hmt h VAL 32 N -0.50 1.26 -0.01 -0.54 3.04 -1.23 -2.86 116.25 115.42 1hmt h VAL 32 Ca 0.04 -1.06 -0.03 0.00 -1.01 0.00 0.00 66.70 64.63 1hmt h VAL 32 Cb 0.55 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 1hmt h VAL 32 CO -0.20 0.39 -0.15 0.00 -1.01 0.00 0.00 177.57 176.60 1hmt h ALA 33 N 1.08 1.73 0.00 3.17 0.00 -0.87 -2.03 119.26 122.34 1hmt h ALA 33 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1hmt h ALA 33 Cb 0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1hmt h ALA 33 CO 0.02 0.20 -0.06 0.66 0.00 0.00 0.00 179.25 180.07 1hmt h SER 34 N 0.01 0.00 -0.15 0.00 4.64 -1.05 -2.92 113.55 114.08 1hmt h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hmt h SER 34 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1hmt h SER 34 CO 0.02 0.06 0.00 0.23 -0.87 0.00 0.00 176.83 176.27 1hmt n MET 35 N -3.20 1.58 -3.46 4.77 2.81 -0.79 -4.99 117.12 113.84 1hmt n MET 35 Ca 0.00 -1.64 -0.38 0.00 -1.81 0.00 0.00 57.70 53.87 1hmt n MET 35 Cb 0.31 -1.31 -0.06 0.00 -0.71 0.00 0.00 33.22 31.45 1hmt n MET 35 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1hmt s THR 36 N -1.17 5.00 -0.38 2.03 -4.23 -1.03 -5.06 115.64 110.80 1hmt s THR 36 Ca 0.21 0.89 0.03 0.00 -1.18 0.00 0.00 61.69 61.65 1hmt s THR 36 Cb 0.14 -3.74 0.11 0.00 1.34 0.00 0.00 72.50 70.34 1hmt s THR 36 CO 0.19 0.56 0.11 -0.54 -0.54 0.00 0.00 174.62 174.41 1hmt s LYS 37 N -0.96 1.51 0.77 3.99 1.02 -1.26 -5.01 119.74 119.79 1hmt s LYS 37 Ca 0.24 -1.98 -0.11 0.00 0.02 0.00 0.00 55.97 54.15 1hmt s LYS 37 Cb -0.17 -3.06 0.05 0.00 -0.52 0.00 0.00 37.83 34.13 1hmt s LYS 37 CO 0.14 -1.00 1.08 -2.14 -0.92 0.00 0.00 175.35 172.51 1hmt s PRO 38 N 0.66 2.35 -0.12 -1.68 0.02 -1.26 -4.74 135.00 130.23 1hmt s PRO 38 Ca 0.13 0.84 -0.01 0.00 0.02 0.00 0.00 61.00 61.98 1hmt s PRO 38 Cb -0.21 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 1hmt s PRO 38 CO -0.07 -1.49 -0.09 0.95 -0.33 0.00 0.00 177.00 175.97 1hmt s THR 39 N -3.06 3.47 -0.13 0.99 -4.23 -0.13 -2.06 115.64 110.49 1hmt s THR 39 Ca 0.60 -0.52 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1hmt s THR 39 Cb -0.15 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1hmt s THR 39 CO 0.55 0.53 -0.13 -0.89 -0.54 0.00 0.00 174.62 174.14 1hmt s THR 40 N 0.05 3.01 -0.14 3.99 2.01 -0.01 -0.40 115.64 124.14 1hmt s THR 40 Ca -0.02 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1hmt s THR 40 Cb -0.14 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 1hmt s THR 40 CO 0.04 0.52 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.71 1hmt s ILE 41 N 0.43 2.79 -0.15 1.82 1.01 0.01 -0.40 121.20 126.71 1hmt s ILE 41 Ca -0.10 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1hmt s ILE 41 Cb -0.16 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 40.16 1hmt s ILE 41 CO 0.05 0.52 -0.18 -0.63 0.00 0.00 0.00 174.94 174.70 1hmt s ILE 42 N 0.60 1.84 0.11 2.92 1.01 -0.30 -0.79 121.20 126.58 1hmt s ILE 42 Ca -0.09 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1hmt s ILE 42 Cb -0.16 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1hmt s ILE 42 CO 0.03 0.50 -0.10 -1.61 0.00 0.00 0.00 174.94 173.76 1hmt s GLU 43 N 1.20 0.91 0.02 2.79 2.02 -0.54 -1.60 118.70 123.49 1hmt s GLU 43 Ca 0.01 -1.24 0.04 0.00 0.02 0.00 0.00 54.97 53.80 1hmt s GLU 43 Cb -0.14 -0.56 -0.02 0.00 0.10 0.00 0.00 34.13 33.51 1hmt s GLU 43 CO -0.08 0.08 -0.13 -1.59 0.02 0.00 0.00 175.26 173.56 1hmt s LYS 44 N -3.05 0.92 -0.33 1.61 -2.85 -1.26 -0.76 119.74 114.02 1hmt s LYS 44 Ca 0.08 -0.64 -0.01 0.00 -1.00 0.00 0.00 55.97 54.40 1hmt s LYS 44 Cb -0.01 -0.90 0.11 0.00 -2.06 0.00 0.00 37.83 34.97 1hmt s LYS 44 CO 0.00 0.23 0.15 1.21 0.10 0.00 0.00 175.35 177.04 1hmt s ASN 45 N -0.86 3.62 1.51 0.03 3.04 -0.22 -5.01 114.94 117.06 1hmt s ASN 45 Ca 0.02 -1.75 0.00 0.00 0.04 0.00 0.00 52.86 51.17 1hmt s ASN 45 Cb -0.07 -0.63 0.00 0.00 -1.54 0.00 0.00 41.25 39.01 1hmt s ASN 45 CO 0.01 -0.39 0.00 0.61 -3.04 0.00 0.00 177.10 174.29 1hmt n GLY 46 N 4.67 2.38 0.32 1.21 0.00 -1.26 -1.82 105.19 110.69 1hmt n GLY 46 Ca 0.01 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.78 1hmt n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hmt n ASP 47 N 5.23 0.95 -4.55 1.61 5.75 -1.26 -4.82 116.55 119.46 1hmt n ASP 47 Ca 0.00 -1.59 -0.37 0.00 -0.01 0.00 0.00 54.79 52.82 1hmt n ASP 47 Cb 0.00 -0.06 -0.11 0.00 -1.03 0.00 0.00 41.12 39.92 1hmt n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1hmt s ILE 48 N -1.88 4.86 0.04 2.12 -1.09 -0.75 -4.35 121.20 120.15 1hmt s ILE 48 Ca 0.30 0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.67 1hmt s ILE 48 Cb 0.15 -3.28 -0.05 0.00 -1.58 0.00 0.00 42.46 37.71 1hmt s ILE 48 CO 0.24 0.33 0.30 -0.76 -1.23 0.00 0.00 174.94 173.81 1hmt s LEU 49 N 1.40 4.35 -0.09 2.97 1.43 0.06 -1.05 118.68 127.75 1hmt s LEU 49 Ca 0.06 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1hmt s LEU 49 Cb -0.15 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.24 1hmt s LEU 49 CO 0.06 0.20 -0.18 -0.89 0.23 0.00 0.00 176.35 175.77 1hmt s THR 50 N -1.39 1.60 -0.20 5.49 2.01 0.06 -1.05 115.64 122.17 1hmt s THR 50 Ca 0.31 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1hmt s THR 50 Cb -0.13 -1.42 0.04 0.00 0.01 0.00 0.00 72.50 71.00 1hmt s THR 50 CO 0.19 0.46 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.23 1hmt s LEU 51 N 0.54 2.31 -0.12 4.42 0.20 0.09 -1.47 118.68 124.64 1hmt s LEU 51 Ca -0.16 -0.85 -0.03 0.00 0.69 0.00 0.00 54.13 53.78 1hmt s LEU 51 Cb -0.17 -1.31 -0.03 0.00 -0.43 0.00 0.00 46.19 44.26 1hmt s LEU 51 CO 0.06 -0.11 -0.03 -0.54 -0.29 0.00 0.00 176.35 175.44 1hmt s LYS 52 N 1.35 3.36 -0.19 1.98 1.02 0.03 -1.82 119.74 125.48 1hmt s LYS 52 Ca -0.00 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.51 1hmt s LYS 52 Cb -0.16 -2.84 0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1hmt s LYS 52 CO -0.09 0.43 -0.12 0.99 -0.92 0.00 0.00 175.35 175.64 1hmt s THR 53 N -0.15 1.71 -0.03 2.17 2.01 -0.20 -0.81 115.64 120.34 1hmt s THR 53 Ca 0.03 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.10 1hmt s THR 53 Cb -0.13 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1hmt s THR 53 CO 0.02 0.25 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.06 1hmt s HIS 54 N 1.38 2.69 0.33 4.92 3.76 0.46 -1.19 115.29 127.64 1hmt s HIS 54 Ca 0.00 -0.16 -0.16 0.00 -0.15 0.00 0.00 55.06 54.59 1hmt s HIS 54 Cb -0.15 -1.60 0.03 0.00 1.11 0.00 0.00 32.58 31.97 1hmt s HIS 54 CO -0.09 0.22 0.71 -1.54 -0.85 0.00 0.00 174.74 173.18 1hmt s SER 55 N -0.92 -0.02 0.43 1.40 1.04 -1.14 -0.95 113.70 113.53 1hmt s SER 55 Ca 0.13 -0.96 0.30 0.00 0.48 0.00 0.00 55.95 55.89 1hmt s SER 55 Cb -0.11 0.77 1.29 0.00 0.10 0.00 0.00 66.02 68.07 1hmt s SER 55 CO 0.02 -1.48 1.88 0.71 0.98 0.00 0.00 173.24 175.35 1hmt h THR 56 N 2.04 0.00 0.00 2.02 1.35 -2.00 -3.36 112.91 112.95 1hmt h THR 56 Ca -0.27 -0.32 -0.05 0.00 -0.55 0.00 0.00 66.41 65.23 1hmt h THR 56 Cb 1.25 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1hmt h THR 56 CO 0.34 0.00 -1.06 0.33 -0.25 0.00 0.00 175.52 174.87 1hmt n PHE 57 N -2.68 0.19 -4.00 4.73 7.35 -1.26 -5.05 117.46 116.74 1hmt n PHE 57 Ca 0.01 0.08 -0.08 0.00 -0.76 0.00 0.00 57.45 56.70 1hmt n PHE 57 Cb 0.24 -0.61 -0.10 0.00 0.35 0.00 0.00 39.48 39.36 1hmt n PHE 57 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1hmt s LYS 58 N -2.74 0.50 0.00 -4.13 1.02 -1.26 -5.15 119.74 107.98 1hmt s LYS 58 Ca -0.27 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 54.90 1hmt s LYS 58 Cb 0.05 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 37.52 1hmt s LYS 58 CO 0.40 -0.10 -0.15 -0.80 -0.92 0.00 0.00 175.35 173.78 1hmt s ASN 59 N -2.17 1.74 0.11 2.83 -0.87 -1.26 -2.90 114.94 112.43 1hmt s ASN 59 Ca -0.05 -0.32 0.04 0.00 -1.57 0.00 0.00 52.86 50.96 1hmt s ASN 59 Cb -0.01 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.25 41.01 1hmt s ASN 59 CO -0.05 0.14 -0.10 0.42 -2.57 0.00 0.00 177.10 174.94 1hmt s THR 60 N -0.48 1.02 -0.13 1.60 -4.23 -0.34 -5.00 115.64 108.08 1hmt s THR 60 Ca 0.05 -1.81 -0.08 0.00 -1.18 0.00 0.00 61.69 58.66 1hmt s THR 60 Cb -0.06 -1.56 0.04 0.00 1.34 0.00 0.00 72.50 72.26 1hmt s THR 60 CO -0.00 -0.64 0.31 -0.70 -0.54 0.00 0.00 174.62 173.05 1hmt s GLU 61 N -3.20 0.30 0.03 3.99 2.12 -1.26 -1.03 118.70 119.65 1hmt s GLU 61 Ca 0.10 0.57 0.03 0.00 0.36 0.00 0.00 54.97 56.03 1hmt s GLU 61 Cb -0.00 -0.00 -0.02 0.00 0.26 0.00 0.00 34.13 34.36 1hmt s GLU 61 CO -0.00 -0.12 -0.10 0.96 -0.54 0.00 0.00 175.26 175.45 1hmt s ILE 62 N 0.95 0.77 0.03 -3.70 -4.36 -0.76 -5.00 121.20 109.13 1hmt s ILE 62 Ca -0.06 -0.90 0.07 0.00 -0.26 0.00 0.00 60.65 59.50 1hmt s ILE 62 Cb -0.07 -0.74 -0.02 0.00 1.25 0.00 0.00 42.46 42.88 1hmt s ILE 62 CO -0.07 -0.13 -0.20 -0.44 0.24 0.00 0.00 174.94 174.34 1hmt s SER 63 N -1.14 2.43 0.15 4.36 0.01 -1.26 -0.73 113.70 117.52 1hmt s SER 63 Ca -0.03 -0.49 -0.24 0.00 1.31 0.00 0.00 55.95 56.50 1hmt s SER 63 Cb -0.08 -0.21 0.07 0.00 0.21 0.00 0.00 66.02 66.01 1hmt s SER 63 CO 0.01 0.17 0.70 0.72 0.41 0.00 0.00 173.24 175.24 1hmt s PHE 64 N -0.75 -0.42 -0.04 2.43 -0.12 -0.22 -4.99 117.98 113.87 1hmt s PHE 64 Ca 0.07 0.18 -0.03 0.00 -0.05 0.00 0.00 56.93 57.10 1hmt s PHE 64 Cb -0.09 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1hmt s PHE 64 CO 0.01 -0.86 0.10 0.15 -0.05 0.00 0.00 175.22 174.58 1hmt s LYS 65 N -3.63 3.22 0.32 1.99 1.02 -1.26 -0.76 119.74 120.63 1hmt s LYS 65 Ca 0.04 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 1hmt s LYS 65 Cb -0.02 -2.98 -0.11 0.00 -0.52 0.00 0.00 37.83 34.20 1hmt s LYS 65 CO -0.08 0.69 1.57 1.28 -0.92 0.00 0.00 175.35 177.90 1hmt n LEU 66 N 1.47 4.55 -0.01 3.17 4.77 -1.26 -2.78 117.00 126.91 1hmt n LEU 66 Ca -0.15 1.17 -0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1hmt n LEU 66 Cb 0.53 -1.61 -0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1hmt n LEU 66 CO 0.36 0.18 -0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1hmt n GLY 67 N 1.63 0.47 3.03 -0.72 0.00 0.39 -5.01 105.19 104.98 1hmt n GLY 67 Ca 0.06 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1hmt n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hmt s VAL 68 N -1.94 1.45 0.51 1.61 1.01 -1.12 -5.01 120.40 116.91 1hmt s VAL 68 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 1hmt s VAL 68 Cb 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 1hmt s VAL 68 CO 0.00 0.43 1.35 -0.70 0.00 0.00 0.00 175.10 176.19 1hmt s GLU 69 N 1.18 3.36 0.04 2.72 2.12 -1.26 -4.67 118.70 122.19 1hmt s GLU 69 Ca -0.03 2.23 -0.05 0.00 0.36 0.00 0.00 54.97 57.48 1hmt s GLU 69 Cb -0.14 -2.39 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 1hmt s GLU 69 CO -0.04 -1.01 0.09 -0.59 -0.54 0.00 0.00 175.26 173.16 1hmt s PHE 70 N -1.30 0.22 0.10 5.30 -0.71 -0.21 -4.97 117.98 116.41 1hmt s PHE 70 Ca 0.68 -0.53 -0.26 0.00 -1.04 0.00 0.00 56.93 55.77 1hmt s PHE 70 Cb -0.40 -0.15 -0.06 0.00 -1.21 0.00 0.00 43.02 41.19 1hmt s PHE 70 CO 0.49 -0.37 0.82 -0.51 -1.34 0.00 0.00 175.22 174.30 1hmt s ASP 71 N -2.18 7.34 -0.00 1.98 1.01 -1.26 -0.73 116.67 122.83 1hmt s ASP 71 Ca -0.04 1.60 0.01 0.00 0.71 0.00 0.00 52.55 54.83 1hmt s ASP 71 Cb -0.01 -2.51 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 1hmt s ASP 71 CO -0.05 0.06 -0.04 -0.70 0.21 0.00 0.00 175.17 174.65 1hmt s GLU 72 N -0.41 0.31 -0.26 8.23 2.12 -0.60 -4.94 118.70 123.16 1hmt s GLU 72 Ca 0.39 -0.17 -0.04 0.00 0.36 0.00 0.00 54.97 55.51 1hmt s GLU 72 Cb -0.22 -0.28 0.01 0.00 0.26 0.00 0.00 34.13 33.90 1hmt s GLU 72 CO 0.26 0.08 0.00 0.99 -0.54 0.00 0.00 175.26 176.04 1hmt s THR 73 N -0.17 3.45 0.83 -1.70 2.01 -1.26 -1.13 115.64 117.68 1hmt s THR 73 Ca 0.01 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.14 1hmt s THR 73 Cb -0.02 -2.72 0.11 0.00 0.01 0.00 0.00 72.50 69.88 1hmt s THR 73 CO -0.00 0.21 1.19 0.42 -0.69 0.00 0.00 174.62 175.75 1hmt s THR 74 N 1.44 2.03 0.52 -0.82 -4.23 -0.48 -4.89 115.64 109.21 1hmt s THR 74 Ca 0.03 -0.04 0.19 0.00 -1.18 0.00 0.00 61.69 60.68 1hmt s THR 74 Cb -0.16 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 70.96 1hmt s THR 74 CO -0.01 0.00 2.15 0.00 -0.54 0.00 0.00 174.62 176.22 1hmt h ALA 75 N -1.13 1.87 -0.42 3.99 0.00 -1.96 0.64 119.26 122.24 1hmt h ALA 75 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1hmt h ALA 75 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1hmt h ALA 75 CO 0.59 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.47 1hmt n ASP 76 N -4.37 3.35 -2.21 0.00 5.75 -1.26 -4.95 116.55 112.85 1hmt n ASP 76 Ca -0.03 -2.32 -0.16 0.00 -0.01 0.00 0.00 54.79 52.28 1hmt n ASP 76 Cb 0.11 -0.48 0.03 0.00 -1.03 0.00 0.00 41.12 39.75 1hmt n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1hmt n ASP 77 N 0.64 -4.79 -4.81 -1.12 8.00 0.22 -5.02 116.55 109.66 1hmt n ASP 77 Ca 0.17 -0.21 -0.37 0.00 0.71 0.00 0.00 54.79 55.09 1hmt n ASP 77 Cb 0.65 -3.64 -0.06 0.00 -0.02 0.00 0.00 41.12 38.05 1hmt n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1hmt s ARG 78 N -5.38 4.32 -0.42 -1.24 0.52 -1.26 -4.83 118.95 110.66 1hmt s ARG 78 Ca 0.22 0.94 -0.15 0.00 -0.52 0.00 0.00 55.73 56.22 1hmt s ARG 78 Cb -0.10 -2.95 0.03 0.00 0.52 0.00 0.00 34.95 32.44 1hmt s ARG 78 CO 0.28 0.43 0.32 0.15 0.02 0.00 0.00 175.30 176.50 1hmt s LYS 79 N -1.80 2.98 0.24 3.54 3.01 -1.26 -1.39 119.74 125.06 1hmt s LYS 79 Ca 0.42 -1.04 0.08 0.00 -1.01 0.00 0.00 55.97 54.42 1hmt s LYS 79 Cb -0.18 -4.00 -0.05 0.00 -1.01 0.00 0.00 37.83 32.59 1hmt s LYS 79 CO 0.22 -0.79 -0.14 0.14 0.51 0.00 0.00 175.35 175.29 1hmt s VAL 80 N 1.71 1.90 -0.26 3.17 -7.23 -0.28 -4.80 120.40 114.60 1hmt s VAL 80 Ca 0.05 -2.24 -0.11 0.00 -1.81 0.00 0.00 61.98 57.88 1hmt s VAL 80 Cb -0.19 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 1hmt s VAL 80 CO 0.10 -0.48 0.17 -0.54 -0.31 0.00 0.00 175.10 174.04 1hmt s LYS 81 N -3.63 3.99 0.16 4.82 -0.14 -0.34 -1.55 119.74 123.05 1hmt s LYS 81 Ca 0.26 -0.31 0.10 0.00 -1.36 0.00 0.00 55.97 54.66 1hmt s LYS 81 Cb -0.01 -3.59 -0.04 0.00 -1.68 0.00 0.00 37.83 32.51 1hmt s LYS 81 CO 0.10 -0.07 -0.23 -1.12 -0.76 0.00 0.00 175.35 173.27 1hmt s SER 82 N 1.44 3.07 -0.07 2.83 0.01 0.10 -0.38 113.70 120.70 1hmt s SER 82 Ca 0.07 -0.81 -0.06 0.00 1.31 0.00 0.00 55.95 56.45 1hmt s SER 82 Cb -0.15 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 65.90 1hmt s SER 82 CO 0.08 0.08 0.18 -0.51 0.41 0.00 0.00 173.24 173.48 1hmt s ILE 83 N -1.57 0.00 -0.08 1.44 2.07 -0.66 -1.04 121.20 121.36 1hmt s ILE 83 Ca 0.16 -0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.42 1hmt s ILE 83 Cb -0.08 -0.27 0.00 0.00 0.13 0.00 0.00 42.46 42.24 1hmt s ILE 83 CO 0.07 -0.01 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.19 1hmt s VAL 84 N 0.06 1.83 0.16 4.00 1.01 -1.26 -0.93 120.40 125.26 1hmt s VAL 84 Ca -0.00 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1hmt s VAL 84 Cb -0.01 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1hmt s VAL 84 CO 0.00 0.51 0.01 -0.89 0.00 0.00 0.00 175.10 174.74 1hmt s THR 85 N 0.28 0.51 -0.26 3.92 2.01 -0.34 -0.46 115.64 121.30 1hmt s THR 85 Ca -0.14 -1.95 -0.12 0.00 0.31 0.00 0.00 61.69 59.79 1hmt s THR 85 Cb -0.16 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1hmt s THR 85 CO 0.06 -0.49 0.21 -0.22 -0.69 0.00 0.00 174.62 173.50 1hmt s LEU 86 N -3.13 4.07 -0.16 4.42 2.96 -1.26 -0.80 118.68 124.78 1hmt s LEU 86 Ca 0.23 0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1hmt s LEU 86 Cb 0.06 -2.18 0.07 0.00 0.50 0.00 0.00 46.19 44.64 1hmt s LEU 86 CO 0.03 -0.02 0.15 -0.62 -1.32 0.00 0.00 176.35 174.56 1hmt s ASP 87 N 1.41 1.64 -1.74 3.68 -1.08 -0.12 -4.82 116.67 115.64 1hmt s ASP 87 Ca 0.09 -0.26 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 1hmt s ASP 87 Cb -0.15 0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.38 1hmt s ASP 87 CO 0.08 -0.32 0.00 0.61 0.52 0.00 0.00 175.17 176.06 1hmt n GLY 88 N 5.30 -0.45 2.73 2.66 0.00 -1.26 -1.59 105.19 112.59 1hmt n GLY 88 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1hmt n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hmt n GLY 89 N -1.02 0.93 3.88 -0.02 0.00 -1.26 -5.03 105.19 102.67 1hmt n GLY 89 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1hmt n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hmt s LYS 90 N -0.06 3.65 -0.37 1.61 1.02 -0.62 -4.78 119.74 120.18 1hmt s LYS 90 Ca 0.00 0.01 -0.19 0.00 0.02 0.00 0.00 55.97 55.81 1hmt s LYS 90 Cb 0.00 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1hmt s LYS 90 CO 0.00 0.60 0.54 -1.17 -0.92 0.00 0.00 175.35 174.40 1hmt s LEU 91 N -1.91 4.42 -0.24 3.17 2.96 -0.46 -0.94 118.68 125.69 1hmt s LEU 91 Ca 0.31 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1hmt s LEU 91 Cb -0.13 -2.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.95 1hmt s LEU 91 CO 0.18 -0.55 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.96 1hmt s VAL 92 N 2.46 3.54 -0.31 1.68 1.01 0.02 -0.75 120.40 128.06 1hmt s VAL 92 Ca 0.19 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1hmt s VAL 92 Cb -0.15 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1hmt s VAL 92 CO 0.14 0.33 0.08 -2.28 0.00 0.00 0.00 175.10 173.37 1hmt s HIS 93 N 1.48 3.18 -0.20 5.22 2.46 -0.15 -1.20 115.29 126.09 1hmt s HIS 93 Ca 0.05 -1.18 -0.07 0.00 0.47 0.00 0.00 55.06 54.32 1hmt s HIS 93 Cb -0.15 -2.24 -0.04 0.00 -0.13 0.00 0.00 32.58 30.02 1hmt s HIS 93 CO -0.02 -0.64 0.06 -1.17 -2.47 0.00 0.00 174.74 170.50 1hmt s LEU 94 N 1.45 3.69 -0.12 8.88 2.96 -0.11 -0.84 118.68 134.60 1hmt s LEU 94 Ca 0.01 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1hmt s LEU 94 Cb -0.18 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1hmt s LEU 94 CO 0.02 0.12 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.96 1hmt s GLN 95 N 0.71 3.28 -0.03 1.98 -0.21 -0.38 -1.65 119.66 123.35 1hmt s GLN 95 Ca 0.03 -0.63 0.05 0.00 0.02 0.00 0.00 55.36 54.83 1hmt s GLN 95 Cb -0.13 -2.67 -0.01 0.00 1.00 0.00 0.00 33.01 31.20 1hmt s GLN 95 CO 0.02 0.33 -0.19 0.15 -2.12 0.00 0.00 175.29 173.48 1hmt s LYS 96 N 0.08 1.79 -0.27 2.91 1.02 0.49 -1.48 119.74 124.28 1hmt s LYS 96 Ca -0.04 -0.67 -0.22 0.00 0.02 0.00 0.00 55.97 55.06 1hmt s LYS 96 Cb -0.14 -1.60 0.07 0.00 -0.52 0.00 0.00 37.83 35.64 1hmt s LYS 96 CO 0.04 0.32 0.71 1.67 -0.92 0.00 0.00 175.35 177.16 1hmt s TRP 97 N -0.16 -0.87 -1.43 3.18 -2.14 -0.77 -1.19 118.94 115.57 1hmt s TRP 97 Ca 0.00 1.98 -0.10 0.00 2.66 0.00 0.00 56.10 60.64 1hmt s TRP 97 Cb -0.10 0.38 0.07 0.00 -3.10 0.00 0.00 33.47 30.71 1hmt s TRP 97 CO 0.01 -0.42 0.67 -0.25 -2.66 0.00 0.00 176.95 174.30 1hmt n ASP 98 N 3.18 -4.45 0.00 -2.66 8.00 -1.26 -0.12 116.55 119.24 1hmt n ASP 98 Ca -0.16 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1hmt n ASP 98 Cb 0.56 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 1hmt n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hmt n GLY 99 N -1.40 0.76 3.98 0.44 0.00 -1.26 -5.01 105.19 102.69 1hmt n GLY 99 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1hmt n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hmt s GLN 100 N -0.24 2.84 -0.00 1.61 -0.21 0.83 -5.13 119.66 119.36 1hmt s GLN 100 Ca 0.00 -1.24 -0.10 0.00 0.02 0.00 0.00 55.36 54.04 1hmt s GLN 100 Cb 0.00 -2.70 0.01 0.00 1.00 0.00 0.00 33.01 31.32 1hmt s GLN 100 CO 0.00 -0.16 0.20 -1.83 -2.12 0.00 0.00 175.29 171.37 1hmt s GLU 101 N -4.26 0.55 0.01 2.91 -1.05 -1.26 -1.85 118.70 113.75 1hmt s GLU 101 Ca 0.51 -0.33 -0.02 0.00 -0.15 0.00 0.00 54.97 54.98 1hmt s GLU 101 Cb -0.09 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.83 1hmt s GLU 101 CO 0.31 -0.14 0.02 0.99 0.95 0.00 0.00 175.26 177.39 1hmt s THR 102 N -1.38 0.09 -0.06 1.83 2.01 -0.55 -4.62 115.64 112.97 1hmt s THR 102 Ca -0.14 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.13 1hmt s THR 102 Cb -0.07 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1hmt s THR 102 CO 0.02 -0.42 -0.18 0.42 -0.69 0.00 0.00 174.62 173.77 1hmt s THR 103 N -1.30 2.69 -0.28 -0.82 -4.23 -0.99 -1.24 115.64 109.47 1hmt s THR 103 Ca -0.14 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 1hmt s THR 103 Cb -0.08 -2.04 0.07 0.00 1.34 0.00 0.00 72.50 71.79 1hmt s THR 103 CO -0.00 0.57 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.84 1hmt s LEU 104 N -0.40 3.69 -0.15 4.79 1.02 -0.02 -1.62 118.68 126.00 1hmt s LEU 104 Ca 0.04 -1.60 -0.02 0.00 0.02 0.00 0.00 54.13 52.58 1hmt s LEU 104 Cb -0.12 -1.51 -0.02 0.00 0.02 0.00 0.00 46.19 44.56 1hmt s LEU 104 CO 0.02 -0.26 -0.09 -0.69 0.02 0.00 0.00 176.35 175.35 1hmt s VAL 105 N 1.09 3.35 -0.14 -1.59 1.01 0.00 -0.97 120.40 123.15 1hmt s VAL 105 Ca -0.02 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1hmt s VAL 105 Cb -0.20 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1hmt s VAL 105 CO -0.06 0.51 -0.13 -0.13 0.00 0.00 0.00 175.10 175.28 1hmt s ARG 106 N 0.45 3.37 0.06 2.72 0.52 0.07 -0.52 118.95 125.62 1hmt s ARG 106 Ca -0.07 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1hmt s ARG 106 Cb -0.15 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 1hmt s ARG 106 CO 0.04 0.18 -0.10 -1.83 0.02 0.00 0.00 175.30 173.61 1hmt s GLU 107 N 0.44 0.64 -0.21 3.54 -1.05 -0.07 -1.35 118.70 120.65 1hmt s GLU 107 Ca -0.10 -0.85 -0.08 0.00 -0.15 0.00 0.00 54.97 53.79 1hmt s GLU 107 Cb -0.16 -0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 33.01 1hmt s GLU 107 CO 0.05 0.10 0.09 -0.51 0.95 0.00 0.00 175.26 175.93 1hmt s LEU 108 N -1.69 3.82 -0.12 1.83 2.01 -1.26 -0.19 118.68 123.07 1hmt s LEU 108 Ca -0.06 0.03 -0.02 0.00 0.01 0.00 0.00 54.13 54.09 1hmt s LEU 108 Cb -0.09 -1.99 0.04 0.00 0.01 0.00 0.00 46.19 44.15 1hmt s LEU 108 CO 0.01 0.11 0.02 -0.63 1.01 0.00 0.00 176.35 176.86 1hmt s ILE 109 N 0.79 0.43 -1.58 -0.59 -1.09 -0.59 -4.83 121.20 113.73 1hmt s ILE 109 Ca 0.05 -0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 58.26 1hmt s ILE 109 Cb -0.13 -0.74 0.01 0.00 -1.58 0.00 0.00 42.46 40.01 1hmt s ILE 109 CO 0.02 0.06 0.44 0.47 -1.23 0.00 0.00 174.94 174.70 1hmt n ASP 110 N 5.11 -5.87 0.00 3.58 8.00 -1.26 -1.70 116.55 124.41 1hmt n ASP 110 Ca -0.08 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1hmt n ASP 110 Cb 0.49 -4.79 0.00 0.00 -0.02 0.00 0.00 41.12 36.80 1hmt n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hmt n GLY 111 N -1.36 1.29 3.87 0.44 0.00 -1.26 -5.02 105.19 103.15 1hmt n GLY 111 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1hmt n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hmt s LYS 112 N -0.15 3.18 -0.30 1.61 1.02 -0.69 -4.60 119.74 119.82 1hmt s LYS 112 Ca 0.00 -0.68 -0.11 0.00 0.02 0.00 0.00 55.97 55.20 1hmt s LYS 112 Cb 0.00 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1hmt s LYS 112 CO 0.00 0.53 0.18 -1.17 -0.92 0.00 0.00 175.35 173.97 1hmt s LEU 113 N -2.98 4.09 -0.25 3.17 0.20 -0.34 -1.55 118.68 121.03 1hmt s LEU 113 Ca 0.33 -0.25 -0.08 0.00 0.69 0.00 0.00 54.13 54.82 1hmt s LEU 113 Cb -0.11 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.54 1hmt s LEU 113 CO 0.26 -0.13 0.09 -0.63 -0.29 0.00 0.00 176.35 175.65 1hmt s ILE 114 N 1.70 4.50 -0.27 6.68 -1.09 0.74 -0.75 121.20 132.72 1hmt s ILE 114 Ca 0.06 -0.11 -0.07 0.00 -2.23 0.00 0.00 60.65 58.30 1hmt s ILE 114 Cb -0.16 -3.11 -0.02 0.00 -1.58 0.00 0.00 42.46 37.59 1hmt s ILE 114 CO 0.09 0.32 0.08 -0.22 -1.23 0.00 0.00 174.94 173.98 1hmt s LEU 115 N 1.62 3.59 -0.18 2.97 2.96 0.23 -0.89 118.68 128.98 1hmt s LEU 115 Ca 0.06 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1hmt s LEU 115 Cb -0.15 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1hmt s LEU 115 CO 0.05 -0.09 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.04 1hmt s THR 116 N 1.59 3.41 -0.17 3.68 2.01 0.33 -0.30 115.64 126.19 1hmt s THR 116 Ca 0.05 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 1hmt s THR 116 Cb -0.16 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1hmt s THR 116 CO 0.03 0.47 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.57 1hmt s LEU 117 N 0.89 2.76 -0.07 4.42 1.43 -0.17 -0.82 118.68 127.12 1hmt s LEU 117 Ca -0.01 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1hmt s LEU 117 Cb -0.15 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.43 1hmt s LEU 117 CO 0.01 0.09 -0.13 -0.89 0.23 0.00 0.00 176.35 175.65 1hmt s THR 118 N 0.83 1.23 -0.12 5.49 2.01 -0.64 -0.98 115.64 123.46 1hmt s THR 118 Ca -0.03 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.35 1hmt s THR 118 Cb -0.15 -1.12 0.04 0.00 0.01 0.00 0.00 72.50 71.29 1hmt s THR 118 CO 0.01 0.38 0.31 -2.28 -0.69 0.00 0.00 174.62 172.34 1hmt s HIS 119 N 0.63 -0.40 0.00 4.92 5.04 -0.71 -2.34 115.29 122.43 1hmt s HIS 119 Ca -0.15 0.93 0.00 0.00 -1.54 0.00 0.00 55.06 54.30 1hmt s HIS 119 Cb -0.16 0.13 0.00 0.00 0.04 0.00 0.00 32.58 32.59 1hmt s HIS 119 CO 0.04 -0.24 0.00 0.41 -2.34 0.00 0.00 174.74 172.61 1hmt n GLY 120 N 3.84 3.83 0.96 1.59 0.00 -1.26 -1.20 105.19 112.95 1hmt n GLY 120 Ca -0.21 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1hmt n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hmt n THR 121 N 0.00 0.02 -2.97 2.61 -2.24 -1.26 -4.95 114.28 105.50 1hmt n THR 121 Ca 0.00 -0.51 -0.40 0.00 -2.27 0.00 0.00 64.05 60.87 1hmt n THR 121 Cb 0.00 1.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 1hmt n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hmt s ALA 122 N -1.96 3.35 -0.08 6.98 0.00 -0.34 -5.04 121.76 124.67 1hmt s ALA 122 Ca 0.28 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 1hmt s ALA 122 Cb 0.20 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 20.33 1hmt s ALA 122 CO 0.30 0.04 -0.03 0.08 0.00 0.00 0.00 175.76 176.14 1hmt s VAL 123 N 0.06 0.61 -0.02 0.00 1.01 -1.26 -1.73 120.40 119.07 1hmt s VAL 123 Ca 0.39 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.38 1hmt s VAL 123 Cb -0.20 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1hmt s VAL 123 CO 0.23 0.29 -0.20 0.00 0.00 0.00 0.00 175.10 175.42 1hmt s THR 125 N -0.73 1.80 -0.07 0.00 -4.23 -0.73 -1.00 115.64 110.68 1hmt s THR 125 Ca 0.11 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1hmt s THR 125 Cb -0.10 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 1hmt s THR 125 CO 0.01 0.50 -0.24 -0.13 -0.54 0.00 0.00 174.62 174.22 1hmt s ARG 126 N 0.91 2.64 -0.15 3.99 0.52 0.59 -0.84 118.95 126.61 1hmt s ARG 126 Ca -0.06 -0.87 -0.02 0.00 -0.52 0.00 0.00 55.73 54.25 1hmt s ARG 126 Cb -0.15 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 1hmt s ARG 126 CO -0.02 0.31 -0.07 0.99 0.02 0.00 0.00 175.30 176.53 1hmt s THR 127 N 0.01 3.52 0.00 0.02 2.01 0.15 -0.60 115.64 120.74 1hmt s THR 127 Ca -0.08 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.48 1hmt s THR 127 Cb -0.15 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 1hmt s THR 127 CO 0.05 0.50 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.02 1hmt s TYR 128 N 0.49 2.66 0.11 4.92 1.51 0.07 -0.57 117.35 126.54 1hmt s TYR 128 Ca -0.06 -0.19 0.09 0.00 -1.01 0.00 0.00 57.07 55.91 1hmt s TYR 128 Cb -0.15 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 1hmt s TYR 128 CO 0.03 0.24 -0.21 -1.21 -1.11 0.00 0.00 175.55 173.30 1hmt s GLU 129 N -1.17 1.73 0.10 -0.62 2.02 0.11 -1.19 118.70 119.68 1hmt s GLU 129 Ca 0.14 -1.19 -0.30 0.00 0.02 0.00 0.00 54.97 53.64 1hmt s GLU 129 Cb -0.11 -2.07 -0.06 0.00 0.10 0.00 0.00 34.13 32.00 1hmt s GLU 129 CO 0.04 0.48 1.09 0.21 0.02 0.00 0.00 175.26 177.10 1hmt s LYS 130 N -1.99 4.55 0.00 1.61 2.20 -1.26 -0.75 119.74 124.10 1hmt s LYS 130 Ca 0.16 1.65 0.25 0.00 -0.36 0.00 0.00 55.97 57.67 1hmt s LYS 130 Cb -0.10 -3.34 0.40 0.00 -1.51 0.00 0.00 37.83 33.27 1hmt s LYS 130 CO 0.08 -0.03 1.38 -1.91 -0.36 0.00 0.00 175.35 174.51