#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hu9 s ASN 2 N 0.00 0.48 0.36 6.12 2.20 -1.26 -5.03 114.94 117.81 3hu9 s ASN 2 Ca 0.00 -1.28 0.04 0.00 -0.94 0.00 0.00 52.86 50.68 3hu9 s ASN 2 Cb 0.00 0.70 0.69 0.00 -2.00 0.00 0.00 41.25 40.63 3hu9 s ASN 2 CO 0.00 -1.37 2.01 -0.29 -2.94 0.00 0.00 177.10 174.51 3hu9 h ILE 3 N 2.11 1.13 -0.30 0.54 6.09 -1.97 -0.47 117.51 124.64 3hu9 h ILE 3 Ca -0.29 -0.27 -0.06 0.00 -1.37 0.00 0.00 64.86 62.87 3hu9 h ILE 3 Cb 1.24 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 3hu9 h ILE 3 CO 0.38 0.15 -0.06 -0.26 -3.07 0.00 0.00 178.15 175.29 3hu9 h PHE 4 N 0.80 0.63 -0.53 2.19 -1.00 -1.99 -1.43 116.94 115.62 3hu9 h PHE 4 Ca 0.24 -0.13 -0.07 0.00 2.81 0.00 0.00 57.97 60.82 3hu9 h PHE 4 Cb -0.02 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 3hu9 h PHE 4 CO -0.00 0.75 0.05 0.93 -1.61 0.00 0.00 178.31 178.42 3hu9 h GLU 5 N 0.33 0.87 0.15 1.51 5.08 -1.84 -0.15 114.58 120.53 3hu9 h GLU 5 Ca 0.08 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3hu9 h GLU 5 Cb 0.54 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hu9 h GLU 5 CO 0.03 0.84 -0.07 1.98 -1.00 0.00 0.00 179.01 180.79 3hu9 h MET 6 N 0.82 -0.19 -0.11 2.33 4.05 -1.01 -2.09 114.93 118.73 3hu9 h MET 6 Ca 0.16 0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.49 3hu9 h MET 6 Cb 0.42 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 3hu9 h MET 6 CO 0.01 0.02 -0.40 -0.07 0.23 0.00 0.00 176.91 176.70 3hu9 h LEU 7 N -0.37 0.26 -0.97 3.39 3.38 -1.21 -1.83 115.31 117.97 3hu9 h LEU 7 Ca -0.02 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hu9 h LEU 7 Cb 0.29 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3hu9 h LEU 7 CO 0.03 0.64 0.63 -0.09 0.09 0.00 0.00 178.44 179.75 3hu9 h ARG 8 N 0.21 1.21 -0.18 1.13 9.65 -0.89 0.18 114.38 125.68 3hu9 h ARG 8 Ca 0.02 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 3hu9 h ARG 8 Cb 0.80 -0.27 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 3hu9 h ARG 8 CO 0.06 0.80 0.05 0.82 2.80 0.00 0.00 179.97 184.51 3hu9 h ILE 9 N 1.25 1.19 -0.08 1.20 2.04 -1.03 -1.20 117.51 120.89 3hu9 h ILE 9 Ca 0.38 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 3hu9 h ILE 9 Cb -0.05 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3hu9 h ILE 9 CO -0.11 0.19 -0.48 0.44 0.00 0.00 0.00 178.15 178.19 3hu9 h ASP 10 N 0.11 0.21 0.00 1.72 3.32 -0.98 -3.31 116.42 117.49 3hu9 h ASP 10 Ca 0.06 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3hu9 h ASP 10 Cb 0.24 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3hu9 h ASP 10 CO -0.00 0.66 -2.01 -0.62 -1.72 0.00 0.00 179.24 175.54 3hu9 n GLU 11 N -3.97 0.66 -0.21 3.56 -0.58 0.58 -5.09 120.64 115.60 3hu9 n GLU 11 Ca -0.02 -0.17 0.03 0.00 -0.42 0.00 0.00 57.16 56.58 3hu9 n GLU 11 Cb 0.52 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.88 3hu9 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hu9 n GLY 12 N 1.35 -1.92 2.69 0.62 0.00 -0.45 -4.32 105.19 103.15 3hu9 n GLY 12 Ca -0.07 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 3hu9 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hu9 s LEU 13 N 0.00 0.14 -0.04 0.99 2.96 -1.26 -4.23 118.68 117.24 3hu9 s LEU 13 Ca 0.00 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 3hu9 s LEU 13 Cb 0.00 -0.05 0.01 0.00 0.50 0.00 0.00 46.19 46.65 3hu9 s LEU 13 CO 0.00 -0.29 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.51 3hu9 s ARG 14 N 2.20 1.22 0.00 1.98 0.52 -0.54 -5.00 118.95 119.32 3hu9 s ARG 14 Ca 0.04 -0.33 0.24 0.00 -0.52 0.00 0.00 55.73 55.16 3hu9 s ARG 14 Cb -0.14 -1.09 0.34 0.00 0.52 0.00 0.00 34.95 34.58 3hu9 s ARG 14 CO -0.06 0.07 1.30 1.28 0.02 0.00 0.00 175.30 177.90 3hu9 n LEU 15 N 3.54 0.79 -4.62 2.53 4.77 -1.26 0.15 117.00 122.90 3hu9 n LEU 15 Ca -0.21 -0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.27 3hu9 n LEU 15 Cb 0.53 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 3hu9 n LEU 15 CO 0.25 0.18 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.56 3hu9 s LYS 16 N -2.89 2.28 0.18 3.23 1.02 -1.26 -1.05 119.74 121.25 3hu9 s LYS 16 Ca 0.13 -0.98 -0.33 0.00 0.02 0.00 0.00 55.97 54.81 3hu9 s LYS 16 Cb 0.17 -2.38 -0.14 0.00 -0.52 0.00 0.00 37.83 34.96 3hu9 s LYS 16 CO 0.71 0.51 1.46 -0.89 -0.92 0.00 0.00 175.35 176.22 3hu9 n ILE 17 N 0.56 0.38 -4.24 2.17 5.41 -0.78 -4.72 119.36 118.13 3hu9 n ILE 17 Ca -0.12 -0.10 -0.14 0.00 1.00 0.00 0.00 62.75 63.40 3hu9 n ILE 17 Cb 0.52 -1.38 -0.10 0.00 -0.71 0.00 0.00 39.64 37.97 3hu9 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3hu9 s TYR 18 N 0.46 1.31 -0.16 1.39 -0.85 -0.17 -4.96 117.35 114.36 3hu9 s TYR 18 Ca 0.75 -1.31 -0.10 0.00 -0.52 0.00 0.00 57.07 55.90 3hu9 s TYR 18 Cb -0.71 -0.69 -0.05 0.00 0.38 0.00 0.00 41.96 40.89 3hu9 s TYR 18 CO 0.44 -0.53 0.16 0.15 -1.52 0.00 0.00 175.55 174.25 3hu9 s LYS 19 N -4.11 3.95 0.01 -3.49 1.02 -1.26 -0.31 119.74 115.55 3hu9 s LYS 19 Ca 0.39 -0.14 -0.00 0.00 0.02 0.00 0.00 55.97 56.24 3hu9 s LYS 19 Cb 0.07 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 3hu9 s LYS 19 CO 0.13 0.46 0.01 -0.40 -0.92 0.00 0.00 175.35 174.63 3hu9 n ASP 20 N 2.99 -0.62 0.28 2.83 5.68 0.26 -4.79 116.55 123.18 3hu9 n ASP 20 Ca -0.17 -0.70 0.15 0.00 -0.50 0.00 0.00 54.79 53.58 3hu9 n ASP 20 Cb 0.53 -0.01 0.77 0.00 -1.14 0.00 0.00 41.12 41.26 3hu9 n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3hu9 h THR 21 N -1.32 0.30 -0.25 2.12 1.35 -1.99 -1.13 112.91 112.00 3hu9 h THR 21 Ca -0.01 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3hu9 h THR 21 Cb 0.02 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3hu9 h THR 21 CO 0.00 0.08 0.00 -0.62 -0.25 0.00 0.00 175.52 174.73 3hu9 n GLU 22 N -3.35 2.13 -0.70 4.72 -0.58 -1.26 -4.95 120.64 116.65 3hu9 n GLU 22 Ca -0.01 -1.70 0.00 0.00 -0.42 0.00 0.00 57.16 55.03 3hu9 n GLU 22 Cb 0.25 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 3hu9 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hu9 n GLY 23 N 1.32 0.62 3.85 0.62 0.00 -0.43 -5.06 105.19 106.12 3hu9 n GLY 23 Ca 0.17 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3hu9 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hu9 s TYR 24 N -2.00 3.60 0.22 1.61 4.12 -1.26 -4.71 117.35 118.92 3hu9 s TYR 24 Ca 0.00 0.59 -0.31 0.00 0.02 0.00 0.00 57.07 57.37 3hu9 s TYR 24 Cb 0.00 -2.03 -0.11 0.00 -1.52 0.00 0.00 41.96 38.29 3hu9 s TYR 24 CO 0.00 0.67 1.65 0.71 0.02 0.00 0.00 175.55 178.59 3hu9 s TYR 25 N -0.86 2.92 0.09 2.71 4.12 -1.22 -0.57 117.35 124.54 3hu9 s TYR 25 Ca 0.16 0.53 -0.08 0.00 0.02 0.00 0.00 57.07 57.70 3hu9 s TYR 25 Cb -0.13 -4.06 -0.00 0.00 -1.52 0.00 0.00 41.96 36.25 3hu9 s TYR 25 CO 0.05 -3.88 0.18 0.99 0.02 0.00 0.00 175.55 172.91 3hu9 s THR 26 N 0.88 0.15 0.17 -0.71 2.01 0.57 -0.71 115.64 118.01 3hu9 s THR 26 Ca 0.71 -1.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 3hu9 s THR 26 Cb -0.48 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 70.70 3hu9 s THR 26 CO 0.35 -0.67 0.37 -0.51 -0.69 0.00 0.00 174.62 173.48 3hu9 s ILE 27 N -3.86 0.06 0.00 1.82 2.07 -0.26 -1.00 121.20 120.02 3hu9 s ILE 27 Ca 0.05 -1.13 0.00 0.00 -1.41 0.00 0.00 60.65 58.16 3hu9 s ILE 27 Cb 0.05 -1.70 0.00 0.00 0.13 0.00 0.00 42.46 40.94 3hu9 s ILE 27 CO -0.11 -0.25 0.00 0.61 -1.91 0.00 0.00 174.94 173.28 3hu9 n GLY 28 N -0.25 1.72 3.03 1.50 0.00 0.12 -1.10 105.19 110.21 3hu9 n GLY 28 Ca -0.09 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3hu9 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hu9 n ILE 29 N 0.00 4.55 -2.59 -0.61 5.41 -1.26 -1.47 119.36 123.39 3hu9 n ILE 29 Ca 0.00 -5.63 -0.17 0.00 1.00 0.00 0.00 62.75 57.95 3hu9 n ILE 29 Cb 0.00 -2.24 0.01 0.00 -0.71 0.00 0.00 39.64 36.70 3hu9 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hu9 n GLY 30 N 1.71 -0.29 3.54 7.39 0.00 -1.24 -4.87 105.19 111.42 3hu9 n GLY 30 Ca 0.25 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3hu9 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hu9 s HIS 31 N -2.94 2.72 0.10 1.61 5.04 -0.26 -4.92 115.29 116.65 3hu9 s HIS 31 Ca 0.12 0.11 -0.31 0.00 -1.54 0.00 0.00 55.06 53.44 3hu9 s HIS 31 Cb -0.05 -4.23 -0.08 0.00 0.04 0.00 0.00 32.58 28.26 3hu9 s HIS 31 CO 0.15 -1.44 1.51 -1.17 -2.34 0.00 0.00 174.74 171.44 3hu9 s LEU 32 N 4.30 4.36 -0.20 8.88 2.96 -1.26 -1.10 118.68 136.62 3hu9 s LEU 32 Ca 0.34 2.42 -0.15 0.00 -0.22 0.00 0.00 54.13 56.53 3hu9 s LEU 32 Cb -0.11 -3.58 -0.20 0.00 0.50 0.00 0.00 46.19 42.80 3hu9 s LEU 32 CO 0.21 -0.77 0.15 0.18 -1.32 0.00 0.00 176.35 174.81 3hu9 n LEU 33 N 4.51 2.17 -3.54 -0.68 4.77 0.12 -4.95 117.00 119.40 3hu9 n LEU 33 Ca 0.13 0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 56.34 3hu9 n LEU 33 Cb 0.41 -0.99 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 3hu9 n LEU 33 CO 0.60 0.53 0.76 0.28 -1.33 0.00 0.00 177.39 178.23 3hu9 s THR 34 N -2.45 0.00 -1.90 -5.08 -1.32 -1.18 -4.88 115.64 98.83 3hu9 s THR 34 Ca -0.29 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.45 3hu9 s THR 34 Cb 0.07 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.34 3hu9 s THR 34 CO 0.63 0.00 1.53 0.29 -2.21 0.00 0.00 174.62 174.86 3hu9 n LYS 35 N 0.15 1.01 -1.92 7.08 5.02 -1.26 -3.37 118.16 124.87 3hu9 n LYS 35 Ca -0.08 -0.63 -0.41 0.00 -2.02 0.00 0.00 58.31 55.16 3hu9 n LYS 35 Cb 0.60 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 3hu9 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hu9 s SER 36 N -2.43 6.52 0.00 4.39 0.15 -1.26 -4.91 113.70 116.16 3hu9 s SER 36 Ca 0.25 2.85 0.25 0.00 0.70 0.00 0.00 55.95 60.01 3hu9 s SER 36 Cb 0.19 -2.65 1.47 0.00 -1.71 0.00 0.00 66.02 63.33 3hu9 s SER 36 CO 0.50 -0.77 1.85 -0.81 1.20 0.00 0.00 173.24 175.21 3hu9 n PRO 37 N 1.41 0.74 -3.06 5.44 -0.04 -1.26 -4.70 135.00 133.52 3hu9 n PRO 37 Ca 0.04 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 3hu9 n PRO 37 Cb 0.40 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 3hu9 n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hu9 s ASP 38 N -2.05 6.41 0.47 3.54 3.68 -1.26 -4.93 116.67 122.53 3hu9 s ASP 38 Ca 0.36 0.01 0.14 0.00 2.13 0.00 0.00 52.55 55.18 3hu9 s ASP 38 Cb 0.17 -2.34 1.10 0.00 -1.45 0.00 0.00 42.92 40.40 3hu9 s ASP 38 CO 0.30 -0.72 2.07 0.25 0.13 0.00 0.00 175.17 177.20 3hu9 h LEU 39 N 9.64 0.23 -1.06 -1.34 5.85 -2.00 -1.42 115.31 125.21 3hu9 h LEU 39 Ca -0.26 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 3hu9 h LEU 39 Cb 1.10 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3hu9 h LEU 39 CO 0.88 0.15 -0.11 0.78 -0.34 0.00 0.00 178.44 179.81 3hu9 h ASN 40 N 0.26 0.52 -0.63 1.25 2.35 -1.98 -0.13 115.58 117.23 3hu9 h ASN 40 Ca 0.13 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3hu9 h ASN 40 Cb 0.21 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3hu9 h ASN 40 CO -0.03 0.67 0.05 0.00 -1.65 0.00 0.00 177.43 176.48 3hu9 h ALA 41 N 1.38 0.89 -0.58 -0.83 0.00 -1.67 -1.21 119.26 117.25 3hu9 h ALA 41 Ca 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hu9 h ALA 41 Cb 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hu9 h ALA 41 CO 0.03 0.67 0.20 0.00 0.00 0.00 0.00 179.25 180.14 3hu9 h ALA 42 N 1.05 0.76 -0.71 0.00 0.00 -1.09 -1.50 119.26 117.76 3hu9 h ALA 42 Ca 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hu9 h ALA 42 Cb 0.50 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3hu9 h ALA 42 CO 0.02 0.41 0.26 0.87 0.00 0.00 0.00 179.25 180.81 3hu9 h LYS 43 N 0.81 1.07 -0.22 0.00 1.57 -0.80 -0.21 116.57 118.80 3hu9 h LYS 43 Ca 0.19 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hu9 h LYS 43 Cb 0.26 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3hu9 h LYS 43 CO -0.01 0.89 0.12 0.77 -0.57 0.00 0.00 179.45 180.65 3hu9 h SER 44 N 1.04 0.28 -0.87 0.86 0.02 -1.00 -0.96 113.55 112.92 3hu9 h SER 44 Ca 0.24 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3hu9 h SER 44 Cb 0.23 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 3hu9 h SER 44 CO -0.02 0.28 0.57 -0.33 -1.14 0.00 0.00 176.83 176.19 3hu9 h GLU 45 N 0.24 1.09 -0.11 3.45 4.39 -0.93 -1.51 114.58 121.20 3hu9 h GLU 45 Ca 0.08 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3hu9 h GLU 45 Cb 0.07 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3hu9 h GLU 45 CO -0.01 0.72 0.06 1.25 -1.16 0.00 0.00 179.01 179.87 3hu9 h LEU 46 N 1.12 0.11 -1.03 1.33 5.85 -0.76 -0.34 115.31 121.59 3hu9 h LEU 46 Ca 0.33 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 3hu9 h LEU 46 Cb -0.06 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3hu9 h LEU 46 CO -0.10 0.08 0.24 0.44 -0.34 0.00 0.00 178.44 178.76 3hu9 h ASP 47 N 0.13 0.85 -0.66 1.25 3.32 -0.83 -0.70 116.42 119.79 3hu9 h ASP 47 Ca 0.04 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 3hu9 h ASP 47 Cb -0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3hu9 h ASP 47 CO -0.02 0.77 0.10 0.50 -1.72 0.00 0.00 179.24 178.88 3hu9 h LYS 48 N 0.91 1.09 -0.25 3.56 3.64 -1.12 0.16 116.57 124.56 3hu9 h LYS 48 Ca 0.21 -0.30 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 3hu9 h LYS 48 Cb 0.20 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3hu9 h LYS 48 CO -0.02 1.01 -0.40 0.00 -2.27 0.00 0.00 179.45 177.77 3hu9 h ALA 49 N 1.04 0.82 0.00 5.00 0.00 -0.15 -3.29 119.26 122.68 3hu9 h ALA 49 Ca 0.20 -0.44 -0.25 0.00 0.00 0.00 0.00 54.91 54.41 3hu9 h ALA 49 Cb 0.44 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3hu9 h ALA 49 CO 0.01 0.65 -1.72 -0.89 0.00 0.00 0.00 179.25 177.31 3hu9 n ILE 50 N -4.03 1.40 -0.70 0.00 2.08 -0.35 -5.00 119.36 112.75 3hu9 n ILE 50 Ca -0.02 -0.76 0.00 0.00 0.56 0.00 0.00 62.75 62.53 3hu9 n ILE 50 Cb 0.52 -0.83 0.00 0.00 -0.75 0.00 0.00 39.64 38.58 3hu9 n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hu9 n GLY 51 N 1.52 0.68 3.68 7.39 0.00 0.54 -5.06 105.19 113.94 3hu9 n GLY 51 Ca -0.16 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 3hu9 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hu9 s ARG 52 N -1.47 1.62 -0.61 1.61 1.70 -1.11 -5.05 118.95 115.65 3hu9 s ARG 52 Ca 0.00 -1.10 -0.28 0.00 -0.47 0.00 0.00 55.73 53.88 3hu9 s ARG 52 Cb 0.00 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 34.94 3hu9 s ARG 52 CO 0.00 -0.70 1.24 -0.80 -1.08 0.00 0.00 175.30 173.95 3hu9 s ASN 53 N -2.96 6.36 0.13 -2.89 -0.87 -1.26 -4.37 114.94 109.07 3hu9 s ASN 53 Ca 0.16 0.03 0.23 0.00 -1.57 0.00 0.00 52.86 51.71 3hu9 s ASN 53 Cb -0.03 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.62 3hu9 s ASN 53 CO 0.07 -1.58 0.96 0.00 -2.57 0.00 0.00 177.10 173.98 3hu9 n ASN 55 N -2.43 0.64 0.00 0.00 3.02 -1.26 -2.14 115.26 113.09 3hu9 n ASN 55 Ca -0.00 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 3hu9 n ASN 55 Cb 0.52 -1.71 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 3hu9 n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hu9 n GLY 56 N -2.52 0.56 2.91 7.41 0.00 -1.26 -5.01 105.19 107.28 3hu9 n GLY 56 Ca -0.32 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 3hu9 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hu9 s VAL 57 N -2.29 0.31 0.35 1.61 1.01 -0.91 -1.87 120.40 118.60 3hu9 s VAL 57 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3hu9 s VAL 57 Cb 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 3hu9 s VAL 57 CO 0.00 0.11 0.07 0.27 0.00 0.00 0.00 175.10 175.54 3hu9 s ILE 58 N 0.16 1.13 0.48 2.22 -4.36 -0.21 -4.75 121.20 115.87 3hu9 s ILE 58 Ca -0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 3hu9 s ILE 58 Cb -0.05 -2.71 0.01 0.00 1.25 0.00 0.00 42.46 40.96 3hu9 s ILE 58 CO -0.00 0.00 0.71 0.42 0.24 0.00 0.00 174.94 176.30 3hu9 s THR 59 N -3.25 3.69 0.21 8.37 -4.23 -1.26 -4.80 115.64 114.38 3hu9 s THR 59 Ca 0.33 -0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 60.25 3hu9 s THR 59 Cb 0.08 -3.37 0.14 0.00 1.34 0.00 0.00 72.50 70.69 3hu9 s THR 59 CO 0.15 -0.27 1.82 0.50 -0.54 0.00 0.00 174.62 176.28 3hu9 h LYS 60 N 0.29 0.74 -0.59 3.99 3.64 -1.99 -0.07 116.57 122.58 3hu9 h LYS 60 Ca -0.45 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 3hu9 h LYS 60 Cb 1.26 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 3hu9 h LYS 60 CO 0.56 0.49 0.36 -0.44 -2.27 0.00 0.00 179.45 178.15 3hu9 h ASP 61 N 0.76 0.59 -0.56 4.20 3.32 -1.99 -0.04 116.42 122.71 3hu9 h ASP 61 Ca 0.29 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3hu9 h ASP 61 Cb 0.12 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3hu9 h ASP 61 CO -0.15 0.41 0.23 -0.33 -1.72 0.00 0.00 179.24 177.68 3hu9 h GLU 62 N 0.72 0.83 -0.64 3.56 5.08 -1.79 -0.40 114.58 121.93 3hu9 h GLU 62 Ca 0.24 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3hu9 h GLU 62 Cb 0.01 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3hu9 h GLU 62 CO -0.10 0.71 0.40 0.00 -1.00 0.00 0.00 179.01 179.02 3hu9 h ALA 63 N 1.08 0.84 -0.13 3.43 0.00 -0.53 -1.56 119.26 122.38 3hu9 h ALA 63 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3hu9 h ALA 63 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hu9 h ALA 63 CO -0.02 0.15 -0.30 0.93 0.00 0.00 0.00 179.25 180.02 3hu9 h GLU 64 N 0.78 0.25 -0.22 0.00 5.08 -0.73 -1.05 114.58 118.69 3hu9 h GLU 64 Ca 0.26 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3hu9 h GLU 64 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3hu9 h GLU 64 CO -0.10 0.53 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.22 3hu9 h LYS 65 N 0.22 0.39 -0.92 2.33 3.64 -0.59 -0.76 116.57 120.88 3hu9 h LYS 65 Ca 0.03 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3hu9 h LYS 65 Cb 0.64 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 3hu9 h LYS 65 CO 0.05 0.58 0.60 -0.07 -2.27 0.00 0.00 179.45 178.34 3hu9 h LEU 66 N 0.16 1.00 -0.45 5.20 3.38 -1.12 -1.71 115.31 121.77 3hu9 h LEU 66 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3hu9 h LEU 66 Cb 0.40 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3hu9 h LEU 66 CO 0.01 0.70 0.08 0.15 0.09 0.00 0.00 178.44 179.47 3hu9 h PHE 67 N 1.17 0.78 -0.62 1.13 3.57 -0.91 0.14 116.94 122.20 3hu9 h PHE 67 Ca 0.36 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 3hu9 h PHE 67 Cb -0.01 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3hu9 h PHE 67 CO -0.00 0.74 0.26 -0.97 -2.23 0.00 0.00 178.31 176.10 3hu9 h ASN 68 N 0.60 0.85 -0.67 0.41 -0.00 -0.81 0.43 115.58 116.39 3hu9 h ASN 68 Ca 0.14 -0.17 -0.01 0.00 -0.00 0.00 0.00 56.30 56.26 3hu9 h ASN 68 Cb 0.37 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.44 3hu9 h ASN 68 CO 0.01 0.78 0.39 1.56 -0.00 0.00 0.00 177.43 180.18 3hu9 h GLN 69 N 0.87 0.92 -0.42 6.67 4.20 -0.98 -1.84 115.11 124.52 3hu9 h GLN 69 Ca 0.21 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.68 3hu9 h GLN 69 Cb 0.19 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3hu9 h GLN 69 CO -0.02 0.67 -0.32 -0.44 -0.67 0.00 0.00 178.83 178.04 3hu9 h ASP 70 N 0.91 1.02 -0.19 1.46 3.32 -0.15 -0.22 116.42 122.57 3hu9 h ASP 70 Ca 0.24 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 3hu9 h ASP 70 Cb -0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3hu9 h ASP 70 CO -0.04 1.24 0.04 0.58 -1.72 0.00 0.00 179.24 179.34 3hu9 h VAL 71 N 0.81 1.21 -0.46 -1.35 2.07 -0.89 -1.12 116.25 116.52 3hu9 h VAL 71 Ca 0.08 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3hu9 h VAL 71 Cb 0.92 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 3hu9 h VAL 71 CO 0.09 0.21 0.28 -0.78 0.02 0.00 0.00 177.57 177.39 3hu9 h ASP 72 N 0.12 0.46 -0.45 0.57 3.58 -1.24 -1.55 116.42 117.91 3hu9 h ASP 72 Ca 0.06 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 3hu9 h ASP 72 Cb 0.29 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 3hu9 h ASP 72 CO 0.00 0.33 0.11 0.00 -2.88 0.00 0.00 179.24 176.80 3hu9 h ALA 73 N 1.19 1.23 -0.16 -0.78 0.00 -0.94 -0.62 119.26 119.18 3hu9 h ALA 73 Ca 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hu9 h ALA 73 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hu9 h ALA 73 CO -0.07 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.79 3hu9 h ALA 74 N 1.36 0.20 -0.20 0.00 0.00 -0.66 -0.01 119.26 119.96 3hu9 h ALA 74 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hu9 h ALA 74 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hu9 h ALA 74 CO 0.00 -0.27 0.07 0.28 0.00 0.00 0.00 179.25 179.33 3hu9 h VAL 75 N 0.16 1.18 -0.54 0.00 2.07 -1.01 -2.02 116.25 116.10 3hu9 h VAL 75 Ca 0.06 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3hu9 h VAL 75 Cb 0.07 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3hu9 h VAL 75 CO -0.01 0.17 0.20 -0.09 0.02 0.00 0.00 177.57 177.86 3hu9 h ARG 76 N 0.15 0.78 -0.55 1.57 9.65 -1.07 -1.83 114.38 123.09 3hu9 h ARG 76 Ca 0.06 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3hu9 h ARG 76 Cb 0.21 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 3hu9 h ARG 76 CO -0.00 0.66 0.36 0.78 2.80 0.00 0.00 179.97 184.56 3hu9 h GLY 77 N 0.91 0.77 0.75 2.80 0.00 -0.78 -0.82 103.07 106.69 3hu9 h GLY 77 Ca 0.18 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.27 3hu9 h GLY 77 CO -0.01 0.27 0.26 -2.22 0.00 0.00 0.00 176.54 174.84 3hu9 h ILE 78 N 0.73 0.97 -0.07 2.60 2.04 -0.74 -1.95 117.51 121.09 3hu9 h ILE 78 Ca 0.20 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 3hu9 h ILE 78 Cb -0.08 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3hu9 h ILE 78 CO -0.05 0.09 -0.23 -0.07 0.00 0.00 0.00 178.15 177.90 3hu9 h LEU 79 N 0.51 0.12 -0.19 1.44 3.38 -0.85 -1.85 115.31 117.86 3hu9 h LEU 79 Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hu9 h LEU 79 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3hu9 h LEU 79 CO -0.15 0.35 -0.08 0.54 0.09 0.00 0.00 178.44 179.20 3hu9 n ARG 80 N -4.22 0.68 -3.56 1.13 1.74 -0.36 -4.75 116.66 107.32 3hu9 n ARG 80 Ca -0.02 -0.19 -0.38 0.00 -0.77 0.00 0.00 57.85 56.49 3hu9 n ARG 80 Cb 0.31 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 3hu9 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hu9 s ASN 81 N -2.45 6.05 0.50 0.55 3.84 -0.70 -4.97 114.94 117.76 3hu9 s ASN 81 Ca 0.30 -0.05 0.18 0.00 0.21 0.00 0.00 52.86 53.51 3hu9 s ASN 81 Cb 0.20 -2.13 1.25 0.00 -0.55 0.00 0.00 41.25 40.02 3hu9 s ASN 81 CO 0.46 -0.09 2.09 0.00 -2.79 0.00 0.00 177.10 176.77 3hu9 h ALA 82 N 8.37 1.75 0.09 1.71 0.00 -1.87 0.47 119.26 129.78 3hu9 h ALA 82 Ca -0.34 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 3hu9 h ALA 82 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3hu9 h ALA 82 CO 0.57 0.11 -1.25 0.87 0.00 0.00 0.00 179.25 179.55 3hu9 h LYS 83 N 0.00 0.18 0.09 0.00 1.57 -1.93 -3.39 116.57 113.10 3hu9 h LYS 83 Ca -0.00 -0.31 -0.34 0.00 -1.87 0.00 0.00 60.65 58.13 3hu9 h LYS 83 Cb 0.16 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3hu9 h LYS 83 CO 0.01 1.11 -1.87 -0.07 -0.57 0.00 0.00 179.45 178.06 3hu9 h LEU 84 N 0.05 0.31 -0.16 2.94 3.38 -1.65 -3.40 115.31 116.79 3hu9 h LEU 84 Ca -0.13 -0.67 0.05 0.00 0.09 0.00 0.00 57.88 57.22 3hu9 h LEU 84 Cb 1.93 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.52 3hu9 h LEU 84 CO 0.17 1.60 -0.19 0.50 0.09 0.00 0.00 178.44 180.61 3hu9 h LYS 85 N 0.05 -0.22 -0.52 1.13 3.64 -0.85 0.00 116.57 119.80 3hu9 h LYS 85 Ca -0.37 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 3hu9 h LYS 85 Cb 2.03 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.88 3hu9 h LYS 85 CO 0.10 -0.15 0.25 -1.00 -2.27 0.00 0.00 179.45 176.38 3hu9 h PRO 86 N -0.23 0.72 -0.07 1.90 0.13 -1.78 0.79 132.00 133.46 3hu9 h PRO 86 Ca 0.11 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3hu9 h PRO 86 Cb 0.39 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.38 3hu9 h PRO 86 CO -0.30 0.56 -0.01 0.28 -0.23 0.00 0.00 178.00 178.31 3hu9 h VAL 87 N 0.73 1.27 -0.29 1.56 2.07 -1.62 -2.15 116.25 117.82 3hu9 h VAL 87 Ca 0.18 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.91 3hu9 h VAL 87 Cb 0.08 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3hu9 h VAL 87 CO -0.02 0.24 -0.05 0.22 0.02 0.00 0.00 177.57 177.97 3hu9 h TYR 88 N -0.18 -0.11 0.00 1.57 3.20 -0.60 -1.61 116.97 119.24 3hu9 h TYR 88 Ca 0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3hu9 h TYR 88 Cb 0.38 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 3hu9 h TYR 88 CO 0.04 -0.10 -0.07 -0.44 -1.64 0.00 0.00 178.16 175.95 3hu9 h ASP 89 N 0.03 0.00 1.51 -2.11 3.32 -0.81 -1.86 116.42 116.50 3hu9 h ASP 89 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3hu9 h ASP 89 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3hu9 h ASP 89 CO -0.28 0.07 0.00 0.77 -1.72 0.00 0.00 179.24 178.08 3hu9 h SER 90 N 0.00 0.00 -3.99 6.45 4.64 -0.60 -3.46 113.55 116.59 3hu9 h SER 90 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3hu9 h SER 90 Cb 0.34 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3hu9 h SER 90 CO 0.01 0.00 0.27 -0.76 -0.87 0.00 0.00 176.83 175.48 3hu9 s LEU 91 N -5.91 3.61 0.93 5.97 1.43 -0.70 -5.08 118.68 118.93 3hu9 s LEU 91 Ca 0.05 1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 54.34 3hu9 s LEU 91 Cb 0.07 -4.26 0.15 0.00 0.03 0.00 0.00 46.19 42.18 3hu9 s LEU 91 CO 0.60 -0.59 1.12 1.51 0.23 0.00 0.00 176.35 179.22 3hu9 s ASP 92 N -3.48 3.33 0.34 2.29 1.47 -1.26 -4.81 116.67 114.54 3hu9 s ASP 92 Ca 0.54 1.05 0.02 0.00 1.18 0.00 0.00 52.55 55.34 3hu9 s ASP 92 Cb -0.10 -1.66 0.59 0.00 -0.34 0.00 0.00 42.92 41.40 3hu9 s ASP 92 CO 0.38 -2.68 1.96 0.00 0.68 0.00 0.00 175.17 175.51 3hu9 h ALA 93 N -1.58 1.46 -0.08 2.11 0.00 -1.97 -0.62 119.26 118.59 3hu9 h ALA 93 Ca -0.51 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 3hu9 h ALA 93 Cb 1.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hu9 h ALA 93 CO 0.61 0.45 -0.27 0.28 0.00 0.00 0.00 179.25 180.31 3hu9 h VAL 94 N 0.81 1.42 -0.15 0.00 2.07 -1.94 -2.89 116.25 115.57 3hu9 h VAL 94 Ca 0.21 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.02 3hu9 h VAL 94 Cb 0.02 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3hu9 h VAL 94 CO -0.03 0.47 -0.14 0.03 0.02 0.00 0.00 177.57 177.91 3hu9 h ARG 95 N -0.16 0.25 -0.82 1.57 3.08 -1.76 -0.96 114.38 115.57 3hu9 h ARG 95 Ca -0.01 -0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.09 3hu9 h ARG 95 Cb 0.91 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.87 3hu9 h ARG 95 CO 0.06 0.40 0.54 0.00 -1.07 0.00 0.00 179.97 179.89 3hu9 h ARG 96 N 0.23 0.71 -0.47 0.04 3.08 -1.03 -1.38 114.38 115.56 3hu9 h ARG 96 Ca 0.05 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3hu9 h ARG 96 Cb 0.40 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3hu9 h ARG 96 CO 0.02 0.47 -0.02 0.00 -1.07 0.00 0.00 179.97 179.38 3hu9 h ALA 98 N 1.25 1.11 -0.44 0.00 0.00 -1.04 -0.75 119.26 119.39 3hu9 h ALA 98 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hu9 h ALA 98 Cb 0.47 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hu9 h ALA 98 CO 0.02 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.05 3hu9 h ALA 99 N 1.23 0.58 -0.72 0.00 0.00 -0.88 -1.48 119.26 117.99 3hu9 h ALA 99 Ca 0.28 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hu9 h ALA 99 Cb 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hu9 h ALA 99 CO -0.03 0.25 0.34 0.82 0.00 0.00 0.00 179.25 180.63 3hu9 h ILE 100 N 0.58 1.24 -0.12 0.00 2.04 -0.89 -1.83 117.51 118.52 3hu9 h ILE 100 Ca 0.14 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.34 3hu9 h ILE 100 Cb 0.29 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3hu9 h ILE 100 CO -0.00 0.28 0.04 -1.13 0.00 0.00 0.00 178.15 177.34 3hu9 h ASN 101 N 1.01 0.05 -0.47 1.72 -0.73 -0.87 0.12 115.58 116.40 3hu9 h ASN 101 Ca 0.25 0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.49 3hu9 h ASN 101 Cb 0.12 0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.66 3hu9 h ASN 101 CO -0.03 0.05 0.17 1.56 -0.37 0.00 0.00 177.43 178.80 3hu9 h GLN 102 N 0.10 0.33 -0.45 6.67 4.20 -1.04 -1.35 115.11 123.57 3hu9 h GLN 102 Ca 0.05 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 3hu9 h GLN 102 Cb 0.03 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3hu9 h GLN 102 CO -0.05 0.22 -0.19 0.28 -0.67 0.00 0.00 178.83 178.41 3hu9 h VAL 103 N 0.34 1.27 -0.65 -0.54 2.07 -1.04 0.08 116.25 117.78 3hu9 h VAL 103 Ca 0.22 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.46 3hu9 h VAL 103 Cb 0.23 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3hu9 h VAL 103 CO -0.23 0.45 0.39 0.15 0.02 0.00 0.00 177.57 178.35 3hu9 h PHE 104 N 0.77 0.73 -0.04 1.57 3.57 -0.34 0.21 116.94 123.41 3hu9 h PHE 104 Ca 0.11 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 3hu9 h PHE 104 Cb 0.73 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 39.24 3hu9 h PHE 104 CO 0.04 0.40 -0.44 0.37 -2.23 0.00 0.00 178.31 176.45 3hu9 h GLN 105 N 0.75 0.37 0.00 1.11 4.15 -1.00 -3.39 115.11 117.11 3hu9 h GLN 105 Ca 0.27 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3hu9 h GLN 105 Cb 0.07 0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3hu9 h GLN 105 CO -0.13 1.01 -1.64 -1.33 -1.93 0.00 0.00 178.83 174.82 3hu9 n MET 106 N -4.33 0.65 0.00 1.69 2.81 -0.01 -5.10 117.12 112.83 3hu9 n MET 106 Ca -0.09 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 3hu9 n MET 106 Cb 0.58 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 3hu9 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hu9 n GLY 107 N 1.42 -1.59 0.00 3.03 0.00 0.73 -4.61 105.19 104.18 3hu9 n GLY 107 Ca -0.02 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.78 3hu9 n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hu9 n GLU 108 N -0.32 1.69 0.00 1.61 1.02 -1.26 -4.64 120.64 118.74 3hu9 n GLU 108 Ca 0.00 -0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 3hu9 n GLU 108 Cb 0.00 -1.25 0.54 0.00 -0.02 0.00 0.00 31.44 30.71 3hu9 n GLU 108 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hu9 n THR 109 N -1.46 0.34 -0.45 2.62 -2.24 -1.26 -2.15 114.28 109.68 3hu9 n THR 109 Ca 0.02 0.09 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 3hu9 n THR 109 Cb 0.27 -0.69 0.25 0.00 -2.10 0.00 0.00 70.33 68.05 3hu9 n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hu9 n GLY 110 N 0.80 2.93 0.23 3.38 0.00 -1.26 -4.70 105.19 106.57 3hu9 n GLY 110 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3hu9 n GLY 110 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hu9 h VAL 111 N 2.87 0.48 -0.16 1.61 2.07 -1.74 -1.26 116.25 120.12 3hu9 h VAL 111 Ca 0.00 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3hu9 h VAL 111 Cb 1.06 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3hu9 h VAL 111 CO 0.09 0.02 0.12 0.00 0.02 0.00 0.00 177.57 177.81 3hu9 h ALA 112 N 1.56 2.14 -0.12 1.67 0.00 -1.84 0.31 119.26 122.99 3hu9 h ALA 112 Ca 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3hu9 h ALA 112 Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hu9 h ALA 112 CO -0.53 -0.20 -0.05 0.78 0.00 0.00 0.00 179.25 179.25 3hu9 h GLY 113 N 0.00 0.18 -2.50 0.00 0.00 -1.58 -2.70 103.07 96.46 3hu9 h GLY 113 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3hu9 h GLY 113 CO -0.00 0.08 0.00 0.69 0.00 0.00 0.00 176.54 177.31 3hu9 n PHE 114 N -4.38 1.23 -0.26 5.60 3.01 0.11 -4.58 117.46 118.18 3hu9 n PHE 114 Ca -0.01 -0.44 0.07 0.00 1.01 0.00 0.00 57.45 58.08 3hu9 n PHE 114 Cb 0.19 -0.30 0.20 0.00 -0.01 0.00 0.00 39.48 39.55 3hu9 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3hu9 h THR 115 N 2.64 0.38 -0.28 4.37 2.02 -1.43 -0.13 112.91 120.48 3hu9 h THR 115 Ca 0.00 -0.06 -0.16 0.00 0.77 0.00 0.00 66.41 66.96 3hu9 h THR 115 Cb 1.31 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3hu9 h THR 115 CO 0.26 0.03 -0.46 0.78 0.37 0.00 0.00 175.52 176.51 3hu9 h ASN 116 N 0.17 0.88 -0.66 4.18 -0.26 -1.86 -1.99 115.58 116.04 3hu9 h ASN 116 Ca 0.45 -0.52 -0.07 0.00 -0.56 0.00 0.00 56.30 55.59 3hu9 h ASN 116 Cb 0.82 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.80 3hu9 h ASN 116 CO -0.62 1.23 0.13 0.77 -1.06 0.00 0.00 177.43 177.89 3hu9 h SER 117 N 0.56 1.03 -0.63 5.81 4.64 -1.72 -2.01 113.55 121.21 3hu9 h SER 117 Ca 0.02 -0.25 0.03 0.00 -0.47 0.00 0.00 61.79 61.12 3hu9 h SER 117 Cb 1.06 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 3hu9 h SER 117 CO 0.10 1.01 0.39 -0.07 -0.87 0.00 0.00 176.83 177.40 3hu9 h LEU 118 N 1.00 0.65 -0.39 5.97 3.38 -0.97 -0.08 115.31 124.86 3hu9 h LEU 118 Ca 0.20 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3hu9 h LEU 118 Cb 0.40 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hu9 h LEU 118 CO 0.01 0.45 0.19 -0.09 0.09 0.00 0.00 178.44 179.09 3hu9 h ARG 119 N 0.77 0.57 -0.50 1.13 2.43 -1.15 -0.56 114.38 117.07 3hu9 h ARG 119 Ca 0.25 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3hu9 h ARG 119 Cb 0.01 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3hu9 h ARG 119 CO -0.10 0.50 0.13 0.52 -1.51 0.00 0.00 179.97 179.52 3hu9 h MET 120 N 0.49 0.75 -0.36 0.20 2.86 -0.95 -0.73 114.93 117.20 3hu9 h MET 120 Ca 0.13 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 3hu9 h MET 120 Cb 0.12 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3hu9 h MET 120 CO -0.02 0.67 -0.05 -0.07 1.06 0.00 0.00 176.91 178.51 3hu9 h LEU 121 N 0.73 0.66 -1.36 1.22 3.38 -0.74 -0.76 115.31 118.43 3hu9 h LEU 121 Ca 0.17 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3hu9 h LEU 121 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3hu9 h LEU 121 CO -0.00 0.85 0.08 -0.61 0.09 0.00 0.00 178.44 178.84 3hu9 h GLN 122 N 0.46 0.50 0.00 1.13 4.15 -0.72 -0.82 115.11 119.82 3hu9 h GLN 122 Ca 0.09 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3hu9 h GLN 122 Cb 0.54 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3hu9 h GLN 122 CO 0.03 0.47 0.00 1.04 -1.93 0.00 0.00 178.83 178.44 3hu9 n GLN 123 N -4.34 0.43 -3.13 1.69 6.02 -0.31 -4.91 117.38 112.82 3hu9 n GLN 123 Ca 0.02 0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.80 3hu9 n GLN 123 Cb 0.19 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.99 3hu9 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hu9 n LYS 124 N -1.27 -5.53 -2.93 -1.09 5.02 -0.31 -4.92 118.16 107.13 3hu9 n LYS 124 Ca 0.14 0.90 -0.44 0.00 -2.02 0.00 0.00 58.31 56.89 3hu9 n LYS 124 Cb 0.21 -5.81 0.00 0.00 -0.02 0.00 0.00 35.03 29.42 3hu9 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hu9 n ARG 125 N -4.24 3.63 -0.16 1.97 1.74 -0.38 -4.89 116.66 114.34 3hu9 n ARG 125 Ca -0.09 -4.05 -0.10 0.00 -0.77 0.00 0.00 57.85 52.84 3hu9 n ARG 125 Cb 0.61 -2.81 -0.00 0.00 -1.02 0.00 0.00 32.46 29.24 3hu9 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3hu9 h TRP 126 N 6.47 0.95 -0.35 -1.55 -0.00 -1.89 0.15 115.95 119.73 3hu9 h TRP 126 Ca 0.28 -0.18 -0.15 0.00 -0.00 0.00 0.00 58.89 58.83 3hu9 h TRP 126 Cb 0.78 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 29.70 3hu9 h TRP 126 CO 1.03 0.92 -0.40 -0.44 -0.00 0.00 0.00 178.44 179.55 3hu9 h ASP 127 N 0.70 0.91 -0.56 -3.49 5.19 -1.90 -1.29 116.42 115.98 3hu9 h ASP 127 Ca 0.12 -0.42 -0.04 0.00 -0.62 0.00 0.00 57.03 56.08 3hu9 h ASP 127 Cb 0.58 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 3hu9 h ASP 127 CO 0.03 1.19 0.21 -0.33 -3.12 0.00 0.00 179.24 177.22 3hu9 h GLU 128 N 0.69 0.85 -0.58 3.56 5.08 -1.93 -1.25 114.58 120.99 3hu9 h GLU 128 Ca 0.05 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3hu9 h GLU 128 Cb 0.97 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3hu9 h GLU 128 CO 0.09 0.74 0.31 0.00 -1.00 0.00 0.00 179.01 179.16 3hu9 h ALA 129 N 1.06 0.75 -0.71 3.43 0.00 -0.81 -1.31 119.26 121.67 3hu9 h ALA 129 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hu9 h ALA 129 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hu9 h ALA 129 CO -0.01 0.27 0.40 0.00 0.00 0.00 0.00 179.25 179.91 3hu9 h ALA 130 N 1.14 0.91 -0.55 0.00 0.00 -0.94 0.55 119.26 120.36 3hu9 h ALA 130 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hu9 h ALA 130 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3hu9 h ALA 130 CO -0.03 0.41 0.32 0.28 0.00 0.00 0.00 179.25 180.22 3hu9 h VAL 131 N 0.97 1.18 -0.54 0.00 2.07 -0.97 -2.94 116.25 116.01 3hu9 h VAL 131 Ca 0.25 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3hu9 h VAL 131 Cb 0.02 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3hu9 h VAL 131 CO -0.04 0.19 -0.05 -1.13 0.02 0.00 0.00 177.57 176.56 3hu9 h ASN 132 N 0.74 0.95 0.03 0.57 -0.73 -0.72 -2.93 115.58 113.49 3hu9 h ASN 132 Ca 0.20 -0.28 -0.03 0.00 1.87 0.00 0.00 56.30 58.06 3hu9 h ASN 132 Cb 0.02 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.35 3hu9 h ASN 132 CO -0.03 1.03 -0.08 -0.07 -0.37 0.00 0.00 177.43 177.91 3hu9 h LEU 133 N 0.88 0.12 -0.19 0.34 3.38 -0.74 -1.99 115.31 117.11 3hu9 h LEU 133 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hu9 h LEU 133 Cb 0.58 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hu9 h LEU 133 CO 0.03 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3hu9 h ALA 134 N 1.80 1.00 -0.42 1.53 0.00 -1.37 -3.36 119.26 118.44 3hu9 h ALA 134 Ca 0.03 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.21 3hu9 h ALA 134 Cb 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3hu9 h ALA 134 CO 0.01 0.00 2.65 1.63 0.00 0.00 0.00 179.25 183.54 3hu9 n LYS 135 N -2.32 3.27 -3.58 0.00 5.02 -0.75 -4.67 118.16 115.13 3hu9 n LYS 135 Ca 0.05 -3.02 -0.14 0.00 -2.02 0.00 0.00 58.31 53.17 3hu9 n LYS 135 Cb 0.39 -3.09 -0.06 0.00 -0.02 0.00 0.00 35.03 32.25 3hu9 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hu9 s SER 136 N 2.04 -0.45 0.24 4.39 1.04 -1.26 -5.01 113.70 114.69 3hu9 s SER 136 Ca 0.44 0.23 -0.06 0.00 0.48 0.00 0.00 55.95 57.05 3hu9 s SER 136 Cb 0.12 0.49 0.31 0.00 0.10 0.00 0.00 66.02 67.04 3hu9 s SER 136 CO -0.05 -0.69 1.88 -0.09 0.98 0.00 0.00 173.24 175.27 3hu9 h ARG 137 N 2.86 1.07 -0.39 4.02 2.43 -1.93 -1.96 114.38 120.49 3hu9 h ARG 137 Ca -0.30 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 58.88 3hu9 h ARG 137 Cb 1.20 -0.24 -0.09 0.00 -0.42 0.00 0.00 29.97 30.42 3hu9 h ARG 137 CO 0.41 0.71 -0.31 2.35 -1.51 0.00 0.00 179.97 181.61 3hu9 h TRP 138 N 1.10 -0.86 -0.40 2.20 7.01 -1.95 0.01 115.95 123.07 3hu9 h TRP 138 Ca 0.37 0.06 -0.05 0.00 2.11 0.00 0.00 58.89 61.38 3hu9 h TRP 138 Cb 0.06 0.44 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 3hu9 h TRP 138 CO -0.02 -0.37 0.07 -0.92 -2.79 0.00 0.00 178.44 174.41 3hu9 h TYR 139 N -0.25 0.70 -0.19 2.65 3.20 -1.75 -1.57 116.97 119.77 3hu9 h TYR 139 Ca 0.17 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3hu9 h TYR 139 Cb 0.53 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3hu9 h TYR 139 CO -0.52 0.69 -0.14 -0.91 -1.64 0.00 0.00 178.16 175.63 3hu9 h ASN 140 N 0.51 0.30 0.47 -2.11 4.21 -0.64 -1.16 115.58 117.17 3hu9 h ASN 140 Ca 0.12 -0.07 -0.30 0.00 1.21 0.00 0.00 56.30 57.26 3hu9 h ASN 140 Cb 0.36 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 3hu9 h ASN 140 CO 0.01 0.47 -1.52 1.56 -1.29 0.00 0.00 177.43 176.66 3hu9 h GLN 141 N 0.30 0.22 -2.09 0.81 1.08 -0.91 -3.39 115.11 111.12 3hu9 h GLN 141 Ca 0.06 -0.38 -0.57 0.00 -1.45 0.00 0.00 58.65 56.30 3hu9 h GLN 141 Cb 0.44 0.14 -0.40 0.00 -0.05 0.00 0.00 27.48 27.61 3hu9 h GLN 141 CO 0.03 1.08 -0.88 0.25 -0.95 0.00 0.00 178.83 178.35 3hu9 n THR 142 N -3.43 0.80 -0.04 -0.54 -2.24 -0.60 -4.98 114.28 103.26 3hu9 n THR 142 Ca -0.16 -4.64 -0.06 0.00 -2.27 0.00 0.00 64.05 56.92 3hu9 n THR 142 Cb 1.04 -1.83 0.14 0.00 -2.10 0.00 0.00 70.33 67.57 3hu9 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3hu9 h PRO 143 N 3.91 0.64 -0.39 -0.78 0.13 -1.41 -0.14 132.00 133.95 3hu9 h PRO 143 Ca 0.13 -0.25 -0.13 0.00 -0.87 0.00 0.00 66.00 64.88 3hu9 h PRO 143 Cb 0.78 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3hu9 h PRO 143 CO 0.64 0.82 -0.25 -0.44 -0.23 0.00 0.00 178.00 178.54 3hu9 h ASP 144 N 0.56 0.90 -0.18 1.44 3.32 -1.94 0.17 116.42 120.70 3hu9 h ASP 144 Ca 0.08 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 3hu9 h ASP 144 Cb 0.71 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3hu9 h ASP 144 CO 0.05 1.14 -0.07 -0.09 -1.72 0.00 0.00 179.24 178.55 3hu9 h ARG 145 N 0.68 0.37 -0.96 3.56 2.43 -1.95 -2.84 114.38 115.66 3hu9 h ARG 145 Ca 0.08 -0.15 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3hu9 h ARG 145 Cb 0.83 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.30 3hu9 h ARG 145 CO 0.07 0.65 0.62 0.00 -1.51 0.00 0.00 179.97 179.81 3hu9 h ALA 146 N 0.70 1.30 -0.99 2.80 0.00 -0.94 -1.41 119.26 120.72 3hu9 h ALA 146 Ca 0.04 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hu9 h ALA 146 Cb 0.53 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3hu9 h ALA 146 CO 0.02 0.46 0.65 -0.22 0.00 0.00 0.00 179.25 180.16 3hu9 h LYS 147 N 1.18 1.20 -0.46 0.00 3.64 -0.90 0.24 116.57 121.47 3hu9 h LYS 147 Ca 0.40 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.62 3hu9 h LYS 147 Cb 0.07 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3hu9 h LYS 147 CO -0.14 0.80 -0.05 0.00 -2.27 0.00 0.00 179.45 177.78 3hu9 h ARG 148 N 1.24 0.84 -0.36 1.90 3.08 -1.07 -0.60 114.38 119.41 3hu9 h ARG 148 Ca 0.40 -0.29 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 3hu9 h ARG 148 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3hu9 h ARG 148 CO -0.13 0.92 -0.22 0.28 -1.07 0.00 0.00 179.97 179.75 3hu9 h VAL 149 N 0.68 1.29 -0.70 2.04 2.07 -0.85 -1.93 116.25 118.85 3hu9 h VAL 149 Ca 0.12 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 3hu9 h VAL 149 Cb 0.57 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3hu9 h VAL 149 CO 0.03 0.45 0.30 0.40 0.02 0.00 0.00 177.57 178.77 3hu9 h ILE 150 N 0.57 1.24 -0.83 4.57 2.04 -0.45 -0.99 117.51 123.65 3hu9 h ILE 150 Ca 0.07 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.22 3hu9 h ILE 150 Cb 0.77 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3hu9 h ILE 150 CO 0.06 0.29 0.55 0.74 0.00 0.00 0.00 178.15 179.80 3hu9 h THR 151 N 0.99 1.20 -0.44 -0.27 2.02 -0.91 0.17 112.91 115.67 3hu9 h THR 151 Ca 0.23 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3hu9 h THR 151 Cb 0.18 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 3hu9 h THR 151 CO -0.02 0.20 0.14 0.74 0.37 0.00 0.00 175.52 176.95 3hu9 h THR 152 N 1.12 1.22 -0.67 3.16 2.02 -0.69 -0.23 112.91 118.84 3hu9 h THR 152 Ca 0.31 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 3hu9 h THR 152 Cb -0.11 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3hu9 h THR 152 CO -0.07 0.26 0.27 -0.26 0.37 0.00 0.00 175.52 176.08 3hu9 h PHE 153 N 0.56 0.99 -0.32 3.16 0.05 -0.67 -0.11 116.94 120.60 3hu9 h PHE 153 Ca 0.14 -0.06 -0.11 0.00 3.82 0.00 0.00 57.97 61.76 3hu9 h PHE 153 Cb 0.26 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 3hu9 h PHE 153 CO 0.01 0.76 -0.23 -0.09 -0.18 0.00 0.00 178.31 178.57 3hu9 h ARG 154 N 0.96 0.73 0.00 1.51 2.43 -0.30 -3.38 114.38 116.34 3hu9 h ARG 154 Ca 0.23 -0.35 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 3hu9 h ARG 154 Cb 0.18 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3hu9 h ARG 154 CO -0.02 0.97 -1.79 0.25 -1.51 0.00 0.00 179.97 177.86 3hu9 n THR 155 N -4.28 0.33 -1.89 0.20 -2.24 -0.13 -4.77 114.28 101.50 3hu9 n THR 155 Ca -0.03 -0.44 -0.17 0.00 -2.27 0.00 0.00 64.05 61.15 3hu9 n THR 155 Cb 0.44 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 3hu9 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hu9 n GLY 156 N 1.80 0.69 3.51 3.38 0.00 -0.06 -4.99 105.19 109.52 3hu9 n GLY 156 Ca -0.10 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 3hu9 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hu9 s THR 157 N -2.72 1.61 -0.41 2.61 -4.23 -1.26 -4.78 115.64 106.46 3hu9 s THR 157 Ca 0.00 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.57 3hu9 s THR 157 Cb 0.00 -2.79 0.61 0.00 1.34 0.00 0.00 72.50 71.66 3hu9 s THR 157 CO 0.00 -0.07 1.49 0.79 -0.54 0.00 0.00 174.62 176.29 3hu9 n TRP 158 N -0.77 1.72 -0.20 3.99 7.02 -1.26 -4.53 117.44 123.41 3hu9 n TRP 158 Ca -0.04 -0.71 0.13 0.00 -1.02 0.00 0.00 57.50 55.86 3hu9 n TRP 158 Cb 0.66 -0.48 0.44 0.00 -2.42 0.00 0.00 31.31 29.51 3hu9 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3hu9 h ASP 159 N 2.66 0.51 0.72 -0.99 3.32 -1.94 -0.60 116.42 120.10 3hu9 h ASP 159 Ca 0.08 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3hu9 h ASP 159 Cb 1.77 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.24 3hu9 h ASP 159 CO 0.46 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 178.25 3hu9 n ALA 160 N -2.48 2.02 0.25 3.45 0.00 -1.26 -3.03 120.51 119.46 3hu9 n ALA 160 Ca 0.15 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.55 3hu9 n ALA 160 Cb 0.48 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.62 3hu9 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hu9 n TYR 161 N -1.48 0.05 -0.71 0.00 4.02 -0.25 -4.94 117.16 113.84 3hu9 n TYR 161 Ca 0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3hu9 n TYR 161 Cb 0.25 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3hu9 n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48