#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5a h GLU 2 N 0.00 0.32 -0.75 2.12 4.57 -1.92 -2.07 114.58 116.86 1a5a h GLU 2 Ca 0.00 -0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.33 1a5a h GLU 2 Cb 0.00 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 1a5a h GLU 2 CO 0.00 0.21 0.51 0.00 -1.18 0.00 0.00 179.01 178.55 1a5a h ARG 3 N 0.33 0.29 -0.13 1.92 3.08 -1.97 -0.68 114.38 117.23 1a5a h ARG 3 Ca 0.73 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.72 1a5a h ARG 3 Cb 1.65 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 1a5a h ARG 3 CO -0.60 0.19 -0.09 1.88 -1.07 0.00 0.00 179.97 180.28 1a5a h TYR 4 N 0.30 0.33 -0.27 3.04 0.05 -1.71 -1.07 116.97 117.65 1a5a h TYR 4 Ca 0.37 -0.09 0.06 0.00 0.05 0.00 0.00 58.73 59.12 1a5a h TYR 4 Cb 1.01 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.62 1a5a h TYR 4 CO -0.00 0.66 -0.12 1.49 -1.05 0.00 0.00 178.16 179.13 1a5a h GLU 5 N -0.09 -0.08 -0.15 4.88 4.81 -1.26 0.53 114.58 123.22 1a5a h GLU 5 Ca 0.02 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1a5a h GLU 5 Cb 0.59 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1a5a h GLU 5 CO 0.02 -0.05 -0.17 -0.91 -0.73 0.00 0.00 179.01 177.17 1a5a h ASN 6 N -0.08 0.23 0.09 1.04 2.35 -1.32 -1.80 115.58 116.10 1a5a h ASN 6 Ca 0.14 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1a5a h ASN 6 Cb 0.29 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1a5a h ASN 6 CO -0.32 0.42 -0.05 0.25 -1.65 0.00 0.00 177.43 176.08 1a5a h LEU 7 N 0.23 -0.11 -1.93 1.61 5.85 0.18 -1.81 115.31 119.33 1a5a h LEU 7 Ca 0.04 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1a5a h LEU 7 Cb 0.44 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1a5a h LEU 7 CO 0.03 0.35 -0.12 -0.26 -0.34 0.00 0.00 178.44 178.10 1a5a h PHE 8 N -0.60 0.00 -0.01 1.25 0.04 -0.82 0.49 116.94 117.29 1a5a h PHE 8 Ca -0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1a5a h PHE 8 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1a5a h PHE 8 CO 0.07 0.12 -0.06 0.00 -0.60 0.00 0.00 178.31 177.84 1a5a h ALA 9 N 1.88 0.02 -0.38 2.45 0.00 -1.29 -2.18 119.26 119.78 1a5a h ALA 9 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1a5a h ALA 9 Cb 0.29 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1a5a h ALA 9 CO 0.02 -0.09 0.15 0.37 0.00 0.00 0.00 179.25 179.69 1a5a h GLN 10 N -0.57 0.53 -0.47 0.00 -0.00 -0.73 -1.50 115.11 112.37 1a5a h GLN 10 Ca -0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.50 1a5a h GLN 10 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.10 1a5a h GLN 10 CO 0.01 0.45 -0.01 -0.07 0.00 0.00 0.00 178.83 179.21 1a5a h LEU 11 N 0.53 0.83 -0.89 -2.39 3.38 -0.92 -1.77 115.31 114.09 1a5a h LEU 11 Ca 0.13 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1a5a h LEU 11 Cb 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1a5a h LEU 11 CO -0.01 0.94 -0.18 -1.13 0.09 0.00 0.00 178.44 178.16 1a5a h ASN 12 N 0.70 0.62 -0.21 -0.43 -0.00 -0.70 0.22 115.58 115.78 1a5a h ASN 12 Ca 0.13 -0.19 -0.10 0.00 -0.00 0.00 0.00 56.30 56.14 1a5a h ASN 12 Cb 0.53 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.66 1a5a h ASN 12 CO 0.03 0.80 -0.18 0.44 -0.00 0.00 0.00 177.43 178.52 1a5a h ASP 13 N 0.56 0.64 0.15 1.15 3.32 -1.13 -0.71 116.42 120.39 1a5a h ASP 13 Ca 0.09 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1a5a h ASP 13 Cb 0.62 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1a5a h ASP 13 CO 0.04 0.83 -0.05 0.54 -1.72 0.00 0.00 179.24 178.88 1a5a n ARG 14 N -4.14 1.04 -3.77 3.56 1.74 -0.68 -4.93 116.66 109.48 1a5a n ARG 14 Ca 0.00 -0.36 -0.29 0.00 -0.77 0.00 0.00 57.85 56.44 1a5a n ARG 14 Cb 0.39 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.36 1a5a n ARG 14 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1a5a n ARG 15 N -0.67 -5.04 -4.44 5.56 0.63 0.58 -4.74 116.66 108.54 1a5a n ARG 15 Ca 0.18 0.59 -0.22 0.00 -0.92 0.00 0.00 57.85 57.49 1a5a n ARG 15 Cb 0.25 -5.45 -0.10 0.00 0.45 0.00 0.00 32.46 27.60 1a5a n ARG 15 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1a5a s GLU 16 N -6.47 1.60 0.37 -0.14 -1.05 -0.11 -3.87 118.70 109.04 1a5a s GLU 16 Ca 0.60 -1.85 0.06 0.00 -0.15 0.00 0.00 54.97 53.63 1a5a s GLU 16 Cb -0.30 -1.03 -0.00 0.00 -0.44 0.00 0.00 34.13 32.36 1a5a s GLU 16 CO 0.74 -0.07 0.52 0.20 0.95 0.00 0.00 175.26 177.60 1a5a s GLY 17 N -3.47 1.70 0.04 -3.83 0.00 -0.12 -4.34 107.32 97.29 1a5a s GLY 17 Ca 0.33 -1.49 -0.14 0.00 0.00 0.00 0.00 44.72 43.42 1a5a s GLY 17 CO 0.14 -1.36 0.43 0.00 0.00 0.00 0.00 173.10 172.30 1a5a s ALA 18 N -2.27 3.69 -0.24 3.20 0.00 -0.35 -4.73 121.76 121.06 1a5a s ALA 18 Ca 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 1a5a s ALA 18 Cb -0.10 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1a5a s ALA 18 CO 0.32 0.49 -0.08 0.12 0.00 0.00 0.00 175.76 176.62 1a5a s PHE 19 N -1.19 3.03 -0.30 0.00 5.36 -1.26 -0.51 117.98 123.10 1a5a s PHE 19 Ca 0.27 -1.54 -0.01 0.00 -0.96 0.00 0.00 56.93 54.70 1a5a s PHE 19 Cb -0.16 -2.04 0.06 0.00 -0.34 0.00 0.00 43.02 40.54 1a5a s PHE 19 CO 0.15 -0.73 -0.00 0.08 -1.46 0.00 0.00 175.22 173.26 1a5a s VAL 20 N 1.33 2.84 0.36 3.12 1.01 0.12 -1.60 120.40 127.58 1a5a s VAL 20 Ca 0.01 -1.52 -0.09 0.00 0.00 0.00 0.00 61.98 60.37 1a5a s VAL 20 Cb -0.16 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.47 1a5a s VAL 20 CO -0.05 -0.16 0.70 -2.16 0.00 0.00 0.00 175.10 173.43 1a5a s PRO 21 N 1.20 3.76 0.05 2.72 0.04 -1.25 -0.97 135.00 140.54 1a5a s PRO 21 Ca -0.04 0.35 0.05 0.00 0.04 0.00 0.00 61.00 61.40 1a5a s PRO 21 Cb -0.20 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 1a5a s PRO 21 CO -0.02 0.06 -0.09 0.12 0.04 0.00 0.00 177.00 177.11 1a5a s PHE 22 N -2.25 2.80 -0.02 0.56 5.36 -0.31 -1.66 117.98 122.47 1a5a s PHE 22 Ca 0.49 -0.11 -0.25 0.00 -0.96 0.00 0.00 56.93 56.11 1a5a s PHE 22 Cb -0.10 -1.53 0.05 0.00 -0.34 0.00 0.00 43.02 41.10 1a5a s PHE 22 CO 0.30 0.38 0.55 0.54 -1.46 0.00 0.00 175.22 175.53 1a5a s VAL 23 N -1.08 0.02 -0.14 3.12 0.11 -0.79 -4.48 120.40 117.16 1a5a s VAL 23 Ca 0.19 -0.17 -0.19 0.00 -2.93 0.00 0.00 61.98 58.87 1a5a s VAL 23 Cb -0.11 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1a5a s VAL 23 CO 0.10 -0.09 0.54 -0.89 -3.33 0.00 0.00 175.10 171.43 1a5a s THR 24 N -1.51 5.12 -0.03 5.04 2.01 -1.26 -1.58 115.64 123.43 1a5a s THR 24 Ca -0.10 1.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 1a5a s THR 24 Cb -0.01 -3.88 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 1a5a s THR 24 CO 0.06 0.25 1.93 -0.76 -0.69 0.00 0.00 174.62 175.41 1a5a s LEU 25 N 1.08 4.26 0.00 4.42 1.02 0.33 -2.10 118.68 127.69 1a5a s LEU 25 Ca 0.28 2.44 0.00 0.00 0.02 0.00 0.00 54.13 56.87 1a5a s LEU 25 Cb -0.16 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.53 1a5a s LEU 25 CO 0.11 -1.17 0.00 0.61 0.02 0.00 0.00 176.35 175.93 1a5a n GLY 26 N 4.64 0.73 3.58 -3.19 0.00 -1.26 -4.64 105.19 105.06 1a5a n GLY 26 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1a5a n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a5a s ASP 27 N -2.57 5.67 -0.04 1.61 2.15 -0.89 0.52 116.67 123.11 1a5a s ASP 27 Ca 0.00 -0.00 0.10 0.00 0.43 0.00 0.00 52.55 53.08 1a5a s ASP 27 Cb 0.00 -2.01 0.35 0.00 -0.30 0.00 0.00 42.92 40.96 1a5a s ASP 27 CO 0.00 0.06 1.22 -0.81 -0.17 0.00 0.00 175.17 175.47 1a5a n PRO 28 N 4.29 2.19 0.00 4.34 -0.04 -1.26 -4.08 135.00 140.43 1a5a n PRO 28 Ca -0.16 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 1a5a n PRO 28 Cb 0.52 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1a5a n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5a n GLY 29 N 0.83 0.65 0.49 0.55 0.00 0.18 -4.77 105.19 103.12 1a5a n GLY 29 Ca 0.13 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 1a5a n GLY 29 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a5a h ILE 30 N 0.12 0.10 -0.91 -0.61 1.08 -1.91 0.11 117.51 115.49 1a5a h ILE 30 Ca 0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1a5a h ILE 30 Cb 0.00 0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 33.78 1a5a h ILE 30 CO 0.00 0.00 0.58 -0.33 -0.69 0.00 0.00 178.15 177.71 1a5a h GLU 31 N -1.17 1.02 -0.24 2.37 3.07 -1.97 -0.65 114.58 117.00 1a5a h GLU 31 Ca -0.11 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.64 1a5a h GLU 31 Cb 0.92 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1a5a h GLU 31 CO 0.15 0.67 -0.03 1.96 -1.40 0.00 0.00 179.01 180.37 1a5a h GLN 32 N 1.05 0.45 -0.09 2.33 1.08 -1.91 -2.84 115.11 115.18 1a5a h GLN 32 Ca 0.40 -0.16 0.03 0.00 -1.45 0.00 0.00 58.65 57.47 1a5a h GLN 32 Cb 0.17 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.53 1a5a h GLN 32 CO -0.17 0.65 -0.12 1.03 -0.95 0.00 0.00 178.83 179.26 1a5a h SER 33 N 0.20 -0.37 -0.70 1.46 0.87 -0.11 -0.20 113.55 114.70 1a5a h SER 33 Ca 0.07 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1a5a h SER 33 Cb 0.46 0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1a5a h SER 33 CO 0.02 -0.16 0.41 -0.07 -0.53 0.00 0.00 176.83 176.50 1a5a h LEU 34 N -0.16 0.65 -0.72 2.23 3.38 -1.16 -1.54 115.31 117.98 1a5a h LEU 34 Ca 0.07 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1a5a h LEU 34 Cb 0.26 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1a5a h LEU 34 CO -0.19 0.43 0.12 0.50 0.09 0.00 0.00 178.44 179.40 1a5a h LYS 35 N 0.78 1.10 -0.03 1.13 1.63 -1.21 -2.13 116.57 117.84 1a5a h LYS 35 Ca 0.30 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1a5a h LYS 35 Cb 0.12 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1a5a h LYS 35 CO -0.15 1.00 0.01 0.82 -3.45 0.00 0.00 179.45 177.68 1a5a h ILE 36 N 1.03 1.00 -0.96 2.00 2.04 -0.40 -1.63 117.51 120.59 1a5a h ILE 36 Ca 0.21 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.09 1a5a h ILE 36 Cb 0.42 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1a5a h ILE 36 CO 0.01 0.00 0.63 0.40 0.00 0.00 0.00 178.15 179.20 1a5a h ILE 37 N 0.03 1.19 -0.25 -0.67 2.04 -1.18 0.32 117.51 118.98 1a5a h ILE 37 Ca 0.01 -0.42 -0.12 0.00 1.00 0.00 0.00 64.86 65.32 1a5a h ILE 37 Cb 0.00 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 35.92 1a5a h ILE 37 CO -0.01 0.23 -0.36 0.44 0.00 0.00 0.00 178.15 178.45 1a5a h ASP 38 N 1.24 0.59 -0.38 1.72 3.32 -1.14 -1.32 116.42 120.44 1a5a h ASP 38 Ca 0.37 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1a5a h ASP 38 Cb -0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1a5a h ASP 38 CO -0.11 0.89 -0.12 0.74 -1.72 0.00 0.00 179.24 178.93 1a5a h THR 39 N 0.47 1.26 -0.32 0.35 2.02 -0.40 0.27 112.91 116.55 1a5a h THR 39 Ca 0.05 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 65.98 1a5a h THR 39 Cb 0.84 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1a5a h THR 39 CO 0.07 0.41 0.05 -0.07 0.37 0.00 0.00 175.52 176.35 1a5a h LEU 40 N 0.75 0.52 -0.55 2.58 3.38 -0.58 0.26 115.31 121.67 1a5a h LEU 40 Ca 0.12 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1a5a h LEU 40 Cb 0.62 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1a5a h LEU 40 CO 0.04 0.65 0.00 0.40 0.09 0.00 0.00 178.44 179.63 1a5a h ILE 41 N 0.37 1.26 -0.67 1.22 2.04 -1.09 -2.05 117.51 118.59 1a5a h ILE 41 Ca 0.10 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 1a5a h ILE 41 Cb 0.36 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1a5a h ILE 41 CO 0.01 0.40 0.16 -0.78 0.00 0.00 0.00 178.15 177.93 1a5a h ASP 42 N 0.85 1.00 0.47 1.72 3.58 -0.26 -2.66 116.42 121.13 1a5a h ASP 42 Ca 0.16 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 1a5a h ASP 42 Cb 0.54 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 1a5a h ASP 42 CO 0.03 0.97 -0.12 0.00 -2.88 0.00 0.00 179.24 177.23 1a5a h ALA 43 N 1.16 1.21 0.00 -0.78 0.00 -0.25 -3.46 119.26 117.13 1a5a h ALA 43 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1a5a h ALA 43 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1a5a h ALA 43 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1a5a n GLY 44 N -0.54 0.69 3.73 0.00 0.00 -1.00 -3.90 105.19 104.17 1a5a n GLY 44 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1a5a n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5a s ALA 45 N -1.40 3.81 -0.31 4.61 0.00 -0.80 -4.88 121.76 122.79 1a5a s ALA 45 Ca 0.00 1.52 0.21 0.00 0.00 0.00 0.00 51.96 53.69 1a5a s ALA 45 Cb 0.00 -3.65 0.16 0.00 0.00 0.00 0.00 23.12 19.63 1a5a s ALA 45 CO 0.00 -0.90 1.36 -0.44 0.00 0.00 0.00 175.76 175.78 1a5a h ASP 46 N 5.97 0.00 -5.14 0.00 3.32 -1.65 -3.44 116.42 115.47 1a5a h ASP 46 Ca -0.45 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 1a5a h ASP 46 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1a5a h ASP 46 CO 0.88 0.12 0.15 0.00 -1.72 0.00 0.00 179.24 178.66 1a5a s ALA 47 N -3.20 -0.32 -0.01 3.45 0.00 -1.25 -4.20 121.76 116.23 1a5a s ALA 47 Ca 0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 1a5a s ALA 47 Cb 0.07 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.99 1a5a s ALA 47 CO 0.73 -0.93 0.06 -0.51 0.00 0.00 0.00 175.76 175.11 1a5a s LEU 48 N -3.12 1.80 -0.26 0.00 1.02 -0.73 -3.94 118.68 113.45 1a5a s LEU 48 Ca 0.20 -0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.32 1a5a s LEU 48 Cb -0.04 0.30 0.06 0.00 0.02 0.00 0.00 46.19 46.53 1a5a s LEU 48 CO 0.14 -0.14 -0.10 -0.70 0.02 0.00 0.00 176.35 175.57 1a5a s GLU 49 N -0.53 2.27 -0.15 1.70 2.12 -0.66 -1.01 118.70 122.44 1a5a s GLU 49 Ca -0.06 -1.34 -0.06 0.00 0.36 0.00 0.00 54.97 53.88 1a5a s GLU 49 Cb -0.04 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1a5a s GLU 49 CO 0.00 -0.57 0.05 -0.51 -0.54 0.00 0.00 175.26 173.69 1a5a s LEU 50 N 1.12 3.78 -0.11 2.70 1.02 0.58 -1.89 118.68 125.88 1a5a s LEU 50 Ca -0.08 0.13 -0.04 0.00 0.02 0.00 0.00 54.13 54.15 1a5a s LEU 50 Cb -0.20 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 1a5a s LEU 50 CO -0.05 0.25 0.06 -0.83 0.02 0.00 0.00 176.35 175.80 1a5a s GLY 51 N -0.10 1.97 -0.25 -3.19 0.00 -0.61 0.12 107.32 105.26 1a5a s GLY 51 Ca 0.06 -0.74 -0.08 0.00 0.00 0.00 0.00 44.72 43.96 1a5a s GLY 51 CO 0.01 -0.44 0.09 0.14 0.00 0.00 0.00 173.10 172.90 1a5a s VAL 52 N -0.82 4.55 -0.10 1.40 1.01 -1.19 -0.51 120.40 124.73 1a5a s VAL 52 Ca 0.13 -0.09 -0.38 0.00 0.00 0.00 0.00 61.98 61.64 1a5a s VAL 52 Cb -0.12 -3.13 -0.15 0.00 0.00 0.00 0.00 36.38 32.98 1a5a s VAL 52 CO 0.03 0.34 1.61 -2.65 0.00 0.00 0.00 175.10 174.42 1a5a n PRO 53 N 4.78 1.35 -4.32 2.72 -0.02 -1.26 -4.88 135.00 133.38 1a5a n PRO 53 Ca -0.16 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.60 1a5a n PRO 53 Cb 0.52 -2.19 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 1a5a n PRO 53 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1a5a s PHE 54 N 2.34 1.49 0.00 6.00 5.36 -1.26 -4.78 117.98 127.14 1a5a s PHE 54 Ca 0.91 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1a5a s PHE 54 Cb -0.96 -0.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1a5a s PHE 54 CO 0.55 0.11 0.00 0.43 -1.46 0.00 0.00 175.22 174.85 1a5a n SER 55 N 1.43 0.00 -3.42 6.13 7.64 -1.26 -3.83 113.62 120.30 1a5a n SER 55 Ca -0.19 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.67 1a5a n SER 55 Cb 0.54 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 1a5a n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1a5a s ASP 56 N -4.85 -0.88 -0.86 6.43 2.15 -1.26 -5.07 116.67 112.34 1a5a s ASP 56 Ca 0.00 1.02 -0.22 0.00 0.43 0.00 0.00 52.55 53.77 1a5a s ASP 56 Cb 0.00 1.92 -0.19 0.00 -0.30 0.00 0.00 42.92 44.35 1a5a s ASP 56 CO 0.00 -0.25 2.13 -0.81 -0.17 0.00 0.00 175.17 176.07 1a5a n PRO 57 N 5.42 0.25 -0.35 4.34 -0.04 -1.25 -4.74 135.00 138.64 1a5a n PRO 57 Ca -0.06 -1.07 0.36 0.00 -0.04 0.00 0.00 63.50 62.69 1a5a n PRO 57 Cb 0.50 -3.31 0.59 0.00 -0.04 0.00 0.00 33.50 31.23 1a5a n PRO 57 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1a5a h LEU 58 N 20.33 0.00 -2.97 1.53 5.85 -1.97 0.24 115.31 138.31 1a5a h LEU 58 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1a5a h LEU 58 Cb 1.01 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.87 1a5a h LEU 58 CO 1.06 0.00 -0.72 0.00 -0.34 0.00 0.00 178.44 178.43 1a5a n ALA 59 N -2.48 3.01 -2.46 1.25 0.00 -1.26 -5.07 120.51 113.51 1a5a n ALA 59 Ca 0.29 -2.81 -0.27 0.00 0.00 0.00 0.00 53.44 50.66 1a5a n ALA 59 Cb 1.61 -0.53 -0.13 0.00 0.00 0.00 0.00 19.45 20.40 1a5a n ALA 59 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1a5a s ASN 60 N -2.63 2.85 1.11 0.00 0.02 0.84 -5.08 114.94 112.04 1a5a s ASN 60 Ca 0.35 -0.66 -0.18 0.00 -1.02 0.00 0.00 52.86 51.35 1a5a s ASN 60 Cb 0.37 -0.20 0.26 0.00 0.02 0.00 0.00 41.25 41.70 1a5a s ASN 60 CO -0.11 0.14 1.24 -0.83 0.02 0.00 0.00 177.10 177.57 1a5a s GLY 61 N -1.70 1.71 0.21 0.66 0.00 -1.26 -4.76 107.32 102.17 1a5a s GLY 61 Ca 0.10 -1.19 -0.09 0.00 0.00 0.00 0.00 44.72 43.53 1a5a s GLY 61 CO 0.04 -0.32 1.76 -0.56 0.00 0.00 0.00 173.10 174.03 1a5a h PRO 62 N -2.19 0.48 -0.41 2.90 0.13 -1.98 -1.48 132.00 129.45 1a5a h PRO 62 Ca -0.43 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 64.75 1a5a h PRO 62 Cb 1.25 -0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 1a5a h PRO 62 CO 0.31 0.32 -0.05 1.15 -0.23 0.00 0.00 178.00 179.50 1a5a h THR 63 N 0.49 0.64 -0.38 1.56 2.02 -1.99 0.28 112.91 115.53 1a5a h THR 63 Ca 0.30 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.36 1a5a h THR 63 Cb 0.32 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1a5a h THR 63 CO -0.26 0.01 -0.19 0.40 0.37 0.00 0.00 175.52 175.84 1a5a h ILE 64 N 0.05 1.28 -0.47 3.11 1.08 -1.84 -2.00 117.51 118.71 1a5a h ILE 64 Ca 0.20 -1.32 0.07 0.00 -0.39 0.00 0.00 64.86 63.41 1a5a h ILE 64 Cb 0.30 1.32 -0.06 0.00 -3.07 0.00 0.00 36.82 35.31 1a5a h ILE 64 CO -0.38 0.44 0.15 1.56 -0.69 0.00 0.00 178.15 179.22 1a5a h GLN 65 N 0.60 0.30 -0.10 2.37 4.20 -0.21 0.16 115.11 122.43 1a5a h GLN 65 Ca 0.08 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1a5a h GLN 65 Cb 0.74 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1a5a h GLN 65 CO 0.06 0.20 -0.20 -0.91 -0.67 0.00 0.00 178.83 177.31 1a5a h ASN 66 N 0.31 0.16 -0.33 1.46 2.35 -0.32 -0.98 115.58 118.22 1a5a h ASN 66 Ca 0.22 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.77 1a5a h ASN 66 Cb 0.25 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1a5a h ASN 66 CO -0.25 0.37 -0.46 0.00 -1.65 0.00 0.00 177.43 175.45 1a5a h ALA 67 N 1.65 0.50 -0.70 -0.83 0.00 -0.33 -2.62 119.26 116.93 1a5a h ALA 67 Ca 0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1a5a h ALA 67 Cb 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1a5a h ALA 67 CO 0.03 0.66 0.24 -0.91 0.00 0.00 0.00 179.25 179.27 1a5a h ASN 68 N 0.69 0.98 -0.59 0.00 2.35 0.01 -1.54 115.58 117.48 1a5a h ASN 68 Ca 0.04 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1a5a h ASN 68 Cb 1.06 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 1a5a h ASN 68 CO 0.11 0.90 0.37 -0.07 -1.65 0.00 0.00 177.43 177.09 1a5a h LEU 69 N 1.02 0.69 -0.96 1.61 4.07 -1.07 0.23 115.31 120.91 1a5a h LEU 69 Ca 0.23 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.09 1a5a h LEU 69 Cb 0.25 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 1a5a h LEU 69 CO -0.01 0.52 0.10 0.03 -1.08 0.00 0.00 178.44 178.00 1a5a h ARG 70 N 0.80 0.86 -0.44 1.13 3.08 -1.08 -0.51 114.38 118.21 1a5a h ARG 70 Ca 0.21 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1a5a h ARG 70 Cb -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1a5a h ARG 70 CO -0.04 0.80 -0.09 0.00 -1.07 0.00 0.00 179.97 179.56 1a5a h ALA 71 N 1.29 0.61 -0.32 0.04 0.00 -0.40 -2.14 119.26 118.34 1a5a h ALA 71 Ca 0.17 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1a5a h ALA 71 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a5a h ALA 71 CO 0.00 0.49 0.07 0.74 0.00 0.00 0.00 179.25 180.55 1a5a h PHE 72 N 0.68 0.54 -0.67 0.00 0.04 -0.19 -1.60 116.94 115.74 1a5a h PHE 72 Ca 0.11 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.83 1a5a h PHE 72 Cb 0.62 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 1a5a h PHE 72 CO 0.05 0.57 0.45 0.00 -0.60 0.00 0.00 178.31 178.78 1a5a h ALA 73 N 0.90 1.56 0.00 2.45 0.00 -1.05 0.82 119.26 123.94 1a5a h ALA 73 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a5a h ALA 73 Cb 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1a5a h ALA 73 CO 0.00 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1a5a n ALA 74 N -2.44 2.47 -3.28 0.00 0.00 -0.81 -4.89 120.51 111.55 1a5a n ALA 74 Ca 0.07 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 1a5a n ALA 74 Cb 0.07 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.25 1a5a n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5a n GLY 75 N 0.61 -0.24 3.65 0.00 0.00 0.28 -4.89 105.19 104.59 1a5a n GLY 75 Ca 0.16 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1a5a n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a5a s VAL 76 N -3.28 5.09 0.28 1.61 1.01 -0.63 -5.03 120.40 119.45 1a5a s VAL 76 Ca 0.24 0.93 0.09 0.00 0.00 0.00 0.00 61.98 63.24 1a5a s VAL 76 Cb -0.11 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1a5a s VAL 76 CO 0.60 0.14 0.01 0.42 0.00 0.00 0.00 175.10 176.27 1a5a s THR 77 N 1.90 3.34 0.53 3.92 -4.23 -1.26 -4.69 115.64 115.15 1a5a s THR 77 Ca 0.23 -1.90 0.22 0.00 -1.18 0.00 0.00 61.69 59.06 1a5a s THR 77 Cb -0.15 -2.85 0.34 0.00 1.34 0.00 0.00 72.50 71.17 1a5a s THR 77 CO 0.09 -0.34 2.07 1.55 -0.54 0.00 0.00 174.62 177.45 1a5a h PRO 78 N 1.84 0.00 -0.45 3.99 0.13 -1.98 0.52 132.00 136.05 1a5a h PRO 78 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1a5a h PRO 78 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1a5a h PRO 78 CO 0.61 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 178.21 1a5a h ALA 79 N 1.85 0.84 -0.42 -0.56 0.00 -2.00 -2.03 119.26 116.94 1a5a h ALA 79 Ca 0.14 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1a5a h ALA 79 Cb 0.56 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1a5a h ALA 79 CO -0.00 0.64 -0.08 1.96 0.00 0.00 0.00 179.25 181.77 1a5a h GLN 80 N 0.77 0.73 -0.42 0.00 4.20 -1.34 -2.56 115.11 116.49 1a5a h GLN 80 Ca 0.11 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1a5a h GLN 80 Cb 0.70 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1a5a h GLN 80 CO 0.05 0.80 0.26 0.00 -0.67 0.00 0.00 178.83 179.27 1a5a h PHE 82 N 0.56 0.00 -0.31 0.00 0.04 -1.12 0.18 116.94 116.30 1a5a h PHE 82 Ca 0.15 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.77 1a5a h PHE 82 Cb -0.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1a5a h PHE 82 CO -0.04 0.24 -0.39 0.93 -0.60 0.00 0.00 178.31 178.46 1a5a h GLU 83 N 0.00 0.81 -0.34 1.51 5.08 -1.03 -1.74 114.58 118.87 1a5a h GLU 83 Ca -0.00 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1a5a h GLU 83 Cb 0.46 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1a5a h GLU 83 CO 0.03 1.09 0.07 0.52 -1.00 0.00 0.00 179.01 179.72 1a5a h MET 84 N 0.58 0.56 -0.65 2.33 2.86 -0.30 -2.73 114.93 117.58 1a5a h MET 84 Ca 0.04 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1a5a h MET 84 Cb 0.98 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.53 1a5a h MET 84 CO 0.09 0.63 0.38 -0.07 1.06 0.00 0.00 176.91 179.00 1a5a h LEU 85 N 0.40 0.60 -0.01 1.22 3.38 -0.62 0.48 115.31 120.76 1a5a h LEU 85 Ca 0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1a5a h LEU 85 Cb 0.33 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1a5a h LEU 85 CO 0.00 0.40 -0.01 0.00 0.09 0.00 0.00 178.44 178.93 1a5a h ALA 86 N 1.31 0.01 -0.83 1.53 0.00 -1.25 -0.82 119.26 119.19 1a5a h ALA 86 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1a5a h ALA 86 Cb 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1a5a h ALA 86 CO -0.14 -0.50 0.45 1.25 0.00 0.00 0.00 179.25 180.31 1a5a h LEU 87 N -0.00 1.04 -0.38 0.00 5.85 -1.11 0.86 115.31 121.56 1a5a h LEU 87 Ca 0.01 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1a5a h LEU 87 Cb 0.01 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1a5a h LEU 87 CO -0.02 0.84 0.14 0.40 -0.34 0.00 0.00 178.44 179.47 1a5a h ILE 88 N 1.17 1.20 -0.75 4.05 2.04 -0.61 -2.34 117.51 122.26 1a5a h ILE 88 Ca 0.29 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1a5a h ILE 88 Cb 0.04 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1a5a h ILE 88 CO -0.05 0.22 0.32 -0.09 0.00 0.00 0.00 178.15 178.55 1a5a h ARG 89 N 0.47 1.11 -0.03 2.37 9.65 -0.62 -0.78 114.38 126.55 1a5a h ARG 89 Ca 0.13 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1a5a h ARG 89 Cb 0.21 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1a5a h ARG 89 CO -0.01 0.89 -0.02 0.93 2.80 0.00 0.00 179.97 184.56 1a5a h GLU 90 N 1.09 0.05 0.10 0.20 5.08 -0.46 -2.73 114.58 117.91 1a5a h GLU 90 Ca 0.25 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.29 1a5a h GLU 90 Cb 0.18 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1a5a h GLU 90 CO -0.02 0.07 -1.70 0.87 -1.00 0.00 0.00 179.01 177.23 1a5a h LYS 91 N 0.05 0.21 -3.92 2.33 1.57 -0.90 -3.44 116.57 112.47 1a5a h LYS 91 Ca 0.01 -0.37 -0.62 0.00 -1.87 0.00 0.00 60.65 57.81 1a5a h LYS 91 Cb 0.07 0.14 -0.40 0.00 0.08 0.00 0.00 32.23 32.12 1a5a h LYS 91 CO 0.00 1.03 -0.73 -1.01 -0.57 0.00 0.00 179.45 178.18 1a5a s HIS 92 N -2.60 2.67 0.32 -1.35 3.76 -0.35 -5.01 115.29 112.73 1a5a s HIS 92 Ca -0.12 -2.43 0.20 0.00 -0.15 0.00 0.00 55.06 52.56 1a5a s HIS 92 Cb 0.07 -2.30 0.99 0.00 1.11 0.00 0.00 32.58 32.44 1a5a s HIS 92 CO 0.83 -0.88 1.89 -1.00 -0.85 0.00 0.00 174.74 174.72 1a5a h PRO 93 N 7.61 0.00 0.00 8.40 0.13 -1.86 -3.37 132.00 142.92 1a5a h PRO 93 Ca -0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 1a5a h PRO 93 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1a5a h PRO 93 CO 0.51 0.27 -1.52 0.25 -0.23 0.00 0.00 178.00 177.28 1a5a n THR 94 N -3.76 0.15 -1.73 1.56 -2.24 -1.26 -5.00 114.28 102.00 1a5a n THR 94 Ca -0.01 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1a5a n THR 94 Cb 0.37 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1a5a n THR 94 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1a5a s ILE 95 N -2.61 2.40 0.32 2.28 -4.36 -1.26 -4.87 121.20 113.10 1a5a s ILE 95 Ca -0.04 0.07 -0.28 0.00 -0.26 0.00 0.00 60.65 60.13 1a5a s ILE 95 Cb 0.06 -3.04 -0.10 0.00 1.25 0.00 0.00 42.46 40.63 1a5a s ILE 95 CO 0.43 0.00 1.21 -2.84 0.24 0.00 0.00 174.94 173.97 1a5a s PRO 96 N 2.20 4.42 -0.18 0.37 0.02 -1.26 -4.94 135.00 135.64 1a5a s PRO 96 Ca 0.78 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.81 1a5a s PRO 96 Cb -0.47 -3.06 0.03 0.00 0.02 0.00 0.00 34.50 31.03 1a5a s PRO 96 CO 0.35 -0.05 -0.12 0.42 -0.33 0.00 0.00 177.00 177.26 1a5a s ILE 97 N -1.19 1.65 0.01 2.83 1.01 -1.26 -1.77 121.20 122.48 1a5a s ILE 97 Ca 0.48 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1a5a s ILE 97 Cb -0.35 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1a5a s ILE 97 CO 0.46 0.29 -0.03 -0.83 0.00 0.00 0.00 174.94 174.83 1a5a s GLY 98 N 1.42 1.82 -0.02 6.18 0.00 -0.18 -0.58 107.32 115.96 1a5a s GLY 98 Ca 0.01 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.75 1a5a s GLY 98 CO -0.09 -0.88 -0.03 1.08 0.00 0.00 0.00 173.10 173.18 1a5a s LEU 99 N -1.55 3.34 -0.31 0.66 1.43 0.20 -0.31 118.68 122.15 1a5a s LEU 99 Ca 0.19 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1a5a s LEU 99 Cb -0.11 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1a5a s LEU 99 CO 0.09 0.30 0.10 -0.22 0.23 0.00 0.00 176.35 176.85 1a5a s LEU 100 N -1.35 4.01 0.32 1.79 1.98 0.12 -0.96 118.68 124.58 1a5a s LEU 100 Ca 0.17 -0.78 0.06 0.00 -2.89 0.00 0.00 54.13 50.69 1a5a s LEU 100 Cb -0.11 -1.90 -0.06 0.00 0.66 0.00 0.00 46.19 44.77 1a5a s LEU 100 CO 0.07 -0.23 -0.02 -0.04 -1.89 0.00 0.00 176.35 174.25 1a5a s MET 101 N 1.50 1.66 0.04 1.98 -1.94 0.18 -3.20 119.30 119.52 1a5a s MET 101 Ca 0.02 -1.88 0.06 0.00 -1.71 0.00 0.00 55.69 52.18 1a5a s MET 101 Cb -0.18 -1.18 -0.03 0.00 2.01 0.00 0.00 34.83 35.45 1a5a s MET 101 CO 0.03 -0.03 -0.13 0.71 -0.01 0.00 0.00 175.02 175.59 1a5a s TYR 102 N -3.02 2.69 0.26 -0.03 2.02 -1.26 -0.02 117.35 117.98 1a5a s TYR 102 Ca 0.32 -0.17 -0.04 0.00 -0.37 0.00 0.00 57.07 56.82 1a5a s TYR 102 Cb 0.06 -1.50 0.52 0.00 -0.40 0.00 0.00 41.96 40.64 1a5a s TYR 102 CO 0.14 0.32 1.66 0.00 -1.57 0.00 0.00 175.55 176.10 1a5a h ALA 103 N 4.35 0.98 -0.40 3.71 0.00 -1.90 -2.88 119.26 123.13 1a5a h ALA 103 Ca -0.48 0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1a5a h ALA 103 Cb 1.16 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 1a5a h ALA 103 CO 0.50 -0.40 0.09 -0.97 0.00 0.00 0.00 179.25 178.47 1a5a h ASN 104 N 0.19 0.04 0.31 0.00 -1.24 -1.97 0.18 115.58 113.10 1a5a h ASN 104 Ca 0.45 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.50 1a5a h ASN 104 Cb 0.83 0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.95 1a5a h ASN 104 CO -0.61 0.06 -0.10 -0.07 -1.29 0.00 0.00 177.43 175.42 1a5a h LEU 105 N 0.23 0.00 0.19 0.34 3.38 -1.94 0.75 115.31 118.25 1a5a h LEU 105 Ca 0.19 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.81 1a5a h LEU 105 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1a5a h LEU 105 CO -0.24 0.10 -1.69 0.58 0.09 0.00 0.00 178.44 177.29 1a5a h VAL 106 N 0.00 1.02 0.00 1.22 2.07 -1.31 -3.35 116.25 115.90 1a5a h VAL 106 Ca -0.00 -2.58 -0.08 0.00 0.82 0.00 0.00 66.70 64.86 1a5a h VAL 106 Cb 0.29 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1a5a h VAL 106 CO 0.01 0.85 -0.48 0.15 0.02 0.00 0.00 177.57 178.12 1a5a h PHE 107 N 0.11 0.00 -0.42 1.57 3.57 -0.25 -3.21 116.94 118.31 1a5a h PHE 107 Ca -0.32 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.22 1a5a h PHE 107 Cb 2.10 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.79 1a5a h PHE 107 CO 0.10 0.37 -0.25 -1.71 -2.23 0.00 0.00 178.31 174.59 1a5a n ASN 108 N -3.15 -0.45 -1.42 0.41 5.15 0.26 -1.42 115.26 114.64 1a5a n ASN 108 Ca 0.01 1.22 -0.08 0.00 -0.60 0.00 0.00 54.58 55.13 1a5a n ASN 108 Cb 0.69 -0.33 0.20 0.00 -0.53 0.00 0.00 39.78 39.81 1a5a n ASN 108 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1a5a n ASN 109 N -3.94 2.87 0.00 1.20 5.03 -1.26 -5.00 115.26 114.16 1a5a n ASN 109 Ca 0.01 -3.70 0.00 0.00 0.87 0.00 0.00 54.58 51.76 1a5a n ASN 109 Cb 0.11 -0.68 0.00 0.00 -1.02 0.00 0.00 39.78 38.19 1a5a n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a5a n GLY 110 N -1.08 2.24 0.35 7.41 0.00 -0.51 -4.72 105.19 108.88 1a5a n GLY 110 Ca 0.39 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 1a5a n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a5a h ILE 111 N 0.00 0.38 -0.58 -0.61 2.04 -1.72 -1.26 117.51 115.77 1a5a h ILE 111 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1a5a h ILE 111 Cb 0.00 0.38 -0.08 0.00 -0.74 0.00 0.00 36.82 36.38 1a5a h ILE 111 CO 0.00 0.00 0.13 -0.78 0.00 0.00 0.00 178.15 177.50 1a5a h ASP 112 N -0.81 0.02 -0.61 1.72 3.58 -1.91 0.80 116.42 119.21 1a5a h ASP 112 Ca -0.08 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1a5a h ASP 112 Cb 0.64 0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.80 1a5a h ASP 112 CO 0.11 0.02 0.39 0.00 -2.88 0.00 0.00 179.24 176.88 1a5a h ALA 113 N 1.45 1.53 0.07 -0.78 0.00 -1.81 -1.21 119.26 118.52 1a5a h ALA 113 Ca 0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1a5a h ALA 113 Cb 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1a5a h ALA 113 CO -0.38 0.42 -0.03 0.35 0.00 0.00 0.00 179.25 179.61 1a5a h PHE 114 N 0.84 -0.09 0.00 0.00 3.57 0.38 -2.52 116.94 119.12 1a5a h PHE 114 Ca 0.22 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1a5a h PHE 114 Cb -0.07 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1a5a h PHE 114 CO 0.00 -0.03 -0.26 1.88 -2.23 0.00 0.00 178.31 177.67 1a5a h TYR 115 N -0.12 0.00 -0.55 0.41 0.05 -1.04 -2.01 116.97 113.72 1a5a h TYR 115 Ca -0.01 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 1a5a h TYR 115 Cb 0.10 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1a5a h TYR 115 CO -0.07 0.26 0.11 0.00 -1.05 0.00 0.00 178.16 177.41 1a5a h ALA 116 N 1.74 0.72 -0.42 3.88 0.00 -0.97 -0.37 119.26 123.85 1a5a h ALA 116 Ca -0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1a5a h ALA 116 Cb 0.52 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1a5a h ALA 116 CO 0.03 0.44 -0.12 0.00 0.00 0.00 0.00 179.25 179.60 1a5a h ARG 117 N 0.78 0.75 -0.42 0.00 2.47 -1.02 -0.22 114.38 116.73 1a5a h ARG 117 Ca 0.17 -0.25 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1a5a h ARG 117 Cb 0.37 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 1a5a h ARG 117 CO 0.01 0.85 0.18 0.00 0.56 0.00 0.00 179.97 181.56 1a5a h GLU 119 N 0.54 0.62 -0.20 0.00 4.81 -0.85 0.73 114.58 120.24 1a5a h GLU 119 Ca 0.14 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1a5a h GLU 119 Cb 0.17 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1a5a h GLU 119 CO -0.01 0.58 -0.08 0.37 -0.73 0.00 0.00 179.01 179.13 1a5a h GLN 120 N 0.53 -0.05 0.00 1.92 4.15 -0.77 -2.46 115.11 118.43 1a5a h GLN 120 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1a5a h GLN 120 Cb 0.19 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1a5a h GLN 120 CO -0.01 -0.03 0.00 -0.39 -1.93 0.00 0.00 178.83 176.46 1a5a h VAL 121 N -0.05 0.00 -0.00 2.39 -1.51 -1.04 -3.47 116.25 112.57 1a5a h VAL 121 Ca 0.11 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1a5a h VAL 121 Cb 0.21 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1a5a h VAL 121 CO -0.24 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.71 1a5a n GLY 122 N 0.73 1.73 3.83 5.19 0.00 -0.76 -4.34 105.19 111.57 1a5a n GLY 122 Ca 0.04 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1a5a n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a5a s VAL 123 N -2.00 4.69 -0.21 1.61 1.01 0.18 -4.78 120.40 120.89 1a5a s VAL 123 Ca 0.00 1.11 0.12 0.00 0.00 0.00 0.00 61.98 63.21 1a5a s VAL 123 Cb 0.00 -3.82 -0.22 0.00 0.00 0.00 0.00 36.38 32.34 1a5a s VAL 123 CO 0.00 0.24 0.00 0.47 0.00 0.00 0.00 175.10 175.82 1a5a n ASP 124 N 0.82 0.70 -3.83 3.32 8.00 0.25 -4.57 116.55 121.24 1a5a n ASP 124 Ca -0.04 -0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.35 1a5a n ASP 124 Cb 0.51 0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 42.02 1a5a n ASP 124 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a5a s SER 125 N -5.87 0.08 -0.03 -2.24 1.04 -0.94 0.11 113.70 105.85 1a5a s SER 125 Ca -0.18 -0.61 -0.00 0.00 0.48 0.00 0.00 55.95 55.63 1a5a s SER 125 Cb 0.07 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1a5a s SER 125 CO 0.76 -0.74 0.05 -0.69 0.98 0.00 0.00 173.24 173.60 1a5a s VAL 126 N -3.82 -0.06 -0.23 5.02 1.01 -0.50 -0.63 120.40 121.20 1a5a s VAL 126 Ca 0.04 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1a5a s VAL 126 Cb 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.33 1a5a s VAL 126 CO -0.11 0.08 -0.08 -0.22 0.00 0.00 0.00 175.10 174.77 1a5a s LEU 127 N 1.06 2.88 -0.59 3.92 0.20 -0.13 -1.59 118.68 124.43 1a5a s LEU 127 Ca -0.09 -0.69 -0.19 0.00 0.69 0.00 0.00 54.13 53.86 1a5a s LEU 127 Cb -0.12 -1.65 0.10 0.00 -0.43 0.00 0.00 46.19 44.09 1a5a s LEU 127 CO -0.03 -0.07 0.69 -0.69 -0.29 0.00 0.00 176.35 175.96 1a5a s VAL 128 N 1.36 4.85 0.25 1.68 1.01 -1.26 -0.65 120.40 127.64 1a5a s VAL 128 Ca 0.03 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 1a5a s VAL 128 Cb -0.15 -4.48 0.35 0.00 0.00 0.00 0.00 36.38 32.11 1a5a s VAL 128 CO -0.06 -1.10 1.57 0.00 0.00 0.00 0.00 175.10 175.50 1a5a h ALA 129 N 9.16 0.44 -0.54 5.51 0.00 -0.81 -1.89 119.26 131.14 1a5a h ALA 129 Ca -0.29 0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1a5a h ALA 129 Cb 1.09 0.81 -0.12 0.00 0.00 0.00 0.00 17.79 19.57 1a5a h ALA 129 CO 1.09 -0.48 0.26 -0.40 0.00 0.00 0.00 179.25 179.73 1a5a n ASP 130 N -5.55 3.74 -3.99 0.00 5.75 -1.26 -4.76 116.55 110.48 1a5a n ASP 130 Ca 0.13 -2.87 -0.31 0.00 -0.01 0.00 0.00 54.79 51.73 1a5a n ASP 130 Cb 0.45 -0.68 -0.15 0.00 -1.03 0.00 0.00 41.12 39.70 1a5a n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a5a s VAL 131 N -2.15 2.06 0.77 2.12 1.01 -0.71 -4.88 120.40 118.61 1a5a s VAL 131 Ca 0.37 -2.03 -0.11 0.00 0.00 0.00 0.00 61.98 60.20 1a5a s VAL 131 Cb 0.30 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 34.29 1a5a s VAL 131 CO 0.08 -0.46 1.10 -2.16 0.00 0.00 0.00 175.10 173.66 1a5a s PRO 132 N 1.05 2.33 0.59 2.72 0.04 -1.26 -4.82 135.00 135.65 1a5a s PRO 132 Ca 0.06 0.61 0.29 0.00 0.04 0.00 0.00 61.00 61.99 1a5a s PRO 132 Cb -0.19 -1.95 1.49 0.00 0.04 0.00 0.00 34.50 33.89 1a5a s PRO 132 CO -0.09 -1.44 1.91 -0.39 0.04 0.00 0.00 177.00 177.02 1a5a h VAL 133 N -0.96 0.37 0.00 -0.36 -1.51 -1.99 0.41 116.25 112.22 1a5a h VAL 133 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1a5a h VAL 133 Cb 1.26 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1a5a h VAL 133 CO 0.60 0.00 0.00 -0.33 -1.23 0.00 0.00 177.57 176.61 1a5a h GLU 134 N 0.00 0.00 -0.05 5.19 3.07 -2.03 -2.98 114.58 117.78 1a5a h GLU 134 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1a5a h GLU 134 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1a5a h GLU 134 CO -0.00 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 1a5a n GLU 135 N -2.97 1.83 0.23 2.33 -0.58 0.10 -4.78 120.64 116.79 1a5a n GLU 135 Ca 0.01 -1.30 0.12 0.00 -0.42 0.00 0.00 57.16 55.57 1a5a n GLU 135 Cb 0.31 -1.05 0.33 0.00 -0.57 0.00 0.00 31.44 30.45 1a5a n GLU 135 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a5a h SER 136 N 0.40 0.00 -0.39 1.62 4.64 -1.29 -3.41 113.55 115.13 1a5a h SER 136 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1a5a h SER 136 Cb 0.40 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.45 1a5a h SER 136 CO 0.00 0.08 -0.23 0.00 -0.87 0.00 0.00 176.83 175.82 1a5a n ALA 137 N -2.13 -0.25 -0.04 5.18 0.00 -1.26 -0.64 120.51 121.37 1a5a n ALA 137 Ca 0.02 0.33 0.01 0.00 0.00 0.00 0.00 53.44 53.80 1a5a n ALA 137 Cb 0.48 0.04 0.31 0.00 0.00 0.00 0.00 19.45 20.28 1a5a n ALA 137 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a5a h PRO 138 N 0.00 0.63 -0.17 0.00 0.13 -2.00 -2.42 132.00 128.17 1a5a h PRO 138 Ca 0.06 -0.09 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 1a5a h PRO 138 Cb 0.16 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.17 1a5a h PRO 138 CO -0.37 0.54 -0.18 0.74 -0.23 0.00 0.00 178.00 178.50 1a5a h PHE 139 N 0.62 0.50 -0.19 1.56 -1.00 -1.16 -2.45 116.94 114.83 1a5a h PHE 139 Ca 0.15 -0.16 -0.15 0.00 2.81 0.00 0.00 57.97 60.63 1a5a h PHE 139 Cb 0.16 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1a5a h PHE 139 CO 0.01 0.81 -0.49 0.07 -1.61 0.00 0.00 178.31 177.09 1a5a h ARG 140 N 0.06 0.51 -0.52 1.51 0.11 -1.23 -0.76 114.38 114.06 1a5a h ARG 140 Ca 0.02 -0.30 -0.09 0.00 0.10 0.00 0.00 59.98 59.72 1a5a h ARG 140 Cb 0.73 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.82 1a5a h ARG 140 CO 0.04 0.89 -0.02 1.96 0.10 0.00 0.00 179.97 182.94 1a5a h GLN 141 N 0.41 0.93 -0.48 0.08 4.20 -1.49 0.81 115.11 119.57 1a5a h GLN 141 Ca 0.02 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.36 1a5a h GLN 141 Cb 1.01 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1a5a h GLN 141 CO 0.09 0.96 0.05 0.00 -0.67 0.00 0.00 178.83 179.26 1a5a h ALA 142 N 0.94 0.64 -0.03 3.87 0.00 -1.34 -1.13 119.26 122.20 1a5a h ALA 142 Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a5a h ALA 142 Cb 0.56 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a5a h ALA 142 CO 0.03 0.40 0.02 0.00 0.00 0.00 0.00 179.25 179.70 1a5a h ALA 143 N 0.95 0.04 -0.30 0.00 0.00 -0.90 -2.43 119.26 116.62 1a5a h ALA 143 Ca 0.14 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1a5a h ALA 143 Cb 0.44 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1a5a h ALA 143 CO 0.02 -0.40 0.08 -0.07 0.00 0.00 0.00 179.25 178.87 1a5a h LEU 144 N -0.05 0.06 -1.86 0.00 4.07 -0.74 0.22 115.31 117.01 1a5a h LEU 144 Ca 0.01 0.04 0.09 0.00 0.08 0.00 0.00 57.88 58.10 1a5a h LEU 144 Cb 0.11 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1a5a h LEU 144 CO -0.00 0.07 0.29 0.03 -1.08 0.00 0.00 178.44 177.75 1a5a h ARG 145 N 0.20 0.16 -0.62 1.13 3.08 -1.09 -1.53 114.38 115.71 1a5a h ARG 145 Ca 0.14 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 1a5a h ARG 145 Cb 0.13 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.06 1a5a h ARG 145 CO -0.16 0.10 0.16 0.72 -1.07 0.00 0.00 179.97 179.72 1a5a n HIS 146 N -4.45 2.09 -3.88 3.04 8.25 -0.53 -4.93 115.22 114.82 1a5a n HIS 146 Ca 0.06 -1.10 -0.29 0.00 -0.26 0.00 0.00 57.72 56.13 1a5a n HIS 146 Cb 0.38 -0.59 0.03 0.00 1.12 0.00 0.00 29.99 30.93 1a5a n HIS 146 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a5a n ASN 147 N -0.13 -4.98 -4.47 0.41 3.02 -0.58 -4.57 115.26 103.96 1a5a n ASN 147 Ca 0.35 -0.75 -0.33 0.00 -0.03 0.00 0.00 54.58 53.83 1a5a n ASN 147 Cb 1.27 -4.02 -0.13 0.00 -0.61 0.00 0.00 39.78 36.28 1a5a n ASN 147 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a5a s ILE 148 N -3.31 3.04 -0.25 2.41 -1.09 0.67 -2.96 121.20 119.72 1a5a s ILE 148 Ca 0.65 -0.75 -0.24 0.00 -2.23 0.00 0.00 60.65 58.08 1a5a s ILE 148 Cb -0.32 -2.19 -0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1a5a s ILE 148 CO 0.82 0.58 0.83 0.00 -1.23 0.00 0.00 174.94 175.94 1a5a s ALA 149 N -0.74 3.63 -0.47 9.38 0.00 0.12 -3.60 121.76 130.08 1a5a s ALA 149 Ca 0.12 -0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.64 1a5a s ALA 149 Cb -0.11 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1a5a s ALA 149 CO 0.01 -0.97 1.02 -1.25 0.00 0.00 0.00 175.76 174.57 1a5a s PRO 150 N 2.87 3.62 0.04 0.00 0.04 -1.26 -1.41 135.00 138.90 1a5a s PRO 150 Ca 0.35 0.34 -0.21 0.00 0.04 0.00 0.00 61.00 61.52 1a5a s PRO 150 Cb -0.15 -3.92 -0.06 0.00 0.04 0.00 0.00 34.50 30.41 1a5a s PRO 150 CO 0.08 -1.30 0.63 0.42 0.04 0.00 0.00 177.00 176.87 1a5a s ILE 151 N 4.07 4.77 0.10 0.56 -1.09 -0.62 -2.33 121.20 126.65 1a5a s ILE 151 Ca 0.42 1.33 0.09 0.00 -2.23 0.00 0.00 60.65 60.27 1a5a s ILE 151 Cb -0.09 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1a5a s ILE 151 CO 0.29 0.47 -0.24 -0.36 -1.23 0.00 0.00 174.94 173.86 1a5a s PHE 152 N -0.57 2.10 -0.19 3.97 0.08 -1.26 -4.41 117.98 117.70 1a5a s PHE 152 Ca 0.32 -0.40 -0.19 0.00 0.12 0.00 0.00 56.93 56.78 1a5a s PHE 152 Cb -0.19 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.05 1a5a s PHE 152 CO 0.19 0.23 0.53 0.42 -0.10 0.00 0.00 175.22 176.50 1a5a s ILE 153 N -1.01 5.10 -0.56 0.64 1.01 -1.26 -1.57 121.20 123.56 1a5a s ILE 153 Ca 0.11 1.00 -0.12 0.00 0.00 0.00 0.00 60.65 61.63 1a5a s ILE 153 Cb -0.10 -3.86 0.14 0.00 0.01 0.00 0.00 42.46 38.65 1a5a s ILE 153 CO 0.04 0.19 0.47 0.00 0.00 0.00 0.00 174.94 175.64 1a5a s PRO 155 N 1.21 1.69 0.42 0.00 0.04 -1.26 -4.51 135.00 132.59 1a5a s PRO 155 Ca 0.07 0.76 0.19 0.00 0.04 0.00 0.00 61.00 62.06 1a5a s PRO 155 Cb -0.25 -1.86 0.95 0.00 0.04 0.00 0.00 34.50 33.38 1a5a s PRO 155 CO -0.01 -1.92 1.88 -1.00 0.04 0.00 0.00 177.00 176.00 1a5a h PRO 156 N -1.32 0.00 -1.08 0.56 0.13 -1.97 -2.37 132.00 125.96 1a5a h PRO 156 Ca -0.48 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.22 1a5a h PRO 156 Cb 1.27 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.17 1a5a h PRO 156 CO 0.56 0.28 0.55 0.27 -0.23 0.00 0.00 178.00 179.44 1a5a n ASN 157 N -3.79 4.69 -4.88 1.44 6.94 -1.26 -2.97 115.26 115.43 1a5a n ASN 157 Ca -0.01 -3.29 -0.30 0.00 -0.02 0.00 0.00 54.58 50.96 1a5a n ASN 157 Cb 0.37 -0.84 -0.02 0.00 -2.36 0.00 0.00 39.78 36.93 1a5a n ASN 157 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a5a s ALA 158 N -2.62 3.32 0.38 -2.53 0.00 -0.89 -5.10 121.76 114.32 1a5a s ALA 158 Ca 0.45 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.19 1a5a s ALA 158 Cb 0.37 -2.73 -0.00 0.00 0.00 0.00 0.00 23.12 20.75 1a5a s ALA 158 CO 0.05 -0.13 0.03 -0.40 0.00 0.00 0.00 175.76 175.31 1a5a n ASP 159 N -1.59 2.63 -0.03 0.00 5.75 -1.26 -4.93 116.55 117.11 1a5a n ASP 159 Ca 0.03 -2.73 -0.10 0.00 -0.01 0.00 0.00 54.79 51.97 1a5a n ASP 159 Cb 0.54 0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 41.00 1a5a n ASP 159 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1a5a h ASP 160 N 1.03 0.17 -0.61 -1.12 3.58 -1.98 -0.40 116.42 117.08 1a5a h ASP 160 Ca -0.31 -0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.18 1a5a h ASP 160 Cb 0.98 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.95 1a5a h ASP 160 CO 0.51 0.12 0.36 0.44 -2.88 0.00 0.00 179.24 177.79 1a5a h ASP 161 N 0.21 0.56 -0.65 2.28 3.32 -1.99 -0.45 116.42 119.70 1a5a h ASP 161 Ca 0.06 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1a5a h ASP 161 Cb -0.02 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1a5a h ASP 161 CO -0.02 0.38 0.36 0.25 -1.72 0.00 0.00 179.24 178.49 1a5a h LEU 162 N 0.69 0.81 -0.94 1.55 5.85 -1.90 -1.02 115.31 120.36 1a5a h LEU 162 Ca 0.26 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1a5a h LEU 162 Cb 0.08 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1a5a h LEU 162 CO -0.13 0.67 0.60 -0.07 -0.34 0.00 0.00 178.44 179.17 1a5a h LEU 163 N 0.89 0.95 -0.45 2.25 3.38 -0.04 -0.52 115.31 121.76 1a5a h LEU 163 Ca 0.23 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.07 1a5a h LEU 163 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1a5a h LEU 163 CO -0.04 0.61 -0.29 0.03 0.09 0.00 0.00 178.44 178.84 1a5a h ARG 164 N 1.09 0.98 -0.04 1.13 3.08 -0.33 -2.09 114.38 118.19 1a5a h ARG 164 Ca 0.40 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1a5a h ARG 164 Cb 0.16 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1a5a h ARG 164 CO -0.17 1.13 -0.01 1.96 -1.07 0.00 0.00 179.97 181.81 1a5a h GLN 165 N 0.82 0.07 -0.95 0.04 4.20 -0.62 -1.99 115.11 116.69 1a5a h GLN 165 Ca 0.09 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.84 1a5a h GLN 165 Cb 0.88 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.59 1a5a h GLN 165 CO 0.08 0.40 0.62 0.28 -0.67 0.00 0.00 178.83 179.53 1a5a h VAL 166 N -0.26 1.07 -0.20 -0.54 2.07 -1.15 0.20 116.25 117.44 1a5a h VAL 166 Ca 0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1a5a h VAL 166 Cb 0.37 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1a5a h VAL 166 CO 0.00 0.20 0.09 0.00 0.02 0.00 0.00 177.57 177.89 1a5a h ALA 167 N 1.49 0.26 0.00 1.67 0.00 -1.20 -0.00 119.26 121.48 1a5a h ALA 167 Ca 0.41 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 55.03 1a5a h ALA 167 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1a5a h ALA 167 CO -0.16 -0.17 -0.95 0.66 0.00 0.00 0.00 179.25 178.63 1a5a h SER 168 N 0.19 0.00 0.17 0.00 4.64 -0.95 -3.37 113.55 114.24 1a5a h SER 168 Ca 0.07 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.13 1a5a h SER 168 Cb 0.13 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1a5a h SER 168 CO -0.01 0.95 -1.21 1.88 -0.87 0.00 0.00 176.83 177.58 1a5a h TYR 169 N 0.00 0.67 -4.21 4.77 0.05 -0.59 -3.48 116.97 114.19 1a5a h TYR 169 Ca -0.01 -0.49 -0.50 0.00 0.05 0.00 0.00 58.73 57.78 1a5a h TYR 169 Cb 1.70 -0.03 0.08 0.00 1.01 0.00 0.00 36.73 39.49 1a5a h TYR 169 CO 0.00 1.47 0.38 0.20 -1.05 0.00 0.00 178.16 179.15 1a5a s GLY 170 N -4.64 2.09 0.06 3.88 0.00 -0.02 -4.78 107.32 103.90 1a5a s GLY 170 Ca -0.14 0.41 -0.04 0.00 0.00 0.00 0.00 44.72 44.95 1a5a s GLY 170 CO 0.85 0.74 0.07 0.50 0.00 0.00 0.00 173.10 175.26 1a5a s ARG 171 N -4.16 0.67 0.00 2.90 1.81 -0.99 -4.60 118.95 114.58 1a5a s ARG 171 Ca 0.64 -1.00 0.00 0.00 -1.72 0.00 0.00 55.73 53.65 1a5a s ARG 171 Cb -0.17 0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.58 1a5a s ARG 171 CO 0.40 -0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.26 1a5a n GLY 172 N 0.26 1.95 3.54 -3.53 0.00 -1.26 -4.29 105.19 101.87 1a5a n GLY 172 Ca -0.16 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1a5a n GLY 172 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a5a s TYR 173 N 0.00 -0.28 -0.24 1.61 -0.85 -1.26 -4.37 117.35 111.96 1a5a s TYR 173 Ca 0.00 0.21 -0.09 0.00 -0.52 0.00 0.00 57.07 56.67 1a5a s TYR 173 Cb 0.00 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 1a5a s TYR 173 CO 0.00 -0.42 0.13 0.99 -1.52 0.00 0.00 175.55 174.73 1a5a s THR 174 N -2.69 5.06 -0.58 -3.49 2.01 -0.02 -4.40 115.64 111.53 1a5a s THR 174 Ca 0.06 0.08 -0.27 0.00 0.31 0.00 0.00 61.69 61.86 1a5a s THR 174 Cb -0.01 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.17 1a5a s THR 174 CO -0.07 0.34 1.13 -0.47 -0.69 0.00 0.00 174.62 174.86 1a5a s TYR 175 N 1.20 2.64 0.48 4.92 6.14 -0.61 -0.98 117.35 131.15 1a5a s TYR 175 Ca 0.06 0.27 -0.04 0.00 0.64 0.00 0.00 57.07 58.00 1a5a s TYR 175 Cb -0.14 -4.40 -0.03 0.00 0.42 0.00 0.00 41.96 37.81 1a5a s TYR 175 CO 0.05 -1.55 0.77 -1.17 0.64 0.00 0.00 175.55 174.29 1a5a s LEU 176 N 4.71 3.61 0.00 6.97 2.96 -0.47 0.16 118.68 136.62 1a5a s LEU 176 Ca 0.39 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1a5a s LEU 176 Cb -0.09 -3.72 0.00 0.00 0.50 0.00 0.00 46.19 42.89 1a5a s LEU 176 CO 0.23 -0.63 0.00 0.00 -1.32 0.00 0.00 176.35 174.63 1a5a n ALA 190 N -2.25 0.00 -2.64 5.97 0.00 -1.24 -0.10 120.51 120.26 1a5a n ALA 190 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 1a5a n ALA 190 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 1a5a n ALA 190 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5a s LEU 191 N 0.00 4.24 0.23 0.00 1.02 -1.16 -5.06 118.68 117.95 1a5a s LEU 191 Ca 0.00 0.63 -0.30 0.00 0.02 0.00 0.00 54.13 54.47 1a5a s LEU 191 Cb 0.00 -3.37 -0.10 0.00 0.02 0.00 0.00 46.19 42.74 1a5a s LEU 191 CO 0.00 0.02 1.47 -2.84 0.02 0.00 0.00 176.35 175.01 1a5a s PRO 192 N -2.77 4.25 0.23 1.29 0.02 -1.26 -4.93 135.00 131.84 1a5a s PRO 192 Ca 0.42 2.31 -0.06 0.00 0.02 0.00 0.00 61.00 63.69 1a5a s PRO 192 Cb -0.12 -3.12 0.38 0.00 0.02 0.00 0.00 34.50 31.66 1a5a s PRO 192 CO 0.25 -0.46 1.75 1.25 -0.33 0.00 0.00 177.00 179.45 1a5a h LEU 193 N 5.45 0.35 -1.86 -5.54 5.85 -2.00 0.22 115.31 117.78 1a5a h LEU 193 Ca -0.45 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1a5a h LEU 193 Cb 1.21 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1a5a h LEU 193 CO 0.81 0.17 -0.13 1.12 -0.34 0.00 0.00 178.44 180.07 1a5a h HIS 194 N 0.50 0.00 0.19 1.25 2.07 -1.91 -1.62 115.15 115.63 1a5a h HIS 194 Ca 0.37 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.88 1a5a h HIS 194 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 1a5a h HIS 194 CO -0.14 0.13 -0.09 1.25 -3.07 0.00 0.00 177.93 176.01 1a5a h HIS 195 N 0.00 -0.24 0.92 6.12 -0.00 -0.95 -1.52 115.15 119.48 1a5a h HIS 195 Ca -0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 1a5a h HIS 195 Cb 0.28 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 1a5a h HIS 195 CO 0.00 0.09 -0.49 -0.07 -0.00 0.00 0.00 177.93 177.46 1a5a h LEU 196 N -0.60 -1.18 -0.45 0.26 -0.00 -0.99 -0.45 115.31 111.90 1a5a h LEU 196 Ca -0.03 0.05 0.09 0.00 -0.00 0.00 0.00 57.88 58.00 1a5a h LEU 196 Cb 0.44 0.32 -0.09 0.00 -0.00 0.00 0.00 40.66 41.33 1a5a h LEU 196 CO 0.04 -0.79 -0.17 0.40 -0.00 0.00 0.00 178.44 177.93 1a5a h ILE 197 N -1.29 0.45 -0.57 1.22 2.04 -1.39 0.25 117.51 118.22 1a5a h ILE 197 Ca -0.13 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1a5a h ILE 197 Cb 1.01 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1a5a h ILE 197 CO 0.18 0.00 -0.01 -0.33 0.00 0.00 0.00 178.15 177.99 1a5a h GLU 198 N -0.07 1.02 -0.18 2.37 3.07 -1.26 -1.27 114.58 118.26 1a5a h GLU 198 Ca 0.22 -0.33 -0.10 0.00 -0.50 0.00 0.00 59.36 58.65 1a5a h GLU 198 Cb 0.40 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1a5a h GLU 198 CO -0.50 1.02 -0.33 0.87 -1.40 0.00 0.00 179.01 178.67 1a5a h LYS 199 N 0.91 0.37 -0.44 2.33 1.79 -0.37 -0.68 116.57 120.47 1a5a h LYS 199 Ca 0.16 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 1a5a h LYS 199 Cb 0.56 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1a5a h LYS 199 CO 0.03 0.66 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.89 1a5a h LEU 200 N 0.32 0.86 -0.66 2.94 3.38 -0.16 -1.22 115.31 120.77 1a5a h LEU 200 Ca 0.04 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 1a5a h LEU 200 Cb 0.74 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1a5a h LEU 200 CO 0.06 1.02 -0.19 0.11 0.09 0.00 0.00 178.44 179.52 1a5a h LYS 201 N 0.69 0.84 -0.66 1.13 1.57 -1.06 0.94 116.57 120.02 1a5a h LYS 201 Ca 0.11 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1a5a h LYS 201 Cb 0.64 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1a5a h LYS 201 CO 0.04 0.97 0.39 1.49 -0.57 0.00 0.00 179.45 181.77 1a5a h GLU 202 N 0.74 0.91 -0.02 3.15 4.81 -0.91 -1.78 114.58 121.48 1a5a h GLU 202 Ca 0.11 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1a5a h GLU 202 Cb 0.72 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1a5a h GLU 202 CO 0.06 0.66 0.00 0.66 -0.73 0.00 0.00 179.01 179.65 1a5a n TYR 203 N -4.56 0.03 -2.63 0.92 4.01 -0.48 -4.89 117.16 109.57 1a5a n TYR 203 Ca 0.05 -0.02 -0.18 0.00 -0.16 0.00 0.00 57.90 57.60 1a5a n TYR 203 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.11 1a5a n TYR 203 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1a5a n HIS 204 N -0.61 -1.24 -1.05 -0.72 8.25 -0.67 -4.71 115.22 114.47 1a5a n HIS 204 Ca 0.13 0.24 -0.31 0.00 -0.26 0.00 0.00 57.72 57.51 1a5a n HIS 204 Cb 0.09 -3.66 0.12 0.00 1.12 0.00 0.00 29.99 27.66 1a5a n HIS 204 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5a s ALA 205 N -2.96 1.91 0.61 -1.41 0.00 0.26 -4.93 121.76 115.24 1a5a s ALA 205 Ca 0.14 0.47 -0.19 0.00 0.00 0.00 0.00 51.96 52.38 1a5a s ALA 205 Cb -0.06 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1a5a s ALA 205 CO 0.17 -2.19 1.23 0.00 0.00 0.00 0.00 175.76 174.97 1a5a s ALA 206 N -2.70 2.50 0.04 0.00 0.00 -1.26 -4.83 121.76 115.50 1a5a s ALA 206 Ca 0.65 1.06 -0.38 0.00 0.00 0.00 0.00 51.96 53.29 1a5a s ALA 206 Cb -0.21 -3.48 -0.18 0.00 0.00 0.00 0.00 23.12 19.26 1a5a s ALA 206 CO 0.55 -1.29 1.26 -2.30 0.00 0.00 0.00 175.76 173.98 1a5a n PRO 207 N -1.69 0.73 -2.85 0.00 -0.02 -1.26 -3.55 135.00 126.37 1a5a n PRO 207 Ca 0.14 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1a5a n PRO 207 Cb 0.49 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 32.07 1a5a n PRO 207 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a5a s ALA 208 N 0.40 3.30 -0.19 3.55 0.00 -1.26 -0.84 121.76 126.71 1a5a s ALA 208 Ca 0.87 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 1a5a s ALA 208 Cb -1.07 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 18.91 1a5a s ALA 208 CO 0.51 0.01 -0.16 -0.51 0.00 0.00 0.00 175.76 175.61 1a5a s LEU 209 N 0.02 2.37 -0.28 0.00 1.43 -0.15 -0.46 118.68 121.61 1a5a s LEU 209 Ca 0.43 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 1a5a s LEU 209 Cb -0.22 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1a5a s LEU 209 CO 0.26 -0.01 1.48 -1.58 0.23 0.00 0.00 176.35 176.73 1a5a s GLN 210 N 1.33 3.79 0.00 1.70 -0.44 -0.17 -1.37 119.66 124.50 1a5a s GLN 210 Ca 0.05 1.40 0.20 0.00 -2.50 0.00 0.00 55.36 54.50 1a5a s GLN 210 Cb -0.14 -3.98 -0.16 0.00 -1.64 0.00 0.00 33.01 27.09 1a5a s GLN 210 CO -0.10 -1.29 0.88 0.41 0.50 0.00 0.00 175.29 175.69 1a5a n GLY 211 N 4.61 -0.61 3.69 2.59 0.00 0.86 -0.06 105.19 116.27 1a5a n GLY 211 Ca 0.17 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1a5a n GLY 211 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a5a s PHE 212 N -2.70 3.39 -1.81 1.61 5.36 -1.23 -4.29 117.98 118.32 1a5a s PHE 212 Ca 0.10 1.45 -0.21 0.00 -0.96 0.00 0.00 56.93 57.31 1a5a s PHE 212 Cb 0.15 -3.28 0.20 0.00 -0.34 0.00 0.00 43.02 39.76 1a5a s PHE 212 CO 0.73 -0.63 0.66 0.41 -1.46 0.00 0.00 175.22 174.93 1a5a n GLY 213 N 3.19 -0.41 3.50 13.12 0.00 -1.26 -4.89 105.19 118.44 1a5a n GLY 213 Ca 0.10 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1a5a n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5a s ILE 214 N -3.29 4.26 0.00 -0.61 -1.09 -1.26 -4.68 121.20 114.53 1a5a s ILE 214 Ca 0.78 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 1a5a s ILE 214 Cb -0.44 -4.88 0.00 0.00 -1.58 0.00 0.00 42.46 35.55 1a5a s ILE 214 CO 0.99 -1.70 0.30 -1.54 -1.23 0.00 0.00 174.94 171.76 1a5a n SER 215 N 7.89 0.60 -3.86 3.58 3.41 -1.26 -4.43 113.62 119.54 1a5a n SER 215 Ca 0.21 -0.90 -0.11 0.00 -0.26 0.00 0.00 58.87 57.81 1a5a n SER 215 Cb 0.49 0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 1a5a n SER 215 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a5a s SER 216 N -0.11 0.03 0.27 4.04 1.04 -1.26 -5.05 113.70 112.65 1a5a s SER 216 Ca 0.00 -0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 1a5a s SER 216 Cb 0.00 0.23 0.62 0.00 0.10 0.00 0.00 66.02 66.97 1a5a s SER 216 CO 0.00 -0.43 1.67 -0.65 0.98 0.00 0.00 173.24 174.81 1a5a h PRO 217 N 4.00 0.26 -0.25 4.02 0.11 -1.91 0.24 132.00 138.47 1a5a h PRO 217 Ca -0.31 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.84 1a5a h PRO 217 Cb 1.19 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1a5a h PRO 217 CO 0.43 0.17 0.18 1.49 -0.21 0.00 0.00 178.00 180.06 1a5a h GLU 218 N 0.27 0.08 -0.32 1.05 4.81 -1.95 -1.20 114.58 117.31 1a5a h GLU 218 Ca 0.50 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.67 1a5a h GLU 218 Cb 0.95 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1a5a h GLU 218 CO -0.58 0.05 -0.03 1.96 -0.73 0.00 0.00 179.01 179.68 1a5a h GLN 219 N 0.08 0.59 0.13 1.92 1.08 -0.91 -2.07 115.11 115.94 1a5a h GLN 219 Ca 0.12 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1a5a h GLN 219 Cb 0.36 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1a5a h GLN 219 CO -0.01 0.75 -0.06 0.28 -0.95 0.00 0.00 178.83 178.83 1a5a h VAL 220 N 0.38 0.93 -0.71 -0.54 2.07 -1.10 -1.11 116.25 116.17 1a5a h VAL 220 Ca 0.09 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1a5a h VAL 220 Cb 0.50 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1a5a h VAL 220 CO 0.02 0.05 0.45 0.77 0.02 0.00 0.00 177.57 178.89 1a5a h SER 221 N -0.28 0.76 -0.21 0.57 4.64 -1.32 -1.59 113.55 116.12 1a5a h SER 221 Ca -0.02 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1a5a h SER 221 Cb 0.22 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1a5a h SER 221 CO 0.03 0.53 0.13 0.00 -0.87 0.00 0.00 176.83 176.65 1a5a h ALA 222 N 1.29 0.26 0.19 5.18 0.00 -1.23 0.21 119.26 125.16 1a5a h ALA 222 Ca 0.28 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1a5a h ALA 222 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1a5a h ALA 222 CO -0.09 -0.27 -0.27 0.00 0.00 0.00 0.00 179.25 178.62 1a5a h ALA 223 N 1.08 -0.50 -0.76 0.00 0.00 -0.79 0.15 119.26 118.44 1a5a h ALA 223 Ca 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1a5a h ALA 223 Cb -0.02 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1a5a h ALA 223 CO -0.02 -0.82 0.50 0.28 0.00 0.00 0.00 179.25 179.18 1a5a h VAL 224 N -0.52 1.12 -0.66 0.00 2.07 -1.11 -1.12 116.25 116.02 1a5a h VAL 224 Ca 0.01 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1a5a h VAL 224 Cb 0.51 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1a5a h VAL 224 CO -0.11 0.17 0.27 -0.09 0.02 0.00 0.00 177.57 177.83 1a5a h ARG 225 N 0.93 0.97 0.00 1.57 2.43 0.38 0.26 114.38 120.93 1a5a h ARG 225 Ca 0.30 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1a5a h ARG 225 Cb 0.05 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1a5a h ARG 225 CO -0.09 0.79 0.00 0.00 -1.51 0.00 0.00 179.97 179.16 1a5a n ALA 226 N -2.44 1.63 0.00 2.80 0.00 0.44 -4.83 120.51 118.10 1a5a n ALA 226 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1a5a n ALA 226 Cb 0.17 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1a5a n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5a n GLY 227 N -0.08 0.89 3.75 0.00 0.00 0.08 -4.82 105.19 105.01 1a5a n GLY 227 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1a5a n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5a s ALA 228 N -2.00 3.39 -1.38 4.61 0.00 -0.78 -4.90 121.76 120.69 1a5a s ALA 228 Ca 0.00 0.83 0.10 0.00 0.00 0.00 0.00 51.96 52.89 1a5a s ALA 228 Cb 0.00 -3.31 0.48 0.00 0.00 0.00 0.00 23.12 20.29 1a5a s ALA 228 CO 0.00 -0.10 1.21 0.00 0.00 0.00 0.00 175.76 176.86 1a5a n ALA 229 N 1.46 1.60 0.00 0.00 0.00 0.39 -3.95 120.51 120.01 1a5a n ALA 229 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1a5a n ALA 229 Cb 0.45 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1a5a n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5a n GLY 230 N -0.47 -1.07 2.94 0.00 0.00 -1.22 -1.21 105.19 104.15 1a5a n GLY 230 Ca 0.04 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 1a5a n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5a s ALA 231 N -1.00 0.02 -0.22 4.61 0.00 0.33 -1.00 121.76 124.50 1a5a s ALA 231 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 1a5a s ALA 231 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1a5a s ALA 231 CO 0.00 -0.08 -0.01 0.42 0.00 0.00 0.00 175.76 176.09 1a5a s ILE 232 N -0.70 3.72 -0.45 0.00 1.01 0.92 -0.71 121.20 124.99 1a5a s ILE 232 Ca -0.08 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1a5a s ILE 232 Cb -0.05 -2.70 0.07 0.00 0.01 0.00 0.00 42.46 39.79 1a5a s ILE 232 CO -0.00 0.40 0.34 -0.55 0.00 0.00 0.00 174.94 175.13 1a5a s SER 233 N 1.43 5.97 0.00 3.58 0.15 -0.14 -4.36 113.70 120.32 1a5a s SER 233 Ca 0.05 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1a5a s SER 233 Cb -0.15 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1a5a s SER 233 CO -0.00 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1a5a n GLY 234 N 5.10 1.88 0.33 9.45 0.00 -1.26 -1.16 105.19 119.54 1a5a n GLY 234 Ca -0.12 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.07 1a5a n GLY 234 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a5a h SER 235 N 0.00 0.00 -0.62 1.61 4.64 -1.92 -2.94 113.55 114.32 1a5a h SER 235 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1a5a h SER 235 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 1a5a h SER 235 CO 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.88 1a5a h ALA 236 N 1.79 0.51 -0.40 5.18 0.00 -1.85 0.87 119.26 125.35 1a5a h ALA 236 Ca 0.09 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1a5a h ALA 236 Cb 0.49 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1a5a h ALA 236 CO -0.00 -0.42 0.14 0.82 0.00 0.00 0.00 179.25 179.79 1a5a h ILE 237 N 0.05 1.21 -0.02 0.00 5.03 -1.76 -2.47 117.51 119.55 1a5a h ILE 237 Ca 0.31 -0.67 -0.01 0.00 -0.12 0.00 0.00 64.86 64.36 1a5a h ILE 237 Cb 0.49 0.89 -0.00 0.00 -3.03 0.00 0.00 36.82 35.17 1a5a h ILE 237 CO -0.58 0.24 -0.05 0.58 -0.68 0.00 0.00 178.15 177.65 1a5a h VAL 238 N 0.51 1.05 0.91 1.67 2.07 -1.27 -2.78 116.25 118.40 1a5a h VAL 238 Ca 0.13 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1a5a h VAL 238 Cb 0.23 1.10 0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1a5a h VAL 238 CO -0.01 0.07 -0.45 0.11 0.02 0.00 0.00 177.57 177.32 1a5a h LYS 239 N 0.03 -1.19 -1.01 1.57 1.57 -0.41 0.45 116.57 117.58 1a5a h LYS 239 Ca 0.01 0.08 0.24 0.00 -1.87 0.00 0.00 60.65 59.11 1a5a h LYS 239 Cb 0.12 0.27 -0.11 0.00 0.08 0.00 0.00 32.23 32.59 1a5a h LYS 239 CO 0.01 -0.79 0.62 0.82 -0.57 0.00 0.00 179.45 179.53 1a5a h ILE 240 N -1.24 0.58 0.13 1.86 2.04 -1.42 0.64 117.51 120.10 1a5a h ILE 240 Ca -0.12 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1a5a h ILE 240 Cb 0.95 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1a5a h ILE 240 CO 0.19 0.10 -0.06 0.40 0.00 0.00 0.00 178.15 178.79 1a5a h ILE 241 N 0.57 1.00 -0.97 -0.67 2.04 -1.25 -1.15 117.51 117.06 1a5a h ILE 241 Ca 0.61 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1a5a h ILE 241 Cb 1.22 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 38.56 1a5a h ILE 241 CO -0.39 0.12 0.64 -0.33 0.00 0.00 0.00 178.15 178.19 1a5a h GLU 242 N -0.41 1.20 0.00 2.37 5.08 0.13 -1.46 114.58 121.50 1a5a h GLU 242 Ca -0.02 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1a5a h GLU 242 Cb 0.33 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1a5a h GLU 242 CO 0.03 0.80 -0.00 0.87 -1.00 0.00 0.00 179.01 179.70 1a5a h LYS 243 N 1.24 -0.00 -0.27 2.33 1.57 -1.10 -3.24 116.57 117.10 1a5a h LYS 243 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1a5a h LYS 243 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1a5a h LYS 243 CO -0.12 0.58 0.00 0.09 -0.57 0.00 0.00 179.45 179.43 1a5a n ASN 244 N -4.81 0.95 -0.43 0.86 4.13 -0.44 -4.37 115.26 111.16 1a5a n ASN 244 Ca -0.09 -2.03 0.36 0.00 1.68 0.00 0.00 54.58 54.51 1a5a n ASN 244 Cb 0.29 -0.17 0.68 0.00 -1.54 0.00 0.00 39.78 39.05 1a5a n ASN 244 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1a5a h LEU 245 N 0.84 0.17 -0.58 3.41 5.85 -1.29 0.32 115.31 124.02 1a5a h LEU 245 Ca 0.00 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1a5a h LEU 245 Cb 0.29 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1a5a h LEU 245 CO 0.02 -0.04 -0.57 0.00 -0.34 0.00 0.00 178.44 177.51 1a5a h ALA 246 N 1.44 0.76 -3.32 1.25 0.00 -1.88 -3.38 119.26 114.14 1a5a h ALA 246 Ca 0.71 -0.52 -0.63 0.00 0.00 0.00 0.00 54.91 54.47 1a5a h ALA 246 Cb 2.46 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 19.76 1a5a h ALA 246 CO -0.19 0.70 -0.67 0.45 0.00 0.00 0.00 179.25 179.54 1a5a s SER 247 N -6.91 4.20 0.46 0.00 0.15 0.10 -4.97 113.70 106.72 1a5a s SER 247 Ca -0.06 -2.81 0.16 0.00 0.70 0.00 0.00 55.95 53.94 1a5a s SER 247 Cb 0.12 -1.48 1.11 0.00 -1.71 0.00 0.00 66.02 64.06 1a5a s SER 247 CO 0.82 -0.26 2.00 1.55 1.20 0.00 0.00 173.24 178.55 1a5a h PRO 248 N 6.69 0.29 -0.54 5.44 0.13 -1.76 -1.07 132.00 141.18 1a5a h PRO 248 Ca -0.06 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 1a5a h PRO 248 Cb 0.91 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1a5a h PRO 248 CO 0.62 0.19 0.03 -0.22 -0.23 0.00 0.00 178.00 178.40 1a5a h LYS 249 N 0.30 0.93 0.00 0.86 1.63 -1.93 -2.49 116.57 115.87 1a5a h LYS 249 Ca 0.25 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1a5a h LYS 249 Cb 0.58 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1a5a h LYS 249 CO -0.06 0.93 0.00 1.96 -3.45 0.00 0.00 179.45 178.83 1a5a h GLN 250 N 0.81 0.00 -0.09 1.90 1.08 -1.59 -2.86 115.11 114.36 1a5a h GLN 250 Ca 0.16 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.33 1a5a h GLN 250 Cb 0.49 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1a5a h GLN 250 CO 0.02 0.00 -0.04 1.98 -0.95 0.00 0.00 178.83 179.84 1a5a h MET 251 N 0.00 0.19 0.37 1.46 4.05 -0.84 -1.19 114.93 118.97 1a5a h MET 251 Ca 0.00 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1a5a h MET 251 Cb 0.84 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 1a5a h MET 251 CO 0.00 0.55 -0.28 -0.07 0.23 0.00 0.00 176.91 177.34 1a5a h LEU 252 N -0.18 -0.71 -0.96 3.39 4.07 -1.42 0.09 115.31 119.58 1a5a h LEU 252 Ca 0.02 0.05 0.21 0.00 0.08 0.00 0.00 57.88 58.24 1a5a h LEU 252 Cb 0.49 0.23 -0.12 0.00 1.08 0.00 0.00 40.66 42.35 1a5a h LEU 252 CO 0.01 -0.42 0.54 0.00 -1.08 0.00 0.00 178.44 177.50 1a5a h ALA 253 N -0.09 1.62 -0.06 1.53 0.00 -1.47 0.14 119.26 120.95 1a5a h ALA 253 Ca -0.03 0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1a5a h ALA 253 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a5a h ALA 253 CO 0.00 -0.19 -0.85 1.49 0.00 0.00 0.00 179.25 179.70 1a5a h GLU 254 N 0.61 0.51 -0.60 0.00 4.81 -0.81 -2.99 114.58 116.12 1a5a h GLU 254 Ca 0.59 -0.48 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1a5a h GLU 254 Cb 1.02 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1a5a h GLU 254 CO -0.44 1.11 0.20 -0.07 -0.73 0.00 0.00 179.01 179.08 1a5a h LEU 255 N 0.32 0.87 0.16 1.64 3.38 0.11 -2.10 115.31 119.69 1a5a h LEU 255 Ca -0.06 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1a5a h LEU 255 Cb 1.46 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1a5a h LEU 255 CO 0.15 0.84 -0.49 -0.09 0.09 0.00 0.00 178.44 178.94 1a5a h ARG 256 N 0.86 -0.70 -0.63 1.13 9.65 -0.81 -1.61 114.38 122.27 1a5a h ARG 256 Ca 0.20 0.05 0.09 0.00 -1.10 0.00 0.00 59.98 59.22 1a5a h ARG 256 Cb 0.27 0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 28.93 1a5a h ARG 256 CO -0.01 -0.47 0.26 0.77 2.80 0.00 0.00 179.97 183.32 1a5a h SER 257 N -0.73 0.27 0.03 -3.80 0.02 -1.42 -1.18 113.55 106.75 1a5a h SER 257 Ca -0.01 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1a5a h SER 257 Cb 0.71 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1a5a h SER 257 CO -0.24 0.16 -0.02 0.15 -1.14 0.00 0.00 176.83 175.74 1a5a h PHE 258 N 0.45 -0.04 -0.70 3.45 3.57 -1.06 -1.71 116.94 120.90 1a5a h PHE 258 Ca 0.32 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 1a5a h PHE 258 Cb 0.38 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1a5a h PHE 258 CO -0.15 -0.01 0.38 0.28 -2.23 0.00 0.00 178.31 176.58 1a5a h VAL 259 N -0.06 1.22 -0.84 1.41 2.07 -0.93 -1.45 116.25 117.67 1a5a h VAL 259 Ca -0.00 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.02 1a5a h VAL 259 Cb 0.05 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 1a5a h VAL 259 CO 0.01 0.24 0.51 0.28 0.02 0.00 0.00 177.57 178.63 1a5a h SER 260 N 0.97 0.79 0.07 0.57 0.02 -1.02 0.12 113.55 115.07 1a5a h SER 260 Ca 0.25 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1a5a h SER 260 Cb 0.05 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1a5a h SER 260 CO -0.04 0.50 -0.03 0.00 -1.14 0.00 0.00 176.83 176.12 1a5a h ALA 261 N 1.41 -0.09 -0.94 3.77 0.00 -0.87 -0.80 119.26 121.73 1a5a h ALA 261 Ca 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1a5a h ALA 261 Cb 0.20 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1a5a h ALA 261 CO -0.18 -0.38 0.57 0.52 0.00 0.00 0.00 179.25 179.77 1a5a h MET 262 N -0.43 1.28 -0.35 0.00 2.86 -1.01 -1.93 114.93 115.34 1a5a h MET 262 Ca -0.01 -0.12 -0.17 0.00 -2.06 0.00 0.00 59.70 57.35 1a5a h MET 262 Cb 0.38 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1a5a h MET 262 CO 0.02 0.89 -0.44 -0.22 1.06 0.00 0.00 176.91 178.22 1a5a h LYS 263 N 1.30 0.91 -0.06 1.72 1.63 -0.76 -2.88 116.57 118.43 1a5a h LYS 263 Ca 0.34 -0.52 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 1a5a h LYS 263 Cb -0.05 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1a5a h LYS 263 CO -0.06 1.16 -0.03 0.00 -3.45 0.00 0.00 179.45 177.07 1a5a h ALA 264 N 0.74 1.83 0.00 5.00 0.00 -0.71 -1.30 119.26 124.81 1a5a h ALA 264 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a5a h ALA 264 Cb 1.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1a5a h ALA 264 CO 0.10 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1a5a n ALA 265 N -2.52 2.02 0.43 0.00 0.00 -0.76 -2.48 120.51 117.19 1a5a n ALA 265 Ca -0.02 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1a5a n ALA 265 Cb 0.15 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 1a5a n ALA 265 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a5a n SER 266 N -1.37 0.44 -4.60 0.00 3.41 -0.50 -3.14 113.62 107.86 1a5a n SER 266 Ca 0.08 -0.43 -0.43 0.00 -0.26 0.00 0.00 58.87 57.83 1a5a n SER 266 Cb 0.19 1.55 -0.02 0.00 -0.26 0.00 0.00 64.21 65.67 1a5a n SER 266 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1a5a s ARG 267 N -3.29 3.63 0.00 4.33 0.52 -1.04 -0.94 118.95 122.16 1a5a s ARG 267 Ca -0.01 0.58 0.25 0.00 -0.52 0.00 0.00 55.73 56.03 1a5a s ARG 267 Cb 0.15 -3.96 0.42 0.00 0.52 0.00 0.00 34.95 32.07 1a5a s ARG 267 CO 0.89 -1.51 1.39 0.00 0.02 0.00 0.00 175.30 176.09