#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gua h TYR -7 N 0.00 0.64 -0.23 -0.67 0.05 -2.05 -1.81 116.97 112.90 3gua h TYR -7 Ca 0.00 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.60 3gua h TYR -7 Cb 0.00 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 3gua h TYR -7 CO 0.00 0.85 0.14 -0.22 -1.05 0.00 0.00 178.16 177.88 3gua h LYS -6 N 0.45 0.30 0.00 4.88 3.64 -2.05 0.12 116.57 123.91 3gua h LYS -6 Ca 0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3gua h LYS -6 Cb 0.88 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3gua h LYS -6 CO 0.08 0.24 -0.04 0.22 -2.27 0.00 0.00 179.45 177.67 3gua h ASP -5 N 0.28 0.00 0.06 4.20 -0.00 -1.97 0.57 116.42 119.57 3gua h ASP -5 Ca 0.08 0.00 -0.20 0.00 -0.00 0.00 0.00 57.03 56.91 3gua h ASP -5 Cb 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 39.36 3gua h ASP -5 CO -0.02 0.04 -0.83 0.44 -0.00 0.00 0.00 179.24 178.88 3gua h ASP -4 N 0.00 0.62 0.63 2.28 3.32 -0.87 -2.77 116.42 119.64 3gua h ASP -4 Ca -0.00 -0.82 -0.05 0.00 0.02 0.00 0.00 57.03 56.18 3gua h ASP -4 Cb 0.62 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3gua h ASP -4 CO 0.01 1.38 -0.22 -0.78 -1.72 0.00 0.00 179.24 177.90 3gua h ASP -3 N -0.05 0.00 1.16 6.45 3.58 -0.50 -2.51 116.42 124.55 3gua h ASP -3 Ca -0.12 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.16 3gua h ASP -3 Cb 1.56 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.58 3gua h ASP -3 CO 0.16 0.22 -0.81 0.44 -2.88 0.00 0.00 179.24 176.38 3gua h ASP -2 N 0.00 0.00 -0.20 2.28 3.45 -0.94 -0.46 116.42 120.56 3gua h ASP -2 Ca -0.00 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 3gua h ASP -2 Cb 0.60 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 3gua h ASP -2 CO 0.03 0.81 -0.45 0.11 -1.57 0.00 0.00 179.24 178.17 3gua h LYS -1 N 0.00 0.65 -0.77 3.56 1.57 -1.37 -2.98 116.57 117.24 3gua h LYS -1 Ca -0.01 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 3gua h LYS -1 Cb 1.61 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.94 3gua h LYS -1 CO 0.11 1.05 0.37 -0.07 -0.57 0.00 0.00 179.45 180.34 3gua h LEU 0 N 0.34 1.01 -0.23 2.94 3.38 -1.41 -1.19 115.31 120.15 3gua h LEU 0 Ca 0.00 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3gua h LEU 0 Cb 1.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3gua h LEU 0 CO 0.10 0.86 0.08 -0.74 0.09 0.00 0.00 178.44 178.83 3gua h HIS 1 N 1.09 0.14 -0.13 1.13 2.76 -1.14 -0.25 115.15 118.75 3gua h HIS 1 Ca 0.26 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.39 3gua h HIS 1 Cb 0.12 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3gua h HIS 1 CO 0.01 0.07 -0.18 0.66 -1.30 0.00 0.00 177.93 177.19 3gua h SER 2 N 0.19 0.21 -0.06 3.26 4.64 -1.32 -1.33 113.55 119.13 3gua h SER 2 Ca 0.10 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3gua h SER 2 Cb 0.07 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3gua h SER 2 CO -0.11 0.40 -0.03 1.56 -0.87 0.00 0.00 176.83 177.79 3gua h GLN 3 N 0.20 0.12 -0.97 4.77 4.20 -0.85 -2.78 115.11 119.80 3gua h GLN 3 Ca 0.04 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.77 3gua h GLN 3 Cb 0.44 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 3gua h GLN 3 CO 0.03 0.49 0.62 0.00 -0.67 0.00 0.00 178.83 179.30 3gua h ALA 4 N 0.62 1.36 -0.53 3.87 0.00 -0.68 -0.14 119.26 123.76 3gua h ALA 4 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gua h ALA 4 Cb 0.46 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gua h ALA 4 CO 0.01 0.38 0.34 -0.91 0.00 0.00 0.00 179.25 179.07 3gua h ASN 5 N 1.10 0.62 -0.46 0.00 2.35 -1.24 0.42 115.58 118.37 3gua h ASN 5 Ca 0.43 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 56.07 3gua h ASN 5 Cb 0.21 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3gua h ASN 5 CO -0.19 0.46 -0.02 0.25 -1.65 0.00 0.00 177.43 176.28 3gua h LEU 6 N 0.72 0.83 -0.76 1.61 5.85 -1.08 -1.33 115.31 121.14 3gua h LEU 6 Ca 0.19 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3gua h LEU 6 Cb -0.06 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 3gua h LEU 6 CO -0.04 0.95 0.49 0.24 -0.34 0.00 0.00 178.44 179.74 3gua h MET 7 N 0.69 0.95 -0.19 1.25 2.86 -0.79 -0.69 114.93 119.00 3gua h MET 7 Ca 0.13 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3gua h MET 7 Cb 0.54 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3gua h MET 7 CO 0.03 0.63 0.13 -0.09 1.06 0.00 0.00 176.91 178.66 3gua h ARG 8 N 0.98 0.25 0.29 1.72 2.43 -0.76 0.34 114.38 119.63 3gua h ARG 8 Ca 0.29 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3gua h ARG 8 Cb -0.04 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3gua h ARG 8 CO -0.09 0.17 -0.26 1.25 -1.51 0.00 0.00 179.97 179.53 3gua h LEU 9 N 0.26 -0.69 -0.49 3.80 5.85 -0.89 0.10 115.31 123.25 3gua h LEU 9 Ca 0.07 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3gua h LEU 9 Cb -0.03 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3gua h LEU 9 CO -0.02 -0.38 0.31 0.11 -0.34 0.00 0.00 178.44 178.12 3gua h LYS 10 N -0.57 0.65 -0.85 1.25 1.57 -1.08 0.18 116.57 117.72 3gua h LYS 10 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3gua h LYS 10 Cb 0.52 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 3gua h LYS 10 CO -0.04 0.45 0.42 1.03 -0.57 0.00 0.00 179.45 180.74 3gua h SER 11 N 0.66 1.09 -0.41 0.86 0.87 -0.78 -0.11 113.55 115.73 3gua h SER 11 Ca 0.18 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.50 3gua h SER 11 Cb -0.05 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.62 3gua h SER 11 CO -0.04 0.91 -0.16 0.44 -0.53 0.00 0.00 176.83 177.45 3gua h ASP 12 N 1.20 0.86 -0.34 6.23 3.32 -0.40 -2.03 116.42 125.25 3gua h ASP 12 Ca 0.29 -0.39 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 3gua h ASP 12 Cb 0.09 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3gua h ASP 12 CO -0.04 1.05 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.24 3gua h LEU 13 N 0.65 0.85 -0.04 1.55 3.38 -0.37 -2.73 115.31 118.59 3gua h LEU 13 Ca 0.10 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3gua h LEU 13 Cb 0.71 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3gua h LEU 13 CO 0.05 1.04 -0.21 0.15 0.09 0.00 0.00 178.44 179.56 3gua h PHE 14 N 0.72 0.29 0.00 1.13 -0.00 -1.05 -3.30 116.94 114.74 3gua h PHE 14 Ca 0.10 -0.13 0.00 0.00 -0.00 0.00 0.00 57.97 57.94 3gua h PHE 14 Cb 0.75 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.65 3gua h PHE 14 CO 0.04 0.85 0.00 0.09 -0.00 0.00 0.00 178.31 179.29 3gua n ASN 15 N -4.54 0.00 -4.75 0.41 4.13 -0.76 -4.87 115.26 104.87 3gua n ASN 15 Ca -0.09 -1.17 -0.41 0.00 1.68 0.00 0.00 54.58 54.59 3gua n ASN 15 Cb 0.45 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.67 3gua n ASN 15 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gua s ARG 16 N -2.00 4.22 1.02 3.52 1.70 -1.03 -4.95 118.95 121.43 3gua s ARG 16 Ca 0.30 2.39 -0.12 0.00 -0.47 0.00 0.00 55.73 57.83 3gua s ARG 16 Cb 0.14 -3.06 0.20 0.00 -0.57 0.00 0.00 34.95 31.65 3gua s ARG 16 CO 0.23 -0.46 1.08 0.45 -1.08 0.00 0.00 175.30 175.52 3gua s SER 17 N 0.22 2.40 0.00 -2.89 0.15 -1.26 -2.58 113.70 109.74 3gua s SER 17 Ca 0.58 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.58 3gua s SER 17 Cb -0.44 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3gua s SER 17 CO 0.48 -3.29 0.00 -2.65 1.20 0.00 0.00 173.24 168.98 3gua n PRO 18 N -4.30 -1.41 0.00 5.44 -0.02 -1.26 -4.81 135.00 128.64 3gua n PRO 18 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3gua n PRO 18 Cb 0.56 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 3gua n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gua n MET 19 N -0.53 0.00 0.00 -0.52 0.00 -1.07 -4.19 117.12 110.81 3gua n MET 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3gua n MET 19 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.33 3gua n MET 19 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 3gua n TYR 20 N 0.00 0.00 -1.17 3.17 4.19 -1.26 -4.93 117.16 117.16 3gua n TYR 20 Ca 0.00 0.00 -0.17 0.00 3.31 0.00 0.00 57.90 61.04 3gua n TYR 20 Cb 0.00 0.00 0.22 0.00 0.49 0.00 0.00 39.34 40.05 3gua n TYR 20 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3gua n PRO 21 N 0.00 2.76 0.00 2.98 -0.04 -1.26 -4.99 135.00 134.45 3gua n PRO 21 Ca 0.00 -3.05 0.00 0.00 -0.04 0.00 0.00 63.50 60.41 3gua n PRO 21 Cb 0.00 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 3gua n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gua n GLY 22 N -0.80 -1.27 3.75 0.55 0.00 -1.26 -4.96 105.19 101.20 3gua n GLY 22 Ca 0.53 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 3gua n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gua s PRO 23 N -2.95 3.16 0.30 1.61 0.04 -1.26 -5.04 135.00 130.86 3gua s PRO 23 Ca 0.00 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.08 3gua s PRO 23 Cb 0.00 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3gua s PRO 23 CO 0.00 -1.10 0.18 0.95 0.04 0.00 0.00 177.00 177.06 3gua s THR 24 N -1.44 0.25 0.19 1.26 -4.23 -1.15 -4.96 115.64 105.56 3gua s THR 24 Ca 0.73 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.12 3gua s THR 24 Cb -0.35 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.10 3gua s THR 24 CO 0.40 0.00 1.78 0.11 -0.54 0.00 0.00 174.62 176.37 3gua h LYS 25 N 2.22 0.51 0.00 3.99 1.57 -1.92 -1.81 116.57 121.13 3gua h LYS 25 Ca -0.32 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3gua h LYS 25 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3gua h LYS 25 CO 0.50 0.34 0.00 -0.25 -0.57 0.00 0.00 179.45 179.46 3gua n ASP 26 N -4.88 0.00 -3.01 0.86 8.00 -1.26 -4.09 116.55 112.17 3gua n ASP 26 Ca 0.06 0.46 -0.15 0.00 0.71 0.00 0.00 54.79 55.88 3gua n ASP 26 Cb 0.17 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3gua n ASP 26 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gua n ASP 27 N -1.49 0.48 -4.17 -2.24 2.03 -0.82 -5.14 116.55 105.22 3gua n ASP 27 Ca 0.06 -3.01 -0.29 0.00 0.52 0.00 0.00 54.79 52.06 3gua n ASP 27 Cb 0.26 -0.25 0.21 0.00 -0.72 0.00 0.00 41.12 40.62 3gua n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3gua s PRO 28 N -2.16 -0.42 -0.04 -0.67 0.04 -0.74 -2.91 135.00 128.09 3gua s PRO 28 Ca 0.35 0.08 -0.09 0.00 0.04 0.00 0.00 61.00 61.39 3gua s PRO 28 Cb 0.37 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 33.25 3gua s PRO 28 CO -0.05 -3.21 0.21 -1.17 0.04 0.00 0.00 177.00 172.81 3gua s LEU 29 N -6.64 1.24 -0.19 -3.56 2.96 0.14 -4.91 118.68 107.73 3gua s LEU 29 Ca 0.69 0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 54.75 3gua s LEU 29 Cb -0.12 0.81 -0.01 0.00 0.50 0.00 0.00 46.19 47.37 3gua s LEU 29 CO 0.56 -0.23 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.39 3gua s THR 30 N -0.61 3.27 -0.19 3.68 2.01 -1.26 -0.44 115.64 122.10 3gua s THR 30 Ca -0.07 -0.55 -0.08 0.00 0.31 0.00 0.00 61.69 61.31 3gua s THR 30 Cb -0.04 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 3gua s THR 30 CO 0.01 0.46 0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 3gua s VAL 31 N 1.05 4.80 -0.21 3.82 1.01 0.53 -4.40 120.40 127.00 3gua s VAL 31 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 3gua s VAL 31 Cb -0.15 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3gua s VAL 31 CO -0.01 0.44 0.20 -0.89 0.00 0.00 0.00 175.10 174.84 3gua s THR 32 N 0.52 5.35 -0.06 3.92 2.01 0.17 -1.40 115.64 126.15 3gua s THR 32 Ca 0.04 0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.35 3gua s THR 32 Cb -0.13 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 3gua s THR 32 CO 0.01 0.38 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.50 3gua s LEU 33 N 0.71 3.24 0.02 4.42 1.43 0.16 -1.71 118.68 126.95 3gua s LEU 33 Ca 0.11 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3gua s LEU 33 Cb -0.13 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 3gua s LEU 33 CO 0.02 0.36 0.08 -0.83 0.23 0.00 0.00 176.35 176.21 3gua s GLY 34 N -0.90 0.14 -0.12 -3.19 0.00 -0.63 -4.25 107.32 98.36 3gua s GLY 34 Ca 0.13 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.49 3gua s GLY 34 CO 0.02 -0.51 -0.22 -1.36 0.00 0.00 0.00 173.10 171.04 3gua s PHE 35 N -1.79 2.64 -0.42 1.90 0.08 -1.26 -1.01 117.98 118.11 3gua s PHE 35 Ca -0.12 -1.13 -0.14 0.00 0.12 0.00 0.00 56.93 55.66 3gua s PHE 35 Cb -0.06 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.65 3gua s PHE 35 CO -0.01 -0.48 0.31 0.99 -0.10 0.00 0.00 175.22 175.93 3gua s THR 36 N 0.56 5.13 -0.22 0.64 2.01 -0.55 -0.81 115.64 122.40 3gua s THR 36 Ca -0.13 -0.81 -0.23 0.00 0.31 0.00 0.00 61.69 60.84 3gua s THR 36 Cb -0.17 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 3gua s THR 36 CO 0.04 -0.37 0.73 -0.22 -0.69 0.00 0.00 174.62 174.11 3gua s LEU 37 N 1.64 4.12 -0.27 4.42 2.96 -0.93 -0.12 118.68 130.51 3gua s LEU 37 Ca 0.04 0.94 -0.15 0.00 -0.22 0.00 0.00 54.13 54.75 3gua s LEU 37 Cb -0.20 -3.04 -0.13 0.00 0.50 0.00 0.00 46.19 43.31 3gua s LEU 37 CO 0.08 -0.39 -0.25 0.00 -1.32 0.00 0.00 176.35 174.47 3gua n GLN 38 N 5.49 0.59 -3.70 1.98 6.02 0.39 -3.34 117.38 124.80 3gua n GLN 38 Ca 0.02 0.31 -0.13 0.00 -0.01 0.00 0.00 57.00 57.19 3gua n GLN 38 Cb 0.49 -1.54 -0.09 0.00 1.02 0.00 0.00 30.24 30.12 3gua n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3gua s ASP 39 N -7.36 -0.53 -0.51 1.08 2.15 -0.87 0.10 116.67 110.72 3gua s ASP 39 Ca -0.37 1.02 -0.19 0.00 0.43 0.00 0.00 52.55 53.44 3gua s ASP 39 Cb 0.13 1.03 0.06 0.00 -0.30 0.00 0.00 42.92 43.85 3gua s ASP 39 CO 0.51 -0.18 0.61 -0.63 -0.17 0.00 0.00 175.17 175.32 3gua s ILE 40 N 0.28 4.90 -0.05 4.11 1.01 -1.26 -1.00 121.20 129.19 3gua s ILE 40 Ca -0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 60.65 59.81 3gua s ILE 40 Cb -0.04 -4.30 -0.26 0.00 0.01 0.00 0.00 42.46 37.88 3gua s ILE 40 CO 0.01 -0.82 0.97 0.58 0.00 0.00 0.00 174.94 175.68 3gua h VAL 41 N 5.86 1.56 -3.17 2.92 2.07 -1.39 -3.40 116.25 120.70 3gua h VAL 41 Ca -0.28 -2.15 -0.19 0.00 0.82 0.00 0.00 66.70 64.90 3gua h VAL 41 Cb 1.10 2.93 -0.28 0.00 -1.52 0.00 0.00 31.29 33.52 3gua h VAL 41 CO 0.97 0.60 -0.49 -0.75 0.02 0.00 0.00 177.57 177.92 3gua s LYS 42 N -2.85 0.22 -0.33 1.57 2.20 -1.23 -4.90 119.74 114.42 3gua s LYS 42 Ca -0.15 0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 3gua s LYS 42 Cb 0.01 0.01 0.10 0.00 -1.51 0.00 0.00 37.83 36.44 3gua s LYS 42 CO 0.77 -0.09 0.06 0.00 -0.36 0.00 0.00 175.35 175.73 3gua s ALA 43 N 0.59 2.58 -0.54 3.13 0.00 -1.26 -0.71 121.76 125.55 3gua s ALA 43 Ca -0.04 -2.32 -0.24 0.00 0.00 0.00 0.00 51.96 49.36 3gua s ALA 43 Cb -0.05 -1.88 0.04 0.00 0.00 0.00 0.00 23.12 21.23 3gua s ALA 43 CO -0.03 -1.67 0.90 0.34 0.00 0.00 0.00 175.76 175.29 3gua s ASP 44 N 1.07 6.33 0.11 0.00 -1.08 0.02 -4.89 116.67 118.24 3gua s ASP 44 Ca 0.10 -0.39 0.27 0.00 -0.52 0.00 0.00 52.55 52.01 3gua s ASP 44 Cb -0.19 -2.42 0.84 0.00 -1.46 0.00 0.00 42.92 39.69 3gua s ASP 44 CO -0.12 -1.17 1.71 -1.54 0.52 0.00 0.00 175.17 174.57 3gua n SER 45 N 7.28 0.51 -0.02 -0.34 3.41 -1.26 -0.95 113.62 122.25 3gua n SER 45 Ca 0.01 0.40 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 3gua n SER 45 Cb 0.47 -0.44 0.38 0.00 -0.26 0.00 0.00 64.21 64.36 3gua n SER 45 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gua n SER 46 N -1.93 0.39 0.00 4.04 3.41 -1.26 -4.08 113.62 114.19 3gua n SER 46 Ca 0.06 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3gua n SER 46 Cb 0.39 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3gua n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gua n THR 47 N -1.42 0.00 -3.87 6.66 -2.24 -1.18 -5.04 114.28 107.18 3gua n THR 47 Ca 0.07 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 3gua n THR 47 Cb 0.33 1.55 0.01 0.00 -2.10 0.00 0.00 70.33 70.12 3gua n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gua n ASN 48 N -0.02 -2.62 -4.24 3.42 3.02 -0.13 -4.93 115.26 109.76 3gua n ASN 48 Ca 0.00 -1.05 -0.30 0.00 -0.03 0.00 0.00 54.58 53.20 3gua n ASN 48 Cb 0.14 -2.99 -0.16 0.00 -0.61 0.00 0.00 39.78 36.16 3gua n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3gua s GLU 49 N -6.45 2.22 -0.02 3.52 2.02 -1.02 -1.63 118.70 117.34 3gua s GLU 49 Ca 0.24 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.47 3gua s GLU 49 Cb -0.10 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 3gua s GLU 49 CO 0.89 0.39 -0.22 0.08 0.02 0.00 0.00 175.26 176.42 3gua s VAL 50 N -0.24 1.71 -0.28 2.63 1.01 -0.15 -0.80 120.40 124.29 3gua s VAL 50 Ca -0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 3gua s VAL 50 Cb -0.12 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3gua s VAL 50 CO 0.02 0.48 0.07 -1.81 0.00 0.00 0.00 175.10 173.86 3gua s ASP 51 N -0.53 5.07 0.05 3.32 1.11 0.12 -1.62 116.67 124.19 3gua s ASP 51 Ca 0.08 -0.60 0.05 0.00 0.18 0.00 0.00 52.55 52.26 3gua s ASP 51 Cb -0.08 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 41.99 3gua s ASP 51 CO -0.01 -0.15 -0.07 -0.76 1.18 0.00 0.00 175.17 175.36 3gua s LEU 52 N 1.52 3.15 -0.15 1.23 1.43 -0.26 -0.91 118.68 124.68 3gua s LEU 52 Ca 0.03 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3gua s LEU 52 Cb -0.17 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3gua s LEU 52 CO 0.02 0.23 -0.21 -0.69 0.23 0.00 0.00 176.35 175.93 3gua s VAL 53 N -1.12 2.08 0.13 -1.59 1.01 -0.17 -0.67 120.40 120.08 3gua s VAL 53 Ca 0.20 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3gua s VAL 53 Cb -0.11 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3gua s VAL 53 CO 0.11 0.55 0.19 -0.72 0.00 0.00 0.00 175.10 175.23 3gua s TYR 54 N 0.97 0.44 -0.23 5.22 -0.85 -0.72 -0.46 117.35 121.72 3gua s TYR 54 Ca -0.03 -0.84 -0.10 0.00 -0.52 0.00 0.00 57.07 55.58 3gua s TYR 54 Cb -0.15 -0.17 -0.05 0.00 0.38 0.00 0.00 41.96 41.97 3gua s TYR 54 CO -0.06 -0.61 0.15 0.71 -1.52 0.00 0.00 175.55 174.22 3gua s TYR 55 N -3.95 3.35 -0.36 -3.49 4.12 0.84 -1.14 117.35 116.70 3gua s TYR 55 Ca 0.15 0.26 -0.10 0.00 0.02 0.00 0.00 57.07 57.40 3gua s TYR 55 Cb 0.05 -2.23 0.03 0.00 -1.52 0.00 0.00 41.96 38.29 3gua s TYR 55 CO -0.03 0.14 0.18 -2.00 0.02 0.00 0.00 175.55 173.86 3gua s GLU 56 N 0.82 2.78 -0.25 -0.62 2.12 -0.51 -1.48 118.70 121.55 3gua s GLU 56 Ca 0.08 -1.10 -0.13 0.00 0.36 0.00 0.00 54.97 54.17 3gua s GLU 56 Cb -0.13 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 3gua s GLU 56 CO 0.02 -0.69 0.30 -1.14 -0.54 0.00 0.00 175.26 173.21 3gua s GLN 57 N 1.52 4.04 -0.04 4.30 0.74 -0.18 -3.21 119.66 126.83 3gua s GLN 57 Ca 0.01 -0.07 0.06 0.00 0.05 0.00 0.00 55.36 55.41 3gua s GLN 57 Cb -0.19 -3.61 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 3gua s GLN 57 CO 0.06 -0.15 -0.21 -0.65 -0.55 0.00 0.00 175.29 173.79 3gua s GLN 58 N 1.67 2.33 -0.03 1.67 -0.21 0.53 -1.61 119.66 124.02 3gua s GLN 58 Ca 0.12 -0.82 -0.02 0.00 0.02 0.00 0.00 55.36 54.66 3gua s GLN 58 Cb -0.15 -2.20 0.01 0.00 1.00 0.00 0.00 33.01 31.66 3gua s GLN 58 CO 0.09 0.57 0.07 0.50 -2.12 0.00 0.00 175.29 174.40 3gua s ARG 59 N -0.62 0.08 0.26 2.91 3.52 -0.69 -1.65 118.95 122.76 3gua s ARG 59 Ca 0.09 0.12 -0.18 0.00 -0.13 0.00 0.00 55.73 55.63 3gua s ARG 59 Cb -0.11 0.02 0.01 0.00 -1.56 0.00 0.00 34.95 33.31 3gua s ARG 59 CO 0.00 -0.03 0.64 1.67 -0.81 0.00 0.00 175.30 176.77 3gua s TRP 60 N 0.15 -0.03 -0.06 5.12 -2.14 -1.09 -0.66 118.94 120.23 3gua s TRP 60 Ca -0.01 -0.39 0.00 0.00 2.66 0.00 0.00 56.10 58.36 3gua s TRP 60 Cb -0.02 0.54 0.02 0.00 -3.10 0.00 0.00 33.47 30.91 3gua s TRP 60 CO -0.00 -1.14 -0.03 0.21 -2.66 0.00 0.00 176.95 173.32 3gua s LYS 61 N -3.94 0.77 -0.09 3.25 2.20 -1.26 -0.07 119.74 120.60 3gua s LYS 61 Ca 0.14 -0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.76 3gua s LYS 61 Cb -0.04 -0.91 -0.00 0.00 -1.51 0.00 0.00 37.83 35.36 3gua s LYS 61 CO 0.07 -0.17 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.15 3gua s LEU 62 N 1.32 2.13 0.38 5.43 1.43 0.34 -4.92 118.68 124.79 3gua s LEU 62 Ca -0.05 -0.53 0.11 0.00 -1.03 0.00 0.00 54.13 52.63 3gua s LEU 62 Cb -0.13 -1.42 0.88 0.00 0.03 0.00 0.00 46.19 45.55 3gua s LEU 62 CO -0.02 0.18 1.90 0.78 0.23 0.00 0.00 176.35 179.41 3gua h ASN 63 N 6.58 0.57 0.07 2.29 2.35 -1.89 -1.69 115.58 123.87 3gua h ASN 63 Ca -0.22 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 3gua h ASN 63 Cb 1.23 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3gua h ASN 63 CO 0.48 0.30 0.00 -1.54 -1.65 0.00 0.00 177.43 175.02 3gua n SER 64 N -4.52 0.00 -0.42 5.81 3.41 -1.26 -1.84 113.62 114.79 3gua n SER 64 Ca 0.15 -0.59 0.04 0.00 -0.26 0.00 0.00 58.87 58.21 3gua n SER 64 Cb 0.45 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.44 3gua n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gua n LEU 65 N -1.05 2.33 -4.78 1.04 4.77 -0.64 -4.97 117.00 113.70 3gua n LEU 65 Ca 0.16 -1.64 -0.36 0.00 -0.03 0.00 0.00 56.01 54.14 3gua n LEU 65 Cb 0.09 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3gua n LEU 65 CO 0.13 0.55 0.78 -0.04 -1.33 0.00 0.00 177.39 177.49 3gua s MET 66 N -0.89 3.71 0.16 3.23 -1.94 -0.77 -3.87 119.30 118.93 3gua s MET 66 Ca 0.14 1.61 -0.19 0.00 -1.71 0.00 0.00 55.69 55.55 3gua s MET 66 Cb 0.08 -2.25 0.04 0.00 2.01 0.00 0.00 34.83 34.71 3gua s MET 66 CO 0.11 -0.56 0.50 1.67 -0.01 0.00 0.00 175.02 176.74 3gua s TRP 67 N -1.70 -0.29 -0.41 -0.03 -2.14 -0.16 -4.94 118.94 109.27 3gua s TRP 67 Ca 0.66 -0.00 -0.17 0.00 2.66 0.00 0.00 56.10 59.25 3gua s TRP 67 Cb -0.24 0.40 0.02 0.00 -3.10 0.00 0.00 33.47 30.54 3gua s TRP 67 CO 0.29 -0.81 0.45 0.34 -2.66 0.00 0.00 176.95 174.55 3gua s ASP 68 N -2.81 6.21 0.54 -2.66 2.15 -1.26 -4.66 116.67 114.18 3gua s ASP 68 Ca 0.04 -0.55 0.35 0.00 0.43 0.00 0.00 52.55 52.82 3gua s ASP 68 Cb 0.00 -2.23 1.52 0.00 -0.30 0.00 0.00 42.92 41.91 3gua s ASP 68 CO -0.10 -0.55 1.83 -0.65 -0.17 0.00 0.00 175.17 175.53 3gua h PRO 69 N 8.68 0.00 0.00 4.34 0.11 -1.93 0.23 132.00 143.43 3gua h PRO 69 Ca -0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3gua h PRO 69 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3gua h PRO 69 CO 0.79 0.00 -0.18 -0.91 -0.21 0.00 0.00 178.00 177.49 3gua h ASN 70 N 0.00 0.00 0.68 -2.05 2.35 -1.92 0.17 115.58 114.81 3gua h ASN 70 Ca 0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 3gua h ASN 70 Cb 2.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.41 3gua h ASN 70 CO -0.01 0.18 -0.40 -0.62 -1.65 0.00 0.00 177.43 174.93 3gua n GLU 71 N -4.10 0.05 -2.61 0.81 1.02 0.80 -4.31 120.64 112.29 3gua n GLU 71 Ca -0.02 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.93 3gua n GLU 71 Cb 0.25 -1.53 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 3gua n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3gua n TYR 72 N -1.61 2.53 -3.93 -0.32 4.01 -0.65 -4.97 117.16 112.23 3gua n TYR 72 Ca 0.05 -3.12 -0.28 0.00 -0.16 0.00 0.00 57.90 54.40 3gua n TYR 72 Cb 0.35 -0.23 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 3gua n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gua n GLY 73 N -0.28 -0.38 2.62 2.72 0.00 -1.18 -1.85 105.19 106.84 3gua n GLY 73 Ca 0.27 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 3gua n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gua n ASN 74 N -2.89 -5.14 -4.71 1.61 4.13 0.50 -4.95 115.26 103.81 3gua n ASN 74 Ca -0.11 0.29 -0.42 0.00 1.68 0.00 0.00 54.58 56.02 3gua n ASN 74 Cb 0.59 -3.97 -0.03 0.00 -1.54 0.00 0.00 39.78 34.83 3gua n ASN 74 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gua s ILE 75 N -1.96 3.03 -0.22 2.41 1.01 -0.77 -4.91 121.20 119.80 3gua s ILE 75 Ca 0.00 0.70 0.09 0.00 0.00 0.00 0.00 60.65 61.44 3gua s ILE 75 Cb 0.00 -3.45 -0.11 0.00 0.01 0.00 0.00 42.46 38.91 3gua s ILE 75 CO 0.00 0.05 0.28 0.35 0.00 0.00 0.00 174.94 175.62 3gua n THR 76 N 4.08 0.00 -3.57 2.92 -2.24 -1.26 -4.36 114.28 109.85 3gua n THR 76 Ca 0.13 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 3gua n THR 76 Cb 0.41 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 3gua n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3gua s ASP 77 N -2.36 -0.41 0.04 3.42 -4.77 -1.26 -1.43 116.67 109.89 3gua s ASP 77 Ca 0.00 0.45 -0.01 0.00 -3.30 0.00 0.00 52.55 49.70 3gua s ASP 77 Cb 0.06 0.34 -0.03 0.00 -1.09 0.00 0.00 42.92 42.20 3gua s ASP 77 CO 0.36 -0.38 -0.03 0.72 0.70 0.00 0.00 175.17 176.54 3gua s PHE 78 N -1.12 0.42 -0.06 2.11 -0.12 -0.03 -4.98 117.98 114.20 3gua s PHE 78 Ca -0.03 -0.86 -0.15 0.00 -0.05 0.00 0.00 56.93 55.85 3gua s PHE 78 Cb -0.00 -0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 42.02 3gua s PHE 78 CO 0.03 -0.31 0.38 1.03 -0.05 0.00 0.00 175.22 176.31 3gua s ARG 79 N -2.95 4.02 0.05 1.99 3.00 -1.26 -0.74 118.95 123.05 3gua s ARG 79 Ca -0.02 0.33 -0.04 0.00 0.00 0.00 0.00 55.73 55.99 3gua s ARG 79 Cb 0.01 -3.29 -0.02 0.00 0.00 0.00 0.00 34.95 31.65 3gua s ARG 79 CO -0.06 0.52 0.07 -0.08 0.00 0.00 0.00 175.30 175.74 3gua s THR 80 N -0.49 0.16 0.34 0.02 -1.32 -0.47 -5.00 115.64 108.88 3gua s THR 80 Ca 0.22 -1.33 -0.29 0.00 -1.21 0.00 0.00 61.69 59.09 3gua s THR 80 Cb -0.15 -1.14 -0.11 0.00 -1.51 0.00 0.00 72.50 69.59 3gua s THR 80 CO 0.11 -0.73 1.47 -0.55 -2.21 0.00 0.00 174.62 172.71 3gua s SER 81 N -2.47 6.45 0.63 8.08 0.15 -1.26 -0.93 113.70 124.34 3gua s SER 81 Ca -0.00 2.94 0.41 0.00 0.70 0.00 0.00 55.95 59.99 3gua s SER 81 Cb 0.02 -2.65 2.04 0.00 -1.71 0.00 0.00 66.02 63.72 3gua s SER 81 CO -0.07 -0.81 2.23 0.00 1.20 0.00 0.00 173.24 175.79 3gua h ALA 82 N 3.60 1.00 0.00 5.45 0.00 -1.12 -0.23 119.26 127.97 3gua h ALA 82 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gua h ALA 82 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gua h ALA 82 CO 0.68 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3gua n ALA 83 N -2.09 2.08 0.91 0.00 0.00 -1.26 -3.14 120.51 117.02 3gua n ALA 83 Ca -0.02 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.51 3gua n ALA 83 Cb 0.16 -1.41 0.46 0.00 0.00 0.00 0.00 19.45 18.66 3gua n ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gua n ASP 84 N -1.81 0.30 -4.15 0.00 8.00 -0.10 -4.89 116.55 113.91 3gua n ASP 84 Ca 0.05 0.29 -0.11 0.00 0.71 0.00 0.00 54.79 55.74 3gua n ASP 84 Cb 0.31 -0.30 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 3gua n ASP 84 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3gua s ILE 85 N -3.03 0.62 0.33 0.53 -4.36 -1.19 -5.07 121.20 109.05 3gua s ILE 85 Ca 0.12 -1.81 -0.29 0.00 -0.26 0.00 0.00 60.65 58.42 3gua s ILE 85 Cb 0.17 -1.52 -0.11 0.00 1.25 0.00 0.00 42.46 42.25 3gua s ILE 85 CO 0.60 -0.82 1.41 0.86 0.24 0.00 0.00 174.94 177.22 3gua s TRP 86 N -3.35 2.87 0.07 1.37 -0.00 -1.26 -4.94 118.94 113.69 3gua s TRP 86 Ca 0.08 1.23 0.03 0.00 -0.00 0.00 0.00 56.10 57.44 3gua s TRP 86 Cb 0.03 -3.85 -0.03 0.00 -0.00 0.00 0.00 33.47 29.63 3gua s TRP 86 CO -0.05 -2.49 -0.10 0.95 -0.00 0.00 0.00 176.95 175.26 3gua s THR 87 N -0.87 0.82 0.52 5.86 -4.23 -1.26 -5.10 115.64 111.38 3gua s THR 87 Ca 0.53 -1.37 -0.19 0.00 -1.18 0.00 0.00 61.69 59.48 3gua s THR 87 Cb -0.43 -1.03 -0.07 0.00 1.34 0.00 0.00 72.50 72.31 3gua s THR 87 CO 0.55 -0.43 1.04 -2.16 -0.54 0.00 0.00 174.62 173.08 3gua s PRO 88 N -2.15 3.66 -0.43 3.99 0.04 -1.26 -4.92 135.00 133.92 3gua s PRO 88 Ca -0.02 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 3gua s PRO 88 Cb -0.07 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.44 3gua s PRO 88 CO 0.00 -0.54 2.82 -0.40 0.04 0.00 0.00 177.00 178.93 3gua n ASP 89 N -1.34 6.41 -4.65 6.66 5.75 -1.26 -4.96 116.55 123.15 3gua n ASP 89 Ca 0.09 -3.16 -0.43 0.00 -0.01 0.00 0.00 54.79 51.28 3gua n ASP 89 Cb 0.53 -1.25 -0.02 0.00 -1.03 0.00 0.00 41.12 39.35 3gua n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3gua s ILE 90 N -2.04 4.15 0.10 2.12 -1.09 -1.26 -2.51 121.20 120.67 3gua s ILE 90 Ca 0.59 1.37 0.07 0.00 -2.23 0.00 0.00 60.65 60.46 3gua s ILE 90 Cb 0.38 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 3gua s ILE 90 CO -0.21 -0.19 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.23 3gua s THR 91 N 3.80 1.53 0.08 2.92 2.01 0.28 -4.88 115.64 121.37 3gua s THR 91 Ca 0.58 -1.49 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 3gua s THR 91 Cb -0.22 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 3gua s THR 91 CO 0.18 -0.13 1.17 0.00 -0.69 0.00 0.00 174.62 175.16 3gua s ALA 92 N -1.25 3.37 -0.41 7.40 0.00 -1.26 -1.27 121.76 128.34 3gua s ALA 92 Ca 0.04 0.83 0.22 0.00 0.00 0.00 0.00 51.96 53.05 3gua s ALA 92 Cb -0.10 -3.42 0.31 0.00 0.00 0.00 0.00 23.12 19.91 3gua s ALA 92 CO 0.04 -0.38 1.59 1.88 0.00 0.00 0.00 175.76 178.88 3gua h TYR 93 N 6.47 0.00 -0.71 0.00 0.05 -0.95 -3.35 116.97 118.49 3gua h TYR 93 Ca -0.42 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 57.91 3gua h TYR 93 Cb 1.21 0.00 -0.42 0.00 1.01 0.00 0.00 36.73 38.54 3gua h TYR 93 CO 0.66 0.05 -0.92 -1.13 -1.05 0.00 0.00 178.16 175.76 3gua n SER 94 N -3.11 3.71 -4.83 3.88 3.41 -1.26 -5.02 113.62 110.40 3gua n SER 94 Ca 0.04 -3.16 -0.32 0.00 -0.26 0.00 0.00 58.87 55.18 3gua n SER 94 Cb 0.55 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 3gua n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gua s SER 95 N -3.65 5.93 0.00 4.04 1.04 -1.26 -1.72 113.70 118.09 3gua s SER 95 Ca 0.42 1.62 0.04 0.00 0.48 0.00 0.00 55.95 58.51 3gua s SER 95 Cb 0.38 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.98 3gua s SER 95 CO -0.00 -1.06 0.26 0.35 0.98 0.00 0.00 173.24 173.77 3gua n THR 96 N -2.43 0.00 -3.97 2.02 -2.24 0.86 -4.80 114.28 103.71 3gua n THR 96 Ca 0.07 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 3gua n THR 96 Cb 0.54 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 3gua n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gua s ARG 97 N -1.07 0.47 0.25 -0.78 1.81 -1.24 -5.04 118.95 113.34 3gua s ARG 97 Ca 0.02 -0.74 -0.31 0.00 -1.72 0.00 0.00 55.73 52.98 3gua s ARG 97 Cb 0.03 0.17 -0.12 0.00 -0.45 0.00 0.00 34.95 34.58 3gua s ARG 97 CO 0.12 -0.10 1.62 -2.30 -0.68 0.00 0.00 175.30 173.96 3gua n PRO 98 N 1.07 2.61 -1.62 3.54 -0.02 -1.26 -4.63 135.00 134.68 3gua n PRO 98 Ca -0.21 0.93 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 3gua n PRO 98 Cb 0.57 -2.73 0.02 0.00 -0.02 0.00 0.00 33.50 31.34 3gua n PRO 98 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gua n VAL 99 N 2.87 2.57 -4.32 -1.45 0.31 -1.26 -4.90 118.33 112.15 3gua n VAL 99 Ca 0.12 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.61 3gua n VAL 99 Cb 0.35 -1.22 -0.13 0.00 -0.91 0.00 0.00 33.84 31.93 3gua n VAL 99 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3gua s GLN 100 N -2.11 3.59 -0.18 5.55 -0.21 -0.66 -4.99 119.66 120.65 3gua s GLN 100 Ca 0.64 -0.55 -0.22 0.00 0.02 0.00 0.00 55.36 55.24 3gua s GLN 100 Cb -0.54 -2.93 -0.02 0.00 1.00 0.00 0.00 33.01 30.53 3gua s GLN 100 CO 0.56 0.13 0.69 0.08 -2.12 0.00 0.00 175.29 174.64 3gua s VAL 101 N 0.64 4.98 -0.31 1.09 1.01 -1.26 -0.97 120.40 125.58 3gua s VAL 101 Ca -0.03 1.34 0.22 0.00 0.00 0.00 0.00 61.98 63.51 3gua s VAL 101 Cb -0.14 -4.01 -0.30 0.00 0.00 0.00 0.00 36.38 31.93 3gua s VAL 101 CO 0.02 0.10 0.62 0.18 0.00 0.00 0.00 175.10 176.02 3gua n LEU 102 N 4.98 0.30 -4.61 3.92 4.77 0.17 -4.98 117.00 121.55 3gua n LEU 102 Ca 0.00 -0.13 -0.26 0.00 -0.03 0.00 0.00 56.01 55.59 3gua n LEU 102 Cb 0.50 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 3gua n LEU 102 CO 0.45 0.06 -0.31 -0.94 -1.33 0.00 0.00 177.39 175.33 3gua s SER 103 N -4.11 3.97 0.80 -1.43 1.04 -1.24 -4.94 113.70 107.78 3gua s SER 103 Ca -0.03 -1.18 -0.14 0.00 0.48 0.00 0.00 55.95 55.08 3gua s SER 103 Cb 0.14 -0.42 0.07 0.00 0.10 0.00 0.00 66.02 65.91 3gua s SER 103 CO 0.89 -0.32 1.19 -2.65 0.98 0.00 0.00 173.24 173.33 3gua n PRO 104 N -0.94 0.25 -2.99 4.02 -0.02 -1.26 -4.85 135.00 129.22 3gua n PRO 104 Ca -0.04 0.16 -0.44 0.00 -2.02 0.00 0.00 63.50 61.16 3gua n PRO 104 Cb 0.64 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3gua n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3gua n GLN 105 N -3.11 3.82 -4.65 -0.52 1.13 -1.26 -4.81 117.38 107.99 3gua n GLN 105 Ca 0.14 -4.22 -0.25 0.00 -1.94 0.00 0.00 57.00 50.73 3gua n GLN 105 Cb 0.50 -2.69 -0.16 0.00 0.11 0.00 0.00 30.24 28.00 3gua n GLN 105 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3gua s ILE 106 N -0.96 1.20 0.23 5.09 1.01 -1.26 -0.51 121.20 125.99 3gua s ILE 106 Ca 0.35 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.52 3gua s ILE 106 Cb -0.01 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 3gua s ILE 106 CO 0.01 0.36 0.06 0.00 0.00 0.00 0.00 174.94 175.37 3gua s ALA 107 N 0.36 3.31 -0.19 9.38 0.00 -0.11 -4.57 121.76 129.94 3gua s ALA 107 Ca -0.09 -1.47 -0.02 0.00 0.00 0.00 0.00 51.96 50.38 3gua s ALA 107 Cb -0.13 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 3gua s ALA 107 CO 0.03 0.35 -0.10 0.08 0.00 0.00 0.00 175.76 176.11 3gua s VAL 108 N -2.05 2.94 -0.12 0.00 1.01 -0.16 -1.37 120.40 120.65 3gua s VAL 108 Ca 0.30 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3gua s VAL 108 Cb -0.08 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3gua s VAL 108 CO 0.21 0.47 -0.01 -0.69 0.00 0.00 0.00 175.10 175.09 3gua s VAL 109 N 1.25 4.21 0.20 2.92 1.01 0.08 -0.61 120.40 129.46 3gua s VAL 109 Ca 0.03 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.84 3gua s VAL 109 Cb -0.14 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3gua s VAL 109 CO -0.05 0.55 -0.10 -0.89 0.00 0.00 0.00 175.10 174.62 3gua s THR 110 N -0.34 3.13 0.59 3.92 2.01 -0.26 -0.86 115.64 123.83 3gua s THR 110 Ca 0.07 -1.77 0.29 0.00 0.31 0.00 0.00 61.69 60.58 3gua s THR 110 Cb -0.12 -2.57 0.35 0.00 0.01 0.00 0.00 72.50 70.17 3gua s THR 110 CO 0.02 -0.17 2.20 1.12 -0.69 0.00 0.00 174.62 177.10 3gua h HIS 111 N 2.73 0.00 0.00 4.92 2.07 -1.53 0.28 115.15 123.61 3gua h HIS 111 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3gua h HIS 111 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3gua h HIS 111 CO 0.67 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.13 3gua n ASP 112 N -3.87 0.00 0.00 3.10 5.75 -1.26 -0.99 116.55 119.28 3gua n ASP 112 Ca -0.01 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 3gua n ASP 112 Cb 0.17 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 3gua n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gua n GLY 113 N 0.66 0.83 3.77 6.12 0.00 0.97 -4.64 105.19 112.89 3gua n GLY 113 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3gua n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gua s SER 114 N -2.25 7.14 -0.03 1.61 1.04 -1.20 -0.51 113.70 119.51 3gua s SER 114 Ca 0.00 1.36 0.02 0.00 0.48 0.00 0.00 55.95 57.81 3gua s SER 114 Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 3gua s SER 114 CO 0.00 0.12 -0.06 -0.69 0.98 0.00 0.00 173.24 173.59 3gua s VAL 115 N -0.46 3.76 -0.10 5.02 1.01 0.91 -1.10 120.40 129.44 3gua s VAL 115 Ca 0.34 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3gua s VAL 115 Cb -0.20 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3gua s VAL 115 CO 0.21 0.48 -0.10 -0.32 0.00 0.00 0.00 175.10 175.37 3gua s MET 116 N -1.17 1.68 -0.11 2.72 1.75 0.22 -2.68 119.30 121.71 3gua s MET 116 Ca 0.15 -0.35 -0.01 0.00 -1.25 0.00 0.00 55.69 54.23 3gua s MET 116 Cb -0.11 -1.56 0.03 0.00 2.84 0.00 0.00 34.83 36.03 3gua s MET 116 CO 0.05 -0.14 -0.04 0.12 -0.65 0.00 0.00 175.02 174.37 3gua s PHE 117 N 1.23 1.17 -0.54 4.11 5.36 -0.66 -0.99 117.98 127.66 3gua s PHE 117 Ca -0.04 -0.56 0.06 0.00 -0.96 0.00 0.00 56.93 55.43 3gua s PHE 117 Cb -0.14 -1.07 0.21 0.00 -0.34 0.00 0.00 43.02 41.68 3gua s PHE 117 CO -0.03 -0.46 0.53 -0.89 -1.46 0.00 0.00 175.22 172.91 3gua n ILE 118 N 5.02 0.58 -2.59 3.12 5.41 -1.26 -0.34 119.36 129.29 3gua n ILE 118 Ca -0.10 -4.41 -0.39 0.00 1.00 0.00 0.00 62.75 58.85 3gua n ILE 118 Cb 0.50 -1.98 -0.05 0.00 -0.71 0.00 0.00 39.64 37.40 3gua n ILE 118 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3gua s PRO 119 N -1.29 4.64 0.05 0.38 0.04 -1.20 -4.76 135.00 132.86 3gua s PRO 119 Ca 0.33 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 3gua s PRO 119 Cb 0.08 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.46 3gua s PRO 119 CO -0.12 0.27 0.75 0.00 0.04 0.00 0.00 177.00 177.94 3gua s ALA 120 N -1.27 3.39 0.05 8.56 0.00 -1.26 -1.43 121.76 129.80 3gua s ALA 120 Ca 0.46 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.70 3gua s ALA 120 Cb -0.28 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 3gua s ALA 120 CO 0.35 0.10 -0.07 -0.65 0.00 0.00 0.00 175.76 175.49 3gua s GLN 121 N -0.18 0.57 -0.19 0.00 -0.21 -0.29 0.45 119.66 119.81 3gua s GLN 121 Ca 0.38 -0.87 -0.05 0.00 0.02 0.00 0.00 55.36 54.83 3gua s GLN 121 Cb -0.21 -0.22 -0.03 0.00 1.00 0.00 0.00 33.01 33.56 3gua s GLN 121 CO 0.23 0.02 -0.00 0.50 -2.12 0.00 0.00 175.29 173.92 3gua s ARG 122 N -2.10 3.64 -0.08 2.91 3.52 -0.15 -1.76 118.95 124.93 3gua s ARG 122 Ca -0.06 -0.51 0.04 0.00 -0.13 0.00 0.00 55.73 55.07 3gua s ARG 122 Cb -0.06 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3gua s ARG 122 CO -0.01 0.05 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.14 3gua s LEU 123 N 0.90 1.99 -0.22 -0.88 2.96 0.16 -1.66 118.68 121.93 3gua s LEU 123 Ca 0.01 -0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 3gua s LEU 123 Cb -0.14 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 3gua s LEU 123 CO 0.02 0.15 0.10 -0.44 -1.32 0.00 0.00 176.35 174.86 3gua s SER 124 N 0.30 5.70 0.11 3.68 0.01 -1.26 -1.11 113.70 121.14 3gua s SER 124 Ca -0.15 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.13 3gua s SER 124 Cb -0.16 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 3gua s SER 124 CO 0.07 0.08 0.02 0.72 0.41 0.00 0.00 173.24 174.54 3gua s PHE 125 N 0.96 0.80 -0.06 2.43 -0.12 -0.64 -0.10 117.98 121.24 3gua s PHE 125 Ca 0.05 -1.16 -0.30 0.00 -0.05 0.00 0.00 56.93 55.48 3gua s PHE 125 Cb -0.14 -0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 41.73 3gua s PHE 125 CO 0.03 -0.44 1.59 -1.64 -0.05 0.00 0.00 175.22 174.71 3gua s MET 126 N -3.99 4.19 -0.29 1.99 -1.94 -0.70 -0.98 119.30 117.58 3gua s MET 126 Ca 0.19 2.11 -0.13 0.00 -1.71 0.00 0.00 55.69 56.15 3gua s MET 126 Cb 0.07 -3.93 0.13 0.00 2.01 0.00 0.00 34.83 33.11 3gua s MET 126 CO -0.02 -0.81 0.76 0.00 -0.01 0.00 0.00 175.02 174.95 3gua s ASP 128 N 2.29 6.46 -0.06 0.00 2.15 -1.26 -3.24 116.67 123.00 3gua s ASP 128 Ca -0.07 0.14 0.05 0.00 0.43 0.00 0.00 52.55 53.10 3gua s ASP 128 Cb -0.08 -2.36 0.26 0.00 -0.30 0.00 0.00 42.92 40.44 3gua s ASP 128 CO -0.18 -0.69 0.96 -0.81 -0.17 0.00 0.00 175.17 174.27 3gua n PRO 129 N 6.26 2.16 -1.68 4.34 -0.04 -1.26 -4.70 135.00 140.07 3gua n PRO 129 Ca 0.01 -1.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.01 3gua n PRO 129 Cb 0.48 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 3gua n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3gua n THR 130 N 0.21 0.01 -0.57 0.52 -1.04 -1.26 -1.82 114.28 110.33 3gua n THR 130 Ca 0.09 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3gua n THR 130 Cb 0.50 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 3gua n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gua n GLY 131 N 3.61 0.76 0.25 3.41 0.00 -1.26 -4.40 105.19 107.57 3gua n GLY 131 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 3gua n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gua h VAL 132 N 0.00 0.65 -0.00 1.61 3.04 -1.56 -1.17 116.25 118.82 3gua h VAL 132 Ca 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 3gua h VAL 132 Cb 0.00 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 3gua h VAL 132 CO 0.00 0.14 -0.00 -0.90 -1.01 0.00 0.00 177.57 175.80 3gua n ASP 133 N -3.70 0.02 -4.19 3.17 5.75 -1.26 -0.93 116.55 115.40 3gua n ASP 133 Ca -0.02 -0.83 -0.20 0.00 -0.01 0.00 0.00 54.79 53.73 3gua n ASP 133 Cb 0.26 -0.06 0.01 0.00 -1.03 0.00 0.00 41.12 40.30 3gua n ASP 133 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3gua n SER 134 N -1.04 2.29 0.02 -1.12 3.41 -0.45 -4.96 113.62 111.76 3gua n SER 134 Ca 0.22 -2.44 -0.18 0.00 -0.26 0.00 0.00 58.87 56.21 3gua n SER 134 Cb 0.14 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.92 3gua n SER 134 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3gua h GLU 135 N 0.00 0.51 0.00 4.33 4.81 -1.89 -3.24 114.58 119.10 3gua h GLU 135 Ca -0.26 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.41 3gua h GLU 135 Cb 0.98 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3gua h GLU 135 CO 0.41 1.18 0.00 1.05 -0.73 0.00 0.00 179.01 180.92 3gua h GLU 136 N 0.07 0.00 0.00 1.92 9.09 -1.97 -3.49 114.58 120.20 3gua h GLU 136 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 3gua h GLU 136 Cb 1.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.55 3gua h GLU 136 CO 0.15 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.62 3gua n GLY 137 N 0.62 -1.57 3.64 1.06 0.00 -1.16 -4.84 105.19 102.94 3gua n GLY 137 Ca 0.03 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 3gua n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gua s ALA 138 N -1.33 3.13 -0.06 4.61 0.00 0.25 -4.36 121.76 123.99 3gua s ALA 138 Ca 0.00 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.53 3gua s ALA 138 Cb 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 3gua s ALA 138 CO 0.00 0.42 -0.19 0.99 0.00 0.00 0.00 175.76 176.98 3gua s THR 139 N -1.89 1.59 0.07 0.00 2.01 -1.26 -1.21 115.64 114.95 3gua s THR 139 Ca 0.28 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.52 3gua s THR 139 Cb -0.08 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 3gua s THR 139 CO 0.18 0.45 -0.07 0.00 -0.69 0.00 0.00 174.62 174.49 3gua s ALA 141 N -2.68 0.17 -0.06 0.00 0.00 -1.26 -0.35 121.76 117.58 3gua s ALA 141 Ca 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 3gua s ALA 141 Cb -0.01 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.22 3gua s ALA 141 CO -0.03 -0.09 0.15 0.54 0.00 0.00 0.00 175.76 176.33 3gua s VAL 142 N -1.07 -0.02 -0.03 0.00 0.11 -0.31 -4.93 120.40 114.15 3gua s VAL 142 Ca -0.11 0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 58.87 3gua s VAL 142 Cb -0.07 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 3gua s VAL 142 CO -0.01 0.03 0.36 -0.54 -3.33 0.00 0.00 175.10 171.61 3gua s LYS 143 N 0.48 3.87 -0.08 1.54 1.02 -1.26 -0.73 119.74 124.59 3gua s LYS 143 Ca -0.03 0.30 0.03 0.00 0.02 0.00 0.00 55.97 56.29 3gua s LYS 143 Cb -0.05 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3gua s LYS 143 CO -0.02 0.66 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.85 3gua s PHE 144 N -0.90 2.69 0.15 3.18 0.08 0.11 -0.19 117.98 123.10 3gua s PHE 144 Ca 0.22 -0.41 -0.24 0.00 0.12 0.00 0.00 56.93 56.62 3gua s PHE 144 Cb -0.16 -1.70 0.08 0.00 -0.57 0.00 0.00 43.02 40.68 3gua s PHE 144 CO 0.11 -0.01 1.06 0.20 -0.10 0.00 0.00 175.22 176.48 3gua s GLY 145 N -0.28 -0.03 0.60 4.36 0.00 -0.40 -0.11 107.32 111.46 3gua s GLY 145 Ca 0.02 -0.11 -0.19 0.00 0.00 0.00 0.00 44.72 44.43 3gua s GLY 145 CO 0.03 1.86 1.26 -0.45 0.00 0.00 0.00 173.10 175.80 3gua s SER 146 N -3.29 5.06 -0.01 1.64 0.15 -1.26 -0.56 113.70 115.44 3gua s SER 146 Ca 0.19 2.52 -0.08 0.00 0.70 0.00 0.00 55.95 59.28 3gua s SER 146 Cb -0.01 -2.61 -0.30 0.00 -1.71 0.00 0.00 66.02 61.38 3gua s SER 146 CO 0.03 -1.69 0.83 -0.25 1.20 0.00 0.00 173.24 173.36 3gua h TRP 147 N 0.93 0.65 0.00 3.44 2.91 -1.85 -3.42 115.95 118.61 3gua h TRP 147 Ca -0.51 -0.48 0.00 0.00 1.13 0.00 0.00 58.89 59.04 3gua h TRP 147 Cb 1.31 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 3gua h TRP 147 CO 0.45 1.52 0.00 1.33 -1.03 0.00 0.00 178.44 180.71 3gua n VAL 148 N -3.56 0.00 -3.97 2.65 0.24 -1.26 -5.04 118.33 107.40 3gua n VAL 148 Ca -0.19 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.34 61.35 3gua n VAL 148 Cb 1.07 1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 34.40 3gua n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3gua s TYR 149 N -0.58 3.34 0.88 6.34 2.02 -1.26 -5.11 117.35 122.98 3gua s TYR 149 Ca 0.00 0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 56.78 3gua s TYR 149 Cb 0.00 -2.03 0.20 0.00 -0.40 0.00 0.00 41.96 39.73 3gua s TYR 149 CO 0.00 0.33 1.19 -1.13 -1.57 0.00 0.00 175.55 174.37 3gua n SER 150 N 3.08 0.16 0.26 2.29 3.41 -1.26 -4.70 113.62 116.86 3gua n SER 150 Ca -0.17 -1.47 0.12 0.00 -0.26 0.00 0.00 58.87 57.09 3gua n SER 150 Cb 0.53 -0.91 0.70 0.00 -0.26 0.00 0.00 64.21 64.27 3gua n SER 150 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3gua h GLY 151 N -1.53 0.00 2.00 5.00 0.00 -0.85 -0.65 103.07 107.04 3gua h GLY 151 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3gua h GLY 151 CO 0.28 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.56 3gua h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.93 -3.36 116.94 117.29 3gua h PHE 152 Ca -0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 3gua h PHE 152 Cb 0.36 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3gua h PHE 152 CO 0.00 0.00 -1.25 0.39 -0.60 0.00 0.00 178.31 176.85 3gua n GLU 153 N -2.64 0.31 -4.24 1.51 4.71 -0.83 -4.27 120.64 115.19 3gua n GLU 153 Ca 0.02 0.13 -0.33 0.00 -0.01 0.00 0.00 57.16 56.96 3gua n GLU 153 Cb 0.30 -1.03 -0.15 0.00 -1.01 0.00 0.00 31.44 29.55 3gua n GLU 153 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3gua s ILE 154 N -2.38 2.47 -0.10 -3.67 1.01 -0.31 -0.68 121.20 117.54 3gua s ILE 154 Ca -0.19 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.60 3gua s ILE 154 Cb 0.05 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3gua s ILE 154 CO 0.25 0.51 0.08 -0.62 0.00 0.00 0.00 174.94 175.17 3gua s ASP 155 N 1.16 5.89 0.09 3.58 2.15 0.41 -3.86 116.67 126.09 3gua s ASP 155 Ca 0.01 0.32 0.02 0.00 0.43 0.00 0.00 52.55 53.34 3gua s ASP 155 Cb -0.14 -1.81 -0.04 0.00 -0.30 0.00 0.00 42.92 40.63 3gua s ASP 155 CO -0.07 0.39 0.15 -0.76 -0.17 0.00 0.00 175.17 174.71 3gua s LEU 156 N -1.02 4.05 0.13 -1.34 1.43 -1.26 -0.35 118.68 120.32 3gua s LEU 156 Ca 0.15 0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 3gua s LEU 156 Cb -0.12 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.44 3gua s LEU 156 CO 0.04 0.15 0.35 -1.59 0.23 0.00 0.00 176.35 175.53 3gua s LYS 157 N -2.58 1.06 0.22 1.70 -2.85 -0.49 -4.92 119.74 111.87 3gua s LYS 157 Ca 0.32 -0.84 0.11 0.00 -1.00 0.00 0.00 55.97 54.55 3gua s LYS 157 Cb -0.12 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 3gua s LYS 157 CO 0.25 -0.40 -0.16 0.95 0.10 0.00 0.00 175.35 176.09 3gua s THR 158 N -3.84 2.74 -0.07 3.79 -4.23 -1.26 -0.67 115.64 112.10 3gua s THR 158 Ca 0.06 -1.99 0.13 0.00 -1.18 0.00 0.00 61.69 58.71 3gua s THR 158 Cb 0.02 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 3gua s THR 158 CO -0.09 -0.20 1.28 0.44 -0.54 0.00 0.00 174.62 175.51 3gua h ASP 159 N 2.78 0.00 -5.05 3.99 3.32 -1.97 -3.48 116.42 116.00 3gua h ASP 159 Ca -0.45 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 3gua h ASP 159 Cb 1.22 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.64 3gua h ASP 159 CO 0.54 0.67 0.01 0.28 -1.72 0.00 0.00 179.24 179.02 3gua s THR 160 N -2.87 0.05 -0.62 0.35 -1.32 -1.26 -5.04 115.64 104.92 3gua s THR 160 Ca 0.02 -0.39 0.25 0.00 -1.21 0.00 0.00 61.69 60.36 3gua s THR 160 Cb 0.08 -1.09 0.28 0.00 -1.51 0.00 0.00 72.50 70.27 3gua s THR 160 CO 0.78 -0.21 1.68 0.44 -2.21 0.00 0.00 174.62 175.10 3gua h ASP 161 N 2.36 0.00 -3.59 8.08 3.32 -1.93 -3.44 116.42 121.21 3gua h ASP 161 Ca -0.33 -0.01 -0.61 0.00 0.02 0.00 0.00 57.03 56.09 3gua h ASP 161 Cb 1.26 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.70 3gua h ASP 161 CO 0.44 0.01 0.46 -1.10 -1.72 0.00 0.00 179.24 177.33 3gua s GLN 162 N -3.14 3.61 0.22 3.56 -1.52 -1.26 -0.65 119.66 120.47 3gua s GLN 162 Ca 0.09 0.19 -0.32 0.00 -1.95 0.00 0.00 55.36 53.38 3gua s GLN 162 Cb 0.10 -3.88 -0.12 0.00 -0.22 0.00 0.00 33.01 28.89 3gua s GLN 162 CO 0.63 -1.05 1.71 0.28 -0.25 0.00 0.00 175.29 176.61 3gua n VAL 163 N 6.10 0.16 -2.12 1.09 0.31 -0.83 -4.88 118.33 118.16 3gua n VAL 163 Ca 0.04 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3gua n VAL 163 Cb 0.48 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.40 3gua n VAL 163 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gua s ASP 164 N 1.07 5.88 0.00 4.52 2.15 0.01 -4.86 116.67 125.44 3gua s ASP 164 Ca 0.73 0.91 0.22 0.00 0.43 0.00 0.00 52.55 54.84 3gua s ASP 164 Cb -0.50 -2.53 0.57 0.00 -0.30 0.00 0.00 42.92 40.16 3gua s ASP 164 CO 0.35 -1.79 1.48 0.18 -0.17 0.00 0.00 175.17 175.22 3gua n LEU 165 N 10.43 3.77 0.06 -1.34 4.77 -1.26 -2.18 117.00 131.25 3gua n LEU 165 Ca 0.20 -1.88 0.10 0.00 -0.03 0.00 0.00 56.01 54.40 3gua n LEU 165 Cb 0.48 -0.42 0.42 0.00 -2.33 0.00 0.00 43.42 41.58 3gua n LEU 165 CO 0.70 0.91 0.82 -1.54 -1.33 0.00 0.00 177.39 176.95 3gua n SER 166 N 1.53 0.34 -0.51 -1.43 3.41 -1.26 -2.11 113.62 113.59 3gua n SER 166 Ca 0.22 0.57 0.05 0.00 -0.26 0.00 0.00 58.87 59.45 3gua n SER 166 Cb 0.60 -0.65 0.11 0.00 -0.26 0.00 0.00 64.21 64.02 3gua n SER 166 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gua n SER 167 N -1.87 2.61 -4.72 4.04 7.64 -1.26 -5.02 113.62 115.05 3gua n SER 167 Ca 0.03 -1.90 -0.42 0.00 1.01 0.00 0.00 58.87 57.60 3gua n SER 167 Cb 0.24 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 3gua n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3gua s TYR 168 N -0.96 2.94 -0.26 1.43 5.04 -0.90 -4.65 117.35 119.98 3gua s TYR 168 Ca 0.18 0.48 -0.34 0.00 -2.44 0.00 0.00 57.07 54.94 3gua s TYR 168 Cb 0.10 -4.02 -0.11 0.00 0.35 0.00 0.00 41.96 38.28 3gua s TYR 168 CO 0.13 -3.85 2.08 0.98 -1.34 0.00 0.00 175.55 173.55 3gua n TYR 169 N 4.12 1.87 -0.24 4.97 9.36 0.11 -4.83 117.16 132.51 3gua n TYR 169 Ca 0.15 0.18 0.14 0.00 3.32 0.00 0.00 57.90 61.68 3gua n TYR 169 Cb 0.37 -2.59 0.43 0.00 -0.63 0.00 0.00 39.34 36.92 3gua n TYR 169 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3gua h ALA 170 N 11.53 1.95 -0.61 2.98 0.00 -1.90 -2.45 119.26 130.75 3gua h ALA 170 Ca -0.36 0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.20 3gua h ALA 170 Cb 1.30 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 3gua h ALA 170 CO 0.99 -0.19 0.09 0.43 0.00 0.00 0.00 179.25 180.57 3gua n SER 171 N -4.54 3.72 -4.74 0.00 7.64 -1.26 -5.03 113.62 109.40 3gua n SER 171 Ca 0.17 -3.76 -0.32 0.00 1.01 0.00 0.00 58.87 55.97 3gua n SER 171 Cb 0.52 -0.69 0.09 0.00 -1.01 0.00 0.00 64.21 63.12 3gua n SER 171 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3gua s SER 172 N -2.35 4.39 0.55 6.43 0.15 -0.93 -4.91 113.70 117.02 3gua s SER 172 Ca 0.51 2.06 0.30 0.00 0.70 0.00 0.00 55.95 59.52 3gua s SER 172 Cb 0.44 -2.55 1.58 0.00 -1.71 0.00 0.00 66.02 63.77 3gua s SER 172 CO 0.02 -2.12 2.11 0.11 1.20 0.00 0.00 173.24 174.56 3gua h LYS 173 N -0.67 0.00 -5.60 5.44 1.79 -1.91 -3.43 116.57 112.20 3gua h LYS 173 Ca -0.45 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.45 3gua h LYS 173 Cb 1.26 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.61 3gua h LYS 173 CO 0.50 0.09 -0.84 0.71 -1.08 0.00 0.00 179.45 178.83 3gua s TYR 174 N -4.19 1.66 0.10 -1.35 2.02 -1.26 -1.43 117.35 112.91 3gua s TYR 174 Ca -0.03 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3gua s TYR 174 Cb 0.13 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 3gua s TYR 174 CO 0.56 -0.08 0.14 -1.83 -1.57 0.00 0.00 175.55 172.77 3gua s GLU 175 N -0.27 3.06 -0.20 -0.62 -1.05 -0.32 -4.76 118.70 114.55 3gua s GLU 175 Ca 0.03 -0.66 -0.20 0.00 -0.15 0.00 0.00 54.97 53.99 3gua s GLU 175 Cb -0.09 -2.80 -0.03 0.00 -0.44 0.00 0.00 34.13 30.77 3gua s GLU 175 CO 0.00 0.55 0.59 0.42 0.95 0.00 0.00 175.26 177.78 3gua s ILE 176 N -1.52 5.05 -0.07 1.83 -1.09 -1.26 -2.30 121.20 121.84 3gua s ILE 176 Ca 0.31 1.11 -0.03 0.00 -2.23 0.00 0.00 60.65 59.82 3gua s ILE 176 Cb -0.12 -3.91 -0.27 0.00 -1.58 0.00 0.00 42.46 36.58 3gua s ILE 176 CO 0.24 0.13 0.58 -0.07 -1.23 0.00 0.00 174.94 174.60 3gua h LEU 177 N 8.09 0.36 -7.00 2.97 3.38 -0.44 -3.48 115.31 119.19 3gua h LEU 177 Ca -0.32 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 56.96 3gua h LEU 177 Cb 1.15 -0.12 -0.18 0.00 0.09 0.00 0.00 40.66 41.60 3gua h LEU 177 CO 0.76 1.59 0.29 -0.94 0.09 0.00 0.00 178.44 180.24 3gua s SER 178 N -6.88 -0.56 -0.12 -0.43 1.04 -1.11 -4.98 113.70 100.66 3gua s SER 178 Ca -0.15 0.47 -0.04 0.00 0.48 0.00 0.00 55.95 56.71 3gua s SER 178 Cb 0.07 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.74 3gua s SER 178 CO 0.81 -0.62 0.21 0.00 0.98 0.00 0.00 173.24 174.62 3gua s ALA 179 N -1.78 -0.32 0.20 5.32 0.00 -1.26 -0.51 121.76 123.42 3gua s ALA 179 Ca -0.06 0.64 0.10 0.00 0.00 0.00 0.00 51.96 52.65 3gua s ALA 179 Cb -0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 3gua s ALA 179 CO 0.03 -0.69 -0.21 0.95 0.00 0.00 0.00 175.76 175.83 3gua s THR 180 N 2.34 2.19 -0.13 0.00 -4.23 -0.16 -1.96 115.64 113.69 3gua s THR 180 Ca 0.03 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3gua s THR 180 Cb -0.13 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.68 3gua s THR 180 CO -0.08 -0.25 -0.03 0.00 -0.54 0.00 0.00 174.62 173.72 3gua s GLN 181 N -2.91 1.09 -0.05 3.99 -2.07 0.17 -0.90 119.66 118.98 3gua s GLN 181 Ca 0.21 -0.25 0.03 0.00 -1.82 0.00 0.00 55.36 53.54 3gua s GLN 181 Cb -0.06 -1.60 0.00 0.00 -1.09 0.00 0.00 33.01 30.26 3gua s GLN 181 CO 0.10 -0.38 -0.15 0.99 -1.32 0.00 0.00 175.29 174.53 3gua s THR 182 N 1.79 1.28 0.20 3.63 2.01 -0.50 -4.28 115.64 119.76 3gua s THR 182 Ca 0.03 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 3gua s THR 182 Cb -0.14 -1.12 -0.08 0.00 0.01 0.00 0.00 72.50 71.17 3gua s THR 182 CO -0.07 0.38 1.02 -0.60 -0.69 0.00 0.00 174.62 174.66 3gua s ARG 183 N 0.27 4.70 0.01 4.92 3.52 -1.26 -0.08 118.95 131.03 3gua s ARG 183 Ca -0.08 1.61 0.04 0.00 -0.13 0.00 0.00 55.73 57.17 3gua s ARG 183 Cb -0.13 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 3gua s ARG 183 CO 0.03 0.26 -0.13 -0.65 -0.81 0.00 0.00 175.30 173.99 3gua s GLN 184 N -0.69 1.03 -0.23 5.12 -0.21 0.11 -4.93 119.66 119.85 3gua s GLN 184 Ca 0.46 -0.56 -0.00 0.00 0.02 0.00 0.00 55.36 55.27 3gua s GLN 184 Cb -0.27 -1.01 0.03 0.00 1.00 0.00 0.00 33.01 32.76 3gua s GLN 184 CO 0.34 0.27 -0.10 0.08 -2.12 0.00 0.00 175.29 173.75 3gua s VAL 185 N -0.48 2.57 0.46 1.09 1.01 -1.26 -1.73 120.40 122.05 3gua s VAL 185 Ca 0.04 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 61.02 3gua s VAL 185 Cb -0.06 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.07 3gua s VAL 185 CO 0.00 0.26 0.62 -1.10 0.00 0.00 0.00 175.10 174.88 3gua s GLN 186 N 1.28 2.70 0.07 2.72 -1.52 0.47 -4.95 119.66 120.45 3gua s GLN 186 Ca 0.00 -1.34 -0.06 0.00 -1.95 0.00 0.00 55.36 52.01 3gua s GLN 186 Cb -0.16 -2.73 -0.02 0.00 -0.22 0.00 0.00 33.01 29.88 3gua s GLN 186 CO -0.07 -0.41 0.10 -1.01 -0.25 0.00 0.00 175.29 173.66 3gua s HIS 187 N -2.43 0.28 -0.13 0.91 3.76 -1.26 -2.73 115.29 113.70 3gua s HIS 187 Ca 0.57 -0.75 -0.05 0.00 -0.15 0.00 0.00 55.06 54.67 3gua s HIS 187 Cb -0.09 -0.18 0.06 0.00 1.11 0.00 0.00 32.58 33.48 3gua s HIS 187 CO 0.34 -0.47 0.28 0.71 -0.85 0.00 0.00 174.74 174.75 3gua s TYR 188 N -3.78 -0.44 -2.00 1.40 1.51 -1.26 -5.03 117.35 107.74 3gua s TYR 188 Ca 0.05 0.98 0.10 0.00 -1.01 0.00 0.00 57.07 57.19 3gua s TYR 188 Cb 0.06 0.02 0.57 0.00 -0.11 0.00 0.00 41.96 42.49 3gua s TYR 188 CO -0.10 -0.33 1.10 -1.13 -1.11 0.00 0.00 175.55 173.97 3gua n SER 189 N 5.04 0.00 0.15 2.29 3.41 -1.26 -1.35 113.62 121.90 3gua n SER 189 Ca -0.12 -1.00 0.13 0.00 -0.26 0.00 0.00 58.87 57.62 3gua n SER 189 Cb 0.51 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.97 3gua n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gua h PRO 192 N 3.79 0.00 -6.81 0.00 0.13 -1.93 -3.39 132.00 123.79 3gua h PRO 192 Ca -0.26 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.32 3gua h PRO 192 Cb 1.16 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.39 3gua h PRO 192 CO 0.20 0.83 0.74 0.39 -0.23 0.00 0.00 178.00 179.93 3gua n GLU 193 N -3.55 2.51 -2.67 0.86 4.71 -1.26 -4.94 120.64 116.30 3gua n GLU 193 Ca -0.00 0.89 -0.39 0.00 -0.01 0.00 0.00 57.16 57.64 3gua n GLU 193 Cb 0.79 -2.60 -0.05 0.00 -1.01 0.00 0.00 31.44 28.57 3gua n GLU 193 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3gua s PRO 194 N -1.29 4.65 -0.14 3.49 0.04 -1.26 -4.62 135.00 135.86 3gua s PRO 194 Ca 0.59 1.52 0.02 0.00 0.04 0.00 0.00 61.00 63.17 3gua s PRO 194 Cb -0.52 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 30.99 3gua s PRO 194 CO 0.56 0.30 -0.20 0.71 0.04 0.00 0.00 177.00 178.41 3gua s TYR 195 N -1.36 2.69 -0.02 0.56 2.02 -1.10 -0.43 117.35 119.71 3gua s TYR 195 Ca 0.46 -1.23 0.02 0.00 -0.37 0.00 0.00 57.07 55.95 3gua s TYR 195 Cb -0.25 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 3gua s TYR 195 CO 0.31 -0.55 -0.04 0.42 -1.57 0.00 0.00 175.55 174.12 3gua s ILE 196 N 0.76 3.89 0.11 2.71 -1.09 -1.26 -0.39 121.20 125.92 3gua s ILE 196 Ca -0.08 -0.61 -0.12 0.00 -2.23 0.00 0.00 60.65 57.62 3gua s ILE 196 Cb -0.16 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.05 3gua s ILE 196 CO -0.00 0.45 0.28 1.51 -1.23 0.00 0.00 174.94 175.94 3gua s ASP 197 N -1.29 -0.02 -0.19 3.58 1.47 -0.71 -4.43 116.67 115.08 3gua s ASP 197 Ca 0.17 -0.53 -0.05 0.00 1.18 0.00 0.00 52.55 53.32 3gua s ASP 197 Cb -0.11 0.40 -0.03 0.00 -0.34 0.00 0.00 42.92 42.84 3gua s ASP 197 CO 0.07 -0.79 0.01 -0.69 0.68 0.00 0.00 175.17 174.45 3gua s VAL 198 N -3.84 4.11 -0.40 2.11 1.01 0.85 0.06 120.40 124.29 3gua s VAL 198 Ca 0.05 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 3gua s VAL 198 Cb 0.04 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.59 3gua s VAL 198 CO -0.11 0.44 0.27 0.21 0.00 0.00 0.00 175.10 175.91 3gua s ASN 199 N 0.77 5.99 -0.30 3.32 2.47 0.89 0.07 114.94 128.14 3gua s ASN 199 Ca 0.01 -0.93 -0.21 0.00 0.42 0.00 0.00 52.86 52.15 3gua s ASN 199 Cb -0.14 -2.12 -0.01 0.00 -1.45 0.00 0.00 41.25 37.53 3gua s ASN 199 CO 0.02 -0.43 0.64 -0.22 -3.72 0.00 0.00 177.10 173.39 3gua s LEU 200 N 1.64 4.14 -0.17 3.21 2.96 0.09 -1.41 118.68 129.14 3gua s LEU 200 Ca 0.04 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3gua s LEU 200 Cb -0.19 -2.84 0.02 0.00 0.50 0.00 0.00 46.19 43.68 3gua s LEU 200 CO 0.09 -0.48 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.77 3gua s VAL 201 N 2.63 1.84 -0.10 1.68 1.01 -0.08 -1.16 120.40 126.22 3gua s VAL 201 Ca 0.26 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3gua s VAL 201 Cb -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 3gua s VAL 201 CO 0.12 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 174.81 3gua s VAL 202 N 1.38 2.39 -0.21 2.92 1.01 0.52 -0.99 120.40 127.41 3gua s VAL 202 Ca 0.05 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 3gua s VAL 202 Cb -0.13 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3gua s VAL 202 CO -0.12 0.55 0.03 -0.54 0.00 0.00 0.00 175.10 175.03 3gua s LYS 203 N 0.20 3.68 0.08 2.72 1.02 0.33 -0.73 119.74 127.05 3gua s LYS 203 Ca -0.13 -0.48 -0.04 0.00 0.02 0.00 0.00 55.97 55.34 3gua s LYS 203 Cb -0.16 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 3gua s LYS 203 CO 0.07 -0.02 0.08 -0.59 -0.92 0.00 0.00 175.35 173.97 3gua s PHE 204 N 1.13 0.43 0.18 3.18 -0.12 -0.35 0.38 117.98 122.81 3gua s PHE 204 Ca 0.03 -0.90 -0.12 0.00 -0.05 0.00 0.00 56.93 55.89 3gua s PHE 204 Cb -0.14 -0.26 0.00 0.00 -0.63 0.00 0.00 43.02 41.99 3gua s PHE 204 CO 0.02 -0.48 0.38 -0.98 -0.05 0.00 0.00 175.22 174.11 3gua s ARG 205 N -3.92 1.26 0.47 1.99 1.70 -0.97 -0.59 118.95 118.89 3gua s ARG 205 Ca 0.10 -1.07 -0.24 0.00 -0.47 0.00 0.00 55.73 54.05 3gua s ARG 205 Cb 0.06 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.81 3gua s ARG 205 CO -0.08 -0.50 1.27 -1.21 -1.08 0.00 0.00 175.30 173.70 3gua s GLU 206 N -3.94 3.66 0.00 3.89 2.02 -0.11 -1.18 118.70 123.04 3gua s GLU 206 Ca 0.15 2.03 0.00 0.00 0.02 0.00 0.00 54.97 57.17 3gua s GLU 206 Cb 0.01 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.76 3gua s GLU 206 CO -0.00 -0.71 0.33 -2.13 0.02 0.00 0.00 175.26 172.76