#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 0.49 -0.33 2.11 -1.99 -2.05 -2.79 116.97 112.41 3gua h TYR -7 Ca 0.00 -0.19 -0.07 0.00 2.00 0.00 0.00 58.73 60.47 3gua h TYR -7 Cb 0.00 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 3gua h TYR -7 CO 0.00 0.90 -0.06 -0.22 -0.00 0.00 0.00 178.16 178.79 3gua h LYS -6 N 0.28 0.62 -0.00 4.88 3.64 -2.05 0.13 116.57 124.07 3gua h LYS -6 Ca -0.01 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3gua h LYS -6 Cb 1.16 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3gua h LYS -6 CO 0.11 0.78 -0.02 -0.40 -2.27 0.00 0.00 179.45 177.65 3gua n ASP -5 N -4.46 0.43 0.06 4.20 3.85 -1.25 0.03 116.55 119.42 3gua n ASP -5 Ca -0.02 -0.94 -0.20 0.00 -0.71 0.00 0.00 54.79 52.91 3gua n ASP -5 Cb 0.31 -0.04 -0.15 0.00 -1.35 0.00 0.00 41.12 39.90 3gua n ASP -5 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3gua h ASP -4 N 0.64 0.50 0.37 -1.12 3.32 -1.21 -3.22 116.42 115.70 3gua h ASP -4 Ca 0.00 -0.77 -0.19 0.00 0.02 0.00 0.00 57.03 56.09 3gua h ASP -4 Cb 0.21 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3gua h ASP -4 CO 0.00 1.65 -0.78 -0.78 -1.72 0.00 0.00 179.24 177.61 3gua h ASP -3 N 0.09 0.40 -0.60 6.45 3.58 -0.50 -2.57 116.42 123.28 3gua h ASP -3 Ca -0.32 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 56.77 3gua h ASP -3 Cb 2.06 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.97 3gua h ASP -3 CO 0.16 1.04 0.07 0.44 -2.88 0.00 0.00 179.24 178.07 3gua h ASP -2 N 0.21 0.97 -0.45 2.28 3.45 -0.55 0.25 116.42 122.59 3gua h ASP -2 Ca -0.04 -0.28 -0.13 0.00 0.43 0.00 0.00 57.03 57.02 3gua h ASP -2 Cb 1.37 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 3gua h ASP -2 CO 0.13 1.00 -0.22 0.11 -1.57 0.00 0.00 179.24 178.69 3gua h LYS -1 N 0.91 0.95 -0.60 3.56 1.57 -1.61 -1.66 116.57 119.69 3gua h LYS -1 Ca 0.18 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3gua h LYS -1 Cb 0.46 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 3gua h LYS -1 CO 0.02 1.08 0.35 -0.07 -0.57 0.00 0.00 179.45 180.26 3gua h LEU 0 N 0.79 0.57 -0.07 2.94 3.38 -1.29 -0.95 115.31 120.68 3gua h LEU 0 Ca 0.10 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3gua h LEU 0 Cb 0.80 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3gua h LEU 0 CO 0.07 0.39 -0.08 -0.74 0.09 0.00 0.00 178.44 178.17 3gua h HIS 1 N 0.69 -0.19 -0.18 1.13 2.76 -0.31 -0.16 115.15 118.88 3gua h HIS 1 Ca 0.25 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.40 3gua h HIS 1 Cb 0.06 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 3gua h HIS 1 CO -0.06 -0.12 -0.02 0.66 -1.30 0.00 0.00 177.93 177.08 3gua h SER 2 N -0.10 0.24 -0.16 3.26 4.64 -1.08 -0.82 113.55 119.52 3gua h SER 2 Ca 0.05 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 3gua h SER 2 Cb 0.18 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3gua h SER 2 CO -0.13 0.31 -0.17 1.56 -0.87 0.00 0.00 176.83 177.53 3gua h GLN 3 N 0.26 0.40 -0.72 4.77 4.20 -0.75 -2.92 115.11 120.35 3gua h GLN 3 Ca 0.06 -0.21 0.08 0.00 0.06 0.00 0.00 58.65 58.64 3gua h GLN 3 Cb 0.22 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 3gua h GLN 3 CO 0.01 0.78 0.38 0.00 -0.67 0.00 0.00 178.83 179.33 3gua h ALA 4 N 0.62 0.98 -0.92 3.87 0.00 -0.48 -0.58 119.26 122.75 3gua h ALA 4 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gua h ALA 4 Cb 0.71 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3gua h ALA 4 CO 0.04 0.02 0.58 -0.91 0.00 0.00 0.00 179.25 178.98 3gua h ASN 5 N 0.67 1.09 -0.22 0.00 2.35 -1.14 0.42 115.58 118.75 3gua h ASN 5 Ca 0.34 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 3gua h ASN 5 Cb 0.29 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 3gua h ASN 5 CO -0.23 0.82 -0.20 0.25 -1.65 0.00 0.00 177.43 176.41 3gua h LEU 6 N 1.26 0.56 -0.38 1.61 5.85 -1.24 -1.79 115.31 121.18 3gua h LEU 6 Ca 0.33 -0.47 0.08 0.00 0.84 0.00 0.00 57.88 58.67 3gua h LEU 6 Cb -0.09 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 3gua h LEU 6 CO -0.07 0.91 -0.20 -0.03 -0.34 0.00 0.00 178.44 178.72 3gua h MET 7 N 0.22 -0.13 -0.46 1.25 4.05 -0.86 -0.11 114.93 118.90 3gua h MET 7 Ca 0.04 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 3gua h MET 7 Cb 0.75 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.53 3gua h MET 7 CO 0.05 -0.09 0.19 -0.09 0.23 0.00 0.00 176.91 177.21 3gua h ARG 8 N -0.14 0.38 0.09 0.39 2.43 -0.83 0.09 114.38 116.79 3gua h ARG 8 Ca 0.19 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3gua h ARG 8 Cb 0.43 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3gua h ARG 8 CO -0.47 0.25 -0.04 1.25 -1.51 0.00 0.00 179.97 179.45 3gua h LEU 9 N 0.39 -0.10 -0.17 3.80 5.85 -0.64 0.90 115.31 125.33 3gua h LEU 9 Ca 0.21 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3gua h LEU 9 Cb 0.16 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3gua h LEU 9 CO -0.18 0.05 0.11 0.11 -0.34 0.00 0.00 178.44 178.19 3gua h LYS 10 N -0.24 0.23 -0.91 1.25 1.57 -0.89 0.14 116.57 117.72 3gua h LYS 10 Ca -0.01 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3gua h LYS 10 Cb 0.20 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 3gua h LYS 10 CO 0.02 0.17 0.59 1.03 -0.57 0.00 0.00 179.45 180.69 3gua h SER 11 N 0.22 1.00 -0.15 0.86 0.87 -0.84 0.14 113.55 115.65 3gua h SER 11 Ca 0.06 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3gua h SER 11 Cb -0.01 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3gua h SER 11 CO -0.01 0.69 0.03 0.44 -0.53 0.00 0.00 176.83 177.45 3gua h ASP 12 N 1.16 0.23 -0.59 6.23 3.32 -0.47 -2.20 116.42 124.10 3gua h ASP 12 Ca 0.36 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 3gua h ASP 12 Cb -0.02 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3gua h ASP 12 CO -0.11 0.42 0.12 -0.07 -1.72 0.00 0.00 179.24 177.87 3gua h LEU 13 N 0.03 0.95 -0.02 1.55 3.38 -0.17 -2.28 115.31 118.75 3gua h LEU 13 Ca 0.05 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3gua h LEU 13 Cb 0.28 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3gua h LEU 13 CO 0.00 0.94 -0.25 0.15 0.09 0.00 0.00 178.44 179.37 3gua h PHE 14 N 0.95 0.29 0.00 1.13 -0.00 -0.78 -3.27 116.94 115.25 3gua h PHE 14 Ca 0.19 -0.14 0.00 0.00 -0.00 0.00 0.00 57.97 58.02 3gua h PHE 14 Cb 0.39 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.30 3gua h PHE 14 CO 0.03 0.91 0.00 0.09 -0.00 0.00 0.00 178.31 179.34 3gua n ASN 15 N -4.51 0.00 -4.75 0.41 3.02 -0.83 -4.87 115.26 103.73 3gua n ASN 15 Ca -0.09 -0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 53.80 3gua n ASN 15 Cb 0.49 -0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 3gua n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gua s ARG 16 N -2.34 4.18 1.00 3.52 1.70 -0.86 -4.94 118.95 121.21 3gua s ARG 16 Ca 0.23 2.46 -0.12 0.00 -0.47 0.00 0.00 55.73 57.83 3gua s ARG 16 Cb 0.13 -3.05 0.19 0.00 -0.57 0.00 0.00 34.95 31.65 3gua s ARG 16 CO 0.26 -0.54 1.08 0.45 -1.08 0.00 0.00 175.30 175.48 3gua s SER 17 N 0.39 2.52 -0.08 -2.89 0.15 -1.26 -2.55 113.70 109.98 3gua s SER 17 Ca 0.61 1.35 -0.01 0.00 0.70 0.00 0.00 55.95 58.60 3gua s SER 17 Cb -0.45 -2.04 0.01 0.00 -1.71 0.00 0.00 66.02 61.83 3gua s SER 17 CO 0.47 -3.22 0.03 -2.65 1.20 0.00 0.00 173.24 169.07 3gua n PRO 18 N -4.25 -1.30 0.00 5.44 -0.02 -1.26 -4.82 135.00 128.80 3gua n PRO 18 Ca 0.05 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3gua n PRO 18 Cb 0.56 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 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 -0.65 0.00 0.00 -0.52 0.00 -1.06 -4.20 117.12 110.70 3gua n MET 19 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 3gua n MET 19 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.32 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 -0.93 3.17 4.19 -1.26 -4.93 117.16 117.41 3gua n TYR 20 Ca 0.00 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.16 3gua n TYR 20 Cb 0.00 0.00 0.31 0.00 0.49 0.00 0.00 39.34 40.14 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 3.77 0.00 2.98 -0.04 -1.26 -5.00 135.00 135.45 3gua n PRO 21 Ca 0.00 -2.95 0.00 0.00 -0.04 0.00 0.00 63.50 60.51 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 -0.04 -0.46 3.74 0.55 0.00 -1.26 -4.97 105.19 102.74 3gua n GLY 22 Ca 0.38 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.17 2.77 0.30 1.61 0.04 -1.26 -5.04 135.00 130.24 3gua s PRO 23 Ca 0.00 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.10 3gua s PRO 23 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3gua s PRO 23 CO 0.00 -1.42 0.16 0.95 0.04 0.00 0.00 177.00 176.73 3gua s THR 24 N -1.43 0.29 0.20 1.26 -4.23 -1.13 -4.98 115.64 105.62 3gua s THR 24 Ca 0.79 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.19 3gua s THR 24 Cb -0.36 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.08 3gua s THR 24 CO 0.39 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 176.37 3gua h LYS 25 N 2.24 0.53 0.00 3.99 1.57 -1.92 -2.01 116.57 120.97 3gua h LYS 25 Ca -0.33 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 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 0.51 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 179.49 3gua n ASP 26 N -4.87 0.00 -3.00 0.86 8.00 -1.26 -4.03 116.55 112.24 3gua n ASP 26 Ca 0.07 0.20 -0.15 0.00 0.71 0.00 0.00 54.79 55.62 3gua n ASP 26 Cb 0.18 -0.38 0.01 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.38 0.23 -4.38 -2.24 2.03 -0.82 -5.14 116.55 104.85 3gua n ASP 27 Ca 0.09 -3.07 -0.29 0.00 0.52 0.00 0.00 54.79 52.04 3gua n ASP 27 Cb 0.22 -0.07 0.18 0.00 -0.72 0.00 0.00 41.12 40.73 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 -1.93 0.21 0.01 -0.67 0.04 -0.83 -2.83 135.00 129.00 3gua s PRO 28 Ca 0.34 0.11 -0.05 0.00 0.04 0.00 0.00 61.00 61.44 3gua s PRO 28 Cb 0.36 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 33.14 3gua s PRO 28 CO -0.06 -2.79 0.09 -1.17 0.04 0.00 0.00 177.00 173.11 3gua s LEU 29 N -6.37 1.77 -0.17 -3.56 2.96 -0.04 -4.92 118.68 108.36 3gua s LEU 29 Ca 0.68 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3gua s LEU 29 Cb -0.12 0.52 0.01 0.00 0.50 0.00 0.00 46.19 47.09 3gua s LEU 29 CO 0.55 -0.38 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.13 3gua s THR 30 N -1.61 2.24 -0.21 3.68 2.01 -1.26 -0.70 115.64 119.79 3gua s THR 30 Ca -0.13 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.89 3gua s THR 30 Cb -0.07 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 3gua s THR 30 CO -0.00 0.53 0.10 -0.69 -0.69 0.00 0.00 174.62 173.87 3gua s VAL 31 N 1.12 4.97 -0.21 3.82 1.01 0.58 -4.40 120.40 127.29 3gua s VAL 31 Ca 0.01 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 3gua s VAL 31 Cb -0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3gua s VAL 31 CO -0.08 0.41 0.31 -0.89 0.00 0.00 0.00 175.10 174.86 3gua s THR 32 N 0.69 5.27 -0.06 3.92 2.01 0.27 -1.52 115.64 126.22 3gua s THR 32 Ca 0.05 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.58 3gua s THR 32 Cb -0.13 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 3gua s THR 32 CO 0.02 0.30 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.44 3gua s LEU 33 N 1.09 3.28 -0.01 4.42 1.43 0.54 -2.06 118.68 127.38 3gua s LEU 33 Ca 0.15 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 3gua s LEU 33 Cb -0.14 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3gua s LEU 33 CO 0.06 0.35 0.10 -0.83 0.23 0.00 0.00 176.35 176.27 3gua s GLY 34 N -0.93 0.04 -0.13 -3.19 0.00 -0.93 -4.21 107.32 97.98 3gua s GLY 34 Ca 0.13 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.81 3gua s GLY 34 CO 0.03 -0.17 -0.20 -1.36 0.00 0.00 0.00 173.10 171.40 3gua s PHE 35 N -0.96 2.67 -0.34 1.90 0.08 -1.26 -1.01 117.98 119.06 3gua s PHE 35 Ca -0.10 -1.06 -0.11 0.00 0.12 0.00 0.00 56.93 55.78 3gua s PHE 35 Cb -0.06 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 3gua s PHE 35 CO 0.01 -0.45 0.19 0.99 -0.10 0.00 0.00 175.22 175.86 3gua s THR 36 N 0.56 4.70 -0.24 0.64 2.01 -0.49 -1.05 115.64 121.77 3gua s THR 36 Ca -0.12 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.13 3gua s THR 36 Cb -0.16 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3gua s THR 36 CO 0.04 -0.07 0.54 -0.22 -0.69 0.00 0.00 174.62 174.22 3gua s LEU 37 N 1.61 4.08 -0.24 4.42 2.96 -0.92 -0.30 118.68 130.29 3gua s LEU 37 Ca 0.04 0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 54.40 3gua s LEU 37 Cb -0.18 -2.72 -0.16 0.00 0.50 0.00 0.00 46.19 43.63 3gua s LEU 37 CO 0.07 -0.27 -0.09 0.00 -1.32 0.00 0.00 176.35 174.74 3gua n GLN 38 N 5.36 0.59 -3.68 1.98 6.02 0.05 -3.31 117.38 124.39 3gua n GLN 38 Ca -0.03 0.38 -0.14 0.00 -0.01 0.00 0.00 57.00 57.19 3gua n GLN 38 Cb 0.50 -1.60 -0.09 0.00 1.02 0.00 0.00 30.24 30.07 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 -7.17 -0.57 -0.45 1.08 2.15 -0.95 0.43 116.67 111.20 3gua s ASP 39 Ca -0.34 1.07 -0.18 0.00 0.43 0.00 0.00 52.55 53.53 3gua s ASP 39 Cb 0.11 1.09 0.04 0.00 -0.30 0.00 0.00 42.92 43.85 3gua s ASP 39 CO 0.55 -0.22 0.52 -0.63 -0.17 0.00 0.00 175.17 175.23 3gua s ILE 40 N 0.19 5.00 -0.04 4.11 1.01 -1.26 -1.12 121.20 129.09 3gua s ILE 40 Ca -0.01 -0.39 -0.19 0.00 0.00 0.00 0.00 60.65 60.06 3gua s ILE 40 Cb -0.04 -4.15 -0.31 0.00 0.01 0.00 0.00 42.46 37.97 3gua s ILE 40 CO 0.01 -0.58 0.83 0.58 0.00 0.00 0.00 174.94 175.78 3gua h VAL 41 N 5.79 1.33 -3.02 2.92 2.07 -1.52 -3.41 116.25 120.42 3gua h VAL 41 Ca -0.27 -2.54 -0.16 0.00 0.82 0.00 0.00 66.70 64.55 3gua h VAL 41 Cb 1.10 3.04 -0.26 0.00 -1.52 0.00 0.00 31.29 33.65 3gua h VAL 41 CO 0.87 0.74 -0.40 -0.75 0.02 0.00 0.00 177.57 178.05 3gua s LYS 42 N -2.48 0.31 -0.34 1.57 2.20 -1.24 -4.91 119.74 114.85 3gua s LYS 42 Ca -0.14 0.45 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 3gua s LYS 42 Cb 0.02 0.09 0.10 0.00 -1.51 0.00 0.00 37.83 36.54 3gua s LYS 42 CO 0.84 -0.07 0.09 0.00 -0.36 0.00 0.00 175.35 175.85 3gua s ALA 43 N 0.47 2.28 -0.52 3.13 0.00 -1.26 -0.93 121.76 124.92 3gua s ALA 43 Ca -0.03 -2.20 -0.24 0.00 0.00 0.00 0.00 51.96 49.49 3gua s ALA 43 Cb -0.04 -1.82 0.04 0.00 0.00 0.00 0.00 23.12 21.29 3gua s ALA 43 CO -0.02 -1.72 0.91 0.34 0.00 0.00 0.00 175.76 175.26 3gua s ASP 44 N 1.12 6.37 0.05 0.00 -1.08 0.28 -4.89 116.67 118.52 3gua s ASP 44 Ca 0.11 -0.28 0.27 0.00 -0.52 0.00 0.00 52.55 52.14 3gua s ASP 44 Cb -0.19 -2.43 0.93 0.00 -1.46 0.00 0.00 42.92 39.78 3gua s ASP 44 CO -0.15 -1.15 1.74 -1.54 0.52 0.00 0.00 175.17 174.60 3gua n SER 45 N 7.28 0.31 0.03 -0.34 3.41 -1.26 -0.93 113.62 122.12 3gua n SER 45 Ca 0.02 0.33 0.12 0.00 -0.26 0.00 0.00 58.87 59.09 3gua n SER 45 Cb 0.48 -0.35 0.30 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.70 0.52 0.00 4.04 3.41 -1.26 -4.11 113.62 114.52 3gua n SER 46 Ca 0.06 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3gua n SER 46 Cb 0.36 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.81 0.00 -3.81 6.66 -2.24 -1.19 -5.04 114.28 106.85 3gua n THR 47 Ca 0.05 -0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 3gua n THR 47 Cb 0.39 1.37 0.01 0.00 -2.10 0.00 0.00 70.33 70.00 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 -0.09 -2.23 -4.26 3.42 3.02 -0.11 -4.93 115.26 110.09 3gua n ASN 48 Ca 0.00 -0.98 -0.31 0.00 -0.03 0.00 0.00 54.58 53.26 3gua n ASN 48 Cb 0.09 -3.34 -0.16 0.00 -0.61 0.00 0.00 39.78 35.76 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 -6.25 2.39 0.01 3.52 2.02 -1.01 -1.54 118.70 117.83 3gua s GLU 49 Ca 0.17 -0.88 0.07 0.00 0.02 0.00 0.00 54.97 54.34 3gua s GLU 49 Cb -0.06 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 3gua s GLU 49 CO 0.87 0.40 -0.20 0.08 0.02 0.00 0.00 175.26 176.43 3gua s VAL 50 N -0.24 1.62 -0.26 2.63 1.01 -0.40 -0.56 120.40 124.20 3gua s VAL 50 Ca -0.01 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 3gua s VAL 50 Cb -0.13 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.89 3gua s VAL 50 CO 0.03 0.36 0.03 -1.81 0.00 0.00 0.00 175.10 173.70 3gua s ASP 51 N -0.73 4.79 0.06 3.32 1.11 -0.11 -1.55 116.67 123.56 3gua s ASP 51 Ca 0.08 -0.60 0.05 0.00 0.18 0.00 0.00 52.55 52.25 3gua s ASP 51 Cb -0.08 -1.81 -0.04 0.00 1.07 0.00 0.00 42.92 42.06 3gua s ASP 51 CO 0.00 -0.12 -0.07 -0.76 1.18 0.00 0.00 175.17 175.40 3gua s LEU 52 N 1.48 3.15 -0.14 1.23 1.43 -0.42 -1.18 118.68 124.21 3gua s LEU 52 Ca 0.03 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3gua s LEU 52 Cb -0.16 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3gua s LEU 52 CO 0.00 0.23 -0.18 -0.69 0.23 0.00 0.00 176.35 175.93 3gua s VAL 53 N -1.12 2.40 0.17 -1.59 1.01 -0.27 -0.86 120.40 120.14 3gua s VAL 53 Ca 0.20 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 3gua s VAL 53 Cb -0.11 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3gua s VAL 53 CO 0.11 0.53 0.29 -0.72 0.00 0.00 0.00 175.10 175.31 3gua s TYR 54 N 0.76 0.46 -0.23 5.22 -0.85 -0.74 -0.77 117.35 121.20 3gua s TYR 54 Ca -0.07 -0.81 -0.09 0.00 -0.52 0.00 0.00 57.07 55.58 3gua s TYR 54 Cb -0.16 -0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 3gua s TYR 54 CO 0.00 -0.74 0.10 0.71 -1.52 0.00 0.00 175.55 174.11 3gua s TYR 55 N -3.99 3.22 -0.36 -3.49 4.12 0.59 -1.07 117.35 116.37 3gua s TYR 55 Ca 0.19 -0.01 -0.11 0.00 0.02 0.00 0.00 57.07 57.17 3gua s TYR 55 Cb 0.03 -2.20 0.02 0.00 -1.52 0.00 0.00 41.96 38.29 3gua s TYR 55 CO 0.02 -0.04 0.19 -2.00 0.02 0.00 0.00 175.55 173.75 3gua s GLU 56 N 1.02 2.92 -0.23 -0.62 2.12 -0.77 -1.39 118.70 121.74 3gua s GLU 56 Ca 0.05 -1.01 -0.12 0.00 0.36 0.00 0.00 54.97 54.25 3gua s GLU 56 Cb -0.14 -3.69 -0.05 0.00 0.26 0.00 0.00 34.13 30.51 3gua s GLU 56 CO 0.04 -0.64 0.22 -1.14 -0.54 0.00 0.00 175.26 173.19 3gua s GLN 57 N 1.56 4.09 -0.03 4.30 0.74 -0.18 -3.23 119.66 126.92 3gua s GLN 57 Ca 0.02 -0.15 0.06 0.00 0.05 0.00 0.00 55.36 55.35 3gua s GLN 57 Cb -0.19 -3.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.36 3gua s GLN 57 CO 0.06 0.03 -0.22 -0.65 -0.55 0.00 0.00 175.29 173.96 3gua s GLN 58 N 1.15 2.24 -0.04 1.67 -0.21 0.12 -2.18 119.66 122.41 3gua s GLN 58 Ca 0.10 -0.85 -0.03 0.00 0.02 0.00 0.00 55.36 54.60 3gua s GLN 58 Cb -0.14 -2.16 0.01 0.00 1.00 0.00 0.00 33.01 31.72 3gua s GLN 58 CO 0.05 0.58 0.10 0.50 -2.12 0.00 0.00 175.29 174.40 3gua s ARG 59 N -0.69 0.12 0.27 2.91 3.00 -0.87 -1.73 118.95 121.96 3gua s ARG 59 Ca 0.11 0.13 -0.21 0.00 -1.00 0.00 0.00 55.73 54.76 3gua s ARG 59 Cb -0.10 0.06 0.02 0.00 0.00 0.00 0.00 34.95 34.93 3gua s ARG 59 CO -0.00 -0.01 0.70 1.67 0.00 0.00 0.00 175.30 177.65 3gua s TRP 60 N 0.04 -0.19 -0.06 5.12 -2.14 -1.06 -0.56 118.94 120.10 3gua s TRP 60 Ca -0.00 -0.25 0.00 0.00 2.66 0.00 0.00 56.10 58.51 3gua s TRP 60 Cb -0.01 0.67 0.02 0.00 -3.10 0.00 0.00 33.47 31.06 3gua s TRP 60 CO 0.00 -1.20 -0.03 0.21 -2.66 0.00 0.00 176.95 173.27 3gua s LYS 61 N -3.91 0.80 -0.08 3.25 2.20 -1.26 0.22 119.74 120.95 3gua s LYS 61 Ca 0.11 -0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.71 3gua s LYS 61 Cb -0.05 -0.94 -0.01 0.00 -1.51 0.00 0.00 37.83 35.31 3gua s LYS 61 CO 0.06 -0.17 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.17 3gua s LEU 62 N 1.35 2.38 0.33 5.43 1.43 0.02 -4.91 118.68 124.71 3gua s LEU 62 Ca -0.04 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3gua s LEU 62 Cb -0.13 -1.48 0.65 0.00 0.03 0.00 0.00 46.19 45.25 3gua s LEU 62 CO -0.02 0.23 1.91 0.78 0.23 0.00 0.00 176.35 179.48 3gua h ASN 63 N 6.22 0.79 0.02 2.29 2.35 -1.89 -2.04 115.58 123.32 3gua h ASN 63 Ca -0.31 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3gua h ASN 63 Cb 1.19 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.41 3gua h ASN 63 CO 0.50 0.48 0.00 -1.54 -1.65 0.00 0.00 177.43 175.23 3gua n SER 64 N -4.51 0.00 -0.36 5.81 3.41 -1.26 -1.57 113.62 115.14 3gua n SER 64 Ca 0.14 -0.45 0.04 0.00 -0.26 0.00 0.00 58.87 58.34 3gua n SER 64 Cb 0.27 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.02 2.11 -4.77 1.04 4.77 -0.77 -4.97 117.00 113.39 3gua n LEU 65 Ca 0.11 -1.50 -0.37 0.00 -0.03 0.00 0.00 56.01 54.22 3gua n LEU 65 Cb 0.06 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3gua n LEU 65 CO 0.09 0.49 0.83 -0.04 -1.33 0.00 0.00 177.39 177.43 3gua s MET 66 N -0.81 3.81 0.17 3.23 -1.94 -0.61 -3.94 119.30 119.22 3gua s MET 66 Ca 0.12 1.77 -0.16 0.00 -1.71 0.00 0.00 55.69 55.72 3gua s MET 66 Cb 0.07 -2.44 0.02 0.00 2.01 0.00 0.00 34.83 34.49 3gua s MET 66 CO 0.10 -0.51 0.44 1.67 -0.01 0.00 0.00 175.02 176.72 3gua s TRP 67 N -1.53 -0.06 -0.36 -0.03 -2.14 -0.33 -4.93 118.94 109.55 3gua s TRP 67 Ca 0.62 -0.28 -0.16 0.00 2.66 0.00 0.00 56.10 58.95 3gua s TRP 67 Cb -0.29 0.28 -0.00 0.00 -3.10 0.00 0.00 33.47 30.36 3gua s TRP 67 CO 0.35 -0.81 0.38 0.34 -2.66 0.00 0.00 176.95 174.54 3gua s ASP 68 N -2.87 6.18 0.56 -2.66 2.15 -1.26 -4.66 116.67 114.11 3gua s ASP 68 Ca 0.08 -0.34 0.29 0.00 0.43 0.00 0.00 52.55 53.01 3gua s ASP 68 Cb 0.01 -2.20 1.46 0.00 -0.30 0.00 0.00 42.92 41.89 3gua s ASP 68 CO -0.05 -0.40 1.93 -0.65 -0.17 0.00 0.00 175.17 175.82 3gua h PRO 69 N 8.53 0.00 -0.04 4.34 0.11 -1.93 0.90 132.00 143.90 3gua h PRO 69 Ca -0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 3gua h PRO 69 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3gua h PRO 69 CO 0.72 0.00 -0.16 -0.91 -0.21 0.00 0.00 178.00 177.44 3gua h ASN 70 N 0.00 0.05 1.18 -2.05 2.35 -1.92 0.31 115.58 115.50 3gua h ASN 70 Ca 0.30 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3gua h ASN 70 Cb 1.30 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3gua h ASN 70 CO -0.00 0.22 -0.28 -0.62 -1.65 0.00 0.00 177.43 175.10 3gua n GLU 71 N -4.32 0.26 -2.46 0.81 1.02 0.30 -4.24 120.64 112.02 3gua n GLU 71 Ca -0.02 0.15 -0.24 0.00 -0.02 0.00 0.00 57.16 57.03 3gua n GLU 71 Cb 0.24 -1.74 0.01 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.17 3.00 -3.86 -0.32 4.01 -0.61 -4.96 117.16 112.25 3gua n TYR 72 Ca 0.05 -2.96 -0.27 0.00 -0.16 0.00 0.00 57.90 54.55 3gua n TYR 72 Cb 0.43 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 39.33 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 -0.45 -0.41 2.65 2.72 0.00 -1.16 -1.85 105.19 106.68 3gua n GLY 73 Ca 0.35 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.91 -5.23 -4.72 1.61 4.13 0.99 -4.95 115.26 104.18 3gua n ASN 74 Ca -0.08 0.29 -0.42 0.00 1.68 0.00 0.00 54.58 56.05 3gua n ASN 74 Cb 0.58 -4.01 -0.03 0.00 -1.54 0.00 0.00 39.78 34.78 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 2.93 -0.11 2.41 1.01 -0.77 -4.91 121.20 119.79 3gua s ILE 75 Ca 0.00 0.68 0.06 0.00 0.00 0.00 0.00 60.65 61.40 3gua s ILE 75 Cb 0.00 -3.44 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 3gua s ILE 75 CO 0.00 0.06 0.19 0.35 0.00 0.00 0.00 174.94 175.54 3gua n THR 76 N 3.70 0.00 -3.56 2.92 -2.24 -1.26 -4.36 114.28 109.49 3gua n THR 76 Ca 0.12 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 3gua n THR 76 Cb 0.40 0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.34 -0.45 0.04 3.42 -4.77 -1.26 -1.17 116.67 110.13 3gua s ASP 77 Ca -0.01 0.48 -0.04 0.00 -3.30 0.00 0.00 52.55 49.69 3gua s ASP 77 Cb 0.04 0.37 -0.02 0.00 -1.09 0.00 0.00 42.92 42.23 3gua s ASP 77 CO 0.27 -0.43 0.05 0.72 0.70 0.00 0.00 175.17 176.48 3gua s PHE 78 N -1.19 0.26 -0.07 2.11 -0.12 0.15 -4.98 117.98 114.14 3gua s PHE 78 Ca -0.04 -0.59 -0.12 0.00 -0.05 0.00 0.00 56.93 56.12 3gua s PHE 78 Cb -0.00 -0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.15 3gua s PHE 78 CO 0.04 -0.34 0.31 1.03 -0.05 0.00 0.00 175.22 176.21 3gua s ARG 79 N -2.61 3.84 0.04 1.99 3.00 -1.26 -0.75 118.95 123.20 3gua s ARG 79 Ca -0.05 0.19 -0.06 0.00 0.00 0.00 0.00 55.73 55.81 3gua s ARG 79 Cb -0.01 -3.25 -0.01 0.00 0.00 0.00 0.00 34.95 31.67 3gua s ARG 79 CO -0.05 0.63 0.10 -0.08 0.00 0.00 0.00 175.30 175.90 3gua s THR 80 N -0.75 0.14 0.35 0.02 -1.32 -0.61 -4.99 115.64 108.46 3gua s THR 80 Ca 0.20 -1.13 -0.29 0.00 -1.21 0.00 0.00 61.69 59.27 3gua s THR 80 Cb -0.15 -0.95 -0.11 0.00 -1.51 0.00 0.00 72.50 69.78 3gua s THR 80 CO 0.09 -0.62 1.49 -0.55 -2.21 0.00 0.00 174.62 172.82 3gua s SER 81 N -2.21 6.40 0.60 8.08 0.15 -1.26 -0.77 113.70 124.70 3gua s SER 81 Ca -0.04 2.98 0.35 0.00 0.70 0.00 0.00 55.95 59.94 3gua s SER 81 Cb -0.00 -2.66 1.89 0.00 -1.71 0.00 0.00 66.02 63.54 3gua s SER 81 CO -0.05 -0.84 2.22 0.00 1.20 0.00 0.00 173.24 175.76 3gua h ALA 82 N 3.57 1.19 0.00 5.45 0.00 -1.12 -0.54 119.26 127.81 3gua h ALA 82 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3gua h ALA 82 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gua h ALA 82 CO 0.69 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.98 3gua n ALA 83 N -2.19 2.05 1.19 0.00 0.00 -1.26 -3.08 120.51 117.21 3gua n ALA 83 Ca -0.02 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.50 3gua n ALA 83 Cb 0.15 -1.39 0.50 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.68 0.39 -4.10 0.00 8.00 -0.21 -4.91 116.55 114.04 3gua n ASP 84 Ca 0.05 -0.23 -0.08 0.00 0.71 0.00 0.00 54.79 55.24 3gua n ASP 84 Cb 0.29 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.75 0.34 0.38 0.53 -4.36 -1.18 -5.06 121.20 109.10 3gua s ILE 85 Ca 0.20 -1.79 -0.27 0.00 -0.26 0.00 0.00 60.65 58.53 3gua s ILE 85 Cb 0.19 -1.49 -0.10 0.00 1.25 0.00 0.00 42.46 42.32 3gua s ILE 85 CO 0.55 -0.94 1.35 0.86 0.24 0.00 0.00 174.94 177.01 3gua s TRP 86 N -3.69 2.80 0.06 1.37 -0.00 -1.26 -4.95 118.94 113.26 3gua s TRP 86 Ca 0.07 1.35 0.02 0.00 -0.00 0.00 0.00 56.10 57.54 3gua s TRP 86 Cb 0.06 -3.77 -0.03 0.00 -0.00 0.00 0.00 33.47 29.73 3gua s TRP 86 CO -0.08 -2.29 -0.08 0.95 -0.00 0.00 0.00 176.95 175.45 3gua s THR 87 N -1.19 0.61 0.54 5.86 -4.23 -1.26 -5.10 115.64 110.87 3gua s THR 87 Ca 0.54 -1.29 -0.18 0.00 -1.18 0.00 0.00 61.69 59.59 3gua s THR 87 Cb -0.41 -0.88 -0.06 0.00 1.34 0.00 0.00 72.50 72.50 3gua s THR 87 CO 0.54 -0.48 1.04 -2.16 -0.54 0.00 0.00 174.62 173.02 3gua s PRO 88 N -2.10 3.56 -0.51 3.99 0.04 -1.26 -4.93 135.00 133.79 3gua s PRO 88 Ca -0.05 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.20 3gua s PRO 88 Cb -0.07 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.50 3gua s PRO 88 CO -0.01 -0.62 2.69 -0.40 0.04 0.00 0.00 177.00 178.71 3gua n ASP 89 N -1.58 6.60 -4.65 6.66 5.75 -1.26 -4.97 116.55 123.11 3gua n ASP 89 Ca 0.09 -3.27 -0.43 0.00 -0.01 0.00 0.00 54.79 51.17 3gua n ASP 89 Cb 0.53 -1.22 -0.02 0.00 -1.03 0.00 0.00 41.12 39.37 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 -2.51 3.99 0.15 2.12 -1.09 -1.26 -2.64 121.20 119.96 3gua s ILE 90 Ca 0.58 1.17 0.09 0.00 -2.23 0.00 0.00 60.65 60.26 3gua s ILE 90 Cb 0.39 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 3gua s ILE 90 CO -0.24 -0.22 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.16 3gua s THR 91 N 4.14 1.89 0.06 2.92 2.01 0.37 -4.87 115.64 122.16 3gua s THR 91 Ca 0.62 -1.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.50 3gua s THR 91 Cb -0.24 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 3gua s THR 91 CO 0.22 -0.19 1.10 0.00 -0.69 0.00 0.00 174.62 175.05 3gua s ALA 92 N -1.69 3.30 -0.30 7.40 0.00 -1.26 -1.20 121.76 128.02 3gua s ALA 92 Ca 0.14 0.73 0.22 0.00 0.00 0.00 0.00 51.96 53.04 3gua s ALA 92 Cb -0.07 -3.38 0.39 0.00 0.00 0.00 0.00 23.12 20.05 3gua s ALA 92 CO 0.06 -0.30 1.61 1.88 0.00 0.00 0.00 175.76 179.01 3gua h TYR 93 N 6.43 0.00 -0.59 0.00 0.05 -1.21 -3.36 116.97 118.30 3gua h TYR 93 Ca -0.42 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 57.94 3gua h TYR 93 Cb 1.22 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.56 3gua h TYR 93 CO 0.66 0.14 -0.90 -1.13 -1.05 0.00 0.00 178.16 175.88 3gua n SER 94 N -3.15 3.63 -4.80 3.88 3.41 -1.26 -5.03 113.62 110.30 3gua n SER 94 Ca 0.03 -3.19 -0.31 0.00 -0.26 0.00 0.00 58.87 55.13 3gua n SER 94 Cb 0.56 -0.39 0.05 0.00 -0.26 0.00 0.00 64.21 64.17 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 -3.60 5.25 0.00 4.04 1.04 -1.26 -1.73 113.70 117.44 3gua s SER 95 Ca 0.43 1.71 0.03 0.00 0.48 0.00 0.00 55.95 58.59 3gua s SER 95 Cb 0.38 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.98 3gua s SER 95 CO 0.00 -1.53 0.24 0.35 0.98 0.00 0.00 173.24 173.28 3gua n THR 96 N -3.00 0.00 -3.92 2.02 -2.24 0.13 -4.79 114.28 102.47 3gua n THR 96 Ca 0.08 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 3gua n THR 96 Cb 0.53 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 -0.96 0.50 0.31 -0.78 1.81 -1.24 -5.04 118.95 113.54 3gua s ARG 97 Ca 0.02 -0.61 -0.30 0.00 -1.72 0.00 0.00 55.73 53.12 3gua s ARG 97 Cb 0.02 0.20 -0.12 0.00 -0.45 0.00 0.00 34.95 34.60 3gua s ARG 97 CO 0.08 -0.12 1.48 -2.30 -0.68 0.00 0.00 175.30 173.77 3gua n PRO 98 N 1.16 2.46 -1.70 3.54 -0.02 -1.26 -4.62 135.00 134.56 3gua n PRO 98 Ca -0.21 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 61.74 3gua n PRO 98 Cb 0.57 -2.58 0.03 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.45 3.19 -4.29 -1.45 0.31 -1.26 -4.88 118.33 111.40 3gua n VAL 99 Ca 0.07 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.56 3gua n VAL 99 Cb 0.36 -1.54 -0.12 0.00 -0.91 0.00 0.00 33.84 31.62 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 -2.53 3.67 -0.15 5.55 -0.21 -0.59 -4.98 119.66 120.42 3gua s GLN 100 Ca 0.67 -0.51 -0.20 0.00 0.02 0.00 0.00 55.36 55.34 3gua s GLN 100 Cb -0.46 -2.98 -0.03 0.00 1.00 0.00 0.00 33.01 30.54 3gua s GLN 100 CO 0.53 0.18 0.59 0.08 -2.12 0.00 0.00 175.29 174.55 3gua s VAL 101 N 0.54 5.08 -0.35 1.09 1.01 -1.26 -1.07 120.40 125.45 3gua s VAL 101 Ca -0.02 1.15 0.19 0.00 0.00 0.00 0.00 61.98 63.30 3gua s VAL 101 Cb -0.14 -3.92 -0.27 0.00 0.00 0.00 0.00 36.38 32.05 3gua s VAL 101 CO 0.02 0.21 0.57 0.18 0.00 0.00 0.00 175.10 176.08 3gua n LEU 102 N 4.33 0.33 -4.61 3.92 4.77 0.11 -4.98 117.00 120.87 3gua n LEU 102 Ca -0.03 -0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.50 3gua n LEU 102 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3gua n LEU 102 CO 0.44 0.08 -0.31 -0.94 -1.33 0.00 0.00 177.39 175.34 3gua s SER 103 N -3.71 3.98 0.74 -1.43 1.04 -1.24 -4.93 113.70 108.15 3gua s SER 103 Ca -0.02 -1.18 -0.15 0.00 0.48 0.00 0.00 55.95 55.08 3gua s SER 103 Cb 0.13 -0.43 0.04 0.00 0.10 0.00 0.00 66.02 65.87 3gua s SER 103 CO 0.80 -0.33 1.24 -2.84 0.98 0.00 0.00 173.24 173.09 3gua s PRO 104 N -3.70 2.02 -1.17 4.02 0.02 -1.26 -4.83 135.00 130.09 3gua s PRO 104 Ca 0.35 1.86 -0.10 0.00 0.02 0.00 0.00 61.00 63.14 3gua s PRO 104 Cb 0.04 -1.81 0.23 0.00 0.02 0.00 0.00 34.50 32.99 3gua s PRO 104 CO 0.18 -1.95 1.39 1.04 -0.33 0.00 0.00 177.00 177.33 3gua n GLN 105 N -2.74 3.66 -4.49 5.54 1.13 -1.26 -4.82 117.38 114.40 3gua n GLN 105 Ca 0.14 -4.15 -0.22 0.00 -1.94 0.00 0.00 57.00 50.83 3gua n GLN 105 Cb 0.50 -2.75 -0.16 0.00 0.11 0.00 0.00 30.24 27.93 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 -0.40 0.96 0.27 5.09 1.01 -1.26 -0.52 121.20 126.35 3gua s ILE 106 Ca 0.36 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.67 3gua s ILE 106 Cb -0.02 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 3gua s ILE 106 CO -0.01 0.30 0.08 0.00 0.00 0.00 0.00 174.94 175.31 3gua s ALA 107 N 0.40 3.34 -0.17 9.38 0.00 0.05 -4.60 121.76 130.16 3gua s ALA 107 Ca -0.08 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.28 3gua s ALA 107 Cb -0.12 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.08 3gua s ALA 107 CO 0.02 0.23 -0.16 0.08 0.00 0.00 0.00 175.76 175.92 3gua s VAL 108 N -2.28 2.49 -0.13 0.00 1.01 -0.12 -1.58 120.40 119.79 3gua s VAL 108 Ca 0.33 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 3gua s VAL 108 Cb -0.06 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3gua s VAL 108 CO 0.22 0.51 0.02 -0.69 0.00 0.00 0.00 175.10 175.16 3gua s VAL 109 N 1.04 4.42 0.20 2.92 1.01 0.07 -0.65 120.40 129.41 3gua s VAL 109 Ca -0.01 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3gua s VAL 109 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3gua s VAL 109 CO -0.04 0.53 -0.03 -0.89 0.00 0.00 0.00 175.10 174.67 3gua s THR 110 N -0.19 3.49 0.58 3.92 2.01 -0.29 -0.67 115.64 124.48 3gua s THR 110 Ca 0.06 -1.60 0.27 0.00 0.31 0.00 0.00 61.69 60.73 3gua s THR 110 Cb -0.12 -2.77 0.35 0.00 0.01 0.00 0.00 72.50 69.96 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 2.60 0.00 0.00 4.92 2.07 -1.44 0.21 115.15 123.51 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 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 3gua h HIS 111 CO 0.64 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.10 3gua n ASP 112 N -3.94 0.00 0.00 3.10 5.75 -1.26 -1.18 116.55 119.01 3gua n ASP 112 Ca -0.01 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 3gua n ASP 112 Cb 0.16 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 0.50 0.73 3.76 6.12 0.00 0.74 -4.65 105.19 112.38 3gua n GLY 113 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.64 7.38 -0.05 1.61 1.04 -1.22 -0.80 113.70 119.02 3gua s SER 114 Ca 0.00 1.64 0.02 0.00 0.48 0.00 0.00 55.95 58.09 3gua s SER 114 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 3gua s SER 114 CO 0.00 0.11 -0.09 -0.69 0.98 0.00 0.00 173.24 173.55 3gua s VAL 115 N -0.69 3.47 -0.12 5.02 1.01 0.13 -1.14 120.40 128.08 3gua s VAL 115 Ca 0.38 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3gua s VAL 115 Cb -0.23 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.75 3gua s VAL 115 CO 0.26 0.55 -0.14 -0.32 0.00 0.00 0.00 175.10 175.45 3gua s MET 116 N -0.91 2.20 -0.11 2.72 1.75 0.18 -2.57 119.30 122.57 3gua s MET 116 Ca 0.13 -0.54 -0.01 0.00 -1.25 0.00 0.00 55.69 54.02 3gua s MET 116 Cb -0.11 -1.95 0.03 0.00 2.84 0.00 0.00 34.83 35.64 3gua s MET 116 CO 0.02 -0.14 -0.06 0.12 -0.65 0.00 0.00 175.02 174.31 3gua s PHE 117 N 1.21 1.35 -0.54 4.11 5.36 -0.70 -0.94 117.98 127.82 3gua s PHE 117 Ca -0.02 -0.65 0.06 0.00 -0.96 0.00 0.00 56.93 55.36 3gua s PHE 117 Cb -0.14 -1.16 0.21 0.00 -0.34 0.00 0.00 43.02 41.59 3gua s PHE 117 CO -0.05 -0.49 0.54 -0.89 -1.46 0.00 0.00 175.22 172.87 3gua n ILE 118 N 4.98 0.60 -2.55 3.12 5.41 -1.26 0.14 119.36 129.81 3gua n ILE 118 Ca -0.11 -4.42 -0.38 0.00 1.00 0.00 0.00 62.75 58.83 3gua n ILE 118 Cb 0.50 -1.98 -0.04 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 -1.33 4.45 0.06 0.38 0.04 -1.20 -4.79 135.00 132.61 3gua s PRO 119 Ca 0.33 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.78 3gua s PRO 119 Cb 0.08 -2.89 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 3gua s PRO 119 CO -0.12 0.09 0.64 0.00 0.04 0.00 0.00 177.00 177.65 3gua s ALA 120 N -1.41 3.50 0.03 8.56 0.00 -1.26 -1.86 121.76 129.32 3gua s ALA 120 Ca 0.50 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.60 3gua s ALA 120 Cb -0.26 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 3gua s ALA 120 CO 0.33 0.25 -0.05 -0.65 0.00 0.00 0.00 175.76 175.64 3gua s GLN 121 N -0.64 0.41 -0.21 0.00 -0.21 -0.23 0.04 119.66 118.81 3gua s GLN 121 Ca 0.32 -0.64 -0.05 0.00 0.02 0.00 0.00 55.36 55.01 3gua s GLN 121 Cb -0.20 -0.10 -0.02 0.00 1.00 0.00 0.00 33.01 33.69 3gua s GLN 121 CO 0.20 0.01 -0.01 0.50 -2.12 0.00 0.00 175.29 173.87 3gua s ARG 122 N -1.41 3.55 -0.11 2.91 3.52 -0.23 -1.79 118.95 125.39 3gua s ARG 122 Ca -0.12 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 3gua s ARG 122 Cb -0.09 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.21 3gua s ARG 122 CO -0.00 -0.07 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.04 3gua s LEU 123 N 1.19 2.22 -0.25 -0.88 2.96 -0.04 -1.54 118.68 122.35 3gua s LEU 123 Ca 0.03 -0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 53.31 3gua s LEU 123 Cb -0.15 -1.46 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 3gua s LEU 123 CO 0.01 0.15 0.19 -0.44 -1.32 0.00 0.00 176.35 174.94 3gua s SER 124 N 0.43 6.12 0.13 3.68 0.01 -1.26 -1.30 113.70 121.50 3gua s SER 124 Ca -0.15 0.12 -0.00 0.00 1.31 0.00 0.00 55.95 57.22 3gua s SER 124 Cb -0.17 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 3gua s SER 124 CO 0.07 0.02 0.03 0.72 0.41 0.00 0.00 173.24 174.48 3gua s PHE 125 N 1.28 0.92 -0.12 2.43 -0.12 -0.59 0.18 117.98 121.96 3gua s PHE 125 Ca 0.08 -1.15 -0.29 0.00 -0.05 0.00 0.00 56.93 55.52 3gua s PHE 125 Cb -0.14 -0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 41.68 3gua s PHE 125 CO 0.06 -0.42 1.46 -1.64 -0.05 0.00 0.00 175.22 174.64 3gua s MET 126 N -4.00 4.19 -0.29 1.99 -1.94 -0.71 -1.28 119.30 117.27 3gua s MET 126 Ca 0.22 1.91 -0.14 0.00 -1.71 0.00 0.00 55.69 55.96 3gua s MET 126 Cb 0.07 -3.88 0.12 0.00 2.01 0.00 0.00 34.83 33.15 3gua s MET 126 CO 0.01 -0.80 0.78 0.00 -0.01 0.00 0.00 175.02 175.00 3gua s ASP 128 N 1.95 6.35 -0.12 0.00 2.15 -1.26 -3.25 116.67 122.50 3gua s ASP 128 Ca -0.08 -0.05 0.05 0.00 0.43 0.00 0.00 52.55 52.89 3gua s ASP 128 Cb -0.06 -2.30 0.32 0.00 -0.30 0.00 0.00 42.92 40.57 3gua s ASP 128 CO -0.18 -0.59 1.11 -0.81 -0.17 0.00 0.00 175.17 174.53 3gua n PRO 129 N 5.96 2.29 -1.82 4.34 -0.04 -1.26 -4.70 135.00 139.77 3gua n PRO 129 Ca -0.03 -1.27 -0.42 0.00 -0.04 0.00 0.00 63.50 61.75 3gua n PRO 129 Cb 0.48 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 3gua n PRO 129 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3gua s THR 130 N -1.61 2.46 0.00 0.52 2.01 -1.26 -2.09 115.64 115.67 3gua s THR 130 Ca 0.22 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.45 3gua s THR 130 Cb 0.18 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.54 3gua s THR 130 CO 0.06 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 3gua n GLY 131 N 3.96 0.73 0.25 4.40 0.00 -1.26 -4.43 105.19 108.84 3gua n GLY 131 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 0.58 -0.01 1.61 3.04 -1.61 -1.13 116.25 118.73 3gua h VAL 132 Ca 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3gua h VAL 132 Cb 0.00 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 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 -3.60 0.31 -3.83 3.17 5.75 -1.26 -0.45 116.55 116.63 3gua n ASP 133 Ca -0.01 -1.23 -0.17 0.00 -0.01 0.00 0.00 54.79 53.36 3gua n ASP 133 Cb 0.28 -0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 -0.70 2.21 0.12 -1.12 3.41 -0.44 -4.96 113.62 112.14 3gua n SER 134 Ca 0.20 -2.25 -0.23 0.00 -0.26 0.00 0.00 58.87 56.33 3gua n SER 134 Cb 0.14 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.57 0.00 4.33 4.81 -1.89 -3.24 114.58 119.15 3gua h GLU 135 Ca -0.23 -0.85 0.00 0.00 -0.13 0.00 0.00 59.36 58.15 3gua h GLU 135 Cb 0.83 0.30 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3gua h GLU 135 CO 0.36 1.39 0.00 -0.85 -0.73 0.00 0.00 179.01 179.19 3gua n GLU 136 N -3.74 0.22 0.00 1.92 0.00 -1.26 -5.00 120.64 112.77 3gua n GLU 136 Ca -0.15 0.22 0.00 0.00 0.00 0.00 0.00 57.16 57.24 3gua n GLU 136 Cb 1.04 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.70 3gua n GLU 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gua n GLY 137 N 1.11 -1.51 3.55 -1.84 0.00 -1.17 -4.85 105.19 100.50 3gua n GLY 137 Ca 0.05 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.26 2.91 -0.07 4.61 0.00 0.73 -4.31 121.76 124.36 3gua s ALA 138 Ca 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.42 3gua s ALA 138 Cb 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 3gua s ALA 138 CO 0.00 0.40 -0.21 0.99 0.00 0.00 0.00 175.76 176.94 3gua s THR 139 N -1.93 1.76 0.10 0.00 2.01 -1.26 -0.98 115.64 115.34 3gua s THR 139 Ca 0.26 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.44 3gua s THR 139 Cb -0.08 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 3gua s THR 139 CO 0.15 0.49 -0.10 0.00 -0.69 0.00 0.00 174.62 174.48 3gua s ALA 141 N -2.59 0.10 -0.06 0.00 0.00 -1.26 -0.27 121.76 117.68 3gua s ALA 141 Ca 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 3gua s ALA 141 Cb -0.02 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3gua s ALA 141 CO 0.00 -0.11 0.15 0.54 0.00 0.00 0.00 175.76 176.34 3gua s VAL 142 N -1.03 -0.02 -0.05 0.00 0.11 -0.35 -4.93 120.40 114.13 3gua s VAL 142 Ca -0.11 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.88 3gua s VAL 142 Cb -0.07 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 3gua s VAL 142 CO -0.01 0.03 0.30 -0.54 -3.33 0.00 0.00 175.10 171.55 3gua s LYS 143 N 0.46 3.74 -0.05 1.54 1.02 -1.26 -0.67 119.74 124.52 3gua s LYS 143 Ca -0.03 0.19 0.06 0.00 0.02 0.00 0.00 55.97 56.21 3gua s LYS 143 Cb -0.05 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3gua s LYS 143 CO -0.02 0.72 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.84 3gua s PHE 144 N -1.02 2.48 0.06 3.18 0.08 0.74 -0.56 117.98 122.94 3gua s PHE 144 Ca 0.20 -0.54 -0.27 0.00 0.12 0.00 0.00 56.93 56.45 3gua s PHE 144 Cb -0.15 -1.59 0.09 0.00 -0.57 0.00 0.00 43.02 40.80 3gua s PHE 144 CO 0.09 -0.09 1.18 0.20 -0.10 0.00 0.00 175.22 176.50 3gua s GLY 145 N -0.36 -0.14 0.58 4.36 0.00 -0.34 0.29 107.32 111.72 3gua s GLY 145 Ca 0.02 0.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.65 3gua s GLY 145 CO 0.02 2.61 1.27 -0.45 0.00 0.00 0.00 173.10 176.55 3gua s SER 146 N -3.38 5.18 0.02 1.64 0.15 -1.26 -0.48 113.70 115.57 3gua s SER 146 Ca 0.21 2.54 -0.01 0.00 0.70 0.00 0.00 55.95 59.39 3gua s SER 146 Cb 0.00 -2.61 -0.27 0.00 -1.71 0.00 0.00 66.02 61.43 3gua s SER 146 CO 0.01 -1.61 0.91 -0.25 1.20 0.00 0.00 173.24 173.49 3gua h TRP 147 N 1.10 0.39 0.00 3.44 2.91 -1.87 -3.42 115.95 118.49 3gua h TRP 147 Ca -0.51 -0.28 0.00 0.00 1.13 0.00 0.00 58.89 59.23 3gua h TRP 147 Cb 1.30 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 3gua h TRP 147 CO 0.46 1.31 0.00 1.33 -1.03 0.00 0.00 178.44 180.51 3gua n VAL 148 N -3.42 0.00 -3.92 2.65 0.24 -1.26 -5.04 118.33 107.57 3gua n VAL 148 Ca -0.14 -0.32 -0.35 0.00 -2.04 0.00 0.00 64.34 61.49 3gua n VAL 148 Cb 1.03 1.11 -0.09 0.00 -1.47 0.00 0.00 33.84 34.42 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 -0.45 3.32 0.89 6.34 2.02 -1.26 -5.11 117.35 123.10 3gua s TYR 149 Ca 0.00 0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.76 3gua s TYR 149 Cb 0.00 -2.09 0.16 0.00 -0.40 0.00 0.00 41.96 39.63 3gua s TYR 149 CO 0.00 0.24 1.24 -1.54 -1.57 0.00 0.00 175.55 173.92 3gua s SER 150 N 0.25 3.65 0.56 2.29 1.04 -1.26 -4.69 113.70 115.54 3gua s SER 150 Ca 0.06 0.33 0.29 0.00 0.48 0.00 0.00 55.95 57.10 3gua s SER 150 Cb -0.12 -0.54 1.64 0.00 0.10 0.00 0.00 66.02 67.10 3gua s SER 150 CO -0.00 -2.39 2.16 1.23 0.98 0.00 0.00 173.24 175.22 3gua h GLY 151 N -1.33 0.00 2.00 7.32 0.00 -0.08 0.00 103.07 110.97 3gua h GLY 151 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3gua h GLY 151 CO 0.46 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.74 3gua h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.93 -3.34 116.94 117.31 3gua h PHE 152 Ca -0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 3gua h PHE 152 Cb 0.18 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 3gua h PHE 152 CO 0.00 0.00 -1.50 0.39 -0.60 0.00 0.00 178.31 176.60 3gua n GLU 153 N -2.86 0.29 -4.12 1.51 4.71 -0.52 -4.30 120.64 115.35 3gua n GLU 153 Ca 0.01 0.12 -0.33 0.00 -0.01 0.00 0.00 57.16 56.95 3gua n GLU 153 Cb 0.27 -0.98 -0.16 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 -2.29 2.07 -0.04 -3.67 1.01 -0.13 -0.86 121.20 117.29 3gua s ILE 154 Ca -0.18 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.47 3gua s ILE 154 Cb 0.06 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3gua s ILE 154 CO 0.24 0.53 0.18 -0.62 0.00 0.00 0.00 174.94 175.27 3gua s ASP 155 N 1.29 6.39 0.11 3.58 2.15 0.12 -3.78 116.67 126.54 3gua s ASP 155 Ca 0.05 0.41 0.04 0.00 0.43 0.00 0.00 52.55 53.47 3gua s ASP 155 Cb -0.13 -2.03 -0.04 0.00 -0.30 0.00 0.00 42.92 40.42 3gua s ASP 155 CO -0.13 0.30 0.11 -0.76 -0.17 0.00 0.00 175.17 174.52 3gua s LEU 156 N -1.68 3.83 0.08 -1.34 1.43 -1.26 -0.31 118.68 119.44 3gua s LEU 156 Ca 0.24 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.13 3gua s LEU 156 Cb -0.13 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.65 3gua s LEU 156 CO 0.15 0.13 0.41 -1.59 0.23 0.00 0.00 176.35 175.67 3gua s LYS 157 N -2.69 0.99 0.19 1.70 -2.85 -0.58 -4.91 119.74 111.59 3gua s LYS 157 Ca 0.30 -0.52 0.09 0.00 -1.00 0.00 0.00 55.97 54.84 3gua s LYS 157 Cb -0.11 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 3gua s LYS 157 CO 0.23 -0.36 -0.11 0.95 0.10 0.00 0.00 175.35 176.16 3gua s THR 158 N -3.09 3.11 -0.21 3.79 -4.23 -1.26 -0.34 115.64 113.41 3gua s THR 158 Ca -0.01 -1.73 0.17 0.00 -1.18 0.00 0.00 61.69 58.93 3gua s THR 158 Cb 0.00 -2.55 0.12 0.00 1.34 0.00 0.00 72.50 71.42 3gua s THR 158 CO -0.07 -0.14 1.48 0.44 -0.54 0.00 0.00 174.62 175.79 3gua h ASP 159 N 2.85 0.00 -4.99 3.99 3.32 -1.97 -3.48 116.42 116.14 3gua h ASP 159 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 3gua h ASP 159 Cb 1.21 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 3gua h ASP 159 CO 0.54 0.40 0.22 0.28 -1.72 0.00 0.00 179.24 178.97 3gua s THR 160 N -3.01 0.00 -0.72 0.35 -1.32 -1.26 -5.04 115.64 104.64 3gua s THR 160 Ca 0.05 -0.03 0.26 0.00 -1.21 0.00 0.00 61.69 60.76 3gua s THR 160 Cb 0.07 -1.03 0.24 0.00 -1.51 0.00 0.00 72.50 70.27 3gua s THR 160 CO 0.73 0.00 1.68 0.47 -2.21 0.00 0.00 174.62 175.29 3gua n ASP 161 N -0.38 0.79 -4.62 8.08 8.00 -1.26 -4.73 116.55 122.43 3gua n ASP 161 Ca -0.16 0.48 -0.41 0.00 0.71 0.00 0.00 54.79 55.41 3gua n ASP 161 Cb 0.65 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 3gua n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3gua s GLN 162 N -3.11 4.05 0.17 -1.24 -1.52 -1.26 -0.52 119.66 116.23 3gua s GLN 162 Ca 0.10 0.45 -0.31 0.00 -1.95 0.00 0.00 55.36 53.65 3gua s GLN 162 Cb 0.13 -3.67 -0.10 0.00 -0.22 0.00 0.00 33.01 29.15 3gua s GLN 162 CO 0.62 -0.44 1.52 0.08 -0.25 0.00 0.00 175.29 176.82 3gua s VAL 163 N 2.50 2.74 -0.38 1.09 1.01 -0.62 -4.84 120.40 121.89 3gua s VAL 163 Ca 0.25 0.54 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 3gua s VAL 163 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3gua s VAL 163 CO 0.09 0.05 1.77 -0.62 0.00 0.00 0.00 175.10 176.39 3gua s ASP 164 N 1.00 5.85 0.00 3.32 2.15 -0.22 -4.86 116.67 123.91 3gua s ASP 164 Ca 0.67 1.11 0.19 0.00 0.43 0.00 0.00 52.55 54.95 3gua s ASP 164 Cb -0.42 -2.53 0.52 0.00 -0.30 0.00 0.00 42.92 40.19 3gua s ASP 164 CO 0.33 -1.78 1.43 0.18 -0.17 0.00 0.00 175.17 175.16 3gua n LEU 165 N 10.50 3.58 0.07 -1.34 4.77 -1.26 -2.16 117.00 131.16 3gua n LEU 165 Ca 0.22 -1.94 0.10 0.00 -0.03 0.00 0.00 56.01 54.36 3gua n LEU 165 Cb 0.48 -0.39 0.43 0.00 -2.33 0.00 0.00 43.42 41.61 3gua n LEU 165 CO 0.69 0.88 0.82 -1.54 -1.33 0.00 0.00 177.39 176.92 3gua n SER 166 N 1.28 0.39 -0.44 -1.43 3.41 -1.26 -2.31 113.62 113.26 3gua n SER 166 Ca 0.20 0.58 0.04 0.00 -0.26 0.00 0.00 58.87 59.43 3gua n SER 166 Cb 0.56 -0.67 0.10 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.92 2.56 -4.73 4.04 7.64 -1.26 -5.02 113.62 114.92 3gua n SER 167 Ca 0.03 -1.93 -0.42 0.00 1.01 0.00 0.00 58.87 57.57 3gua n SER 167 Cb 0.24 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 3.06 -0.16 1.43 5.04 -0.98 -4.60 117.35 120.18 3gua s TYR 168 Ca 0.16 0.91 -0.31 0.00 -2.44 0.00 0.00 57.07 55.39 3gua s TYR 168 Cb 0.08 -3.83 -0.08 0.00 0.35 0.00 0.00 41.96 38.48 3gua s TYR 168 CO 0.11 -2.83 2.10 0.98 -1.34 0.00 0.00 175.55 174.57 3gua n TYR 169 N 2.95 2.10 -0.32 4.97 9.36 0.17 -4.84 117.16 131.56 3gua n TYR 169 Ca 0.09 -0.09 0.15 0.00 3.32 0.00 0.00 57.90 61.36 3gua n TYR 169 Cb 0.40 -2.70 0.38 0.00 -0.63 0.00 0.00 39.34 36.79 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 12.47 1.85 -0.52 2.98 0.00 -1.89 -2.47 119.26 131.67 3gua h ALA 170 Ca -0.42 0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.28 3gua h ALA 170 Cb 1.26 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 3gua h ALA 170 CO 0.96 -0.18 0.11 0.43 0.00 0.00 0.00 179.25 180.58 3gua n SER 171 N -4.66 2.88 -4.70 0.00 7.64 -1.26 -5.02 113.62 108.50 3gua n SER 171 Ca 0.22 -3.71 -0.32 0.00 1.01 0.00 0.00 58.87 56.07 3gua n SER 171 Cb 0.60 -0.69 0.14 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.18 3.47 0.54 6.43 0.15 -0.93 -4.91 113.70 116.26 3gua s SER 172 Ca 0.48 2.20 0.30 0.00 0.70 0.00 0.00 55.95 59.63 3gua s SER 172 Cb 0.42 -2.57 1.49 0.00 -1.71 0.00 0.00 66.02 63.66 3gua s SER 172 CO 0.03 -2.74 2.06 0.11 1.20 0.00 0.00 173.24 173.90 3gua h LYS 173 N -1.33 0.00 -5.42 5.44 1.79 -1.91 -3.43 116.57 111.70 3gua h LYS 173 Ca -0.44 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.49 3gua h LYS 173 Cb 1.27 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.62 3gua h LYS 173 CO 0.45 0.10 -0.83 0.71 -1.08 0.00 0.00 179.45 178.80 3gua s TYR 174 N -4.02 1.54 0.05 -1.35 2.02 -1.26 -1.38 117.35 112.96 3gua s TYR 174 Ca -0.02 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3gua s TYR 174 Cb 0.12 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 3gua s TYR 174 CO 0.56 -0.08 0.10 -1.83 -1.57 0.00 0.00 175.55 172.73 3gua s GLU 175 N -0.20 3.04 -0.15 -0.62 -1.05 -0.27 -4.76 118.70 114.70 3gua s GLU 175 Ca 0.02 -0.58 -0.22 0.00 -0.15 0.00 0.00 54.97 54.04 3gua s GLU 175 Cb -0.08 -2.82 -0.03 0.00 -0.44 0.00 0.00 34.13 30.75 3gua s GLU 175 CO 0.00 0.60 0.67 0.42 0.95 0.00 0.00 175.26 177.90 3gua s ILE 176 N -1.35 5.02 -0.10 1.83 -1.09 -1.26 -2.26 121.20 121.99 3gua s ILE 176 Ca 0.28 1.31 -0.03 0.00 -2.23 0.00 0.00 60.65 59.98 3gua s ILE 176 Cb -0.12 -3.99 -0.26 0.00 -1.58 0.00 0.00 42.46 36.51 3gua s ILE 176 CO 0.21 0.16 0.46 -0.07 -1.23 0.00 0.00 174.94 174.47 3gua h LEU 177 N 7.65 0.33 -7.00 2.97 3.38 -0.13 -3.49 115.31 119.02 3gua h LEU 177 Ca -0.35 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 56.88 3gua h LEU 177 Cb 1.16 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.63 3gua h LEU 177 CO 0.78 1.66 0.28 -0.94 0.09 0.00 0.00 178.44 180.31 3gua s SER 178 N -6.84 -0.55 -0.15 -0.43 1.04 -1.05 -4.98 113.70 100.73 3gua s SER 178 Ca -0.18 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 56.57 3gua s SER 178 Cb 0.07 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.77 3gua s SER 178 CO 0.79 -0.69 0.26 0.00 0.98 0.00 0.00 173.24 174.58 3gua s ALA 179 N -2.22 -0.54 0.23 5.32 0.00 -1.26 -0.44 121.76 122.85 3gua s ALA 179 Ca -0.04 0.82 0.11 0.00 0.00 0.00 0.00 51.96 52.85 3gua s ALA 179 Cb -0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 3gua s ALA 179 CO -0.01 -0.77 -0.21 0.95 0.00 0.00 0.00 175.76 175.72 3gua s THR 180 N 2.41 2.32 -0.14 0.00 -4.23 -0.44 -1.59 115.64 113.99 3gua s THR 180 Ca 0.03 -2.19 -0.01 0.00 -1.18 0.00 0.00 61.69 58.33 3gua s THR 180 Cb -0.13 -2.17 0.04 0.00 1.34 0.00 0.00 72.50 71.58 3gua s THR 180 CO -0.10 -0.28 -0.02 0.00 -0.54 0.00 0.00 174.62 173.68 3gua s GLN 181 N -3.10 0.99 -0.04 3.99 -2.07 0.32 -0.98 119.66 118.77 3gua s GLN 181 Ca 0.24 -0.26 0.04 0.00 -1.82 0.00 0.00 55.36 53.57 3gua s GLN 181 Cb -0.06 -1.64 -0.00 0.00 -1.09 0.00 0.00 33.01 30.21 3gua s GLN 181 CO 0.12 -0.42 -0.16 0.99 -1.32 0.00 0.00 175.29 174.49 3gua s THR 182 N 1.81 1.36 0.19 3.63 2.01 -0.68 -4.28 115.64 119.68 3gua s THR 182 Ca 0.02 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 3gua s THR 182 Cb -0.14 -1.18 -0.08 0.00 0.01 0.00 0.00 72.50 71.11 3gua s THR 182 CO -0.07 0.40 1.00 -0.60 -0.69 0.00 0.00 174.62 174.66 3gua s ARG 183 N 0.10 4.72 -0.02 4.92 3.52 -1.26 0.38 118.95 131.32 3gua s ARG 183 Ca -0.05 1.56 0.04 0.00 -0.13 0.00 0.00 55.73 57.15 3gua s ARG 183 Cb -0.12 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 3gua s ARG 183 CO 0.02 0.28 -0.14 -0.65 -0.81 0.00 0.00 175.30 174.01 3gua s GLN 184 N -0.62 1.18 -0.32 5.12 -0.21 0.80 -4.92 119.66 120.69 3gua s GLN 184 Ca 0.45 -0.48 -0.07 0.00 0.02 0.00 0.00 55.36 55.28 3gua s GLN 184 Cb -0.26 -1.12 0.02 0.00 1.00 0.00 0.00 33.01 32.65 3gua s GLN 184 CO 0.33 0.27 0.09 0.08 -2.12 0.00 0.00 175.29 173.94 3gua s VAL 185 N -0.22 3.88 0.05 1.09 1.01 -1.26 -1.69 120.40 123.26 3gua s VAL 185 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3gua s VAL 185 Cb -0.06 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3gua s VAL 185 CO -0.00 -0.04 -0.01 -1.10 0.00 0.00 0.00 175.10 173.95 3gua s GLN 186 N 1.46 2.63 0.12 2.72 -1.52 -0.42 -4.95 119.66 119.69 3gua s GLN 186 Ca 0.01 -0.74 0.07 0.00 -1.95 0.00 0.00 55.36 52.75 3gua s GLN 186 Cb -0.18 -2.58 -0.04 0.00 -0.22 0.00 0.00 33.01 29.99 3gua s GLN 186 CO 0.03 0.58 -0.18 -1.01 -0.25 0.00 0.00 175.29 174.45 3gua s HIS 187 N -1.19 1.65 0.01 0.91 3.76 -1.26 -0.30 115.29 118.86 3gua s HIS 187 Ca 0.23 -0.46 0.06 0.00 -0.15 0.00 0.00 55.06 54.73 3gua s HIS 187 Cb -0.12 -0.87 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 3gua s HIS 187 CO 0.14 0.21 -0.18 0.71 -0.85 0.00 0.00 174.74 174.77 3gua s TYR 188 N -1.59 1.56 -1.08 1.40 2.02 -1.26 -5.03 117.35 113.36 3gua s TYR 188 Ca 0.08 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 56.53 3gua s TYR 188 Cb -0.08 -0.97 0.32 0.00 -0.40 0.00 0.00 41.96 40.83 3gua s TYR 188 CO 0.04 0.02 1.20 -1.13 -1.57 0.00 0.00 175.55 174.12 3gua n SER 189 N 2.29 0.00 -0.46 2.29 3.41 -1.26 -1.81 113.62 118.09 3gua n SER 189 Ca -0.16 0.44 0.11 0.00 -0.26 0.00 0.00 58.87 59.00 3gua n SER 189 Cb 0.54 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 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 8.17 0.00 -6.54 0.00 0.13 -1.93 -3.38 132.00 128.46 3gua h PRO 192 Ca -0.17 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.43 3gua h PRO 192 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 3gua h PRO 192 CO 0.27 0.00 0.02 -1.83 -0.23 0.00 0.00 178.00 176.23 3gua s GLU 193 N -3.52 4.03 0.55 0.86 1.03 -1.26 -5.04 118.70 115.35 3gua s GLU 193 Ca 0.01 0.62 -0.19 0.00 0.03 0.00 0.00 54.97 55.44 3gua s GLU 193 Cb 0.09 -2.71 -0.06 0.00 -0.80 0.00 0.00 34.13 30.65 3gua s GLU 193 CO 0.35 0.33 1.09 -1.25 -1.33 0.00 0.00 175.26 174.45 3gua s PRO 194 N -2.43 3.41 0.10 -4.83 0.04 -1.26 -4.63 135.00 125.39 3gua s PRO 194 Ca 0.46 1.44 0.10 0.00 0.04 0.00 0.00 61.00 63.04 3gua s PRO 194 Cb -0.13 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3gua s PRO 194 CO 0.19 -0.77 -0.24 0.71 0.04 0.00 0.00 177.00 176.93 3gua s TYR 195 N -2.01 2.38 0.01 0.56 2.02 0.59 0.46 117.35 121.36 3gua s TYR 195 Ca 0.69 -0.35 0.08 0.00 -0.37 0.00 0.00 57.07 57.11 3gua s TYR 195 Cb -0.20 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.01 3gua s TYR 195 CO 0.28 0.29 -0.23 0.42 -1.57 0.00 0.00 175.55 174.74 3gua s ILE 196 N -1.00 2.33 0.09 2.71 -1.09 -1.26 -1.31 121.20 121.67 3gua s ILE 196 Ca 0.14 -1.17 -0.04 0.00 -2.23 0.00 0.00 60.65 57.36 3gua s ILE 196 Cb -0.10 -1.89 -0.03 0.00 -1.58 0.00 0.00 42.46 38.87 3gua s ILE 196 CO 0.06 0.47 0.08 1.51 -1.23 0.00 0.00 174.94 175.83 3gua s ASP 197 N -0.97 0.30 -0.21 3.58 -4.77 -0.68 -4.39 116.67 109.52 3gua s ASP 197 Ca 0.12 -0.94 -0.06 0.00 -3.30 0.00 0.00 52.55 48.37 3gua s ASP 197 Cb -0.10 0.29 -0.03 0.00 -1.09 0.00 0.00 42.92 41.99 3gua s ASP 197 CO 0.01 -0.70 0.02 -0.69 0.70 0.00 0.00 175.17 174.51 3gua s VAL 198 N -3.94 4.12 -0.45 2.11 1.01 0.15 -0.14 120.40 123.25 3gua s VAL 198 Ca 0.12 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 3gua s VAL 198 Cb 0.06 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.61 3gua s VAL 198 CO -0.06 0.42 0.49 0.21 0.00 0.00 0.00 175.10 176.15 3gua s ASN 199 N 1.01 6.20 -0.31 3.32 2.47 0.16 -0.19 114.94 127.61 3gua s ASN 199 Ca 0.02 -0.84 -0.23 0.00 0.42 0.00 0.00 52.86 52.24 3gua s ASN 199 Cb -0.14 -2.24 -0.00 0.00 -1.45 0.00 0.00 41.25 37.42 3gua s ASN 199 CO 0.02 -0.68 0.75 -0.22 -3.72 0.00 0.00 177.10 173.25 3gua s LEU 200 N 2.20 4.10 -0.18 3.21 2.96 0.15 -1.68 118.68 129.45 3gua s LEU 200 Ca 0.12 0.60 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 3gua s LEU 200 Cb -0.19 -3.01 0.03 0.00 0.50 0.00 0.00 46.19 43.52 3gua s LEU 200 CO 0.12 -0.59 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.71 3gua s VAL 201 N 2.88 1.92 -0.13 1.68 1.01 -0.15 -1.21 120.40 126.40 3gua s VAL 201 Ca 0.31 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3gua s VAL 201 Cb -0.14 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3gua s VAL 201 CO 0.12 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 174.80 3gua s VAL 202 N 1.33 2.71 -0.24 2.92 1.01 0.63 -1.32 120.40 127.42 3gua s VAL 202 Ca 0.03 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 3gua s VAL 202 Cb -0.14 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3gua s VAL 202 CO -0.11 0.53 0.07 -0.54 0.00 0.00 0.00 175.10 175.05 3gua s LYS 203 N 0.45 3.66 0.13 2.72 1.02 0.42 -0.58 119.74 127.56 3gua s LYS 203 Ca -0.12 -0.47 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 3gua s LYS 203 Cb -0.16 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 3gua s LYS 203 CO 0.05 -0.16 0.04 -0.59 -0.92 0.00 0.00 175.35 173.77 3gua s PHE 204 N 1.54 0.90 0.20 3.18 -0.12 -0.15 0.66 117.98 124.19 3gua s PHE 204 Ca 0.06 -1.18 -0.14 0.00 -0.05 0.00 0.00 56.93 55.62 3gua s PHE 204 Cb -0.15 -0.51 0.01 0.00 -0.63 0.00 0.00 43.02 41.74 3gua s PHE 204 CO 0.03 -0.45 0.45 -0.98 -0.05 0.00 0.00 175.22 174.22 3gua s ARG 205 N -4.01 1.37 0.45 1.99 1.70 -0.96 -0.19 118.95 119.29 3gua s ARG 205 Ca 0.23 -1.06 -0.24 0.00 -0.47 0.00 0.00 55.73 54.19 3gua s ARG 205 Cb 0.07 0.47 -0.08 0.00 -0.57 0.00 0.00 34.95 34.84 3gua s ARG 205 CO 0.01 -0.56 1.24 -1.21 -1.08 0.00 0.00 175.30 173.70 3gua s GLU 206 N -3.94 3.78 0.04 3.89 2.02 0.40 -1.11 118.70 123.78 3gua s GLU 206 Ca 0.15 1.97 -0.36 0.00 0.02 0.00 0.00 54.97 56.76 3gua s GLU 206 Cb 0.00 -2.54 -0.15 0.00 0.10 0.00 0.00 34.13 31.55 3gua s GLU 206 CO 0.01 -0.59 1.58 -2.13 0.02 0.00 0.00 175.26 174.15 3gua n ARG 207 N -0.28 1.72 0.00 1.61 0.63 -0.48 -4.71 116.66 115.15 3gua n ARG 207 Ca 0.06 0.62 0.15 0.00 -0.92 0.00 0.00 57.85 57.76 3gua n ARG 207 Cb 0.46 -2.36 0.71 0.00 0.45 0.00 0.00 32.46 31.72 3gua n ARG 207 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66