#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 1.11 0.04 2.11 -1.99 -2.05 -1.95 116.97 114.24 3gua h TYR -7 Ca 0.00 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.63 3gua h TYR -7 Cb 0.00 -0.33 -0.00 0.00 2.00 0.00 0.00 36.73 38.40 3gua h TYR -7 CO 0.00 0.87 -0.03 0.87 -0.00 0.00 0.00 178.16 179.88 3gua h LYS -6 N 1.05 -0.07 0.00 4.88 1.57 -2.05 0.13 116.57 122.08 3gua h LYS -6 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3gua h LYS -6 Cb 0.27 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3gua h LYS -6 CO -0.01 -0.04 0.00 -0.40 -0.57 0.00 0.00 179.45 178.43 3gua n ASP -5 N -5.13 0.50 -0.03 0.86 3.85 -1.21 0.04 116.55 115.44 3gua n ASP -5 Ca -0.07 0.57 -0.15 0.00 -0.71 0.00 0.00 54.79 54.43 3gua n ASP -5 Cb 0.06 -0.70 -0.10 0.00 -1.35 0.00 0.00 41.12 39.03 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 0.00 0.30 0.11 -1.12 3.32 -0.89 -2.60 116.42 115.54 3gua h ASP -4 Ca 0.00 -0.68 -0.06 0.00 0.02 0.00 0.00 57.03 56.31 3gua h ASP -4 Cb 0.54 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3gua h ASP -4 CO 0.00 0.93 -0.21 -0.78 -1.72 0.00 0.00 179.24 177.46 3gua h ASP -3 N -0.31 0.19 0.12 6.45 1.82 -0.44 -2.09 116.42 122.17 3gua h ASP -3 Ca -0.02 -0.05 -0.15 0.00 -0.39 0.00 0.00 57.03 56.42 3gua h ASP -3 Cb 0.94 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 3gua h ASP -3 CO 0.05 0.42 -0.54 0.44 -1.61 0.00 0.00 179.24 178.00 3gua h ASP -2 N 0.19 0.50 -0.09 2.28 3.32 -0.43 -0.70 116.42 121.50 3gua h ASP -2 Ca 0.03 -0.27 -0.20 0.00 0.02 0.00 0.00 57.03 56.61 3gua h ASP -2 Cb 0.49 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3gua h ASP -2 CO 0.03 0.95 -0.71 0.11 -1.72 0.00 0.00 179.24 177.90 3gua h LYS -1 N 0.35 0.72 -0.65 3.56 1.57 -1.25 -2.83 116.57 118.04 3gua h LYS -1 Ca 0.01 -0.55 0.01 0.00 -1.87 0.00 0.00 60.65 58.24 3gua h LYS -1 Cb 1.06 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3gua h LYS -1 CO 0.10 1.17 0.43 -0.07 -0.57 0.00 0.00 179.45 180.50 3gua h LEU 0 N 0.51 0.74 -0.14 2.94 3.38 -1.32 -1.45 115.31 119.97 3gua h LEU 0 Ca -0.03 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3gua h LEU 0 Cb 1.32 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 3gua h LEU 0 CO 0.14 0.54 -0.14 -0.74 0.09 0.00 0.00 178.44 178.33 3gua h HIS 1 N 0.88 -0.34 0.00 1.13 2.76 -1.14 -0.60 115.15 117.84 3gua h HIS 1 Ca 0.24 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3gua h HIS 1 Cb -0.10 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 3gua h HIS 1 CO -0.03 -0.20 -0.31 0.66 -1.30 0.00 0.00 177.93 176.75 3gua h SER 2 N -0.16 0.00 -0.10 3.26 4.64 -1.22 -1.70 113.55 118.28 3gua h SER 2 Ca 0.10 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 3gua h SER 2 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3gua h SER 2 CO -0.24 0.31 -0.10 1.56 -0.87 0.00 0.00 176.83 177.49 3gua h GLN 3 N 0.00 0.24 -0.69 4.77 4.20 -0.94 -2.80 115.11 119.91 3gua h GLN 3 Ca -0.00 -0.13 0.07 0.00 0.06 0.00 0.00 58.65 58.65 3gua h GLN 3 Cb 0.55 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.27 3gua h GLN 3 CO 0.04 0.66 0.37 0.00 -0.67 0.00 0.00 178.83 179.23 3gua h ALA 4 N 0.58 0.93 -0.40 3.87 0.00 -0.78 -0.48 119.26 122.97 3gua h ALA 4 Ca 0.02 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gua h ALA 4 Cb 0.62 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3gua h ALA 4 CO 0.02 0.02 0.17 -0.91 0.00 0.00 0.00 179.25 178.55 3gua h ASN 5 N 0.66 0.22 -0.46 0.00 2.35 -1.32 0.62 115.58 117.66 3gua h ASN 5 Ca 0.32 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 56.04 3gua h ASN 5 Cb 0.25 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3gua h ASN 5 CO -0.21 0.17 0.06 0.25 -1.65 0.00 0.00 177.43 176.04 3gua h LEU 6 N 0.35 0.74 -0.48 1.61 5.85 -1.15 -0.83 115.31 121.40 3gua h LEU 6 Ca 0.18 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3gua h LEU 6 Cb 0.13 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3gua h LEU 6 CO -0.16 0.82 0.18 -0.03 -0.34 0.00 0.00 178.44 178.92 3gua h MET 7 N 0.63 0.36 -0.07 1.25 4.05 -0.74 0.65 114.93 121.07 3gua h MET 7 Ca 0.14 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.56 3gua h MET 7 Cb 0.41 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 3gua h MET 7 CO 0.01 0.24 -0.07 -0.09 0.23 0.00 0.00 176.91 177.23 3gua h ARG 8 N 0.37 -0.09 -0.01 0.39 2.43 -0.64 0.55 114.38 117.37 3gua h ARG 8 Ca 0.23 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3gua h ARG 8 Cb 0.22 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3gua h ARG 8 CO -0.22 -0.06 -0.03 1.25 -1.51 0.00 0.00 179.97 179.40 3gua h LEU 9 N -0.10 -0.08 -0.35 3.80 5.85 -0.55 0.50 115.31 124.39 3gua h LEU 9 Ca 0.05 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3gua h LEU 9 Cb 0.17 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3gua h LEU 9 CO -0.12 -0.04 0.17 0.11 -0.34 0.00 0.00 178.44 178.22 3gua h LYS 10 N -0.05 0.50 -0.75 1.25 1.57 -0.74 0.11 116.57 118.45 3gua h LYS 10 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3gua h LYS 10 Cb 0.07 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3gua h LYS 10 CO -0.03 0.44 0.49 1.03 -0.57 0.00 0.00 179.45 180.81 3gua h SER 11 N 0.43 0.88 -0.44 0.86 0.87 -0.71 -0.38 113.55 115.06 3gua h SER 11 Ca 0.12 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 3gua h SER 11 Cb 0.10 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3gua h SER 11 CO -0.02 0.65 0.09 0.44 -0.53 0.00 0.00 176.83 177.46 3gua h ASP 12 N 1.03 0.69 -0.65 6.23 3.32 -0.61 -1.46 116.42 124.98 3gua h ASP 12 Ca 0.28 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3gua h ASP 12 Cb -0.10 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 3gua h ASP 12 CO -0.06 0.77 0.10 -0.07 -1.72 0.00 0.00 179.24 178.26 3gua h LEU 13 N 0.59 1.04 0.05 1.55 3.38 -0.46 -2.68 115.31 118.78 3gua h LEU 13 Ca 0.14 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.68 3gua h LEU 13 Cb 0.36 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.85 3gua h LEU 13 CO 0.01 1.04 -0.67 0.15 0.09 0.00 0.00 178.44 179.05 3gua h PHE 14 N 1.00 0.57 0.00 1.13 3.57 -1.06 -3.28 116.94 118.87 3gua h PHE 14 Ca 0.20 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 61.35 3gua h PHE 14 Cb 0.45 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3gua h PHE 14 CO 0.03 1.20 0.00 0.09 -2.23 0.00 0.00 178.31 177.41 3gua n ASN 15 N -4.19 0.00 -4.75 0.41 3.02 -0.55 -4.88 115.26 104.31 3gua n ASN 15 Ca -0.12 -0.97 -0.41 0.00 -0.03 0.00 0.00 54.58 53.05 3gua n ASN 15 Cb 0.73 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.87 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 -2.00 4.26 1.02 3.52 1.70 -1.01 -4.95 118.95 121.49 3gua s ARG 16 Ca 0.31 2.33 -0.12 0.00 -0.47 0.00 0.00 55.73 57.78 3gua s ARG 16 Cb 0.14 -3.09 0.20 0.00 -0.57 0.00 0.00 34.95 31.64 3gua s ARG 16 CO 0.24 -0.42 1.08 0.45 -1.08 0.00 0.00 175.30 175.57 3gua s SER 17 N 0.25 2.31 0.00 -2.89 0.15 -1.26 -2.59 113.70 109.67 3gua s SER 17 Ca 0.58 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.59 3gua s SER 17 Cb -0.42 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3gua s SER 17 CO 0.46 -3.35 0.00 -2.65 1.20 0.00 0.00 173.24 168.90 3gua n PRO 18 N -4.34 -1.40 0.00 5.44 -0.02 -1.26 -4.82 135.00 128.61 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 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 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 -0.51 0.00 0.00 -0.52 0.00 -1.07 -4.17 117.12 110.85 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 0.10 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 -0.91 3.17 4.19 -1.26 -4.93 117.16 117.42 3gua n TYR 20 Ca 0.00 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.09 3gua n TYR 20 Cb 0.00 0.00 0.23 0.00 0.49 0.00 0.00 39.34 40.06 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 2.94 0.00 2.98 -0.04 -1.26 -4.99 135.00 134.63 3gua n PRO 21 Ca 0.00 -2.76 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 3gua n PRO 21 Cb 0.00 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 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 -0.46 -1.15 3.75 0.55 0.00 -1.26 -4.96 105.19 101.66 3gua n GLY 22 Ca 0.44 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.10 3.06 0.32 1.61 0.04 -1.26 -5.04 135.00 130.62 3gua s PRO 23 Ca 0.00 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.08 3gua s PRO 23 Cb 0.00 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3gua s PRO 23 CO 0.00 -1.18 0.20 0.95 0.04 0.00 0.00 177.00 177.01 3gua s THR 24 N -1.45 0.21 0.18 1.26 -4.23 -1.16 -4.96 115.64 105.48 3gua s THR 24 Ca 0.75 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.13 3gua s THR 24 Cb -0.35 -2.48 0.08 0.00 1.34 0.00 0.00 72.50 71.10 3gua s THR 24 CO 0.39 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 176.38 3gua h LYS 25 N 2.15 0.52 0.00 3.99 1.57 -1.92 -1.88 116.57 121.00 3gua h LYS 25 Ca -0.31 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 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 0.47 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 179.44 3gua n ASP 26 N -4.86 0.00 -2.99 0.86 8.00 -1.26 -4.06 116.55 112.24 3gua n ASP 26 Ca 0.05 0.43 -0.14 0.00 0.71 0.00 0.00 54.79 55.83 3gua n ASP 26 Cb 0.12 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 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 -1.47 0.59 -4.33 -2.24 2.03 -0.87 -5.14 116.55 105.12 3gua n ASP 27 Ca 0.06 -2.98 -0.29 0.00 0.52 0.00 0.00 54.79 52.10 3gua n ASP 27 Cb 0.26 -0.30 0.20 0.00 -0.72 0.00 0.00 41.12 40.55 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 -2.26 -0.10 -0.03 -0.67 0.04 -0.76 -3.01 135.00 128.21 3gua s PRO 28 Ca 0.34 0.18 -0.07 0.00 0.04 0.00 0.00 61.00 61.50 3gua s PRO 28 Cb 0.37 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 33.22 3gua s PRO 28 CO -0.05 -3.01 0.15 -1.17 0.04 0.00 0.00 177.00 172.96 3gua s LEU 29 N -6.54 1.47 -0.17 -3.56 2.96 0.24 -4.92 118.68 108.15 3gua s LEU 29 Ca 0.68 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3gua s LEU 29 Cb -0.14 0.63 -0.01 0.00 0.50 0.00 0.00 46.19 47.18 3gua s LEU 29 CO 0.56 -0.23 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.37 3gua s THR 30 N -0.73 3.14 -0.17 3.68 2.01 -1.26 -0.45 115.64 121.85 3gua s THR 30 Ca -0.08 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 3gua s THR 30 Cb -0.05 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 3gua s THR 30 CO 0.01 0.48 0.03 -0.69 -0.69 0.00 0.00 174.62 173.77 3gua s VAL 31 N 0.88 4.51 -0.21 3.82 1.01 0.81 -4.41 120.40 126.82 3gua s VAL 31 Ca -0.02 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 3gua s VAL 31 Cb -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 3gua s VAL 31 CO 0.00 0.47 0.20 -0.89 0.00 0.00 0.00 175.10 174.88 3gua s THR 32 N 0.37 5.35 -0.07 3.92 2.01 0.23 -1.24 115.64 126.21 3gua s THR 32 Ca 0.01 0.30 -0.00 0.00 0.31 0.00 0.00 61.69 62.30 3gua s THR 32 Cb -0.13 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3gua s THR 32 CO 0.01 0.37 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.51 3gua s LEU 33 N 0.80 3.35 0.02 4.42 1.43 0.09 -1.84 118.68 126.95 3gua s LEU 33 Ca 0.10 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.20 3gua s LEU 33 Cb -0.13 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3gua s LEU 33 CO 0.03 0.37 0.08 -0.83 0.23 0.00 0.00 176.35 176.23 3gua s GLY 34 N -0.86 0.14 -0.11 -3.19 0.00 -0.66 -4.27 107.32 98.37 3gua s GLY 34 Ca 0.13 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.48 3gua s GLY 34 CO 0.02 -0.53 -0.23 -1.36 0.00 0.00 0.00 173.10 171.01 3gua s PHE 35 N -1.88 2.52 -0.41 1.90 0.08 -1.26 -1.14 117.98 117.79 3gua s PHE 35 Ca -0.11 -1.10 -0.13 0.00 0.12 0.00 0.00 56.93 55.70 3gua s PHE 35 Cb -0.06 -1.70 0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3gua s PHE 35 CO -0.01 -0.47 0.28 0.99 -0.10 0.00 0.00 175.22 175.91 3gua s THR 36 N 0.50 4.94 -0.22 0.64 2.01 -0.46 -0.80 115.64 122.24 3gua s THR 36 Ca -0.15 -0.85 -0.22 0.00 0.31 0.00 0.00 61.69 60.78 3gua s THR 36 Cb -0.17 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 3gua s THR 36 CO 0.06 -0.34 0.68 -0.22 -0.69 0.00 0.00 174.62 174.10 3gua s LEU 37 N 1.61 4.10 -0.26 4.42 2.96 -0.92 -0.14 118.68 130.45 3gua s LEU 37 Ca 0.04 0.85 -0.15 0.00 -0.22 0.00 0.00 54.13 54.64 3gua s LEU 37 Cb -0.20 -2.95 -0.14 0.00 0.50 0.00 0.00 46.19 43.39 3gua s LEU 37 CO 0.08 -0.36 -0.22 0.00 -1.32 0.00 0.00 176.35 174.53 3gua n GLN 38 N 5.47 0.59 -3.69 1.98 6.02 0.26 -3.30 117.38 124.71 3gua n GLN 38 Ca 0.01 0.33 -0.13 0.00 -0.01 0.00 0.00 57.00 57.19 3gua n GLN 38 Cb 0.49 -1.55 -0.09 0.00 1.02 0.00 0.00 30.24 30.11 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 -7.33 -0.56 -0.49 1.08 2.15 -0.85 0.26 116.67 110.94 3gua s ASP 39 Ca -0.36 1.08 -0.19 0.00 0.43 0.00 0.00 52.55 53.50 3gua s ASP 39 Cb 0.13 1.08 0.05 0.00 -0.30 0.00 0.00 42.92 43.88 3gua s ASP 39 CO 0.52 -0.19 0.61 -0.63 -0.17 0.00 0.00 175.17 175.32 3gua s ILE 40 N 0.36 4.88 -0.06 4.11 1.01 -1.26 -1.06 121.20 129.18 3gua s ILE 40 Ca -0.01 -0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.01 3gua s ILE 40 Cb -0.04 -4.27 -0.31 0.00 0.01 0.00 0.00 42.46 37.86 3gua s ILE 40 CO -0.00 -0.75 0.88 0.58 0.00 0.00 0.00 174.94 175.65 3gua h VAL 41 N 5.85 1.56 -3.16 2.92 2.07 -1.29 -3.40 116.25 120.80 3gua h VAL 41 Ca -0.27 -2.51 -0.19 0.00 0.82 0.00 0.00 66.70 64.55 3gua h VAL 41 Cb 1.10 3.23 -0.28 0.00 -1.52 0.00 0.00 31.29 33.82 3gua h VAL 41 CO 0.94 0.70 -0.49 -0.75 0.02 0.00 0.00 177.57 177.99 3gua s LYS 42 N -2.40 0.21 -0.34 1.57 2.20 -1.23 -4.90 119.74 114.86 3gua s LYS 42 Ca -0.14 0.39 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 3gua s LYS 42 Cb 0.00 -0.00 0.10 0.00 -1.51 0.00 0.00 37.83 36.42 3gua s LYS 42 CO 0.81 -0.09 0.07 0.00 -0.36 0.00 0.00 175.35 175.78 3gua s ALA 43 N 0.64 2.65 -0.52 3.13 0.00 -1.26 -0.50 121.76 125.90 3gua s ALA 43 Ca -0.04 -2.40 -0.23 0.00 0.00 0.00 0.00 51.96 49.28 3gua s ALA 43 Cb -0.06 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.19 3gua s ALA 43 CO -0.04 -1.70 0.86 0.34 0.00 0.00 0.00 175.76 175.23 3gua s ASP 44 N 0.98 6.34 0.04 0.00 -1.08 0.10 -4.89 116.67 118.17 3gua s ASP 44 Ca 0.11 -0.37 0.27 0.00 -0.52 0.00 0.00 52.55 52.04 3gua s ASP 44 Cb -0.19 -2.40 0.87 0.00 -1.46 0.00 0.00 42.92 39.73 3gua s ASP 44 CO -0.11 -1.11 1.69 -1.54 0.52 0.00 0.00 175.17 174.62 3gua n SER 45 N 7.11 0.33 -0.07 -0.34 3.41 -1.26 -0.89 113.62 121.91 3gua n SER 45 Ca 0.01 0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.99 3gua n SER 45 Cb 0.47 -0.24 0.34 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.67 0.58 0.00 4.04 3.41 -1.26 -4.13 113.62 114.59 3gua n SER 46 Ca 0.06 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3gua n SER 46 Cb 0.36 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.25 0.00 -3.90 6.66 -2.24 -1.20 -5.04 114.28 107.31 3gua n THR 47 Ca 0.08 -0.20 -0.28 0.00 -2.27 0.00 0.00 64.05 61.38 3gua n THR 47 Cb 0.33 1.57 -0.00 0.00 -2.10 0.00 0.00 70.33 70.13 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 -1.77 -4.30 3.42 3.02 -0.07 -4.93 115.26 110.61 3gua n ASN 48 Ca 0.00 -1.04 -0.31 0.00 -0.03 0.00 0.00 54.58 53.20 3gua n ASN 48 Cb 0.14 -3.00 -0.16 0.00 -0.61 0.00 0.00 39.78 36.15 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 -6.49 2.36 -0.01 3.52 2.02 -1.00 -1.47 118.70 117.63 3gua s GLU 49 Ca 0.15 -0.90 0.07 0.00 0.02 0.00 0.00 54.97 54.31 3gua s GLU 49 Cb -0.06 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.02 3gua s GLU 49 CO 0.89 0.48 -0.21 0.08 0.02 0.00 0.00 175.26 176.52 3gua s VAL 50 N -0.40 1.66 -0.29 2.63 1.01 -0.25 -0.72 120.40 124.05 3gua s VAL 50 Ca 0.03 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 3gua s VAL 50 Cb -0.12 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3gua s VAL 50 CO 0.01 0.44 0.07 -1.81 0.00 0.00 0.00 175.10 173.82 3gua s ASP 51 N -0.56 5.08 0.06 3.32 1.11 0.35 -1.60 116.67 124.42 3gua s ASP 51 Ca 0.08 -0.63 0.04 0.00 0.18 0.00 0.00 52.55 52.22 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 -0.16 -0.02 -0.76 1.18 0.00 0.00 175.17 175.40 3gua s LEU 52 N 1.51 3.40 -0.16 1.23 1.43 -0.22 -0.72 118.68 125.15 3gua s LEU 52 Ca 0.03 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3gua s LEU 52 Cb -0.17 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.00 3gua s LEU 52 CO 0.02 0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 175.93 3gua s VAL 53 N -1.20 1.95 0.11 -1.59 1.01 -0.22 -0.68 120.40 119.78 3gua s VAL 53 Ca 0.23 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3gua s VAL 53 Cb -0.12 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3gua s VAL 53 CO 0.14 0.52 0.14 -0.72 0.00 0.00 0.00 175.10 175.19 3gua s TYR 54 N 1.18 0.46 -0.23 5.22 -0.85 -0.81 -0.58 117.35 121.75 3gua s TYR 54 Ca 0.01 -0.88 -0.10 0.00 -0.52 0.00 0.00 57.07 55.58 3gua s TYR 54 Cb -0.14 -0.22 -0.05 0.00 0.38 0.00 0.00 41.96 41.93 3gua s TYR 54 CO -0.09 -0.56 0.15 0.71 -1.52 0.00 0.00 175.55 174.24 3gua s TYR 55 N -3.95 3.34 -0.38 -3.49 4.12 0.80 -1.25 117.35 116.55 3gua s TYR 55 Ca 0.13 0.24 -0.10 0.00 0.02 0.00 0.00 57.07 57.37 3gua s TYR 55 Cb 0.06 -2.24 0.04 0.00 -1.52 0.00 0.00 41.96 38.30 3gua s TYR 55 CO -0.05 0.12 0.20 -2.00 0.02 0.00 0.00 175.55 173.85 3gua s GLU 56 N 0.86 2.75 -0.25 -0.62 2.12 -0.67 -1.36 118.70 121.53 3gua s GLU 56 Ca 0.08 -1.17 -0.13 0.00 0.36 0.00 0.00 54.97 54.11 3gua s GLU 56 Cb -0.13 -3.71 -0.05 0.00 0.26 0.00 0.00 34.13 30.51 3gua s GLU 56 CO 0.03 -0.74 0.26 -1.14 -0.54 0.00 0.00 175.26 173.12 3gua s GLN 57 N 1.51 4.06 -0.03 4.30 0.74 -0.30 -3.23 119.66 126.71 3gua s GLN 57 Ca 0.01 -0.12 0.06 0.00 0.05 0.00 0.00 55.36 55.36 3gua s GLN 57 Cb -0.20 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.30 3gua s GLN 57 CO 0.05 -0.07 -0.21 -0.65 -0.55 0.00 0.00 175.29 173.86 3gua s GLN 58 N 1.44 2.28 -0.04 1.67 -0.21 0.72 -1.66 119.66 123.87 3gua s GLN 58 Ca 0.11 -0.83 -0.03 0.00 0.02 0.00 0.00 55.36 54.64 3gua s GLN 58 Cb -0.15 -2.19 0.01 0.00 1.00 0.00 0.00 33.01 31.69 3gua s GLN 58 CO 0.08 0.59 0.09 0.50 -2.12 0.00 0.00 175.29 174.42 3gua s ARG 59 N -0.67 0.09 0.26 2.91 3.00 -0.77 -1.69 118.95 122.08 3gua s ARG 59 Ca 0.11 0.15 -0.19 0.00 -1.00 0.00 0.00 55.73 54.79 3gua s ARG 59 Cb -0.10 0.00 0.02 0.00 0.00 0.00 0.00 34.95 34.87 3gua s ARG 59 CO -0.00 -0.04 0.65 1.67 0.00 0.00 0.00 175.30 177.58 3gua s TRP 60 N 0.25 -0.12 -0.06 5.12 -2.14 -1.06 -0.60 118.94 120.32 3gua s TRP 60 Ca -0.02 -0.29 -0.00 0.00 2.66 0.00 0.00 56.10 58.45 3gua s TRP 60 Cb -0.03 0.58 0.02 0.00 -3.10 0.00 0.00 33.47 30.95 3gua s TRP 60 CO -0.01 -1.14 -0.03 0.21 -2.66 0.00 0.00 176.95 173.33 3gua s LYS 61 N -3.92 0.79 -0.10 3.25 2.20 -1.26 0.20 119.74 120.91 3gua s LYS 61 Ca 0.12 -0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 3gua s LYS 61 Cb -0.04 -0.95 -0.01 0.00 -1.51 0.00 0.00 37.83 35.32 3gua s LYS 61 CO 0.05 -0.19 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.12 3gua s LEU 62 N 1.41 2.23 0.40 5.43 1.43 0.12 -4.91 118.68 124.79 3gua s LEU 62 Ca -0.03 -0.50 0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3gua s LEU 62 Cb -0.13 -1.45 0.92 0.00 0.03 0.00 0.00 46.19 45.56 3gua s LEU 62 CO -0.03 0.18 1.94 0.78 0.23 0.00 0.00 176.35 179.45 3gua h ASN 63 N 6.56 0.50 0.08 2.29 2.35 -1.89 -1.76 115.58 123.70 3gua h ASN 63 Ca -0.23 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3gua h ASN 63 Cb 1.22 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3gua h ASN 63 CO 0.49 0.29 0.00 -1.54 -1.65 0.00 0.00 177.43 175.02 3gua n SER 64 N -4.49 0.00 -0.48 5.81 3.41 -1.26 -2.05 113.62 114.56 3gua n SER 64 Ca 0.12 -0.54 0.05 0.00 -0.26 0.00 0.00 58.87 58.24 3gua n SER 64 Cb 0.39 -0.06 0.09 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.06 2.32 -4.77 1.04 4.77 -0.66 -4.97 117.00 113.66 3gua n LEU 65 Ca 0.15 -1.49 -0.37 0.00 -0.03 0.00 0.00 56.01 54.27 3gua n LEU 65 Cb 0.09 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3gua n LEU 65 CO 0.13 0.53 0.83 -0.04 -1.33 0.00 0.00 177.39 177.50 3gua s MET 66 N -0.91 3.73 0.16 3.23 -1.94 -0.87 -3.92 119.30 118.77 3gua s MET 66 Ca 0.16 1.77 -0.17 0.00 -1.71 0.00 0.00 55.69 55.74 3gua s MET 66 Cb 0.09 -2.38 0.03 0.00 2.01 0.00 0.00 34.83 34.59 3gua s MET 66 CO 0.13 -0.58 0.45 1.67 -0.01 0.00 0.00 175.02 176.69 3gua s TRP 67 N -1.56 -0.15 -0.43 -0.03 -2.14 -0.14 -4.93 118.94 109.56 3gua s TRP 67 Ca 0.64 -0.17 -0.18 0.00 2.66 0.00 0.00 56.10 59.05 3gua s TRP 67 Cb -0.28 0.31 0.03 0.00 -3.10 0.00 0.00 33.47 30.42 3gua s TRP 67 CO 0.34 -0.79 0.47 0.34 -2.66 0.00 0.00 176.95 174.65 3gua s ASP 68 N -2.84 6.21 0.58 -2.66 2.15 -1.26 -4.66 116.67 114.19 3gua s ASP 68 Ca 0.06 -0.67 0.30 0.00 0.43 0.00 0.00 52.55 52.67 3gua s ASP 68 Cb 0.01 -2.24 1.43 0.00 -0.30 0.00 0.00 42.92 41.82 3gua s ASP 68 CO -0.08 -0.62 1.83 -0.65 -0.17 0.00 0.00 175.17 175.47 3gua h PRO 69 N 8.76 0.00 0.00 4.34 0.11 -1.93 0.28 132.00 143.57 3gua h PRO 69 Ca -0.26 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 3gua h PRO 69 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3gua h PRO 69 CO 0.82 0.00 -0.23 -0.91 -0.21 0.00 0.00 178.00 177.47 3gua h ASN 70 N 0.00 0.00 0.72 -2.05 2.35 -1.92 0.24 115.58 114.92 3gua h ASN 70 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3gua h ASN 70 Cb 1.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.93 3gua h ASN 70 CO -0.00 0.23 -0.31 -0.62 -1.65 0.00 0.00 177.43 175.08 3gua n GLU 71 N -4.17 0.02 -2.58 0.81 1.02 0.99 -4.27 120.64 112.46 3gua n GLU 71 Ca -0.02 0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.93 3gua n GLU 71 Cb 0.29 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.54 2.41 -3.88 -0.32 4.01 -0.84 -4.97 117.16 112.03 3gua n TYR 72 Ca 0.06 -3.01 -0.27 0.00 -0.16 0.00 0.00 57.90 54.53 3gua n TYR 72 Cb 0.34 -0.22 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 -0.35 2.56 2.72 0.00 -1.19 -2.06 105.19 106.58 3gua n GLY 73 Ca 0.26 0.15 -0.10 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 -2.93 -4.83 -4.71 1.61 4.13 0.79 -4.95 115.26 104.38 3gua n ASN 74 Ca -0.16 0.26 -0.42 0.00 1.68 0.00 0.00 54.58 55.94 3gua n ASN 74 Cb 0.61 -3.72 -0.03 0.00 -1.54 0.00 0.00 39.78 35.11 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 -1.82 2.90 -0.27 2.41 1.01 -0.88 -4.91 121.20 119.65 3gua s ILE 75 Ca 0.00 0.55 0.10 0.00 0.00 0.00 0.00 60.65 61.30 3gua s ILE 75 Cb 0.00 -3.35 -0.13 0.00 0.01 0.00 0.00 42.46 38.98 3gua s ILE 75 CO 0.00 0.02 0.34 0.35 0.00 0.00 0.00 174.94 175.65 3gua n THR 76 N 4.27 0.00 -3.58 2.92 -2.24 -1.26 -4.37 114.28 110.02 3gua n THR 76 Ca 0.14 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 3gua n THR 76 Cb 0.40 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.51 -0.39 0.04 3.42 -4.77 -1.26 -1.34 116.67 109.85 3gua s ASP 77 Ca 0.00 0.46 -0.02 0.00 -3.30 0.00 0.00 52.55 49.69 3gua s ASP 77 Cb 0.07 0.36 -0.03 0.00 -1.09 0.00 0.00 42.92 42.23 3gua s ASP 77 CO 0.42 -0.34 -0.00 0.72 0.70 0.00 0.00 175.17 176.67 3gua s PHE 78 N -1.01 0.35 -0.05 2.11 -0.12 -0.05 -4.98 117.98 114.22 3gua s PHE 78 Ca -0.02 -0.73 -0.13 0.00 -0.05 0.00 0.00 56.93 55.99 3gua s PHE 78 Cb -0.01 -0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.07 3gua s PHE 78 CO 0.01 -0.30 0.35 1.03 -0.05 0.00 0.00 175.22 176.26 3gua s ARG 79 N -2.65 3.91 0.05 1.99 3.00 -1.26 -0.86 118.95 123.13 3gua s ARG 79 Ca -0.05 0.27 -0.07 0.00 0.00 0.00 0.00 55.73 55.88 3gua s ARG 79 Cb -0.01 -3.26 -0.01 0.00 0.00 0.00 0.00 34.95 31.67 3gua s ARG 79 CO -0.05 0.61 0.15 -0.08 0.00 0.00 0.00 175.30 175.92 3gua s THR 80 N -0.73 0.13 0.34 0.02 -1.32 -0.75 -5.00 115.64 108.34 3gua s THR 80 Ca 0.21 -1.10 -0.29 0.00 -1.21 0.00 0.00 61.69 59.30 3gua s THR 80 Cb -0.15 -1.07 -0.11 0.00 -1.51 0.00 0.00 72.50 69.66 3gua s THR 80 CO 0.10 -0.61 1.44 -0.55 -2.21 0.00 0.00 174.62 172.79 3gua s SER 81 N -2.37 6.50 0.61 8.08 0.15 -1.26 -1.17 113.70 124.24 3gua s SER 81 Ca -0.01 2.90 0.39 0.00 0.70 0.00 0.00 55.95 59.92 3gua s SER 81 Cb 0.01 -2.65 1.96 0.00 -1.71 0.00 0.00 66.02 63.63 3gua s SER 81 CO -0.07 -0.76 2.21 0.00 1.20 0.00 0.00 173.24 175.82 3gua h ALA 82 N 3.50 1.04 0.00 5.45 0.00 -0.91 0.24 119.26 128.59 3gua h ALA 82 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 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 0.67 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3gua n ALA 83 N -2.11 2.08 1.02 0.00 0.00 -1.26 -3.11 120.51 117.12 3gua n ALA 83 Ca -0.02 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3gua n ALA 83 Cb 0.17 -1.41 0.50 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.83 0.17 -4.10 0.00 8.00 0.07 -4.89 116.55 113.99 3gua n ASP 84 Ca 0.05 0.22 -0.09 0.00 0.71 0.00 0.00 54.79 55.67 3gua n ASP 84 Cb 0.31 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.98 0.41 0.36 0.53 -4.36 -1.18 -5.06 121.20 108.91 3gua s ILE 85 Ca 0.14 -1.60 -0.28 0.00 -0.26 0.00 0.00 60.65 58.64 3gua s ILE 85 Cb 0.19 -1.24 -0.11 0.00 1.25 0.00 0.00 42.46 42.54 3gua s ILE 85 CO 0.58 -0.79 1.46 0.86 0.24 0.00 0.00 174.94 177.29 3gua s TRP 86 N -3.06 2.71 0.07 1.37 -0.00 -1.26 -4.94 118.94 113.83 3gua s TRP 86 Ca 0.03 1.18 0.03 0.00 -0.00 0.00 0.00 56.10 57.33 3gua s TRP 86 Cb 0.02 -3.95 -0.03 0.00 -0.00 0.00 0.00 33.47 29.50 3gua s TRP 86 CO -0.05 -2.80 -0.09 0.95 -0.00 0.00 0.00 176.95 174.95 3gua s THR 87 N -0.99 0.74 0.56 5.86 -4.23 -1.26 -5.10 115.64 111.22 3gua s THR 87 Ca 0.53 -1.39 -0.17 0.00 -1.18 0.00 0.00 61.69 59.49 3gua s THR 87 Cb -0.45 -1.03 -0.05 0.00 1.34 0.00 0.00 72.50 72.30 3gua s THR 87 CO 0.59 -0.48 1.04 -2.16 -0.54 0.00 0.00 174.62 173.07 3gua s PRO 88 N -2.27 3.53 -0.50 3.99 0.04 -1.26 -4.93 135.00 133.61 3gua s PRO 88 Ca -0.02 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 3gua s PRO 88 Cb -0.06 -2.06 0.11 0.00 0.04 0.00 0.00 34.50 32.53 3gua s PRO 88 CO -0.00 -0.64 2.64 -0.40 0.04 0.00 0.00 177.00 178.64 3gua n ASP 89 N -1.74 6.61 -4.65 6.66 5.75 -1.26 -4.97 116.55 122.95 3gua n ASP 89 Ca 0.08 -3.28 -0.43 0.00 -0.01 0.00 0.00 54.79 51.15 3gua n ASP 89 Cb 0.53 -1.20 -0.02 0.00 -1.03 0.00 0.00 41.12 39.39 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 -2.62 4.01 0.09 2.12 -1.09 -1.26 -2.63 121.20 119.82 3gua s ILE 90 Ca 0.57 1.20 0.07 0.00 -2.23 0.00 0.00 60.65 60.26 3gua s ILE 90 Cb 0.39 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 3gua s ILE 90 CO -0.23 -0.20 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.19 3gua s THR 91 N 4.04 1.56 0.08 2.92 2.01 0.12 -4.88 115.64 121.50 3gua s THR 91 Ca 0.62 -1.47 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 3gua s THR 91 Cb -0.24 -1.43 -0.06 0.00 0.01 0.00 0.00 72.50 70.78 3gua s THR 91 CO 0.21 -0.09 1.19 0.00 -0.69 0.00 0.00 174.62 175.24 3gua s ALA 92 N -1.18 3.39 -0.30 7.40 0.00 -1.26 -1.38 121.76 128.43 3gua s ALA 92 Ca 0.04 0.85 0.23 0.00 0.00 0.00 0.00 51.96 53.08 3gua s ALA 92 Cb -0.10 -3.43 0.45 0.00 0.00 0.00 0.00 23.12 20.04 3gua s ALA 92 CO 0.04 -0.40 1.64 1.88 0.00 0.00 0.00 175.76 178.91 3gua h TYR 93 N 6.50 0.00 -0.73 0.00 0.05 -1.12 -3.35 116.97 118.32 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 0.09 -0.92 -1.13 -1.05 0.00 0.00 178.16 175.81 3gua n SER 94 N -3.13 3.76 -4.84 3.88 3.41 -1.26 -5.02 113.62 110.40 3gua n SER 94 Ca 0.03 -3.19 -0.31 0.00 -0.26 0.00 0.00 58.87 55.14 3gua n SER 94 Cb 0.53 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 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 -3.64 6.07 0.00 4.04 1.04 -1.26 -1.66 113.70 118.30 3gua s SER 95 Ca 0.43 1.55 0.03 0.00 0.48 0.00 0.00 55.95 58.44 3gua s SER 95 Cb 0.38 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 3gua s SER 95 CO -0.00 -0.97 0.20 0.35 0.98 0.00 0.00 173.24 173.79 3gua n THR 96 N -2.46 0.00 -3.97 2.02 -2.24 0.74 -4.80 114.28 103.57 3gua n THR 96 Ca 0.07 -0.43 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 3gua n THR 96 Cb 0.54 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.19 0.39 0.27 -0.78 1.81 -1.24 -5.04 118.95 113.16 3gua s ARG 97 Ca 0.02 -0.66 -0.31 0.00 -1.72 0.00 0.00 55.73 53.06 3gua s ARG 97 Cb 0.03 0.14 -0.13 0.00 -0.45 0.00 0.00 34.95 34.54 3gua s ARG 97 CO 0.13 -0.07 1.49 -2.30 -0.68 0.00 0.00 175.30 173.86 3gua n PRO 98 N 1.35 2.35 -1.64 3.54 -0.02 -1.26 -4.62 135.00 134.70 3gua n PRO 98 Ca -0.22 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 3gua n PRO 98 Cb 0.56 -2.55 0.01 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 1.96 2.48 -4.31 -1.45 0.31 -1.26 -4.89 118.33 111.18 3gua n VAL 99 Ca 0.10 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.59 3gua n VAL 99 Cb 0.34 -1.29 -0.12 0.00 -0.91 0.00 0.00 33.84 31.86 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 -2.07 3.70 -0.17 5.55 -0.21 -0.62 -4.99 119.66 120.86 3gua s GLN 100 Ca 0.62 -0.50 -0.21 0.00 0.02 0.00 0.00 55.36 55.30 3gua s GLN 100 Cb -0.55 -2.97 -0.03 0.00 1.00 0.00 0.00 33.01 30.46 3gua s GLN 100 CO 0.57 0.21 0.61 0.08 -2.12 0.00 0.00 175.29 174.64 3gua s VAL 101 N 0.45 5.05 -0.24 1.09 1.01 -1.26 -1.07 120.40 125.44 3gua s VAL 101 Ca -0.03 1.17 0.22 0.00 0.00 0.00 0.00 61.98 63.34 3gua s VAL 101 Cb -0.14 -3.93 -0.31 0.00 0.00 0.00 0.00 36.38 32.00 3gua s VAL 101 CO 0.02 0.16 0.59 0.18 0.00 0.00 0.00 175.10 176.05 3gua n LEU 102 N 4.74 0.23 -4.66 3.92 4.77 0.23 -4.98 117.00 121.25 3gua n LEU 102 Ca -0.02 -0.09 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 3gua n LEU 102 Cb 0.50 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 3gua n LEU 102 CO 0.44 0.05 -0.26 -0.94 -1.33 0.00 0.00 177.39 175.34 3gua s SER 103 N -4.23 4.20 0.78 -1.43 1.04 -1.23 -4.94 113.70 107.90 3gua s SER 103 Ca -0.04 -1.06 -0.14 0.00 0.48 0.00 0.00 55.95 55.19 3gua s SER 103 Cb 0.14 -0.51 0.07 0.00 0.10 0.00 0.00 66.02 65.82 3gua s SER 103 CO 0.90 -0.34 1.19 -2.65 0.98 0.00 0.00 173.24 173.32 3gua n PRO 104 N -1.02 0.32 -2.96 4.02 -0.02 -1.26 -4.85 135.00 129.22 3gua n PRO 104 Ca -0.04 0.18 -0.44 0.00 -2.02 0.00 0.00 63.50 61.19 3gua n PRO 104 Cb 0.63 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 -3.01 3.86 -4.69 -0.52 1.13 -1.26 -4.81 117.38 108.09 3gua n GLN 105 Ca 0.14 -4.21 -0.25 0.00 -1.94 0.00 0.00 57.00 50.75 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 -1.02 1.23 0.25 5.09 1.01 -1.26 -0.21 121.20 126.30 3gua s ILE 106 Ca 0.35 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.49 3gua s ILE 106 Cb 0.00 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 3gua s ILE 106 CO 0.02 0.36 0.09 0.00 0.00 0.00 0.00 174.94 175.41 3gua s ALA 107 N 0.22 3.37 -0.19 9.38 0.00 -0.32 -4.57 121.76 129.65 3gua s ALA 107 Ca -0.06 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 3gua s ALA 107 Cb -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.97 3gua s ALA 107 CO 0.02 0.27 -0.14 0.08 0.00 0.00 0.00 175.76 176.00 3gua s VAL 108 N -2.20 2.66 -0.12 0.00 1.01 0.03 -1.81 120.40 119.97 3gua s VAL 108 Ca 0.32 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3gua s VAL 108 Cb -0.07 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3gua s VAL 108 CO 0.22 0.50 -0.01 -0.69 0.00 0.00 0.00 175.10 175.12 3gua s VAL 109 N 1.20 4.15 0.19 2.92 1.01 -0.04 -0.68 120.40 129.16 3gua s VAL 109 Ca 0.02 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.81 3gua s VAL 109 Cb -0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3gua s VAL 109 CO -0.06 0.54 -0.10 -0.89 0.00 0.00 0.00 175.10 174.60 3gua s THR 110 N -0.24 3.17 0.60 3.92 2.01 -0.35 -0.88 115.64 123.87 3gua s THR 110 Ca 0.05 -1.69 0.30 0.00 0.31 0.00 0.00 61.69 60.67 3gua s THR 110 Cb -0.12 -2.58 0.36 0.00 0.01 0.00 0.00 72.50 70.17 3gua s THR 110 CO 0.02 -0.13 2.15 1.12 -0.69 0.00 0.00 174.62 177.10 3gua h HIS 111 N 2.86 0.00 0.00 4.92 2.07 -1.51 0.26 115.15 123.75 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 0.65 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.11 3gua n ASP 112 N -3.70 0.00 0.00 3.10 5.75 -1.26 -0.96 116.55 119.48 3gua n ASP 112 Ca -0.00 -0.84 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 3gua n ASP 112 Cb 0.25 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 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 0.77 0.74 3.76 6.12 0.00 0.90 -4.65 105.19 112.83 3gua n GLY 113 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.53 7.31 -0.00 1.61 1.04 -1.21 -0.70 113.70 119.22 3gua s SER 114 Ca 0.00 1.56 0.03 0.00 0.48 0.00 0.00 55.95 58.03 3gua s SER 114 Cb 0.00 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 3gua s SER 114 CO 0.00 0.10 -0.08 -0.69 0.98 0.00 0.00 173.24 173.55 3gua s VAL 115 N -0.57 3.52 -0.08 5.02 1.01 0.13 -1.21 120.40 128.21 3gua s VAL 115 Ca 0.38 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3gua s VAL 115 Cb -0.22 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.67 3gua s VAL 115 CO 0.25 0.42 -0.10 -0.32 0.00 0.00 0.00 175.10 175.35 3gua s MET 116 N -1.31 1.62 -0.10 2.72 1.75 0.15 -2.57 119.30 121.55 3gua s MET 116 Ca 0.16 -0.35 -0.01 0.00 -1.25 0.00 0.00 55.69 54.24 3gua s MET 116 Cb -0.11 -1.47 0.03 0.00 2.84 0.00 0.00 34.83 36.12 3gua s MET 116 CO 0.06 -0.09 -0.01 0.12 -0.65 0.00 0.00 175.02 174.45 3gua s PHE 117 N 1.09 0.89 -0.58 4.11 5.36 -0.68 -0.79 117.98 127.38 3gua s PHE 117 Ca -0.07 -0.41 0.06 0.00 -0.96 0.00 0.00 56.93 55.55 3gua s PHE 117 Cb -0.14 -0.93 0.20 0.00 -0.34 0.00 0.00 43.02 41.81 3gua s PHE 117 CO -0.01 -0.42 0.54 -0.89 -1.46 0.00 0.00 175.22 172.98 3gua n ILE 118 N 5.09 0.90 -2.59 3.12 5.41 -1.26 -0.20 119.36 129.83 3gua n ILE 118 Ca -0.08 -4.54 -0.40 0.00 1.00 0.00 0.00 62.75 58.72 3gua n ILE 118 Cb 0.49 -2.02 -0.05 0.00 -0.71 0.00 0.00 39.64 37.35 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 -1.40 4.73 0.04 0.38 0.04 -1.20 -4.78 135.00 132.82 3gua s PRO 119 Ca 0.32 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 3gua s PRO 119 Cb 0.06 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 3gua s PRO 119 CO -0.12 0.34 0.75 0.00 0.04 0.00 0.00 177.00 178.00 3gua s ALA 120 N -1.12 3.38 0.04 8.56 0.00 -1.26 -1.67 121.76 129.69 3gua s ALA 120 Ca 0.43 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3gua s ALA 120 Cb -0.29 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3gua s ALA 120 CO 0.37 0.08 -0.07 -0.65 0.00 0.00 0.00 175.76 175.49 3gua s GLN 121 N -0.07 0.52 -0.20 0.00 -0.21 -0.38 0.78 119.66 120.10 3gua s GLN 121 Ca 0.38 -0.78 -0.05 0.00 0.02 0.00 0.00 55.36 54.93 3gua s GLN 121 Cb -0.20 -0.22 -0.03 0.00 1.00 0.00 0.00 33.01 33.57 3gua s GLN 121 CO 0.22 0.03 0.00 0.50 -2.12 0.00 0.00 175.29 173.92 3gua s ARG 122 N -1.75 3.64 -0.10 2.91 3.52 -0.23 -1.92 118.95 125.02 3gua s ARG 122 Ca -0.09 -0.51 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 3gua s ARG 122 Cb -0.09 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.23 3gua s ARG 122 CO -0.00 0.03 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.14 3gua s LEU 123 N 0.94 1.98 -0.23 -0.88 2.96 0.14 -1.58 118.68 122.01 3gua s LEU 123 Ca 0.01 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.32 3gua s LEU 123 Cb -0.14 -1.28 -0.05 0.00 0.50 0.00 0.00 46.19 45.22 3gua s LEU 123 CO 0.02 0.11 0.13 -0.44 -1.32 0.00 0.00 176.35 174.85 3gua s SER 124 N 0.52 5.88 0.13 3.68 0.01 -1.26 -1.05 113.70 121.60 3gua s SER 124 Ca -0.15 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.15 3gua s SER 124 Cb -0.17 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 3gua s SER 124 CO 0.06 0.06 0.03 0.72 0.41 0.00 0.00 173.24 174.52 3gua s PHE 125 N 1.05 0.88 -0.06 2.43 -0.12 -0.63 -0.18 117.98 121.35 3gua s PHE 125 Ca 0.06 -1.16 -0.30 0.00 -0.05 0.00 0.00 56.93 55.49 3gua s PHE 125 Cb -0.14 -0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 41.69 3gua s PHE 125 CO 0.04 -0.42 1.54 -1.64 -0.05 0.00 0.00 175.22 174.68 3gua s MET 126 N -3.99 4.21 -0.29 1.99 -1.94 -0.66 -1.09 119.30 117.52 3gua s MET 126 Ca 0.21 2.06 -0.13 0.00 -1.71 0.00 0.00 55.69 56.12 3gua s MET 126 Cb 0.07 -3.86 0.13 0.00 2.01 0.00 0.00 34.83 33.18 3gua s MET 126 CO 0.00 -0.77 0.79 0.00 -0.01 0.00 0.00 175.02 175.03 3gua s ASP 128 N 2.32 6.48 -0.06 0.00 2.15 -1.26 -3.35 116.67 122.94 3gua s ASP 128 Ca -0.06 0.22 0.05 0.00 0.43 0.00 0.00 52.55 53.19 3gua s ASP 128 Cb -0.08 -2.36 0.26 0.00 -0.30 0.00 0.00 42.92 40.43 3gua s ASP 128 CO -0.18 -0.68 0.97 -0.81 -0.17 0.00 0.00 175.17 174.29 3gua n PRO 129 N 6.27 2.12 -1.68 4.34 -0.04 -1.26 -4.71 135.00 140.03 3gua n PRO 129 Ca 0.01 -1.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.02 3gua n PRO 129 Cb 0.48 -1.62 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.02 -0.63 0.52 -1.04 -1.26 -1.72 114.28 110.38 3gua n THR 130 Ca 0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3gua n THR 130 Cb 0.48 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 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 3.52 0.76 0.24 3.41 0.00 -1.26 -4.41 105.19 107.45 3gua n GLY 131 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 0.78 0.00 1.61 3.04 -1.53 -1.45 116.25 118.70 3gua h VAL 132 Ca 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 3gua h VAL 132 Cb 0.00 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 3gua h VAL 132 CO 0.00 0.19 0.00 -0.90 -1.01 0.00 0.00 177.57 175.85 3gua n ASP 133 N -3.78 0.00 -4.34 3.17 5.75 -1.26 -1.08 116.55 115.00 3gua n ASP 133 Ca -0.02 -0.94 -0.22 0.00 -0.01 0.00 0.00 54.79 53.61 3gua n ASP 133 Cb 0.30 -0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.39 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 -1.00 2.51 0.01 -1.12 3.41 -0.56 -4.96 113.62 111.90 3gua n SER 134 Ca 0.23 -2.59 -0.18 0.00 -0.26 0.00 0.00 58.87 56.07 3gua n SER 134 Cb 0.10 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.55 0.00 4.33 4.81 -1.89 -3.23 114.58 119.15 3gua h GLU 135 Ca -0.29 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.39 3gua h GLU 135 Cb 1.05 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3gua h GLU 135 CO 0.46 1.18 0.00 1.05 -0.73 0.00 0.00 179.01 180.97 3gua h GLU 136 N 0.13 0.00 0.00 1.92 9.09 -1.96 -3.49 114.58 120.26 3gua h GLU 136 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 3gua h GLU 136 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.51 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 -1.43 3.61 1.06 0.00 -1.15 -4.84 105.19 103.06 3gua n GLY 137 Ca 0.03 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.36 3.05 -0.07 4.61 0.00 0.48 -4.35 121.76 124.13 3gua s ALA 138 Ca 0.00 -1.44 0.04 0.00 0.00 0.00 0.00 51.96 50.56 3gua s ALA 138 Cb 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 3gua s ALA 138 CO 0.00 0.46 -0.20 0.99 0.00 0.00 0.00 175.76 177.01 3gua s THR 139 N -1.75 1.74 0.07 0.00 2.01 -1.26 -1.06 115.64 115.39 3gua s THR 139 Ca 0.26 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.42 3gua s THR 139 Cb -0.09 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 3gua s THR 139 CO 0.17 0.49 -0.07 0.00 -0.69 0.00 0.00 174.62 174.52 3gua s ALA 141 N -2.52 0.15 -0.05 0.00 0.00 -1.26 -0.46 121.76 117.62 3gua s ALA 141 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 3gua s ALA 141 Cb -0.02 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3gua s ALA 141 CO -0.03 -0.08 0.12 0.54 0.00 0.00 0.00 175.76 176.31 3gua s VAL 142 N -0.94 -0.02 -0.03 0.00 0.11 -0.20 -4.93 120.40 114.38 3gua s VAL 142 Ca -0.10 0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 58.90 3gua s VAL 142 Cb -0.07 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.54 3gua s VAL 142 CO -0.01 0.03 0.34 -0.54 -3.33 0.00 0.00 175.10 171.59 3gua s LYS 143 N 0.48 3.81 -0.07 1.54 1.02 -1.26 -0.76 119.74 124.50 3gua s LYS 143 Ca -0.03 0.27 0.03 0.00 0.02 0.00 0.00 55.97 56.26 3gua s LYS 143 Cb -0.05 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 3gua s LYS 143 CO -0.02 0.70 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.88 3gua s PHE 144 N -1.02 2.65 0.10 3.18 0.08 0.12 -0.43 117.98 122.66 3gua s PHE 144 Ca 0.21 -0.43 -0.26 0.00 0.12 0.00 0.00 56.93 56.58 3gua s PHE 144 Cb -0.15 -1.67 0.09 0.00 -0.57 0.00 0.00 43.02 40.71 3gua s PHE 144 CO 0.11 -0.02 1.11 0.20 -0.10 0.00 0.00 175.22 176.51 3gua s GLY 145 N -0.32 -0.13 0.61 4.36 0.00 -0.48 -0.40 107.32 110.96 3gua s GLY 145 Ca 0.02 0.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.62 3gua s GLY 145 CO 0.02 1.67 1.24 -0.45 0.00 0.00 0.00 173.10 175.59 3gua s SER 146 N -3.24 5.03 -0.02 1.64 0.15 -1.26 -0.70 113.70 115.30 3gua s SER 146 Ca 0.18 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.31 3gua s SER 146 Cb -0.00 -2.61 -0.26 0.00 -1.71 0.00 0.00 66.02 61.44 3gua s SER 146 CO 0.02 -1.70 0.76 -0.25 1.20 0.00 0.00 173.24 173.26 3gua h TRP 147 N 0.82 0.34 0.00 3.44 2.91 -1.87 -3.42 115.95 118.17 3gua h TRP 147 Ca -0.51 -0.25 0.00 0.00 1.13 0.00 0.00 58.89 59.27 3gua h TRP 147 Cb 1.31 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.95 3gua h TRP 147 CO 0.45 1.35 0.00 1.33 -1.03 0.00 0.00 178.44 180.54 3gua n VAL 148 N -3.37 0.00 -4.00 2.65 0.24 -1.26 -5.04 118.33 107.55 3gua n VAL 148 Ca -0.18 -0.36 -0.35 0.00 -2.04 0.00 0.00 64.34 61.41 3gua n VAL 148 Cb 1.04 1.07 -0.09 0.00 -1.47 0.00 0.00 33.84 34.39 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 -0.54 3.31 0.90 6.34 2.02 -1.26 -5.11 117.35 123.01 3gua s TYR 149 Ca 0.00 0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.75 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 0.30 1.22 -1.13 -1.57 0.00 0.00 175.55 174.37 3gua n SER 150 N 3.13 0.22 0.24 2.29 3.41 -1.26 -4.69 113.62 116.97 3gua n SER 150 Ca -0.17 -1.52 0.10 0.00 -0.26 0.00 0.00 58.87 57.02 3gua n SER 150 Cb 0.53 -0.92 0.62 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.11 -0.72 103.07 106.70 3gua h GLY 151 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3gua h GLY 151 CO 0.29 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.57 3gua h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.94 -3.35 116.94 117.29 3gua h PHE 152 Ca -0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 3gua h PHE 152 Cb 0.42 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 3gua h PHE 152 CO 0.00 0.00 -1.31 0.39 -0.60 0.00 0.00 178.31 176.79 3gua n GLU 153 N -2.94 0.34 -4.07 1.51 4.71 -0.79 -4.31 120.64 115.10 3gua n GLU 153 Ca 0.00 0.14 -0.34 0.00 -0.01 0.00 0.00 57.16 56.96 3gua n GLU 153 Cb 0.26 -1.08 -0.15 0.00 -1.01 0.00 0.00 31.44 29.46 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 -2.42 2.58 -0.11 -3.67 1.01 -0.35 -0.60 121.20 117.65 3gua s ILE 154 Ca -0.21 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3gua s ILE 154 Cb 0.06 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3gua s ILE 154 CO 0.28 0.50 0.12 -0.62 0.00 0.00 0.00 174.94 175.22 3gua s ASP 155 N 1.33 6.22 0.09 3.58 2.15 0.41 -3.89 116.67 126.54 3gua s ASP 155 Ca 0.05 0.41 0.02 0.00 0.43 0.00 0.00 52.55 53.46 3gua s ASP 155 Cb -0.14 -1.98 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 3gua s ASP 155 CO -0.09 0.40 0.16 -0.76 -0.17 0.00 0.00 175.17 174.71 3gua s LEU 156 N -1.06 4.10 0.10 -1.34 1.43 -1.26 -0.13 118.68 120.52 3gua s LEU 156 Ca 0.15 0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 3gua s LEU 156 Cb -0.12 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.40 3gua s LEU 156 CO 0.05 0.15 0.34 -1.59 0.23 0.00 0.00 176.35 175.53 3gua s LYS 157 N -2.59 0.98 0.22 1.70 -2.85 -0.37 -4.91 119.74 111.91 3gua s LYS 157 Ca 0.32 -0.72 0.10 0.00 -1.00 0.00 0.00 55.97 54.67 3gua s LYS 157 Cb -0.12 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 3gua s LYS 157 CO 0.25 -0.36 -0.11 0.95 0.10 0.00 0.00 175.35 176.19 3gua s THR 158 N -3.60 3.04 -0.12 3.79 -4.23 -1.26 -0.73 115.64 112.51 3gua s THR 158 Ca 0.02 -1.89 0.15 0.00 -1.18 0.00 0.00 61.69 58.79 3gua s THR 158 Cb 0.02 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.32 3gua s THR 158 CO -0.10 -0.22 1.30 0.44 -0.54 0.00 0.00 174.62 175.50 3gua h ASP 159 N 2.59 0.00 -5.03 3.99 3.32 -1.97 -3.48 116.42 115.83 3gua h ASP 159 Ca -0.45 0.00 -0.04 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 0.56 0.56 0.07 0.28 -1.72 0.00 0.00 179.24 178.99 3gua s THR 160 N -2.93 0.03 -0.65 0.35 -1.32 -1.26 -5.03 115.64 104.83 3gua s THR 160 Ca 0.02 -0.28 0.25 0.00 -1.21 0.00 0.00 61.69 60.48 3gua s THR 160 Cb 0.08 -1.07 0.30 0.00 -1.51 0.00 0.00 72.50 70.31 3gua s THR 160 CO 0.77 -0.15 1.74 0.44 -2.21 0.00 0.00 174.62 175.20 3gua h ASP 161 N 2.28 0.00 -3.57 8.08 3.32 -1.93 -3.44 116.42 121.15 3gua h ASP 161 Ca -0.33 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.10 3gua h ASP 161 Cb 1.27 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.71 3gua h ASP 161 CO 0.42 0.00 0.42 -1.10 -1.72 0.00 0.00 179.24 177.26 3gua s GLN 162 N -3.14 3.63 0.21 3.56 -1.52 -1.26 -0.29 119.66 120.85 3gua s GLN 162 Ca 0.10 0.19 -0.31 0.00 -1.95 0.00 0.00 55.36 53.38 3gua s GLN 162 Cb 0.10 -3.86 -0.11 0.00 -0.22 0.00 0.00 33.01 28.92 3gua s GLN 162 CO 0.61 -0.99 1.64 0.08 -0.25 0.00 0.00 175.29 176.38 3gua s VAL 163 N 3.28 2.25 -0.44 1.09 1.01 -0.86 -4.88 120.40 121.85 3gua s VAL 163 Ca 0.32 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.21 3gua s VAL 163 Cb -0.12 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3gua s VAL 163 CO 0.20 0.02 1.73 -0.62 0.00 0.00 0.00 175.10 176.43 3gua s ASP 164 N 1.03 5.80 0.00 3.32 2.15 0.02 -4.86 116.67 124.12 3gua s ASP 164 Ca 0.71 0.88 0.22 0.00 0.43 0.00 0.00 52.55 54.80 3gua s ASP 164 Cb -0.47 -2.53 0.58 0.00 -0.30 0.00 0.00 42.92 40.20 3gua s ASP 164 CO 0.35 -1.86 1.50 0.18 -0.17 0.00 0.00 175.17 175.16 3gua n LEU 165 N 10.72 3.71 0.02 -1.34 4.77 -1.26 -2.17 117.00 131.46 3gua n LEU 165 Ca 0.20 -1.79 0.10 0.00 -0.03 0.00 0.00 56.01 54.50 3gua n LEU 165 Cb 0.49 -0.41 0.44 0.00 -2.33 0.00 0.00 43.42 41.60 3gua n LEU 165 CO 0.70 0.89 0.83 -1.54 -1.33 0.00 0.00 177.39 176.94 3gua n SER 166 N 1.56 0.12 -0.45 -1.43 3.41 -1.26 -2.01 113.62 113.56 3gua n SER 166 Ca 0.23 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.40 3gua n SER 166 Cb 0.60 -0.55 0.10 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.62 2.46 -4.72 4.04 7.64 -1.26 -5.02 113.62 115.14 3gua n SER 167 Ca 0.05 -1.84 -0.42 0.00 1.01 0.00 0.00 58.87 57.66 3gua n SER 167 Cb 0.25 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.93 2.98 -0.28 1.43 5.04 -0.85 -4.63 117.35 120.12 3gua s TYR 168 Ca 0.16 0.51 -0.34 0.00 -2.44 0.00 0.00 57.07 54.96 3gua s TYR 168 Cb 0.09 -4.02 -0.11 0.00 0.35 0.00 0.00 41.96 38.27 3gua s TYR 168 CO 0.12 -3.80 2.11 0.98 -1.34 0.00 0.00 175.55 173.61 3gua n TYR 169 N 3.89 1.82 -0.24 4.97 9.36 0.14 -4.83 117.16 132.28 3gua n TYR 169 Ca 0.14 0.18 0.16 0.00 3.32 0.00 0.00 57.90 61.70 3gua n TYR 169 Cb 0.37 -2.58 0.46 0.00 -0.63 0.00 0.00 39.34 36.96 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 11.92 2.05 -0.55 2.98 0.00 -1.90 -2.50 119.26 131.26 3gua h ALA 170 Ca -0.35 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.28 3gua h ALA 170 Cb 1.30 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 3gua h ALA 170 CO 0.99 -0.32 0.08 0.43 0.00 0.00 0.00 179.25 180.44 3gua n SER 171 N -4.53 3.18 -4.74 0.00 7.64 -1.26 -5.03 113.62 108.88 3gua n SER 171 Ca 0.18 -3.76 -0.33 0.00 1.01 0.00 0.00 58.87 55.97 3gua n SER 171 Cb 0.59 -0.68 0.09 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.31 4.38 0.56 6.43 0.15 -0.94 -4.91 113.70 117.06 3gua s SER 172 Ca 0.49 2.11 0.30 0.00 0.70 0.00 0.00 55.95 59.55 3gua s SER 172 Cb 0.43 -2.56 1.69 0.00 -1.71 0.00 0.00 66.02 63.87 3gua s SER 172 CO 0.02 -2.12 2.17 0.11 1.20 0.00 0.00 173.24 174.62 3gua h LYS 173 N -0.56 0.00 -5.47 5.44 1.79 -1.91 -3.43 116.57 112.43 3gua h LYS 173 Ca -0.46 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.47 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 0.06 -0.83 0.71 -1.08 0.00 0.00 179.45 178.81 3gua s TYR 174 N -4.34 1.54 0.07 -1.35 2.02 -1.26 -1.67 117.35 112.36 3gua s TYR 174 Ca -0.04 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 3gua s TYR 174 Cb 0.14 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.65 3gua s TYR 174 CO 0.55 -0.07 0.11 -1.83 -1.57 0.00 0.00 175.55 172.75 3gua s GLU 175 N -0.25 3.03 -0.19 -0.62 -1.05 -0.25 -4.75 118.70 114.61 3gua s GLU 175 Ca 0.03 -0.63 -0.21 0.00 -0.15 0.00 0.00 54.97 54.02 3gua s GLU 175 Cb -0.08 -2.81 -0.03 0.00 -0.44 0.00 0.00 34.13 30.78 3gua s GLU 175 CO 0.00 0.58 0.63 0.42 0.95 0.00 0.00 175.26 177.84 3gua s ILE 176 N -1.42 5.02 -0.07 1.83 -1.09 -1.26 -2.34 121.20 121.86 3gua s ILE 176 Ca 0.31 1.20 -0.03 0.00 -2.23 0.00 0.00 60.65 59.89 3gua s ILE 176 Cb -0.12 -3.95 -0.27 0.00 -1.58 0.00 0.00 42.46 36.54 3gua s ILE 176 CO 0.24 0.12 0.56 -0.07 -1.23 0.00 0.00 174.94 174.55 3gua h LEU 177 N 8.14 0.38 -7.00 2.97 3.38 -0.10 -3.49 115.31 119.60 3gua h LEU 177 Ca -0.32 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 56.91 3gua h LEU 177 Cb 1.14 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.61 3gua h LEU 177 CO 0.77 1.63 0.23 -0.94 0.09 0.00 0.00 178.44 180.23 3gua s SER 178 N -6.91 -0.59 -0.12 -0.43 1.04 -1.10 -4.98 113.70 100.61 3gua s SER 178 Ca -0.16 0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.57 3gua s SER 178 Cb 0.07 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.79 3gua s SER 178 CO 0.81 -0.76 0.25 0.00 0.98 0.00 0.00 173.24 174.52 3gua s ALA 179 N -2.43 -0.51 0.19 5.32 0.00 -1.26 -0.28 121.76 122.78 3gua s ALA 179 Ca -0.04 0.89 0.10 0.00 0.00 0.00 0.00 51.96 52.91 3gua s ALA 179 Cb -0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3gua s ALA 179 CO -0.02 -0.62 -0.20 0.95 0.00 0.00 0.00 175.76 175.87 3gua s THR 180 N 2.39 2.05 -0.15 0.00 -4.23 -0.18 -2.04 115.64 113.47 3gua s THR 180 Ca 0.01 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.49 3gua s THR 180 Cb -0.12 -1.99 0.04 0.00 1.34 0.00 0.00 72.50 71.77 3gua s THR 180 CO -0.08 -0.28 -0.05 0.00 -0.54 0.00 0.00 174.62 173.67 3gua s GLN 181 N -2.89 1.31 -0.06 3.99 -2.07 0.61 -1.11 119.66 119.45 3gua s GLN 181 Ca 0.19 -0.40 0.04 0.00 -1.82 0.00 0.00 55.36 53.37 3gua s GLN 181 Cb -0.06 -1.83 -0.00 0.00 -1.09 0.00 0.00 33.01 30.03 3gua s GLN 181 CO 0.08 -0.40 -0.18 0.99 -1.32 0.00 0.00 175.29 174.46 3gua s THR 182 N 1.70 1.52 0.18 3.63 2.01 -0.50 -4.29 115.64 119.89 3gua s THR 182 Ca 0.02 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 3gua s THR 182 Cb -0.15 -1.32 -0.08 0.00 0.01 0.00 0.00 72.50 70.97 3gua s THR 182 CO -0.08 0.44 1.05 -0.60 -0.69 0.00 0.00 174.62 174.74 3gua s ARG 183 N 0.18 4.65 -0.01 4.92 3.52 -1.26 0.13 118.95 131.08 3gua s ARG 183 Ca -0.08 1.64 0.04 0.00 -0.13 0.00 0.00 55.73 57.20 3gua s ARG 183 Cb -0.13 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 3gua s ARG 183 CO 0.04 0.17 -0.14 -0.65 -0.81 0.00 0.00 175.30 173.91 3gua s GLN 184 N -0.49 1.09 -0.20 5.12 -0.21 0.15 -4.93 119.66 120.19 3gua s GLN 184 Ca 0.47 -0.50 -0.01 0.00 0.02 0.00 0.00 55.36 55.34 3gua s GLN 184 Cb -0.28 -1.05 0.01 0.00 1.00 0.00 0.00 33.01 32.68 3gua s GLN 184 CO 0.34 0.29 -0.13 0.08 -2.12 0.00 0.00 175.29 173.75 3gua s VAL 185 N -0.35 2.70 -0.08 1.09 1.01 -1.26 -1.01 120.40 122.50 3gua s VAL 185 Ca 0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3gua s VAL 185 Cb -0.05 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3gua s VAL 185 CO -0.00 0.49 -0.04 -1.10 0.00 0.00 0.00 175.10 174.45 3gua s GLN 186 N 1.32 2.85 -0.30 2.72 1.11 0.47 -4.95 119.66 122.89 3gua s GLN 186 Ca 0.04 -0.48 0.01 0.00 0.01 0.00 0.00 55.36 54.94 3gua s GLN 186 Cb -0.14 -2.68 0.09 0.00 -1.01 0.00 0.00 33.01 29.27 3gua s GLN 186 CO -0.07 0.68 0.06 -1.01 0.01 0.00 0.00 175.29 174.95 3gua s HIS 187 N -0.84 2.38 0.24 0.91 3.76 -1.26 -1.86 115.29 118.61 3gua s HIS 187 Ca 0.13 -2.06 -0.04 0.00 -0.15 0.00 0.00 55.06 52.94 3gua s HIS 187 Cb -0.11 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.52 3gua s HIS 187 CO 0.02 -0.87 0.48 0.71 -0.85 0.00 0.00 174.74 174.23 3gua s TYR 188 N 1.39 3.47 -1.87 1.40 1.51 -1.26 -4.98 117.35 117.00 3gua s TYR 188 Ca 0.07 0.56 0.17 0.00 -1.01 0.00 0.00 57.07 56.86 3gua s TYR 188 Cb -0.18 -2.03 0.97 0.00 -0.11 0.00 0.00 41.96 40.61 3gua s TYR 188 CO -0.16 0.28 1.43 -1.13 -1.11 0.00 0.00 175.55 174.86 3gua n SER 189 N -0.64 0.00 -0.03 2.29 3.41 -1.26 -2.95 113.62 114.44 3gua n SER 189 Ca -0.02 -0.40 -0.13 0.00 -0.26 0.00 0.00 58.87 58.05 3gua n SER 189 Cb 0.53 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.31 3gua n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gua n PRO 192 N 4.21 0.17 -3.95 0.00 -0.04 -1.26 -4.63 135.00 129.51 3gua n PRO 192 Ca -0.20 0.17 -0.37 0.00 -0.04 0.00 0.00 63.50 63.07 3gua n PRO 192 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 3gua n PRO 192 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gua s GLU 193 N -2.61 3.43 0.63 0.54 8.01 -1.26 -5.10 118.70 122.34 3gua s GLU 193 Ca 0.12 -0.18 -0.14 0.00 0.01 0.00 0.00 54.97 54.78 3gua s GLU 193 Cb 0.09 -3.15 -0.02 0.00 -4.31 0.00 0.00 34.13 26.74 3gua s GLU 193 CO 0.20 0.73 1.05 -1.25 0.01 0.00 0.00 175.26 176.00 3gua s PRO 194 N -0.89 3.21 -0.01 0.39 0.04 -1.26 -4.84 135.00 131.64 3gua s PRO 194 Ca 0.14 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.32 3gua s PRO 194 Cb -0.12 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 3gua s PRO 194 CO 0.03 -0.89 -0.21 0.71 0.04 0.00 0.00 177.00 176.69 3gua s TYR 195 N -2.73 2.49 0.01 0.56 2.02 -0.78 -0.86 117.35 118.06 3gua s TYR 195 Ca 0.61 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 57.07 3gua s TYR 195 Cb -0.15 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 3gua s TYR 195 CO 0.44 0.11 -0.23 0.42 -1.57 0.00 0.00 175.55 174.72 3gua s ILE 196 N -0.73 1.81 0.12 2.71 1.01 -1.26 -0.39 121.20 124.46 3gua s ILE 196 Ca 0.12 -1.09 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 3gua s ILE 196 Cb -0.10 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.87 3gua s ILE 196 CO 0.01 0.41 0.38 1.51 0.00 0.00 0.00 174.94 177.24 3gua s ASP 197 N -0.81 -0.20 -0.19 3.58 -4.77 -0.18 -4.52 116.67 109.59 3gua s ASP 197 Ca 0.09 -0.35 -0.04 0.00 -3.30 0.00 0.00 52.55 48.94 3gua s ASP 197 Cb -0.09 0.46 -0.02 0.00 -1.09 0.00 0.00 42.92 42.18 3gua s ASP 197 CO 0.00 -0.84 -0.02 -0.69 0.70 0.00 0.00 175.17 174.32 3gua s VAL 198 N -3.81 3.80 -0.42 2.11 1.01 0.47 0.30 120.40 123.85 3gua s VAL 198 Ca 0.03 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 3gua s VAL 198 Cb 0.02 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.72 3gua s VAL 198 CO -0.12 0.44 0.35 0.21 0.00 0.00 0.00 175.10 175.98 3gua s ASN 199 N 0.96 6.14 -0.33 3.32 2.47 0.12 0.12 114.94 127.73 3gua s ASN 199 Ca 0.01 -0.91 -0.21 0.00 0.42 0.00 0.00 52.86 52.17 3gua s ASN 199 Cb -0.14 -2.18 -0.00 0.00 -1.45 0.00 0.00 41.25 37.47 3gua s ASN 199 CO 0.01 -0.52 0.64 -0.22 -3.72 0.00 0.00 177.10 173.30 3gua s LEU 200 N 1.80 4.19 -0.18 3.21 2.96 0.06 -1.41 118.68 129.30 3gua s LEU 200 Ca 0.07 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 3gua s LEU 200 Cb -0.19 -2.82 0.02 0.00 0.50 0.00 0.00 46.19 43.70 3gua s LEU 200 CO 0.10 -0.54 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.72 3gua s VAL 201 N 2.68 1.97 -0.10 1.68 1.01 -0.26 -1.04 120.40 126.34 3gua s VAL 201 Ca 0.25 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3gua s VAL 201 Cb -0.15 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3gua s VAL 201 CO 0.13 0.47 -0.19 -0.69 0.00 0.00 0.00 175.10 174.82 3gua s VAL 202 N 1.31 2.53 -0.22 2.92 1.01 0.40 -1.01 120.40 127.33 3gua s VAL 202 Ca 0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 3gua s VAL 202 Cb -0.14 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3gua s VAL 202 CO -0.12 0.55 0.06 -0.54 0.00 0.00 0.00 175.10 175.05 3gua s LYS 203 N 0.20 3.73 0.07 2.72 1.02 0.61 -0.99 119.74 127.10 3gua s LYS 203 Ca -0.12 -0.45 -0.03 0.00 0.02 0.00 0.00 55.97 55.39 3gua s LYS 203 Cb -0.16 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 3gua s LYS 203 CO 0.06 -0.03 0.05 -0.59 -0.92 0.00 0.00 175.35 173.92 3gua s PHE 204 N 1.18 0.44 0.17 3.18 -0.12 -0.23 0.70 117.98 123.30 3gua s PHE 204 Ca 0.04 -0.93 -0.11 0.00 -0.05 0.00 0.00 56.93 55.87 3gua s PHE 204 Cb -0.14 -0.29 0.00 0.00 -0.63 0.00 0.00 43.02 41.95 3gua s PHE 204 CO 0.03 -0.45 0.35 -0.98 -0.05 0.00 0.00 175.22 174.13 3gua s ARG 205 N -3.91 1.22 0.53 1.99 1.70 -0.99 -0.38 118.95 119.10 3gua s ARG 205 Ca 0.08 -1.08 -0.21 0.00 -0.47 0.00 0.00 55.73 54.05 3gua s ARG 205 Cb 0.07 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.81 3gua s ARG 205 CO -0.09 -0.47 1.21 -1.21 -1.08 0.00 0.00 175.30 173.66 3gua s GLU 206 N -3.94 3.32 0.42 3.89 2.02 -0.24 -1.09 118.70 123.07 3gua s GLU 206 Ca 0.15 1.86 -0.26 0.00 0.02 0.00 0.00 54.97 56.74 3gua s GLU 206 Cb 0.02 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 32.01 3gua s GLU 206 CO -0.01 -0.94 1.34 0.50 0.02 0.00 0.00 175.26 176.17 3gua s ARG 207 N -3.03 3.89 0.00 1.61 3.52 -0.67 -4.72 118.95 119.54 3gua s ARG 207 Ca 0.71 2.23 0.28 0.00 -0.13 0.00 0.00 55.73 58.82 3gua s ARG 207 Cb -0.31 -2.73 1.70 0.00 -1.56 0.00 0.00 34.95 32.05 3gua s ARG 207 CO 0.36 -0.58 2.04 -2.13 -0.81 0.00 0.00 175.30 174.17