#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 0.43 -0.28 2.11 0.99 -2.05 -2.84 116.97 115.34 3gua h TYR -7 Ca 0.00 -0.16 -0.06 0.00 2.00 0.00 0.00 58.73 60.51 3gua h TYR -7 Cb 0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 36.73 37.64 3gua h TYR -7 CO 0.00 0.85 -0.05 -0.22 -0.00 0.00 0.00 178.16 178.74 3gua h LYS -6 N 0.25 0.53 -0.02 4.88 3.64 -2.05 0.16 116.57 123.98 3gua h LYS -6 Ca -0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3gua h LYS -6 Cb 1.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3gua h LYS -6 CO 0.10 0.72 0.00 -0.40 -2.27 0.00 0.00 179.45 177.60 3gua n ASP -5 N -4.53 0.67 -0.04 4.20 5.68 -1.25 -0.07 116.55 121.22 3gua n ASP -5 Ca -0.03 -1.26 -0.10 0.00 -0.50 0.00 0.00 54.79 52.90 3gua n ASP -5 Cb 0.30 -0.01 -0.14 0.00 -1.14 0.00 0.00 41.12 40.13 3gua n ASP -5 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gua n ASP -4 N -0.46 0.81 0.07 -1.12 8.00 -1.05 -3.47 116.55 119.34 3gua n ASP -4 Ca 0.21 0.32 -0.10 0.00 0.71 0.00 0.00 54.79 55.93 3gua n ASP -4 Cb 0.21 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3gua n ASP -4 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3gua h ASP -3 N 0.00 0.38 -0.24 -2.24 1.82 -0.40 -2.65 116.42 113.10 3gua h ASP -3 Ca -0.34 -0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.00 3gua h ASP -3 Cb 2.06 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.94 3gua h ASP -3 CO 0.07 1.06 0.13 0.44 -1.61 0.00 0.00 179.24 179.33 3gua h ASP -2 N 0.18 0.30 -0.59 2.28 3.32 -0.63 0.32 116.42 121.60 3gua h ASP -2 Ca -0.05 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 3gua h ASP -2 Cb 1.45 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 3gua h ASP -2 CO 0.14 0.31 0.20 0.11 -1.72 0.00 0.00 179.24 178.27 3gua h LYS -1 N 0.27 0.90 -0.63 3.56 1.57 -1.61 -0.63 116.57 120.01 3gua h LYS -1 Ca 0.08 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3gua h LYS -1 Cb 0.07 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 3gua h LYS -1 CO -0.01 0.80 0.39 -0.07 -0.57 0.00 0.00 179.45 179.99 3gua h LEU 0 N 0.82 0.64 -0.14 2.94 3.38 -1.23 -1.16 115.31 120.56 3gua h LEU 0 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3gua h LEU 0 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3gua h LEU 0 CO -0.01 0.45 0.08 -0.74 0.09 0.00 0.00 178.44 178.31 3gua h HIS 1 N 0.77 0.15 -0.57 1.13 2.76 0.06 0.10 115.15 119.55 3gua h HIS 1 Ca 0.25 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.44 3gua h HIS 1 Cb 0.00 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 3gua h HIS 1 CO -0.05 0.09 0.38 0.66 -1.30 0.00 0.00 177.93 177.71 3gua h SER 2 N 0.17 0.63 -0.15 3.26 4.64 -0.86 -0.86 113.55 120.37 3gua h SER 2 Ca 0.05 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 3gua h SER 2 Cb -0.01 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3gua h SER 2 CO -0.02 0.45 -0.39 1.56 -0.87 0.00 0.00 176.83 177.56 3gua h GLN 3 N 0.74 0.53 -0.81 4.77 4.20 -0.85 -2.89 115.11 120.80 3gua h GLN 3 Ca 0.22 -0.37 0.07 0.00 0.06 0.00 0.00 58.65 58.63 3gua h GLN 3 Cb -0.03 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 3gua h GLN 3 CO -0.05 0.98 0.48 0.00 -0.67 0.00 0.00 178.83 179.57 3gua h ALA 4 N 0.54 1.12 -0.61 3.87 0.00 -0.35 -0.75 119.26 123.08 3gua h ALA 4 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gua h ALA 4 Cb 1.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3gua h ALA 4 CO 0.08 0.16 0.38 -0.91 0.00 0.00 0.00 179.25 178.96 3gua h ASN 5 N 0.84 0.62 -0.31 0.00 2.35 -1.13 0.16 115.58 118.11 3gua h ASN 5 Ca 0.37 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.00 3gua h ASN 5 Cb 0.25 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3gua h ASN 5 CO -0.20 0.44 -0.27 0.25 -1.65 0.00 0.00 177.43 176.00 3gua h LEU 6 N 0.75 0.78 -0.47 1.61 5.85 -1.23 -1.35 115.31 121.25 3gua h LEU 6 Ca 0.24 -0.46 0.09 0.00 0.84 0.00 0.00 57.88 58.60 3gua h LEU 6 Cb 0.01 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 40.72 3gua h LEU 6 CO -0.10 1.07 -0.29 -0.03 -0.34 0.00 0.00 178.44 178.76 3gua h MET 7 N 0.50 -0.18 -0.47 1.25 4.05 -0.90 -0.12 114.93 119.07 3gua h MET 7 Ca 0.06 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.51 3gua h MET 7 Cb 0.83 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.64 3gua h MET 7 CO 0.07 -0.12 0.27 -0.09 0.23 0.00 0.00 176.91 177.27 3gua h ARG 8 N -0.18 0.53 0.22 0.39 2.43 -0.81 0.49 114.38 117.44 3gua h ARG 8 Ca 0.21 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3gua h ARG 8 Cb 0.52 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3gua h ARG 8 CO -0.58 0.35 -0.10 1.25 -1.51 0.00 0.00 179.97 179.38 3gua h LEU 9 N 0.55 -0.25 -0.25 3.80 5.85 -0.60 0.61 115.31 125.02 3gua h LEU 9 Ca 0.19 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3gua h LEU 9 Cb 0.03 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3gua h LEU 9 CO -0.09 -0.11 0.16 0.11 -0.34 0.00 0.00 178.44 178.17 3gua h LYS 10 N -0.36 0.33 -0.96 1.25 1.57 -0.90 0.15 116.57 117.65 3gua h LYS 10 Ca -0.03 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3gua h LYS 10 Cb 0.28 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 3gua h LYS 10 CO 0.05 0.24 0.63 1.03 -0.57 0.00 0.00 179.45 180.83 3gua h SER 11 N 0.33 1.05 -0.18 0.86 0.87 -0.78 0.96 113.55 116.65 3gua h SER 11 Ca 0.09 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 3gua h SER 11 Cb -0.02 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 3gua h SER 11 CO -0.02 0.72 -0.15 0.44 -0.53 0.00 0.00 176.83 177.29 3gua h ASP 12 N 1.21 0.45 -0.27 6.23 3.32 -0.49 -2.28 116.42 124.59 3gua h ASP 12 Ca 0.38 -0.46 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 3gua h ASP 12 Cb 0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3gua h ASP 12 CO -0.12 0.81 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.04 3gua h LEU 13 N 0.08 0.66 0.02 1.55 3.38 -0.19 -2.44 115.31 118.38 3gua h LEU 13 Ca 0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gua h LEU 13 Cb 0.67 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gua h LEU 13 CO 0.04 0.80 -0.01 0.15 0.09 0.00 0.00 178.44 179.51 3gua h PHE 14 N 0.62 -0.02 0.00 1.13 -0.00 -0.89 -3.27 116.94 114.51 3gua h PHE 14 Ca 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.08 3gua h PHE 14 Cb 0.54 0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.50 3gua h PHE 14 CO 0.02 0.58 0.00 0.09 -0.00 0.00 0.00 178.31 179.01 3gua n ASN 15 N -4.80 0.00 -4.75 0.41 4.13 -0.86 -4.87 115.26 104.52 3gua n ASN 15 Ca -0.09 -0.54 -0.41 0.00 1.68 0.00 0.00 54.58 55.21 3gua n ASN 15 Cb 0.31 -0.08 -0.01 0.00 -1.54 0.00 0.00 39.78 38.45 3gua n ASN 15 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gua s ARG 16 N -2.16 4.12 1.03 3.52 1.70 -0.92 -4.93 118.95 121.31 3gua s ARG 16 Ca 0.32 2.57 -0.12 0.00 -0.47 0.00 0.00 55.73 58.02 3gua s ARG 16 Cb 0.16 -3.02 0.21 0.00 -0.57 0.00 0.00 34.95 31.73 3gua s ARG 16 CO 0.29 -0.61 1.08 0.45 -1.08 0.00 0.00 175.30 175.43 3gua s SER 17 N 0.41 2.29 -0.08 -2.89 0.15 -1.26 -2.55 113.70 109.76 3gua s SER 17 Ca 0.62 1.32 -0.01 0.00 0.70 0.00 0.00 55.95 58.58 3gua s SER 17 Cb -0.47 -2.01 0.01 0.00 -1.71 0.00 0.00 66.02 61.83 3gua s SER 17 CO 0.50 -3.36 0.03 -2.65 1.20 0.00 0.00 173.24 168.95 3gua n PRO 18 N -4.34 -1.13 -0.12 5.44 -0.02 -1.26 -4.80 135.00 128.77 3gua n PRO 18 Ca 0.05 0.01 -0.02 0.00 -2.02 0.00 0.00 63.50 61.51 3gua n PRO 18 Cb 0.56 -0.52 -0.02 0.00 -0.02 0.00 0.00 33.50 33.50 3gua n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gua n MET 19 N -0.53 0.00 0.00 -0.52 0.00 -1.06 -4.21 117.12 110.80 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 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 33.22 33.18 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 0.57 0.00 -0.93 3.17 4.19 -1.26 -4.93 117.16 117.96 3gua n TYR 20 Ca 0.06 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.18 3gua n TYR 20 Cb 0.01 0.00 0.27 0.00 0.49 0.00 0.00 39.34 40.11 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 3.40 0.00 2.98 -0.04 -1.26 -4.99 135.00 135.08 3gua n PRO 21 Ca 0.00 -2.89 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 3gua n PRO 21 Cb 0.00 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 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 -0.24 -1.01 3.75 0.55 0.00 -1.26 -4.97 105.19 102.00 3gua n GLY 22 Ca 0.41 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.11 2.97 0.29 1.61 0.04 -1.26 -5.04 135.00 130.51 3gua s PRO 23 Ca 0.00 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.09 3gua s PRO 23 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3gua s PRO 23 CO 0.00 -1.26 0.15 0.95 0.04 0.00 0.00 177.00 176.89 3gua s THR 24 N -1.43 0.31 0.20 1.26 -4.23 -1.11 -4.97 115.64 105.66 3gua s THR 24 Ca 0.76 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.16 3gua s THR 24 Cb -0.36 -2.53 0.11 0.00 1.34 0.00 0.00 72.50 71.07 3gua s THR 24 CO 0.40 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 176.38 3gua h LYS 25 N 2.27 0.55 0.00 3.99 1.57 -1.92 -1.75 116.57 121.27 3gua h LYS 25 Ca -0.34 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3gua h LYS 25 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3gua h LYS 25 CO 0.52 0.36 0.00 -0.25 -0.57 0.00 0.00 179.45 179.52 3gua n ASP 26 N -4.86 0.00 -2.99 0.86 8.00 -1.26 -3.95 116.55 112.35 3gua n ASP 26 Ca 0.07 0.07 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 3gua n ASP 26 Cb 0.17 -0.33 0.01 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.33 -0.03 -4.31 -2.24 2.03 -0.72 -5.14 116.55 104.80 3gua n ASP 27 Ca 0.10 -3.12 -0.29 0.00 0.52 0.00 0.00 54.79 51.99 3gua n ASP 27 Cb 0.20 0.11 0.19 0.00 -0.72 0.00 0.00 41.12 40.90 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 -1.70 0.14 -0.01 -0.67 0.04 -0.81 -2.73 135.00 129.25 3gua s PRO 28 Ca 0.33 0.05 -0.08 0.00 0.04 0.00 0.00 61.00 61.35 3gua s PRO 28 Cb 0.35 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 33.15 3gua s PRO 28 CO -0.06 -2.83 0.16 -1.17 0.04 0.00 0.00 177.00 173.14 3gua s LEU 29 N -6.37 1.47 -0.19 -3.56 2.96 -0.20 -4.91 118.68 107.88 3gua s LEU 29 Ca 0.68 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 3gua s LEU 29 Cb -0.11 0.70 0.01 0.00 0.50 0.00 0.00 46.19 47.28 3gua s LEU 29 CO 0.55 -0.32 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.23 3gua s THR 30 N -1.10 2.61 -0.23 3.68 2.01 -1.26 -0.45 115.64 120.90 3gua s THR 30 Ca -0.12 -0.76 -0.09 0.00 0.31 0.00 0.00 61.69 61.03 3gua s THR 30 Cb -0.06 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 3gua s THR 30 CO 0.01 0.50 0.13 -0.69 -0.69 0.00 0.00 174.62 173.88 3gua s VAL 31 N 1.28 5.06 -0.20 3.82 1.01 0.52 -4.39 120.40 127.50 3gua s VAL 31 Ca 0.04 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3gua s VAL 31 Cb -0.14 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3gua s VAL 31 CO -0.08 0.36 0.43 -0.89 0.00 0.00 0.00 175.10 174.92 3gua s THR 32 N 1.10 5.17 -0.08 3.92 2.01 0.48 -1.68 115.64 126.55 3gua s THR 32 Ca 0.06 0.78 -0.00 0.00 0.31 0.00 0.00 61.69 62.84 3gua s THR 32 Cb -0.14 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 3gua s THR 32 CO 0.04 0.23 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.40 3gua s LEU 33 N 1.39 3.31 -0.03 4.42 1.43 0.22 -1.96 118.68 127.48 3gua s LEU 33 Ca 0.20 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 3gua s LEU 33 Cb -0.15 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.34 3gua s LEU 33 CO 0.09 0.36 0.12 -0.83 0.23 0.00 0.00 176.35 176.32 3gua s GLY 34 N -0.78 -0.02 -0.13 -3.19 0.00 -0.89 -4.23 107.32 98.08 3gua s GLY 34 Ca 0.12 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.96 3gua s GLY 34 CO 0.02 0.02 -0.18 -1.36 0.00 0.00 0.00 173.10 171.61 3gua s PHE 35 N -0.60 2.72 -0.35 1.90 0.08 -1.26 -0.98 117.98 119.48 3gua s PHE 35 Ca -0.07 -0.94 -0.10 0.00 0.12 0.00 0.00 56.93 55.94 3gua s PHE 35 Cb -0.04 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3gua s PHE 35 CO 0.01 -0.38 0.19 0.99 -0.10 0.00 0.00 175.22 175.92 3gua s THR 36 N 0.53 4.57 -0.26 0.64 2.01 -0.45 -0.96 115.64 121.72 3gua s THR 36 Ca -0.11 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 60.97 3gua s THR 36 Cb -0.16 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3gua s THR 36 CO 0.04 -0.14 0.58 -0.22 -0.69 0.00 0.00 174.62 174.19 3gua s LEU 37 N 1.57 4.06 -0.23 4.42 2.96 -0.84 -0.28 118.68 130.33 3gua s LEU 37 Ca 0.03 0.63 -0.18 0.00 -0.22 0.00 0.00 54.13 54.39 3gua s LEU 37 Cb -0.18 -2.77 -0.17 0.00 0.50 0.00 0.00 46.19 43.57 3gua s LEU 37 CO 0.06 -0.33 0.00 0.00 -1.32 0.00 0.00 176.35 174.76 3gua n GLN 38 N 5.63 0.58 -3.67 1.98 6.02 -0.18 -3.24 117.38 124.50 3gua n GLN 38 Ca -0.02 0.45 -0.14 0.00 -0.01 0.00 0.00 57.00 57.28 3gua n GLN 38 Cb 0.49 -1.65 -0.08 0.00 1.02 0.00 0.00 30.24 30.02 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 -7.10 -0.63 -0.47 1.08 2.15 -0.97 0.51 116.67 111.26 3gua s ASP 39 Ca -0.32 1.21 -0.19 0.00 0.43 0.00 0.00 52.55 53.68 3gua s ASP 39 Cb 0.09 1.23 0.04 0.00 -0.30 0.00 0.00 42.92 43.98 3gua s ASP 39 CO 0.56 -0.21 0.58 -0.63 -0.17 0.00 0.00 175.17 175.30 3gua s ILE 40 N 0.33 4.91 -0.02 4.11 1.01 -1.26 -0.91 121.20 129.37 3gua s ILE 40 Ca -0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 3gua s ILE 40 Cb -0.04 -4.21 -0.33 0.00 0.01 0.00 0.00 42.46 37.89 3gua s ILE 40 CO 0.01 -0.66 0.87 0.58 0.00 0.00 0.00 174.94 175.74 3gua h VAL 41 N 5.83 1.27 -2.85 2.92 2.07 -1.56 -3.41 116.25 120.53 3gua h VAL 41 Ca -0.27 -2.59 -0.14 0.00 0.82 0.00 0.00 66.70 64.52 3gua h VAL 41 Cb 1.10 3.02 -0.26 0.00 -1.52 0.00 0.00 31.29 33.63 3gua h VAL 41 CO 0.90 0.78 -0.34 -0.75 0.02 0.00 0.00 177.57 178.18 3gua s LYS 42 N -2.53 0.36 -0.34 1.57 2.20 -1.24 -4.91 119.74 114.85 3gua s LYS 42 Ca -0.13 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.09 3gua s LYS 42 Cb 0.03 0.07 0.10 0.00 -1.51 0.00 0.00 37.83 36.53 3gua s LYS 42 CO 0.88 -0.10 0.08 0.00 -0.36 0.00 0.00 175.35 175.85 3gua s ALA 43 N 0.75 2.32 -0.53 3.13 0.00 -1.26 -1.03 121.76 125.13 3gua s ALA 43 Ca -0.05 -2.21 -0.24 0.00 0.00 0.00 0.00 51.96 49.47 3gua s ALA 43 Cb -0.06 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.28 3gua s ALA 43 CO -0.05 -1.71 0.90 0.34 0.00 0.00 0.00 175.76 175.25 3gua s ASP 44 N 1.14 6.35 0.06 0.00 -1.08 0.26 -4.88 116.67 118.51 3gua s ASP 44 Ca 0.11 -0.35 0.27 0.00 -0.52 0.00 0.00 52.55 52.06 3gua s ASP 44 Cb -0.19 -2.42 0.95 0.00 -1.46 0.00 0.00 42.92 39.80 3gua s ASP 44 CO -0.15 -1.17 1.77 -1.54 0.52 0.00 0.00 175.17 174.60 3gua n SER 45 N 7.28 0.33 0.04 -0.34 3.41 -1.26 -0.88 113.62 122.19 3gua n SER 45 Ca 0.01 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.12 3gua n SER 45 Cb 0.47 -0.40 0.30 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.74 0.54 0.00 4.04 3.41 -1.26 -4.10 113.62 114.51 3gua n SER 46 Ca 0.06 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 3gua n SER 46 Cb 0.37 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.85 0.00 -3.77 6.66 -2.24 -1.19 -5.03 114.28 106.86 3gua n THR 47 Ca 0.05 -0.31 -0.25 0.00 -2.27 0.00 0.00 64.05 61.27 3gua n THR 47 Cb 0.39 1.30 0.02 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.15 -1.99 -4.28 3.42 3.02 -0.06 -4.93 115.26 110.30 3gua n ASN 48 Ca 0.00 -0.93 -0.31 0.00 -0.03 0.00 0.00 54.58 53.31 3gua n ASN 48 Cb 0.07 -3.59 -0.16 0.00 -0.61 0.00 0.00 39.78 35.49 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 -6.12 2.49 0.01 3.52 2.02 -0.99 -1.47 118.70 118.16 3gua s GLU 49 Ca 0.13 -0.91 0.07 0.00 0.02 0.00 0.00 54.97 54.28 3gua s GLU 49 Cb -0.04 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.02 3gua s GLU 49 CO 0.85 0.41 -0.22 0.08 0.02 0.00 0.00 175.26 176.40 3gua s VAL 50 N -0.24 1.75 -0.25 2.63 1.01 -0.44 -0.57 120.40 124.29 3gua s VAL 50 Ca -0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 3gua s VAL 50 Cb -0.13 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3gua s VAL 50 CO 0.03 0.39 -0.01 -1.81 0.00 0.00 0.00 175.10 173.70 3gua s ASP 51 N -0.80 4.58 0.03 3.32 1.11 -0.19 -1.44 116.67 123.27 3gua s ASP 51 Ca 0.08 -0.57 0.04 0.00 0.18 0.00 0.00 52.55 52.29 3gua s ASP 51 Cb -0.09 -1.77 -0.04 0.00 1.07 0.00 0.00 42.92 42.09 3gua s ASP 51 CO 0.00 -0.09 -0.06 -0.76 1.18 0.00 0.00 175.17 175.44 3gua s LEU 52 N 1.46 3.20 -0.15 1.23 1.43 -0.40 -1.29 118.68 124.16 3gua s LEU 52 Ca 0.04 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3gua s LEU 52 Cb -0.16 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3gua s LEU 52 CO -0.02 0.25 -0.14 -0.69 0.23 0.00 0.00 176.35 175.99 3gua s VAL 53 N -1.07 2.85 0.16 -1.59 1.01 -0.09 -0.87 120.40 120.79 3gua s VAL 53 Ca 0.19 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 3gua s VAL 53 Cb -0.11 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3gua s VAL 53 CO 0.10 0.51 0.29 -0.72 0.00 0.00 0.00 175.10 175.29 3gua s TYR 54 N 0.67 0.36 -0.24 5.22 -0.85 -0.74 -1.01 117.35 120.76 3gua s TYR 54 Ca -0.07 -0.72 -0.09 0.00 -0.52 0.00 0.00 57.07 55.67 3gua s TYR 54 Cb -0.16 -0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 3gua s TYR 54 CO 0.02 -0.72 0.12 0.71 -1.52 0.00 0.00 175.55 174.16 3gua s TYR 55 N -3.96 3.21 -0.36 -3.49 4.12 0.61 -1.19 117.35 116.30 3gua s TYR 55 Ca 0.16 -0.01 -0.11 0.00 0.02 0.00 0.00 57.07 57.13 3gua s TYR 55 Cb 0.03 -2.23 0.02 0.00 -1.52 0.00 0.00 41.96 38.25 3gua s TYR 55 CO -0.01 -0.07 0.20 -2.00 0.02 0.00 0.00 175.55 173.69 3gua s GLU 56 N 1.18 2.99 -0.24 -0.62 2.12 -0.81 -1.35 118.70 121.98 3gua s GLU 56 Ca 0.06 -0.97 -0.12 0.00 0.36 0.00 0.00 54.97 54.30 3gua s GLU 56 Cb -0.14 -3.71 -0.05 0.00 0.26 0.00 0.00 34.13 30.49 3gua s GLU 56 CO 0.05 -0.62 0.24 -1.14 -0.54 0.00 0.00 175.26 173.25 3gua s GLN 57 N 1.58 4.08 -0.01 4.30 0.74 -0.15 -3.17 119.66 127.03 3gua s GLN 57 Ca 0.03 -0.12 0.07 0.00 0.05 0.00 0.00 55.36 55.38 3gua s GLN 57 Cb -0.19 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.34 3gua s GLN 57 CO 0.07 -0.02 -0.21 -0.65 -0.55 0.00 0.00 175.29 173.93 3gua s GLN 58 N 1.28 2.19 -0.04 1.67 -0.21 0.65 -2.10 119.66 123.10 3gua s GLN 58 Ca 0.11 -0.88 -0.04 0.00 0.02 0.00 0.00 55.36 54.57 3gua s GLN 58 Cb -0.14 -2.17 0.01 0.00 1.00 0.00 0.00 33.01 31.71 3gua s GLN 58 CO 0.06 0.57 0.11 0.50 -2.12 0.00 0.00 175.29 174.42 3gua s ARG 59 N -0.87 0.17 0.28 2.91 3.00 -0.83 -1.81 118.95 121.82 3gua s ARG 59 Ca 0.11 0.08 -0.21 0.00 -1.00 0.00 0.00 55.73 54.72 3gua s ARG 59 Cb -0.10 0.08 0.02 0.00 0.00 0.00 0.00 34.95 34.95 3gua s ARG 59 CO 0.01 -0.03 0.72 1.67 0.00 0.00 0.00 175.30 177.67 3gua s TRP 60 N -0.13 -0.16 -0.04 5.12 -2.14 -1.08 -0.39 118.94 120.11 3gua s TRP 60 Ca -0.02 -0.31 -0.00 0.00 2.66 0.00 0.00 56.10 58.43 3gua s TRP 60 Cb -0.02 0.71 0.03 0.00 -3.10 0.00 0.00 33.47 31.09 3gua s TRP 60 CO 0.00 -1.25 -0.00 0.21 -2.66 0.00 0.00 176.95 173.25 3gua s LYS 61 N -3.84 0.43 -0.09 3.25 2.20 -1.26 -0.23 119.74 120.20 3gua s LYS 61 Ca 0.11 0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.84 3gua s LYS 61 Cb -0.06 -0.67 -0.01 0.00 -1.51 0.00 0.00 37.83 35.57 3gua s LYS 61 CO 0.07 -0.19 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.18 3gua s LEU 62 N 1.37 2.45 0.34 5.43 1.43 0.11 -4.91 118.68 124.91 3gua s LEU 62 Ca -0.05 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 3gua s LEU 62 Cb -0.13 -1.51 0.73 0.00 0.03 0.00 0.00 46.19 45.31 3gua s LEU 62 CO -0.02 0.21 1.89 0.78 0.23 0.00 0.00 176.35 179.44 3gua h ASN 63 N 6.33 0.73 0.05 2.29 2.35 -1.89 -1.91 115.58 123.53 3gua h ASN 63 Ca -0.29 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3gua h ASN 63 Cb 1.20 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.45 3gua h ASN 63 CO 0.51 0.41 0.00 -1.54 -1.65 0.00 0.00 177.43 175.16 3gua n SER 64 N -4.54 0.00 -0.40 5.81 3.41 -1.26 -1.86 113.62 114.78 3gua n SER 64 Ca 0.16 -0.36 0.04 0.00 -0.26 0.00 0.00 58.87 58.44 3gua n SER 64 Cb 0.37 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.34 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 2.19 -4.77 1.04 4.77 -0.72 -4.98 117.00 113.48 3gua n LEU 65 Ca 0.10 -1.52 -0.37 0.00 -0.03 0.00 0.00 56.01 54.19 3gua n LEU 65 Cb 0.06 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3gua n LEU 65 CO 0.09 0.51 0.82 -0.04 -1.33 0.00 0.00 177.39 177.44 3gua s MET 66 N -0.84 3.93 0.15 3.23 -1.94 -0.78 -3.89 119.30 119.16 3gua s MET 66 Ca 0.13 1.76 -0.16 0.00 -1.71 0.00 0.00 55.69 55.72 3gua s MET 66 Cb 0.08 -2.53 0.03 0.00 2.01 0.00 0.00 34.83 34.41 3gua s MET 66 CO 0.11 -0.40 0.43 1.67 -0.01 0.00 0.00 175.02 176.82 3gua s TRP 67 N -1.51 -0.12 -0.34 -0.03 -2.14 -0.37 -4.93 118.94 109.49 3gua s TRP 67 Ca 0.60 -0.21 -0.16 0.00 2.66 0.00 0.00 56.10 59.00 3gua s TRP 67 Cb -0.28 0.28 -0.01 0.00 -3.10 0.00 0.00 33.47 30.35 3gua s TRP 67 CO 0.35 -0.78 0.40 0.34 -2.66 0.00 0.00 176.95 174.60 3gua s ASP 68 N -2.84 6.22 0.57 -2.66 2.15 -1.26 -4.66 116.67 114.19 3gua s ASP 68 Ca 0.06 -0.17 0.28 0.00 0.43 0.00 0.00 52.55 53.16 3gua s ASP 68 Cb 0.01 -2.21 1.50 0.00 -0.30 0.00 0.00 42.92 41.92 3gua s ASP 68 CO -0.08 -0.37 1.97 -0.65 -0.17 0.00 0.00 175.17 175.87 3gua h PRO 69 N 8.45 0.00 -0.10 4.34 0.11 -1.93 -0.27 132.00 142.60 3gua h PRO 69 Ca -0.29 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 3gua h PRO 69 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3gua h PRO 69 CO 0.71 0.00 -0.16 -0.91 -0.21 0.00 0.00 178.00 177.43 3gua h ASN 70 N 0.00 0.15 1.43 -2.05 2.35 -1.92 0.36 115.58 115.90 3gua h ASN 70 Ca 0.21 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3gua h ASN 70 Cb 1.01 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3gua h ASN 70 CO -0.00 0.33 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.65 3gua h GLU 71 N 0.15 0.00 -1.39 0.81 5.08 -1.46 -3.37 114.58 114.39 3gua h GLU 71 Ca 0.03 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.85 3gua h GLU 71 Cb 0.38 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.22 3gua h GLU 71 CO 0.02 0.00 -0.83 0.66 -1.00 0.00 0.00 179.01 177.86 3gua n TYR 72 N -2.36 2.92 -3.87 4.33 4.01 -0.66 -4.95 117.16 116.57 3gua n TYR 72 Ca 0.05 -3.03 -0.28 0.00 -0.16 0.00 0.00 57.90 54.48 3gua n TYR 72 Cb 0.45 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 39.35 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 -0.40 -0.42 2.67 2.72 0.00 -1.15 -1.81 105.19 106.80 3gua n GLY 73 Ca 0.33 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.90 -5.23 -4.71 1.61 4.13 0.12 -4.95 115.26 103.32 3gua n ASN 74 Ca -0.07 0.26 -0.42 0.00 1.68 0.00 0.00 54.58 56.03 3gua n ASN 74 Cb 0.58 -3.93 -0.03 0.00 -1.54 0.00 0.00 39.78 34.86 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 -1.85 2.85 -0.15 2.41 1.01 -0.75 -4.91 121.20 119.80 3gua s ILE 75 Ca 0.00 0.57 0.07 0.00 0.00 0.00 0.00 60.65 61.29 3gua s ILE 75 Cb 0.00 -3.37 -0.10 0.00 0.01 0.00 0.00 42.46 39.01 3gua s ILE 75 CO 0.00 0.04 0.22 0.35 0.00 0.00 0.00 174.94 175.55 3gua n THR 76 N 4.08 0.00 -3.57 2.92 -2.24 -1.26 -4.37 114.28 109.83 3gua n THR 76 Ca 0.14 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 3gua n THR 76 Cb 0.40 0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.33 -0.41 0.03 3.42 -4.77 -1.26 -1.20 116.67 110.14 3gua s ASP 77 Ca -0.00 0.48 -0.03 0.00 -3.30 0.00 0.00 52.55 49.69 3gua s ASP 77 Cb 0.05 0.37 -0.02 0.00 -1.09 0.00 0.00 42.92 42.24 3gua s ASP 77 CO 0.30 -0.36 0.04 0.72 0.70 0.00 0.00 175.17 176.56 3gua s PHE 78 N -1.03 0.27 -0.05 2.11 -0.12 -0.08 -4.98 117.98 114.11 3gua s PHE 78 Ca -0.03 -0.60 -0.14 0.00 -0.05 0.00 0.00 56.93 56.11 3gua s PHE 78 Cb -0.01 -0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 42.13 3gua s PHE 78 CO 0.02 -0.31 0.36 1.03 -0.05 0.00 0.00 175.22 176.27 3gua s ARG 79 N -2.47 3.93 0.05 1.99 3.00 -1.26 -0.76 118.95 123.43 3gua s ARG 79 Ca -0.06 0.29 -0.06 0.00 0.00 0.00 0.00 55.73 55.90 3gua s ARG 79 Cb -0.02 -3.26 -0.01 0.00 0.00 0.00 0.00 34.95 31.65 3gua s ARG 79 CO -0.04 0.59 0.10 -0.08 0.00 0.00 0.00 175.30 175.88 3gua s THR 80 N -0.70 0.14 0.31 0.02 -1.32 -0.62 -4.99 115.64 108.48 3gua s THR 80 Ca 0.22 -1.19 -0.29 0.00 -1.21 0.00 0.00 61.69 59.21 3gua s THR 80 Cb -0.15 -1.06 -0.11 0.00 -1.51 0.00 0.00 72.50 69.66 3gua s THR 80 CO 0.10 -0.66 1.52 -0.55 -2.21 0.00 0.00 174.62 172.83 3gua s SER 81 N -2.37 6.44 0.61 8.08 0.15 -1.26 -0.73 113.70 124.62 3gua s SER 81 Ca -0.01 2.91 0.37 0.00 0.70 0.00 0.00 55.95 59.92 3gua s SER 81 Cb 0.01 -2.64 2.02 0.00 -1.71 0.00 0.00 66.02 63.70 3gua s SER 81 CO -0.06 -0.84 2.26 0.00 1.20 0.00 0.00 173.24 175.79 3gua h ALA 82 N 4.33 1.19 0.00 5.45 0.00 -1.43 -0.28 119.26 128.53 3gua h ALA 82 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gua h ALA 82 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gua h ALA 82 CO 0.74 0.02 0.00 0.00 0.00 0.00 0.00 179.25 180.02 3gua n ALA 83 N -2.18 2.09 1.10 0.00 0.00 -1.26 -3.05 120.51 117.21 3gua n ALA 83 Ca -0.03 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3gua n ALA 83 Cb 0.12 -1.40 0.45 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.72 0.37 -4.11 0.00 8.00 -0.11 -4.92 116.55 114.06 3gua n ASP 84 Ca 0.05 -0.13 -0.08 0.00 0.71 0.00 0.00 54.79 55.35 3gua n ASP 84 Cb 0.30 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.85 0.32 0.39 0.53 -4.36 -1.17 -5.06 121.20 109.00 3gua s ILE 85 Ca 0.17 -1.82 -0.27 0.00 -0.26 0.00 0.00 60.65 58.47 3gua s ILE 85 Cb 0.19 -1.53 -0.09 0.00 1.25 0.00 0.00 42.46 42.27 3gua s ILE 85 CO 0.59 -0.96 1.32 0.86 0.24 0.00 0.00 174.94 176.98 3gua s TRP 86 N -3.81 2.83 0.05 1.37 -0.00 -1.26 -4.95 118.94 113.17 3gua s TRP 86 Ca 0.08 1.39 0.02 0.00 -0.00 0.00 0.00 56.10 57.59 3gua s TRP 86 Cb 0.07 -3.70 -0.03 0.00 -0.00 0.00 0.00 33.47 29.82 3gua s TRP 86 CO -0.09 -2.12 -0.07 0.95 -0.00 0.00 0.00 176.95 175.62 3gua s THR 87 N -1.23 0.48 0.54 5.86 -4.23 -1.26 -5.10 115.64 110.71 3gua s THR 87 Ca 0.55 -1.22 -0.18 0.00 -1.18 0.00 0.00 61.69 59.67 3gua s THR 87 Cb -0.39 -0.76 -0.06 0.00 1.34 0.00 0.00 72.50 72.63 3gua s THR 87 CO 0.50 -0.50 1.05 -2.16 -0.54 0.00 0.00 174.62 172.97 3gua s PRO 88 N -2.01 3.55 -0.50 3.99 0.04 -1.26 -4.94 135.00 133.87 3gua s PRO 88 Ca -0.07 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.20 3gua s PRO 88 Cb -0.07 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.50 3gua s PRO 88 CO -0.01 -0.63 2.70 -0.40 0.04 0.00 0.00 177.00 178.70 3gua n ASP 89 N -1.56 6.59 -4.63 6.66 5.75 -1.26 -4.97 116.55 123.12 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 39.38 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 -2.53 3.91 0.17 2.12 -1.09 -1.26 -2.74 121.20 119.79 3gua s ILE 90 Ca 0.58 1.04 0.10 0.00 -2.23 0.00 0.00 60.65 60.15 3gua s ILE 90 Cb 0.39 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 3gua s ILE 90 CO -0.24 -0.33 -0.22 -0.89 -1.23 0.00 0.00 174.94 172.03 3gua s THR 91 N 4.65 2.09 0.06 2.92 2.01 0.60 -4.85 115.64 123.12 3gua s THR 91 Ca 0.64 -1.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.39 3gua s THR 91 Cb -0.22 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 3gua s THR 91 CO 0.25 -0.19 1.04 0.00 -0.69 0.00 0.00 174.62 175.04 3gua s ALA 92 N -1.77 3.26 -0.42 7.40 0.00 -1.26 -1.05 121.76 127.92 3gua s ALA 92 Ca 0.18 0.66 0.22 0.00 0.00 0.00 0.00 51.96 53.02 3gua s ALA 92 Cb -0.07 -3.35 0.31 0.00 0.00 0.00 0.00 23.12 20.01 3gua s ALA 92 CO 0.08 -0.23 1.59 1.88 0.00 0.00 0.00 175.76 179.08 3gua h TYR 93 N 6.28 0.00 -0.53 0.00 0.05 -1.13 -3.36 116.97 118.28 3gua h TYR 93 Ca -0.42 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 57.98 3gua h TYR 93 Cb 1.22 0.00 -0.37 0.00 1.01 0.00 0.00 36.73 38.58 3gua h TYR 93 CO 0.66 0.04 -0.88 -1.13 -1.05 0.00 0.00 178.16 175.80 3gua n SER 94 N -3.10 3.37 -4.79 3.88 3.41 -1.26 -5.03 113.62 110.09 3gua n SER 94 Ca 0.04 -3.17 -0.31 0.00 -0.26 0.00 0.00 58.87 55.17 3gua n SER 94 Cb 0.55 -0.40 0.07 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 -3.52 4.90 0.00 4.04 1.04 -1.26 -1.70 113.70 117.19 3gua s SER 95 Ca 0.42 1.73 0.01 0.00 0.48 0.00 0.00 55.95 58.59 3gua s SER 95 Cb 0.38 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.99 3gua s SER 95 CO -0.01 -1.77 0.33 0.35 0.98 0.00 0.00 173.24 173.12 3gua n THR 96 N -3.34 0.00 -3.85 2.02 -2.24 0.15 -4.78 114.28 102.24 3gua n THR 96 Ca 0.08 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 3gua n THR 96 Cb 0.53 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.55 0.60 0.30 -0.78 1.81 -1.24 -5.04 118.95 114.05 3gua s ARG 97 Ca 0.01 -0.49 -0.30 0.00 -1.72 0.00 0.00 55.73 53.24 3gua s ARG 97 Cb 0.01 0.25 -0.12 0.00 -0.45 0.00 0.00 34.95 34.64 3gua s ARG 97 CO 0.03 -0.16 1.41 -2.30 -0.68 0.00 0.00 175.30 173.60 3gua n PRO 98 N 1.08 2.25 -1.68 3.54 -0.02 -1.26 -4.61 135.00 134.30 3gua n PRO 98 Ca -0.21 0.79 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 3gua n PRO 98 Cb 0.57 -2.45 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 1.24 2.79 -4.27 -1.45 0.31 -1.26 -4.86 118.33 110.82 3gua n VAL 99 Ca 0.08 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.57 3gua n VAL 99 Cb 0.35 -1.44 -0.11 0.00 -0.91 0.00 0.00 33.84 31.73 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 -2.29 3.76 -0.16 5.55 -0.21 -0.64 -4.98 119.66 120.69 3gua s GLN 100 Ca 0.64 -0.47 -0.18 0.00 0.02 0.00 0.00 55.36 55.37 3gua s GLN 100 Cb -0.50 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 3gua s GLN 100 CO 0.56 0.24 0.50 0.08 -2.12 0.00 0.00 175.29 174.54 3gua s VAL 101 N 0.40 5.15 -0.37 1.09 1.01 -1.26 -0.85 120.40 125.57 3gua s VAL 101 Ca -0.02 0.95 0.19 0.00 0.00 0.00 0.00 61.98 63.11 3gua s VAL 101 Cb -0.14 -3.83 -0.26 0.00 0.00 0.00 0.00 36.38 32.15 3gua s VAL 101 CO 0.02 0.25 0.58 0.18 0.00 0.00 0.00 175.10 176.13 3gua n LEU 102 N 4.21 0.35 -4.58 3.92 4.77 0.75 -4.97 117.00 121.45 3gua n LEU 102 Ca -0.06 -0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.46 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 0.43 0.09 -0.35 -0.94 -1.33 0.00 0.00 177.39 175.29 3gua s SER 103 N -3.66 3.81 0.70 -1.43 1.04 -1.24 -4.94 113.70 107.98 3gua s SER 103 Ca -0.01 -1.24 -0.16 0.00 0.48 0.00 0.00 55.95 55.02 3gua s SER 103 Cb 0.13 -0.38 0.02 0.00 0.10 0.00 0.00 66.02 65.89 3gua s SER 103 CO 0.80 -0.29 1.24 -2.84 0.98 0.00 0.00 173.24 173.13 3gua s PRO 104 N -3.65 2.29 -1.18 4.02 0.02 -1.26 -4.84 135.00 130.40 3gua s PRO 104 Ca 0.34 1.89 -0.11 0.00 0.02 0.00 0.00 61.00 63.13 3gua s PRO 104 Cb 0.05 -1.84 0.21 0.00 0.02 0.00 0.00 34.50 32.94 3gua s PRO 104 CO 0.17 -1.75 1.36 1.04 -0.33 0.00 0.00 177.00 177.48 3gua n GLN 105 N -2.39 3.48 -4.41 5.54 1.13 -1.26 -4.82 117.38 114.66 3gua n GLN 105 Ca 0.14 -4.07 -0.21 0.00 -1.94 0.00 0.00 57.00 50.93 3gua n GLN 105 Cb 0.49 -2.85 -0.16 0.00 0.11 0.00 0.00 30.24 27.84 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 0.36 0.83 0.31 5.09 1.01 -1.26 -1.10 121.20 126.44 3gua s ILE 106 Ca 0.38 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.76 3gua s ILE 106 Cb -0.04 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 3gua s ILE 106 CO -0.02 0.27 0.14 0.00 0.00 0.00 0.00 174.94 175.32 3gua s ALA 107 N 0.37 3.48 -0.17 9.38 0.00 0.09 -4.59 121.76 130.33 3gua s ALA 107 Ca -0.06 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.20 3gua s ALA 107 Cb -0.11 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.15 3gua s ALA 107 CO 0.01 0.11 -0.19 0.08 0.00 0.00 0.00 175.76 175.77 3gua s VAL 108 N -2.35 2.21 -0.14 0.00 1.01 -0.28 -1.59 120.40 119.26 3gua s VAL 108 Ca 0.36 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3gua s VAL 108 Cb -0.05 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3gua s VAL 108 CO 0.23 0.53 0.02 -0.69 0.00 0.00 0.00 175.10 175.19 3gua s VAL 109 N 1.12 4.40 0.20 2.92 1.01 0.06 -0.76 120.40 129.35 3gua s VAL 109 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3gua s VAL 109 Cb -0.14 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3gua s VAL 109 CO -0.08 0.52 0.00 -0.89 0.00 0.00 0.00 175.10 174.65 3gua s THR 110 N -0.04 3.65 0.58 3.92 2.01 -0.09 -0.90 115.64 124.78 3gua s THR 110 Ca 0.04 -1.56 0.28 0.00 0.31 0.00 0.00 61.69 60.75 3gua s THR 110 Cb -0.13 -2.87 0.35 0.00 0.01 0.00 0.00 72.50 69.86 3gua s THR 110 CO 0.02 -0.19 2.20 1.12 -0.69 0.00 0.00 174.62 177.08 3gua h HIS 111 N 2.45 0.00 0.00 4.92 2.07 -1.45 0.37 115.15 123.50 3gua h HIS 111 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3gua h HIS 111 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3gua h HIS 111 CO 0.64 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 -1.24 116.55 118.96 3gua n ASP 112 Ca -0.02 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 3gua n ASP 112 Cb 0.15 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 0.56 0.75 3.77 6.12 0.00 0.13 -4.65 105.19 111.87 3gua n GLY 113 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.42 7.37 -0.04 1.61 1.04 -1.20 -0.71 113.70 119.35 3gua s SER 114 Ca 0.00 1.62 0.04 0.00 0.48 0.00 0.00 55.95 58.09 3gua s SER 114 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 3gua s SER 114 CO 0.00 0.17 -0.14 -0.69 0.98 0.00 0.00 173.24 173.56 3gua s VAL 115 N -0.94 3.10 -0.12 5.02 1.01 0.67 -0.91 120.40 128.24 3gua s VAL 115 Ca 0.36 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3gua s VAL 115 Cb -0.23 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3gua s VAL 115 CO 0.26 0.56 -0.14 -0.32 0.00 0.00 0.00 175.10 175.45 3gua s MET 116 N -0.85 2.19 -0.11 2.72 1.75 0.06 -2.65 119.30 122.41 3gua s MET 116 Ca 0.12 -0.54 -0.01 0.00 -1.25 0.00 0.00 55.69 54.02 3gua s MET 116 Cb -0.11 -1.93 0.03 0.00 2.84 0.00 0.00 34.83 35.66 3gua s MET 116 CO 0.01 -0.13 -0.07 0.12 -0.65 0.00 0.00 175.02 174.31 3gua s PHE 117 N 1.18 1.43 -0.55 4.11 5.36 -0.75 -1.13 117.98 127.64 3gua s PHE 117 Ca -0.02 -0.72 0.06 0.00 -0.96 0.00 0.00 56.93 55.28 3gua s PHE 117 Cb -0.14 -1.21 0.21 0.00 -0.34 0.00 0.00 43.02 41.54 3gua s PHE 117 CO -0.05 -0.51 0.53 -0.89 -1.46 0.00 0.00 175.22 172.84 3gua n ILE 118 N 4.96 0.60 -2.55 3.12 5.41 -1.26 -0.25 119.36 129.38 3gua n ILE 118 Ca -0.12 -4.41 -0.40 0.00 1.00 0.00 0.00 62.75 58.81 3gua n ILE 118 Cb 0.50 -1.98 -0.05 0.00 -0.71 0.00 0.00 39.64 37.40 3gua n ILE 118 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3gua s PRO 119 N -1.28 4.69 0.10 0.38 0.04 -1.19 -4.79 135.00 132.95 3gua s PRO 119 Ca 0.33 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.84 3gua s PRO 119 Cb 0.07 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 3gua s PRO 119 CO -0.12 0.27 0.73 0.00 0.04 0.00 0.00 177.00 177.92 3gua s ALA 120 N -1.02 3.44 0.02 8.56 0.00 -1.26 -1.92 121.76 129.59 3gua s ALA 120 Ca 0.44 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3gua s ALA 120 Cb -0.30 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3gua s ALA 120 CO 0.38 0.23 -0.03 -0.65 0.00 0.00 0.00 175.76 175.68 3gua s GLN 121 N -0.73 0.30 -0.22 0.00 -0.21 -0.33 -0.18 119.66 118.29 3gua s GLN 121 Ca 0.35 -0.54 -0.05 0.00 0.02 0.00 0.00 55.36 55.14 3gua s GLN 121 Cb -0.21 0.03 -0.02 0.00 1.00 0.00 0.00 33.01 33.80 3gua s GLN 121 CO 0.24 -0.03 0.01 0.50 -2.12 0.00 0.00 175.29 173.89 3gua s ARG 122 N -1.25 3.57 -0.12 2.91 3.52 -0.03 -1.79 118.95 125.77 3gua s ARG 122 Ca -0.13 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 54.96 3gua s ARG 122 Cb -0.08 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.15 3gua s ARG 122 CO -0.01 -0.11 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.02 3gua s LEU 123 N 1.33 2.45 -0.27 -0.88 2.96 -0.05 -1.62 118.68 122.60 3gua s LEU 123 Ca 0.04 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.42 3gua s LEU 123 Cb -0.15 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 3gua s LEU 123 CO 0.01 0.16 0.17 -0.44 -1.32 0.00 0.00 176.35 174.94 3gua s SER 124 N 0.34 5.94 0.15 3.68 0.01 -1.26 -1.28 113.70 121.28 3gua s SER 124 Ca -0.14 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.12 3gua s SER 124 Cb -0.17 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 3gua s SER 124 CO 0.07 -0.03 -0.00 0.72 0.41 0.00 0.00 173.24 174.41 3gua s PHE 125 N 1.63 1.05 -0.14 2.43 -0.12 -0.52 0.29 117.98 122.60 3gua s PHE 125 Ca 0.07 -1.05 -0.29 0.00 -0.05 0.00 0.00 56.93 55.61 3gua s PHE 125 Cb -0.16 -0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 3gua s PHE 125 CO 0.09 -0.27 1.56 -1.64 -0.05 0.00 0.00 175.22 174.91 3gua s MET 126 N -3.93 4.05 -0.29 1.99 -1.94 -0.69 -1.33 119.30 117.16 3gua s MET 126 Ca 0.21 1.88 -0.14 0.00 -1.71 0.00 0.00 55.69 55.94 3gua s MET 126 Cb 0.06 -3.96 0.11 0.00 2.01 0.00 0.00 34.83 33.05 3gua s MET 126 CO 0.01 -0.98 0.71 0.00 -0.01 0.00 0.00 175.02 174.75 3gua s ASP 128 N 2.12 6.35 -0.14 0.00 2.15 -1.26 -3.26 116.67 122.63 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 -0.08 -2.30 0.34 0.00 -0.30 0.00 0.00 42.92 40.59 3gua s ASP 128 CO -0.19 -0.59 1.17 -0.81 -0.17 0.00 0.00 175.17 174.59 3gua n PRO 129 N 5.95 2.32 -1.82 4.34 -0.04 -1.26 -4.71 135.00 139.78 3gua n PRO 129 Ca -0.03 -1.37 -0.42 0.00 -0.04 0.00 0.00 63.50 61.64 3gua n PRO 129 Cb 0.48 -1.73 -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 -1.66 2.47 0.00 0.52 2.01 -1.26 -2.30 115.64 115.42 3gua s THR 130 Ca 0.24 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3gua s THR 130 Cb 0.19 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.56 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 3.97 0.74 0.25 4.40 0.00 -1.26 -4.43 105.19 108.86 3gua n GLY 131 Ca 0.16 0.00 0.11 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 0.65 -0.01 1.61 3.04 -1.65 -0.94 116.25 118.95 3gua h VAL 132 Ca 0.00 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3gua h VAL 132 Cb 0.00 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 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 -3.72 0.26 -3.77 3.17 5.75 -1.26 -0.22 116.55 116.76 3gua n ASP 133 Ca -0.02 -1.18 -0.16 0.00 -0.01 0.00 0.00 54.79 53.42 3gua n ASP 133 Cb 0.25 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 -0.75 2.08 0.14 -1.12 3.41 -0.37 -4.96 113.62 112.04 3gua n SER 134 Ca 0.21 -2.17 -0.24 0.00 -0.26 0.00 0.00 58.87 56.40 3gua n SER 134 Cb 0.14 -0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 63.91 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 -3.26 114.58 119.14 3gua h GLU 135 Ca -0.22 -0.91 0.00 0.00 -0.13 0.00 0.00 59.36 58.10 3gua h GLU 135 Cb 0.79 0.33 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3gua h GLU 135 CO 0.34 1.43 0.00 -0.85 -0.73 0.00 0.00 179.01 179.20 3gua n GLU 136 N -3.74 0.25 0.00 1.92 0.00 -1.26 -5.00 120.64 112.81 3gua n GLU 136 Ca -0.16 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.28 3gua n GLU 136 Cb 1.08 -1.84 0.00 0.00 0.00 0.00 0.00 31.44 30.68 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 0.91 -1.36 3.53 -1.84 0.00 -1.17 -4.86 105.19 100.42 3gua n GLY 137 Ca 0.04 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.31 2.86 -0.08 4.61 0.00 0.73 -4.32 121.76 124.25 3gua s ALA 138 Ca 0.00 -1.63 0.04 0.00 0.00 0.00 0.00 51.96 50.37 3gua s ALA 138 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3gua s ALA 138 CO 0.00 0.38 -0.19 0.99 0.00 0.00 0.00 175.76 176.94 3gua s THR 139 N -1.98 1.68 0.12 0.00 2.01 -1.26 -1.19 115.64 115.02 3gua s THR 139 Ca 0.26 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.50 3gua s THR 139 Cb -0.07 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 3gua s THR 139 CO 0.15 0.48 -0.11 0.00 -0.69 0.00 0.00 174.62 174.44 3gua s ALA 141 N -2.65 0.08 -0.09 0.00 0.00 -1.26 -0.25 121.76 117.59 3gua s ALA 141 Ca 0.10 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 3gua s ALA 141 Cb -0.02 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.26 3gua s ALA 141 CO 0.01 -0.14 0.22 0.54 0.00 0.00 0.00 175.76 176.39 3gua s VAL 142 N -1.22 -0.02 -0.04 0.00 0.11 -0.18 -4.93 120.40 114.12 3gua s VAL 142 Ca -0.13 0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 58.85 3gua s VAL 142 Cb -0.08 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 3gua s VAL 142 CO -0.01 0.03 0.39 -0.54 -3.33 0.00 0.00 175.10 171.64 3gua s LYS 143 N 0.71 3.97 -0.05 1.54 1.02 -1.26 -0.65 119.74 125.01 3gua s LYS 143 Ca -0.05 0.35 0.05 0.00 0.02 0.00 0.00 55.97 56.34 3gua s LYS 143 Cb -0.06 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 3gua s LYS 143 CO -0.04 0.59 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.73 3gua s PHE 144 N -0.73 2.58 0.02 3.18 0.08 0.48 -0.44 117.98 123.14 3gua s PHE 144 Ca 0.23 -0.41 -0.28 0.00 0.12 0.00 0.00 56.93 56.59 3gua s PHE 144 Cb -0.16 -1.62 0.10 0.00 -0.57 0.00 0.00 43.02 40.77 3gua s PHE 144 CO 0.12 -0.00 1.23 0.20 -0.10 0.00 0.00 175.22 176.67 3gua s GLY 145 N -0.44 -0.19 0.50 4.36 0.00 -0.22 -0.01 107.32 111.32 3gua s GLY 145 Ca 0.05 0.19 -0.23 0.00 0.00 0.00 0.00 44.72 44.73 3gua s GLY 145 CO 0.02 3.10 1.35 -0.45 0.00 0.00 0.00 173.10 177.12 3gua s SER 146 N -3.44 5.64 0.03 1.64 0.15 -1.26 -0.29 113.70 116.17 3gua s SER 146 Ca 0.23 2.76 -0.04 0.00 0.70 0.00 0.00 55.95 59.59 3gua s SER 146 Cb 0.01 -2.64 -0.28 0.00 -1.71 0.00 0.00 66.02 61.40 3gua s SER 146 CO -0.01 -1.32 0.97 -0.25 1.20 0.00 0.00 173.24 173.83 3gua h TRP 147 N 1.90 0.50 0.00 3.44 2.91 -1.88 -3.41 115.95 119.40 3gua h TRP 147 Ca -0.51 -0.36 0.00 0.00 1.13 0.00 0.00 58.89 59.15 3gua h TRP 147 Cb 1.28 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.91 3gua h TRP 147 CO 0.49 1.36 0.00 1.33 -1.03 0.00 0.00 178.44 180.58 3gua n VAL 148 N -3.50 0.00 -3.90 2.65 0.24 -1.26 -5.04 118.33 107.52 3gua n VAL 148 Ca -0.14 -0.39 -0.35 0.00 -2.04 0.00 0.00 64.34 61.43 3gua n VAL 148 Cb 1.04 1.06 -0.09 0.00 -1.47 0.00 0.00 33.84 34.38 3gua n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3gua s TYR 149 N -0.58 3.32 0.89 6.34 2.02 -1.26 -5.11 117.35 122.97 3gua s TYR 149 Ca 0.00 0.18 -0.14 0.00 -0.37 0.00 0.00 57.07 56.74 3gua s TYR 149 Cb 0.00 -2.11 0.15 0.00 -0.40 0.00 0.00 41.96 39.60 3gua s TYR 149 CO 0.00 0.22 1.26 -1.54 -1.57 0.00 0.00 175.55 173.92 3gua s SER 150 N 0.33 3.74 0.60 2.29 1.04 -1.26 -4.70 113.70 115.74 3gua s SER 150 Ca 0.05 0.50 0.33 0.00 0.48 0.00 0.00 55.95 57.31 3gua s SER 150 Cb -0.12 -0.74 1.94 0.00 0.10 0.00 0.00 66.02 67.20 3gua s SER 150 CO -0.01 -2.36 2.27 1.23 0.98 0.00 0.00 173.24 175.35 3gua h GLY 151 N -1.38 0.00 2.00 7.32 0.00 -0.58 -0.16 103.07 110.27 3gua h GLY 151 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3gua h GLY 151 CO 0.51 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.79 3gua h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.93 -3.33 116.94 117.32 3gua h PHE 152 Ca -0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 3gua h PHE 152 Cb 0.03 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 3gua h PHE 152 CO 0.00 0.00 -1.41 0.39 -0.60 0.00 0.00 178.31 176.69 3gua n GLU 153 N -2.75 0.31 -4.09 1.51 4.71 -0.45 -4.30 120.64 115.58 3gua n GLU 153 Ca 0.02 0.13 -0.34 0.00 -0.01 0.00 0.00 57.16 56.96 3gua n GLU 153 Cb 0.32 -1.02 -0.15 0.00 -1.01 0.00 0.00 31.44 29.57 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 -2.34 2.41 0.01 -3.67 1.01 -0.20 -1.03 121.20 117.39 3gua s ILE 154 Ca -0.19 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 3gua s ILE 154 Cb 0.06 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3gua s ILE 154 CO 0.25 0.51 0.22 -0.62 0.00 0.00 0.00 174.94 175.31 3gua s ASP 155 N 1.32 6.41 0.14 3.58 2.15 0.41 -3.79 116.67 126.90 3gua s ASP 155 Ca 0.05 0.42 0.05 0.00 0.43 0.00 0.00 52.55 53.49 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 -0.10 0.24 0.11 -0.76 -0.17 0.00 0.00 175.17 174.49 3gua s LEU 156 N -1.99 3.78 0.07 -1.34 1.43 -1.26 -0.36 118.68 119.01 3gua s LEU 156 Ca 0.29 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 53.07 3gua s LEU 156 Cb -0.13 -2.41 0.05 0.00 0.03 0.00 0.00 46.19 43.73 3gua s LEU 156 CO 0.19 0.10 0.49 -1.59 0.23 0.00 0.00 176.35 175.77 3gua s LYS 157 N -2.89 1.04 0.22 1.70 -2.85 -0.68 -4.91 119.74 111.37 3gua s LYS 157 Ca 0.30 -0.34 0.09 0.00 -1.00 0.00 0.00 55.97 55.03 3gua s LYS 157 Cb -0.11 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 3gua s LYS 157 CO 0.23 -0.38 -0.06 0.95 0.10 0.00 0.00 175.35 176.19 3gua s THR 158 N -2.73 3.29 -0.17 3.79 -4.23 -1.26 -0.61 115.64 113.72 3gua s THR 158 Ca -0.04 -1.80 0.16 0.00 -1.18 0.00 0.00 61.69 58.83 3gua s THR 158 Cb -0.00 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.17 3gua s THR 158 CO -0.04 -0.24 1.28 0.44 -0.54 0.00 0.00 174.62 175.52 3gua h ASP 159 N 2.42 0.00 -5.02 3.99 3.32 -1.97 -3.48 116.42 115.68 3gua h ASP 159 Ca -0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3gua h ASP 159 Cb 1.23 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 3gua h ASP 159 CO 0.57 0.47 0.15 0.28 -1.72 0.00 0.00 179.24 179.00 3gua s THR 160 N -2.98 0.01 -0.65 0.35 -1.32 -1.26 -5.04 115.64 104.75 3gua s THR 160 Ca 0.02 -0.15 0.25 0.00 -1.21 0.00 0.00 61.69 60.61 3gua s THR 160 Cb 0.08 -1.06 0.25 0.00 -1.51 0.00 0.00 72.50 70.26 3gua s THR 160 CO 0.76 -0.07 1.65 0.44 -2.21 0.00 0.00 174.62 175.20 3gua h ASP 161 N 2.08 0.00 -3.42 8.08 3.32 -1.93 -3.44 116.42 121.11 3gua h ASP 161 Ca -0.34 -0.03 -0.60 0.00 0.02 0.00 0.00 57.03 56.08 3gua h ASP 161 Cb 1.30 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.74 3gua h ASP 161 CO 0.40 0.02 0.33 -1.10 -1.72 0.00 0.00 179.24 177.16 3gua s GLN 162 N -3.14 4.04 0.18 3.56 -1.52 -1.26 -0.20 119.66 121.32 3gua s GLN 162 Ca 0.09 0.62 -0.31 0.00 -1.95 0.00 0.00 55.36 53.81 3gua s GLN 162 Cb 0.11 -3.69 -0.10 0.00 -0.22 0.00 0.00 33.01 29.11 3gua s GLN 162 CO 0.64 -0.57 1.53 0.08 -0.25 0.00 0.00 175.29 176.72 3gua s VAL 163 N 2.78 2.66 -0.30 1.09 1.01 -0.75 -4.83 120.40 122.06 3gua s VAL 163 Ca 0.30 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 3gua s VAL 163 Cb -0.15 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3gua s VAL 163 CO 0.10 0.05 1.68 -0.62 0.00 0.00 0.00 175.10 176.31 3gua s ASP 164 N 0.98 6.13 -0.03 3.32 2.15 -0.13 -4.86 116.67 124.23 3gua s ASP 164 Ca 0.67 1.36 0.14 0.00 0.43 0.00 0.00 52.55 55.15 3gua s ASP 164 Cb -0.43 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.10 3gua s ASP 164 CO 0.34 -1.51 1.37 0.18 -0.17 0.00 0.00 175.17 175.37 3gua n LEU 165 N 9.41 3.42 0.08 -1.34 4.77 -1.26 -1.99 117.00 130.09 3gua n LEU 165 Ca 0.21 -2.16 0.12 0.00 -0.03 0.00 0.00 56.01 54.14 3gua n LEU 165 Cb 0.46 -0.35 0.45 0.00 -2.33 0.00 0.00 43.42 41.65 3gua n LEU 165 CO 0.67 0.78 0.85 -1.54 -1.33 0.00 0.00 177.39 176.83 3gua n SER 166 N 0.68 0.51 -0.46 -1.43 3.41 -1.26 -2.44 113.62 112.63 3gua n SER 166 Ca 0.17 0.59 0.04 0.00 -0.26 0.00 0.00 58.87 59.41 3gua n SER 166 Cb 0.56 -0.71 0.11 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.02 2.67 -4.72 4.04 7.64 -1.26 -5.02 113.62 114.95 3gua n SER 167 Ca 0.04 -2.00 -0.42 0.00 1.01 0.00 0.00 58.87 57.50 3gua n SER 167 Cb 0.29 -0.17 -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 -1.00 3.07 -0.24 1.43 5.04 -1.02 -4.58 117.35 120.04 3gua s TYR 168 Ca 0.17 0.67 -0.34 0.00 -2.44 0.00 0.00 57.07 55.13 3gua s TYR 168 Cb 0.09 -3.91 -0.10 0.00 0.35 0.00 0.00 41.96 38.39 3gua s TYR 168 CO 0.11 -3.32 2.08 0.98 -1.34 0.00 0.00 175.55 174.07 3gua n TYR 169 N 3.88 1.92 -0.34 4.97 9.36 0.18 -4.83 117.16 132.31 3gua n TYR 169 Ca 0.13 0.12 0.13 0.00 3.32 0.00 0.00 57.90 61.61 3gua n TYR 169 Cb 0.39 -2.61 0.34 0.00 -0.63 0.00 0.00 39.34 36.83 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 11.67 1.74 -0.60 2.98 0.00 -1.89 -2.48 119.26 130.68 3gua h ALA 170 Ca -0.38 0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.29 3gua h ALA 170 Cb 1.29 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.81 3gua h ALA 170 CO 0.98 -0.08 0.20 0.43 0.00 0.00 0.00 179.25 180.79 3gua n SER 171 N -4.69 3.07 -4.69 0.00 7.64 -1.26 -5.02 113.62 108.66 3gua n SER 171 Ca 0.22 -3.68 -0.31 0.00 1.01 0.00 0.00 58.87 56.11 3gua n SER 171 Cb 0.56 -0.71 0.15 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.02 3.25 0.50 6.43 0.15 -0.94 -4.91 113.70 116.16 3gua s SER 172 Ca 0.49 2.15 0.26 0.00 0.70 0.00 0.00 55.95 59.56 3gua s SER 172 Cb 0.43 -2.56 1.28 0.00 -1.71 0.00 0.00 66.02 63.46 3gua s SER 172 CO 0.05 -2.89 2.00 0.11 1.20 0.00 0.00 173.24 173.71 3gua h LYS 173 N -1.64 0.00 -5.58 5.44 1.79 -1.91 -3.44 116.57 111.24 3gua h LYS 173 Ca -0.43 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.47 3gua h LYS 173 Cb 1.27 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.61 3gua h LYS 173 CO 0.44 0.16 -0.84 0.71 -1.08 0.00 0.00 179.45 178.83 3gua s TYR 174 N -4.04 1.72 0.05 -1.35 2.02 -1.26 -1.58 117.35 112.91 3gua s TYR 174 Ca -0.02 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 3gua s TYR 174 Cb 0.12 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 3gua s TYR 174 CO 0.60 -0.10 0.08 -1.83 -1.57 0.00 0.00 175.55 172.74 3gua s GLU 175 N -0.21 2.97 -0.15 -0.62 -1.05 -0.21 -4.76 118.70 114.67 3gua s GLU 175 Ca 0.02 -0.61 -0.23 0.00 -0.15 0.00 0.00 54.97 54.00 3gua s GLU 175 Cb -0.09 -2.78 -0.03 0.00 -0.44 0.00 0.00 34.13 30.79 3gua s GLU 175 CO 0.01 0.60 0.71 0.42 0.95 0.00 0.00 175.26 177.94 3gua s ILE 176 N -1.32 4.99 -0.11 1.83 -1.09 -1.26 -2.21 121.20 122.03 3gua s ILE 176 Ca 0.27 1.39 -0.02 0.00 -2.23 0.00 0.00 60.65 60.06 3gua s ILE 176 Cb -0.12 -4.03 -0.25 0.00 -1.58 0.00 0.00 42.46 36.48 3gua s ILE 176 CO 0.19 0.13 0.41 0.18 -1.23 0.00 0.00 174.94 174.63 3gua n LEU 177 N 4.70 2.24 -3.49 2.97 4.77 0.20 -4.98 117.00 123.40 3gua n LEU 177 Ca 0.00 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 56.08 3gua n LEU 177 Cb 0.50 -0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 3gua n LEU 177 CO 0.46 0.75 0.47 -0.94 -1.33 0.00 0.00 177.39 176.80 3gua s SER 178 N -6.80 -0.59 -0.14 -1.43 1.04 -1.02 -4.98 113.70 99.77 3gua s SER 178 Ca -0.19 0.41 -0.04 0.00 0.48 0.00 0.00 55.95 56.61 3gua s SER 178 Cb 0.07 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.79 3gua s SER 178 CO 0.78 -0.71 0.24 0.00 0.98 0.00 0.00 173.24 174.53 3gua s ALA 179 N -2.17 -0.45 0.22 5.32 0.00 -1.26 -0.72 121.76 122.70 3gua s ALA 179 Ca -0.05 0.74 0.11 0.00 0.00 0.00 0.00 51.96 52.76 3gua s ALA 179 Cb -0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 3gua s ALA 179 CO 0.00 -0.76 -0.22 0.95 0.00 0.00 0.00 175.76 175.73 3gua s THR 180 N 2.39 2.37 -0.12 0.00 -4.23 -0.50 -1.80 115.64 113.74 3gua s THR 180 Ca 0.03 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 58.37 3gua s THR 180 Cb -0.13 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.57 3gua s THR 180 CO -0.09 -0.23 -0.05 0.00 -0.54 0.00 0.00 174.62 173.71 3gua s GLN 181 N -2.97 1.28 -0.04 3.99 -2.07 0.72 -1.23 119.66 119.34 3gua s GLN 181 Ca 0.24 -0.26 0.04 0.00 -1.82 0.00 0.00 55.36 53.56 3gua s GLN 181 Cb -0.07 -1.60 -0.00 0.00 -1.09 0.00 0.00 33.01 30.25 3gua s GLN 181 CO 0.11 -0.33 -0.14 0.99 -1.32 0.00 0.00 175.29 174.60 3gua s THR 182 N 1.75 1.20 0.20 3.63 2.01 -0.67 -4.27 115.64 119.48 3gua s THR 182 Ca 0.04 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 3gua s THR 182 Cb -0.13 -1.04 -0.08 0.00 0.01 0.00 0.00 72.50 71.26 3gua s THR 182 CO -0.08 0.35 0.99 -0.60 -0.69 0.00 0.00 174.62 174.59 3gua s ARG 183 N 0.11 4.75 -0.02 4.92 3.52 -1.26 0.75 118.95 131.73 3gua s ARG 183 Ca -0.04 1.55 0.04 0.00 -0.13 0.00 0.00 55.73 57.15 3gua s ARG 183 Cb -0.11 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 3gua s ARG 183 CO 0.02 0.33 -0.14 -0.65 -0.81 0.00 0.00 175.30 174.05 3gua s GLN 184 N -0.76 1.16 -0.32 5.12 -0.21 0.23 -4.91 119.66 119.96 3gua s GLN 184 Ca 0.44 -0.48 -0.07 0.00 0.02 0.00 0.00 55.36 55.27 3gua s GLN 184 Cb -0.26 -1.10 0.02 0.00 1.00 0.00 0.00 33.01 32.67 3gua s GLN 184 CO 0.33 0.27 0.11 0.08 -2.12 0.00 0.00 175.29 173.96 3gua s VAL 185 N -0.23 3.99 -0.15 1.09 1.01 -1.26 -1.83 120.40 123.02 3gua s VAL 185 Ca 0.04 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3gua s VAL 185 Cb -0.06 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3gua s VAL 185 CO -0.00 -0.07 0.14 -1.10 0.00 0.00 0.00 175.10 174.07 3gua s GLN 186 N 1.47 3.74 -0.12 2.72 -1.52 0.64 -4.96 119.66 121.64 3gua s GLN 186 Ca 0.01 -0.16 0.02 0.00 -1.95 0.00 0.00 55.36 53.28 3gua s GLN 186 Cb -0.18 -3.28 -0.01 0.00 -0.22 0.00 0.00 33.01 29.32 3gua s GLN 186 CO 0.03 0.59 -0.17 -1.01 -0.25 0.00 0.00 175.29 174.48 3gua s HIS 187 N -0.48 2.71 0.11 0.91 3.76 -1.26 -1.25 115.29 119.79 3gua s HIS 187 Ca 0.12 -0.78 0.09 0.00 -0.15 0.00 0.00 55.06 54.34 3gua s HIS 187 Cb -0.12 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 3gua s HIS 187 CO 0.02 -0.28 -0.17 0.71 -0.85 0.00 0.00 174.74 174.17 3gua s TYR 188 N 0.31 2.56 0.31 1.40 2.02 -1.26 -5.05 117.35 117.65 3gua s TYR 188 Ca -0.13 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 3gua s TYR 188 Cb -0.17 -1.36 0.49 0.00 -0.40 0.00 0.00 41.96 40.53 3gua s TYR 188 CO 0.07 0.39 1.98 1.03 -1.57 0.00 0.00 175.55 177.45 3gua h SER 189 N 3.72 0.89 0.89 2.29 0.87 -1.99 -2.20 113.55 118.03 3gua h SER 189 Ca -0.50 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 59.94 3gua h SER 189 Cb 1.17 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 3gua h SER 189 CO 0.47 0.65 -0.48 0.00 -0.53 0.00 0.00 176.83 176.93 3gua h PRO 192 N 8.18 0.00 -6.65 0.00 0.11 -1.91 -3.38 132.00 128.35 3gua h PRO 192 Ca -0.24 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.35 3gua h PRO 192 Cb 1.12 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.25 3gua h PRO 192 CO 0.37 0.11 0.57 -1.83 -0.21 0.00 0.00 178.00 177.01 3gua s GLU 193 N -3.42 4.48 0.48 1.05 1.03 -1.26 -5.03 118.70 116.02 3gua s GLU 193 Ca 0.03 1.88 -0.19 0.00 0.03 0.00 0.00 54.97 56.72 3gua s GLU 193 Cb 0.08 -3.25 -0.09 0.00 -0.80 0.00 0.00 34.13 30.07 3gua s GLU 193 CO 0.63 -0.12 0.98 -1.25 -1.33 0.00 0.00 175.26 174.17 3gua s PRO 194 N -0.09 4.02 0.03 -4.83 0.04 -1.26 -4.70 135.00 128.20 3gua s PRO 194 Ca 0.54 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.75 3gua s PRO 194 Cb -0.33 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 3gua s PRO 194 CO 0.36 -0.22 -0.20 0.71 0.04 0.00 0.00 177.00 177.70 3gua s TYR 195 N -2.32 2.52 0.12 0.56 2.02 -0.38 -0.07 117.35 119.80 3gua s TYR 195 Ca 0.62 -0.28 0.06 0.00 -0.37 0.00 0.00 57.07 57.10 3gua s TYR 195 Cb -0.11 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 3gua s TYR 195 CO 0.21 0.20 -0.04 0.42 -1.57 0.00 0.00 175.55 174.78 3gua s ILE 196 N -0.86 3.72 0.20 2.71 -1.09 -1.26 -0.26 121.20 124.35 3gua s ILE 196 Ca 0.13 -1.19 -0.10 0.00 -2.23 0.00 0.00 60.65 57.26 3gua s ILE 196 Cb -0.10 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 3gua s ILE 196 CO 0.04 0.06 0.34 1.51 -1.23 0.00 0.00 174.94 175.66 3gua s ASP 197 N -2.43 -0.01 -0.19 3.58 1.47 -0.76 -4.45 116.67 113.88 3gua s ASP 197 Ca 0.25 -0.94 -0.03 0.00 1.18 0.00 0.00 52.55 53.01 3gua s ASP 197 Cb -0.11 0.49 -0.02 0.00 -0.34 0.00 0.00 42.92 42.94 3gua s ASP 197 CO 0.17 -0.98 -0.05 -0.69 0.68 0.00 0.00 175.17 174.30 3gua s VAL 198 N -4.00 3.53 -0.44 2.11 1.01 0.98 -0.60 120.40 122.98 3gua s VAL 198 Ca 0.21 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 3gua s VAL 198 Cb 0.02 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.86 3gua s VAL 198 CO 0.05 0.45 0.48 0.21 0.00 0.00 0.00 175.10 176.29 3gua s ASN 199 N 1.00 6.20 -0.30 3.32 2.47 0.23 -0.39 114.94 127.48 3gua s ASN 199 Ca 0.00 -0.77 -0.23 0.00 0.42 0.00 0.00 52.86 52.28 3gua s ASN 199 Cb -0.15 -2.24 -0.00 0.00 -1.45 0.00 0.00 41.25 37.42 3gua s ASN 199 CO 0.00 -0.66 0.78 -0.22 -3.72 0.00 0.00 177.10 173.28 3gua s LEU 200 N 2.22 4.09 -0.18 3.21 2.96 0.17 -1.67 118.68 129.48 3gua s LEU 200 Ca 0.12 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 3gua s LEU 200 Cb -0.18 -3.07 0.03 0.00 0.50 0.00 0.00 46.19 43.47 3gua s LEU 200 CO 0.13 -0.60 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.70 3gua s VAL 201 N 2.93 1.91 -0.13 1.68 1.01 -0.36 -1.01 120.40 126.42 3gua s VAL 201 Ca 0.32 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3gua s VAL 201 Cb -0.14 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 3gua s VAL 201 CO 0.12 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.80 3gua s VAL 202 N 1.34 2.55 -0.26 2.92 1.01 0.66 -1.41 120.40 127.19 3gua s VAL 202 Ca 0.03 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 3gua s VAL 202 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3gua s VAL 202 CO -0.11 0.53 0.10 -0.54 0.00 0.00 0.00 175.10 175.08 3gua s LYS 203 N 0.56 3.65 0.17 2.72 1.02 0.10 -0.51 119.74 127.45 3gua s LYS 203 Ca -0.11 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.39 3gua s LYS 203 Cb -0.16 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 3gua s LYS 203 CO 0.04 -0.23 0.05 -0.59 -0.92 0.00 0.00 175.35 173.70 3gua s PHE 204 N 1.64 1.10 0.19 3.18 -0.12 -0.33 0.59 117.98 124.23 3gua s PHE 204 Ca 0.06 -1.16 -0.15 0.00 -0.05 0.00 0.00 56.93 55.63 3gua s PHE 204 Cb -0.16 -0.62 0.01 0.00 -0.63 0.00 0.00 43.02 41.63 3gua s PHE 204 CO 0.05 -0.39 0.45 -0.98 -0.05 0.00 0.00 175.22 174.30 3gua s ARG 205 N -4.01 1.35 0.35 1.99 1.70 -0.94 -0.19 118.95 119.20 3gua s ARG 205 Ca 0.27 -1.00 -0.28 0.00 -0.47 0.00 0.00 55.73 54.24 3gua s ARG 205 Cb 0.07 0.48 -0.10 0.00 -0.57 0.00 0.00 34.95 34.82 3gua s ARG 205 CO 0.05 -0.55 1.37 -1.21 -1.08 0.00 0.00 175.30 173.87 3gua s GLU 206 N -3.92 4.26 0.54 3.89 2.02 0.69 -1.05 118.70 125.14 3gua s GLU 206 Ca 0.13 2.33 -0.20 0.00 0.02 0.00 0.00 54.97 57.25 3gua s GLU 206 Cb 0.00 -3.03 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 3gua s GLU 206 CO -0.00 -0.31 1.18 -0.98 0.02 0.00 0.00 175.26 175.17 3gua s ARG 207 N -1.91 3.31 0.00 1.61 3.03 -0.61 -4.72 118.95 119.66 3gua s ARG 207 Ca 0.50 1.77 0.00 0.00 2.03 0.00 0.00 55.73 60.03 3gua s ARG 207 Cb -0.42 -2.09 0.00 0.00 -1.03 0.00 0.00 34.95 31.41 3gua s ARG 207 CO 0.56 -0.92 0.38 0.54 -1.13 0.00 0.00 175.30 174.74