#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 1.17 -0.15 2.11 -1.99 -2.05 -1.90 116.97 114.16 3gua h TYR -7 Ca 0.00 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.63 3gua h TYR -7 Cb 0.00 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.38 3gua h TYR -7 CO 0.00 0.89 0.06 -0.22 -0.00 0.00 0.00 178.16 178.88 3gua h LYS -6 N 1.11 0.22 -0.00 4.88 3.64 -2.05 0.77 116.57 125.14 3gua h LYS -6 Ca 0.25 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3gua h LYS -6 Cb 0.23 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3gua h LYS -6 CO -0.02 0.32 -0.02 -0.40 -2.27 0.00 0.00 179.45 177.06 3gua n ASP -5 N -4.87 0.09 0.06 4.20 3.85 -1.22 -0.02 116.55 118.63 3gua n ASP -5 Ca -0.05 -0.36 -0.20 0.00 -0.71 0.00 0.00 54.79 53.46 3gua n ASP -5 Cb 0.12 -0.20 -0.13 0.00 -1.35 0.00 0.00 41.12 39.56 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 0.11 0.65 0.30 -1.12 3.32 -0.90 -2.94 116.42 115.84 3gua h ASP -4 Ca 0.00 -0.85 -0.11 0.00 0.02 0.00 0.00 57.03 56.09 3gua h ASP -4 Cb 0.25 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3gua h ASP -4 CO 0.00 1.44 -0.43 -0.78 -1.72 0.00 0.00 179.24 177.75 3gua h ASP -3 N -0.05 0.18 0.09 6.45 3.58 -0.55 -2.25 116.42 123.88 3gua h ASP -3 Ca -0.15 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.22 3gua h ASP -3 Cb 1.68 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.68 3gua h ASP -3 CO 0.18 0.60 -0.04 0.44 -2.88 0.00 0.00 179.24 177.53 3gua h ASP -2 N 0.15 -0.10 -0.74 2.28 3.32 -0.54 -0.42 116.42 120.36 3gua h ASP -2 Ca 0.01 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 3gua h ASP -2 Cb 0.83 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 3gua h ASP -2 CO 0.06 0.08 0.35 0.11 -1.72 0.00 0.00 179.24 178.12 3gua h LYS -1 N -0.28 1.09 -0.73 3.56 1.57 -1.42 -1.57 116.57 118.79 3gua h LYS -1 Ca -0.01 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3gua h LYS -1 Cb 0.24 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3gua h LYS -1 CO 0.02 0.85 0.42 -0.07 -0.57 0.00 0.00 179.45 180.10 3gua h LEU 0 N 1.08 0.89 -0.09 2.94 3.38 -1.37 -1.15 115.31 120.99 3gua h LEU 0 Ca 0.26 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3gua h LEU 0 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3gua h LEU 0 CO -0.03 0.71 0.02 -0.74 0.09 0.00 0.00 178.44 178.49 3gua h HIS 1 N 1.00 0.04 -0.28 1.13 2.76 -0.30 -0.79 115.15 118.70 3gua h HIS 1 Ca 0.26 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3gua h HIS 1 Cb -0.01 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 3gua h HIS 1 CO -0.01 0.02 0.07 0.66 -1.30 0.00 0.00 177.93 177.37 3gua h SER 2 N 0.06 0.36 -0.13 3.26 4.64 -1.09 -1.15 113.55 119.50 3gua h SER 2 Ca 0.04 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3gua h SER 2 Cb 0.02 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3gua h SER 2 CO -0.04 0.36 -0.05 1.56 -0.87 0.00 0.00 176.83 177.79 3gua h GLN 3 N 0.39 0.27 -0.93 4.77 4.20 -0.95 -2.91 115.11 119.96 3gua h GLN 3 Ca 0.10 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3gua h GLN 3 Cb 0.15 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 3gua h GLN 3 CO -0.00 0.59 0.59 0.00 -0.67 0.00 0.00 178.83 179.33 3gua h ALA 4 N 0.67 1.18 -0.43 3.87 0.00 -0.60 -1.02 119.26 122.92 3gua h ALA 4 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3gua h ALA 4 Cb 0.50 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3gua h ALA 4 CO 0.02 0.60 0.26 -0.91 0.00 0.00 0.00 179.25 179.23 3gua h ASN 5 N 1.26 0.43 -0.60 0.00 2.35 -1.25 0.30 115.58 118.08 3gua h ASN 5 Ca 0.34 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 3gua h ASN 5 Cb -0.10 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3gua h ASN 5 CO -0.07 0.31 0.32 0.25 -1.65 0.00 0.00 177.43 176.60 3gua h LEU 6 N 0.53 0.75 -0.48 1.61 5.85 -1.26 -0.66 115.31 121.65 3gua h LEU 6 Ca 0.17 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3gua h LEU 6 Cb -0.01 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3gua h LEU 6 CO -0.07 0.63 0.29 -0.03 -0.34 0.00 0.00 178.44 178.92 3gua h MET 7 N 0.81 0.57 -0.15 1.25 4.05 -0.86 -0.38 114.93 120.21 3gua h MET 7 Ca 0.21 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.62 3gua h MET 7 Cb 0.05 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 3gua h MET 7 CO -0.03 0.38 -0.00 -0.09 0.23 0.00 0.00 176.91 177.39 3gua h ARG 8 N 0.58 0.05 0.11 0.39 2.43 -0.67 0.19 114.38 117.46 3gua h ARG 8 Ca 0.19 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3gua h ARG 8 Cb 0.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3gua h ARG 8 CO -0.08 0.03 -0.06 1.25 -1.51 0.00 0.00 179.97 179.60 3gua h LEU 9 N 0.05 -0.14 -0.45 3.80 5.85 -0.64 0.62 115.31 124.39 3gua h LEU 9 Ca 0.07 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3gua h LEU 9 Cb 0.08 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3gua h LEU 9 CO -0.12 -0.10 0.17 0.11 -0.34 0.00 0.00 178.44 178.17 3gua h LYS 10 N -0.15 0.69 -0.85 1.25 1.57 -0.99 0.18 116.57 118.27 3gua h LYS 10 Ca -0.01 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3gua h LYS 10 Cb 0.12 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3gua h LYS 10 CO 0.02 0.64 0.52 1.03 -0.57 0.00 0.00 179.45 181.08 3gua h SER 11 N 0.59 1.01 -0.41 0.86 0.87 -0.78 -0.03 113.55 115.67 3gua h SER 11 Ca 0.15 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 3gua h SER 11 Cb 0.21 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3gua h SER 11 CO -0.01 0.78 -0.20 0.44 -0.53 0.00 0.00 176.83 177.31 3gua h ASP 12 N 1.16 0.89 -0.29 6.23 3.32 -0.52 -1.45 116.42 125.76 3gua h ASP 12 Ca 0.30 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 3gua h ASP 12 Cb -0.05 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3gua h ASP 12 CO -0.06 1.10 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.29 3gua h LEU 13 N 0.68 0.76 -0.00 1.55 3.38 -0.32 -2.76 115.31 118.60 3gua h LEU 13 Ca 0.09 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3gua h LEU 13 Cb 0.76 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3gua h LEU 13 CO 0.06 0.95 -0.35 0.15 0.09 0.00 0.00 178.44 179.34 3gua h PHE 14 N 0.66 0.36 0.00 1.13 3.57 -0.98 -3.29 116.94 118.40 3gua h PHE 14 Ca 0.10 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3gua h PHE 14 Cb 0.70 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3gua h PHE 14 CO 0.04 1.00 0.00 0.09 -2.23 0.00 0.00 178.31 177.21 3gua n ASN 15 N -4.42 0.00 -4.75 0.41 3.02 -0.55 -4.88 115.26 104.09 3gua n ASN 15 Ca -0.10 -1.09 -0.41 0.00 -0.03 0.00 0.00 54.58 52.95 3gua n ASN 15 Cb 0.55 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 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 4.29 1.02 3.52 1.70 -1.04 -4.95 118.95 121.49 3gua s ARG 16 Ca 0.29 2.26 -0.12 0.00 -0.47 0.00 0.00 55.73 57.69 3gua s ARG 16 Cb 0.13 -3.11 0.20 0.00 -0.57 0.00 0.00 34.95 31.61 3gua s ARG 16 CO 0.23 -0.35 1.08 0.45 -1.08 0.00 0.00 175.30 175.62 3gua s SER 17 N 0.16 2.34 -0.02 -2.89 0.15 -1.26 -2.53 113.70 109.65 3gua s SER 17 Ca 0.57 1.36 -0.00 0.00 0.70 0.00 0.00 55.95 58.58 3gua s SER 17 Cb -0.41 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 3gua s SER 17 CO 0.45 -3.33 0.01 -2.65 1.20 0.00 0.00 173.24 168.91 3gua n PRO 18 N -4.33 -1.41 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 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 3gua n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gua n MET 19 N -0.56 0.00 0.00 -0.52 0.00 -1.05 -4.18 117.12 110.80 3gua n MET 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3gua n MET 19 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.33 3gua n MET 19 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 3gua n TYR 20 N 0.00 0.00 -1.01 3.17 4.19 -1.26 -4.93 117.16 117.33 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 0.25 0.00 0.49 0.00 0.00 39.34 40.08 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 3.13 0.00 2.98 -0.04 -1.26 -4.99 135.00 134.82 3gua n PRO 21 Ca 0.00 -2.92 0.00 0.00 -0.04 0.00 0.00 63.50 60.54 3gua n PRO 21 Cb 0.00 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 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 -0.45 -0.98 3.75 0.55 0.00 -1.26 -4.97 105.19 101.83 3gua n GLY 22 Ca 0.46 -1.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.03 2.99 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 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 3gua s PRO 23 CO 0.00 -1.24 0.18 0.95 0.04 0.00 0.00 177.00 176.93 3gua s THR 24 N -1.45 0.27 0.19 1.26 -4.23 -1.12 -4.97 115.64 105.59 3gua s THR 24 Ca 0.76 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.15 3gua s THR 24 Cb -0.35 -2.49 0.10 0.00 1.34 0.00 0.00 72.50 71.11 3gua s THR 24 CO 0.39 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 176.37 3gua h LYS 25 N 2.16 0.53 0.00 3.99 1.57 -1.92 -1.86 116.57 121.04 3gua h LYS 25 Ca -0.32 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3gua h LYS 25 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3gua h LYS 25 CO 0.49 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 179.47 3gua n ASP 26 N -4.87 0.00 -3.04 0.86 8.00 -1.26 -4.06 116.55 112.19 3gua n ASP 26 Ca 0.06 0.43 -0.15 0.00 0.71 0.00 0.00 54.79 55.84 3gua n ASP 26 Cb 0.16 -0.47 -0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3gua n ASP 26 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gua n ASP 27 N -1.47 0.58 -4.39 -2.24 2.03 -0.86 -5.13 116.55 105.05 3gua n ASP 27 Ca 0.07 -3.01 -0.29 0.00 0.52 0.00 0.00 54.79 52.08 3gua n ASP 27 Cb 0.27 -0.33 0.18 0.00 -0.72 0.00 0.00 41.12 40.53 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 -2.24 0.17 -0.01 -0.67 0.04 -0.75 -2.81 135.00 128.72 3gua s PRO 28 Ca 0.36 0.15 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 3gua s PRO 28 Cb 0.37 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 33.17 3gua s PRO 28 CO -0.06 -2.83 0.11 -1.17 0.04 0.00 0.00 177.00 173.10 3gua s LEU 29 N -6.40 1.64 -0.18 -3.56 2.96 0.10 -4.92 118.68 108.32 3gua s LEU 29 Ca 0.68 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 3gua s LEU 29 Cb -0.13 0.54 -0.00 0.00 0.50 0.00 0.00 46.19 47.10 3gua s LEU 29 CO 0.55 -0.28 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.28 3gua s THR 30 N -1.05 2.81 -0.20 3.68 2.01 -1.26 -0.54 115.64 121.09 3gua s THR 30 Ca -0.11 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 3gua s THR 30 Cb -0.06 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3gua s THR 30 CO 0.01 0.49 0.08 -0.69 -0.69 0.00 0.00 174.62 173.82 3gua s VAL 31 N 1.09 4.84 -0.21 3.82 1.01 0.60 -4.40 120.40 127.14 3gua s VAL 31 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 3gua s VAL 31 Cb -0.14 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3gua s VAL 31 CO -0.03 0.43 0.26 -0.89 0.00 0.00 0.00 175.10 174.87 3gua s THR 32 N 0.57 5.31 -0.04 3.92 2.01 0.25 -1.41 115.64 126.24 3gua s THR 32 Ca 0.04 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.47 3gua s THR 32 Cb -0.13 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 3gua s THR 32 CO 0.01 0.34 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.48 3gua s LEU 33 N 0.92 3.32 0.01 4.42 1.43 0.15 -1.79 118.68 127.14 3gua s LEU 33 Ca 0.13 -0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 3gua s LEU 33 Cb -0.13 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 3gua s LEU 33 CO 0.05 0.33 0.13 -0.83 0.23 0.00 0.00 176.35 176.25 3gua s GLY 34 N -1.10 0.08 -0.11 -3.19 0.00 -0.87 -4.23 107.32 97.90 3gua s GLY 34 Ca 0.15 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.67 3gua s GLY 34 CO 0.05 -0.37 -0.22 -1.36 0.00 0.00 0.00 173.10 171.19 3gua s PHE 35 N -1.67 2.50 -0.40 1.90 0.08 -1.26 -1.09 117.98 118.05 3gua s PHE 35 Ca -0.13 -1.09 -0.13 0.00 0.12 0.00 0.00 56.93 55.70 3gua s PHE 35 Cb -0.06 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.73 3gua s PHE 35 CO 0.00 -0.46 0.26 0.99 -0.10 0.00 0.00 175.22 175.90 3gua s THR 36 N 0.51 4.86 -0.22 0.64 2.01 -0.42 -0.82 115.64 122.19 3gua s THR 36 Ca -0.15 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 3gua s THR 36 Cb -0.17 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 3gua s THR 36 CO 0.05 -0.30 0.66 -0.22 -0.69 0.00 0.00 174.62 174.13 3gua s LEU 37 N 1.60 4.11 -0.25 4.42 2.96 -0.93 -0.19 118.68 130.40 3gua s LEU 37 Ca 0.03 0.82 -0.15 0.00 -0.22 0.00 0.00 54.13 54.61 3gua s LEU 37 Cb -0.20 -2.92 -0.15 0.00 0.50 0.00 0.00 46.19 43.42 3gua s LEU 37 CO 0.08 -0.34 -0.13 0.00 -1.32 0.00 0.00 176.35 174.63 3gua n GLN 38 N 5.42 0.59 -3.69 1.98 6.02 0.31 -3.29 117.38 124.72 3gua n GLN 38 Ca -0.00 0.36 -0.14 0.00 -0.01 0.00 0.00 57.00 57.22 3gua n GLN 38 Cb 0.49 -1.59 -0.09 0.00 1.02 0.00 0.00 30.24 30.08 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 -7.22 -0.54 -0.47 1.08 2.15 -0.93 0.39 116.67 111.13 3gua s ASP 39 Ca -0.35 1.02 -0.18 0.00 0.43 0.00 0.00 52.55 53.47 3gua s ASP 39 Cb 0.11 1.04 0.04 0.00 -0.30 0.00 0.00 42.92 43.81 3gua s ASP 39 CO 0.54 -0.21 0.55 -0.63 -0.17 0.00 0.00 175.17 175.25 3gua s ILE 40 N 0.18 4.96 -0.07 4.11 1.01 -1.26 -1.14 121.20 128.99 3gua s ILE 40 Ca -0.01 -0.40 -0.21 0.00 0.00 0.00 0.00 60.65 60.02 3gua s ILE 40 Cb -0.04 -4.19 -0.30 0.00 0.01 0.00 0.00 42.46 37.95 3gua s ILE 40 CO 0.01 -0.64 0.81 0.58 0.00 0.00 0.00 174.94 175.70 3gua h VAL 41 N 5.81 1.44 -3.12 2.92 2.07 -1.35 -3.40 116.25 120.61 3gua h VAL 41 Ca -0.27 -2.49 -0.18 0.00 0.82 0.00 0.00 66.70 64.57 3gua h VAL 41 Cb 1.10 3.11 -0.28 0.00 -1.52 0.00 0.00 31.29 33.70 3gua h VAL 41 CO 0.89 0.70 -0.47 -0.75 0.02 0.00 0.00 177.57 177.96 3gua s LYS 42 N -2.42 0.23 -0.33 1.57 2.20 -1.23 -4.90 119.74 114.86 3gua s LYS 42 Ca -0.15 0.41 0.03 0.00 -0.36 0.00 0.00 55.97 55.89 3gua s LYS 42 Cb 0.01 0.00 0.10 0.00 -1.51 0.00 0.00 37.83 36.44 3gua s LYS 42 CO 0.80 -0.10 0.06 0.00 -0.36 0.00 0.00 175.35 175.76 3gua s ALA 43 N 0.67 2.53 -0.52 3.13 0.00 -1.26 -0.66 121.76 125.65 3gua s ALA 43 Ca -0.05 -2.29 -0.24 0.00 0.00 0.00 0.00 51.96 49.38 3gua s ALA 43 Cb -0.06 -1.87 0.04 0.00 0.00 0.00 0.00 23.12 21.23 3gua s ALA 43 CO -0.04 -1.67 0.90 0.34 0.00 0.00 0.00 175.76 175.29 3gua s ASP 44 N 1.09 6.36 0.07 0.00 -1.08 0.15 -4.89 116.67 118.36 3gua s ASP 44 Ca 0.10 -0.31 0.27 0.00 -0.52 0.00 0.00 52.55 52.09 3gua s ASP 44 Cb -0.19 -2.42 0.86 0.00 -1.46 0.00 0.00 42.92 39.71 3gua s ASP 44 CO -0.12 -1.14 1.70 -1.54 0.52 0.00 0.00 175.17 174.58 3gua n SER 45 N 7.24 0.40 -0.04 -0.34 3.41 -1.26 -1.01 113.62 122.02 3gua n SER 45 Ca 0.02 0.31 0.13 0.00 -0.26 0.00 0.00 58.87 59.06 3gua n SER 45 Cb 0.48 -0.32 0.36 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.77 0.47 0.00 4.04 3.41 -1.26 -4.11 113.62 114.40 3gua n SER 46 Ca 0.06 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3gua n SER 46 Cb 0.37 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.36 0.00 -3.88 6.66 -2.24 -1.20 -5.04 114.28 107.23 3gua n THR 47 Ca 0.07 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.35 3gua n THR 47 Cb 0.33 1.53 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 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 -0.03 -2.14 -4.29 3.42 3.02 -0.18 -4.93 115.26 110.13 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 0.13 -3.04 -0.16 0.00 -0.61 0.00 0.00 39.78 36.11 3gua n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3gua s GLU 49 N -6.45 2.46 -0.02 3.52 2.02 -0.99 -1.59 118.70 117.65 3gua s GLU 49 Ca 0.19 -0.89 0.07 0.00 0.02 0.00 0.00 54.97 54.35 3gua s GLU 49 Cb -0.07 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 3gua s GLU 49 CO 0.89 0.44 -0.21 0.08 0.02 0.00 0.00 175.26 176.47 3gua s VAL 50 N -0.30 1.70 -0.27 2.63 1.01 -0.34 -0.68 120.40 124.16 3gua s VAL 50 Ca 0.01 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 3gua s VAL 50 Cb -0.13 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 3gua s VAL 50 CO 0.02 0.48 0.05 -1.81 0.00 0.00 0.00 175.10 173.85 3gua s ASP 51 N -0.47 4.95 0.06 3.32 1.11 0.17 -1.67 116.67 124.13 3gua s ASP 51 Ca 0.07 -0.52 0.05 0.00 0.18 0.00 0.00 52.55 52.34 3gua s ASP 51 Cb -0.09 -1.86 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 3gua s ASP 51 CO -0.01 -0.12 -0.08 -0.76 1.18 0.00 0.00 175.17 175.39 3gua s LEU 52 N 1.52 3.10 -0.16 1.23 1.43 -0.24 -0.84 118.68 124.72 3gua s LEU 52 Ca 0.04 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3gua s LEU 52 Cb -0.16 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3gua s LEU 52 CO 0.01 0.23 -0.19 -0.69 0.23 0.00 0.00 176.35 175.94 3gua s VAL 53 N -1.11 2.23 0.12 -1.59 1.01 -0.29 -0.68 120.40 120.09 3gua s VAL 53 Ca 0.20 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3gua s VAL 53 Cb -0.11 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3gua s VAL 53 CO 0.11 0.53 0.16 -0.72 0.00 0.00 0.00 175.10 175.19 3gua s TYR 54 N 1.04 0.45 -0.23 5.22 -0.85 -0.73 -0.53 117.35 121.72 3gua s TYR 54 Ca -0.01 -0.86 -0.11 0.00 -0.52 0.00 0.00 57.07 55.57 3gua s TYR 54 Cb -0.14 -0.19 -0.05 0.00 0.38 0.00 0.00 41.96 41.95 3gua s TYR 54 CO -0.06 -0.58 0.16 0.71 -1.52 0.00 0.00 175.55 174.26 3gua s TYR 55 N -3.95 3.35 -0.36 -3.49 4.12 0.74 -1.20 117.35 116.56 3gua s TYR 55 Ca 0.14 0.28 -0.09 0.00 0.02 0.00 0.00 57.07 57.41 3gua s TYR 55 Cb 0.05 -2.25 0.03 0.00 -1.52 0.00 0.00 41.96 38.27 3gua s TYR 55 CO -0.04 0.13 0.17 -2.00 0.02 0.00 0.00 175.55 173.83 3gua s GLU 56 N 0.85 2.81 -0.23 -0.62 2.12 -0.70 -1.31 118.70 121.62 3gua s GLU 56 Ca 0.08 -1.08 -0.12 0.00 0.36 0.00 0.00 54.97 54.21 3gua s GLU 56 Cb -0.13 -3.63 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 3gua s GLU 56 CO 0.03 -0.66 0.24 -1.14 -0.54 0.00 0.00 175.26 173.19 3gua s GLN 57 N 1.51 4.09 -0.02 4.30 0.74 -0.25 -3.24 119.66 126.78 3gua s GLN 57 Ca 0.01 -0.12 0.07 0.00 0.05 0.00 0.00 55.36 55.37 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 0.05 -0.01 -0.22 -0.65 -0.55 0.00 0.00 175.29 173.91 3gua s GLN 58 N 1.25 2.21 -0.03 1.67 -0.21 0.70 -2.04 119.66 123.20 3gua s GLN 58 Ca 0.11 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 54.60 3gua s GLN 58 Cb -0.14 -2.14 0.01 0.00 1.00 0.00 0.00 33.01 31.74 3gua s GLN 58 CO 0.06 0.58 0.07 0.50 -2.12 0.00 0.00 175.29 174.38 3gua s ARG 59 N -0.70 0.07 0.25 2.91 3.00 -0.74 -1.77 118.95 121.96 3gua s ARG 59 Ca 0.11 0.14 -0.17 0.00 -1.00 0.00 0.00 55.73 54.81 3gua s ARG 59 Cb -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 34.95 34.84 3gua s ARG 59 CO -0.00 -0.05 0.59 1.67 0.00 0.00 0.00 175.30 177.51 3gua s TRP 60 N 0.31 0.03 -0.06 5.12 -2.14 -1.08 -0.58 118.94 120.55 3gua s TRP 60 Ca -0.02 -0.43 -0.00 0.00 2.66 0.00 0.00 56.10 58.30 3gua s TRP 60 Cb -0.03 0.45 0.02 0.00 -3.10 0.00 0.00 33.47 30.81 3gua s TRP 60 CO -0.01 -1.08 -0.03 0.21 -2.66 0.00 0.00 176.95 173.38 3gua s LYS 61 N -3.95 0.75 -0.09 3.25 2.20 -1.26 -0.14 119.74 120.50 3gua s LYS 61 Ca 0.15 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 3gua s LYS 61 Cb -0.03 -0.92 -0.01 0.00 -1.51 0.00 0.00 37.83 35.36 3gua s LYS 61 CO 0.06 -0.19 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.15 3gua s LEU 62 N 1.40 2.33 0.35 5.43 1.43 0.47 -4.92 118.68 125.18 3gua s LEU 62 Ca -0.03 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.69 3gua s LEU 62 Cb -0.13 -1.47 0.77 0.00 0.03 0.00 0.00 46.19 45.38 3gua s LEU 62 CO -0.03 0.20 1.91 0.78 0.23 0.00 0.00 176.35 179.44 3gua h ASN 63 N 6.42 0.68 0.06 2.29 2.35 -1.88 -1.96 115.58 123.54 3gua h ASN 63 Ca -0.27 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3gua h ASN 63 Cb 1.21 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.46 3gua h ASN 63 CO 0.50 0.39 0.00 -1.54 -1.65 0.00 0.00 177.43 175.12 3gua n SER 64 N -4.52 0.00 -0.42 5.81 3.41 -1.26 -1.82 113.62 114.82 3gua n SER 64 Ca 0.15 -0.47 0.04 0.00 -0.26 0.00 0.00 58.87 58.33 3gua n SER 64 Cb 0.36 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.33 3gua n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gua n LEU 65 N -1.05 2.21 -4.77 1.04 4.77 -0.74 -4.97 117.00 113.49 3gua n LEU 65 Ca 0.13 -1.49 -0.37 0.00 -0.03 0.00 0.00 56.01 54.25 3gua n LEU 65 Cb 0.08 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3gua n LEU 65 CO 0.11 0.51 0.82 -0.04 -1.33 0.00 0.00 177.39 177.46 3gua s MET 66 N -0.86 3.79 0.16 3.23 -1.94 -0.76 -3.88 119.30 119.04 3gua s MET 66 Ca 0.14 1.75 -0.17 0.00 -1.71 0.00 0.00 55.69 55.70 3gua s MET 66 Cb 0.08 -2.41 0.03 0.00 2.01 0.00 0.00 34.83 34.54 3gua s MET 66 CO 0.12 -0.52 0.47 1.67 -0.01 0.00 0.00 175.02 176.74 3gua s TRP 67 N -1.56 -0.18 -0.40 -0.03 -2.14 -0.25 -4.94 118.94 109.45 3gua s TRP 67 Ca 0.63 -0.14 -0.17 0.00 2.66 0.00 0.00 56.10 59.09 3gua s TRP 67 Cb -0.28 0.33 0.01 0.00 -3.10 0.00 0.00 33.47 30.43 3gua s TRP 67 CO 0.34 -0.81 0.40 0.34 -2.66 0.00 0.00 176.95 174.57 3gua s ASP 68 N -2.83 6.18 0.57 -2.66 2.15 -1.26 -4.66 116.67 114.16 3gua s ASP 68 Ca 0.06 -0.59 0.30 0.00 0.43 0.00 0.00 52.55 52.75 3gua s ASP 68 Cb 0.00 -2.21 1.46 0.00 -0.30 0.00 0.00 42.92 41.87 3gua s ASP 68 CO -0.08 -0.51 1.88 -0.65 -0.17 0.00 0.00 175.17 175.64 3gua h PRO 69 N 8.65 0.00 0.00 4.34 0.11 -1.93 0.18 132.00 143.35 3gua h PRO 69 Ca -0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 3gua h PRO 69 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3gua h PRO 69 CO 0.76 0.00 -0.21 -0.91 -0.21 0.00 0.00 178.00 177.44 3gua h ASN 70 N 0.00 0.00 0.79 -2.05 2.35 -1.92 0.23 115.58 114.98 3gua h ASN 70 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3gua h ASN 70 Cb 1.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.84 3gua h ASN 70 CO -0.00 0.21 -0.31 -0.62 -1.65 0.00 0.00 177.43 175.05 3gua n GLU 71 N -4.28 0.06 -2.55 0.81 1.02 0.62 -4.28 120.64 112.03 3gua n GLU 71 Ca -0.02 0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 3gua n GLU 71 Cb 0.27 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 3gua n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3gua n TYR 72 N -1.64 2.54 -3.91 -0.32 4.01 -0.69 -4.97 117.16 112.18 3gua n TYR 72 Ca 0.06 -3.00 -0.28 0.00 -0.16 0.00 0.00 57.90 54.52 3gua n TYR 72 Cb 0.36 -0.20 0.01 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.31 -0.38 2.69 2.72 0.00 -1.19 -2.01 105.19 106.70 3gua n GLY 73 Ca 0.27 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 3gua n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gua n ASN 74 N -2.89 -5.38 -4.71 1.61 4.13 0.73 -4.95 115.26 103.79 3gua n ASN 74 Ca -0.11 0.29 -0.42 0.00 1.68 0.00 0.00 54.58 56.02 3gua n ASN 74 Cb 0.59 -4.09 -0.03 0.00 -1.54 0.00 0.00 39.78 34.71 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 -1.97 3.12 -0.16 2.41 1.01 -0.85 -4.91 121.20 119.85 3gua s ILE 75 Ca 0.00 0.78 0.09 0.00 0.00 0.00 0.00 60.65 61.52 3gua s ILE 75 Cb 0.00 -3.50 -0.12 0.00 0.01 0.00 0.00 42.46 38.85 3gua s ILE 75 CO 0.00 0.05 0.26 0.35 0.00 0.00 0.00 174.94 175.60 3gua n THR 76 N 4.05 0.00 -3.55 2.92 -2.24 -1.26 -4.37 114.28 109.83 3gua n THR 76 Ca 0.12 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3gua n THR 76 Cb 0.41 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.15 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 -2.57 -0.47 0.04 3.42 -4.77 -1.26 -1.25 116.67 109.82 3gua s ASP 77 Ca -0.01 0.46 -0.02 0.00 -3.30 0.00 0.00 52.55 49.68 3gua s ASP 77 Cb 0.06 0.39 -0.03 0.00 -1.09 0.00 0.00 42.92 42.26 3gua s ASP 77 CO 0.36 -0.46 0.02 0.72 0.70 0.00 0.00 175.17 176.51 3gua s PHE 78 N -1.35 0.36 -0.08 2.11 -0.12 -0.09 -4.98 117.98 113.83 3gua s PHE 78 Ca -0.04 -0.78 -0.12 0.00 -0.05 0.00 0.00 56.93 55.94 3gua s PHE 78 Cb -0.00 -0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.08 3gua s PHE 78 CO 0.03 -0.35 0.30 1.03 -0.05 0.00 0.00 175.22 176.19 3gua s ARG 79 N -3.06 3.88 0.05 1.99 3.00 -1.26 -0.83 118.95 122.72 3gua s ARG 79 Ca -0.01 0.18 -0.06 0.00 0.00 0.00 0.00 55.73 55.84 3gua s ARG 79 Cb 0.02 -3.27 -0.01 0.00 0.00 0.00 0.00 34.95 31.68 3gua s ARG 79 CO -0.07 0.58 0.10 -0.08 0.00 0.00 0.00 175.30 175.84 3gua s THR 80 N -0.62 0.14 0.35 0.02 -1.32 -0.67 -5.00 115.64 108.56 3gua s THR 80 Ca 0.19 -1.17 -0.28 0.00 -1.21 0.00 0.00 61.69 59.22 3gua s THR 80 Cb -0.14 -1.04 -0.11 0.00 -1.51 0.00 0.00 72.50 69.70 3gua s THR 80 CO 0.08 -0.65 1.45 -0.55 -2.21 0.00 0.00 174.62 172.74 3gua s SER 81 N -2.33 6.46 0.59 8.08 0.15 -1.26 -0.90 113.70 124.49 3gua s SER 81 Ca -0.02 2.94 0.36 0.00 0.70 0.00 0.00 55.95 59.93 3gua s SER 81 Cb 0.01 -2.66 1.80 0.00 -1.71 0.00 0.00 66.02 63.46 3gua s SER 81 CO -0.06 -0.79 2.16 0.00 1.20 0.00 0.00 173.24 175.75 3gua h ALA 82 N 3.32 1.09 0.00 5.45 0.00 -1.17 -0.46 119.26 127.50 3gua h ALA 82 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3gua h ALA 82 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gua h ALA 82 CO 0.66 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.96 3gua n ALA 83 N -2.15 2.07 1.01 0.00 0.00 -1.26 -3.07 120.51 117.12 3gua n ALA 83 Ca -0.02 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.47 3gua n ALA 83 Cb 0.19 -1.38 0.42 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.50 0.28 -4.12 0.00 8.00 -0.18 -4.90 116.55 114.13 3gua n ASP 84 Ca 0.06 0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.53 3gua n ASP 84 Cb 0.27 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.99 0.52 0.37 0.53 -4.36 -1.17 -5.06 121.20 109.03 3gua s ILE 85 Ca 0.13 -1.70 -0.28 0.00 -0.26 0.00 0.00 60.65 58.54 3gua s ILE 85 Cb 0.18 -1.38 -0.10 0.00 1.25 0.00 0.00 42.46 42.41 3gua s ILE 85 CO 0.62 -0.80 1.40 0.86 0.24 0.00 0.00 174.94 177.26 3gua s TRP 86 N -3.19 2.77 0.06 1.37 -0.00 -1.26 -4.95 118.94 113.75 3gua s TRP 86 Ca 0.05 1.29 0.03 0.00 -0.00 0.00 0.00 56.10 57.47 3gua s TRP 86 Cb 0.02 -3.86 -0.03 0.00 -0.00 0.00 0.00 33.47 29.61 3gua s TRP 86 CO -0.05 -2.48 -0.08 0.95 -0.00 0.00 0.00 176.95 175.29 3gua s THR 87 N -1.15 0.67 0.54 5.86 -4.23 -1.26 -5.10 115.64 110.97 3gua s THR 87 Ca 0.52 -1.31 -0.18 0.00 -1.18 0.00 0.00 61.69 59.54 3gua s THR 87 Cb -0.43 -0.93 -0.06 0.00 1.34 0.00 0.00 72.50 72.42 3gua s THR 87 CO 0.58 -0.47 1.04 -2.16 -0.54 0.00 0.00 174.62 173.06 3gua s PRO 88 N -2.13 3.60 -0.57 3.99 0.04 -1.26 -4.93 135.00 133.75 3gua s PRO 88 Ca -0.04 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.19 3gua s PRO 88 Cb -0.07 -2.07 0.15 0.00 0.04 0.00 0.00 34.50 32.55 3gua s PRO 88 CO -0.00 -0.58 2.56 -0.40 0.04 0.00 0.00 177.00 178.61 3gua n ASP 89 N -1.56 6.78 -4.65 6.66 5.75 -1.26 -4.97 116.55 123.30 3gua n ASP 89 Ca 0.09 -3.39 -0.43 0.00 -0.01 0.00 0.00 54.79 51.05 3gua n ASP 89 Cb 0.53 -1.18 -0.02 0.00 -1.03 0.00 0.00 41.12 39.41 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 -3.06 3.94 0.11 2.12 -1.09 -1.26 -2.52 121.20 119.44 3gua s ILE 90 Ca 0.57 1.11 0.08 0.00 -2.23 0.00 0.00 60.65 60.18 3gua s ILE 90 Cb 0.40 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 3gua s ILE 90 CO -0.28 -0.22 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.12 3gua s THR 91 N 4.22 1.68 0.08 2.92 2.01 0.30 -4.88 115.64 121.97 3gua s THR 91 Ca 0.64 -1.57 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 3gua s THR 91 Cb -0.24 -1.56 -0.06 0.00 0.01 0.00 0.00 72.50 70.65 3gua s THR 91 CO 0.23 -0.11 1.14 0.00 -0.69 0.00 0.00 174.62 175.20 3gua s ALA 92 N -1.29 3.35 -0.34 7.40 0.00 -1.26 -1.31 121.76 128.31 3gua s ALA 92 Ca 0.07 0.80 0.23 0.00 0.00 0.00 0.00 51.96 53.05 3gua s ALA 92 Cb -0.09 -3.41 0.39 0.00 0.00 0.00 0.00 23.12 20.00 3gua s ALA 92 CO 0.04 -0.36 1.62 1.88 0.00 0.00 0.00 175.76 178.95 3gua h TYR 93 N 6.43 0.00 -0.76 0.00 0.05 -0.82 -3.35 116.97 118.52 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 0.08 -0.92 -1.13 -1.05 0.00 0.00 178.16 175.80 3gua n SER 94 N -3.13 3.70 -4.82 3.88 3.41 -1.26 -5.02 113.62 110.38 3gua n SER 94 Ca 0.03 -3.18 -0.32 0.00 -0.26 0.00 0.00 58.87 55.15 3gua n SER 94 Cb 0.54 -0.41 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 3gua n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gua s SER 95 N -3.62 5.70 0.00 4.04 1.04 -1.26 -1.64 113.70 117.96 3gua s SER 95 Ca 0.42 1.67 0.03 0.00 0.48 0.00 0.00 55.95 58.55 3gua s SER 95 Cb 0.39 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.98 3gua s SER 95 CO -0.01 -1.23 0.23 0.35 0.98 0.00 0.00 173.24 173.56 3gua n THR 96 N -2.58 0.00 -3.98 2.02 -2.24 0.99 -4.80 114.28 103.69 3gua n THR 96 Ca 0.08 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 3gua n THR 96 Cb 0.53 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 3gua n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gua s ARG 97 N -1.09 0.45 0.28 -0.78 1.81 -1.24 -5.04 118.95 113.34 3gua s ARG 97 Ca 0.02 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 52.98 3gua s ARG 97 Cb 0.02 0.17 -0.12 0.00 -0.45 0.00 0.00 34.95 34.57 3gua s ARG 97 CO 0.11 -0.09 1.53 -2.30 -0.68 0.00 0.00 175.30 173.87 3gua n PRO 98 N 1.10 2.50 -1.66 3.54 -0.02 -1.26 -4.62 135.00 134.57 3gua n PRO 98 Ca -0.21 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 3gua n PRO 98 Cb 0.57 -2.63 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3gua n PRO 98 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gua n VAL 99 N 2.02 2.73 -4.31 -1.45 0.31 -1.26 -4.89 118.33 111.47 3gua n VAL 99 Ca 0.09 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.58 3gua n VAL 99 Cb 0.35 -1.36 -0.12 0.00 -0.91 0.00 0.00 33.84 31.80 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 -2.24 3.62 -0.15 5.55 -0.21 -0.64 -4.99 119.66 120.60 3gua s GLN 100 Ca 0.64 -0.54 -0.22 0.00 0.02 0.00 0.00 55.36 55.27 3gua s GLN 100 Cb -0.51 -2.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.53 3gua s GLN 100 CO 0.56 0.15 0.66 0.08 -2.12 0.00 0.00 175.29 174.62 3gua s VAL 101 N 0.59 5.02 -0.22 1.09 1.01 -1.26 -1.01 120.40 125.62 3gua s VAL 101 Ca -0.03 1.29 0.21 0.00 0.00 0.00 0.00 61.98 63.46 3gua s VAL 101 Cb -0.14 -3.98 -0.31 0.00 0.00 0.00 0.00 36.38 31.94 3gua s VAL 101 CO 0.02 0.15 0.55 0.18 0.00 0.00 0.00 175.10 176.01 3gua n LEU 102 N 4.64 0.20 -4.66 3.92 4.77 0.16 -4.98 117.00 121.05 3gua n LEU 102 Ca -0.01 -0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.61 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 0.45 0.05 -0.25 -0.94 -1.33 0.00 0.00 177.39 175.37 3gua s SER 103 N -4.13 4.20 0.76 -1.43 1.04 -1.24 -4.94 113.70 107.95 3gua s SER 103 Ca -0.05 -1.09 -0.15 0.00 0.48 0.00 0.00 55.95 55.14 3gua s SER 103 Cb 0.14 -0.49 0.05 0.00 0.10 0.00 0.00 66.02 65.83 3gua s SER 103 CO 0.88 -0.37 1.24 -2.65 0.98 0.00 0.00 173.24 173.31 3gua n PRO 104 N -1.05 0.47 -3.02 4.02 -0.02 -1.26 -4.85 135.00 129.29 3gua n PRO 104 Ca -0.03 0.23 -0.44 0.00 -2.02 0.00 0.00 63.50 61.24 3gua n PRO 104 Cb 0.64 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 -2.87 3.64 -4.43 -0.52 1.13 -1.26 -4.82 117.38 108.25 3gua n GLN 105 Ca 0.14 -4.15 -0.22 0.00 -1.94 0.00 0.00 57.00 50.84 3gua n GLN 105 Cb 0.50 -2.76 -0.16 0.00 0.11 0.00 0.00 30.24 27.93 3gua n GLN 105 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3gua s ILE 106 N -0.33 0.86 0.25 5.09 1.01 -1.26 -0.59 121.20 126.23 3gua s ILE 106 Ca 0.36 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.73 3gua s ILE 106 Cb -0.03 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 3gua s ILE 106 CO -0.01 0.28 0.09 0.00 0.00 0.00 0.00 174.94 175.29 3gua s ALA 107 N 0.42 3.36 -0.18 9.38 0.00 -0.08 -4.59 121.76 130.07 3gua s ALA 107 Ca -0.08 -1.52 -0.00 0.00 0.00 0.00 0.00 51.96 50.36 3gua s ALA 107 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.98 3gua s ALA 107 CO 0.01 0.29 -0.14 0.08 0.00 0.00 0.00 175.76 175.99 3gua s VAL 108 N -2.18 2.61 -0.12 0.00 1.01 0.06 -1.66 120.40 120.12 3gua s VAL 108 Ca 0.32 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3gua s VAL 108 Cb -0.07 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3gua s VAL 108 CO 0.22 0.50 -0.00 -0.69 0.00 0.00 0.00 175.10 175.13 3gua s VAL 109 N 1.15 4.26 0.18 2.92 1.01 -0.01 -0.63 120.40 129.28 3gua s VAL 109 Ca 0.01 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.84 3gua s VAL 109 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3gua s VAL 109 CO -0.06 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.59 3gua s THR 110 N -0.31 3.09 0.59 3.92 2.01 -0.31 -0.91 115.64 123.71 3gua s THR 110 Ca 0.06 -1.68 0.28 0.00 0.31 0.00 0.00 61.69 60.67 3gua s THR 110 Cb -0.12 -2.52 0.36 0.00 0.01 0.00 0.00 72.50 70.22 3gua s THR 110 CO 0.02 -0.10 2.13 1.12 -0.69 0.00 0.00 174.62 177.10 3gua h HIS 111 N 2.99 0.00 0.00 4.92 2.07 -1.47 0.28 115.15 123.94 3gua h HIS 111 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3gua h HIS 111 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 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 -3.85 0.00 0.00 3.10 5.75 -1.26 -1.09 116.55 119.19 3gua n ASP 112 Ca 0.01 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.25 3gua n ASP 112 Cb 0.28 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.51 0.76 3.77 6.12 0.00 0.99 -4.64 105.19 112.71 3gua n GLY 113 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3gua n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gua s SER 114 N -2.45 7.22 -0.03 1.61 1.04 -1.20 -0.39 113.70 119.50 3gua s SER 114 Ca 0.00 1.45 0.02 0.00 0.48 0.00 0.00 55.95 57.90 3gua s SER 114 Cb 0.00 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 3gua s SER 114 CO 0.00 0.13 -0.08 -0.69 0.98 0.00 0.00 173.24 173.59 3gua s VAL 115 N -0.61 3.59 -0.10 5.02 1.01 0.80 -1.16 120.40 128.95 3gua s VAL 115 Ca 0.35 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3gua s VAL 115 Cb -0.21 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.69 3gua s VAL 115 CO 0.23 0.50 -0.11 -0.32 0.00 0.00 0.00 175.10 175.40 3gua s MET 116 N -1.10 1.77 -0.10 2.72 1.75 0.20 -2.62 119.30 121.92 3gua s MET 116 Ca 0.14 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.19 3gua s MET 116 Cb -0.11 -1.63 0.03 0.00 2.84 0.00 0.00 34.83 35.96 3gua s MET 116 CO 0.04 -0.14 -0.04 0.12 -0.65 0.00 0.00 175.02 174.35 3gua s PHE 117 N 1.24 1.14 -0.53 4.11 5.36 -0.73 -0.76 117.98 127.81 3gua s PHE 117 Ca -0.03 -0.51 0.06 0.00 -0.96 0.00 0.00 56.93 55.49 3gua s PHE 117 Cb -0.14 -1.05 0.21 0.00 -0.34 0.00 0.00 43.02 41.70 3gua s PHE 117 CO -0.04 -0.44 0.51 -0.89 -1.46 0.00 0.00 175.22 172.91 3gua n ILE 118 N 5.03 0.37 -2.60 3.12 5.41 -1.26 -0.22 119.36 129.21 3gua n ILE 118 Ca -0.10 -4.31 -0.40 0.00 1.00 0.00 0.00 62.75 58.95 3gua n ILE 118 Cb 0.50 -1.96 -0.05 0.00 -0.71 0.00 0.00 39.64 37.42 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 -1.17 4.66 0.06 0.38 0.04 -1.20 -4.77 135.00 133.00 3gua s PRO 119 Ca 0.33 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 3gua s PRO 119 Cb 0.08 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.43 3gua s PRO 119 CO -0.13 0.29 0.73 0.00 0.04 0.00 0.00 177.00 177.93 3gua s ALA 120 N -1.25 3.41 0.04 8.56 0.00 -1.26 -1.72 121.76 129.54 3gua s ALA 120 Ca 0.45 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.66 3gua s ALA 120 Cb -0.28 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3gua s ALA 120 CO 0.35 0.13 -0.06 -0.65 0.00 0.00 0.00 175.76 175.54 3gua s GLN 121 N -0.29 0.47 -0.20 0.00 -0.21 -0.34 0.37 119.66 119.46 3gua s GLN 121 Ca 0.36 -0.75 -0.05 0.00 0.02 0.00 0.00 55.36 54.94 3gua s GLN 121 Cb -0.20 -0.13 -0.03 0.00 1.00 0.00 0.00 33.01 33.65 3gua s GLN 121 CO 0.22 0.01 0.01 0.50 -2.12 0.00 0.00 175.29 173.91 3gua s ARG 122 N -1.73 3.64 -0.10 2.91 3.52 -0.18 -1.77 118.95 125.25 3gua s ARG 122 Ca -0.10 -0.51 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 3gua s ARG 122 Cb -0.09 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3gua s ARG 122 CO -0.01 0.03 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.12 3gua s LEU 123 N 0.96 2.02 -0.24 -0.88 2.96 0.15 -1.63 118.68 122.02 3gua s LEU 123 Ca 0.02 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 3gua s LEU 123 Cb -0.14 -1.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 3gua s LEU 123 CO 0.02 0.14 0.15 -0.44 -1.32 0.00 0.00 176.35 174.89 3gua s SER 124 N 0.42 5.99 0.15 3.68 0.01 -1.26 -1.08 113.70 121.61 3gua s SER 124 Ca -0.18 0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.15 3gua s SER 124 Cb -0.18 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 3gua s SER 124 CO 0.08 0.05 0.04 0.72 0.41 0.00 0.00 173.24 174.53 3gua s PHE 125 N 1.13 0.99 -0.09 2.43 -0.12 -0.67 -0.01 117.98 121.65 3gua s PHE 125 Ca 0.07 -1.16 -0.30 0.00 -0.05 0.00 0.00 56.93 55.50 3gua s PHE 125 Cb -0.14 -0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 41.65 3gua s PHE 125 CO 0.05 -0.41 1.53 -1.64 -0.05 0.00 0.00 175.22 174.70 3gua s MET 126 N -4.00 4.20 -0.29 1.99 -1.94 -0.65 -1.20 119.30 117.40 3gua s MET 126 Ca 0.24 2.03 -0.13 0.00 -1.71 0.00 0.00 55.69 56.11 3gua s MET 126 Cb 0.07 -3.91 0.13 0.00 2.01 0.00 0.00 34.83 33.13 3gua s MET 126 CO 0.03 -0.80 0.78 0.00 -0.01 0.00 0.00 175.02 175.02 3gua s ASP 128 N 2.26 6.47 -0.07 0.00 2.15 -1.26 -3.32 116.67 122.89 3gua s ASP 128 Ca -0.07 0.15 0.05 0.00 0.43 0.00 0.00 52.55 53.11 3gua s ASP 128 Cb -0.08 -2.37 0.26 0.00 -0.30 0.00 0.00 42.92 40.43 3gua s ASP 128 CO -0.18 -0.73 0.92 -0.81 -0.17 0.00 0.00 175.17 174.19 3gua n PRO 129 N 6.36 2.20 -1.70 4.34 -0.04 -1.26 -4.70 135.00 140.19 3gua n PRO 129 Ca 0.01 -1.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.05 3gua n PRO 129 Cb 0.48 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.20 0.05 -0.50 0.52 -1.04 -1.26 -1.84 114.28 110.41 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 0.53 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 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 3.88 0.75 0.25 3.41 0.00 -1.26 -4.42 105.19 107.79 3gua n GLY 131 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3gua n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gua h VAL 132 N 0.00 0.57 -0.00 1.61 3.04 -1.56 -1.37 116.25 118.54 3gua h VAL 132 Ca 0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 3gua h VAL 132 Cb 0.00 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3gua h VAL 132 CO 0.00 0.15 0.00 -0.90 -1.01 0.00 0.00 177.57 175.81 3gua n ASP 133 N -3.57 0.14 -4.02 3.17 5.75 -1.26 -0.84 116.55 115.92 3gua n ASP 133 Ca -0.01 -1.10 -0.19 0.00 -0.01 0.00 0.00 54.79 53.48 3gua n ASP 133 Cb 0.30 -0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 -0.86 2.34 0.05 -1.12 3.41 -0.53 -4.96 113.62 111.95 3gua n SER 134 Ca 0.22 -2.39 -0.20 0.00 -0.26 0.00 0.00 58.87 56.24 3gua n SER 134 Cb 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.59 0.00 4.33 4.81 -1.89 -3.24 114.58 119.19 3gua h GLU 135 Ca -0.26 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 58.28 3gua h GLU 135 Cb 0.91 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3gua h GLU 135 CO 0.40 1.29 0.00 1.05 -0.73 0.00 0.00 179.01 181.02 3gua h GLU 136 N 0.20 0.00 0.00 1.92 9.09 -1.97 -3.49 114.58 120.33 3gua h GLU 136 Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.28 3gua h GLU 136 Cb 1.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.76 3gua h GLU 136 CO 0.19 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.66 3gua n GLY 137 N 0.76 -1.43 3.60 1.06 0.00 -1.16 -4.84 105.19 103.18 3gua n GLY 137 Ca 0.04 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.34 3.04 -0.07 4.61 0.00 0.52 -4.33 121.76 124.19 3gua s ALA 138 Ca 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.51 3gua s ALA 138 Cb 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 3gua s ALA 138 CO 0.00 0.42 -0.21 0.99 0.00 0.00 0.00 175.76 176.96 3gua s THR 139 N -1.86 1.76 0.08 0.00 2.01 -1.26 -1.07 115.64 115.30 3gua s THR 139 Ca 0.27 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3gua s THR 139 Cb -0.08 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 3gua s THR 139 CO 0.17 0.50 -0.09 0.00 -0.69 0.00 0.00 174.62 174.51 3gua s ALA 141 N -2.45 0.24 -0.05 0.00 0.00 -1.26 -0.46 121.76 117.78 3gua s ALA 141 Ca 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 3gua s ALA 141 Cb -0.03 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3gua s ALA 141 CO -0.01 -0.07 0.13 0.54 0.00 0.00 0.00 175.76 176.34 3gua s VAL 142 N -1.07 -0.02 -0.07 0.00 0.11 -0.26 -4.93 120.40 114.16 3gua s VAL 142 Ca -0.10 0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.90 3gua s VAL 142 Cb -0.08 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 3gua s VAL 142 CO -0.00 0.02 0.27 -0.54 -3.33 0.00 0.00 175.10 171.52 3gua s LYS 143 N 0.42 3.69 -0.07 1.54 1.02 -1.26 -0.68 119.74 124.40 3gua s LYS 143 Ca -0.03 0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.12 3gua s LYS 143 Cb -0.04 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3gua s LYS 143 CO -0.02 0.72 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.90 3gua s PHE 144 N -1.00 2.65 0.11 3.18 0.08 0.12 -0.02 117.98 123.10 3gua s PHE 144 Ca 0.19 -0.44 -0.25 0.00 0.12 0.00 0.00 56.93 56.54 3gua s PHE 144 Cb -0.14 -1.68 0.09 0.00 -0.57 0.00 0.00 43.02 40.72 3gua s PHE 144 CO 0.08 -0.03 1.11 0.20 -0.10 0.00 0.00 175.22 176.48 3gua s GLY 145 N -0.29 -0.09 0.59 4.36 0.00 -0.43 0.10 107.32 111.56 3gua s GLY 145 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 44.72 44.54 3gua s GLY 145 CO 0.03 2.11 1.26 -0.45 0.00 0.00 0.00 173.10 176.04 3gua s SER 146 N -3.31 5.08 -0.00 1.64 0.15 -1.26 -0.54 113.70 115.46 3gua s SER 146 Ca 0.20 2.52 -0.04 0.00 0.70 0.00 0.00 55.95 59.33 3gua s SER 146 Cb -0.01 -2.61 -0.28 0.00 -1.71 0.00 0.00 66.02 61.41 3gua s SER 146 CO 0.02 -1.67 0.83 -0.25 1.20 0.00 0.00 173.24 173.37 3gua h TRP 147 N 0.96 0.49 0.00 3.44 2.91 -1.86 -3.42 115.95 118.47 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 1.31 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 3gua h TRP 147 CO 0.45 1.42 0.00 1.33 -1.03 0.00 0.00 178.44 180.61 3gua n VAL 148 N -3.47 0.00 -3.97 2.65 0.24 -1.26 -5.04 118.33 107.48 3gua n VAL 148 Ca -0.18 -0.37 -0.35 0.00 -2.04 0.00 0.00 64.34 61.41 3gua n VAL 148 Cb 1.05 1.09 -0.09 0.00 -1.47 0.00 0.00 33.84 34.42 3gua n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3gua s TYR 149 N -0.50 3.32 0.95 6.34 2.02 -1.26 -5.11 117.35 123.11 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 -2.05 0.21 0.00 -0.40 0.00 0.00 41.96 39.72 3gua s TYR 149 CO 0.00 0.28 1.30 -1.54 -1.57 0.00 0.00 175.55 174.02 3gua s SER 150 N 0.08 3.09 0.50 2.29 1.04 -1.26 -4.68 113.70 114.76 3gua s SER 150 Ca 0.06 0.07 0.25 0.00 0.48 0.00 0.00 55.95 56.81 3gua s SER 150 Cb -0.12 -0.08 1.34 0.00 0.10 0.00 0.00 66.02 67.26 3gua s SER 150 CO 0.00 -2.73 2.05 1.23 0.98 0.00 0.00 173.24 174.77 3gua h GLY 151 N -1.56 0.00 2.00 7.32 0.00 -1.03 -0.45 103.07 109.35 3gua h GLY 151 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3gua h GLY 151 CO 0.34 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.62 3gua h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.94 -3.35 116.94 117.30 3gua h PHE 152 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 3gua h PHE 152 Cb 0.35 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 3gua h PHE 152 CO 0.00 0.00 -1.35 0.39 -0.60 0.00 0.00 178.31 176.75 3gua n GLU 153 N -2.91 0.32 -4.18 1.51 4.71 -0.70 -4.29 120.64 115.09 3gua n GLU 153 Ca 0.00 0.13 -0.33 0.00 -0.01 0.00 0.00 57.16 56.95 3gua n GLU 153 Cb 0.26 -1.04 -0.16 0.00 -1.01 0.00 0.00 31.44 29.49 3gua n GLU 153 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3gua s ILE 154 N -2.38 2.42 -0.08 -3.67 1.01 -0.26 -0.72 121.20 117.52 3gua s ILE 154 Ca -0.20 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.58 3gua s ILE 154 Cb 0.06 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3gua s ILE 154 CO 0.26 0.51 0.11 -0.62 0.00 0.00 0.00 174.94 175.21 3gua s ASP 155 N 1.22 6.09 0.10 3.58 2.15 0.30 -3.84 116.67 126.28 3gua s ASP 155 Ca 0.03 0.35 0.03 0.00 0.43 0.00 0.00 52.55 53.39 3gua s ASP 155 Cb -0.14 -1.90 -0.04 0.00 -0.30 0.00 0.00 42.92 40.55 3gua s ASP 155 CO -0.08 0.36 0.12 -0.76 -0.17 0.00 0.00 175.17 174.64 3gua s LEU 156 N -1.24 3.91 0.10 -1.34 1.43 -1.26 -0.29 118.68 119.98 3gua s LEU 156 Ca 0.18 0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 3gua s LEU 156 Cb -0.12 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.58 3gua s LEU 156 CO 0.07 0.14 0.40 -1.59 0.23 0.00 0.00 176.35 175.60 3gua s LYS 157 N -2.63 1.02 0.21 1.70 -2.85 -0.50 -4.91 119.74 111.77 3gua s LYS 157 Ca 0.31 -0.60 0.10 0.00 -1.00 0.00 0.00 55.97 54.78 3gua s LYS 157 Cb -0.12 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 3gua s LYS 157 CO 0.23 -0.38 -0.16 0.95 0.10 0.00 0.00 175.35 176.09 3gua s THR 158 N -3.37 2.77 -0.18 3.79 -4.23 -1.26 -0.67 115.64 112.48 3gua s THR 158 Ca 0.00 -1.94 0.16 0.00 -1.18 0.00 0.00 61.69 58.73 3gua s THR 158 Cb 0.01 -2.38 0.06 0.00 1.34 0.00 0.00 72.50 71.54 3gua s THR 158 CO -0.09 -0.18 1.37 0.44 -0.54 0.00 0.00 174.62 175.62 3gua h ASP 159 N 2.84 0.00 -5.02 3.99 3.32 -1.97 -3.48 116.42 116.10 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 1.22 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.64 3gua h ASP 159 CO 0.53 0.44 0.14 0.28 -1.72 0.00 0.00 179.24 178.92 3gua s THR 160 N -2.99 0.02 -0.72 0.35 -1.32 -1.26 -5.04 115.64 104.68 3gua s THR 160 Ca 0.03 -0.13 0.26 0.00 -1.21 0.00 0.00 61.69 60.64 3gua s THR 160 Cb 0.07 -1.03 0.27 0.00 -1.51 0.00 0.00 72.50 70.30 3gua s THR 160 CO 0.75 -0.07 1.74 0.47 -2.21 0.00 0.00 174.62 175.29 3gua n ASP 161 N -0.26 0.84 -4.58 8.08 8.00 -1.26 -4.74 116.55 122.63 3gua n ASP 161 Ca -0.17 0.55 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 3gua n ASP 161 Cb 0.64 -0.74 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 3gua n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3gua s GLN 162 N -3.11 3.75 0.21 -1.24 -1.52 -1.26 -0.63 119.66 115.86 3gua s GLN 162 Ca 0.10 0.26 -0.31 0.00 -1.95 0.00 0.00 55.36 53.46 3gua s GLN 162 Cb 0.12 -3.80 -0.11 0.00 -0.22 0.00 0.00 33.01 29.01 3gua s GLN 162 CO 0.61 -0.79 1.58 0.08 -0.25 0.00 0.00 175.29 176.51 3gua s VAL 163 N 2.96 2.41 -0.44 1.09 1.01 -0.79 -4.87 120.40 121.76 3gua s VAL 163 Ca 0.29 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.31 3gua s VAL 163 Cb -0.14 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3gua s VAL 163 CO 0.16 0.03 1.78 -0.62 0.00 0.00 0.00 175.10 176.45 3gua s ASP 164 N 0.88 5.71 0.00 3.32 2.15 0.00 -4.87 116.67 123.86 3gua s ASP 164 Ca 0.68 0.89 0.23 0.00 0.43 0.00 0.00 52.55 54.78 3gua s ASP 164 Cb -0.45 -2.53 0.58 0.00 -0.30 0.00 0.00 42.92 40.22 3gua s ASP 164 CO 0.37 -1.93 1.49 0.18 -0.17 0.00 0.00 175.17 175.11 3gua n LEU 165 N 11.05 3.81 0.04 -1.34 4.77 -1.26 -2.18 117.00 131.88 3gua n LEU 165 Ca 0.21 -1.85 0.10 0.00 -0.03 0.00 0.00 56.01 54.45 3gua n LEU 165 Cb 0.49 -0.42 0.43 0.00 -2.33 0.00 0.00 43.42 41.60 3gua n LEU 165 CO 0.70 0.92 0.83 -1.54 -1.33 0.00 0.00 177.39 176.96 3gua n SER 166 N 1.60 0.23 -0.49 -1.43 3.41 -1.26 -2.17 113.62 113.51 3gua n SER 166 Ca 0.23 0.54 0.04 0.00 -0.26 0.00 0.00 58.87 59.43 3gua n SER 166 Cb 0.62 -0.60 0.11 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.74 2.63 -4.72 4.04 7.64 -1.26 -5.02 113.62 115.19 3gua n SER 167 Ca 0.04 -1.94 -0.42 0.00 1.01 0.00 0.00 58.87 57.56 3gua n SER 167 Cb 0.25 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 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 -0.97 2.99 -0.27 1.43 5.04 -0.92 -4.62 117.35 120.02 3gua s TYR 168 Ca 0.17 0.52 -0.34 0.00 -2.44 0.00 0.00 57.07 54.98 3gua s TYR 168 Cb 0.09 -4.02 -0.11 0.00 0.35 0.00 0.00 41.96 38.28 3gua s TYR 168 CO 0.12 -3.79 2.10 0.98 -1.34 0.00 0.00 175.55 173.63 3gua n TYR 169 N 3.88 1.84 -0.28 4.97 9.36 0.16 -4.84 117.16 132.26 3gua n TYR 169 Ca 0.14 0.17 0.16 0.00 3.32 0.00 0.00 57.90 61.69 3gua n TYR 169 Cb 0.37 -2.59 0.43 0.00 -0.63 0.00 0.00 39.34 36.92 3gua n TYR 169 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3gua h ALA 170 N 11.87 1.98 -0.54 2.98 0.00 -1.89 -2.51 119.26 131.14 3gua h ALA 170 Ca -0.35 0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.29 3gua h ALA 170 Cb 1.30 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 3gua h ALA 170 CO 0.99 -0.27 0.05 0.43 0.00 0.00 0.00 179.25 180.44 3gua n SER 171 N -4.59 3.23 -4.73 0.00 7.64 -1.26 -5.03 113.62 108.90 3gua n SER 171 Ca 0.20 -3.77 -0.32 0.00 1.01 0.00 0.00 58.87 55.99 3gua n SER 171 Cb 0.61 -0.67 0.11 0.00 -1.01 0.00 0.00 64.21 63.25 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 -2.38 4.01 0.54 6.43 0.15 -0.95 -4.91 113.70 116.59 3gua s SER 172 Ca 0.49 2.12 0.31 0.00 0.70 0.00 0.00 55.95 59.56 3gua s SER 172 Cb 0.43 -2.56 1.52 0.00 -1.71 0.00 0.00 66.02 63.70 3gua s SER 172 CO 0.02 -2.38 2.08 0.11 1.20 0.00 0.00 173.24 174.26 3gua h LYS 173 N -0.95 0.00 -5.52 5.44 1.79 -1.91 -3.43 116.57 111.99 3gua h LYS 173 Ca -0.45 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.46 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 0.48 0.09 -0.84 0.71 -1.08 0.00 0.00 179.45 178.82 3gua s TYR 174 N -4.04 1.65 0.07 -1.35 2.02 -1.26 -1.65 117.35 112.78 3gua s TYR 174 Ca -0.02 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 3gua s TYR 174 Cb 0.12 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 3gua s TYR 174 CO 0.56 -0.09 0.12 -1.83 -1.57 0.00 0.00 175.55 172.74 3gua s GLU 175 N -0.21 3.07 -0.18 -0.62 -1.05 -0.31 -4.76 118.70 114.64 3gua s GLU 175 Ca 0.02 -0.59 -0.21 0.00 -0.15 0.00 0.00 54.97 54.04 3gua s GLU 175 Cb -0.09 -2.84 -0.03 0.00 -0.44 0.00 0.00 34.13 30.74 3gua s GLU 175 CO 0.01 0.59 0.63 0.42 0.95 0.00 0.00 175.26 177.85 3gua s ILE 176 N -1.41 5.03 -0.07 1.83 -1.09 -1.26 -2.35 121.20 121.88 3gua s ILE 176 Ca 0.30 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 0.23 0.14 0.56 -0.07 -1.23 0.00 0.00 174.94 174.56 3gua h LEU 177 N 7.97 0.36 -7.00 2.97 3.38 -0.28 -3.49 115.31 119.23 3gua h LEU 177 Ca -0.33 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 56.95 3gua h LEU 177 Cb 1.15 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.61 3gua h LEU 177 CO 0.77 1.61 0.31 -0.94 0.09 0.00 0.00 178.44 180.28 3gua s SER 178 N -6.89 -0.54 -0.14 -0.43 1.04 -1.09 -4.98 113.70 100.67 3gua s SER 178 Ca -0.16 0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.58 3gua s SER 178 Cb 0.07 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.75 3gua s SER 178 CO 0.81 -0.66 0.27 0.00 0.98 0.00 0.00 173.24 174.63 3gua s ALA 179 N -2.19 -0.58 0.22 5.32 0.00 -1.26 -0.44 121.76 122.83 3gua s ALA 179 Ca -0.03 0.90 0.11 0.00 0.00 0.00 0.00 51.96 52.93 3gua s ALA 179 Cb -0.01 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 3gua s ALA 179 CO -0.01 -0.72 -0.20 0.95 0.00 0.00 0.00 175.76 175.78 3gua s THR 180 N 2.43 2.22 -0.15 0.00 -4.23 -0.14 -1.89 115.64 113.87 3gua s THR 180 Ca 0.02 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 58.35 3gua s THR 180 Cb -0.12 -2.12 0.04 0.00 1.34 0.00 0.00 72.50 71.64 3gua s THR 180 CO -0.09 -0.31 -0.02 0.00 -0.54 0.00 0.00 174.62 173.66 3gua s GLN 181 N -3.10 1.02 -0.06 3.99 -2.07 0.20 -1.01 119.66 118.61 3gua s GLN 181 Ca 0.23 -0.33 0.04 0.00 -1.82 0.00 0.00 55.36 53.48 3gua s GLN 181 Cb -0.06 -1.77 0.00 0.00 -1.09 0.00 0.00 33.01 30.10 3gua s GLN 181 CO 0.11 -0.45 -0.17 0.99 -1.32 0.00 0.00 175.29 174.44 3gua s THR 182 N 1.78 1.48 0.21 3.63 2.01 -0.54 -4.29 115.64 119.92 3gua s THR 182 Ca 0.01 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 3gua s THR 182 Cb -0.15 -1.29 -0.08 0.00 0.01 0.00 0.00 72.50 70.99 3gua s THR 182 CO -0.07 0.43 1.03 -0.60 -0.69 0.00 0.00 174.62 174.71 3gua s ARG 183 N 0.23 4.70 -0.02 4.92 3.52 -1.26 -0.12 118.95 130.93 3gua s ARG 183 Ca -0.09 1.62 0.04 0.00 -0.13 0.00 0.00 55.73 57.17 3gua s ARG 183 Cb -0.14 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 3gua s ARG 183 CO 0.04 0.27 -0.13 -0.65 -0.81 0.00 0.00 175.30 174.02 3gua s GLN 184 N -0.82 1.12 -0.29 5.12 -0.21 0.74 -4.93 119.66 120.39 3gua s GLN 184 Ca 0.45 -0.45 -0.04 0.00 0.02 0.00 0.00 55.36 55.34 3gua s GLN 184 Cb -0.28 -1.05 0.03 0.00 1.00 0.00 0.00 33.01 32.70 3gua s GLN 184 CO 0.35 0.24 0.02 0.08 -2.12 0.00 0.00 175.29 173.86 3gua s VAL 185 N -0.16 3.41 -0.09 1.09 1.01 -1.26 -0.86 120.40 123.53 3gua s VAL 185 Ca 0.02 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 3gua s VAL 185 Cb -0.06 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3gua s VAL 185 CO -0.00 0.04 0.34 -1.10 0.00 0.00 0.00 175.10 174.38 3gua s GLN 186 N 1.38 4.06 0.01 2.72 -1.52 0.22 -4.93 119.66 121.61 3gua s GLN 186 Ca -0.00 0.23 0.04 0.00 -1.95 0.00 0.00 55.36 53.68 3gua s GLN 186 Cb -0.18 -3.33 -0.03 0.00 -0.22 0.00 0.00 33.01 29.25 3gua s GLN 186 CO -0.00 0.44 -0.10 -1.01 -0.25 0.00 0.00 175.29 174.37 3gua s HIS 187 N -0.21 2.80 -0.08 0.91 3.76 -1.26 -1.53 115.29 119.68 3gua s HIS 187 Ca 0.20 -0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 3gua s HIS 187 Cb -0.14 -1.57 -0.00 0.00 1.11 0.00 0.00 32.58 31.97 3gua s HIS 187 CO 0.08 0.34 -0.22 0.71 -0.85 0.00 0.00 174.74 174.80 3gua s TYR 188 N -0.97 2.34 -1.53 1.40 2.02 -1.26 -5.02 117.35 114.33 3gua s TYR 188 Ca 0.16 -0.89 0.05 0.00 -0.37 0.00 0.00 57.07 56.03 3gua s TYR 188 Cb -0.11 -1.57 0.28 0.00 -0.40 0.00 0.00 41.96 40.17 3gua s TYR 188 CO 0.07 -0.35 0.98 -1.13 -1.57 0.00 0.00 175.55 173.55 3gua n SER 189 N 3.43 0.00 0.01 2.29 3.41 -1.26 -1.72 113.62 119.79 3gua n SER 189 Ca -0.19 0.14 -0.02 0.00 -0.26 0.00 0.00 58.87 58.54 3gua n SER 189 Cb 0.53 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 3gua n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gua h PRO 192 N 8.11 0.00 -6.71 0.00 0.11 -1.92 -3.39 132.00 128.21 3gua h PRO 192 Ca -0.21 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.39 3gua h PRO 192 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3gua h PRO 192 CO 0.58 0.00 0.41 -1.83 -0.21 0.00 0.00 178.00 176.95 3gua s GLU 193 N -3.80 4.72 0.42 1.05 1.03 -1.26 -5.02 118.70 115.85 3gua s GLU 193 Ca -0.02 1.60 -0.24 0.00 0.03 0.00 0.00 54.97 56.33 3gua s GLU 193 Cb 0.10 -3.28 -0.08 0.00 -0.80 0.00 0.00 34.13 30.07 3gua s GLU 193 CO 0.35 0.30 1.14 -1.25 -1.33 0.00 0.00 175.26 174.47 3gua s PRO 194 N -0.82 3.97 -0.09 -4.83 0.04 -1.26 -4.77 135.00 127.25 3gua s PRO 194 Ca 0.45 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.26 3gua s PRO 194 Cb -0.27 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 3gua s PRO 194 CO 0.34 -0.36 -0.15 0.71 0.04 0.00 0.00 177.00 177.58 3gua s TYR 195 N -1.50 2.72 0.03 0.56 2.02 -0.58 -0.73 117.35 119.86 3gua s TYR 195 Ca 0.59 -0.44 0.07 0.00 -0.37 0.00 0.00 57.07 56.91 3gua s TYR 195 Cb -0.28 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 3gua s TYR 195 CO 0.35 -0.04 -0.17 0.42 -1.57 0.00 0.00 175.55 174.54 3gua s ILE 196 N -0.19 2.84 0.13 2.71 -1.09 -1.26 0.71 121.20 125.05 3gua s ILE 196 Ca -0.00 -1.13 -0.11 0.00 -2.23 0.00 0.00 60.65 57.18 3gua s ILE 196 Cb -0.13 -2.19 0.01 0.00 -1.58 0.00 0.00 42.46 38.56 3gua s ILE 196 CO 0.03 0.36 0.29 1.51 -1.23 0.00 0.00 174.94 175.91 3gua s ASP 197 N -1.37 -0.01 -0.17 3.58 -4.77 -0.04 -4.56 116.67 109.33 3gua s ASP 197 Ca 0.14 -0.62 -0.04 0.00 -3.30 0.00 0.00 52.55 48.74 3gua s ASP 197 Cb -0.11 0.41 -0.02 0.00 -1.09 0.00 0.00 42.92 42.12 3gua s ASP 197 CO 0.05 -0.83 -0.04 -0.69 0.70 0.00 0.00 175.17 174.36 3gua s VAL 198 N -3.88 3.74 -0.41 2.11 1.01 0.11 -0.18 120.40 122.90 3gua s VAL 198 Ca 0.08 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 3gua s VAL 198 Cb 0.03 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.78 3gua s VAL 198 CO -0.08 0.47 0.30 0.21 0.00 0.00 0.00 175.10 176.00 3gua s ASN 199 N 0.68 6.08 -0.33 3.32 2.47 0.83 0.13 114.94 128.13 3gua s ASN 199 Ca -0.02 -0.94 -0.21 0.00 0.42 0.00 0.00 52.86 52.11 3gua s ASN 199 Cb -0.14 -2.15 -0.00 0.00 -1.45 0.00 0.00 41.25 37.50 3gua s ASN 199 CO 0.02 -0.46 0.65 -0.22 -3.72 0.00 0.00 177.10 173.37 3gua s LEU 200 N 1.67 4.18 -0.18 3.21 2.96 0.15 -1.47 118.68 129.19 3gua s LEU 200 Ca 0.05 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 3gua s LEU 200 Cb -0.19 -2.83 0.03 0.00 0.50 0.00 0.00 46.19 43.69 3gua s LEU 200 CO 0.09 -0.54 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.72 3gua s VAL 201 N 2.69 1.95 -0.12 1.68 1.01 -0.18 -1.11 120.40 126.32 3gua s VAL 201 Ca 0.26 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.29 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 0.44 -0.17 -0.69 0.00 0.00 0.00 175.10 174.81 3gua s VAL 202 N 1.31 2.70 -0.23 2.92 1.01 0.39 -0.97 120.40 127.54 3gua s VAL 202 Ca 0.03 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3gua s VAL 202 Cb -0.14 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3gua s VAL 202 CO -0.11 0.54 0.07 -0.54 0.00 0.00 0.00 175.10 175.05 3gua s LYS 203 N 0.30 3.73 0.08 2.72 1.02 0.41 -0.72 119.74 127.28 3gua s LYS 203 Ca -0.13 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 55.40 3gua s LYS 203 Cb -0.16 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3gua s LYS 203 CO 0.07 -0.07 0.03 -0.59 -0.92 0.00 0.00 175.35 173.87 3gua s PHE 204 N 1.29 0.59 0.18 3.18 -0.12 -0.24 0.53 117.98 123.40 3gua s PHE 204 Ca 0.05 -1.07 -0.12 0.00 -0.05 0.00 0.00 56.93 55.74 3gua s PHE 204 Cb -0.15 -0.38 0.01 0.00 -0.63 0.00 0.00 43.02 41.87 3gua s PHE 204 CO 0.03 -0.45 0.39 -0.98 -0.05 0.00 0.00 175.22 174.16 3gua s ARG 205 N -3.96 1.27 0.41 1.99 1.70 -0.99 -0.36 118.95 119.01 3gua s ARG 205 Ca 0.12 -1.06 -0.26 0.00 -0.47 0.00 0.00 55.73 54.07 3gua s ARG 205 Cb 0.07 0.44 -0.08 0.00 -0.57 0.00 0.00 34.95 34.81 3gua s ARG 205 CO -0.06 -0.50 1.28 -1.21 -1.08 0.00 0.00 175.30 173.73 3gua s GLU 206 N -3.94 3.93 0.61 3.89 2.02 -0.02 -1.16 118.70 124.04 3gua s GLU 206 Ca 0.14 2.09 -0.19 0.00 0.02 0.00 0.00 54.97 57.04 3gua s GLU 206 Cb 0.01 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 3gua s GLU 206 CO -0.00 -0.50 1.09 -2.13 0.02 0.00 0.00 175.26 173.73 3gua n ARG 207 N 0.04 1.02 0.00 1.61 0.63 -0.66 -4.73 116.66 114.58 3gua n ARG 207 Ca 0.04 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 3gua n ARG 207 Cb 0.44 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.05 3gua n ARG 207 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66