#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 1.23 0.07 2.11 0.99 -2.05 -1.98 116.97 117.35 3gua h TYR -7 Ca 0.00 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 3gua h TYR -7 Cb 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 36.73 37.35 3gua h TYR -7 CO 0.00 0.89 -0.04 -0.22 -0.00 0.00 0.00 178.16 178.79 3gua h LYS -6 N 1.22 -0.09 0.00 4.88 3.64 -2.05 0.13 116.57 124.30 3gua h LYS -6 Ca 0.30 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3gua h LYS -6 Cb 0.11 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3gua h LYS -6 CO -0.04 -0.06 0.00 -0.40 -2.27 0.00 0.00 179.45 176.69 3gua n ASP -5 N -5.13 0.74 -0.02 4.20 3.85 -1.21 -0.06 116.55 118.92 3gua n ASP -5 Ca -0.08 0.62 -0.16 0.00 -0.71 0.00 0.00 54.79 54.46 3gua n ASP -5 Cb 0.07 -0.80 -0.10 0.00 -1.35 0.00 0.00 41.12 38.94 3gua n ASP -5 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3gua h ASP -4 N 0.00 0.39 0.31 -1.12 3.32 -0.92 -2.54 116.42 115.86 3gua h ASP -4 Ca 0.00 -0.70 -0.07 0.00 0.02 0.00 0.00 57.03 56.27 3gua h ASP -4 Cb 0.56 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3gua h ASP -4 CO 0.00 1.04 -0.34 -0.78 -1.72 0.00 0.00 179.24 177.44 3gua h ASP -3 N -0.22 0.05 0.68 6.45 3.58 -0.42 -2.15 116.42 124.39 3gua h ASP -3 Ca -0.04 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.24 3gua h ASP -3 Cb 1.06 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 3gua h ASP -3 CO 0.08 0.38 -0.75 0.44 -2.88 0.00 0.00 179.24 176.50 3gua h ASP -2 N 0.04 0.07 -0.17 2.28 3.45 -0.51 -0.86 116.42 120.72 3gua h ASP -2 Ca 0.00 -0.05 -0.21 0.00 0.43 0.00 0.00 57.03 57.20 3gua h ASP -2 Cb 0.62 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 39.37 3gua h ASP -2 CO 0.05 0.80 -0.70 0.11 -1.57 0.00 0.00 179.24 177.92 3gua h LYS -1 N 0.04 0.80 -0.68 3.56 1.57 -1.26 -2.91 116.57 117.69 3gua h LYS -1 Ca -0.01 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 3gua h LYS -1 Cb 1.33 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.71 3gua h LYS -1 CO 0.10 1.22 0.43 -0.07 -0.57 0.00 0.00 179.45 180.56 3gua h LEU 0 N 0.57 0.80 -0.15 2.94 3.38 -1.34 -1.35 115.31 120.15 3gua h LEU 0 Ca -0.03 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3gua h LEU 0 Cb 1.32 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 3gua h LEU 0 CO 0.15 0.60 -0.07 -0.74 0.09 0.00 0.00 178.44 178.46 3gua h HIS 1 N 0.92 -0.17 -0.07 1.13 2.76 -1.20 -0.57 115.15 117.95 3gua h HIS 1 Ca 0.25 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.36 3gua h HIS 1 Cb -0.07 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 3gua h HIS 1 CO -0.02 -0.12 -0.27 0.66 -1.30 0.00 0.00 177.93 176.88 3gua h SER 2 N -0.06 0.12 -0.06 3.26 4.64 -1.28 -1.78 113.55 118.40 3gua h SER 2 Ca 0.08 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3gua h SER 2 Cb 0.19 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3gua h SER 2 CO -0.19 0.40 -0.01 1.56 -0.87 0.00 0.00 176.83 177.71 3gua h GLN 3 N 0.12 0.11 -0.57 4.77 4.20 -0.91 -2.76 115.11 120.07 3gua h GLN 3 Ca 0.02 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.77 3gua h GLN 3 Cb 0.54 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 3gua h GLN 3 CO 0.04 0.45 0.18 0.00 -0.67 0.00 0.00 178.83 178.83 3gua h ALA 4 N 0.66 0.70 -0.39 3.87 0.00 -0.78 -0.53 119.26 122.79 3gua h ALA 4 Ca 0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3gua h ALA 4 Cb 0.41 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3gua h ALA 4 CO 0.01 -0.23 0.14 -0.91 0.00 0.00 0.00 179.25 178.25 3gua h ASN 5 N 0.35 0.15 -0.53 0.00 2.35 -1.32 0.84 115.58 117.42 3gua h ASN 5 Ca 0.28 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 56.02 3gua h ASN 5 Cb 0.36 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3gua h ASN 5 CO -0.31 0.12 0.09 0.25 -1.65 0.00 0.00 177.43 175.93 3gua h LEU 6 N 0.29 0.84 -0.56 1.61 5.85 -1.10 -0.91 115.31 121.33 3gua h LEU 6 Ca 0.18 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3gua h LEU 6 Cb 0.16 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3gua h LEU 6 CO -0.18 0.89 0.34 0.24 -0.34 0.00 0.00 178.44 179.38 3gua h MET 7 N 0.76 0.64 -0.10 1.25 2.86 -0.68 0.41 114.93 120.07 3gua h MET 7 Ca 0.16 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 3gua h MET 7 Cb 0.40 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 3gua h MET 7 CO 0.01 0.42 -0.10 -0.09 1.06 0.00 0.00 176.91 178.21 3gua h ARG 8 N 0.66 -0.12 0.06 1.72 2.43 -0.62 0.99 114.38 119.50 3gua h ARG 8 Ca 0.23 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3gua h ARG 8 Cb 0.04 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3gua h ARG 8 CO -0.11 -0.08 -0.07 1.25 -1.51 0.00 0.00 179.97 179.45 3gua h LEU 9 N -0.13 -0.18 -0.38 3.80 5.85 -0.62 0.26 115.31 123.92 3gua h LEU 9 Ca 0.07 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3gua h LEU 9 Cb 0.24 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3gua h LEU 9 CO -0.18 -0.11 0.19 0.11 -0.34 0.00 0.00 178.44 178.11 3gua h LYS 10 N -0.15 0.54 -0.64 1.25 1.57 -0.77 0.11 116.57 118.49 3gua h LYS 10 Ca 0.01 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3gua h LYS 10 Cb 0.15 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3gua h LYS 10 CO -0.03 0.48 0.40 1.03 -0.57 0.00 0.00 179.45 180.76 3gua h SER 11 N 0.47 0.68 -0.38 0.86 0.87 -0.64 -0.53 113.55 114.88 3gua h SER 11 Ca 0.13 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3gua h SER 11 Cb 0.11 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3gua h SER 11 CO -0.02 0.48 0.08 0.44 -0.53 0.00 0.00 176.83 177.28 3gua h ASP 12 N 0.81 0.59 -0.68 6.23 3.32 -0.65 -1.52 116.42 124.51 3gua h ASP 12 Ca 0.25 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3gua h ASP 12 Cb -0.02 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3gua h ASP 12 CO -0.08 0.68 0.24 -0.07 -1.72 0.00 0.00 179.24 178.29 3gua h LEU 13 N 0.47 0.97 -0.02 1.55 3.38 -0.46 -2.64 115.31 118.56 3gua h LEU 13 Ca 0.12 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3gua h LEU 13 Cb 0.33 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gua h LEU 13 CO 0.00 0.90 -0.22 0.15 0.09 0.00 0.00 178.44 179.36 3gua h PHE 14 N 0.99 0.27 0.00 1.13 3.57 -1.10 -3.28 116.94 118.51 3gua h PHE 14 Ca 0.22 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3gua h PHE 14 Cb 0.26 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3gua h PHE 14 CO 0.02 0.88 0.00 0.09 -2.23 0.00 0.00 178.31 177.07 3gua n ASN 15 N -4.54 0.00 -4.75 0.41 3.02 -0.58 -4.88 115.26 103.95 3gua n ASN 15 Ca -0.09 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.18 3gua n ASN 15 Cb 0.47 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.61 3gua n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gua s ARG 16 N -2.00 4.26 1.02 3.52 1.70 -1.00 -4.95 118.95 121.50 3gua s ARG 16 Ca 0.34 2.32 -0.12 0.00 -0.47 0.00 0.00 55.73 57.81 3gua s ARG 16 Cb 0.16 -3.09 0.20 0.00 -0.57 0.00 0.00 34.95 31.64 3gua s ARG 16 CO 0.26 -0.41 1.08 0.45 -1.08 0.00 0.00 175.30 175.60 3gua s SER 17 N 0.25 2.39 -0.02 -2.89 0.15 -1.26 -2.60 113.70 109.71 3gua s SER 17 Ca 0.58 1.35 -0.00 0.00 0.70 0.00 0.00 55.95 58.58 3gua s SER 17 Cb -0.42 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 3gua s SER 17 CO 0.46 -3.30 0.01 -2.65 1.20 0.00 0.00 173.24 168.95 3gua n PRO 18 N -4.30 -1.35 0.00 5.44 -0.02 -1.26 -4.82 135.00 128.69 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 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 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 -0.52 0.00 0.00 -0.52 0.00 -1.07 -4.17 117.12 110.84 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 0.09 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.31 3gua n MET 19 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 3gua n TYR 20 N 0.00 0.00 -0.90 3.17 4.19 -1.26 -4.93 117.16 117.43 3gua n TYR 20 Ca 0.00 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.10 3gua n TYR 20 Cb 0.00 0.00 0.24 0.00 0.49 0.00 0.00 39.34 40.07 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 3.07 0.00 2.98 -0.04 -1.26 -4.99 135.00 134.76 3gua n PRO 21 Ca 0.00 -2.77 0.00 0.00 -0.04 0.00 0.00 63.50 60.69 3gua n PRO 21 Cb 0.00 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 -0.38 -0.98 3.75 0.55 0.00 -1.26 -4.96 105.19 101.91 3gua n GLY 22 Ca 0.43 -1.59 -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 -3.07 3.06 0.32 1.61 0.04 -1.26 -5.04 135.00 130.66 3gua s PRO 23 Ca 0.00 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.08 3gua s PRO 23 Cb 0.00 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3gua s PRO 23 CO 0.00 -1.18 0.20 0.95 0.04 0.00 0.00 177.00 177.01 3gua s THR 24 N -1.45 0.19 0.18 1.26 -4.23 -1.16 -4.96 115.64 105.46 3gua s THR 24 Ca 0.75 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.12 3gua s THR 24 Cb -0.35 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.09 3gua s THR 24 CO 0.39 0.00 1.80 0.11 -0.54 0.00 0.00 174.62 176.38 3gua h LYS 25 N 2.16 0.54 0.00 3.99 1.57 -1.92 -1.90 116.57 121.00 3gua h LYS 25 Ca -0.30 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3gua h LYS 25 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3gua h LYS 25 CO 0.46 0.36 0.00 -0.25 -0.57 0.00 0.00 179.45 179.45 3gua n ASP 26 N -4.84 0.00 -3.02 0.86 8.00 -1.26 -4.06 116.55 112.24 3gua n ASP 26 Ca 0.04 0.47 -0.15 0.00 0.71 0.00 0.00 54.79 55.86 3gua n ASP 26 Cb 0.10 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3gua n ASP 26 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gua n ASP 27 N -1.49 0.50 -4.33 -2.24 2.03 -0.89 -5.14 116.55 104.99 3gua n ASP 27 Ca 0.06 -3.01 -0.29 0.00 0.52 0.00 0.00 54.79 52.07 3gua n ASP 27 Cb 0.26 -0.26 0.19 0.00 -0.72 0.00 0.00 41.12 40.60 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 -2.17 -0.04 -0.03 -0.67 0.04 -0.77 -2.97 135.00 128.40 3gua s PRO 28 Ca 0.35 0.15 -0.07 0.00 0.04 0.00 0.00 61.00 61.46 3gua s PRO 28 Cb 0.37 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 33.20 3gua s PRO 28 CO -0.05 -2.97 0.17 -1.17 0.04 0.00 0.00 177.00 173.02 3gua s LEU 29 N -6.50 1.41 -0.17 -3.56 2.96 0.19 -4.92 118.68 108.09 3gua s LEU 29 Ca 0.68 0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 54.63 3gua s LEU 29 Cb -0.13 0.68 -0.01 0.00 0.50 0.00 0.00 46.19 47.23 3gua s LEU 29 CO 0.56 -0.24 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.36 3gua s THR 30 N -0.75 3.12 -0.17 3.68 2.01 -1.26 -0.41 115.64 121.86 3gua s THR 30 Ca -0.08 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 3gua s THR 30 Cb -0.05 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 3gua s THR 30 CO 0.01 0.48 0.03 -0.69 -0.69 0.00 0.00 174.62 173.77 3gua s VAL 31 N 0.91 4.53 -0.22 3.82 1.01 0.81 -4.41 120.40 126.85 3gua s VAL 31 Ca -0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 3gua s VAL 31 Cb -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 3gua s VAL 31 CO -0.00 0.48 0.15 -0.89 0.00 0.00 0.00 175.10 174.84 3gua s THR 32 N 0.31 5.38 -0.07 3.92 2.01 0.27 -1.17 115.64 126.28 3gua s THR 32 Ca 0.01 0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.21 3gua s THR 32 Cb -0.13 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 3gua s THR 32 CO 0.01 0.38 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.53 3gua s LEU 33 N 0.76 3.36 0.02 4.42 1.43 0.12 -1.82 118.68 126.97 3gua s LEU 33 Ca 0.08 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 3gua s LEU 33 Cb -0.12 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 3gua s LEU 33 CO 0.02 0.36 0.11 -0.83 0.23 0.00 0.00 176.35 176.24 3gua s GLY 34 N -0.92 0.11 -0.11 -3.19 0.00 -0.70 -4.27 107.32 98.23 3gua s GLY 34 Ca 0.13 -0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.56 3gua s GLY 34 CO 0.03 -0.46 -0.23 -1.36 0.00 0.00 0.00 173.10 171.08 3gua s PHE 35 N -1.85 2.50 -0.40 1.90 0.08 -1.26 -1.14 117.98 117.81 3gua s PHE 35 Ca -0.11 -1.09 -0.13 0.00 0.12 0.00 0.00 56.93 55.72 3gua s PHE 35 Cb -0.06 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3gua s PHE 35 CO -0.01 -0.46 0.27 0.99 -0.10 0.00 0.00 175.22 175.91 3gua s THR 36 N 0.49 4.94 -0.22 0.64 2.01 -0.42 -0.73 115.64 122.34 3gua s THR 36 Ca -0.16 -0.81 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 3gua s THR 36 Cb -0.17 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 3gua s THR 36 CO 0.06 -0.31 0.66 -0.22 -0.69 0.00 0.00 174.62 174.11 3gua s LEU 37 N 1.61 4.10 -0.26 4.42 2.96 -0.92 -0.18 118.68 130.43 3gua s LEU 37 Ca 0.04 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 -0.14 0.00 0.50 0.00 0.00 46.19 43.43 3gua s LEU 37 CO 0.08 -0.34 -0.20 0.00 -1.32 0.00 0.00 176.35 174.56 3gua n GLN 38 N 5.43 0.59 -3.69 1.98 6.02 0.25 -3.32 117.38 124.64 3gua n GLN 38 Ca -0.00 0.34 -0.13 0.00 -0.01 0.00 0.00 57.00 57.20 3gua n GLN 38 Cb 0.49 -1.56 -0.09 0.00 1.02 0.00 0.00 30.24 30.10 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 -7.31 -0.56 -0.49 1.08 2.15 -0.85 0.37 116.67 111.06 3gua s ASP 39 Ca -0.36 1.08 -0.19 0.00 0.43 0.00 0.00 52.55 53.51 3gua s ASP 39 Cb 0.12 1.08 0.05 0.00 -0.30 0.00 0.00 42.92 43.88 3gua s ASP 39 CO 0.52 -0.19 0.59 -0.63 -0.17 0.00 0.00 175.17 175.30 3gua s ILE 40 N 0.36 4.92 -0.05 4.11 1.01 -1.26 -0.98 121.20 129.30 3gua s ILE 40 Ca -0.01 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 3gua s ILE 40 Cb -0.04 -4.25 -0.30 0.00 0.01 0.00 0.00 42.46 37.88 3gua s ILE 40 CO -0.00 -0.73 0.91 0.58 0.00 0.00 0.00 174.94 175.69 3gua h VAL 41 N 5.84 1.54 -3.13 2.92 2.07 -1.36 -3.40 116.25 120.74 3gua h VAL 41 Ca -0.27 -2.44 -0.19 0.00 0.82 0.00 0.00 66.70 64.62 3gua h VAL 41 Cb 1.10 3.14 -0.28 0.00 -1.52 0.00 0.00 31.29 33.73 3gua h VAL 41 CO 0.94 0.69 -0.49 -0.75 0.02 0.00 0.00 177.57 177.97 3gua s LYS 42 N -2.52 0.22 -0.35 1.57 2.20 -1.23 -4.90 119.74 114.73 3gua s LYS 42 Ca -0.14 0.41 0.03 0.00 -0.36 0.00 0.00 55.97 55.91 3gua s LYS 42 Cb 0.01 -0.02 0.10 0.00 -1.51 0.00 0.00 37.83 36.41 3gua s LYS 42 CO 0.81 -0.10 0.07 0.00 -0.36 0.00 0.00 175.35 175.77 3gua s ALA 43 N 0.74 2.72 -0.52 3.13 0.00 -1.26 -0.54 121.76 126.03 3gua s ALA 43 Ca -0.05 -2.46 -0.23 0.00 0.00 0.00 0.00 51.96 49.22 3gua s ALA 43 Cb -0.07 -1.93 0.04 0.00 0.00 0.00 0.00 23.12 21.17 3gua s ALA 43 CO -0.04 -1.71 0.85 0.34 0.00 0.00 0.00 175.76 175.19 3gua s ASP 44 N 0.93 6.33 0.04 0.00 -1.08 0.18 -4.88 116.67 118.18 3gua s ASP 44 Ca 0.11 -0.43 0.27 0.00 -0.52 0.00 0.00 52.55 51.98 3gua s ASP 44 Cb -0.19 -2.40 0.87 0.00 -1.46 0.00 0.00 42.92 39.75 3gua s ASP 44 CO -0.10 -1.10 1.70 -1.54 0.52 0.00 0.00 175.17 174.65 3gua n SER 45 N 7.05 0.34 -0.07 -0.34 3.41 -1.26 -0.90 113.62 121.84 3gua n SER 45 Ca 0.00 0.26 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 3gua n SER 45 Cb 0.47 -0.26 0.35 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.68 0.58 0.00 4.04 3.41 -1.26 -4.13 113.62 114.58 3gua n SER 46 Ca 0.06 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3gua n SER 46 Cb 0.36 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.23 0.00 -3.89 6.66 -2.24 -1.19 -5.04 114.28 107.34 3gua n THR 47 Ca 0.08 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 3gua n THR 47 Cb 0.33 1.57 -0.00 0.00 -2.10 0.00 0.00 70.33 70.13 3gua n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gua n ASN 48 N -0.03 -1.93 -4.29 3.42 3.02 -0.08 -4.93 115.26 110.44 3gua n ASN 48 Ca 0.00 -1.04 -0.31 0.00 -0.03 0.00 0.00 54.58 53.20 3gua n ASN 48 Cb 0.14 -3.02 -0.16 0.00 -0.61 0.00 0.00 39.78 36.14 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 -6.47 2.44 -0.01 3.52 2.02 -0.98 -1.49 118.70 117.73 3gua s GLU 49 Ca 0.17 -0.90 0.07 0.00 0.02 0.00 0.00 54.97 54.33 3gua s GLU 49 Cb -0.07 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 3gua s GLU 49 CO 0.89 0.44 -0.22 0.08 0.02 0.00 0.00 175.26 176.46 3gua s VAL 50 N -0.31 1.77 -0.29 2.63 1.01 -0.27 -0.65 120.40 124.30 3gua s VAL 50 Ca 0.01 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 3gua s VAL 50 Cb -0.13 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3gua s VAL 50 CO 0.02 0.47 0.07 -1.81 0.00 0.00 0.00 175.10 173.85 3gua s ASP 51 N -0.61 5.05 0.06 3.32 1.11 0.30 -1.60 116.67 124.31 3gua s ASP 51 Ca 0.09 -0.71 0.04 0.00 0.18 0.00 0.00 52.55 52.14 3gua s ASP 51 Cb -0.09 -1.86 -0.04 0.00 1.07 0.00 0.00 42.92 42.00 3gua s ASP 51 CO -0.01 -0.18 -0.01 -0.76 1.18 0.00 0.00 175.17 175.39 3gua s LEU 52 N 1.49 3.42 -0.15 1.23 1.43 -0.24 -0.84 118.68 125.01 3gua s LEU 52 Ca 0.02 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3gua s LEU 52 Cb -0.17 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.97 3gua s LEU 52 CO 0.02 0.21 -0.20 -0.69 0.23 0.00 0.00 176.35 175.92 3gua s VAL 53 N -1.22 1.95 0.11 -1.59 1.01 -0.16 -0.73 120.40 119.78 3gua s VAL 53 Ca 0.23 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3gua s VAL 53 Cb -0.12 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3gua s VAL 53 CO 0.15 0.53 0.15 -0.72 0.00 0.00 0.00 175.10 175.21 3gua s TYR 54 N 1.09 0.44 -0.23 5.22 -0.85 -0.78 -0.59 117.35 121.66 3gua s TYR 54 Ca -0.01 -0.86 -0.10 0.00 -0.52 0.00 0.00 57.07 55.58 3gua s TYR 54 Cb -0.14 -0.21 -0.05 0.00 0.38 0.00 0.00 41.96 41.94 3gua s TYR 54 CO -0.07 -0.56 0.15 0.71 -1.52 0.00 0.00 175.55 174.25 3gua s TYR 55 N -3.94 3.33 -0.37 -3.49 4.12 0.75 -1.25 117.35 116.49 3gua s TYR 55 Ca 0.13 0.23 -0.10 0.00 0.02 0.00 0.00 57.07 57.34 3gua s TYR 55 Cb 0.05 -2.24 0.03 0.00 -1.52 0.00 0.00 41.96 38.29 3gua s TYR 55 CO -0.05 0.11 0.20 -2.00 0.02 0.00 0.00 175.55 173.83 3gua s GLU 56 N 0.89 2.78 -0.24 -0.62 2.12 -0.65 -1.30 118.70 121.68 3gua s GLU 56 Ca 0.07 -1.11 -0.13 0.00 0.36 0.00 0.00 54.97 54.17 3gua s GLU 56 Cb -0.13 -3.70 -0.05 0.00 0.26 0.00 0.00 34.13 30.51 3gua s GLU 56 CO 0.03 -0.71 0.26 -1.14 -0.54 0.00 0.00 175.26 173.16 3gua s GLN 57 N 1.53 4.08 -0.03 4.30 0.74 -0.29 -3.19 119.66 126.79 3gua s GLN 57 Ca 0.01 -0.11 0.07 0.00 0.05 0.00 0.00 55.36 55.39 3gua s GLN 57 Cb -0.19 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 3gua s GLN 57 CO 0.06 -0.03 -0.23 -0.65 -0.55 0.00 0.00 175.29 173.89 3gua s GLN 58 N 1.32 2.24 -0.03 1.67 -0.21 0.81 -1.73 119.66 123.73 3gua s GLN 58 Ca 0.12 -0.86 -0.03 0.00 0.02 0.00 0.00 55.36 54.61 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 0.07 0.57 0.09 0.50 -2.12 0.00 0.00 175.29 174.40 3gua s ARG 59 N -0.63 0.09 0.26 2.91 3.52 -0.75 -1.68 118.95 122.66 3gua s ARG 59 Ca 0.10 0.14 -0.20 0.00 -0.13 0.00 0.00 55.73 55.65 3gua s ARG 59 Cb -0.10 0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.32 3gua s ARG 59 CO -0.00 -0.03 0.66 1.67 -0.81 0.00 0.00 175.30 176.78 3gua s TRP 60 N 0.21 -0.14 -0.06 5.12 -2.14 -1.07 -0.56 118.94 120.29 3gua s TRP 60 Ca -0.01 -0.27 -0.00 0.00 2.66 0.00 0.00 56.10 58.47 3gua s TRP 60 Cb -0.02 0.60 0.03 0.00 -3.10 0.00 0.00 33.47 30.97 3gua s TRP 60 CO -0.01 -1.14 -0.02 0.21 -2.66 0.00 0.00 176.95 173.33 3gua s LYS 61 N -3.91 0.68 -0.10 3.25 2.20 -1.26 0.27 119.74 120.87 3gua s LYS 61 Ca 0.11 0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 3gua s LYS 61 Cb -0.04 -0.89 -0.01 0.00 -1.51 0.00 0.00 37.83 35.38 3gua s LYS 61 CO 0.05 -0.20 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.11 3gua s LEU 62 N 1.48 2.24 0.39 5.43 1.43 0.07 -4.92 118.68 124.81 3gua s LEU 62 Ca -0.02 -0.49 0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3gua s LEU 62 Cb -0.13 -1.45 0.90 0.00 0.03 0.00 0.00 46.19 45.53 3gua s LEU 62 CO -0.03 0.18 1.93 0.78 0.23 0.00 0.00 176.35 179.44 3gua h ASN 63 N 6.58 0.53 0.05 2.29 2.35 -1.89 -1.56 115.58 123.94 3gua h ASN 63 Ca -0.23 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3gua h ASN 63 Cb 1.22 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3gua h ASN 63 CO 0.49 0.31 0.00 -1.54 -1.65 0.00 0.00 177.43 175.04 3gua n SER 64 N -4.50 0.00 -0.46 5.81 3.41 -1.26 -1.98 113.62 114.64 3gua n SER 64 Ca 0.13 -0.56 0.05 0.00 -0.26 0.00 0.00 58.87 58.22 3gua n SER 64 Cb 0.39 -0.04 0.08 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.04 2.28 -4.77 1.04 4.77 -0.59 -4.97 117.00 113.72 3gua n LEU 65 Ca 0.15 -1.49 -0.37 0.00 -0.03 0.00 0.00 56.01 54.27 3gua n LEU 65 Cb 0.08 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3gua n LEU 65 CO 0.12 0.52 0.83 -0.04 -1.33 0.00 0.00 177.39 177.49 3gua s MET 66 N -0.89 3.72 0.16 3.23 -1.94 -0.84 -3.91 119.30 118.83 3gua s MET 66 Ca 0.15 1.77 -0.16 0.00 -1.71 0.00 0.00 55.69 55.74 3gua s MET 66 Cb 0.09 -2.37 0.03 0.00 2.01 0.00 0.00 34.83 34.58 3gua s MET 66 CO 0.13 -0.58 0.44 1.67 -0.01 0.00 0.00 175.02 176.67 3gua s TRP 67 N -1.56 -0.11 -0.44 -0.03 -2.14 -0.12 -4.93 118.94 109.60 3gua s TRP 67 Ca 0.64 -0.22 -0.18 0.00 2.66 0.00 0.00 56.10 59.01 3gua s TRP 67 Cb -0.28 0.29 0.03 0.00 -3.10 0.00 0.00 33.47 30.40 3gua s TRP 67 CO 0.34 -0.80 0.47 0.34 -2.66 0.00 0.00 176.95 174.65 3gua s ASP 68 N -2.85 6.20 0.57 -2.66 2.15 -1.26 -4.66 116.67 114.16 3gua s ASP 68 Ca 0.07 -0.73 0.32 0.00 0.43 0.00 0.00 52.55 52.63 3gua s ASP 68 Cb 0.01 -2.23 1.44 0.00 -0.30 0.00 0.00 42.92 41.83 3gua s ASP 68 CO -0.07 -0.64 1.80 -0.65 -0.17 0.00 0.00 175.17 175.44 3gua h PRO 69 N 8.77 0.00 0.00 4.34 0.11 -1.93 0.32 132.00 143.62 3gua h PRO 69 Ca -0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 3gua h PRO 69 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3gua h PRO 69 CO 0.83 0.00 -0.23 -0.91 -0.21 0.00 0.00 178.00 177.48 3gua h ASN 70 N 0.00 0.00 0.76 -2.05 2.35 -1.92 0.25 115.58 114.97 3gua h ASN 70 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3gua h ASN 70 Cb 1.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.18 3gua h ASN 70 CO -0.00 0.23 -0.30 -0.62 -1.65 0.00 0.00 177.43 175.09 3gua n GLU 71 N -4.17 0.04 -2.60 0.81 1.02 0.11 -4.27 120.64 111.59 3gua n GLU 71 Ca -0.02 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 3gua n GLU 71 Cb 0.29 -1.53 0.01 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.59 2.45 -3.88 -0.32 4.01 -0.82 -4.97 117.16 112.05 3gua n TYR 72 Ca 0.06 -3.06 -0.26 0.00 -0.16 0.00 0.00 57.90 54.48 3gua n TYR 72 Cb 0.35 -0.23 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 3gua n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gua n GLY 73 N -0.28 -0.35 2.41 2.72 0.00 -1.19 -2.02 105.19 106.48 3gua n GLY 73 Ca 0.26 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 3gua n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gua n ASN 74 N -2.93 -4.41 -4.71 1.61 4.13 0.81 -4.95 115.26 104.81 3gua n ASN 74 Ca -0.16 0.28 -0.42 0.00 1.68 0.00 0.00 54.58 55.96 3gua n ASN 74 Cb 0.62 -3.58 -0.03 0.00 -1.54 0.00 0.00 39.78 35.25 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 -1.90 2.99 -0.26 2.41 1.01 -0.86 -4.92 121.20 119.67 3gua s ILE 75 Ca 0.00 0.62 0.09 0.00 0.00 0.00 0.00 60.65 61.37 3gua s ILE 75 Cb 0.00 -3.40 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 3gua s ILE 75 CO 0.00 0.03 0.32 0.35 0.00 0.00 0.00 174.94 175.64 3gua n THR 76 N 4.24 0.00 -3.59 2.92 -2.24 -1.26 -4.37 114.28 109.98 3gua n THR 76 Ca 0.14 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 3gua n THR 76 Cb 0.40 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.40 -0.37 0.04 3.42 -4.77 -1.26 -1.35 116.67 109.98 3gua s ASP 77 Ca 0.01 0.44 -0.02 0.00 -3.30 0.00 0.00 52.55 49.68 3gua s ASP 77 Cb 0.07 0.36 -0.03 0.00 -1.09 0.00 0.00 42.92 42.23 3gua s ASP 77 CO 0.39 -0.31 0.00 0.72 0.70 0.00 0.00 175.17 176.68 3gua s PHE 78 N -0.94 0.35 -0.07 2.11 -0.12 -0.02 -4.98 117.98 114.31 3gua s PHE 78 Ca -0.01 -0.75 -0.12 0.00 -0.05 0.00 0.00 56.93 56.00 3gua s PHE 78 Cb -0.01 -0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.07 3gua s PHE 78 CO 0.00 -0.32 0.31 1.03 -0.05 0.00 0.00 175.22 176.19 3gua s ARG 79 N -2.78 3.85 0.06 1.99 3.00 -1.26 -0.87 118.95 122.93 3gua s ARG 79 Ca -0.04 0.19 -0.07 0.00 0.00 0.00 0.00 55.73 55.81 3gua s ARG 79 Cb -0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 34.95 31.68 3gua s ARG 79 CO -0.06 0.62 0.13 -0.08 0.00 0.00 0.00 175.30 175.92 3gua s THR 80 N -0.72 0.14 0.33 0.02 -1.32 -0.74 -5.00 115.64 108.35 3gua s THR 80 Ca 0.20 -1.17 -0.29 0.00 -1.21 0.00 0.00 61.69 59.22 3gua s THR 80 Cb -0.14 -1.13 -0.11 0.00 -1.51 0.00 0.00 72.50 69.61 3gua s THR 80 CO 0.09 -0.65 1.42 -0.55 -2.21 0.00 0.00 174.62 172.72 3gua s SER 81 N -2.47 6.56 0.61 8.08 0.15 -1.26 -1.13 113.70 124.23 3gua s SER 81 Ca -0.00 2.85 0.39 0.00 0.70 0.00 0.00 55.95 59.88 3gua s SER 81 Cb 0.02 -2.65 1.94 0.00 -1.71 0.00 0.00 66.02 63.62 3gua s SER 81 CO -0.07 -0.72 2.20 0.00 1.20 0.00 0.00 173.24 175.85 3gua h ALA 82 N 3.59 1.04 0.00 5.45 0.00 -0.98 0.16 119.26 128.51 3gua h ALA 82 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gua h ALA 82 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gua h ALA 82 CO 0.68 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3gua n ALA 83 N -2.11 2.05 1.04 0.00 0.00 -1.26 -3.13 120.51 117.09 3gua n ALA 83 Ca -0.02 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.53 3gua n ALA 83 Cb 0.17 -1.41 0.51 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.89 0.18 -4.10 0.00 8.00 0.04 -4.88 116.55 113.90 3gua n ASP 84 Ca 0.05 0.19 -0.09 0.00 0.71 0.00 0.00 54.79 55.65 3gua n ASP 84 Cb 0.31 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 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 -2.96 0.41 0.35 0.53 -4.36 -1.18 -5.06 121.20 108.92 3gua s ILE 85 Ca 0.14 -1.62 -0.29 0.00 -0.26 0.00 0.00 60.65 58.63 3gua s ILE 85 Cb 0.19 -1.26 -0.11 0.00 1.25 0.00 0.00 42.46 42.53 3gua s ILE 85 CO 0.58 -0.80 1.47 0.86 0.24 0.00 0.00 174.94 177.29 3gua s TRP 86 N -3.10 2.72 0.07 1.37 -0.00 -1.26 -4.94 118.94 113.80 3gua s TRP 86 Ca 0.03 1.13 0.03 0.00 -0.00 0.00 0.00 56.10 57.30 3gua s TRP 86 Cb 0.02 -3.96 -0.03 0.00 -0.00 0.00 0.00 33.47 29.50 3gua s TRP 86 CO -0.05 -2.88 -0.10 0.95 -0.00 0.00 0.00 176.95 174.87 3gua s THR 87 N -0.86 0.82 0.55 5.86 -4.23 -1.26 -5.10 115.64 111.42 3gua s THR 87 Ca 0.54 -1.40 -0.17 0.00 -1.18 0.00 0.00 61.69 59.48 3gua s THR 87 Cb -0.45 -1.06 -0.06 0.00 1.34 0.00 0.00 72.50 72.27 3gua s THR 87 CO 0.57 -0.45 1.04 -2.16 -0.54 0.00 0.00 174.62 173.09 3gua s PRO 88 N -2.23 3.55 -0.50 3.99 0.04 -1.26 -4.93 135.00 133.67 3gua s PRO 88 Ca -0.01 1.21 -0.04 0.00 0.04 0.00 0.00 61.00 62.21 3gua s PRO 88 Cb -0.06 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.51 3gua s PRO 88 CO 0.00 -0.63 2.68 -0.40 0.04 0.00 0.00 177.00 178.70 3gua n ASP 89 N -1.66 6.59 -4.65 6.66 5.75 -1.26 -4.97 116.55 123.00 3gua n ASP 89 Ca 0.09 -3.27 -0.43 0.00 -0.01 0.00 0.00 54.79 51.16 3gua n ASP 89 Cb 0.53 -1.21 -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 -2.56 4.02 0.10 2.12 -1.09 -1.26 -2.62 121.20 119.91 3gua s ILE 90 Ca 0.58 1.21 0.07 0.00 -2.23 0.00 0.00 60.65 60.28 3gua s ILE 90 Cb 0.39 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.39 3gua s ILE 90 CO -0.24 -0.18 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.22 3gua s THR 91 N 3.96 1.51 0.07 2.92 2.01 0.12 -4.88 115.64 121.35 3gua s THR 91 Ca 0.62 -1.51 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 3gua s THR 91 Cb -0.24 -1.43 -0.06 0.00 0.01 0.00 0.00 72.50 70.78 3gua s THR 91 CO 0.21 -0.15 1.16 0.00 -0.69 0.00 0.00 174.62 175.15 3gua s ALA 92 N -1.33 3.36 -0.32 7.40 0.00 -1.26 -1.37 121.76 128.23 3gua s ALA 92 Ca 0.05 0.81 0.24 0.00 0.00 0.00 0.00 51.96 53.06 3gua s ALA 92 Cb -0.09 -3.42 0.51 0.00 0.00 0.00 0.00 23.12 20.12 3gua s ALA 92 CO 0.04 -0.38 1.67 1.88 0.00 0.00 0.00 175.76 178.97 3gua h TYR 93 N 6.54 0.00 -0.71 0.00 0.05 -1.09 -3.35 116.97 118.40 3gua h TYR 93 Ca -0.42 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 57.92 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 0.03 -0.93 -1.13 -1.05 0.00 0.00 178.16 175.74 3gua n SER 94 N -3.11 3.62 -4.84 3.88 3.41 -1.26 -5.02 113.62 110.30 3gua n SER 94 Ca 0.03 -3.12 -0.31 0.00 -0.26 0.00 0.00 58.87 55.21 3gua n SER 94 Cb 0.50 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 3gua n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gua s SER 95 N -3.64 6.00 0.00 4.04 1.04 -1.26 -1.65 113.70 118.23 3gua s SER 95 Ca 0.42 1.56 0.03 0.00 0.48 0.00 0.00 55.95 58.44 3gua s SER 95 Cb 0.38 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 3gua s SER 95 CO -0.00 -1.02 0.21 0.35 0.98 0.00 0.00 173.24 173.75 3gua n THR 96 N -2.53 0.00 -3.98 2.02 -2.24 0.81 -4.80 114.28 103.56 3gua n THR 96 Ca 0.07 -0.43 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 3gua n THR 96 Cb 0.54 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.67 3gua n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gua s ARG 97 N -1.17 0.38 0.27 -0.78 1.81 -1.24 -5.04 118.95 113.18 3gua s ARG 97 Ca 0.02 -0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 53.05 3gua s ARG 97 Cb 0.03 0.14 -0.12 0.00 -0.45 0.00 0.00 34.95 34.54 3gua s ARG 97 CO 0.12 -0.07 1.50 -2.30 -0.68 0.00 0.00 175.30 173.87 3gua n PRO 98 N 1.35 2.37 -1.64 3.54 -0.02 -1.26 -4.62 135.00 134.72 3gua n PRO 98 Ca -0.22 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 3gua n PRO 98 Cb 0.56 -2.56 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 3gua n PRO 98 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gua n VAL 99 N 1.96 2.52 -4.30 -1.45 0.31 -1.26 -4.89 118.33 111.22 3gua n VAL 99 Ca 0.10 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.59 3gua n VAL 99 Cb 0.34 -1.29 -0.12 0.00 -0.91 0.00 0.00 33.84 31.86 3gua n VAL 99 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3gua s GLN 100 N -2.09 3.67 -0.17 5.55 -0.21 -0.58 -4.99 119.66 120.84 3gua s GLN 100 Ca 0.63 -0.51 -0.21 0.00 0.02 0.00 0.00 55.36 55.28 3gua s GLN 100 Cb -0.54 -2.97 -0.03 0.00 1.00 0.00 0.00 33.01 30.48 3gua s GLN 100 CO 0.57 0.18 0.65 0.08 -2.12 0.00 0.00 175.29 174.65 3gua s VAL 101 N 0.53 5.02 -0.20 1.09 1.01 -1.26 -1.04 120.40 125.54 3gua s VAL 101 Ca -0.02 1.25 0.22 0.00 0.00 0.00 0.00 61.98 63.42 3gua s VAL 101 Cb -0.14 -3.97 -0.29 0.00 0.00 0.00 0.00 36.38 31.98 3gua s VAL 101 CO 0.02 0.13 0.60 0.18 0.00 0.00 0.00 175.10 176.04 3gua n LEU 102 N 4.81 0.22 -4.68 3.92 4.77 0.26 -4.98 117.00 121.33 3gua n LEU 102 Ca -0.01 -0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.67 3gua n LEU 102 Cb 0.50 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 3gua n LEU 102 CO 0.45 0.03 -0.24 -0.94 -1.33 0.00 0.00 177.39 175.35 3gua s SER 103 N -4.33 4.27 0.80 -1.43 1.04 -1.23 -4.94 113.70 107.88 3gua s SER 103 Ca -0.05 -1.05 -0.13 0.00 0.48 0.00 0.00 55.95 55.20 3gua s SER 103 Cb 0.14 -0.52 0.08 0.00 0.10 0.00 0.00 66.02 65.82 3gua s SER 103 CO 0.89 -0.37 1.21 -2.84 0.98 0.00 0.00 173.24 173.11 3gua s PRO 104 N -3.79 1.67 -1.14 4.02 0.02 -1.26 -4.85 135.00 129.67 3gua s PRO 104 Ca 0.37 1.77 -0.08 0.00 0.02 0.00 0.00 61.00 63.08 3gua s PRO 104 Cb 0.02 -1.78 0.26 0.00 0.02 0.00 0.00 34.50 33.02 3gua s PRO 104 CO 0.21 -2.19 1.43 1.04 -0.33 0.00 0.00 177.00 177.15 3gua n GLN 105 N -3.24 3.90 -4.68 5.54 1.13 -1.26 -4.81 117.38 113.97 3gua n GLN 105 Ca 0.14 -4.27 -0.24 0.00 -1.94 0.00 0.00 57.00 50.68 3gua n GLN 105 Cb 0.50 -2.66 -0.16 0.00 0.11 0.00 0.00 30.24 28.03 3gua n GLN 105 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3gua s ILE 106 N -1.22 1.22 0.26 5.09 1.01 -1.26 -0.31 121.20 125.98 3gua s ILE 106 Ca 0.34 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.49 3gua s ILE 106 Cb -0.00 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 3gua s ILE 106 CO 0.02 0.36 0.09 0.00 0.00 0.00 0.00 174.94 175.41 3gua s ALA 107 N 0.23 3.37 -0.18 9.38 0.00 -0.29 -4.58 121.76 129.70 3gua s ALA 107 Ca -0.06 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.36 3gua s ALA 107 Cb -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.96 3gua s ALA 107 CO 0.02 0.27 -0.14 0.08 0.00 0.00 0.00 175.76 175.99 3gua s VAL 108 N -2.21 2.63 -0.12 0.00 1.01 0.03 -1.80 120.40 119.95 3gua s VAL 108 Ca 0.32 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3gua s VAL 108 Cb -0.07 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3gua s VAL 108 CO 0.22 0.50 -0.02 -0.69 0.00 0.00 0.00 175.10 175.11 3gua s VAL 109 N 1.19 4.11 0.19 2.92 1.01 -0.05 -0.69 120.40 129.08 3gua s VAL 109 Ca 0.02 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.79 3gua s VAL 109 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 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 0.61 3.92 2.01 -0.40 -0.84 115.64 123.73 3gua s THR 110 Ca 0.06 -1.75 0.33 0.00 0.31 0.00 0.00 61.69 60.64 3gua s THR 110 Cb -0.12 -2.54 0.37 0.00 0.01 0.00 0.00 72.50 70.22 3gua s THR 110 CO 0.02 -0.14 2.20 1.12 -0.69 0.00 0.00 174.62 177.13 3gua h HIS 111 N 2.83 0.00 0.00 4.92 2.07 -1.51 0.24 115.15 123.70 3gua h HIS 111 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3gua h HIS 111 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 3gua h HIS 111 CO 0.66 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.12 3gua n ASP 112 N -3.58 0.00 0.00 3.10 5.75 -1.26 -0.95 116.55 119.61 3gua n ASP 112 Ca -0.01 -0.86 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 3gua n ASP 112 Cb 0.19 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 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 0.85 0.75 3.77 6.12 0.00 0.83 -4.65 105.19 112.86 3gua n GLY 113 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.52 7.26 -0.01 1.61 1.04 -1.20 -0.75 113.70 119.13 3gua s SER 114 Ca 0.00 1.50 0.03 0.00 0.48 0.00 0.00 55.95 57.97 3gua s SER 114 Cb 0.00 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.62 3gua s SER 114 CO 0.00 0.13 -0.09 -0.69 0.98 0.00 0.00 173.24 173.57 3gua s VAL 115 N -0.66 3.48 -0.09 5.02 1.01 0.14 -1.28 120.40 128.03 3gua s VAL 115 Ca 0.36 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3gua s VAL 115 Cb -0.21 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3gua s VAL 115 CO 0.24 0.43 -0.11 -0.32 0.00 0.00 0.00 175.10 175.35 3gua s MET 116 N -1.27 1.66 -0.10 2.72 1.75 0.13 -2.60 119.30 121.60 3gua s MET 116 Ca 0.16 -0.36 -0.01 0.00 -1.25 0.00 0.00 55.69 54.22 3gua s MET 116 Cb -0.11 -1.50 0.03 0.00 2.84 0.00 0.00 34.83 36.09 3gua s MET 116 CO 0.06 -0.09 -0.01 0.12 -0.65 0.00 0.00 175.02 174.44 3gua s PHE 117 N 1.08 0.92 -0.56 4.11 5.36 -0.68 -0.79 117.98 127.42 3gua s PHE 117 Ca -0.07 -0.41 0.06 0.00 -0.96 0.00 0.00 56.93 55.55 3gua s PHE 117 Cb -0.14 -0.94 0.21 0.00 -0.34 0.00 0.00 43.02 41.81 3gua s PHE 117 CO -0.01 -0.41 0.54 -0.89 -1.46 0.00 0.00 175.22 172.99 3gua n ILE 118 N 5.08 0.77 -2.54 3.12 5.41 -1.26 -0.13 119.36 129.81 3gua n ILE 118 Ca -0.09 -4.49 -0.40 0.00 1.00 0.00 0.00 62.75 58.77 3gua n ILE 118 Cb 0.50 -2.00 -0.05 0.00 -0.71 0.00 0.00 39.64 37.38 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 -1.39 4.65 0.03 0.38 0.04 -1.19 -4.77 135.00 132.75 3gua s PRO 119 Ca 0.33 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 3gua s PRO 119 Cb 0.08 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 3gua s PRO 119 CO -0.12 0.25 0.71 0.00 0.04 0.00 0.00 177.00 177.89 3gua s ALA 120 N -1.21 3.41 0.04 8.56 0.00 -1.26 -1.63 121.76 129.66 3gua s ALA 120 Ca 0.45 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.63 3gua s ALA 120 Cb -0.30 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3gua s ALA 120 CO 0.38 0.11 -0.06 -0.65 0.00 0.00 0.00 175.76 175.53 3gua s GLN 121 N -0.15 0.47 -0.20 0.00 -0.21 -0.38 0.90 119.66 120.09 3gua s GLN 121 Ca 0.36 -0.72 -0.05 0.00 0.02 0.00 0.00 55.36 54.97 3gua s GLN 121 Cb -0.20 -0.17 -0.03 0.00 1.00 0.00 0.00 33.01 33.61 3gua s GLN 121 CO 0.21 0.02 0.01 0.50 -2.12 0.00 0.00 175.29 173.91 3gua s ARG 122 N -1.56 3.65 -0.10 2.91 3.52 -0.21 -1.87 118.95 125.30 3gua s ARG 122 Ca -0.12 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.02 3gua s ARG 122 Cb -0.10 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 3gua s ARG 122 CO -0.00 0.02 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.13 3gua s LEU 123 N 0.99 1.99 -0.23 -0.88 2.96 0.09 -1.52 118.68 122.08 3gua s LEU 123 Ca 0.02 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.33 3gua s LEU 123 Cb -0.14 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 3gua s LEU 123 CO 0.02 0.12 0.13 -0.44 -1.32 0.00 0.00 176.35 174.86 3gua s SER 124 N 0.48 5.85 0.12 3.68 0.01 -1.26 -1.08 113.70 121.50 3gua s SER 124 Ca -0.16 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.14 3gua s SER 124 Cb -0.17 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 3gua s SER 124 CO 0.06 0.06 0.02 0.72 0.41 0.00 0.00 173.24 174.52 3gua s PHE 125 N 1.05 0.87 -0.05 2.43 -0.12 -0.62 -0.14 117.98 121.40 3gua s PHE 125 Ca 0.06 -1.15 -0.30 0.00 -0.05 0.00 0.00 56.93 55.50 3gua s PHE 125 Cb -0.14 -0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 41.69 3gua s PHE 125 CO 0.04 -0.42 1.57 -1.64 -0.05 0.00 0.00 175.22 174.72 3gua s MET 126 N -3.99 4.20 -0.29 1.99 -1.94 -0.66 -1.12 119.30 117.50 3gua s MET 126 Ca 0.20 2.10 -0.13 0.00 -1.71 0.00 0.00 55.69 56.15 3gua s MET 126 Cb 0.07 -3.86 0.13 0.00 2.01 0.00 0.00 34.83 33.19 3gua s MET 126 CO -0.00 -0.78 0.80 0.00 -0.01 0.00 0.00 175.02 175.03 3gua s ASP 128 N 2.29 6.46 -0.06 0.00 2.15 -1.26 -3.37 116.67 122.88 3gua s ASP 128 Ca -0.06 0.19 0.05 0.00 0.43 0.00 0.00 52.55 53.16 3gua s ASP 128 Cb -0.08 -2.35 0.25 0.00 -0.30 0.00 0.00 42.92 40.45 3gua s ASP 128 CO -0.18 -0.65 0.95 -0.81 -0.17 0.00 0.00 175.17 174.31 3gua n PRO 129 N 6.19 2.13 -1.69 4.34 -0.04 -1.26 -4.71 135.00 139.96 3gua n PRO 129 Ca 0.00 -0.98 -0.44 0.00 -0.04 0.00 0.00 63.50 62.04 3gua n PRO 129 Cb 0.48 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.16 -0.64 0.52 -1.04 -1.26 -1.72 114.28 110.49 3gua n THR 130 Ca 0.09 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3gua n THR 130 Cb 0.49 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 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 3.41 0.76 0.24 3.41 0.00 -1.26 -4.40 105.19 107.34 3gua n GLY 131 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 0.74 0.00 1.61 3.04 -1.53 -1.49 116.25 118.62 3gua h VAL 132 Ca 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 3gua h VAL 132 Cb 0.00 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 3gua h VAL 132 CO 0.00 0.19 0.00 -0.90 -1.01 0.00 0.00 177.57 175.85 3gua n ASP 133 N -3.72 0.00 -4.27 3.17 5.75 -1.26 -1.03 116.55 115.18 3gua n ASP 133 Ca -0.01 -0.94 -0.21 0.00 -0.01 0.00 0.00 54.79 53.61 3gua n ASP 133 Cb 0.31 -0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3gua n ASP 133 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3gua n SER 134 N -1.01 2.43 0.01 -1.12 3.41 -0.57 -4.96 113.62 111.81 3gua n SER 134 Ca 0.23 -2.53 -0.18 0.00 -0.26 0.00 0.00 58.87 56.13 3gua n SER 134 Cb 0.11 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.50 0.00 4.33 4.81 -1.89 -3.23 114.58 119.10 3gua h GLU 135 Ca -0.28 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.43 3gua h GLU 135 Cb 1.02 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3gua h GLU 135 CO 0.44 1.15 0.00 1.05 -0.73 0.00 0.00 179.01 180.92 3gua h GLU 136 N 0.06 0.00 0.00 1.92 9.09 -1.97 -3.49 114.58 120.19 3gua h GLU 136 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 3gua h GLU 136 Cb 1.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.48 3gua h GLU 136 CO 0.14 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.61 3gua n GLY 137 N 0.58 -1.41 3.60 1.06 0.00 -1.15 -4.84 105.19 103.02 3gua n GLY 137 Ca 0.03 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 3gua n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gua s ALA 138 N -1.33 3.03 -0.06 4.61 0.00 0.47 -4.35 121.76 124.12 3gua s ALA 138 Ca 0.00 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.53 3gua s ALA 138 Cb 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 3gua s ALA 138 CO 0.00 0.44 -0.20 0.99 0.00 0.00 0.00 175.76 177.00 3gua s THR 139 N -1.80 1.68 0.07 0.00 2.01 -1.26 -1.16 115.64 115.18 3gua s THR 139 Ca 0.26 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.45 3gua s THR 139 Cb -0.09 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 3gua s THR 139 CO 0.17 0.48 -0.07 0.00 -0.69 0.00 0.00 174.62 174.51 3gua s ALA 141 N -2.56 0.14 -0.06 0.00 0.00 -1.26 -0.45 121.76 117.57 3gua s ALA 141 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 3gua s ALA 141 Cb -0.02 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.22 3gua s ALA 141 CO -0.03 -0.10 0.16 0.54 0.00 0.00 0.00 175.76 176.33 3gua s VAL 142 N -1.05 -0.02 -0.03 0.00 0.11 -0.22 -4.93 120.40 114.26 3gua s VAL 142 Ca -0.11 0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 3gua s VAL 142 Cb -0.07 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 3gua s VAL 142 CO -0.01 0.03 0.35 -0.54 -3.33 0.00 0.00 175.10 171.60 3gua s LYS 143 N 0.51 3.84 -0.08 1.54 1.02 -1.26 -0.75 119.74 124.57 3gua s LYS 143 Ca -0.04 0.29 0.03 0.00 0.02 0.00 0.00 55.97 56.28 3gua s LYS 143 Cb -0.05 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3gua s LYS 143 CO -0.02 0.68 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.86 3gua s PHE 144 N -0.97 2.67 0.13 3.18 0.08 0.12 -0.39 117.98 122.80 3gua s PHE 144 Ca 0.22 -0.43 -0.25 0.00 0.12 0.00 0.00 56.93 56.58 3gua s PHE 144 Cb -0.16 -1.69 0.08 0.00 -0.57 0.00 0.00 43.02 40.69 3gua s PHE 144 CO 0.11 -0.03 1.08 0.20 -0.10 0.00 0.00 175.22 176.48 3gua s GLY 145 N -0.27 -0.09 0.60 4.36 0.00 -0.47 -0.37 107.32 111.08 3gua s GLY 145 Ca 0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 44.72 44.54 3gua s GLY 145 CO 0.03 1.65 1.23 -0.45 0.00 0.00 0.00 173.10 175.56 3gua s SER 146 N -3.24 5.06 -0.02 1.64 0.15 -1.26 -0.71 113.70 115.32 3gua s SER 146 Ca 0.19 2.45 0.01 0.00 0.70 0.00 0.00 55.95 59.29 3gua s SER 146 Cb -0.01 -2.60 -0.26 0.00 -1.71 0.00 0.00 66.02 61.44 3gua s SER 146 CO 0.02 -1.68 0.76 -0.25 1.20 0.00 0.00 173.24 173.29 3gua h TRP 147 N 0.82 0.31 0.00 3.44 2.91 -1.87 -3.42 115.95 118.14 3gua h TRP 147 Ca -0.51 -0.23 0.00 0.00 1.13 0.00 0.00 58.89 59.28 3gua h TRP 147 Cb 1.31 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 3gua h TRP 147 CO 0.45 1.33 0.00 1.33 -1.03 0.00 0.00 178.44 180.52 3gua n VAL 148 N -3.35 0.00 -4.02 2.65 0.24 -1.26 -5.04 118.33 107.55 3gua n VAL 148 Ca -0.18 -0.35 -0.35 0.00 -2.04 0.00 0.00 64.34 61.42 3gua n VAL 148 Cb 1.04 1.08 -0.09 0.00 -1.47 0.00 0.00 33.84 34.40 3gua n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3gua s TYR 149 N -0.52 3.31 0.92 6.34 2.02 -1.26 -5.11 117.35 123.05 3gua s TYR 149 Ca 0.00 0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.76 3gua s TYR 149 Cb 0.00 -2.01 0.21 0.00 -0.40 0.00 0.00 41.96 39.76 3gua s TYR 149 CO 0.00 0.32 1.26 -1.13 -1.57 0.00 0.00 175.55 174.43 3gua n SER 150 N 3.02 0.30 0.25 2.29 3.41 -1.26 -4.69 113.62 116.94 3gua n SER 150 Ca -0.17 -1.58 0.11 0.00 -0.26 0.00 0.00 58.87 56.96 3gua n SER 150 Cb 0.53 -0.94 0.65 0.00 -0.26 0.00 0.00 64.21 64.19 3gua n SER 150 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3gua h GLY 151 N -1.54 0.00 2.00 5.00 0.00 -0.92 -0.69 103.07 106.92 3gua h GLY 151 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3gua h GLY 151 CO 0.31 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.59 3gua h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.94 -3.35 116.94 117.29 3gua h PHE 152 Ca -0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 3gua h PHE 152 Cb 0.37 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3gua h PHE 152 CO 0.00 0.00 -1.27 0.39 -0.60 0.00 0.00 178.31 176.83 3gua n GLU 153 N -2.91 0.33 -4.13 1.51 4.71 -0.76 -4.31 120.64 115.07 3gua n GLU 153 Ca 0.01 0.14 -0.34 0.00 -0.01 0.00 0.00 57.16 56.96 3gua n GLU 153 Cb 0.27 -1.06 -0.15 0.00 -1.01 0.00 0.00 31.44 29.48 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 -2.41 2.51 -0.10 -3.67 1.01 -0.34 -0.64 121.20 117.56 3gua s ILE 154 Ca -0.20 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.61 3gua s ILE 154 Cb 0.06 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 3gua s ILE 154 CO 0.27 0.50 0.11 -0.62 0.00 0.00 0.00 174.94 175.20 3gua s ASP 155 N 1.27 6.10 0.09 3.58 2.15 0.45 -3.91 116.67 126.41 3gua s ASP 155 Ca 0.04 0.38 0.02 0.00 0.43 0.00 0.00 52.55 53.41 3gua s ASP 155 Cb -0.14 -1.91 -0.04 0.00 -0.30 0.00 0.00 42.92 40.53 3gua s ASP 155 CO -0.08 0.39 0.16 -0.76 -0.17 0.00 0.00 175.17 174.70 3gua s LEU 156 N -1.09 4.06 0.11 -1.34 1.43 -1.26 -0.14 118.68 120.45 3gua s LEU 156 Ca 0.16 0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 3gua s LEU 156 Cb -0.12 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.44 3gua s LEU 156 CO 0.05 0.14 0.35 -1.59 0.23 0.00 0.00 176.35 175.53 3gua s LYS 157 N -2.63 0.99 0.21 1.70 -2.85 -0.32 -4.91 119.74 111.93 3gua s LYS 157 Ca 0.32 -0.73 0.10 0.00 -1.00 0.00 0.00 55.97 54.66 3gua s LYS 157 Cb -0.12 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 3gua s LYS 157 CO 0.25 -0.37 -0.12 0.95 0.10 0.00 0.00 175.35 176.16 3gua s THR 158 N -3.65 2.98 -0.12 3.79 -4.23 -1.26 -0.70 115.64 112.44 3gua s THR 158 Ca 0.02 -1.88 0.14 0.00 -1.18 0.00 0.00 61.69 58.80 3gua s THR 158 Cb 0.02 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 3gua s THR 158 CO -0.11 -0.20 1.31 0.44 -0.54 0.00 0.00 174.62 175.53 3gua h ASP 159 N 2.70 0.00 -5.04 3.99 3.32 -1.97 -3.48 116.42 115.93 3gua h ASP 159 Ca -0.45 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 3gua h ASP 159 Cb 1.22 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.64 3gua h ASP 159 CO 0.55 0.57 0.05 0.28 -1.72 0.00 0.00 179.24 178.97 3gua s THR 160 N -2.93 0.04 -0.64 0.35 -1.32 -1.26 -5.04 115.64 104.84 3gua s THR 160 Ca 0.02 -0.31 0.25 0.00 -1.21 0.00 0.00 61.69 60.45 3gua s THR 160 Cb 0.08 -1.08 0.30 0.00 -1.51 0.00 0.00 72.50 70.30 3gua s THR 160 CO 0.77 -0.17 1.73 0.44 -2.21 0.00 0.00 174.62 175.18 3gua h ASP 161 N 2.28 0.00 -3.58 8.08 3.32 -1.93 -3.44 116.42 121.15 3gua h ASP 161 Ca -0.34 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.11 3gua h ASP 161 Cb 1.27 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.71 3gua h ASP 161 CO 0.43 0.00 0.47 -1.10 -1.72 0.00 0.00 179.24 177.31 3gua s GLN 162 N -3.14 3.63 0.22 3.56 -1.52 -1.26 -0.35 119.66 120.80 3gua s GLN 162 Ca 0.10 0.23 -0.31 0.00 -1.95 0.00 0.00 55.36 53.42 3gua s GLN 162 Cb 0.10 -3.87 -0.11 0.00 -0.22 0.00 0.00 33.01 28.91 3gua s GLN 162 CO 0.61 -1.03 1.62 0.08 -0.25 0.00 0.00 175.29 176.32 3gua s VAL 163 N 3.39 2.29 -0.46 1.09 1.01 -0.86 -4.87 120.40 121.97 3gua s VAL 163 Ca 0.34 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.26 3gua s VAL 163 Cb -0.12 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 3gua s VAL 163 CO 0.21 0.02 1.71 -0.62 0.00 0.00 0.00 175.10 176.42 3gua s ASP 164 N 0.93 5.79 0.00 3.32 2.15 0.09 -4.86 116.67 124.08 3gua s ASP 164 Ca 0.69 0.78 0.22 0.00 0.43 0.00 0.00 52.55 54.67 3gua s ASP 164 Cb -0.47 -2.53 0.58 0.00 -0.30 0.00 0.00 42.92 40.21 3gua s ASP 164 CO 0.36 -1.89 1.49 0.18 -0.17 0.00 0.00 175.17 175.15 3gua n LEU 165 N 10.78 3.62 0.02 -1.34 4.77 -1.26 -2.15 117.00 131.44 3gua n LEU 165 Ca 0.20 -1.77 0.11 0.00 -0.03 0.00 0.00 56.01 54.52 3gua n LEU 165 Cb 0.49 -0.42 0.46 0.00 -2.33 0.00 0.00 43.42 41.62 3gua n LEU 165 CO 0.70 0.88 0.85 -1.54 -1.33 0.00 0.00 177.39 176.95 3gua n SER 166 N 1.50 0.15 -0.45 -1.43 3.41 -1.26 -2.12 113.62 113.41 3gua n SER 166 Ca 0.22 0.53 0.04 0.00 -0.26 0.00 0.00 58.87 59.40 3gua n SER 166 Cb 0.58 -0.56 0.10 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.65 2.49 -4.72 4.04 7.64 -1.26 -5.02 113.62 115.14 3gua n SER 167 Ca 0.05 -1.87 -0.42 0.00 1.01 0.00 0.00 58.87 57.64 3gua n SER 167 Cb 0.27 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 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 -0.94 2.99 -0.29 1.43 5.04 -0.90 -4.63 117.35 120.05 3gua s TYR 168 Ca 0.16 0.54 -0.35 0.00 -2.44 0.00 0.00 57.07 54.98 3gua s TYR 168 Cb 0.09 -4.01 -0.11 0.00 0.35 0.00 0.00 41.96 38.27 3gua s TYR 168 CO 0.11 -3.74 2.11 0.98 -1.34 0.00 0.00 175.55 173.68 3gua n TYR 169 N 3.82 1.78 -0.25 4.97 9.36 0.16 -4.83 117.16 132.17 3gua n TYR 169 Ca 0.14 0.21 0.16 0.00 3.32 0.00 0.00 57.90 61.74 3gua n TYR 169 Cb 0.37 -2.57 0.46 0.00 -0.63 0.00 0.00 39.34 36.97 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 11.82 2.05 -0.55 2.98 0.00 -1.90 -2.53 119.26 131.13 3gua h ALA 170 Ca -0.33 0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.30 3gua h ALA 170 Cb 1.30 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.86 3gua h ALA 170 CO 1.00 -0.32 0.09 0.43 0.00 0.00 0.00 179.25 180.44 3gua n SER 171 N -4.55 3.11 -4.74 0.00 7.64 -1.26 -5.03 113.62 108.80 3gua n SER 171 Ca 0.19 -3.76 -0.32 0.00 1.01 0.00 0.00 58.87 55.99 3gua n SER 171 Cb 0.61 -0.69 0.09 0.00 -1.01 0.00 0.00 64.21 63.22 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 -2.30 4.29 0.56 6.43 0.15 -0.96 -4.91 113.70 116.97 3gua s SER 172 Ca 0.49 2.07 0.31 0.00 0.70 0.00 0.00 55.95 59.51 3gua s SER 172 Cb 0.43 -2.55 1.66 0.00 -1.71 0.00 0.00 66.02 63.84 3gua s SER 172 CO 0.02 -2.18 2.15 0.11 1.20 0.00 0.00 173.24 174.54 3gua h LYS 173 N -0.75 0.00 -5.38 5.44 1.79 -1.91 -3.43 116.57 112.33 3gua h LYS 173 Ca -0.45 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.49 3gua h LYS 173 Cb 1.26 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.61 3gua h LYS 173 CO 0.50 0.07 -0.83 0.71 -1.08 0.00 0.00 179.45 178.82 3gua s TYR 174 N -4.25 1.48 0.08 -1.35 2.02 -1.26 -1.71 117.35 112.35 3gua s TYR 174 Ca -0.03 -0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3gua s TYR 174 Cb 0.13 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 3gua s TYR 174 CO 0.55 -0.07 0.11 -1.83 -1.57 0.00 0.00 175.55 172.74 3gua s GLU 175 N -0.21 3.01 -0.19 -0.62 -1.05 -0.28 -4.76 118.70 114.60 3gua s GLU 175 Ca 0.03 -0.64 -0.21 0.00 -0.15 0.00 0.00 54.97 54.00 3gua s GLU 175 Cb -0.08 -2.80 -0.03 0.00 -0.44 0.00 0.00 34.13 30.79 3gua s GLU 175 CO 0.00 0.57 0.62 0.42 0.95 0.00 0.00 175.26 177.82 3gua s ILE 176 N -1.43 5.03 -0.07 1.83 -1.09 -1.26 -2.33 121.20 121.88 3gua s ILE 176 Ca 0.31 1.17 -0.03 0.00 -2.23 0.00 0.00 60.65 59.87 3gua s ILE 176 Cb -0.12 -3.94 -0.27 0.00 -1.58 0.00 0.00 42.46 36.56 3gua s ILE 176 CO 0.23 0.13 0.56 -0.07 -1.23 0.00 0.00 174.94 174.56 3gua h LEU 177 N 8.07 0.36 -7.00 2.97 3.38 -0.11 -3.49 115.31 119.50 3gua h LEU 177 Ca -0.32 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 56.93 3gua h LEU 177 Cb 1.15 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.61 3gua h LEU 177 CO 0.77 1.61 0.26 -0.94 0.09 0.00 0.00 178.44 180.24 3gua s SER 178 N -6.89 -0.57 -0.12 -0.43 1.04 -1.09 -4.98 113.70 100.66 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 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.77 3gua s SER 178 CO 0.81 -0.72 0.25 0.00 0.98 0.00 0.00 173.24 174.56 3gua s ALA 179 N -2.33 -0.50 0.18 5.32 0.00 -1.26 -0.31 121.76 122.87 3gua s ALA 179 Ca -0.04 0.88 0.10 0.00 0.00 0.00 0.00 51.96 52.90 3gua s ALA 179 Cb -0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 3gua s ALA 179 CO -0.01 -0.62 -0.20 0.95 0.00 0.00 0.00 175.76 175.87 3gua s THR 180 N 2.38 2.04 -0.15 0.00 -4.23 -0.14 -2.03 115.64 113.50 3gua s THR 180 Ca 0.01 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 3gua s THR 180 Cb -0.12 -1.98 0.04 0.00 1.34 0.00 0.00 72.50 71.78 3gua s THR 180 CO -0.08 -0.27 -0.05 0.00 -0.54 0.00 0.00 174.62 173.67 3gua s GLN 181 N -2.85 1.40 -0.06 3.99 -2.07 0.53 -1.03 119.66 119.58 3gua s GLN 181 Ca 0.19 -0.42 0.04 0.00 -1.82 0.00 0.00 55.36 53.34 3gua s GLN 181 Cb -0.06 -1.86 0.00 0.00 -1.09 0.00 0.00 33.01 29.99 3gua s GLN 181 CO 0.08 -0.39 -0.17 0.99 -1.32 0.00 0.00 175.29 174.48 3gua s THR 182 N 1.67 1.49 0.18 3.63 2.01 -0.55 -4.28 115.64 119.79 3gua s THR 182 Ca 0.02 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 3gua s THR 182 Cb -0.14 -1.29 -0.08 0.00 0.01 0.00 0.00 72.50 70.99 3gua s THR 182 CO -0.08 0.43 1.07 -0.60 -0.69 0.00 0.00 174.62 174.75 3gua s ARG 183 N 0.20 4.63 -0.01 4.92 3.52 -1.26 -0.02 118.95 130.94 3gua s ARG 183 Ca -0.08 1.67 0.04 0.00 -0.13 0.00 0.00 55.73 57.23 3gua s ARG 183 Cb -0.13 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 3gua s ARG 183 CO 0.04 0.14 -0.14 -0.65 -0.81 0.00 0.00 175.30 173.88 3gua s GLN 184 N -0.46 1.08 -0.15 5.12 -0.21 0.14 -4.94 119.66 120.25 3gua s GLN 184 Ca 0.48 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 55.35 3gua s GLN 184 Cb -0.28 -1.05 -0.00 0.00 1.00 0.00 0.00 33.01 32.68 3gua s GLN 184 CO 0.34 0.28 -0.16 0.08 -2.12 0.00 0.00 175.29 173.72 3gua s VAL 185 N -0.37 2.68 0.01 1.09 1.01 -1.26 -1.03 120.40 122.53 3gua s VAL 185 Ca 0.05 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3gua s VAL 185 Cb -0.05 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3gua s VAL 185 CO -0.00 0.52 -0.12 -1.10 0.00 0.00 0.00 175.10 174.39 3gua s GLN 186 N 0.70 2.36 0.08 2.72 -1.52 0.56 -4.95 119.66 119.61 3gua s GLN 186 Ca -0.07 -0.81 0.05 0.00 -1.95 0.00 0.00 55.36 52.57 3gua s GLN 186 Cb -0.16 -2.36 -0.03 0.00 -0.22 0.00 0.00 33.01 30.24 3gua s GLN 186 CO 0.02 0.58 -0.13 -1.01 -0.25 0.00 0.00 175.29 174.50 3gua s HIS 187 N -0.91 1.17 0.09 0.91 3.76 -1.26 -1.66 115.29 117.38 3gua s HIS 187 Ca 0.15 -0.49 -0.11 0.00 -0.15 0.00 0.00 55.06 54.47 3gua s HIS 187 Cb -0.11 -0.65 0.01 0.00 1.11 0.00 0.00 32.58 32.94 3gua s HIS 187 CO 0.05 0.05 0.24 0.71 -0.85 0.00 0.00 174.74 174.94 3gua s TYR 188 N -1.46 0.05 0.35 1.40 1.51 -1.26 -5.05 117.35 112.89 3gua s TYR 188 Ca -0.01 -0.41 0.35 0.00 -1.01 0.00 0.00 57.07 55.98 3gua s TYR 188 Cb -0.09 0.02 1.88 0.00 -0.11 0.00 0.00 41.96 43.66 3gua s TYR 188 CO 0.02 -0.56 2.05 0.66 -1.11 0.00 0.00 175.55 176.62 3gua h SER 189 N 2.80 0.00 0.51 2.29 4.64 -2.02 -3.07 113.55 118.70 3gua h SER 189 Ca -0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 3gua h SER 189 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3gua h SER 189 CO 0.53 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 176.24 3gua n PRO 192 N 4.06 0.09 -3.57 0.00 -0.04 -1.26 -4.60 135.00 129.67 3gua n PRO 192 Ca -0.20 0.24 -0.37 0.00 -0.04 0.00 0.00 63.50 63.14 3gua n PRO 192 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 3gua n PRO 192 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gua s GLU 193 N -2.74 4.10 0.64 0.54 8.01 -1.26 -5.08 118.70 122.91 3gua s GLU 193 Ca 0.08 0.13 -0.14 0.00 0.01 0.00 0.00 54.97 55.05 3gua s GLU 193 Cb 0.07 -3.36 -0.01 0.00 -4.31 0.00 0.00 34.13 26.52 3gua s GLU 193 CO 0.17 0.38 1.06 -1.25 0.01 0.00 0.00 175.26 175.64 3gua s PRO 194 N 0.01 3.08 -0.06 0.39 0.04 -1.26 -4.83 135.00 132.36 3gua s PRO 194 Ca 0.18 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.39 3gua s PRO 194 Cb -0.14 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 3gua s PRO 194 CO 0.06 -1.00 -0.16 0.71 0.04 0.00 0.00 177.00 176.64 3gua s TYR 195 N -2.67 2.65 0.09 0.56 2.02 -0.66 -0.52 117.35 118.82 3gua s TYR 195 Ca 0.62 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 57.06 3gua s TYR 195 Cb -0.16 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3gua s TYR 195 CO 0.44 0.05 -0.13 0.42 -1.57 0.00 0.00 175.55 174.77 3gua s ILE 196 N -0.47 3.18 0.14 2.71 -1.09 -1.26 -0.32 121.20 124.09 3gua s ILE 196 Ca 0.06 -1.29 -0.23 0.00 -2.23 0.00 0.00 60.65 56.96 3gua s ILE 196 Cb -0.12 -2.46 0.07 0.00 -1.58 0.00 0.00 42.46 38.37 3gua s ILE 196 CO 0.02 0.15 0.58 1.51 -1.23 0.00 0.00 174.94 175.97 3gua s ASP 197 N -2.05 -0.53 -0.19 3.58 1.47 -0.20 -4.55 116.67 114.19 3gua s ASP 197 Ca 0.19 0.01 -0.04 0.00 1.18 0.00 0.00 52.55 53.89 3gua s ASP 197 Cb -0.11 0.58 -0.02 0.00 -0.34 0.00 0.00 42.92 43.03 3gua s ASP 197 CO 0.11 -0.93 -0.02 -0.69 0.68 0.00 0.00 175.17 174.32 3gua s VAL 198 N -3.59 3.75 -0.44 2.11 1.01 0.50 0.26 120.40 124.00 3gua s VAL 198 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 3gua s VAL 198 Cb -0.01 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.73 3gua s VAL 198 CO -0.11 0.44 0.38 0.21 0.00 0.00 0.00 175.10 176.02 3gua s ASN 199 N 0.97 6.15 -0.33 3.32 2.47 0.97 0.14 114.94 128.62 3gua s ASN 199 Ca 0.01 -0.96 -0.21 0.00 0.42 0.00 0.00 52.86 52.12 3gua s ASN 199 Cb -0.14 -2.19 -0.00 0.00 -1.45 0.00 0.00 41.25 37.46 3gua s ASN 199 CO 0.01 -0.56 0.66 -0.22 -3.72 0.00 0.00 177.10 173.27 3gua s LEU 200 N 1.84 4.19 -0.18 3.21 2.96 0.07 -1.48 118.68 129.30 3gua s LEU 200 Ca 0.07 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 3gua s LEU 200 Cb -0.20 -2.84 0.02 0.00 0.50 0.00 0.00 46.19 43.68 3gua s LEU 200 CO 0.10 -0.56 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.70 3gua s VAL 201 N 2.72 1.98 -0.11 1.68 1.01 -0.19 -1.05 120.40 126.44 3gua s VAL 201 Ca 0.26 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3gua s VAL 201 Cb -0.14 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3gua s VAL 201 CO 0.14 0.46 -0.19 -0.69 0.00 0.00 0.00 175.10 174.82 3gua s VAL 202 N 1.31 2.56 -0.22 2.92 1.01 0.41 -0.97 120.40 127.42 3gua s VAL 202 Ca 0.03 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 3gua s VAL 202 Cb -0.14 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3gua s VAL 202 CO -0.12 0.55 0.05 -0.54 0.00 0.00 0.00 175.10 175.04 3gua s LYS 203 N 0.23 3.72 0.07 2.72 1.02 0.58 -0.95 119.74 127.13 3gua s LYS 203 Ca -0.12 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 3gua s LYS 203 Cb -0.16 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 3gua s LYS 203 CO 0.06 -0.03 0.05 -0.59 -0.92 0.00 0.00 175.35 173.92 3gua s PHE 204 N 1.18 0.46 0.18 3.18 -0.12 -0.31 0.68 117.98 123.22 3gua s PHE 204 Ca 0.04 -0.95 -0.12 0.00 -0.05 0.00 0.00 56.93 55.85 3gua s PHE 204 Cb -0.14 -0.30 0.01 0.00 -0.63 0.00 0.00 43.02 41.95 3gua s PHE 204 CO 0.03 -0.45 0.38 -0.98 -0.05 0.00 0.00 175.22 174.15 3gua s ARG 205 N -3.92 1.24 0.58 1.99 1.70 -0.99 -0.39 118.95 119.16 3gua s ARG 205 Ca 0.09 -1.05 -0.19 0.00 -0.47 0.00 0.00 55.73 54.11 3gua s ARG 205 Cb 0.07 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 3gua s ARG 205 CO -0.09 -0.49 1.16 -1.21 -1.08 0.00 0.00 175.30 173.60 3gua s GLU 206 N -3.93 3.14 0.00 3.89 2.02 -0.20 -1.13 118.70 122.49 3gua s GLU 206 Ca 0.14 1.68 0.00 0.00 0.02 0.00 0.00 54.97 56.80 3gua s GLU 206 Cb 0.02 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.28 3gua s GLU 206 CO -0.01 -1.04 0.00 -2.13 0.02 0.00 0.00 175.26 172.10