#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3c s VAL 3 N 0.00 4.44 -0.14 0.00 1.01 -1.26 -4.22 120.40 120.23 3g3c s VAL 3 Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 3g3c s VAL 3 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3g3c s VAL 3 CO 0.00 -0.05 -0.05 -0.22 0.00 0.00 0.00 175.10 174.78 3g3c s LEU 4 N 1.56 3.18 -0.18 3.92 2.96 0.99 -4.93 118.68 126.18 3g3c s LEU 4 Ca 0.03 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 3g3c s LEU 4 Cb -0.18 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 3g3c s LEU 4 CO 0.06 0.19 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.48 3g3c s LYS 5 N 0.23 3.51 -0.13 1.98 2.20 -1.26 -0.42 119.74 125.85 3g3c s LYS 5 Ca -0.03 -0.59 0.03 0.00 -0.36 0.00 0.00 55.97 55.02 3g3c s LYS 5 Cb -0.14 -2.93 0.01 0.00 -1.51 0.00 0.00 37.83 33.25 3g3c s LYS 5 CO 0.03 0.03 -0.22 0.42 -0.36 0.00 0.00 175.35 175.25 3g3c s ILE 6 N 0.89 2.03 -0.09 5.43 1.01 0.48 -0.45 121.20 130.50 3g3c s ILE 6 Ca -0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 3g3c s ILE 6 Cb -0.15 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 3g3c s ILE 6 CO 0.01 0.55 -0.06 -0.63 0.00 0.00 0.00 174.94 174.81 3g3c s ILE 7 N 0.68 3.77 0.00 2.92 -1.09 -0.46 -0.19 121.20 126.82 3g3c s ILE 7 Ca -0.11 -0.44 0.08 0.00 -2.23 0.00 0.00 60.65 57.96 3g3c s ILE 7 Cb -0.16 -2.57 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 3g3c s ILE 7 CO 0.01 0.57 -0.26 -0.55 -1.23 0.00 0.00 174.94 173.49 3g3c s SER 8 N -0.48 3.12 -0.27 3.58 0.15 -0.21 0.69 113.70 120.29 3g3c s SER 8 Ca 0.07 -0.51 -0.13 0.00 0.70 0.00 0.00 55.95 56.08 3g3c s SER 8 Cb -0.12 -0.33 0.09 0.00 -1.71 0.00 0.00 66.02 63.95 3g3c s SER 8 CO 0.02 0.30 0.63 0.86 1.20 0.00 0.00 173.24 176.25 3g3c s TRP 9 N -0.68 -1.08 -0.64 3.44 -0.00 0.17 -0.81 118.94 119.35 3g3c s TRP 9 Ca 0.11 2.06 -0.26 0.00 -0.00 0.00 0.00 56.10 58.01 3g3c s TRP 9 Cb -0.10 0.62 0.04 0.00 -0.00 0.00 0.00 33.47 34.03 3g3c s TRP 9 CO 0.00 -0.54 1.14 1.21 -0.00 0.00 0.00 176.95 178.75 3g3c s ASN 10 N 1.99 6.28 0.42 5.86 3.84 -1.26 -0.54 114.94 131.53 3g3c s ASN 10 Ca -0.08 -0.36 0.23 0.00 0.21 0.00 0.00 52.86 52.86 3g3c s ASN 10 Cb -0.08 -2.51 0.37 0.00 -0.55 0.00 0.00 41.25 38.48 3g3c s ASN 10 CO -0.19 -1.55 1.61 -0.37 -2.79 0.00 0.00 177.10 173.82 3g3c h VAL 11 N 6.06 0.00 -5.81 -5.21 -1.51 -1.66 -3.37 116.25 104.74 3g3c h VAL 11 Ca -0.27 -0.96 -0.36 0.00 -1.23 0.00 0.00 66.70 63.87 3g3c h VAL 11 Cb 1.06 1.96 0.13 0.00 -2.13 0.00 0.00 31.29 32.30 3g3c h VAL 11 CO 1.20 0.00 -0.79 -3.20 -1.23 0.00 0.00 177.57 173.55 3g3c n ASN 12 N -3.04 -1.82 0.00 4.19 5.15 -1.22 -4.54 115.26 114.00 3g3c n ASN 12 Ca 0.04 -0.69 0.00 0.00 -0.60 0.00 0.00 54.58 53.33 3g3c n ASN 12 Cb 0.52 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 35.03 3g3c n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3g3c n GLY 13 N -1.31 1.31 0.28 8.20 0.00 0.29 -4.82 105.19 109.14 3g3c n GLY 13 Ca -0.29 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 3g3c n GLY 13 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3g3c h LEU 14 N 0.00 0.91 -1.32 0.99 5.85 -1.15 -1.86 115.31 118.73 3g3c h LEU 14 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3g3c h LEU 14 Cb 0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3g3c h LEU 14 CO 0.00 0.88 0.42 0.03 -0.34 0.00 0.00 178.44 179.42 3g3c h ARG 15 N 0.90 0.88 0.02 1.25 3.08 -1.92 -0.78 114.38 117.79 3g3c h ARG 15 Ca 0.20 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3g3c h ARG 15 Cb 0.29 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3g3c h ARG 15 CO -0.01 0.60 -0.01 0.00 -1.07 0.00 0.00 179.97 179.48 3g3c h ALA 16 N 1.56 -0.03 -0.25 0.04 0.00 -1.72 -2.60 119.26 116.27 3g3c h ALA 16 Ca 0.24 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3g3c h ALA 16 Cb -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3g3c h ALA 16 CO -0.05 -0.36 -0.26 -0.39 0.00 0.00 0.00 179.25 178.20 3g3c h VAL 17 N -0.34 1.27 -0.59 0.00 -1.51 -1.23 -2.45 116.25 111.40 3g3c h VAL 17 Ca -0.00 -1.28 0.10 0.00 -1.23 0.00 0.00 66.70 64.29 3g3c h VAL 17 Cb 0.32 1.36 -0.08 0.00 -2.13 0.00 0.00 31.29 30.77 3g3c h VAL 17 CO 0.00 0.41 0.16 -0.74 -1.23 0.00 0.00 177.57 176.17 3g3c h HIS 18 N 0.42 0.26 0.00 5.19 6.17 -1.08 0.79 115.15 126.90 3g3c h HIS 18 Ca 0.06 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.17 3g3c h HIS 18 Cb 0.68 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.58 3g3c h HIS 18 CO 0.02 0.01 0.00 0.54 0.71 0.00 0.00 177.93 179.21 3g3c n ARG 19 N -5.08 0.19 -0.65 5.26 1.74 -0.94 -1.27 116.66 115.90 3g3c n ARG 19 Ca 0.08 0.46 0.09 0.00 -0.77 0.00 0.00 57.85 57.70 3g3c n ARG 19 Cb 0.30 -1.89 0.35 0.00 -1.02 0.00 0.00 32.46 30.20 3g3c n ARG 19 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3g3c n LYS 20 N -2.24 3.91 -2.22 5.56 5.02 0.17 -4.96 118.16 123.39 3g3c n LYS 20 Ca 0.02 -2.92 -0.01 0.00 -2.02 0.00 0.00 58.31 53.38 3g3c n LYS 20 Cb 0.20 -1.95 0.01 0.00 -0.02 0.00 0.00 35.03 33.26 3g3c n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g3c n GLY 21 N 0.79 0.53 0.21 0.72 0.00 -0.40 -4.99 105.19 102.05 3g3c n GLY 21 Ca 0.25 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 3g3c n GLY 21 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g3c h PHE 22 N -0.13 0.70 -0.30 1.61 3.57 -1.33 -3.10 116.94 117.96 3g3c h PHE 22 Ca -0.03 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 3g3c h PHE 22 Cb 1.02 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3g3c h PHE 22 CO 0.03 0.62 0.12 -0.07 -2.23 0.00 0.00 178.31 176.79 3g3c h LEU 23 N 0.57 0.37 -0.57 0.59 3.38 -1.86 -0.68 115.31 117.11 3g3c h LEU 23 Ca 0.14 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3g3c h LEU 23 Cb 0.24 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3g3c h LEU 23 CO -0.01 0.34 -0.17 0.11 0.09 0.00 0.00 178.44 178.80 3g3c h LYS 24 N 0.42 0.97 -0.15 1.13 6.56 -1.95 0.16 116.57 123.70 3g3c h LYS 24 Ca 0.11 -0.38 -0.03 0.00 -1.06 0.00 0.00 60.65 59.28 3g3c h LYS 24 Cb 0.08 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 3g3c h LYS 24 CO -0.01 1.05 -0.03 2.35 -2.06 0.00 0.00 179.45 180.75 3g3c h TRP 25 N 0.85 0.32 -0.59 -1.35 7.01 -1.42 -1.60 115.95 119.17 3g3c h TRP 25 Ca 0.12 -0.07 0.08 0.00 2.11 0.00 0.00 58.89 61.13 3g3c h TRP 25 Cb 0.73 -0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 27.65 3g3c h TRP 25 CO 0.05 0.56 0.24 0.35 -2.79 0.00 0.00 178.44 176.85 3g3c h PHE 26 N -0.01 0.43 -0.19 2.65 -0.00 -0.97 0.40 116.94 119.25 3g3c h PHE 26 Ca 0.04 0.03 0.01 0.00 -0.00 0.00 0.00 57.97 58.05 3g3c h PHE 26 Cb 0.45 -0.10 -0.02 0.00 -0.00 0.00 0.00 35.95 36.28 3g3c h PHE 26 CO 0.05 0.14 0.10 0.52 -0.00 0.00 0.00 178.31 179.12 3g3c h MET 27 N 0.44 0.20 -0.15 1.11 2.86 -0.67 -2.51 114.93 116.22 3g3c h MET 27 Ca 0.29 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.76 3g3c h MET 27 Cb 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3g3c h MET 27 CO -0.26 0.13 -0.55 0.93 1.06 0.00 0.00 176.91 178.22 3g3c h GLU 28 N 0.21 0.44 0.02 1.72 5.08 -0.21 -3.20 114.58 118.64 3g3c h GLU 28 Ca 0.08 -0.28 -0.21 0.00 -1.00 0.00 0.00 59.36 57.96 3g3c h GLU 28 Cb 0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3g3c h GLU 28 CO -0.05 0.87 -0.95 1.49 -1.00 0.00 0.00 179.01 179.37 3g3c h GLU 29 N 0.34 0.11 -6.34 2.33 4.57 -0.29 -3.49 114.58 111.81 3g3c h GLU 29 Ca 0.01 -0.15 -0.46 0.00 -1.18 0.00 0.00 59.36 57.57 3g3c h GLU 29 Cb 1.06 0.05 0.02 0.00 -0.16 0.00 0.00 28.75 29.72 3g3c h GLU 29 CO 0.10 0.97 -0.90 1.63 -1.18 0.00 0.00 179.01 179.63 3g3c n LYS 30 N -3.54 -2.62 -2.02 1.92 5.02 -0.95 -4.98 118.16 110.99 3g3c n LYS 30 Ca -0.03 0.45 -0.32 0.00 -2.02 0.00 0.00 58.31 56.39 3g3c n LYS 30 Cb 0.87 -4.42 0.00 0.00 -0.02 0.00 0.00 35.03 31.46 3g3c n LYS 30 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3g3c s PRO 31 N -6.26 3.53 0.14 1.97 0.04 -1.26 -4.97 135.00 128.19 3g3c s PRO 31 Ca 0.20 0.95 0.12 0.00 0.04 0.00 0.00 61.00 62.31 3g3c s PRO 31 Cb -0.07 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 3g3c s PRO 31 CO 0.87 -0.62 1.18 -0.44 0.04 0.00 0.00 177.00 178.02 3g3c h ASP 32 N 0.17 0.00 -3.46 6.66 3.32 -1.14 -3.44 116.42 118.53 3g3c h ASP 32 Ca -0.45 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.32 3g3c h ASP 32 Cb 1.20 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.42 3g3c h ASP 32 CO 0.60 0.76 -0.66 -0.63 -1.72 0.00 0.00 179.24 177.59 3g3c s ILE 33 N -2.82 -0.06 -0.13 0.35 1.01 -0.78 -0.62 121.20 118.15 3g3c s ILE 33 Ca 0.01 0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.84 3g3c s ILE 33 Cb 0.09 -0.17 -0.03 0.00 0.01 0.00 0.00 42.46 42.36 3g3c s ILE 33 CO 0.79 0.09 -0.03 -0.22 0.00 0.00 0.00 174.94 175.57 3g3c s LEU 34 N 1.18 3.30 -0.14 2.97 0.20 0.12 -1.36 118.68 124.96 3g3c s LEU 34 Ca -0.08 -0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.67 3g3c s LEU 34 Cb -0.12 -1.78 -0.01 0.00 -0.43 0.00 0.00 46.19 43.85 3g3c s LEU 34 CO -0.05 0.23 -0.14 0.00 -0.29 0.00 0.00 176.35 176.11 3g3c s LEU 36 N 0.52 2.05 0.21 0.00 1.43 0.10 -0.65 118.68 122.34 3g3c s LEU 36 Ca -0.09 -0.44 0.11 0.00 -1.03 0.00 0.00 54.13 52.68 3g3c s LEU 36 Cb -0.16 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 3g3c s LEU 36 CO 0.04 0.29 -0.21 -1.10 0.23 0.00 0.00 176.35 175.60 3g3c s GLN 37 N -0.54 1.48 -1.27 1.70 1.11 0.30 -0.46 119.66 121.99 3g3c s GLN 37 Ca 0.08 -1.56 -0.00 0.00 0.01 0.00 0.00 55.36 53.89 3g3c s GLN 37 Cb -0.10 -1.65 0.00 0.00 -1.01 0.00 0.00 33.01 30.26 3g3c s GLN 37 CO -0.01 0.33 0.83 0.39 0.01 0.00 0.00 175.29 176.84 3g3c n GLU 38 N 0.00 -5.63 0.22 2.91 1.02 0.01 -2.04 120.64 117.13 3g3c n GLU 38 Ca -0.10 0.71 0.08 0.00 -0.02 0.00 0.00 57.16 57.82 3g3c n GLU 38 Cb 0.58 -5.46 0.52 0.00 -0.02 0.00 0.00 31.44 27.05 3g3c n GLU 38 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3g3c h ILE 39 N -1.90 0.87 -6.03 -3.67 3.07 -0.97 0.84 117.51 109.73 3g3c h ILE 39 Ca -0.60 -0.95 -0.43 0.00 1.55 0.00 0.00 64.86 64.43 3g3c h ILE 39 Cb 1.35 1.56 0.07 0.00 -0.27 0.00 0.00 36.82 39.53 3g3c h ILE 39 CO 0.54 0.24 -0.73 0.29 -1.05 0.00 0.00 178.15 177.44 3g3c n LYS 40 N -3.80 -6.74 -3.46 0.16 5.02 0.50 -0.80 118.16 109.03 3g3c n LYS 40 Ca -0.02 0.73 -0.12 0.00 -2.02 0.00 0.00 58.31 56.88 3g3c n LYS 40 Cb 0.34 -5.69 -0.03 0.00 -0.02 0.00 0.00 35.03 29.64 3g3c n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g3c s ALA 41 N -3.34 -1.68 -0.04 7.82 0.00 -1.26 -4.50 121.76 118.76 3g3c s ALA 41 Ca 0.54 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 53.22 3g3c s ALA 41 Cb -0.25 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3g3c s ALA 41 CO 0.77 -0.67 0.17 0.00 0.00 0.00 0.00 175.76 176.04 3g3c s ALA 42 N -3.11 3.93 0.42 0.00 0.00 -1.26 -4.59 121.76 117.15 3g3c s ALA 42 Ca -0.00 -0.71 0.23 0.00 0.00 0.00 0.00 51.96 51.47 3g3c s ALA 42 Cb -0.01 -1.92 1.23 0.00 0.00 0.00 0.00 23.12 22.42 3g3c s ALA 42 CO -0.08 0.70 1.73 -1.35 0.00 0.00 0.00 175.76 176.77 3g3c h PRO 43 N 4.18 0.27 0.00 0.00 0.11 -1.96 0.31 132.00 134.91 3g3c h PRO 43 Ca -0.51 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3g3c h PRO 43 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3g3c h PRO 43 CO 0.65 0.18 -0.13 0.93 -0.21 0.00 0.00 178.00 179.42 3g3c h GLU 44 N 0.27 0.00 0.00 1.05 3.07 -2.01 -2.57 114.58 114.39 3g3c h GLU 44 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 3g3c h GLU 44 Cb 1.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.78 3g3c h GLU 44 CO -0.31 0.13 -0.23 1.04 -1.40 0.00 0.00 179.01 178.24 3g3c n GLN 45 N -4.26 0.21 -3.05 2.33 6.02 0.11 -4.87 117.38 113.87 3g3c n GLN 45 Ca -0.03 0.12 -0.39 0.00 -0.01 0.00 0.00 57.00 56.70 3g3c n GLN 45 Cb 0.20 -1.70 -0.06 0.00 1.02 0.00 0.00 30.24 29.71 3g3c n GLN 45 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3g3c s LEU 46 N -4.07 4.54 0.51 1.08 1.43 -0.97 -5.01 118.68 116.20 3g3c s LEU 46 Ca 0.10 1.55 -0.22 0.00 -1.03 0.00 0.00 54.13 54.52 3g3c s LEU 46 Cb 0.14 -3.27 -0.07 0.00 0.03 0.00 0.00 46.19 43.02 3g3c s LEU 46 CO 0.63 0.19 1.18 -2.65 0.23 0.00 0.00 176.35 175.93 3g3c n PRO 47 N 1.47 1.49 -0.08 1.29 -0.02 -1.26 -4.77 135.00 133.12 3g3c n PRO 47 Ca -0.06 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 62.05 3g3c n PRO 47 Cb 0.49 -2.33 0.46 0.00 -0.02 0.00 0.00 33.50 32.10 3g3c n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g3c h ARG 48 N 1.36 0.49 0.00 -0.52 3.08 -1.96 -0.65 114.38 116.18 3g3c h ARG 48 Ca -0.48 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 3g3c h ARG 48 Cb 1.32 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 3g3c h ARG 48 CO 0.56 0.32 -0.06 0.87 -1.07 0.00 0.00 179.97 180.59 3g3c h LYS 49 N 0.50 0.00 0.10 0.04 1.79 -1.91 -2.48 116.57 114.61 3g3c h LYS 49 Ca 0.25 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.38 3g3c h LYS 49 Cb 0.33 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 3g3c h LYS 49 CO -0.07 0.06 -1.87 1.28 -1.08 0.00 0.00 179.45 177.77 3g3c n LEU 50 N -3.44 2.49 -0.32 2.94 4.77 -0.31 -4.34 117.00 118.79 3g3c n LEU 50 Ca -0.02 0.25 0.07 0.00 -0.03 0.00 0.00 56.01 56.28 3g3c n LEU 50 Cb 0.19 -1.08 0.28 0.00 -2.33 0.00 0.00 43.42 40.47 3g3c n LEU 50 CO 0.27 0.74 1.24 0.03 -1.33 0.00 0.00 177.39 178.34 3g3c h ARG 51 N -0.15 0.90 -4.21 3.23 3.08 -1.15 -3.41 114.38 112.66 3g3c h ARG 51 Ca -0.42 -0.05 -0.34 0.00 0.07 0.00 0.00 59.98 59.24 3g3c h ARG 51 Cb 1.88 -0.20 -0.30 0.00 0.08 0.00 0.00 29.97 31.43 3g3c h ARG 51 CO 0.02 0.60 -0.76 -1.58 -1.07 0.00 0.00 179.97 177.18 3g3c s HIS 52 N -5.86 0.49 -0.04 3.04 5.04 -0.96 -4.73 115.29 112.27 3g3c s HIS 52 Ca -0.11 -0.10 0.04 0.00 -1.54 0.00 0.00 55.06 53.35 3g3c s HIS 52 Cb 0.21 -0.36 -0.00 0.00 0.04 0.00 0.00 32.58 32.47 3g3c s HIS 52 CO 0.80 -0.04 -0.15 0.08 -2.34 0.00 0.00 174.74 173.09 3g3c s VAL 53 N 0.13 1.24 -0.25 0.89 1.01 -1.26 -4.58 120.40 117.58 3g3c s VAL 53 Ca -0.01 -0.61 -0.35 0.00 0.00 0.00 0.00 61.98 61.01 3g3c s VAL 53 Cb -0.05 -1.08 -0.11 0.00 0.00 0.00 0.00 36.38 35.14 3g3c s VAL 53 CO -0.00 0.37 2.05 1.21 0.00 0.00 0.00 175.10 178.72 3g3c n GLU 54 N 3.24 1.52 0.00 2.72 2.13 -1.26 -1.27 120.64 127.72 3g3c n GLU 54 Ca -0.18 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.12 3g3c n GLU 54 Cb 0.53 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.68 3g3c n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3g3c n GLY 55 N 5.52 0.76 3.42 8.31 0.00 -1.26 -5.07 105.19 116.88 3g3c n GLY 55 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 3g3c n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3c s TYR 56 N -2.17 2.45 -0.22 1.61 2.02 -0.40 -4.56 117.35 116.08 3g3c s TYR 56 Ca 0.00 -0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 56.28 3g3c s TYR 56 Cb 0.00 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 40.12 3g3c s TYR 56 CO 0.00 0.25 0.12 0.50 -1.57 0.00 0.00 175.55 174.85 3g3c s ARG 57 N -1.58 4.06 -0.03 -0.62 3.52 -0.51 -4.43 118.95 119.37 3g3c s ARG 57 Ca 0.14 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.47 3g3c s ARG 57 Cb -0.10 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 3g3c s ARG 57 CO 0.05 0.17 -0.02 -1.54 -0.81 0.00 0.00 175.30 173.14 3g3c s SER 58 N 0.73 4.98 -0.03 -2.12 1.04 -1.26 -1.70 113.70 115.34 3g3c s SER 58 Ca 0.07 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.51 3g3c s SER 58 Cb -0.13 -1.29 0.01 0.00 0.10 0.00 0.00 66.02 64.71 3g3c s SER 58 CO 0.02 0.31 -0.07 -0.36 0.98 0.00 0.00 173.24 174.12 3g3c s PHE 59 N -0.99 0.83 -0.06 5.02 0.40 -0.20 -5.01 117.98 117.98 3g3c s PHE 59 Ca 0.17 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.32 3g3c s PHE 59 Cb -0.11 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.79 3g3c s PHE 59 CO 0.07 -0.12 -0.15 -0.06 0.70 0.00 0.00 175.22 175.66 3g3c s PHE 60 N 0.38 1.61 -0.54 0.36 0.40 -1.26 -1.13 117.98 117.80 3g3c s PHE 60 Ca -0.06 -0.53 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 3g3c s PHE 60 Cb -0.10 -1.12 0.15 0.00 0.51 0.00 0.00 43.02 42.46 3g3c s PHE 60 CO 0.00 -0.23 0.35 0.99 0.70 0.00 0.00 175.22 177.03 3g3c s THR 61 N 0.33 1.93 0.49 0.64 2.01 -0.24 -5.02 115.64 115.78 3g3c s THR 61 Ca -0.09 -3.28 -0.14 0.00 0.31 0.00 0.00 61.69 58.48 3g3c s THR 61 Cb -0.13 -2.31 -0.07 0.00 0.01 0.00 0.00 72.50 70.00 3g3c s THR 61 CO 0.03 -0.97 0.93 -2.16 -0.69 0.00 0.00 174.62 171.75 3g3c s PRO 62 N -0.42 3.87 0.58 4.92 0.04 -1.26 -1.87 135.00 140.86 3g3c s PRO 62 Ca 0.22 0.80 -0.18 0.00 0.04 0.00 0.00 61.00 61.88 3g3c s PRO 62 Cb -0.13 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 3g3c s PRO 62 CO -0.09 -0.22 1.14 0.00 0.04 0.00 0.00 177.00 177.87 3g3c s ALA 63 N -2.59 2.61 0.14 8.56 0.00 -1.25 -4.10 121.76 125.12 3g3c s ALA 63 Ca 0.56 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 3g3c s ALA 63 Cb -0.10 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3g3c s ALA 63 CO 0.33 -0.96 1.76 0.93 0.00 0.00 0.00 175.76 177.82 3g3c h GLU 64 N 0.89 0.24 -6.46 0.00 5.08 -1.76 -3.40 114.58 109.16 3g3c h GLU 64 Ca -0.49 -0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.32 3g3c h GLU 64 Cb 1.27 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.48 3g3c h GLU 64 CO 0.56 0.16 0.98 0.50 -1.00 0.00 0.00 179.01 180.21 3g3c s ARG 65 N -6.17 4.20 0.18 2.33 3.52 -1.26 -4.93 118.95 116.82 3g3c s ARG 65 Ca -0.13 2.33 -0.30 0.00 -0.13 0.00 0.00 55.73 57.50 3g3c s ARG 65 Cb 0.10 -3.55 -0.08 0.00 -1.56 0.00 0.00 34.95 29.86 3g3c s ARG 65 CO 0.70 -0.72 1.10 0.21 -0.81 0.00 0.00 175.30 175.78 3g3c s LYS 66 N 2.47 4.60 -0.78 5.12 2.20 -1.26 -3.40 119.74 128.69 3g3c s LYS 66 Ca 0.73 1.71 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 3g3c s LYS 66 Cb -0.40 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3g3c s LYS 66 CO 0.32 0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.80 3g3c n GLY 67 N 2.04 0.89 3.19 5.54 0.00 -1.26 -5.02 105.19 110.56 3g3c n GLY 67 Ca 0.03 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 3g3c n GLY 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g3c s TYR 68 N -2.28 1.47 0.00 1.61 5.04 -1.22 -4.73 117.35 117.24 3g3c s TYR 68 Ca 0.00 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 3g3c s TYR 68 Cb 0.00 -0.88 0.00 0.00 0.35 0.00 0.00 41.96 41.43 3g3c s TYR 68 CO 0.00 0.06 0.00 0.45 -1.34 0.00 0.00 175.55 174.72 3g3c n SER 69 N 1.92 0.00 0.00 4.32 2.88 -1.26 -3.91 113.62 117.56 3g3c n SER 69 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 3g3c n SER 69 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 3g3c n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g3c n GLY 70 N 0.00 -0.75 3.40 0.46 0.00 -0.92 -0.37 105.19 107.01 3g3c n GLY 70 Ca 0.00 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 3g3c n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g3c s VAL 71 N -1.01 2.13 0.03 1.61 -7.23 -0.78 -0.81 120.40 114.33 3g3c s VAL 71 Ca 0.00 -2.20 -0.05 0.00 -1.81 0.00 0.00 61.98 57.92 3g3c s VAL 71 Cb 0.00 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 3g3c s VAL 71 CO 0.00 -0.39 0.08 0.00 -0.31 0.00 0.00 175.10 174.48 3g3c s ALA 72 N -2.41 -0.07 -0.03 1.32 0.00 0.39 -1.08 121.76 119.90 3g3c s ALA 72 Ca 0.24 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3g3c s ALA 72 Cb -0.04 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.32 3g3c s ALA 72 CO 0.10 -0.28 0.02 1.41 0.00 0.00 0.00 175.76 177.01 3g3c s MET 73 N -2.28 0.10 -0.11 0.00 1.75 -0.28 0.02 119.30 118.48 3g3c s MET 73 Ca -0.08 0.16 -0.01 0.00 -1.25 0.00 0.00 55.69 54.50 3g3c s MET 73 Cb -0.03 -0.37 -0.03 0.00 2.84 0.00 0.00 34.83 37.25 3g3c s MET 73 CO -0.03 -0.17 -0.06 0.71 -0.65 0.00 0.00 175.02 174.82 3g3c s TYR 74 N 1.14 2.98 -0.04 4.11 1.51 -0.34 -1.03 117.35 125.68 3g3c s TYR 74 Ca -0.08 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 55.77 3g3c s TYR 74 Cb -0.13 -1.84 0.02 0.00 -0.11 0.00 0.00 41.96 39.89 3g3c s TYR 74 CO -0.03 0.12 0.10 -0.08 -1.11 0.00 0.00 175.55 174.56 3g3c s THR 75 N -0.17 -0.01 -0.15 -0.71 -1.32 -0.69 0.12 115.64 112.72 3g3c s THR 75 Ca 0.02 0.04 0.16 0.00 -1.21 0.00 0.00 61.69 60.71 3g3c s THR 75 Cb -0.13 -0.15 -0.01 0.00 -1.51 0.00 0.00 72.50 70.69 3g3c s THR 75 CO 0.03 0.02 1.21 0.11 -2.21 0.00 0.00 174.62 173.77 3g3c h LYS 76 N 6.28 0.00 -5.40 7.08 1.57 -1.11 -1.35 116.57 123.64 3g3c h LYS 76 Ca -0.29 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.87 3g3c h LYS 76 Cb 1.19 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 3g3c h LYS 76 CO 0.45 0.41 -0.54 0.14 -0.57 0.00 0.00 179.45 179.33 3g3c s VAL 77 N -2.96 4.96 0.15 0.50 -7.23 -1.26 -4.94 120.40 109.62 3g3c s VAL 77 Ca 0.01 0.02 -0.26 0.00 -1.81 0.00 0.00 61.98 59.95 3g3c s VAL 77 Cb 0.08 -3.22 -0.08 0.00 0.56 0.00 0.00 36.38 33.73 3g3c s VAL 77 CO 0.77 0.49 0.79 -2.16 -0.31 0.00 0.00 175.10 174.68 3g3c s PRO 78 N 0.05 4.58 0.40 4.82 0.04 -1.26 -5.00 135.00 138.63 3g3c s PRO 78 Ca 0.07 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.22 3g3c s PRO 78 Cb -0.12 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 3g3c s PRO 78 CO 0.00 0.53 0.70 -1.25 0.04 0.00 0.00 177.00 177.03 3g3c s PRO 79 N -1.01 3.61 0.37 0.56 0.04 -1.26 -4.96 135.00 132.36 3g3c s PRO 79 Ca 0.36 0.16 0.19 0.00 0.04 0.00 0.00 61.00 61.75 3g3c s PRO 79 Cb -0.23 -2.48 0.59 0.00 0.04 0.00 0.00 34.50 32.42 3g3c s PRO 79 CO 0.26 -0.02 1.69 0.77 0.04 0.00 0.00 177.00 179.73 3g3c h SER 80 N 0.88 0.00 -5.00 6.66 0.02 -1.31 -3.48 113.55 111.32 3g3c h SER 80 Ca -0.48 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.50 3g3c h SER 80 Cb 1.20 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.65 3g3c h SER 80 CO 0.63 0.36 0.22 -0.55 -1.14 0.00 0.00 176.83 176.35 3g3c s SER 81 N -6.36 -0.41 -0.39 3.07 0.15 -1.26 -4.97 113.70 103.53 3g3c s SER 81 Ca 0.01 -0.31 0.05 0.00 0.70 0.00 0.00 55.95 56.40 3g3c s SER 81 Cb 0.10 0.67 0.16 0.00 -1.71 0.00 0.00 66.02 65.24 3g3c s SER 81 CO 0.69 -1.16 0.47 -0.22 1.20 0.00 0.00 173.24 174.21 3g3c s LEU 82 N -2.84 -0.55 0.30 3.45 1.98 -1.25 -2.57 118.68 117.20 3g3c s LEU 82 Ca 0.06 -1.36 -0.28 0.00 -2.89 0.00 0.00 54.13 49.66 3g3c s LEU 82 Cb -0.04 1.04 -0.09 0.00 0.66 0.00 0.00 46.19 47.76 3g3c s LEU 82 CO -0.03 -0.22 0.99 -0.60 -1.89 0.00 0.00 176.35 174.60 3g3c s ARG 83 N 1.52 4.62 0.00 1.98 3.52 -0.50 -4.88 118.95 125.21 3g3c s ARG 83 Ca 0.17 1.51 0.04 0.00 -0.13 0.00 0.00 55.73 57.32 3g3c s ARG 83 Cb -0.11 -3.00 0.10 0.00 -1.56 0.00 0.00 34.95 30.38 3g3c s ARG 83 CO -0.04 0.28 1.06 0.39 -0.81 0.00 0.00 175.30 176.18 3g3c n GLU 84 N 0.90 2.74 -3.72 5.12 1.02 -1.26 -0.75 120.64 124.69 3g3c n GLU 84 Ca 0.00 -1.62 -0.05 0.00 -0.02 0.00 0.00 57.16 55.47 3g3c n GLU 84 Cb 0.48 -1.09 -0.02 0.00 -0.02 0.00 0.00 31.44 30.79 3g3c n GLU 84 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3g3c s GLY 85 N -0.96 -0.26 0.19 0.62 0.00 -1.26 -4.46 107.32 101.20 3g3c s GLY 85 Ca 0.08 0.19 0.25 0.00 0.00 0.00 0.00 44.72 45.24 3g3c s GLY 85 CO 0.05 0.04 1.55 0.74 0.00 0.00 0.00 173.10 175.48 3g3c h PHE 86 N 2.00 0.00 0.00 1.90 0.04 -1.96 -3.47 116.94 115.45 3g3c h PHE 86 Ca -0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.54 3g3c h PHE 86 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3g3c h PHE 86 CO 0.36 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.48 3g3c n GLY 87 N 1.30 1.00 3.23 -1.45 0.00 -1.26 -5.05 105.19 102.96 3g3c n GLY 87 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3g3c n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g3c s VAL 88 N -2.00 2.98 0.19 1.61 1.01 -1.26 -5.04 120.40 117.90 3g3c s VAL 88 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 3g3c s VAL 88 Cb 0.00 -2.46 0.15 0.00 0.00 0.00 0.00 36.38 34.08 3g3c s VAL 88 CO 0.00 0.28 1.60 -0.08 0.00 0.00 0.00 175.10 176.89 3g3c h GLU 89 N 8.04 -0.13 0.00 2.72 4.22 -1.98 -1.16 114.58 126.30 3g3c h GLU 89 Ca -0.36 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.05 3g3c h GLU 89 Cb 1.12 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3g3c h GLU 89 CO 0.59 -0.08 -0.20 0.07 -2.18 0.00 0.00 179.01 177.20 3g3c h ARG 90 N -0.13 0.00 0.00 1.92 0.11 -2.00 -2.75 114.38 111.54 3g3c h ARG 90 Ca 0.25 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.11 3g3c h ARG 90 Cb 0.53 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.58 3g3c h ARG 90 CO -0.66 0.20 -1.31 0.74 0.10 0.00 0.00 179.97 179.04 3g3c h PHE 91 N 0.00 0.00 0.00 4.08 0.05 -1.69 -3.37 116.94 116.02 3g3c h PHE 91 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3g3c h PHE 91 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.42 3g3c h PHE 91 CO 0.00 0.83 -0.25 -0.44 -0.18 0.00 0.00 178.31 178.27 3g3c h ASP 92 N 0.00 0.00 -0.50 2.17 3.32 -1.03 -3.33 116.42 117.04 3g3c h ASP 92 Ca -0.15 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3g3c h ASP 92 Cb 1.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.32 3g3c h ASP 92 CO 0.08 0.02 0.00 0.35 -1.72 0.00 0.00 179.24 177.97 3g3c n THR 93 N -2.51 1.21 0.12 0.35 -2.24 -1.09 -3.99 114.28 106.12 3g3c n THR 93 Ca 0.04 -0.84 0.05 0.00 -2.27 0.00 0.00 64.05 61.02 3g3c n THR 93 Cb 0.47 0.11 0.08 0.00 -2.10 0.00 0.00 70.33 68.90 3g3c n THR 93 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g3c n GLU 94 N 0.87 1.58 -3.52 -0.78 1.02 -1.25 -2.28 120.64 116.28 3g3c n GLU 94 Ca 0.19 -1.49 -0.21 0.00 -0.02 0.00 0.00 57.16 55.62 3g3c n GLU 94 Cb 0.64 -1.20 0.05 0.00 -0.02 0.00 0.00 31.44 30.92 3g3c n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3c n GLY 95 N 0.41 -0.75 0.04 0.62 0.00 -1.26 -3.78 105.19 100.48 3g3c n GLY 95 Ca 0.07 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.45 3g3c n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3c n ARG 96 N -3.91 2.12 -4.50 1.61 1.74 -1.26 -2.17 116.66 110.29 3g3c n ARG 96 Ca -0.18 -0.36 -0.25 0.00 -0.77 0.00 0.00 57.85 56.29 3g3c n ARG 96 Cb 0.64 -0.85 -0.17 0.00 -1.02 0.00 0.00 32.46 31.06 3g3c n ARG 96 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g3c s ILE 97 N -0.54 1.15 -0.10 0.55 1.01 -1.26 -0.94 121.20 121.07 3g3c s ILE 97 Ca 0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 3g3c s ILE 97 Cb 0.01 -1.07 0.05 0.00 0.01 0.00 0.00 42.46 41.47 3g3c s ILE 97 CO 0.04 0.36 0.10 -1.10 0.00 0.00 0.00 174.94 174.34 3g3c s GLN 98 N 0.81 0.01 -0.25 2.79 -0.21 -0.61 -4.45 119.66 117.74 3g3c s GLN 98 Ca -0.12 0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.52 3g3c s GLN 98 Cb -0.15 -0.94 0.04 0.00 1.00 0.00 0.00 33.01 32.96 3g3c s GLN 98 CO 0.02 -0.46 -0.10 0.42 -2.12 0.00 0.00 175.29 173.05 3g3c s ILE 99 N 2.19 2.43 -0.19 1.08 1.01 0.08 -0.61 121.20 127.19 3g3c s ILE 99 Ca 0.04 -1.33 -0.01 0.00 0.00 0.00 0.00 60.65 59.35 3g3c s ILE 99 Cb -0.14 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.03 3g3c s ILE 99 CO -0.06 0.12 -0.13 0.00 0.00 0.00 0.00 174.94 174.87 3g3c s ALA 100 N 1.21 2.56 -0.25 9.38 0.00 -0.21 -1.40 121.76 133.05 3g3c s ALA 100 Ca -0.04 -1.17 -0.27 0.00 0.00 0.00 0.00 51.96 50.49 3g3c s ALA 100 Cb -0.18 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3g3c s ALA 100 CO -0.06 -0.32 0.95 0.34 0.00 0.00 0.00 175.76 176.67 3g3c s ASP 101 N 1.28 6.95 -0.19 0.00 -1.08 -1.06 -0.48 116.67 122.09 3g3c s ASP 101 Ca 0.03 1.16 0.15 0.00 -0.52 0.00 0.00 52.55 53.37 3g3c s ASP 101 Cb -0.14 -2.49 0.40 0.00 -1.46 0.00 0.00 42.92 39.23 3g3c s ASP 101 CO -0.07 -0.64 1.27 0.49 0.52 0.00 0.00 175.17 176.75 3g3c n PHE 102 N 6.27 0.37 0.00 -5.34 3.01 -0.56 -0.72 117.46 120.49 3g3c n PHE 102 Ca 0.09 -1.19 0.00 0.00 1.01 0.00 0.00 57.45 57.36 3g3c n PHE 102 Cb 0.47 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 3g3c n PHE 102 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3g3c n ASP 103 N -1.13 0.00 -0.32 4.37 9.92 -1.26 -4.13 116.55 123.99 3g3c n ASP 103 Ca 0.21 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.54 3g3c n ASP 103 Cb 0.77 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 41.53 3g3c n ASP 103 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3g3c h ASP 104 N 0.00 0.85 -4.89 -2.24 5.19 -1.96 -3.44 116.42 109.93 3g3c h ASP 104 Ca 0.00 0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.35 3g3c h ASP 104 Cb 0.00 -0.14 -0.20 0.00 0.18 0.00 0.00 39.33 39.17 3g3c h ASP 104 CO 0.00 0.47 -0.11 0.72 -3.12 0.00 0.00 179.24 177.20 3g3c s PHE 105 N -5.87 -0.38 0.01 4.55 -0.71 -1.26 -4.31 117.98 110.02 3g3c s PHE 105 Ca -0.11 0.65 -0.23 0.00 -1.04 0.00 0.00 56.93 56.20 3g3c s PHE 105 Cb 0.22 0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 42.19 3g3c s PHE 105 CO 0.80 -0.45 0.68 -0.51 -1.34 0.00 0.00 175.22 174.40 3g3c s LEU 106 N -1.14 4.42 -0.28 -1.99 1.43 -0.16 -1.50 118.68 119.46 3g3c s LEU 106 Ca -0.11 1.29 -0.09 0.00 -1.03 0.00 0.00 54.13 54.18 3g3c s LEU 106 Cb -0.03 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 3g3c s LEU 106 CO 0.06 0.04 0.14 -0.22 0.23 0.00 0.00 176.35 176.60 3g3c s LEU 107 N -0.04 3.84 -0.32 1.79 2.96 0.37 -0.91 118.68 126.37 3g3c s LEU 107 Ca 0.35 -0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 53.90 3g3c s LEU 107 Cb -0.19 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 3g3c s LEU 107 CO 0.20 -0.08 0.42 -0.31 -1.32 0.00 0.00 176.35 175.26 3g3c s TYR 108 N 1.68 3.22 -0.39 5.38 1.51 0.21 -1.04 117.35 127.91 3g3c s TYR 108 Ca 0.06 0.21 -0.06 0.00 -1.01 0.00 0.00 57.07 56.28 3g3c s TYR 108 Cb -0.16 -2.72 0.08 0.00 -0.11 0.00 0.00 41.96 39.05 3g3c s TYR 108 CO 0.07 -0.39 0.19 1.21 -1.11 0.00 0.00 175.55 175.52 3g3c s ASN 109 N 1.70 5.37 -0.06 2.29 2.47 0.22 -0.07 114.94 126.87 3g3c s ASN 109 Ca 0.15 -1.59 0.04 0.00 0.42 0.00 0.00 52.86 51.88 3g3c s ASN 109 Cb -0.16 -1.88 0.00 0.00 -1.45 0.00 0.00 41.25 37.76 3g3c s ASN 109 CO 0.11 -0.48 -0.18 -0.63 -3.72 0.00 0.00 177.10 172.21 3g3c s ILE 110 N 1.31 1.51 -0.52 -5.21 -1.09 -0.58 -1.58 121.20 115.04 3g3c s ILE 110 Ca 0.03 -0.73 -0.13 0.00 -2.23 0.00 0.00 60.65 57.59 3g3c s ILE 110 Cb -0.22 -1.31 0.13 0.00 -1.58 0.00 0.00 42.46 39.47 3g3c s ILE 110 CO -0.00 0.43 0.44 -0.47 -1.23 0.00 0.00 174.94 174.11 3g3c s TYR 111 N 0.26 3.35 0.37 3.97 5.04 -0.12 -2.72 117.35 127.49 3g3c s TYR 111 Ca -0.10 -1.59 -0.26 0.00 -2.44 0.00 0.00 57.07 52.68 3g3c s TYR 111 Cb -0.14 -3.66 -0.09 0.00 0.35 0.00 0.00 41.96 38.42 3g3c s TYR 111 CO 0.04 -1.01 1.16 -0.06 -1.34 0.00 0.00 175.55 174.34 3g3c s PHE 112 N 1.42 3.18 0.52 4.97 0.40 -0.58 -4.74 117.98 123.16 3g3c s PHE 112 Ca 0.05 1.58 -0.22 0.00 -0.60 0.00 0.00 56.93 57.73 3g3c s PHE 112 Cb -0.28 -3.37 -0.06 0.00 0.51 0.00 0.00 43.02 39.82 3g3c s PHE 112 CO 0.01 -1.16 1.26 -2.30 0.70 0.00 0.00 175.22 173.73 3g3c n PRO 113 N 0.34 1.60 -3.33 0.24 -0.02 -1.26 -4.69 135.00 127.88 3g3c n PRO 113 Ca 0.03 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 3g3c n PRO 113 Cb 0.46 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 3g3c n PRO 113 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3g3c s ASN 114 N -0.87 6.59 0.13 2.55 3.04 -1.26 -4.82 114.94 120.30 3g3c s ASN 114 Ca 0.70 0.70 0.24 0.00 0.04 0.00 0.00 52.86 54.53 3g3c s ASN 114 Cb -0.44 -2.27 0.25 0.00 -1.54 0.00 0.00 41.25 37.25 3g3c s ASN 114 CO 0.51 -0.05 1.24 1.23 -3.04 0.00 0.00 177.10 176.99 3g3c h GLY 115 N 7.19 0.00 0.58 1.21 0.00 -1.90 -3.40 103.07 106.75 3g3c h GLY 115 Ca -0.38 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.14 3g3c h GLY 115 CO 0.75 0.00 0.52 0.50 0.00 0.00 0.00 176.54 178.30 3g3c h LYS 116 N 0.00 0.16 0.03 4.80 1.57 -1.94 -3.21 116.57 117.99 3g3c h LYS 116 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3g3c h LYS 116 Cb 0.79 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3g3c h LYS 116 CO 0.00 0.11 -0.02 1.98 -0.57 0.00 0.00 179.45 180.95 3g3c h MET 117 N 0.17 -0.04 -3.26 3.15 4.05 -1.99 -3.47 114.93 113.54 3g3c h MET 117 Ca 0.36 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.75 3g3c h MET 117 Cb 1.18 0.01 -0.12 0.00 -0.80 0.00 0.00 31.60 31.88 3g3c h MET 117 CO -0.06 0.24 0.03 -1.54 0.23 0.00 0.00 176.91 175.81 3g3c s SER 118 N -5.43 -0.33 0.53 1.39 1.04 -1.21 -5.01 113.70 104.67 3g3c s SER 118 Ca -0.15 -0.27 0.28 0.00 0.48 0.00 0.00 55.95 56.29 3g3c s SER 118 Cb 0.03 0.54 1.50 0.00 0.10 0.00 0.00 66.02 68.19 3g3c s SER 118 CO 0.66 -0.94 2.10 -0.33 0.98 0.00 0.00 173.24 175.71 3g3c h GLU 119 N 2.22 0.00 -0.53 4.02 5.08 -1.91 -1.70 114.58 121.77 3g3c h GLU 119 Ca -0.33 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 3g3c h GLU 119 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 3g3c h GLU 119 CO 0.42 0.10 -0.14 1.49 -1.00 0.00 0.00 179.01 179.88 3g3c h GLU 120 N 0.00 1.03 0.00 2.33 4.22 -1.95 -2.89 114.58 117.33 3g3c h GLU 120 Ca -0.00 -0.40 -0.19 0.00 0.08 0.00 0.00 59.36 58.85 3g3c h GLU 120 Cb 0.29 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3g3c h GLU 120 CO 0.01 1.09 -0.91 0.00 -2.18 0.00 0.00 179.01 177.02 3g3c h ARG 121 N 0.91 0.00 -0.66 1.92 2.47 -1.77 -3.24 114.38 114.01 3g3c h ARG 121 Ca 0.13 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 3g3c h ARG 121 Cb 0.71 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.00 3g3c h ARG 121 CO 0.05 0.85 0.38 1.25 0.56 0.00 0.00 179.97 183.07 3g3c h LEU 122 N 0.00 0.80 -0.41 3.04 5.85 -1.26 -1.73 115.31 121.60 3g3c h LEU 122 Ca -0.02 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3g3c h LEU 122 Cb 1.68 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 3g3c h LEU 122 CO 0.11 0.64 0.22 0.50 -0.34 0.00 0.00 178.44 179.57 3g3c h LYS 123 N 0.92 0.43 -0.62 1.25 1.63 -1.53 -2.62 116.57 116.03 3g3c h LYS 123 Ca 0.24 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.04 3g3c h LYS 123 Cb -0.00 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 3g3c h LYS 123 CO -0.04 0.29 0.38 -0.92 -3.45 0.00 0.00 179.45 175.71 3g3c h TYR 124 N 0.45 0.71 0.09 1.91 3.20 -1.45 -2.12 116.97 119.76 3g3c h TYR 124 Ca 0.17 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3g3c h TYR 124 Cb 0.05 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 3g3c h TYR 124 CO -0.09 0.40 -0.20 -0.22 -1.64 0.00 0.00 178.16 176.41 3g3c h LYS 125 N 0.74 -0.36 -0.08 1.82 3.64 -1.03 0.16 116.57 121.47 3g3c h LYS 125 Ca 0.25 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 3g3c h LYS 125 Cb 0.03 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3g3c h LYS 125 CO -0.11 -0.24 -0.27 -0.07 -2.27 0.00 0.00 179.45 176.49 3g3c h LEU 126 N -0.37 0.14 -0.24 5.20 3.38 -1.28 -0.19 115.31 121.94 3g3c h LEU 126 Ca 0.03 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3g3c h LEU 126 Cb 0.40 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3g3c h LEU 126 CO -0.12 0.41 -0.73 -0.33 0.09 0.00 0.00 178.44 177.76 3g3c h GLU 127 N 0.13 0.00 0.06 1.13 5.08 -1.12 -2.35 114.58 117.51 3g3c h GLU 127 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3g3c h GLU 127 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3g3c h GLU 127 CO 0.04 0.73 -0.03 0.35 -1.00 0.00 0.00 179.01 179.10 3g3c h PHE 128 N 0.00 -0.08 -0.60 4.33 3.57 0.27 -1.39 116.94 123.04 3g3c h PHE 128 Ca -0.01 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.61 3g3c h PHE 128 Cb 1.45 0.03 -0.11 0.00 2.79 0.00 0.00 35.95 40.11 3g3c h PHE 128 CO 0.00 0.11 -0.09 1.88 -2.23 0.00 0.00 178.31 177.98 3g3c h TYR 129 N -0.25 -0.21 0.02 0.41 0.99 -1.00 0.28 116.97 117.21 3g3c h TYR 129 Ca -0.01 0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 3g3c h TYR 129 Cb 0.22 0.18 0.00 0.00 1.00 0.00 0.00 36.73 38.14 3g3c h TYR 129 CO -0.02 -0.22 -0.01 -0.44 -0.00 0.00 0.00 178.16 177.47 3g3c h ASP 130 N 0.04 -0.03 -0.93 3.88 3.32 -1.33 -0.58 116.42 120.80 3g3c h ASP 130 Ca 0.30 -0.12 0.12 0.00 0.02 0.00 0.00 57.03 57.35 3g3c h ASP 130 Cb 0.47 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.95 3g3c h ASP 130 CO -0.58 0.10 0.56 0.00 -1.72 0.00 0.00 179.24 177.60 3g3c h ALA 131 N 0.82 1.38 -0.07 3.45 0.00 -0.74 -2.40 119.26 121.70 3g3c h ALA 131 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g3c h ALA 131 Cb 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g3c h ALA 131 CO 0.01 0.14 0.04 0.35 0.00 0.00 0.00 179.25 179.79 3g3c h PHE 132 N 0.88 0.09 0.11 0.00 3.57 0.11 -2.49 116.94 119.21 3g3c h PHE 132 Ca 0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.96 3g3c h PHE 132 Cb 0.48 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3g3c h PHE 132 CO -0.03 0.08 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.97 3g3c h LEU 133 N 0.08 -0.22 -0.58 0.59 3.38 -0.65 -0.50 115.31 117.41 3g3c h LEU 133 Ca 0.03 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.13 3g3c h LEU 133 Cb 0.01 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 3g3c h LEU 133 CO -0.01 -0.14 0.01 -0.33 0.09 0.00 0.00 178.44 178.07 3g3c h GLU 134 N -0.21 0.12 0.35 1.13 5.08 -1.48 0.24 114.58 119.81 3g3c h GLU 134 Ca -0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3g3c h GLU 134 Cb 0.19 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3g3c h GLU 134 CO -0.01 0.08 -0.17 0.22 -1.00 0.00 0.00 179.01 178.14 3g3c h ASP 135 N 0.13 -0.40 -0.51 1.42 3.58 -1.08 0.61 116.42 120.18 3g3c h ASP 135 Ca 0.30 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.68 3g3c h ASP 135 Cb 0.47 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 3g3c h ASP 135 CO -0.48 -0.27 0.06 1.62 -2.88 0.00 0.00 179.24 177.29 3g3c h VAL 136 N -0.48 1.25 0.07 2.25 3.04 -0.66 -2.81 116.25 118.92 3g3c h VAL 136 Ca -0.05 -0.98 -0.00 0.00 -1.01 0.00 0.00 66.70 64.66 3g3c h VAL 136 Cb 0.37 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 3g3c h VAL 136 CO 0.08 0.36 -0.04 0.78 -1.01 0.00 0.00 177.57 177.74 3g3c h ASN 137 N 0.85 -0.09 -1.01 3.17 2.35 -0.43 -1.90 115.58 118.52 3g3c h ASN 137 Ca 0.17 -0.21 0.26 0.00 -0.55 0.00 0.00 56.30 55.97 3g3c h ASN 137 Cb 0.42 0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.68 3g3c h ASN 137 CO 0.01 0.16 0.60 -0.09 -1.65 0.00 0.00 177.43 176.47 3g3c h ARG 138 N -0.33 0.51 0.17 0.81 2.43 -0.76 0.42 114.38 117.63 3g3c h ARG 138 Ca -0.01 -0.03 -0.31 0.00 -0.81 0.00 0.00 59.98 58.82 3g3c h ARG 138 Cb 0.29 -0.12 0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3g3c h ARG 138 CO 0.02 0.34 -1.32 0.93 -1.51 0.00 0.00 179.97 178.43 3g3c h GLU 139 N 0.53 0.59 -0.03 0.20 4.39 -1.38 -3.05 114.58 115.83 3g3c h GLU 139 Ca 0.65 -0.86 -0.15 0.00 0.34 0.00 0.00 59.36 59.34 3g3c h GLU 139 Cb 1.33 0.30 0.01 0.00 -0.10 0.00 0.00 28.75 30.29 3g3c h GLU 139 CO -0.47 1.40 -0.57 -0.09 -1.16 0.00 0.00 179.01 178.11 3g3c h ARG 140 N 0.20 0.45 -0.71 2.33 1.12 -0.66 -2.23 114.38 114.87 3g3c h ARG 140 Ca -0.21 -0.44 0.14 0.00 -1.11 0.00 0.00 59.98 58.36 3g3c h ARG 140 Cb 2.00 0.11 -0.10 0.00 -0.01 0.00 0.00 29.97 31.98 3g3c h ARG 140 CO 0.25 1.09 0.23 -0.44 -3.11 0.00 0.00 179.97 177.99 3g3c h ASP 141 N -0.03 0.15 -0.60 -3.80 3.32 -0.33 0.30 116.42 115.43 3g3c h ASP 141 Ca -0.06 0.12 -0.50 0.00 0.02 0.00 0.00 57.03 56.61 3g3c h ASP 141 Cb 1.26 0.13 -0.10 0.00 0.22 0.00 0.00 39.33 40.84 3g3c h ASP 141 CO 0.11 0.05 1.25 -1.54 -1.72 0.00 0.00 179.24 177.39 3g3c n SER 142 N -5.07 6.90 0.00 6.45 3.41 -1.15 -4.86 113.62 119.30 3g3c n SER 142 Ca 0.13 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 3g3c n SER 142 Cb 0.41 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 3g3c n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g3c n GLY 143 N 1.99 0.20 3.87 5.00 0.00 0.09 -4.91 105.19 111.42 3g3c n GLY 143 Ca 0.56 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 3g3c n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3c s ARG 144 N -1.14 3.59 0.36 1.61 1.81 -0.84 -5.01 118.95 119.33 3g3c s ARG 144 Ca 0.00 0.03 -0.25 0.00 -1.72 0.00 0.00 55.73 53.80 3g3c s ARG 144 Cb 0.00 -3.19 -0.10 0.00 -0.45 0.00 0.00 34.95 31.21 3g3c s ARG 144 CO 0.00 0.74 0.97 -0.80 -0.68 0.00 0.00 175.30 175.54 3g3c s ASN 145 N -1.10 7.11 0.00 0.23 0.02 -1.26 -3.94 114.94 116.00 3g3c s ASN 145 Ca 0.19 1.86 0.04 0.00 -1.02 0.00 0.00 52.86 53.92 3g3c s ASN 145 Cb -0.13 -2.57 -0.01 0.00 0.02 0.00 0.00 41.25 38.55 3g3c s ASN 145 CO 0.08 -0.23 -0.12 0.68 0.02 0.00 0.00 177.10 177.52 3g3c s VAL 146 N -1.74 0.97 -0.18 1.60 -7.23 -1.26 -0.99 120.40 111.58 3g3c s VAL 146 Ca 0.54 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.09 3g3c s VAL 146 Cb -0.18 -0.83 0.02 0.00 0.56 0.00 0.00 36.38 35.95 3g3c s VAL 146 CO 0.23 0.19 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.40 3g3c s ILE 147 N -0.43 1.95 -0.24 -0.62 1.01 -0.09 -3.11 121.20 119.67 3g3c s ILE 147 Ca 0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 3g3c s ILE 147 Cb -0.05 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.63 3g3c s ILE 147 CO -0.00 0.49 -0.03 -0.63 0.00 0.00 0.00 174.94 174.78 3g3c s ILE 148 N 1.33 3.30 0.17 2.92 1.09 0.37 0.65 121.20 131.04 3g3c s ILE 148 Ca 0.04 -0.70 0.06 0.00 -1.10 0.00 0.00 60.65 58.95 3g3c s ILE 148 Cb -0.13 -2.59 -0.05 0.00 -1.06 0.00 0.00 42.46 38.63 3g3c s ILE 148 CO -0.12 0.29 -0.11 0.00 -0.10 0.00 0.00 174.94 174.90 3g3c n GLY 150 N -0.27 0.78 3.54 0.00 0.00 -1.11 -1.53 105.19 106.60 3g3c n GLY 150 Ca -0.09 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 3g3c n GLY 150 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g3c s ASP 151 N -2.96 6.39 0.10 1.61 2.15 -1.10 -2.28 116.67 120.58 3g3c s ASP 151 Ca 0.00 -0.14 0.26 0.00 0.43 0.00 0.00 52.55 53.11 3g3c s ASP 151 Cb 0.00 -2.36 0.75 0.00 -0.30 0.00 0.00 42.92 41.01 3g3c s ASP 151 CO 0.00 -0.84 1.64 0.49 -0.17 0.00 0.00 175.17 176.29 3g3c n PHE 152 N 6.51 0.44 -1.96 -5.34 3.01 0.82 -1.53 117.46 119.42 3g3c n PHE 152 Ca 0.01 0.13 -0.20 0.00 1.01 0.00 0.00 57.45 58.40 3g3c n PHE 152 Cb 0.48 -0.64 -0.05 0.00 -0.01 0.00 0.00 39.48 39.26 3g3c n PHE 152 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3g3c n ASN 153 N -1.90 -5.55 -3.69 4.37 3.02 -1.20 -4.81 115.26 105.50 3g3c n ASN 153 Ca 0.05 0.25 -0.10 0.00 -0.03 0.00 0.00 54.58 54.75 3g3c n ASN 153 Cb 0.39 -4.70 -0.10 0.00 -0.61 0.00 0.00 39.78 34.76 3g3c n ASN 153 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g3c s THR 154 N -2.86 -0.04 0.24 3.41 2.01 -1.26 -4.32 115.64 112.81 3g3c s THR 154 Ca 0.00 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 3g3c s THR 154 Cb 0.00 -0.65 -0.09 0.00 0.01 0.00 0.00 72.50 71.77 3g3c s THR 154 CO 0.00 0.03 0.83 0.00 -0.69 0.00 0.00 174.62 174.80 3g3c s ALA 155 N 1.46 3.35 -0.14 7.40 0.00 -0.75 -4.51 121.76 128.58 3g3c s ALA 155 Ca -0.09 0.38 -0.10 0.00 0.00 0.00 0.00 51.96 52.15 3g3c s ALA 155 Cb -0.08 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 3g3c s ALA 155 CO -0.14 0.26 0.02 1.25 0.00 0.00 0.00 175.76 177.16 3g3c h HIS 156 N 3.67 0.00 -1.93 0.00 2.76 -1.89 -3.44 115.15 114.32 3g3c h HIS 156 Ca -0.47 0.00 -0.60 0.00 -2.20 0.00 0.00 60.37 57.10 3g3c h HIS 156 Cb 1.20 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.03 3g3c h HIS 156 CO 0.63 0.32 -0.65 1.03 -1.30 0.00 0.00 177.93 177.95 3g3c s ARG 157 N -2.05 1.94 0.64 5.26 0.52 -1.26 -4.83 118.95 119.17 3g3c s ARG 157 Ca -0.13 -1.85 0.40 0.00 -0.52 0.00 0.00 55.73 53.63 3g3c s ARG 157 Cb 0.02 -1.81 2.22 0.00 0.52 0.00 0.00 34.95 35.90 3g3c s ARG 157 CO 0.25 0.14 2.33 0.93 0.02 0.00 0.00 175.30 178.97 3g3c h GLU 158 N 1.93 0.00 0.00 3.54 5.08 -1.93 0.17 114.58 123.36 3g3c h GLU 158 Ca -0.42 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 3g3c h GLU 158 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3g3c h GLU 158 CO 0.69 0.00 -0.28 0.97 -1.00 0.00 0.00 179.01 179.39 3g3c h ILE 159 N 0.00 0.65 0.00 3.13 2.10 -1.99 -3.26 117.51 118.14 3g3c h ILE 159 Ca -0.00 -1.29 0.00 0.00 1.08 0.00 0.00 64.86 64.65 3g3c h ILE 159 Cb 0.02 1.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.61 3g3c h ILE 159 CO 0.00 0.27 0.00 0.47 -1.08 0.00 0.00 178.15 177.81 3g3c n ASP 160 N -3.41 0.00 -3.96 2.19 8.00 0.58 -4.21 116.55 115.74 3g3c n ASP 160 Ca 0.00 -0.98 -0.10 0.00 0.71 0.00 0.00 54.79 54.43 3g3c n ASP 160 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 3g3c n ASP 160 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3g3c s LEU 161 N -1.99 0.74 -0.01 0.64 0.05 -1.23 0.02 118.68 116.90 3g3c s LEU 161 Ca 0.46 -0.88 -0.19 0.00 0.05 0.00 0.00 54.13 53.57 3g3c s LEU 161 Cb 0.21 1.37 -0.31 0.00 -2.05 0.00 0.00 46.19 45.40 3g3c s LEU 161 CO 0.35 -0.96 0.97 0.00 -0.55 0.00 0.00 176.35 176.16 3g3c h ALA 162 N 2.45 -0.09 -2.69 1.48 0.00 -1.54 -3.41 119.26 115.47 3g3c h ALA 162 Ca -0.30 -0.73 -0.65 0.00 0.00 0.00 0.00 54.91 53.22 3g3c h ALA 162 Cb 1.24 0.11 -0.39 0.00 0.00 0.00 0.00 17.79 18.75 3g3c h ALA 162 CO 0.45 0.48 -0.33 0.54 0.00 0.00 0.00 179.25 180.39 3g3c n ARG 163 N -4.00 2.46 -0.06 0.00 5.12 -1.26 -4.93 116.66 113.98 3g3c n ARG 163 Ca -0.14 -4.55 -0.15 0.00 -1.93 0.00 0.00 57.85 51.08 3g3c n ARG 163 Cb 0.90 -2.33 -0.06 0.00 -1.16 0.00 0.00 32.46 29.81 3g3c n ARG 163 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g3c h PRO 164 N 5.24 0.80 -0.40 5.56 0.13 -1.84 -3.02 132.00 138.46 3g3c h PRO 164 Ca 0.17 -0.54 -0.14 0.00 -0.87 0.00 0.00 66.00 64.62 3g3c h PRO 164 Cb 0.73 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3g3c h PRO 164 CO 0.84 1.17 -0.29 0.87 -0.23 0.00 0.00 178.00 180.36 3g3c h LYS 165 N 0.54 0.87 -0.08 0.86 1.57 -1.96 -2.54 116.57 115.83 3g3c h LYS 165 Ca -0.00 -0.40 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 3g3c h LYS 165 Cb 1.18 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3g3c h LYS 165 CO 0.12 1.04 -0.34 0.93 -0.57 0.00 0.00 179.45 180.63 3g3c h GLU 166 N 0.74 0.16 -0.15 3.15 3.07 -1.99 -3.29 114.58 116.28 3g3c h GLU 166 Ca 0.08 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3g3c h GLU 166 Cb 0.84 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 3g3c h GLU 166 CO 0.07 0.49 0.00 0.09 -1.40 0.00 0.00 179.01 178.26 3g3c n ASN 167 N -4.10 2.99 0.32 1.42 3.02 -1.10 -4.48 115.26 113.34 3g3c n ASN 167 Ca -0.01 -1.92 0.20 0.00 -0.03 0.00 0.00 54.58 52.81 3g3c n ASN 167 Cb 0.41 -0.08 1.06 0.00 -0.61 0.00 0.00 39.78 40.56 3g3c n ASN 167 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3g3c h SER 168 N 4.20 0.00 0.19 6.41 4.64 -1.53 0.14 113.55 127.60 3g3c h SER 168 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g3c h SER 168 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3g3c h SER 168 CO 0.00 0.00 -1.44 -3.20 -0.87 0.00 0.00 176.83 171.32 3g3c n ASN 169 N -3.13 0.46 -4.74 4.97 5.15 -1.26 -4.34 115.26 112.36 3g3c n ASN 169 Ca -0.02 -0.27 -0.41 0.00 -0.60 0.00 0.00 54.58 53.29 3g3c n ASN 169 Cb 0.18 1.34 -0.05 0.00 -0.53 0.00 0.00 39.78 40.72 3g3c n ASN 169 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3g3c s VAL 170 N -3.30 4.34 0.28 3.44 1.01 0.49 -4.91 120.40 121.75 3g3c s VAL 170 Ca -0.01 2.04 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 3g3c s VAL 170 Cb 0.14 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 32.11 3g3c s VAL 170 CO 0.86 0.40 1.51 -0.55 0.00 0.00 0.00 175.10 177.33 3g3c s SER 171 N -0.50 6.51 0.00 3.32 0.15 -1.26 -2.37 113.70 119.54 3g3c s SER 171 Ca 0.44 2.82 0.00 0.00 0.70 0.00 0.00 55.95 59.91 3g3c s SER 171 Cb -0.24 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 3g3c s SER 171 CO 0.30 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.54 3g3c n GLY 172 N 2.10 1.42 0.26 9.45 0.00 -1.26 -4.69 105.19 112.47 3g3c n GLY 172 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3g3c n GLY 172 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g3c n PHE 173 N -0.83 0.00 -1.68 1.61 7.35 -1.00 -1.80 117.46 121.10 3g3c n PHE 173 Ca 0.00 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 3g3c n PHE 173 Cb 0.00 0.05 0.05 0.00 0.35 0.00 0.00 39.48 39.93 3g3c n PHE 173 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3g3c n LEU 174 N 0.00 4.81 -0.15 -2.13 7.99 -1.17 -4.66 117.00 121.69 3g3c n LEU 174 Ca 0.00 0.86 -0.07 0.00 -0.01 0.00 0.00 56.01 56.80 3g3c n LEU 174 Cb 0.57 -1.48 0.10 0.00 -0.11 0.00 0.00 43.42 42.49 3g3c n LEU 174 CO 0.00 -1.28 0.84 -0.65 -1.51 0.00 0.00 177.39 174.78 3g3c h PRO 175 N 0.76 0.91 -0.85 3.23 0.11 -1.95 -2.38 132.00 131.83 3g3c h PRO 175 Ca -0.50 -0.28 0.21 0.00 0.11 0.00 0.00 66.00 65.55 3g3c h PRO 175 Cb 1.34 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3g3c h PRO 175 CO 0.53 0.92 0.58 0.28 -0.21 0.00 0.00 178.00 180.10 3g3c h VAL 176 N 0.83 0.66 0.00 3.15 2.07 -1.98 0.14 116.25 121.13 3g3c h VAL 176 Ca 0.15 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 3g3c h VAL 176 Cb 0.53 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3g3c h VAL 176 CO 0.03 0.05 -0.23 -0.33 0.02 0.00 0.00 177.57 177.11 3g3c h GLU 177 N 0.26 0.00 -0.13 1.57 5.08 -1.83 -3.25 114.58 116.28 3g3c h GLU 177 Ca 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.77 3g3c h GLU 177 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3g3c h GLU 177 CO -0.11 1.00 -0.00 0.00 -1.00 0.00 0.00 179.01 178.90 3g3c h ARG 178 N -1.00 0.18 -0.15 2.33 3.08 -1.03 -1.44 114.38 116.35 3g3c h ARG 178 Ca -0.06 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3g3c h ARG 178 Cb 1.05 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 3g3c h ARG 178 CO -0.04 0.20 -0.12 0.00 -1.07 0.00 0.00 179.97 178.94 3g3c h ALA 179 N 1.82 1.52 -0.16 0.04 0.00 -1.09 -1.91 119.26 119.48 3g3c h ALA 179 Ca 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3g3c h ALA 179 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3g3c h ALA 179 CO 0.00 0.34 -0.28 2.35 0.00 0.00 0.00 179.25 181.67 3g3c h TRP 180 N 0.22 0.59 -0.65 0.00 7.01 -1.29 -1.59 115.95 120.23 3g3c h TRP 180 Ca 0.05 -0.21 -0.00 0.00 2.11 0.00 0.00 58.89 60.84 3g3c h TRP 180 Cb 0.36 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 3g3c h TRP 180 CO 0.01 0.91 0.39 0.82 -2.79 0.00 0.00 178.44 177.77 3g3c h ILE 181 N 0.10 1.19 0.32 2.65 2.04 -1.32 0.77 117.51 123.26 3g3c h ILE 181 Ca 0.01 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3g3c h ILE 181 Cb 0.86 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3g3c h ILE 181 CO 0.06 0.19 -0.38 0.44 0.00 0.00 0.00 178.15 178.47 3g3c h ASP 182 N 0.90 -1.04 -0.60 1.72 3.32 -1.27 0.13 116.42 119.58 3g3c h ASP 182 Ca 0.24 0.10 0.10 0.00 0.02 0.00 0.00 57.03 57.48 3g3c h ASP 182 Cb -0.03 0.36 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 3g3c h ASP 182 CO -0.04 -0.51 0.21 0.50 -1.72 0.00 0.00 179.24 177.68 3g3c h LYS 183 N -0.74 0.37 -0.10 3.56 3.64 -0.28 0.30 116.57 123.32 3g3c h LYS 183 Ca -0.02 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3g3c h LYS 183 Cb 0.68 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 3g3c h LYS 183 CO -0.10 0.25 -0.09 0.35 -2.27 0.00 0.00 179.45 177.59 3g3c h PHE 184 N 0.38 -0.22 -0.47 1.91 3.57 0.90 -1.64 116.94 121.37 3g3c h PHE 184 Ca 0.31 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.73 3g3c h PHE 184 Cb 0.39 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3g3c h PHE 184 CO -0.18 -0.14 -0.06 0.82 -2.23 0.00 0.00 178.31 176.52 3g3c h ILE 185 N -0.11 1.25 0.00 1.41 2.04 -0.63 -2.12 117.51 119.35 3g3c h ILE 185 Ca 0.07 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3g3c h ILE 185 Cb 0.21 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3g3c h ILE 185 CO -0.17 0.39 -0.00 -0.33 0.00 0.00 0.00 178.15 178.03 3g3c h GLU 186 N 0.75 0.00 -0.09 2.37 5.08 -0.43 -1.86 114.58 120.40 3g3c h GLU 186 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3g3c h GLU 186 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3g3c h GLU 186 CO 0.03 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.13 3g3c n ASN 187 N -3.27 0.79 0.00 1.42 5.03 -0.66 -4.87 115.26 113.69 3g3c n ASN 187 Ca -0.03 -1.62 0.00 0.00 0.87 0.00 0.00 54.58 53.80 3g3c n ASN 187 Cb 0.09 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 3g3c n ASN 187 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3g3c n GLY 188 N 0.92 0.88 3.08 7.41 0.00 -0.72 -5.05 105.19 111.72 3g3c n GLY 188 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 3g3c n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3c s TYR 189 N -1.75 0.83 -0.11 1.61 1.51 -1.11 -2.05 117.35 116.28 3g3c s TYR 189 Ca 0.00 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3g3c s TYR 189 Cb 0.00 -0.49 -0.00 0.00 -0.11 0.00 0.00 41.96 41.36 3g3c s TYR 189 CO 0.00 -0.03 -0.21 0.08 -1.11 0.00 0.00 175.55 174.28 3g3c s VAL 190 N -1.09 2.30 -0.82 0.71 1.01 0.23 -4.46 120.40 118.27 3g3c s VAL 190 Ca -0.05 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 3g3c s VAL 190 Cb -0.08 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3g3c s VAL 190 CO 0.01 0.55 1.89 -0.62 0.00 0.00 0.00 175.10 176.93 3g3c s ASP 191 N 0.36 5.25 0.48 3.32 -1.08 -1.26 -2.18 116.67 121.56 3g3c s ASP 191 Ca -0.17 -0.40 0.23 0.00 -0.52 0.00 0.00 52.55 51.69 3g3c s ASP 191 Cb -0.17 -2.55 1.27 0.00 -1.46 0.00 0.00 42.92 40.00 3g3c s ASP 191 CO 0.08 -2.57 1.93 0.71 0.52 0.00 0.00 175.17 175.83 3g3c h THR 192 N 7.11 0.70 -0.54 1.71 1.35 -1.67 -0.54 112.91 121.03 3g3c h THR 192 Ca -0.01 -0.06 -0.03 0.00 -0.55 0.00 0.00 66.41 65.76 3g3c h THR 192 Cb 1.05 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 3g3c h THR 192 CO 1.22 0.03 0.22 0.15 -0.25 0.00 0.00 175.52 176.89 3g3c h PHE 193 N 0.18 0.82 0.00 4.73 3.57 -1.82 -2.97 116.94 121.45 3g3c h PHE 193 Ca 0.36 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3g3c h PHE 193 Cb 1.16 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3g3c h PHE 193 CO -0.00 0.67 0.00 0.54 -2.23 0.00 0.00 178.31 177.29 3g3c n ARG 194 N -4.52 0.10 0.21 1.11 5.12 -0.22 -2.07 116.66 116.41 3g3c n ARG 194 Ca 0.02 0.15 0.07 0.00 -1.93 0.00 0.00 57.85 56.16 3g3c n ARG 194 Cb 0.16 -1.50 0.45 0.00 -1.16 0.00 0.00 32.46 30.41 3g3c n ARG 194 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 3g3c h MET 195 N 0.00 0.00 0.00 5.56 2.86 -1.51 -3.35 114.93 118.48 3g3c h MET 195 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g3c h MET 195 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3g3c h MET 195 CO 0.00 0.30 -0.20 1.19 1.06 0.00 0.00 176.91 179.25 3g3c n PHE 196 N -3.69 0.00 -3.66 -0.22 3.72 -0.88 -5.02 117.46 107.71 3g3c n PHE 196 Ca -0.01 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.18 3g3c n PHE 196 Cb 0.41 0.00 -0.18 0.00 -0.94 0.00 0.00 39.48 38.77 3g3c n PHE 196 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3g3c s ASN 197 N -1.12 1.26 0.00 4.37 3.84 -0.95 -5.00 114.94 117.33 3g3c s ASN 197 Ca 0.00 0.01 0.16 0.00 0.21 0.00 0.00 52.86 53.25 3g3c s ASN 197 Cb 0.00 -0.15 -0.02 0.00 -0.55 0.00 0.00 41.25 40.53 3g3c s ASN 197 CO 0.00 -0.26 0.85 -1.20 -2.79 0.00 0.00 177.10 173.70 3g3c n SER 198 N 5.30 1.55 -4.78 -4.21 7.64 -1.26 -4.41 113.62 113.44 3g3c n SER 198 Ca -0.03 -1.28 -0.36 0.00 1.01 0.00 0.00 58.87 58.21 3g3c n SER 198 Cb 0.50 0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 64.19 3g3c n SER 198 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3g3c s ASP 199 N -2.00 6.70 1.11 6.43 1.01 -1.26 -5.07 116.67 123.59 3g3c s ASP 199 Ca 0.13 2.04 -0.17 0.00 0.71 0.00 0.00 52.55 55.26 3g3c s ASP 199 Cb 0.13 -2.58 0.25 0.00 1.01 0.00 0.00 42.92 41.72 3g3c s ASP 199 CO 0.44 -0.53 1.14 -0.81 0.21 0.00 0.00 175.17 175.62 3g3c n PRO 200 N -0.14 -2.05 -0.83 8.23 -0.04 -1.26 -4.35 135.00 134.55 3g3c n PRO 200 Ca 0.05 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 3g3c n PRO 200 Cb 0.50 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3g3c n PRO 200 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g3c n GLY 201 N -3.68 0.58 3.45 0.55 0.00 -1.26 -4.96 105.19 99.88 3g3c n GLY 201 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 3g3c n GLY 201 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3c s GLN 202 N -0.43 3.14 0.27 1.61 -1.52 -1.26 -5.02 119.66 116.45 3g3c s GLN 202 Ca 0.00 -0.85 0.04 0.00 -1.95 0.00 0.00 55.36 52.60 3g3c s GLN 202 Cb 0.00 -4.12 -0.06 0.00 -0.22 0.00 0.00 33.01 28.62 3g3c s GLN 202 CO 0.00 -1.32 0.01 0.71 -0.25 0.00 0.00 175.29 174.44 3g3c s TYR 203 N 2.89 1.77 0.00 0.91 4.12 -1.26 -4.58 117.35 121.19 3g3c s TYR 203 Ca 0.17 -0.90 0.00 0.00 0.02 0.00 0.00 57.07 56.36 3g3c s TYR 203 Cb -0.19 -1.07 0.00 0.00 -1.52 0.00 0.00 41.96 39.18 3g3c s TYR 203 CO 0.12 0.02 0.00 0.25 0.02 0.00 0.00 175.55 175.96 3g3c n THR 204 N -0.54 0.00 -4.73 -0.71 -2.24 0.33 -4.89 114.28 101.50 3g3c n THR 204 Ca -0.04 -0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.48 3g3c n THR 204 Cb 0.65 0.37 -0.15 0.00 -2.10 0.00 0.00 70.33 69.10 3g3c n THR 204 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3g3c s TRP 205 N -1.31 1.58 0.02 4.78 -0.00 0.30 -0.19 118.94 124.12 3g3c s TRP 205 Ca 0.00 -0.32 0.02 0.00 -0.00 0.00 0.00 56.10 55.80 3g3c s TRP 205 Cb 0.00 -0.99 -0.01 0.00 -0.00 0.00 0.00 33.47 32.47 3g3c s TRP 205 CO 0.00 0.01 -0.06 -1.58 -0.00 0.00 0.00 176.95 175.32 3g3c s TRP 206 N -0.56 0.52 0.25 5.86 0.51 -0.70 -0.61 118.94 124.22 3g3c s TRP 206 Ca 0.06 -0.27 -0.30 0.00 -2.12 0.00 0.00 56.10 53.47 3g3c s TRP 206 Cb -0.07 -0.32 -0.09 0.00 -0.81 0.00 0.00 33.47 32.17 3g3c s TRP 206 CO 0.00 -0.05 1.25 0.45 -0.51 0.00 0.00 176.95 178.10 3g3c s SER 207 N -0.78 6.95 0.07 2.95 0.15 -1.26 -4.77 113.70 117.01 3g3c s SER 207 Ca -0.04 2.44 -0.16 0.00 0.70 0.00 0.00 55.95 58.89 3g3c s SER 207 Cb -0.06 -2.62 -0.13 0.00 -1.71 0.00 0.00 66.02 61.50 3g3c s SER 207 CO 0.00 -0.44 1.33 1.88 1.20 0.00 0.00 173.24 177.21 3g3c h TYR 208 N 4.47 0.80 -1.19 3.44 0.99 -1.98 -2.87 116.97 120.63 3g3c h TYR 208 Ca -0.46 -0.30 0.36 0.00 2.00 0.00 0.00 58.73 60.33 3g3c h TYR 208 Cb 1.22 -0.14 -0.11 0.00 1.00 0.00 0.00 36.73 38.69 3g3c h TYR 208 CO 0.60 1.06 0.76 0.00 -0.00 0.00 0.00 178.16 180.58 3g3c h ARG 209 N 0.30 0.21 -0.11 4.88 3.08 -2.05 -2.09 114.38 118.61 3g3c h ARG 209 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3g3c h ARG 209 Cb 1.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3g3c h ARG 209 CO 0.09 0.14 0.00 0.25 -1.07 0.00 0.00 179.97 179.38 3g3c n THR 210 N -4.67 0.94 -3.70 2.04 -2.24 -1.26 -4.98 114.28 100.41 3g3c n THR 210 Ca 0.32 -0.97 -0.25 0.00 -2.27 0.00 0.00 64.05 60.88 3g3c n THR 210 Cb 1.18 0.54 0.06 0.00 -2.10 0.00 0.00 70.33 70.01 3g3c n THR 210 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g3c n ARG 211 N -0.13 -6.82 -0.07 -0.78 1.74 -0.78 -4.91 116.66 104.91 3g3c n ARG 211 Ca 0.04 0.74 -0.02 0.00 -0.77 0.00 0.00 57.85 57.84 3g3c n ARG 211 Cb 0.30 -5.70 0.24 0.00 -1.02 0.00 0.00 32.46 26.28 3g3c n ARG 211 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g3c h ALA 212 N 0.98 1.28 -0.18 7.54 0.00 -1.75 -3.04 119.26 124.08 3g3c h ALA 212 Ca -0.58 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.18 3g3c h ALA 212 Cb 1.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3g3c h ALA 212 CO 0.59 0.49 0.14 -0.09 0.00 0.00 0.00 179.25 180.38 3g3c h ARG 213 N 0.65 0.00 -0.49 0.00 2.43 -1.77 -1.26 114.38 113.94 3g3c h ARG 213 Ca 0.14 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 3g3c h ARG 213 Cb 0.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3g3c h ARG 213 CO 0.01 0.00 -0.10 0.93 -1.51 0.00 0.00 179.97 179.30 3g3c h GLU 214 N 0.00 0.92 -0.12 0.20 5.08 -1.91 -2.43 114.58 116.32 3g3c h GLU 214 Ca 0.09 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 3g3c h GLU 214 Cb 0.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3g3c h GLU 214 CO -0.00 1.00 -0.42 0.00 -1.00 0.00 0.00 179.01 178.59 3g3c h ARG 215 N 0.78 0.27 -0.73 2.33 3.08 -1.48 -3.47 114.38 115.14 3g3c h ARG 215 Ca 0.13 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3g3c h ARG 215 Cb 0.65 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3g3c h ARG 215 CO 0.04 0.64 -0.09 -1.71 -1.07 0.00 0.00 179.97 177.78 3g3c n ASN 216 N -4.02 -1.98 -4.64 7.04 4.05 -0.57 -5.04 115.26 110.11 3g3c n ASN 216 Ca -0.02 -0.02 -0.43 0.00 0.45 0.00 0.00 54.58 54.57 3g3c n ASN 216 Cb 0.49 -1.23 -0.03 0.00 1.23 0.00 0.00 39.78 40.24 3g3c n ASN 216 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3g3c s VAL 217 N -2.34 4.59 0.32 3.44 1.01 -1.11 -4.93 120.40 121.39 3g3c s VAL 217 Ca 0.02 1.68 -0.18 0.00 0.00 0.00 0.00 61.98 63.50 3g3c s VAL 217 Cb -0.01 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 32.08 3g3c s VAL 217 CO 0.02 -0.39 0.87 -0.83 0.00 0.00 0.00 175.10 174.77 3g3c s GLY 218 N 1.57 0.26 0.08 4.51 0.00 -1.26 -4.41 107.32 108.07 3g3c s GLY 218 Ca 0.43 -0.59 0.07 0.00 0.00 0.00 0.00 44.72 44.63 3g3c s GLY 218 CO 0.13 0.57 -0.20 -0.98 0.00 0.00 0.00 173.10 172.62 3g3c s TRP 219 N -2.33 1.71 -0.51 1.90 0.52 0.22 -1.46 118.94 119.00 3g3c s TRP 219 Ca 0.17 -0.41 -0.17 0.00 0.02 0.00 0.00 56.10 55.72 3g3c s TRP 219 Cb -0.04 -0.96 0.09 0.00 -1.15 0.00 0.00 33.47 31.40 3g3c s TRP 219 CO 0.09 0.15 0.50 0.50 0.02 0.00 0.00 176.95 178.22 3g3c s ARG 220 N -1.65 3.02 -0.00 4.98 3.52 0.10 -0.51 118.95 128.40 3g3c s ARG 220 Ca 0.06 -1.36 0.07 0.00 -0.13 0.00 0.00 55.73 54.36 3g3c s ARG 220 Cb -0.10 -4.19 -0.09 0.00 -1.56 0.00 0.00 34.95 29.02 3g3c s ARG 220 CO 0.03 -1.21 0.21 1.28 -0.81 0.00 0.00 175.30 174.80 3g3c n LEU 221 N 5.53 0.15 -4.61 -0.88 4.77 -1.26 -3.68 117.00 117.01 3g3c n LEU 221 Ca -0.11 -0.24 -0.34 0.00 -0.03 0.00 0.00 56.01 55.29 3g3c n LEU 221 Cb 0.43 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 3g3c n LEU 221 CO 0.52 0.04 -0.28 -1.81 -1.33 0.00 0.00 177.39 174.52 3g3c s ASP 222 N -2.23 5.39 0.06 -1.43 1.01 -1.26 -0.12 116.67 118.08 3g3c s ASP 222 Ca -0.00 0.05 0.03 0.00 0.71 0.00 0.00 52.55 53.33 3g3c s ASP 222 Cb 0.05 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 42.09 3g3c s ASP 222 CO 0.28 0.21 -0.09 -0.31 0.21 0.00 0.00 175.17 175.46 3g3c s TYR 223 N 0.17 0.81 -0.17 4.23 1.51 -0.97 -4.97 117.35 117.96 3g3c s TYR 223 Ca 0.03 -0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 55.50 3g3c s TYR 223 Cb -0.13 -0.47 -0.02 0.00 -0.11 0.00 0.00 41.96 41.23 3g3c s TYR 223 CO 0.01 -0.06 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.29 3g3c s PHE 224 N -1.69 2.99 0.03 2.71 0.40 -1.26 -2.73 117.98 118.43 3g3c s PHE 224 Ca -0.05 -0.46 0.09 0.00 -0.60 0.00 0.00 56.93 55.91 3g3c s PHE 224 Cb -0.08 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 3g3c s PHE 224 CO 0.00 -0.17 -0.25 -0.06 0.70 0.00 0.00 175.22 175.44 3g3c s PHE 225 N 0.63 2.24 0.09 0.36 0.40 0.10 -1.58 117.98 120.22 3g3c s PHE 225 Ca -0.03 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 3g3c s PHE 225 Cb -0.15 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 41.99 3g3c s PHE 225 CO 0.02 0.09 -0.13 0.14 0.70 0.00 0.00 175.22 176.04 3g3c s VAL 226 N -0.76 1.13 0.29 -0.44 -7.23 -0.93 -0.48 120.40 111.98 3g3c s VAL 226 Ca 0.11 -1.46 -0.29 0.00 -1.81 0.00 0.00 61.98 58.53 3g3c s VAL 226 Cb -0.10 -1.22 -0.10 0.00 0.56 0.00 0.00 36.38 35.52 3g3c s VAL 226 CO 0.01 -0.33 1.27 0.54 -0.31 0.00 0.00 175.10 176.28 3g3c s ASN 227 N -2.03 6.90 0.60 4.85 4.22 -1.18 0.75 114.94 129.05 3g3c s ASN 227 Ca 0.02 2.53 0.30 0.00 -2.14 0.00 0.00 52.86 53.57 3g3c s ASN 227 Cb -0.08 -2.63 1.79 0.00 1.28 0.00 0.00 41.25 41.61 3g3c s ASN 227 CO 0.02 -0.45 2.19 1.05 -2.04 0.00 0.00 177.10 177.87 3g3c h GLU 228 N 3.97 0.00 -0.44 3.55 4.11 -1.75 0.17 114.58 124.20 3g3c h GLU 228 Ca -0.47 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.94 3g3c h GLU 228 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3g3c h GLU 228 CO 0.69 0.00 0.20 0.93 0.07 0.00 0.00 179.01 180.90 3g3c h GLU 229 N 0.00 0.62 -0.01 1.06 3.07 -1.91 -2.50 114.58 114.91 3g3c h GLU 229 Ca 0.04 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3g3c h GLU 229 Cb 0.23 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3g3c h GLU 229 CO -0.00 0.49 -0.43 0.34 -1.40 0.00 0.00 179.01 178.01 3g3c n PHE 230 N -4.39 0.00 -0.28 4.33 7.35 0.58 -4.45 117.46 120.61 3g3c n PHE 230 Ca 0.03 0.00 0.26 0.00 -0.76 0.00 0.00 57.45 56.98 3g3c n PHE 230 Cb 0.13 -0.12 0.61 0.00 0.35 0.00 0.00 39.48 40.44 3g3c n PHE 230 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3g3c h LYS 231 N 0.95 0.22 0.00 -4.13 3.64 -1.07 -1.69 116.57 114.48 3g3c h LYS 231 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3g3c h LYS 231 Cb 0.54 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3g3c h LYS 231 CO 0.00 0.15 -0.08 0.78 -2.27 0.00 0.00 179.45 178.02 3g3c h GLY 232 N 0.23 0.00 -0.85 5.01 0.00 -1.78 -3.02 103.07 102.67 3g3c h GLY 232 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3g3c h GLY 232 CO -0.15 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.67 3g3c n LYS 233 N -3.76 1.84 -2.99 4.80 5.02 -0.64 -4.80 118.16 117.63 3g3c n LYS 233 Ca -0.02 -1.21 -0.43 0.00 -2.02 0.00 0.00 58.31 54.63 3g3c n LYS 233 Cb 0.19 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 3g3c n LYS 233 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g3c s VAL 234 N -1.98 4.70 -0.09 -0.18 0.11 -1.14 -1.06 120.40 120.76 3g3c s VAL 234 Ca 0.35 0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 59.83 3g3c s VAL 234 Cb 0.21 -4.27 -0.27 0.00 -1.53 0.00 0.00 36.38 30.51 3g3c s VAL 234 CO 0.32 -0.62 0.49 0.50 -3.33 0.00 0.00 175.10 172.46 3g3c h LYS 235 N 8.84 0.29 -4.39 1.54 3.64 -1.47 -3.48 116.57 121.53 3g3c h LYS 235 Ca -0.25 -0.49 -0.26 0.00 -1.27 0.00 0.00 60.65 58.39 3g3c h LYS 235 Cb 1.09 0.18 -0.22 0.00 -0.41 0.00 0.00 32.23 32.87 3g3c h LYS 235 CO 0.93 1.20 -0.73 1.03 -2.27 0.00 0.00 179.45 179.62 3g3c s ARG 236 N -2.57 0.46 -0.29 1.90 0.52 -1.18 -4.98 118.95 112.81 3g3c s ARG 236 Ca -0.19 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 3g3c s ARG 236 Cb 0.06 -0.21 0.17 0.00 0.52 0.00 0.00 34.95 35.50 3g3c s ARG 236 CO 0.80 0.03 0.47 0.45 0.02 0.00 0.00 175.30 177.07 3g3c s SER 237 N -1.38 -0.22 0.38 0.23 0.15 -1.26 -1.54 113.70 110.06 3g3c s SER 237 Ca -0.10 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.35 3g3c s SER 237 Cb -0.09 1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 65.57 3g3c s SER 237 CO 0.00 -0.33 0.13 -1.66 1.20 0.00 0.00 173.24 172.57 3g3c s TRP 238 N 2.60 1.78 -0.27 3.44 -2.14 -0.85 -4.63 118.94 118.87 3g3c s TRP 238 Ca 0.10 -1.26 0.00 0.00 2.66 0.00 0.00 56.10 57.60 3g3c s TRP 238 Cb -0.12 -1.12 0.05 0.00 -3.10 0.00 0.00 33.47 29.18 3g3c s TRP 238 CO -0.28 -0.30 -0.07 0.42 -2.66 0.00 0.00 176.95 174.06 3g3c s ILE 239 N -3.28 2.60 -1.03 0.66 1.01 -1.26 -1.60 121.20 118.29 3g3c s ILE 239 Ca 0.28 -1.39 -0.20 0.00 0.00 0.00 0.00 60.65 59.33 3g3c s ILE 239 Cb 0.04 -2.45 -0.09 0.00 0.01 0.00 0.00 42.46 39.97 3g3c s ILE 239 CO 0.15 0.02 1.97 0.18 0.00 0.00 0.00 174.94 177.26 3g3c n LEU 240 N 4.56 4.49 -0.37 2.97 4.32 -0.60 -4.73 117.00 127.63 3g3c n LEU 240 Ca -0.15 -3.27 0.10 0.00 -0.02 0.00 0.00 56.01 52.67 3g3c n LEU 240 Cb 0.44 -1.40 0.40 0.00 -1.62 0.00 0.00 43.42 41.25 3g3c n LEU 240 CO 0.24 -0.33 0.78 -1.54 -1.22 0.00 0.00 177.39 175.32 3g3c n SER 241 N 8.66 1.11 -0.34 -1.43 3.41 -1.26 -3.10 113.62 120.67 3g3c n SER 241 Ca 0.49 -1.65 0.10 0.00 -0.26 0.00 0.00 58.87 57.55 3g3c n SER 241 Cb 0.42 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3g3c n SER 241 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3g3c n ASP 242 N -0.03 1.65 -4.62 4.04 5.75 -1.26 -4.91 116.55 117.17 3g3c n ASP 242 Ca 0.15 -1.33 -0.42 0.00 -0.01 0.00 0.00 54.79 53.18 3g3c n ASP 242 Cb 0.24 0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 40.88 3g3c n ASP 242 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3g3c s VAL 243 N -2.37 4.71 0.58 2.12 1.01 -1.18 -5.04 120.40 120.23 3g3c s VAL 243 Ca 0.14 1.29 0.07 0.00 0.00 0.00 0.00 61.98 63.48 3g3c s VAL 243 Cb 0.16 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.39 3g3c s VAL 243 CO 0.57 -0.33 0.80 -0.04 0.00 0.00 0.00 175.10 176.10 3g3c s MET 244 N 3.15 2.25 0.00 2.72 -1.94 -1.26 -4.64 119.30 119.59 3g3c s MET 244 Ca 0.36 -1.43 0.00 0.00 -1.71 0.00 0.00 55.69 52.90 3g3c s MET 244 Cb -0.13 -2.59 0.00 0.00 2.01 0.00 0.00 34.83 34.12 3g3c s MET 244 CO 0.14 -0.90 0.00 0.41 -0.01 0.00 0.00 175.02 174.66 3g3c n GLY 245 N -2.32 1.46 3.31 -0.03 0.00 -1.26 -5.07 105.19 101.27 3g3c n GLY 245 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3g3c n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g3c s SER 246 N -1.72 0.10 0.31 1.61 0.15 -1.26 -4.63 113.70 108.26 3g3c s SER 246 Ca 0.00 -1.01 0.26 0.00 0.70 0.00 0.00 55.95 55.90 3g3c s SER 246 Cb 0.00 0.42 0.94 0.00 -1.71 0.00 0.00 66.02 65.67 3g3c s SER 246 CO 0.00 -0.88 1.77 -2.24 1.20 0.00 0.00 173.24 173.09 3g3c h ASP 247 N 2.59 0.00 -2.50 5.45 2.03 -1.86 -3.43 116.42 118.69 3g3c h ASP 247 Ca -0.32 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.44 3g3c h ASP 247 Cb 1.23 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.68 3g3c h ASP 247 CO 0.50 0.00 -0.52 -1.00 -1.03 0.00 0.00 179.24 177.18 3g3c s HIS 248 N -3.30 3.24 0.25 4.15 3.76 -1.26 -1.72 115.29 120.41 3g3c s HIS 248 Ca 0.06 -0.01 0.07 0.00 -0.15 0.00 0.00 55.06 55.03 3g3c s HIS 248 Cb 0.10 -1.52 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 3g3c s HIS 248 CO 0.50 0.51 0.15 0.00 -0.85 0.00 0.00 174.74 175.04 3g3c s PRO 250 N -3.74 3.31 0.16 0.00 0.04 -1.25 -4.66 135.00 128.86 3g3c s PRO 250 Ca 0.32 1.15 0.10 0.00 0.04 0.00 0.00 61.00 62.62 3g3c s PRO 250 Cb -0.08 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3g3c s PRO 250 CO 0.24 -0.81 -0.23 0.96 0.04 0.00 0.00 177.00 177.20 3g3c s ILE 251 N -2.54 2.11 0.04 0.56 -4.36 0.01 -1.56 121.20 115.46 3g3c s ILE 251 Ca 0.62 -1.89 0.05 0.00 -0.26 0.00 0.00 60.65 59.18 3g3c s ILE 251 Cb -0.15 -1.95 -0.02 0.00 1.25 0.00 0.00 42.46 41.58 3g3c s ILE 251 CO 0.39 -0.12 -0.14 -0.83 0.24 0.00 0.00 174.94 174.47 3g3c s GLY 252 N -2.45 0.80 -0.02 6.27 0.00 -0.63 -1.04 107.32 110.25 3g3c s GLY 252 Ca 0.16 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 44.08 3g3c s GLY 252 CO 0.08 -0.80 -0.09 -2.27 0.00 0.00 0.00 173.10 170.02 3g3c s LEU 253 N -1.10 1.85 -0.11 0.66 2.96 0.74 -2.01 118.68 121.67 3g3c s LEU 253 Ca 0.02 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3g3c s LEU 253 Cb -0.08 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 3g3c s LEU 253 CO 0.01 0.08 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.33 3g3c s GLU 254 N 0.08 3.19 0.28 1.98 2.02 -0.59 -0.39 118.70 125.27 3g3c s GLU 254 Ca -0.01 -0.77 0.06 0.00 0.02 0.00 0.00 54.97 54.27 3g3c s GLU 254 Cb -0.07 -2.48 -0.06 0.00 0.10 0.00 0.00 34.13 31.62 3g3c s GLU 254 CO 0.00 0.23 -0.03 0.96 0.02 0.00 0.00 175.26 176.44 3g3c s ILE 255 N 0.28 1.49 0.00 -1.63 -4.36 0.43 -1.21 121.20 116.20 3g3c s ILE 255 Ca -0.13 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.17 3g3c s ILE 255 Cb -0.16 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.05 3g3c s ILE 255 CO 0.07 -0.26 0.43 1.21 0.24 0.00 0.00 174.94 176.63