#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g0r s LEU 4 N 0.00 4.38 -0.15 6.55 1.43 -0.68 -4.90 118.68 125.30 3g0r s LEU 4 Ca 0.00 0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 3g0r s LEU 4 Cb 0.00 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 3g0r s LEU 4 CO 0.00 0.24 -0.00 -0.75 0.23 0.00 0.00 176.35 176.06 3g0r s LYS 5 N -1.70 3.65 -0.09 1.70 2.20 -1.26 -1.97 119.74 122.27 3g0r s LYS 5 Ca 0.29 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.46 3g0r s LYS 5 Cb -0.14 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.22 3g0r s LYS 5 CO 0.16 0.33 -0.12 0.42 -0.36 0.00 0.00 175.35 175.78 3g0r s ILE 6 N 0.15 1.18 -0.13 5.43 1.01 0.50 -0.23 121.20 129.11 3g0r s ILE 6 Ca 0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 3g0r s ILE 6 Cb -0.13 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 3g0r s ILE 6 CO 0.02 0.37 -0.11 -0.63 0.00 0.00 0.00 174.94 174.60 3g0r s ILE 7 N 0.98 3.28 -0.13 2.92 -1.09 -0.68 0.52 121.20 127.00 3g0r s ILE 7 Ca -0.08 -0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 57.74 3g0r s ILE 7 Cb -0.15 -2.39 -0.02 0.00 -1.58 0.00 0.00 42.46 38.32 3g0r s ILE 7 CO -0.00 0.52 -0.07 -0.55 -1.23 0.00 0.00 174.94 173.61 3g0r s SER 8 N 0.28 4.54 -0.03 3.58 0.15 -0.64 -0.37 113.70 121.20 3g0r s SER 8 Ca -0.08 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.40 3g0r s SER 8 Cb -0.15 -1.62 0.03 0.00 -1.71 0.00 0.00 66.02 62.57 3g0r s SER 8 CO 0.05 0.20 0.03 0.86 1.20 0.00 0.00 173.24 175.58 3g0r s TRP 9 N 0.14 0.18 -0.84 3.44 -0.00 0.17 -1.12 118.94 120.90 3g0r s TRP 9 Ca -0.03 0.11 -0.22 0.00 -0.00 0.00 0.00 56.10 55.96 3g0r s TRP 9 Cb -0.14 -0.42 0.08 0.00 -0.00 0.00 0.00 33.47 32.98 3g0r s TRP 9 CO 0.03 -0.16 1.19 1.21 -0.00 0.00 0.00 176.95 179.23 3g0r s ASN 10 N 1.54 6.38 0.35 5.86 2.47 -1.26 -0.73 114.94 129.55 3g0r s ASN 10 Ca -0.03 -1.31 0.19 0.00 0.42 0.00 0.00 52.86 52.12 3g0r s ASN 10 Cb -0.13 -2.48 0.35 0.00 -1.45 0.00 0.00 41.25 37.55 3g0r s ASN 10 CO -0.03 -1.42 1.58 1.62 -3.72 0.00 0.00 177.10 175.13 3g0r h VAL 11 N 6.16 0.65 -6.53 -5.21 3.04 -1.28 -3.37 116.25 109.71 3g0r h VAL 11 Ca -0.04 -1.72 -0.44 0.00 -1.01 0.00 0.00 66.70 63.49 3g0r h VAL 11 Cb 1.04 2.17 0.01 0.00 -2.01 0.00 0.00 31.29 32.50 3g0r h VAL 11 CO 1.24 0.34 -0.91 -3.20 -1.01 0.00 0.00 177.57 174.03 3g0r n ASN 12 N -3.26 -5.17 0.00 3.17 5.15 -1.10 -4.55 115.26 109.50 3g0r n ASN 12 Ca 0.02 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 3g0r n ASN 12 Cb 0.62 -2.42 0.00 0.00 -0.53 0.00 0.00 39.78 37.45 3g0r n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3g0r n GLY 13 N -1.77 0.51 0.28 8.20 0.00 -0.08 -4.79 105.19 107.54 3g0r n GLY 13 Ca -0.20 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 3g0r n GLY 13 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3g0r h LEU 14 N 0.00 0.79 -0.66 0.99 5.85 -1.03 -2.27 115.31 118.98 3g0r h LEU 14 Ca 0.00 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 3g0r h LEU 14 Cb 0.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3g0r h LEU 14 CO 0.00 0.89 0.09 0.03 -0.34 0.00 0.00 178.44 179.11 3g0r h ARG 15 N 0.74 1.11 -0.06 1.25 -0.00 -1.91 -0.79 114.38 114.72 3g0r h ARG 15 Ca 0.13 -0.31 -0.00 0.00 -0.50 0.00 0.00 59.98 59.30 3g0r h ARG 15 Cb 0.54 -0.12 -0.00 0.00 0.00 0.00 0.00 29.97 30.38 3g0r h ARG 15 CO 0.03 1.03 0.03 0.00 0.00 0.00 0.00 179.97 181.06 3g0r h ALA 16 N 1.04 0.07 -0.64 0.04 0.00 -1.85 -0.82 119.26 117.10 3g0r h ALA 16 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3g0r h ALA 16 Cb 0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3g0r h ALA 16 CO 0.02 -0.39 0.24 0.28 0.00 0.00 0.00 179.25 179.39 3g0r h VAL 17 N 0.01 1.24 -0.48 0.00 2.07 -1.40 -2.55 116.25 115.14 3g0r h VAL 17 Ca 0.02 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 66.86 3g0r h VAL 17 Cb 0.07 0.55 -0.10 0.00 -1.52 0.00 0.00 31.29 30.29 3g0r h VAL 17 CO -0.00 0.30 -0.22 -0.74 0.02 0.00 0.00 177.57 176.93 3g0r h HIS 18 N 0.90 -0.56 -0.03 1.57 6.17 -0.95 -0.29 115.15 121.96 3g0r h HIS 18 Ca 0.21 0.05 0.01 0.00 0.71 0.00 0.00 60.37 61.35 3g0r h HIS 18 Cb 0.24 0.32 -0.00 0.00 2.52 0.00 0.00 27.41 30.48 3g0r h HIS 18 CO 0.02 -0.30 0.03 0.00 0.71 0.00 0.00 177.93 178.38 3g0r h ARG 19 N -0.12 0.00 -0.01 5.26 3.08 -0.87 -1.70 114.38 120.02 3g0r h ARG 19 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3g0r h ARG 19 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3g0r h ARG 19 CO -0.55 0.00 -0.03 1.63 -1.07 0.00 0.00 179.97 179.95 3g0r n LYS 20 N -3.98 1.53 0.00 0.04 5.02 -0.21 -4.94 118.16 115.61 3g0r n LYS 20 Ca -0.02 -0.86 0.00 0.00 -2.02 0.00 0.00 58.31 55.41 3g0r n LYS 20 Cb 0.12 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3g0r n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g0r n GLY 21 N 1.19 2.00 0.22 0.72 0.00 -0.64 -5.03 105.19 103.65 3g0r n GLY 21 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 3g0r n GLY 21 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g0r h PHE 22 N 0.00 -0.17 -0.63 1.61 3.57 -1.40 -2.46 116.94 117.46 3g0r h PHE 22 Ca 0.00 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3g0r h PHE 22 Cb 0.00 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3g0r h PHE 22 CO 0.00 -0.20 0.14 -0.07 -2.23 0.00 0.00 178.31 175.94 3g0r h LEU 23 N 0.06 0.95 0.15 0.59 3.38 -1.87 -0.61 115.31 117.95 3g0r h LEU 23 Ca 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3g0r h LEU 23 Cb 0.46 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3g0r h LEU 23 CO -0.55 0.93 -0.07 0.50 0.09 0.00 0.00 178.44 179.34 3g0r h LYS 24 N 0.95 -0.19 -0.99 1.13 3.64 -1.93 -1.41 116.57 117.77 3g0r h LYS 24 Ca 0.20 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.72 3g0r h LYS 24 Cb 0.36 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.14 3g0r h LYS 24 CO 0.00 0.10 0.63 2.35 -2.27 0.00 0.00 179.45 180.26 3g0r h TRP 25 N -0.48 1.11 -0.27 1.91 7.01 -1.23 0.63 115.95 124.63 3g0r h TRP 25 Ca -0.02 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.86 3g0r h TRP 25 Cb 0.38 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3g0r h TRP 25 CO 0.02 0.41 -0.46 0.35 -2.79 0.00 0.00 178.44 175.97 3g0r h PHE 26 N 0.94 0.85 -0.03 2.65 -0.00 -1.03 -2.21 116.94 118.11 3g0r h PHE 26 Ca 0.50 -0.27 -0.17 0.00 -0.00 0.00 0.00 57.97 58.04 3g0r h PHE 26 Cb 0.56 -0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 36.33 3g0r h PHE 26 CO -0.00 1.02 -0.72 0.52 -0.00 0.00 0.00 178.31 179.13 3g0r h MET 27 N 0.56 0.19 0.00 1.11 2.86 -0.38 -0.43 114.93 118.84 3g0r h MET 27 Ca 0.03 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 3g0r h MET 27 Cb 1.01 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 3g0r h MET 27 CO 0.10 0.83 -0.31 0.93 1.06 0.00 0.00 176.91 179.51 3g0r h GLU 28 N 0.12 0.00 0.00 1.72 5.08 -0.79 -3.32 114.58 117.39 3g0r h GLU 28 Ca -0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.07 3g0r h GLU 28 Cb 1.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 3g0r h GLU 28 CO 0.11 0.31 -2.06 -1.91 -1.00 0.00 0.00 179.01 174.46 3g0r n GLU 29 N -3.97 0.66 -4.19 2.33 4.07 -0.84 -5.01 120.64 113.69 3g0r n GLU 29 Ca -0.02 0.05 -0.33 0.00 -0.06 0.00 0.00 57.16 56.81 3g0r n GLU 29 Cb 0.38 -1.61 -0.06 0.00 -0.06 0.00 0.00 31.44 30.08 3g0r n GLU 29 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3g0r n LYS 30 N -2.75 -1.27 -1.48 5.31 5.02 -0.20 -4.92 118.16 117.86 3g0r n LYS 30 Ca -0.22 0.16 -0.31 0.00 -2.02 0.00 0.00 58.31 55.91 3g0r n LYS 30 Cb 1.01 -3.60 0.06 0.00 -0.02 0.00 0.00 35.03 32.48 3g0r n LYS 30 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3g0r s PRO 31 N -7.20 2.70 0.24 1.97 0.04 -1.26 -4.93 135.00 126.56 3g0r s PRO 31 Ca 0.10 1.05 0.10 0.00 0.04 0.00 0.00 61.00 62.29 3g0r s PRO 31 Cb -0.05 -1.96 0.24 0.00 0.04 0.00 0.00 34.50 32.77 3g0r s PRO 31 CO 0.97 -1.29 1.54 -0.44 0.04 0.00 0.00 177.00 177.82 3g0r h ASP 32 N -0.81 0.00 -3.48 6.66 3.32 -0.96 -3.44 116.42 117.70 3g0r h ASP 32 Ca -0.44 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.35 3g0r h ASP 32 Cb 1.22 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.45 3g0r h ASP 32 CO 0.55 0.69 -0.64 -0.63 -1.72 0.00 0.00 179.24 177.49 3g0r s ILE 33 N -3.43 -0.05 -0.28 0.35 1.01 -0.83 -1.81 121.20 116.16 3g0r s ILE 33 Ca -0.01 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.85 3g0r s ILE 33 Cb 0.12 -0.19 0.07 0.00 0.01 0.00 0.00 42.46 42.48 3g0r s ILE 33 CO 0.77 0.07 -0.06 -0.22 0.00 0.00 0.00 174.94 175.50 3g0r s LEU 34 N 1.07 3.82 -0.15 2.97 2.96 -0.24 -1.69 118.68 127.43 3g0r s LEU 34 Ca -0.08 -1.60 -0.17 0.00 -0.22 0.00 0.00 54.13 52.05 3g0r s LEU 34 Cb -0.11 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3g0r s LEU 34 CO -0.05 -0.24 0.44 0.00 -1.32 0.00 0.00 176.35 175.18 3g0r s LEU 36 N 0.84 2.30 0.17 0.00 1.43 0.22 -0.65 118.68 122.98 3g0r s LEU 36 Ca 0.23 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 3g0r s LEU 36 Cb -0.15 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 3g0r s LEU 36 CO 0.09 0.24 -0.17 -1.10 0.23 0.00 0.00 176.35 175.64 3g0r s GLN 37 N -1.48 1.26 -1.29 1.70 1.11 0.10 -1.46 119.66 119.59 3g0r s GLN 37 Ca 0.13 -1.43 -0.02 0.00 0.01 0.00 0.00 55.36 54.05 3g0r s GLN 37 Cb -0.10 -1.26 -0.00 0.00 -1.01 0.00 0.00 33.01 30.64 3g0r s GLN 37 CO 0.04 0.25 0.68 -1.91 0.01 0.00 0.00 175.29 174.35 3g0r n GLU 38 N 0.19 -4.29 0.25 2.91 2.13 0.34 -0.95 120.64 121.21 3g0r n GLU 38 Ca -0.12 0.59 0.11 0.00 0.66 0.00 0.00 57.16 58.40 3g0r n GLU 38 Cb 0.58 -5.04 0.64 0.00 0.27 0.00 0.00 31.44 27.89 3g0r n GLU 38 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 3g0r h ILE 39 N -1.83 0.63 -6.29 6.31 3.07 -0.61 -0.12 117.51 118.68 3g0r h ILE 39 Ca -0.62 -0.71 -0.45 0.00 1.55 0.00 0.00 64.86 64.63 3g0r h ILE 39 Cb 1.36 1.45 0.03 0.00 -0.27 0.00 0.00 36.82 39.39 3g0r h ILE 39 CO 0.56 0.16 -0.90 0.29 -1.05 0.00 0.00 178.15 177.21 3g0r n LYS 40 N -3.64 -2.79 -3.63 0.16 5.02 0.18 -0.54 118.16 112.92 3g0r n LYS 40 Ca -0.01 0.48 -0.04 0.00 -2.02 0.00 0.00 58.31 56.72 3g0r n LYS 40 Cb 0.29 -4.52 -0.04 0.00 -0.02 0.00 0.00 35.03 30.74 3g0r n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g0r s ALA 41 N -3.70 -2.09 0.14 7.82 0.00 -1.26 -4.41 121.76 118.27 3g0r s ALA 41 Ca 0.20 1.82 0.06 0.00 0.00 0.00 0.00 51.96 54.04 3g0r s ALA 41 Cb -0.07 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3g0r s ALA 41 CO 0.86 -0.31 0.00 0.00 0.00 0.00 0.00 175.76 176.31 3g0r s ALA 42 N -1.26 3.24 0.36 0.00 0.00 -1.26 -4.55 121.76 118.29 3g0r s ALA 42 Ca 0.07 -1.27 0.14 0.00 0.00 0.00 0.00 51.96 50.90 3g0r s ALA 42 Cb -0.01 -1.08 0.99 0.00 0.00 0.00 0.00 23.12 23.03 3g0r s ALA 42 CO -0.06 0.56 1.76 -1.35 0.00 0.00 0.00 175.76 176.67 3g0r h PRO 43 N 2.94 0.48 0.00 0.00 0.11 -1.96 0.73 132.00 134.30 3g0r h PRO 43 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3g0r h PRO 43 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3g0r h PRO 43 CO 0.58 0.32 0.00 0.93 -0.21 0.00 0.00 178.00 179.62 3g0r h GLU 44 N 0.50 0.00 -0.01 1.05 3.07 -2.01 -1.30 114.58 115.88 3g0r h GLU 44 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 3g0r h GLU 44 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 3g0r h GLU 44 CO -0.36 0.00 -0.20 1.04 -1.40 0.00 0.00 179.01 178.10 3g0r n GLN 45 N -2.89 1.21 -3.78 2.33 6.02 0.25 -4.94 117.38 115.59 3g0r n GLN 45 Ca -0.02 -0.78 -0.36 0.00 -0.01 0.00 0.00 57.00 55.83 3g0r n GLN 45 Cb 0.10 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.81 3g0r n GLN 45 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3g0r s LEU 46 N -2.33 4.32 0.67 1.08 1.43 -0.49 -5.01 118.68 118.35 3g0r s LEU 46 Ca 0.28 0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 53.62 3g0r s LEU 46 Cb 0.20 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3g0r s LEU 46 CO 0.46 0.30 1.25 -2.16 0.23 0.00 0.00 176.35 176.43 3g0r s PRO 47 N -0.42 2.48 0.34 1.29 0.04 -1.26 -4.75 135.00 132.71 3g0r s PRO 47 Ca 0.13 1.91 0.09 0.00 0.04 0.00 0.00 61.00 63.17 3g0r s PRO 47 Cb -0.12 -1.86 0.84 0.00 0.04 0.00 0.00 34.50 33.40 3g0r s PRO 47 CO 0.02 -1.61 1.80 -0.09 0.04 0.00 0.00 177.00 177.16 3g0r h ARG 48 N 0.30 0.65 0.00 4.56 2.43 -1.97 1.00 114.38 121.34 3g0r h ARG 48 Ca -0.50 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3g0r h ARG 48 Cb 1.31 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3g0r h ARG 48 CO 0.52 0.43 0.00 0.36 -1.51 0.00 0.00 179.97 179.77 3g0r n LYS 49 N -4.69 0.19 -0.04 0.20 2.85 -1.26 -1.97 118.16 113.44 3g0r n LYS 49 Ca 0.22 0.48 -0.17 0.00 -1.05 0.00 0.00 58.31 57.79 3g0r n LYS 49 Cb 0.62 -1.90 -0.14 0.00 -0.65 0.00 0.00 35.03 32.96 3g0r n LYS 49 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3g0r n LEU 50 N -2.26 2.11 0.21 -5.58 4.77 0.32 -4.20 117.00 112.36 3g0r n LEU 50 Ca 0.01 0.17 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 3g0r n LEU 50 Cb 0.19 -0.67 0.48 0.00 -2.33 0.00 0.00 43.42 41.09 3g0r n LEU 50 CO 0.18 0.74 0.83 0.03 -1.33 0.00 0.00 177.39 177.84 3g0r h ARG 51 N 0.04 0.00 -3.28 3.23 3.08 -1.31 -3.40 114.38 112.73 3g0r h ARG 51 Ca -0.44 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.04 3g0r h ARG 51 Cb 2.02 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 31.67 3g0r h ARG 51 CO 0.05 0.26 -0.76 -1.01 -1.07 0.00 0.00 179.97 177.43 3g0r s HIS 52 N -4.27 1.45 -0.27 3.04 3.76 -0.83 -4.56 115.29 113.61 3g0r s HIS 52 Ca -0.03 -1.69 -0.10 0.00 -0.15 0.00 0.00 55.06 53.09 3g0r s HIS 52 Cb 0.14 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 3g0r s HIS 52 CO 0.68 -0.85 0.17 0.08 -0.85 0.00 0.00 174.74 173.97 3g0r s VAL 53 N 1.48 5.21 -0.44 -0.90 1.01 -1.26 -4.56 120.40 120.94 3g0r s VAL 53 Ca 0.11 0.14 -0.44 0.00 0.00 0.00 0.00 61.98 61.79 3g0r s VAL 53 Cb -0.18 -3.47 -0.18 0.00 0.00 0.00 0.00 36.38 32.54 3g0r s VAL 53 CO -0.21 0.28 1.78 1.21 0.00 0.00 0.00 175.10 178.16 3g0r n GLU 54 N 4.89 0.32 0.00 2.72 4.07 -1.26 -1.20 120.64 130.18 3g0r n GLU 54 Ca -0.14 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 3g0r n GLU 54 Cb 0.52 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 3g0r n GLU 54 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3g0r n GLY 55 N 4.95 0.35 2.96 8.31 0.00 -1.26 -5.06 105.19 115.45 3g0r n GLY 55 Ca 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.21 3g0r n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g0r s TYR 56 N -2.00 0.55 0.12 1.61 2.02 -0.34 -4.28 117.35 115.03 3g0r s TYR 56 Ca 0.00 -0.11 -0.26 0.00 -0.37 0.00 0.00 57.07 56.34 3g0r s TYR 56 Cb 0.00 -0.37 -0.07 0.00 -0.40 0.00 0.00 41.96 41.12 3g0r s TYR 56 CO 0.00 -0.02 0.79 1.03 -1.57 0.00 0.00 175.55 175.77 3g0r s ARG 57 N -0.06 4.55 0.04 -0.62 1.81 0.09 -4.35 118.95 120.41 3g0r s ARG 57 Ca 0.01 1.15 0.05 0.00 -1.72 0.00 0.00 55.73 55.22 3g0r s ARG 57 Cb -0.03 -3.31 -0.03 0.00 -0.45 0.00 0.00 34.95 31.13 3g0r s ARG 57 CO -0.00 0.44 -0.12 -1.54 -0.68 0.00 0.00 175.30 173.41 3g0r s SER 58 N -0.68 4.27 -0.05 0.23 1.04 -1.26 -0.52 113.70 116.73 3g0r s SER 58 Ca 0.37 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.49 3g0r s SER 58 Cb -0.22 -0.86 0.03 0.00 0.10 0.00 0.00 66.02 65.07 3g0r s SER 58 CO 0.25 0.25 0.04 -0.36 0.98 0.00 0.00 173.24 174.41 3g0r s PHE 59 N -1.01 0.22 -0.07 5.02 0.40 0.31 -5.01 117.98 117.85 3g0r s PHE 59 Ca 0.17 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.68 3g0r s PHE 59 Cb -0.11 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 42.84 3g0r s PHE 59 CO 0.08 -0.22 -0.17 -0.06 0.70 0.00 0.00 175.22 175.55 3g0r s PHE 60 N 2.07 2.66 -0.55 0.36 0.40 -1.26 -0.87 117.98 120.78 3g0r s PHE 60 Ca 0.04 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.03 3g0r s PHE 60 Cb -0.12 -1.67 0.16 0.00 0.51 0.00 0.00 43.02 41.91 3g0r s PHE 60 CO -0.04 0.01 0.39 0.99 0.70 0.00 0.00 175.22 177.28 3g0r s THR 61 N -0.37 1.74 0.63 0.64 2.01 0.16 -4.99 115.64 115.46 3g0r s THR 61 Ca 0.04 -3.39 -0.13 0.00 0.31 0.00 0.00 61.69 58.52 3g0r s THR 61 Cb -0.12 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 3g0r s THR 61 CO 0.02 -1.06 1.04 -2.16 -0.69 0.00 0.00 174.62 171.77 3g0r s PRO 62 N -0.59 3.34 0.71 4.92 0.04 -1.26 -1.85 135.00 140.31 3g0r s PRO 62 Ca 0.26 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 3g0r s PRO 62 Cb -0.06 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.47 3g0r s PRO 62 CO -0.14 -0.78 1.09 0.00 0.04 0.00 0.00 177.00 177.21 3g0r s ALA 63 N -2.89 2.41 0.41 8.56 0.00 -1.25 -3.91 121.76 125.09 3g0r s ALA 63 Ca 0.59 0.34 0.09 0.00 0.00 0.00 0.00 51.96 52.98 3g0r s ALA 63 Cb -0.13 -3.27 0.86 0.00 0.00 0.00 0.00 23.12 20.58 3g0r s ALA 63 CO 0.47 -1.47 1.99 0.93 0.00 0.00 0.00 175.76 177.69 3g0r h GLU 64 N -0.59 0.34 -5.97 0.00 5.08 -1.48 -3.41 114.58 108.55 3g0r h GLU 64 Ca -0.45 -0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 57.28 3g0r h GLU 64 Cb 1.23 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 3g0r h GLU 64 CO 0.53 0.34 0.64 0.50 -1.00 0.00 0.00 179.01 180.02 3g0r s ARG 65 N -5.06 4.24 0.27 2.33 3.52 -1.26 -5.02 118.95 117.97 3g0r s ARG 65 Ca -0.07 1.18 -0.30 0.00 -0.13 0.00 0.00 55.73 56.42 3g0r s ARG 65 Cb 0.16 -3.64 -0.13 0.00 -1.56 0.00 0.00 34.95 29.78 3g0r s ARG 65 CO 0.73 -0.56 1.28 1.63 -0.81 0.00 0.00 175.30 177.56 3g0r n LYS 66 N 6.10 1.84 -0.91 5.12 4.01 -1.26 -1.93 118.16 131.13 3g0r n LYS 66 Ca 0.09 0.65 0.00 0.00 -0.51 0.00 0.00 58.31 58.54 3g0r n LYS 66 Cb 0.47 -2.22 0.00 0.00 -0.51 0.00 0.00 35.03 32.77 3g0r n LYS 66 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3g0r n GLY 67 N 1.61 0.23 3.41 0.72 0.00 -1.26 -4.98 105.19 104.91 3g0r n GLY 67 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3g0r n GLY 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g0r s TYR 68 N -1.55 2.78 0.00 1.61 5.04 -0.81 -4.67 117.35 119.75 3g0r s TYR 68 Ca 0.00 -0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 3g0r s TYR 68 Cb 0.00 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.53 3g0r s TYR 68 CO 0.00 -0.08 0.00 0.45 -1.34 0.00 0.00 175.55 174.58 3g0r n SER 69 N 3.13 0.00 0.00 4.32 2.88 -1.26 -3.87 113.62 118.82 3g0r n SER 69 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 3g0r n SER 69 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3g0r n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g0r n GLY 70 N 0.00 -0.95 3.43 0.46 0.00 -0.76 0.49 105.19 107.86 3g0r n GLY 70 Ca 0.00 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 3g0r n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g0r s VAL 71 N -1.80 2.30 0.04 1.61 -7.23 -0.44 -0.50 120.40 114.37 3g0r s VAL 71 Ca 0.00 -2.24 -0.03 0.00 -1.81 0.00 0.00 61.98 57.90 3g0r s VAL 71 Cb 0.00 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3g0r s VAL 71 CO 0.00 -0.34 0.04 0.00 -0.31 0.00 0.00 175.10 174.49 3g0r s ALA 72 N -2.30 0.11 -0.04 1.32 0.00 -0.54 -0.66 121.76 119.65 3g0r s ALA 72 Ca 0.25 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3g0r s ALA 72 Cb -0.05 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.32 3g0r s ALA 72 CO 0.12 -0.29 -0.01 1.41 0.00 0.00 0.00 175.76 176.98 3g0r s MET 73 N -2.65 0.54 -0.05 0.00 1.75 -0.05 0.69 119.30 119.53 3g0r s MET 73 Ca -0.05 0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.42 3g0r s MET 73 Cb -0.01 -0.70 -0.03 0.00 2.84 0.00 0.00 34.83 36.93 3g0r s MET 73 CO -0.05 -0.15 -0.01 0.71 -0.65 0.00 0.00 175.02 174.86 3g0r s TYR 74 N 1.19 3.08 -0.23 4.11 1.51 0.38 -0.53 117.35 126.86 3g0r s TYR 74 Ca -0.07 0.11 -0.09 0.00 -1.01 0.00 0.00 57.07 56.01 3g0r s TYR 74 Cb -0.14 -1.72 0.10 0.00 -0.11 0.00 0.00 41.96 40.09 3g0r s TYR 74 CO -0.02 0.44 0.50 -0.08 -1.11 0.00 0.00 175.55 175.28 3g0r s THR 75 N -0.95 -0.60 0.36 -0.71 -1.32 0.32 -1.07 115.64 111.66 3g0r s THR 75 Ca 0.16 0.10 0.05 0.00 -1.21 0.00 0.00 61.69 60.79 3g0r s THR 75 Cb -0.11 -0.77 0.21 0.00 -1.51 0.00 0.00 72.50 70.32 3g0r s THR 75 CO 0.05 0.04 1.96 0.11 -2.21 0.00 0.00 174.62 174.58 3g0r h LYS 76 N 7.90 0.59 -5.03 7.08 1.57 -1.54 0.29 116.57 127.42 3g0r h LYS 76 Ca -0.20 -0.08 -0.67 0.00 -1.87 0.00 0.00 60.65 57.83 3g0r h LYS 76 Cb 1.13 -0.11 -0.35 0.00 0.08 0.00 0.00 32.23 32.98 3g0r h LYS 76 CO 0.14 0.49 -0.84 0.08 -0.57 0.00 0.00 179.45 178.74 3g0r s VAL 77 N -5.29 2.15 0.48 0.50 1.01 -1.26 -4.67 120.40 113.33 3g0r s VAL 77 Ca -0.08 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 3g0r s VAL 77 Cb 0.17 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 3g0r s VAL 77 CO 0.75 0.47 1.38 -0.81 0.00 0.00 0.00 175.10 176.89 3g0r n PRO 78 N 4.61 2.00 -1.29 2.72 -0.04 -1.26 -4.99 135.00 136.75 3g0r n PRO 78 Ca -0.20 0.72 -0.29 0.00 -0.04 0.00 0.00 63.50 63.68 3g0r n PRO 78 Cb 0.49 -2.57 0.14 0.00 -0.04 0.00 0.00 33.50 31.52 3g0r n PRO 78 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3g0r s PRO 79 N -2.56 1.17 0.08 0.54 0.04 -1.26 -4.98 135.00 128.03 3g0r s PRO 79 Ca 0.65 0.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.22 3g0r s PRO 79 Cb -0.45 -1.81 -0.21 0.00 0.04 0.00 0.00 34.50 32.07 3g0r s PRO 79 CO 0.55 -2.26 1.22 0.77 0.04 0.00 0.00 177.00 177.32 3g0r h SER 80 N -1.56 0.92 -5.63 6.66 0.02 -0.82 -3.47 113.55 109.69 3g0r h SER 80 Ca -0.50 -0.70 -0.31 0.00 -0.84 0.00 0.00 61.79 59.43 3g0r h SER 80 Cb 1.30 -0.28 -0.14 0.00 0.14 0.00 0.00 62.40 63.41 3g0r h SER 80 CO 0.57 1.51 -0.58 -0.94 -1.14 0.00 0.00 176.83 176.24 3g0r s SER 81 N -7.25 0.63 -0.18 3.07 1.04 -1.26 -5.01 113.70 104.76 3g0r s SER 81 Ca -0.10 -1.50 -0.04 0.00 0.48 0.00 0.00 55.95 54.79 3g0r s SER 81 Cb 0.07 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.70 3g0r s SER 81 CO 0.92 -0.90 0.25 -0.22 0.98 0.00 0.00 173.24 174.26 3g0r s LEU 82 N -3.23 -0.22 -0.09 2.42 2.96 -1.26 -2.30 118.68 116.96 3g0r s LEU 82 Ca 0.39 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 3g0r s LEU 82 Cb 0.06 0.55 -0.04 0.00 0.50 0.00 0.00 46.19 47.26 3g0r s LEU 82 CO 0.17 -0.29 0.13 -0.60 -1.32 0.00 0.00 176.35 174.44 3g0r s ARG 83 N 2.38 3.39 -0.06 1.98 3.52 -0.07 -4.94 118.95 125.15 3g0r s ARG 83 Ca 0.06 -0.20 0.09 0.00 -0.13 0.00 0.00 55.73 55.54 3g0r s ARG 83 Cb -0.14 -3.13 0.14 0.00 -1.56 0.00 0.00 34.95 30.26 3g0r s ARG 83 CO -0.11 0.75 1.08 0.39 -0.81 0.00 0.00 175.30 176.60 3g0r n GLU 84 N 1.77 2.27 -3.45 5.12 1.02 -1.26 -0.34 120.64 125.76 3g0r n GLU 84 Ca -0.18 -2.00 -0.12 0.00 -0.02 0.00 0.00 57.16 54.84 3g0r n GLU 84 Cb 0.54 -1.24 -0.02 0.00 -0.02 0.00 0.00 31.44 30.70 3g0r n GLU 84 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3g0r s GLY 85 N -1.82 -0.58 0.00 0.62 0.00 -1.26 -4.51 107.32 99.77 3g0r s GLY 85 Ca 0.15 0.43 0.29 0.00 0.00 0.00 0.00 44.72 45.60 3g0r s GLY 85 CO 0.02 0.14 1.96 0.69 0.00 0.00 0.00 173.10 175.91 3g0r n PHE 86 N -0.38 0.00 -1.39 1.90 0.99 -1.26 -4.92 117.46 112.40 3g0r n PHE 86 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 3g0r n PHE 86 Cb 0.65 -0.34 0.00 0.00 -1.00 0.00 0.00 39.48 38.78 3g0r n PHE 86 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3g0r n GLY 87 N 1.37 0.82 2.73 1.37 0.00 -1.26 -5.02 105.19 105.20 3g0r n GLY 87 Ca 0.11 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 3g0r n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g0r s VAL 88 N -2.00 0.42 0.28 1.61 1.01 -1.26 -5.06 120.40 115.40 3g0r s VAL 88 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3g0r s VAL 88 Cb 0.00 -0.88 0.27 0.00 0.00 0.00 0.00 36.38 35.77 3g0r s VAL 88 CO 0.00 -0.13 1.81 -0.08 0.00 0.00 0.00 175.10 176.70 3g0r h GLU 89 N 8.28 0.85 0.00 2.72 4.81 -1.97 -0.51 114.58 128.76 3g0r h GLU 89 Ca -0.17 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3g0r h GLU 89 Cb 1.12 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 3g0r h GLU 89 CO 0.32 0.56 -0.13 0.07 -0.73 0.00 0.00 179.01 179.10 3g0r h ARG 90 N 0.88 0.00 0.00 1.92 0.11 -2.01 -2.60 114.38 112.67 3g0r h ARG 90 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 3g0r h ARG 90 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 3g0r h ARG 90 CO -0.30 0.13 -1.01 1.19 0.10 0.00 0.00 179.97 180.08 3g0r n PHE 91 N -3.32 0.38 0.99 4.08 0.99 -0.25 -4.45 117.46 115.88 3g0r n PHE 91 Ca -0.00 0.11 0.10 0.00 -0.00 0.00 0.00 57.45 57.66 3g0r n PHE 91 Cb 0.36 -0.54 -0.08 0.00 -1.00 0.00 0.00 39.48 38.22 3g0r n PHE 91 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3g0r n ASP 92 N -2.09 1.35 -0.59 4.37 8.00 -0.88 -4.30 116.55 122.41 3g0r n ASP 92 Ca 0.02 -1.18 0.07 0.00 0.71 0.00 0.00 54.79 54.41 3g0r n ASP 92 Cb 0.46 0.82 0.06 0.00 -0.02 0.00 0.00 41.12 42.44 3g0r n ASP 92 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3g0r n THR 93 N -0.99 0.03 0.24 -3.53 -2.24 -1.16 -4.53 114.28 102.10 3g0r n THR 93 Ca 0.06 -0.52 0.08 0.00 -2.27 0.00 0.00 64.05 61.40 3g0r n THR 93 Cb 0.38 1.28 0.24 0.00 -2.10 0.00 0.00 70.33 70.12 3g0r n THR 93 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g0r n GLU 94 N 0.81 2.45 -3.47 -0.78 1.02 -1.26 -1.25 120.64 118.16 3g0r n GLU 94 Ca 0.09 -1.93 -0.21 0.00 -0.02 0.00 0.00 57.16 55.09 3g0r n GLU 94 Cb 0.36 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.35 3g0r n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g0r n GLY 95 N 1.19 -0.39 0.03 0.62 0.00 -1.25 -3.69 105.19 101.70 3g0r n GLY 95 Ca 0.18 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.39 3g0r n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g0r n ARG 96 N -4.51 0.82 -4.27 1.61 1.74 -1.26 -1.33 116.66 109.45 3g0r n ARG 96 Ca -0.01 -0.10 -0.32 0.00 -0.77 0.00 0.00 57.85 56.65 3g0r n ARG 96 Cb 0.56 -1.38 -0.16 0.00 -1.02 0.00 0.00 32.46 30.46 3g0r n ARG 96 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g0r s ILE 97 N -2.87 1.86 -0.07 0.55 1.01 -1.26 -0.08 121.20 120.33 3g0r s ILE 97 Ca -0.06 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3g0r s ILE 97 Cb 0.08 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.88 3g0r s ILE 97 CO 0.64 0.51 -0.14 -1.10 0.00 0.00 0.00 174.94 174.85 3g0r s GLN 98 N 1.19 1.91 -0.31 2.79 -0.21 0.39 -4.34 119.66 121.08 3g0r s GLN 98 Ca 0.01 -0.48 0.01 0.00 0.02 0.00 0.00 55.36 54.92 3g0r s GLN 98 Cb -0.14 -1.55 0.09 0.00 1.00 0.00 0.00 33.01 32.41 3g0r s GLN 98 CO -0.08 0.04 0.06 0.42 -2.12 0.00 0.00 175.29 173.60 3g0r s ILE 99 N 0.65 1.54 -0.22 1.08 1.01 0.53 -0.35 121.20 125.45 3g0r s ILE 99 Ca -0.15 -1.76 -0.09 0.00 0.00 0.00 0.00 60.65 58.66 3g0r s ILE 99 Cb -0.16 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3g0r s ILE 99 CO 0.04 -0.56 0.11 0.00 0.00 0.00 0.00 174.94 174.53 3g0r s ALA 100 N 1.29 3.48 -0.41 9.38 0.00 -0.23 -0.89 121.76 134.39 3g0r s ALA 100 Ca 0.08 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.95 3g0r s ALA 100 Cb -0.18 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 20.81 3g0r s ALA 100 CO -0.15 -0.09 0.75 0.34 0.00 0.00 0.00 175.76 176.60 3g0r s ASP 101 N 0.87 6.45 -0.14 0.00 -1.08 -0.97 -0.16 116.67 121.64 3g0r s ASP 101 Ca 0.06 0.05 0.16 0.00 -0.52 0.00 0.00 52.55 52.30 3g0r s ASP 101 Cb -0.13 -2.37 0.61 0.00 -1.46 0.00 0.00 42.92 39.57 3g0r s ASP 101 CO 0.03 -0.80 1.53 0.49 0.52 0.00 0.00 175.17 176.93 3g0r n PHE 102 N 6.48 1.25 0.00 -5.34 3.01 -0.58 -0.01 117.46 122.28 3g0r n PHE 102 Ca 0.02 -0.70 0.00 0.00 1.01 0.00 0.00 57.45 57.78 3g0r n PHE 102 Cb 0.48 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 3g0r n PHE 102 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3g0r n ASP 103 N 0.42 0.00 -0.00 4.37 8.00 -1.26 -4.36 116.55 123.72 3g0r n ASP 103 Ca 0.22 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.86 3g0r n ASP 103 Cb 0.87 0.00 0.61 0.00 -0.02 0.00 0.00 41.12 42.58 3g0r n ASP 103 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3g0r n ASP 104 N 1.86 0.05 -3.61 -2.24 8.00 -1.26 -4.93 116.55 114.43 3g0r n ASP 104 Ca 0.00 0.35 -0.02 0.00 0.71 0.00 0.00 54.79 55.83 3g0r n ASP 104 Cb 0.00 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 40.68 3g0r n ASP 104 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3g0r s PHE 105 N -2.94 -0.08 -0.08 1.24 -0.71 -1.26 -4.66 117.98 109.48 3g0r s PHE 105 Ca 0.16 0.01 -0.10 0.00 -1.04 0.00 0.00 56.93 55.96 3g0r s PHE 105 Cb 0.19 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.48 3g0r s PHE 105 CO 0.53 -0.23 0.24 -0.51 -1.34 0.00 0.00 175.22 173.92 3g0r s LEU 106 N -2.55 4.41 -0.28 -1.99 1.43 0.79 -1.52 118.68 118.97 3g0r s LEU 106 Ca 0.12 0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 53.81 3g0r s LEU 106 Cb 0.02 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.98 3g0r s LEU 106 CO -0.04 0.36 0.05 -0.22 0.23 0.00 0.00 176.35 176.73 3g0r s LEU 107 N -0.96 3.68 -0.31 1.79 2.96 0.78 -0.97 118.68 125.65 3g0r s LEU 107 Ca 0.18 -0.72 -0.18 0.00 -0.22 0.00 0.00 54.13 53.19 3g0r s LEU 107 Cb -0.14 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 3g0r s LEU 107 CO 0.07 -0.17 0.53 -0.31 -1.32 0.00 0.00 176.35 175.15 3g0r s TYR 108 N 1.47 3.21 -0.38 5.38 1.51 1.00 -1.07 117.35 128.48 3g0r s TYR 108 Ca 0.02 0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 56.44 3g0r s TYR 108 Cb -0.17 -2.85 0.08 0.00 -0.11 0.00 0.00 41.96 38.90 3g0r s TYR 108 CO 0.01 -0.43 0.16 1.21 -1.11 0.00 0.00 175.55 175.39 3g0r s ASN 109 N 1.67 5.32 -0.06 2.29 2.47 0.53 -0.30 114.94 126.86 3g0r s ASN 109 Ca 0.20 -1.55 0.03 0.00 0.42 0.00 0.00 52.86 51.97 3g0r s ASN 109 Cb -0.15 -1.86 0.01 0.00 -1.45 0.00 0.00 41.25 37.79 3g0r s ASN 109 CO 0.12 -0.45 -0.16 -0.63 -3.72 0.00 0.00 177.10 172.26 3g0r s ILE 110 N 1.30 1.37 -0.50 -5.21 -1.09 -0.36 -0.46 121.20 116.26 3g0r s ILE 110 Ca 0.02 -0.64 -0.15 0.00 -2.23 0.00 0.00 60.65 57.65 3g0r s ILE 110 Cb -0.22 -1.21 0.10 0.00 -1.58 0.00 0.00 42.46 39.56 3g0r s ILE 110 CO -0.00 0.40 0.43 -0.47 -1.23 0.00 0.00 174.94 174.07 3g0r s TYR 111 N 0.39 3.27 0.31 3.97 5.04 0.89 -2.61 117.35 128.61 3g0r s TYR 111 Ca -0.11 -1.24 -0.25 0.00 -2.44 0.00 0.00 57.07 53.03 3g0r s TYR 111 Cb -0.14 -3.48 -0.10 0.00 0.35 0.00 0.00 41.96 38.59 3g0r s TYR 111 CO 0.04 -0.92 0.91 -0.06 -1.34 0.00 0.00 175.55 174.17 3g0r s PHE 112 N 1.58 3.69 0.34 4.97 0.40 0.10 -4.73 117.98 124.33 3g0r s PHE 112 Ca 0.04 1.72 -0.29 0.00 -0.60 0.00 0.00 56.93 57.80 3g0r s PHE 112 Cb -0.27 -2.87 -0.11 0.00 0.51 0.00 0.00 43.02 40.27 3g0r s PHE 112 CO 0.04 0.23 1.53 -2.30 0.70 0.00 0.00 175.22 175.42 3g0r n PRO 113 N 0.59 2.67 -1.88 0.24 -0.02 -1.26 -4.61 135.00 130.73 3g0r n PRO 113 Ca 0.01 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 62.02 3g0r n PRO 113 Cb 0.50 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 3g0r n PRO 113 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3g0r s ASN 114 N 0.12 6.50 0.00 2.55 2.47 -1.26 -4.80 114.94 120.52 3g0r s ASN 114 Ca 0.58 2.81 0.09 0.00 0.42 0.00 0.00 52.86 56.76 3g0r s ASN 114 Cb -0.49 -2.62 0.16 0.00 -1.45 0.00 0.00 41.25 36.85 3g0r s ASN 114 CO 0.57 -0.83 1.00 0.61 -3.72 0.00 0.00 177.10 174.73 3g0r n GLY 115 N 2.43 1.12 0.14 1.21 0.00 -1.26 -4.64 105.19 104.18 3g0r n GLY 115 Ca 0.09 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.85 3g0r n GLY 115 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3g0r h LYS 116 N 1.73 0.00 0.04 1.61 3.64 -1.93 -3.32 116.57 118.35 3g0r h LYS 116 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3g0r h LYS 116 Cb 0.54 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 3g0r h LYS 116 CO 0.00 0.50 -0.41 1.98 -2.27 0.00 0.00 179.45 179.25 3g0r h MET 117 N 0.00 -0.58 -3.69 1.90 4.05 -1.98 -3.48 114.93 111.16 3g0r h MET 117 Ca -0.01 0.04 -0.14 0.00 -0.28 0.00 0.00 59.70 59.32 3g0r h MET 117 Cb 1.36 0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 32.23 3g0r h MET 117 CO 0.07 -0.38 -0.05 -1.54 0.23 0.00 0.00 176.91 175.23 3g0r s SER 118 N -4.76 0.35 0.34 1.39 1.04 -1.26 -5.01 113.70 105.78 3g0r s SER 118 Ca -0.16 -1.20 0.13 0.00 0.48 0.00 0.00 55.95 55.20 3g0r s SER 118 Cb 0.08 0.68 0.59 0.00 0.10 0.00 0.00 66.02 67.47 3g0r s SER 118 CO 0.64 -1.33 1.74 -0.33 0.98 0.00 0.00 173.24 174.93 3g0r h GLU 119 N 2.13 0.00 -0.39 4.02 4.39 -1.92 -2.46 114.58 120.36 3g0r h GLU 119 Ca -0.28 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 3g0r h GLU 119 Cb 1.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 3g0r h GLU 119 CO 0.37 0.46 0.20 1.49 -1.16 0.00 0.00 179.01 180.38 3g0r h GLU 120 N 0.00 0.54 0.02 2.33 4.22 -1.95 -1.49 114.58 118.26 3g0r h GLU 120 Ca -0.00 -0.07 -0.24 0.00 0.08 0.00 0.00 59.36 59.13 3g0r h GLU 120 Cb 0.84 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3g0r h GLU 120 CO 0.06 0.46 -1.22 0.00 -2.18 0.00 0.00 179.01 176.13 3g0r h ARG 121 N 0.49 0.03 -0.34 1.92 2.47 -1.88 -2.37 114.38 114.71 3g0r h ARG 121 Ca 0.13 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 3g0r h ARG 121 Cb 0.08 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 3g0r h ARG 121 CO -0.02 0.90 0.07 1.25 0.56 0.00 0.00 179.97 182.73 3g0r h LEU 122 N 0.01 0.52 -1.16 3.04 7.12 -1.41 0.67 115.31 124.10 3g0r h LEU 122 Ca -0.10 -0.25 0.11 0.00 0.13 0.00 0.00 57.88 57.77 3g0r h LEU 122 Cb 1.86 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 41.78 3g0r h LEU 122 CO 0.12 0.64 0.59 0.50 -0.13 0.00 0.00 178.44 180.16 3g0r h LYS 123 N 0.39 0.86 -0.05 1.25 3.64 -1.32 -1.52 116.57 119.81 3g0r h LYS 123 Ca 0.10 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3g0r h LYS 123 Cb 0.33 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3g0r h LYS 123 CO 0.00 0.57 -0.21 -0.92 -2.27 0.00 0.00 179.45 176.62 3g0r h TYR 124 N 0.88 0.32 -0.53 1.91 3.20 -0.73 -1.94 116.97 120.08 3g0r h TYR 124 Ca 0.44 -0.14 0.10 0.00 3.14 0.00 0.00 58.73 62.28 3g0r h TYR 124 Cb 0.48 -0.05 -0.11 0.00 1.54 0.00 0.00 36.73 38.60 3g0r h TYR 124 CO -0.00 0.84 -0.26 -0.22 -1.64 0.00 0.00 178.16 176.88 3g0r h LYS 125 N -0.30 -0.12 -0.43 1.82 3.64 0.48 0.17 116.57 121.84 3g0r h LYS 125 Ca -0.01 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3g0r h LYS 125 Cb 0.86 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 3g0r h LYS 125 CO 0.05 -0.08 -0.13 -0.07 -2.27 0.00 0.00 179.45 176.94 3g0r h LEU 126 N -0.13 0.78 -0.63 5.20 3.38 -1.27 -0.32 115.31 122.32 3g0r h LEU 126 Ca 0.24 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3g0r h LEU 126 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3g0r h LEU 126 CO -0.61 0.92 -0.34 -0.33 0.09 0.00 0.00 178.44 178.17 3g0r h GLU 127 N 0.70 0.00 0.29 1.13 5.08 -0.92 -1.47 114.58 119.39 3g0r h GLU 127 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3g0r h GLU 127 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3g0r h GLU 127 CO 0.04 0.34 -0.14 0.35 -1.00 0.00 0.00 179.01 178.60 3g0r h PHE 128 N 0.00 -0.36 -0.77 4.33 3.57 -0.26 -1.93 116.94 121.52 3g0r h PHE 128 Ca -0.00 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.62 3g0r h PHE 128 Cb 1.02 0.12 -0.14 0.00 2.79 0.00 0.00 35.95 39.74 3g0r h PHE 128 CO 0.00 -0.03 -0.34 1.88 -2.23 0.00 0.00 178.31 177.59 3g0r h TYR 129 N -0.72 -0.91 -0.40 0.41 0.99 -0.89 0.23 116.97 115.67 3g0r h TYR 129 Ca -0.04 0.08 0.07 0.00 2.00 0.00 0.00 58.73 60.85 3g0r h TYR 129 Cb 0.49 0.51 -0.06 0.00 1.00 0.00 0.00 36.73 38.67 3g0r h TYR 129 CO 0.02 -0.39 0.03 -0.44 -0.00 0.00 0.00 178.16 177.38 3g0r h ASP 130 N -0.08 -0.11 -0.31 3.88 3.32 -1.29 -0.70 116.42 121.13 3g0r h ASP 130 Ca 0.30 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 3g0r h ASP 130 Cb 0.58 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3g0r h ASP 130 CO -0.82 -0.02 0.08 0.00 -1.72 0.00 0.00 179.24 176.76 3g0r h ALA 131 N 1.34 0.41 -0.03 3.45 0.00 -0.35 -2.66 119.26 121.41 3g0r h ALA 131 Ca 0.20 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3g0r h ALA 131 Cb 0.27 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3g0r h ALA 131 CO -0.30 0.07 -0.30 0.35 0.00 0.00 0.00 179.25 179.07 3g0r h PHE 132 N 0.34 -0.81 -0.53 0.00 3.57 -0.33 -2.35 116.94 116.83 3g0r h PHE 132 Ca 0.10 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.73 3g0r h PHE 132 Cb 0.29 0.36 -0.08 0.00 2.79 0.00 0.00 35.95 39.31 3g0r h PHE 132 CO 0.01 -0.39 0.06 1.25 -2.23 0.00 0.00 178.31 177.02 3g0r h LEU 133 N -0.43 -0.10 0.06 0.59 5.85 -1.01 0.85 115.31 121.13 3g0r h LEU 133 Ca 0.07 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3g0r h LEU 133 Cb 0.53 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3g0r h LEU 133 CO -0.27 -0.03 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.20 3g0r h GLU 134 N 0.19 -0.42 0.37 1.25 5.08 -1.36 0.39 114.58 120.07 3g0r h GLU 134 Ca 0.27 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3g0r h GLU 134 Cb 0.40 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3g0r h GLU 134 CO -0.40 -0.28 -0.44 0.22 -1.00 0.00 0.00 179.01 177.12 3g0r h ASP 135 N -0.44 -1.21 -0.48 1.42 3.58 -0.83 0.38 116.42 118.85 3g0r h ASP 135 Ca 0.05 0.11 0.07 0.00 0.42 0.00 0.00 57.03 57.67 3g0r h ASP 135 Cb 0.50 0.41 -0.06 0.00 1.72 0.00 0.00 39.33 41.90 3g0r h ASP 135 CO -0.20 -0.57 0.15 1.62 -2.88 0.00 0.00 179.24 177.36 3g0r h VAL 136 N -0.84 0.81 -0.39 2.25 3.04 -0.82 -1.60 116.25 118.70 3g0r h VAL 136 Ca -0.03 -0.11 0.01 0.00 -1.01 0.00 0.00 66.70 65.56 3g0r h VAL 136 Cb 0.76 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.49 3g0r h VAL 136 CO -0.10 0.06 0.24 0.78 -1.01 0.00 0.00 177.57 177.54 3g0r h ASN 137 N 0.31 0.41 -0.82 3.17 2.35 -0.69 0.12 115.58 120.43 3g0r h ASN 137 Ca 0.23 -0.00 0.10 0.00 -0.55 0.00 0.00 56.30 56.08 3g0r h ASN 137 Cb 0.25 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.45 3g0r h ASN 137 CO -0.25 0.29 0.46 -0.09 -1.65 0.00 0.00 177.43 176.19 3g0r h ARG 138 N 0.49 0.73 0.02 0.81 2.43 0.18 0.37 114.38 119.41 3g0r h ARG 138 Ca 0.15 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 59.03 3g0r h ARG 138 Cb -0.03 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3g0r h ARG 138 CO -0.05 0.48 -1.02 0.93 -1.51 0.00 0.00 179.97 178.80 3g0r h GLU 139 N 0.75 0.50 -0.32 0.20 4.39 -0.73 -2.39 114.58 116.98 3g0r h GLU 139 Ca 0.41 -0.57 -0.12 0.00 0.34 0.00 0.00 59.36 59.41 3g0r h GLU 139 Cb 0.42 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3g0r h GLU 139 CO -0.27 1.20 -0.28 -0.09 -1.16 0.00 0.00 179.01 178.42 3g0r h ARG 140 N 0.27 0.76 0.00 2.33 1.12 -0.49 -2.55 114.38 115.82 3g0r h ARG 140 Ca -0.11 -0.38 -0.06 0.00 -1.11 0.00 0.00 59.98 58.32 3g0r h ARG 140 Cb 1.67 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.63 3g0r h ARG 140 CO 0.19 1.00 -0.29 -0.44 -3.11 0.00 0.00 179.97 177.32 3g0r h ASP 141 N 0.52 0.00 0.98 -3.80 5.19 -0.29 -0.62 116.42 118.40 3g0r h ASP 141 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3g0r h ASP 141 Cb 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 3g0r h ASP 141 CO 0.07 0.29 0.00 -1.54 -3.12 0.00 0.00 179.24 174.94 3g0r n SER 142 N -4.13 0.50 0.00 6.45 3.41 -0.90 -4.89 113.62 114.06 3g0r n SER 142 Ca -0.02 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3g0r n SER 142 Cb 0.34 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3g0r n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g0r n GLY 143 N 0.67 1.87 3.81 5.00 0.00 -0.24 -5.10 105.19 111.19 3g0r n GLY 143 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3g0r n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g0r s ARG 144 N -0.22 3.17 0.03 1.61 1.81 -0.97 -5.02 118.95 119.36 3g0r s ARG 144 Ca 0.00 -0.41 -0.24 0.00 -1.72 0.00 0.00 55.73 53.36 3g0r s ARG 144 Cb 0.00 -2.93 -0.05 0.00 -0.45 0.00 0.00 34.95 31.51 3g0r s ARG 144 CO 0.00 0.67 0.74 -0.80 -0.68 0.00 0.00 175.30 175.24 3g0r s ASN 145 N -1.61 7.18 -0.08 0.23 0.01 -1.26 -4.28 114.94 115.13 3g0r s ASN 145 Ca 0.22 1.40 0.03 0.00 -0.71 0.00 0.00 52.86 53.80 3g0r s ASN 145 Cb -0.12 -2.45 0.01 0.00 0.41 0.00 0.00 41.25 39.09 3g0r s ASN 145 CO 0.12 0.02 -0.17 0.68 -1.51 0.00 0.00 177.10 176.25 3g0r s VAL 146 N -0.03 1.49 -0.16 1.60 -7.23 -1.26 -0.15 120.40 114.66 3g0r s VAL 146 Ca 0.38 -0.68 -0.04 0.00 -1.81 0.00 0.00 61.98 59.83 3g0r s VAL 146 Cb -0.20 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3g0r s VAL 146 CO 0.22 0.43 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.79 3g0r s ILE 147 N 0.60 4.00 -0.15 -0.62 1.01 -0.14 -2.47 121.20 123.42 3g0r s ILE 147 Ca -0.15 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.20 3g0r s ILE 147 Cb -0.16 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.55 3g0r s ILE 147 CO 0.05 0.48 -0.20 -0.63 0.00 0.00 0.00 174.94 174.64 3g0r s ILE 148 N 0.41 2.19 0.09 2.92 1.09 0.47 -0.00 121.20 128.37 3g0r s ILE 148 Ca -0.03 -0.93 0.04 0.00 -1.10 0.00 0.00 60.65 58.64 3g0r s ILE 148 Cb -0.14 -1.89 -0.03 0.00 -1.06 0.00 0.00 42.46 39.33 3g0r s ILE 148 CO 0.03 0.54 -0.11 0.00 -0.10 0.00 0.00 174.94 175.29 3g0r n GLY 150 N 0.76 -0.65 3.50 0.00 0.00 -1.13 -1.23 105.19 106.44 3g0r n GLY 150 Ca -0.17 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 3g0r n GLY 150 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g0r s ASN 151 N -2.73 6.31 0.10 1.61 2.47 -1.07 -2.36 114.94 119.26 3g0r s ASN 151 Ca 0.00 -0.50 0.27 0.00 0.42 0.00 0.00 52.86 53.06 3g0r s ASN 151 Cb 0.00 -2.39 0.97 0.00 -1.45 0.00 0.00 41.25 38.38 3g0r s ASN 151 CO 0.00 -1.12 1.81 0.49 -3.72 0.00 0.00 177.10 174.56 3g0r n PHE 152 N 7.06 0.43 -1.94 0.43 3.01 -0.22 -0.72 117.46 125.51 3g0r n PHE 152 Ca -0.01 0.12 -0.15 0.00 1.01 0.00 0.00 57.45 58.43 3g0r n PHE 152 Cb 0.47 -0.68 -0.03 0.00 -0.01 0.00 0.00 39.48 39.22 3g0r n PHE 152 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3g0r n ASN 153 N -1.86 -4.17 -3.72 4.37 3.02 -1.21 -4.83 115.26 106.86 3g0r n ASN 153 Ca 0.06 0.25 -0.15 0.00 -0.03 0.00 0.00 54.58 54.71 3g0r n ASN 153 Cb 0.38 -3.67 -0.15 0.00 -0.61 0.00 0.00 39.78 35.73 3g0r n ASN 153 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g0r s THR 154 N -2.49 -0.12 -0.12 3.41 2.01 -1.26 -4.07 115.64 113.00 3g0r s THR 154 Ca 0.00 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 3g0r s THR 154 Cb 0.00 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.28 3g0r s THR 154 CO 0.00 0.11 1.03 0.00 -0.69 0.00 0.00 174.62 175.06 3g0r s ALA 155 N 1.56 3.45 -0.03 7.40 0.00 -0.27 -4.59 121.76 129.28 3g0r s ALA 155 Ca -0.05 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.06 3g0r s ALA 155 Cb -0.12 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.39 3g0r s ALA 155 CO -0.05 -0.68 0.99 1.25 0.00 0.00 0.00 175.76 177.27 3g0r h HIS 156 N 7.17 -0.32 -2.30 0.00 2.76 -1.88 -3.44 115.15 117.15 3g0r h HIS 156 Ca -0.30 -0.01 -0.55 0.00 -2.20 0.00 0.00 60.37 57.32 3g0r h HIS 156 Cb 1.14 0.11 -0.14 0.00 1.55 0.00 0.00 27.41 30.07 3g0r h HIS 156 CO 0.72 0.05 -0.64 1.03 -1.30 0.00 0.00 177.93 177.79 3g0r s ARG 157 N -3.92 1.74 0.56 5.26 0.52 -1.26 -4.78 118.95 117.07 3g0r s ARG 157 Ca -0.13 -1.93 0.24 0.00 -0.52 0.00 0.00 55.73 53.39 3g0r s ARG 157 Cb 0.01 -1.31 1.58 0.00 0.52 0.00 0.00 34.95 35.75 3g0r s ARG 157 CO 0.48 -0.02 2.19 0.93 0.02 0.00 0.00 175.30 178.89 3g0r h GLU 158 N 2.05 0.00 0.00 3.54 5.08 -1.91 0.62 114.58 123.96 3g0r h GLU 158 Ca -0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3g0r h GLU 158 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3g0r h GLU 158 CO 0.72 0.00 -0.02 0.97 -1.00 0.00 0.00 179.01 179.68 3g0r h ILE 159 N 0.00 0.10 -0.16 3.13 2.10 -1.99 -3.15 117.51 117.54 3g0r h ILE 159 Ca 0.02 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.71 3g0r h ILE 159 Cb 0.11 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 3g0r h ILE 159 CO -0.00 0.02 0.00 0.47 -1.08 0.00 0.00 178.15 177.56 3g0r n ASP 160 N -3.19 1.76 -3.68 2.19 8.00 0.22 -4.27 116.55 117.58 3g0r n ASP 160 Ca -0.02 -1.71 -0.15 0.00 0.71 0.00 0.00 54.79 53.63 3g0r n ASP 160 Cb 0.18 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.09 3g0r n ASP 160 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3g0r s LEU 161 N -1.61 0.15 0.43 0.64 2.34 -1.19 0.62 118.68 120.06 3g0r s LEU 161 Ca 0.33 0.62 0.12 0.00 0.06 0.00 0.00 54.13 55.26 3g0r s LEU 161 Cb 0.18 1.78 0.95 0.00 -0.56 0.00 0.00 46.19 48.54 3g0r s LEU 161 CO 0.27 -0.38 2.01 0.00 -1.06 0.00 0.00 176.35 177.19 3g0r h ALA 162 N 4.24 1.69 -2.20 1.48 0.00 -1.62 -3.34 119.26 119.51 3g0r h ALA 162 Ca -0.28 -0.12 -0.59 0.00 0.00 0.00 0.00 54.91 53.91 3g0r h ALA 162 Cb 1.17 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.48 3g0r h ALA 162 CO 0.31 0.23 -0.71 0.54 0.00 0.00 0.00 179.25 179.63 3g0r n ARG 163 N -4.38 2.07 0.04 0.00 5.12 -1.26 -4.95 116.66 113.30 3g0r n ARG 163 Ca -0.01 -4.33 0.00 0.00 -1.93 0.00 0.00 57.85 51.58 3g0r n ARG 163 Cb 0.19 -2.03 0.32 0.00 -1.16 0.00 0.00 32.46 29.78 3g0r n ARG 163 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3g0r h PRO 164 N 4.23 0.42 0.14 5.56 0.11 -1.83 -3.11 132.00 137.52 3g0r h PRO 164 Ca 0.17 -0.10 -0.19 0.00 0.11 0.00 0.00 66.00 65.99 3g0r h PRO 164 Cb 0.72 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.79 3g0r h PRO 164 CO 0.74 0.51 -0.85 0.87 -0.21 0.00 0.00 178.00 179.07 3g0r h LYS 165 N 0.40 0.33 0.00 1.05 1.79 -1.95 -3.26 116.57 114.92 3g0r h LYS 165 Ca 0.08 -0.54 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3g0r h LYS 165 Cb 0.38 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3g0r h LYS 165 CO 0.02 1.25 0.00 1.05 -1.08 0.00 0.00 179.45 180.69 3g0r h GLU 166 N -0.31 0.00 -0.65 3.15 9.09 -2.00 -3.23 114.58 120.62 3g0r h GLU 166 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.26 3g0r h GLU 166 Cb 1.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.76 3g0r h GLU 166 CO 0.16 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.31 3g0r n ASN 167 N -3.02 4.32 0.22 3.06 4.13 -1.18 -4.45 115.26 118.34 3g0r n ASN 167 Ca 0.00 -2.26 0.15 0.00 1.68 0.00 0.00 54.58 54.15 3g0r n ASN 167 Cb 0.27 -0.52 0.68 0.00 -1.54 0.00 0.00 39.78 38.67 3g0r n ASN 167 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3g0r h SER 168 N 3.97 0.00 -0.14 6.41 4.64 -1.60 -2.31 113.55 124.52 3g0r h SER 168 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g0r h SER 168 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3g0r h SER 168 CO 0.13 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.63 3g0r n ASN 169 N -2.70 2.33 -4.82 4.97 6.94 -1.26 -4.48 115.26 116.25 3g0r n ASN 169 Ca 0.00 -1.67 -0.36 0.00 -0.02 0.00 0.00 54.58 52.53 3g0r n ASN 169 Cb 0.22 -0.09 -0.07 0.00 -2.36 0.00 0.00 39.78 37.48 3g0r n ASN 169 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3g0r s VAL 170 N -0.98 5.25 0.15 3.53 1.01 -0.87 -4.98 120.40 123.50 3g0r s VAL 170 Ca 0.17 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.95 3g0r s VAL 170 Cb 0.11 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 3g0r s VAL 170 CO 0.15 0.59 1.66 -0.55 0.00 0.00 0.00 175.10 176.95 3g0r s SER 171 N -0.78 6.52 0.00 3.32 0.15 -1.26 -1.91 113.70 119.73 3g0r s SER 171 Ca 0.13 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.45 3g0r s SER 171 Cb -0.12 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3g0r s SER 171 CO 0.03 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.18 3g0r n GLY 172 N 3.92 2.14 1.84 9.45 0.00 -1.26 -4.71 105.19 116.58 3g0r n GLY 172 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 3g0r n GLY 172 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g0r n PHE 173 N 0.00 -1.04 -2.81 1.61 7.35 -0.80 -1.11 117.46 120.66 3g0r n PHE 173 Ca 0.00 -1.11 -0.33 0.00 -0.76 0.00 0.00 57.45 55.25 3g0r n PHE 173 Cb 0.00 1.04 -0.07 0.00 0.35 0.00 0.00 39.48 40.80 3g0r n PHE 173 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3g0r s LEU 174 N -2.07 3.98 0.30 -2.13 1.43 -1.05 -4.39 118.68 114.75 3g0r s LEU 174 Ca 0.05 1.72 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 3g0r s LEU 174 Cb 0.23 -4.48 0.75 0.00 0.03 0.00 0.00 46.19 42.71 3g0r s LEU 174 CO -0.07 -0.34 1.73 -0.65 0.23 0.00 0.00 176.35 177.25 3g0r h PRO 175 N 2.04 0.54 -0.06 1.29 0.11 -1.93 -0.97 132.00 133.01 3g0r h PRO 175 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3g0r h PRO 175 Cb 1.18 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3g0r h PRO 175 CO 0.61 0.36 0.01 -0.39 -0.21 0.00 0.00 178.00 178.38 3g0r h VAL 176 N 0.56 1.04 0.00 3.15 -1.51 -1.97 -1.06 116.25 116.45 3g0r h VAL 176 Ca 0.57 -0.13 -0.12 0.00 -1.23 0.00 0.00 66.70 65.79 3g0r h VAL 176 Cb 1.02 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 3g0r h VAL 176 CO -0.46 0.04 -0.71 -0.33 -1.23 0.00 0.00 177.57 174.89 3g0r h GLU 177 N 0.08 0.00 -0.86 5.19 5.08 -1.61 -2.76 114.58 119.70 3g0r h GLU 177 Ca 0.02 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 3g0r h GLU 177 Cb 0.05 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.20 3g0r h GLU 177 CO -0.00 0.91 0.46 0.00 -1.00 0.00 0.00 179.01 179.38 3g0r h ARG 178 N -1.00 0.64 0.00 2.33 3.08 -1.34 -1.69 114.38 116.40 3g0r h ARG 178 Ca -0.19 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 3g0r h ARG 178 Cb 1.10 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3g0r h ARG 178 CO -0.11 0.42 -0.33 0.00 -1.07 0.00 0.00 179.97 178.88 3g0r h ALA 179 N 1.56 1.06 -0.21 0.04 0.00 -1.27 -1.85 119.26 118.58 3g0r h ALA 179 Ca 0.47 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3g0r h ALA 179 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3g0r h ALA 179 CO -0.35 0.41 -0.48 2.35 0.00 0.00 0.00 179.25 181.18 3g0r h TRP 180 N 0.00 0.67 -0.37 0.00 7.01 -1.01 -2.36 115.95 119.89 3g0r h TRP 180 Ca -0.00 -0.22 -0.11 0.00 2.11 0.00 0.00 58.89 60.67 3g0r h TRP 180 Cb 0.80 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.72 3g0r h TRP 180 CO 0.00 0.92 -0.19 0.82 -2.79 0.00 0.00 178.44 177.20 3g0r h ILE 181 N 0.44 1.28 -0.69 2.65 2.04 -0.96 0.25 117.51 122.52 3g0r h ILE 181 Ca 0.02 -1.32 0.15 0.00 1.00 0.00 0.00 64.86 64.71 3g0r h ILE 181 Cb 1.00 1.34 -0.11 0.00 -0.74 0.00 0.00 36.82 38.31 3g0r h ILE 181 CO 0.09 0.44 0.08 0.44 0.00 0.00 0.00 178.15 179.20 3g0r h ASP 182 N 0.57 -0.16 -0.44 1.72 3.32 -1.41 -0.65 116.42 119.37 3g0r h ASP 182 Ca 0.08 0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 3g0r h ASP 182 Cb 0.74 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3g0r h ASP 182 CO 0.06 -0.09 0.03 0.50 -1.72 0.00 0.00 179.24 178.02 3g0r h LYS 183 N 0.18 0.75 0.66 3.56 3.64 -1.04 -0.87 116.57 123.45 3g0r h LYS 183 Ca 0.38 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3g0r h LYS 183 Cb 0.64 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3g0r h LYS 183 CO -0.54 0.80 -0.36 0.35 -2.27 0.00 0.00 179.45 177.44 3g0r h PHE 184 N 0.60 -0.93 -0.70 1.91 3.57 -0.63 -2.22 116.94 118.54 3g0r h PHE 184 Ca 0.13 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.75 3g0r h PHE 184 Cb 0.44 0.32 -0.10 0.00 2.79 0.00 0.00 35.95 39.40 3g0r h PHE 184 CO 0.03 -0.56 0.18 0.82 -2.23 0.00 0.00 178.31 176.56 3g0r h ILE 185 N -0.94 0.58 0.00 1.41 2.04 -1.09 -0.54 117.51 118.97 3g0r h ILE 185 Ca -0.09 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3g0r h ILE 185 Cb 0.74 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3g0r h ILE 185 CO 0.12 0.05 0.00 1.21 0.00 0.00 0.00 178.15 179.53 3g0r n GLU 186 N -5.12 0.25 -0.03 2.37 4.07 -0.34 -1.21 120.64 120.63 3g0r n GLU 186 Ca 0.13 0.13 0.13 0.00 -0.06 0.00 0.00 57.16 57.48 3g0r n GLU 186 Cb 0.41 -1.50 0.36 0.00 -0.06 0.00 0.00 31.44 30.65 3g0r n GLU 186 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3g0r n ASN 187 N -1.24 2.11 0.00 4.31 3.02 -0.21 -4.92 115.26 118.32 3g0r n ASN 187 Ca 0.07 -1.71 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 3g0r n ASN 187 Cb 0.10 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 3g0r n ASN 187 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g0r n GLY 188 N 1.24 0.91 3.18 7.41 0.00 -0.35 -5.02 105.19 112.56 3g0r n GLY 188 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 3g0r n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g0r s TYR 189 N -1.69 1.07 -0.09 1.61 1.51 -0.86 -0.94 117.35 117.96 3g0r s TYR 189 Ca 0.00 -0.67 0.01 0.00 -1.01 0.00 0.00 57.07 55.40 3g0r s TYR 189 Cb 0.00 -0.58 0.02 0.00 -0.11 0.00 0.00 41.96 41.29 3g0r s TYR 189 CO 0.00 0.00 -0.10 0.08 -1.11 0.00 0.00 175.55 174.42 3g0r s VAL 190 N -2.54 1.09 -0.94 0.71 1.01 0.01 -4.40 120.40 115.35 3g0r s VAL 190 Ca 0.06 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 3g0r s VAL 190 Cb -0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3g0r s VAL 190 CO -0.00 0.36 1.95 -0.62 0.00 0.00 0.00 175.10 176.79 3g0r s ASP 191 N 1.18 5.11 0.43 3.32 -1.08 -1.26 -2.43 116.67 121.94 3g0r s ASP 191 Ca -0.05 -0.79 0.20 0.00 -0.52 0.00 0.00 52.55 51.39 3g0r s ASP 191 Cb -0.14 -2.56 1.15 0.00 -1.46 0.00 0.00 42.92 39.90 3g0r s ASP 191 CO -0.02 -2.80 1.85 0.71 0.52 0.00 0.00 175.17 175.42 3g0r h THR 192 N 7.13 0.63 -0.81 1.71 1.35 -1.66 -0.12 112.91 121.15 3g0r h THR 192 Ca 0.11 -0.12 0.02 0.00 -0.55 0.00 0.00 66.41 65.87 3g0r h THR 192 Cb 1.00 0.26 -0.04 0.00 -1.73 0.00 0.00 68.15 67.64 3g0r h THR 192 CO 1.21 0.06 0.53 0.15 -0.25 0.00 0.00 175.52 177.22 3g0r h PHE 193 N 0.34 1.00 0.00 4.73 3.57 -1.83 -2.60 116.94 122.15 3g0r h PHE 193 Ca 0.48 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.01 3g0r h PHE 193 Cb 1.31 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3g0r h PHE 193 CO -0.00 0.60 0.00 0.54 -2.23 0.00 0.00 178.31 177.22 3g0r n ARG 194 N -4.55 0.77 0.13 1.11 5.12 -0.06 -1.22 116.66 117.96 3g0r n ARG 194 Ca 0.09 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 56.00 3g0r n ARG 194 Cb 0.05 -1.50 0.24 0.00 -1.16 0.00 0.00 32.46 30.09 3g0r n ARG 194 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 3g0r h MET 195 N 0.00 0.10 0.00 5.56 2.86 -1.41 -3.37 114.93 118.66 3g0r h MET 195 Ca 0.00 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 3g0r h MET 195 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3g0r h MET 195 CO 0.00 0.56 -1.45 1.19 1.06 0.00 0.00 176.91 178.27 3g0r n PHE 196 N -3.97 0.00 -3.61 -0.22 3.72 -0.70 -5.00 117.46 107.68 3g0r n PHE 196 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 3g0r n PHE 196 Cb 0.51 -0.27 -0.14 0.00 -0.94 0.00 0.00 39.48 38.64 3g0r n PHE 196 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3g0r s ASN 197 N -3.34 0.86 -0.16 4.37 3.84 -0.36 -4.99 114.94 115.16 3g0r s ASN 197 Ca -0.03 0.22 0.18 0.00 0.21 0.00 0.00 52.86 53.43 3g0r s ASN 197 Cb 0.04 0.42 0.40 0.00 -0.55 0.00 0.00 41.25 41.56 3g0r s ASN 197 CO 0.35 -0.27 1.27 -1.54 -2.79 0.00 0.00 177.10 174.12 3g0r n SER 198 N 5.33 2.97 -4.77 -4.21 3.41 -1.26 -4.06 113.62 111.03 3g0r n SER 198 Ca -0.05 -3.10 -0.38 0.00 -0.26 0.00 0.00 58.87 55.08 3g0r n SER 198 Cb 0.50 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3g0r n SER 198 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3g0r s ASP 199 N -2.49 6.72 0.99 4.04 -0.00 -1.26 -5.08 116.67 119.58 3g0r s ASP 199 Ca 0.37 2.18 -0.05 0.00 -0.00 0.00 0.00 52.55 55.05 3g0r s ASP 199 Cb 0.31 -2.60 0.07 0.00 -0.00 0.00 0.00 42.92 40.70 3g0r s ASP 199 CO 0.05 -0.53 0.42 -0.81 -0.00 0.00 0.00 175.17 174.31 3g0r n PRO 200 N 0.12 -0.39 -1.11 8.23 -0.04 -1.26 -4.30 135.00 136.24 3g0r n PRO 200 Ca 0.04 -0.67 -0.04 0.00 -0.04 0.00 0.00 63.50 62.80 3g0r n PRO 200 Cb 0.48 -0.43 -0.02 0.00 -0.04 0.00 0.00 33.50 33.49 3g0r n PRO 200 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g0r n GLY 201 N 2.22 0.46 3.30 0.55 0.00 -1.26 -4.96 105.19 105.50 3g0r n GLY 201 Ca 0.05 -0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3g0r n GLY 201 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g0r s GLN 202 N -2.00 3.13 0.23 1.61 -1.52 -1.26 -5.05 119.66 114.80 3g0r s GLN 202 Ca 0.00 -1.99 0.09 0.00 -1.95 0.00 0.00 55.36 51.51 3g0r s GLN 202 Cb 0.00 -4.29 -0.05 0.00 -0.22 0.00 0.00 33.01 28.45 3g0r s GLN 202 CO 0.00 -1.30 -0.16 0.71 -0.25 0.00 0.00 175.29 174.30 3g0r s TYR 203 N 1.04 1.91 0.00 0.91 4.12 -1.26 -4.36 117.35 119.71 3g0r s TYR 203 Ca 0.09 -0.50 0.00 0.00 0.02 0.00 0.00 57.07 56.67 3g0r s TYR 203 Cb -0.23 -0.88 0.00 0.00 -1.52 0.00 0.00 41.96 39.34 3g0r s TYR 203 CO -0.02 0.47 0.00 -2.37 0.02 0.00 0.00 175.55 173.65 3g0r n THR 204 N -0.47 0.00 -4.12 -0.71 5.66 -0.25 -4.88 114.28 109.51 3g0r n THR 204 Ca -0.07 -0.24 -0.15 0.00 -3.05 0.00 0.00 64.05 60.54 3g0r n THR 204 Cb 0.60 0.76 -0.13 0.00 -1.55 0.00 0.00 70.33 70.02 3g0r n THR 204 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3g0r s TRP 205 N -1.10 0.53 -0.00 1.09 -0.00 -0.28 -0.47 118.94 118.70 3g0r s TRP 205 Ca 0.00 -0.22 -0.04 0.00 -0.00 0.00 0.00 56.10 55.84 3g0r s TRP 205 Cb 0.00 -0.33 -0.00 0.00 -0.00 0.00 0.00 33.47 33.14 3g0r s TRP 205 CO 0.00 -0.03 0.07 -1.58 -0.00 0.00 0.00 176.95 175.40 3g0r s TRP 206 N -0.53 0.08 0.52 5.86 0.51 -0.88 -0.35 118.94 124.15 3g0r s TRP 206 Ca -0.02 -0.17 -0.22 0.00 -2.12 0.00 0.00 56.10 53.57 3g0r s TRP 206 Cb -0.05 -0.07 -0.07 0.00 -0.81 0.00 0.00 33.47 32.47 3g0r s TRP 206 CO -0.00 -0.19 1.20 0.43 -0.51 0.00 0.00 176.95 177.88 3g0r n SER 207 N 1.94 2.01 -0.15 2.95 7.64 -1.26 -4.79 113.62 121.96 3g0r n SER 207 Ca -0.20 0.97 -0.12 0.00 1.01 0.00 0.00 58.87 60.53 3g0r n SER 207 Cb 0.56 -1.49 -0.01 0.00 -1.01 0.00 0.00 64.21 62.27 3g0r n SER 207 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3g0r h TYR 208 N 1.36 1.11 -3.75 1.43 -1.99 -1.99 -3.30 116.97 109.84 3g0r h TYR 208 Ca -0.49 -0.28 -0.47 0.00 2.00 0.00 0.00 58.73 59.50 3g0r h TYR 208 Cb 1.32 -0.26 0.18 0.00 2.00 0.00 0.00 36.73 39.98 3g0r h TYR 208 CO 0.44 1.09 0.14 -0.98 -0.00 0.00 0.00 178.16 178.85 3g0r s ARG 209 N -4.65 0.18 -1.22 4.88 1.70 -1.26 -4.08 118.95 114.51 3g0r s ARG 209 Ca -0.11 0.93 0.00 0.00 -0.47 0.00 0.00 55.73 56.07 3g0r s ARG 209 Cb 0.12 -1.68 0.00 0.00 -0.57 0.00 0.00 34.95 32.82 3g0r s ARG 209 CO 0.87 -3.01 0.00 2.41 -1.08 0.00 0.00 175.30 174.49 3g0r n THR 210 N -4.43 -0.52 -3.65 4.99 -1.04 -1.26 -1.44 114.28 106.93 3g0r n THR 210 Ca 0.06 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.93 3g0r n THR 210 Cb 0.54 -1.81 -0.00 0.00 -1.82 0.00 0.00 70.33 67.24 3g0r n THR 210 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3g0r n ARG 211 N -2.65 -0.83 0.26 -2.82 1.85 -1.26 -4.83 116.66 106.38 3g0r n ARG 211 Ca -0.16 -0.24 0.09 0.00 -1.00 0.00 0.00 57.85 56.54 3g0r n ARG 211 Cb 0.59 -0.42 0.68 0.00 -1.05 0.00 0.00 32.46 32.26 3g0r n ARG 211 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3g0r h ALA 212 N 2.39 1.91 -0.14 2.89 0.00 -1.33 -2.70 119.26 122.28 3g0r h ALA 212 Ca -0.23 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 3g0r h ALA 212 Cb 0.46 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3g0r h ALA 212 CO 0.19 0.01 -0.56 -0.09 0.00 0.00 0.00 179.25 178.80 3g0r h ARG 213 N 0.00 0.63 -0.65 0.00 2.43 -1.85 0.24 114.38 115.17 3g0r h ARG 213 Ca -0.00 -0.49 -0.08 0.00 -0.81 0.00 0.00 59.98 58.60 3g0r h ARG 213 Cb 0.02 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3g0r h ARG 213 CO 0.00 1.11 0.07 0.93 -1.51 0.00 0.00 179.97 180.58 3g0r h GLU 214 N 0.29 1.10 0.00 0.20 3.07 -1.87 -0.96 114.58 116.41 3g0r h GLU 214 Ca -0.03 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3g0r h GLU 214 Cb 1.20 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3g0r h GLU 214 CO 0.12 1.02 0.00 0.54 -1.40 0.00 0.00 179.01 179.29 3g0r n ARG 215 N -4.20 0.04 -3.72 2.33 1.74 -1.10 -4.93 116.66 106.82 3g0r n ARG 215 Ca 0.04 0.18 -0.28 0.00 -0.77 0.00 0.00 57.85 57.02 3g0r n ARG 215 Cb 0.31 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.27 3g0r n ARG 215 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3g0r n ASN 216 N -1.47 -4.79 -4.40 0.55 5.15 -0.37 -4.94 115.26 104.99 3g0r n ASN 216 Ca 0.05 -0.65 -0.45 0.00 -0.60 0.00 0.00 54.58 52.93 3g0r n ASN 216 Cb 0.20 -3.85 -0.02 0.00 -0.53 0.00 0.00 39.78 35.58 3g0r n ASN 216 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3g0r s VAL 217 N -3.22 5.15 0.14 3.44 1.01 -0.00 -4.87 120.40 122.06 3g0r s VAL 217 Ca 0.58 -2.13 0.01 0.00 0.00 0.00 0.00 61.98 60.44 3g0r s VAL 217 Cb -0.29 -4.68 -0.00 0.00 0.00 0.00 0.00 36.38 31.40 3g0r s VAL 217 CO 0.72 -1.34 0.04 0.61 0.00 0.00 0.00 175.10 175.13 3g0r n GLY 218 N 4.62 3.84 2.90 4.51 0.00 -1.26 -4.55 105.19 115.25 3g0r n GLY 218 Ca 0.22 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 3g0r n GLY 218 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3g0r s TRP 219 N -2.00 0.21 -0.63 1.61 0.52 0.53 -1.76 118.94 117.41 3g0r s TRP 219 Ca 0.06 -0.03 -0.25 0.00 0.02 0.00 0.00 56.10 55.90 3g0r s TRP 219 Cb 0.00 -0.15 0.04 0.00 -1.15 0.00 0.00 33.47 32.22 3g0r s TRP 219 CO 0.04 -0.01 1.07 0.50 0.02 0.00 0.00 176.95 178.57 3g0r s ARG 220 N 0.04 3.26 -0.02 4.98 3.52 0.20 -1.09 118.95 129.85 3g0r s ARG 220 Ca -0.00 -0.33 0.12 0.00 -0.13 0.00 0.00 55.73 55.39 3g0r s ARG 220 Cb -0.02 -4.13 -0.18 0.00 -1.56 0.00 0.00 34.95 29.06 3g0r s ARG 220 CO -0.00 -1.77 0.25 1.28 -0.81 0.00 0.00 175.30 174.25 3g0r n LEU 221 N 8.16 0.00 -4.51 -0.88 4.77 -1.26 -3.71 117.00 119.57 3g0r n LEU 221 Ca 0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.66 3g0r n LEU 221 Cb 0.48 0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 3g0r n LEU 221 CO 0.67 0.01 -0.36 -1.81 -1.33 0.00 0.00 177.39 174.57 3g0r s ASP 222 N -3.40 4.71 0.10 -1.43 1.01 -1.26 -1.05 116.67 115.34 3g0r s ASP 222 Ca -0.04 -0.12 0.04 0.00 0.71 0.00 0.00 52.55 53.14 3g0r s ASP 222 Cb 0.07 -1.65 -0.03 0.00 1.01 0.00 0.00 42.92 42.32 3g0r s ASP 222 CO 0.49 0.21 -0.11 -0.31 0.21 0.00 0.00 175.17 175.66 3g0r s TYR 223 N 0.11 1.13 -0.22 4.23 1.51 -0.99 -4.97 117.35 118.15 3g0r s TYR 223 Ca -0.01 -0.60 -0.02 0.00 -1.01 0.00 0.00 57.07 55.43 3g0r s TYR 223 Cb -0.14 -0.62 0.01 0.00 -0.11 0.00 0.00 41.96 41.10 3g0r s TYR 223 CO 0.03 0.04 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.36 3g0r s PHE 224 N -2.14 2.94 0.12 2.71 0.40 -1.26 -2.83 117.98 117.92 3g0r s PHE 224 Ca 0.04 -1.24 0.07 0.00 -0.60 0.00 0.00 56.93 55.20 3g0r s PHE 224 Cb -0.05 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 3g0r s PHE 224 CO 0.01 -0.65 -0.10 -0.06 0.70 0.00 0.00 175.22 175.12 3g0r s PHE 225 N 1.40 2.73 0.05 0.36 0.40 0.73 -1.56 117.98 122.09 3g0r s PHE 225 Ca 0.04 -0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.23 3g0r s PHE 225 Cb -0.14 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 3g0r s PHE 225 CO -0.06 0.44 -0.07 0.14 0.70 0.00 0.00 175.22 176.37 3g0r s VAL 226 N -1.29 0.49 0.58 -0.44 -7.23 -1.02 -0.40 120.40 111.09 3g0r s VAL 226 Ca 0.22 -1.24 -0.20 0.00 -1.81 0.00 0.00 61.98 58.95 3g0r s VAL 226 Cb -0.11 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 3g0r s VAL 226 CO 0.14 -0.51 1.31 0.54 -0.31 0.00 0.00 175.10 176.27 3g0r s ASN 227 N -1.87 5.08 0.41 4.85 4.22 -1.03 -0.81 114.94 125.78 3g0r s ASN 227 Ca -0.06 2.66 0.15 0.00 -2.14 0.00 0.00 52.86 53.47 3g0r s ASN 227 Cb -0.07 -2.63 0.87 0.00 1.28 0.00 0.00 41.25 40.71 3g0r s ASN 227 CO -0.01 -1.69 1.88 1.05 -2.04 0.00 0.00 177.10 176.29 3g0r h GLU 228 N 1.13 0.00 0.00 3.55 4.11 -1.37 -1.91 114.58 120.08 3g0r h GLU 228 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 3g0r h GLU 228 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3g0r h GLU 228 CO 0.56 0.30 0.00 0.93 0.07 0.00 0.00 179.01 180.87 3g0r h GLU 229 N 0.00 0.00 0.00 1.06 3.07 -1.91 -2.67 114.58 114.13 3g0r h GLU 229 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3g0r h GLU 229 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3g0r h GLU 229 CO 0.04 0.00 -0.62 0.34 -1.40 0.00 0.00 179.01 177.37 3g0r n PHE 230 N -2.37 0.00 0.24 4.33 7.35 -0.72 -4.66 117.46 121.62 3g0r n PHE 230 Ca -0.02 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.82 3g0r n PHE 230 Cb 0.04 -0.02 0.80 0.00 0.35 0.00 0.00 39.48 40.66 3g0r n PHE 230 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 3g0r h LYS 231 N 0.00 0.00 -0.03 -4.13 2.10 -1.49 -1.28 116.57 111.74 3g0r h LYS 231 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3g0r h LYS 231 Cb 0.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 3g0r h LYS 231 CO 0.00 0.00 -0.06 0.78 -2.00 0.00 0.00 179.45 178.17 3g0r h GLY 232 N 0.00 0.05 1.82 0.07 0.00 -1.83 -2.08 103.07 101.09 3g0r h GLY 232 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3g0r h GLY 232 CO -0.00 0.02 0.00 0.28 0.00 0.00 0.00 176.54 176.84 3g0r n LYS 233 N -4.44 0.15 -3.28 4.80 5.02 -0.48 -4.78 118.16 115.15 3g0r n LYS 233 Ca -0.02 0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 55.96 3g0r n LYS 233 Cb 0.16 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 3g0r n LYS 233 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g0r s VAL 234 N -2.82 5.13 -0.17 -0.18 0.11 -0.78 0.12 120.40 121.81 3g0r s VAL 234 Ca 0.16 0.90 0.08 0.00 -2.93 0.00 0.00 61.98 60.19 3g0r s VAL 234 Cb 0.16 -3.81 -0.16 0.00 -1.53 0.00 0.00 36.38 31.03 3g0r s VAL 234 CO 0.40 0.21 -0.05 0.29 -3.33 0.00 0.00 175.10 172.61 3g0r n LYS 235 N 4.62 1.04 -3.82 1.54 4.76 0.43 -4.99 118.16 121.75 3g0r n LYS 235 Ca -0.06 0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 3g0r n LYS 235 Cb 0.51 -1.39 -0.14 0.00 -1.84 0.00 0.00 35.03 32.17 3g0r n LYS 235 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3g0r s ARG 236 N -2.38 0.08 -0.22 1.97 1.81 -1.16 -4.99 118.95 114.06 3g0r s ARG 236 Ca -0.16 0.17 -0.04 0.00 -1.72 0.00 0.00 55.73 53.98 3g0r s ARG 236 Cb 0.06 -0.03 0.09 0.00 -0.45 0.00 0.00 34.95 34.62 3g0r s ARG 236 CO 0.54 -0.06 0.20 0.45 -0.68 0.00 0.00 175.30 175.76 3g0r s SER 237 N 0.38 1.77 0.35 0.23 0.15 -1.26 -0.77 113.70 114.55 3g0r s SER 237 Ca -0.03 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.21 3g0r s SER 237 Cb -0.04 0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.47 3g0r s SER 237 CO -0.01 -0.35 0.16 -1.66 1.20 0.00 0.00 173.24 172.57 3g0r s TRP 238 N 2.28 1.71 -0.14 3.44 -2.14 -0.20 -4.65 118.94 119.24 3g0r s TRP 238 Ca 0.07 -1.35 0.01 0.00 2.66 0.00 0.00 56.10 57.49 3g0r s TRP 238 Cb -0.16 -0.98 -0.00 0.00 -3.10 0.00 0.00 33.47 29.23 3g0r s TRP 238 CO -0.16 -0.44 -0.17 0.42 -2.66 0.00 0.00 176.95 173.93 3g0r s ILE 239 N -3.41 2.53 -1.26 0.66 1.01 -1.26 -0.43 121.20 119.04 3g0r s ILE 239 Ca 0.32 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 3g0r s ILE 239 Cb 0.04 -2.05 0.18 0.00 0.01 0.00 0.00 42.46 40.64 3g0r s ILE 239 CO 0.17 0.53 1.93 0.18 0.00 0.00 0.00 174.94 177.75 3g0r n LEU 240 N 3.93 6.93 0.05 2.97 4.32 -0.48 -4.84 117.00 129.89 3g0r n LEU 240 Ca -0.19 -4.79 0.11 0.00 -0.02 0.00 0.00 56.01 51.12 3g0r n LEU 240 Cb 0.52 -1.42 0.45 0.00 -1.62 0.00 0.00 43.42 41.35 3g0r n LEU 240 CO 0.28 1.58 0.85 -1.54 -1.22 0.00 0.00 177.39 177.34 3g0r n SER 241 N 3.00 0.31 -0.28 -1.43 3.41 -1.26 -2.11 113.62 115.25 3g0r n SER 241 Ca 0.43 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.72 3g0r n SER 241 Cb 0.33 -0.63 0.37 0.00 -0.26 0.00 0.00 64.21 64.03 3g0r n SER 241 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3g0r n ASP 242 N -1.81 1.12 -4.62 4.04 8.00 -1.26 -4.83 116.55 117.18 3g0r n ASP 242 Ca 0.04 -0.97 -0.43 0.00 0.71 0.00 0.00 54.79 54.15 3g0r n ASP 242 Cb 0.27 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 3g0r n ASP 242 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3g0r s VAL 243 N -2.46 4.53 0.44 2.53 1.01 -0.90 -5.02 120.40 120.53 3g0r s VAL 243 Ca 0.25 1.46 0.08 0.00 0.00 0.00 0.00 61.98 63.77 3g0r s VAL 243 Cb 0.19 -4.38 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3g0r s VAL 243 CO 0.51 -0.52 0.56 -0.04 0.00 0.00 0.00 175.10 175.61 3g0r s MET 244 N 3.60 2.73 0.00 2.72 -1.94 -1.26 -4.59 119.30 120.55 3g0r s MET 244 Ca 0.42 -1.33 0.00 0.00 -1.71 0.00 0.00 55.69 53.07 3g0r s MET 244 Cb -0.12 -2.69 0.00 0.00 2.01 0.00 0.00 34.83 34.04 3g0r s MET 244 CO 0.18 -0.32 0.00 0.41 -0.01 0.00 0.00 175.02 175.27 3g0r n GLY 245 N -1.85 1.11 3.47 -0.03 0.00 -1.26 -5.07 105.19 101.57 3g0r n GLY 245 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 3g0r n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g0r s SER 246 N -0.61 -0.11 0.26 1.61 0.15 -1.26 -4.56 113.70 109.18 3g0r s SER 246 Ca 0.00 -0.74 0.25 0.00 0.70 0.00 0.00 55.95 56.16 3g0r s SER 246 Cb 0.00 0.53 0.93 0.00 -1.71 0.00 0.00 66.02 65.77 3g0r s SER 246 CO 0.00 -1.02 1.74 -0.90 1.20 0.00 0.00 173.24 174.26 3g0r n ASP 247 N -0.31 0.76 -4.73 5.45 5.75 -1.26 -4.70 116.55 117.51 3g0r n ASP 247 Ca -0.07 0.64 -0.30 0.00 -0.01 0.00 0.00 54.79 55.05 3g0r n ASP 247 Cb 0.62 -0.82 -0.07 0.00 -1.03 0.00 0.00 41.12 39.82 3g0r n ASP 247 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3g0r s HIS 248 N -3.26 3.10 0.36 2.11 3.76 -1.26 -2.06 115.29 118.04 3g0r s HIS 248 Ca 0.06 0.04 0.04 0.00 -0.15 0.00 0.00 55.06 55.05 3g0r s HIS 248 Cb 0.10 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 32.19 3g0r s HIS 248 CO 0.47 0.50 0.52 0.00 -0.85 0.00 0.00 174.74 175.38 3g0r s PRO 250 N -4.27 2.06 0.06 0.00 0.05 -1.26 -4.59 135.00 127.05 3g0r s PRO 250 Ca 0.45 0.25 0.02 0.00 0.05 0.00 0.00 61.00 61.77 3g0r s PRO 250 Cb -0.10 -1.95 -0.03 0.00 0.05 0.00 0.00 34.50 32.48 3g0r s PRO 250 CO 0.33 -1.55 -0.07 0.96 0.05 0.00 0.00 177.00 176.71 3g0r s ILE 251 N -3.46 0.57 0.09 0.56 -4.36 -0.28 -1.39 121.20 112.94 3g0r s ILE 251 Ca 0.61 -1.32 0.07 0.00 -0.26 0.00 0.00 60.65 59.75 3g0r s ILE 251 Cb -0.12 -0.91 -0.03 0.00 1.25 0.00 0.00 42.46 42.65 3g0r s ILE 251 CO 0.51 -0.53 -0.19 -0.83 0.24 0.00 0.00 174.94 174.14 3g0r s GLY 252 N -2.00 1.12 -0.01 6.27 0.00 0.43 -1.62 107.32 111.51 3g0r s GLY 252 Ca -0.04 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.56 3g0r s GLY 252 CO -0.01 -1.15 -0.10 -2.27 0.00 0.00 0.00 173.10 169.57 3g0r s LEU 253 N -1.75 2.02 -0.08 0.66 2.96 0.19 -1.03 118.68 121.64 3g0r s LEU 253 Ca 0.04 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3g0r s LEU 253 Cb -0.10 -0.53 0.01 0.00 0.50 0.00 0.00 46.19 46.08 3g0r s LEU 253 CO 0.03 0.13 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.42 3g0r s GLU 254 N -0.24 2.14 0.22 1.98 2.02 0.05 -0.37 118.70 124.50 3g0r s GLU 254 Ca 0.04 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.53 3g0r s GLU 254 Cb -0.04 -1.72 -0.05 0.00 0.10 0.00 0.00 34.13 32.42 3g0r s GLU 254 CO -0.00 0.05 -0.08 0.96 0.02 0.00 0.00 175.26 176.20 3g0r s ILE 255 N 0.64 1.45 0.00 -1.63 -4.36 -0.83 -0.43 121.20 116.04 3g0r s ILE 255 Ca -0.14 -2.12 0.00 0.00 -0.26 0.00 0.00 60.65 58.13 3g0r s ILE 255 Cb -0.16 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.38 3g0r s ILE 255 CO 0.04 -0.50 0.00 1.21 0.24 0.00 0.00 174.94 175.93