#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3y s VAL 3 N 0.00 5.00 -0.15 0.00 1.01 -1.26 0.08 120.40 125.08 3g3y s VAL 3 Ca 0.00 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.01 3g3y s VAL 3 Cb 0.00 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.58 3g3y s VAL 3 CO 0.00 0.47 -0.17 -0.22 0.00 0.00 0.00 175.10 175.18 3g3y s LEU 4 N -0.40 1.86 -0.26 3.92 0.20 0.88 -4.97 118.68 119.91 3g3y s LEU 4 Ca 0.27 -0.54 -0.10 0.00 0.69 0.00 0.00 54.13 54.45 3g3y s LEU 4 Cb -0.17 -1.28 -0.05 0.00 -0.43 0.00 0.00 46.19 44.26 3g3y s LEU 4 CO 0.14 -0.01 0.17 -0.75 -0.29 0.00 0.00 176.35 175.60 3g3y s LYS 5 N 1.28 3.95 -0.10 1.98 2.20 -1.26 -0.71 119.74 127.09 3g3y s LYS 5 Ca 0.02 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.33 3g3y s LYS 5 Cb -0.13 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 3g3y s LYS 5 CO -0.09 -0.10 -0.18 0.42 -0.36 0.00 0.00 175.35 175.04 3g3y s ILE 6 N 1.52 2.66 -0.08 5.43 1.01 0.44 -0.25 121.20 131.93 3g3y s ILE 6 Ca 0.07 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3g3y s ILE 6 Cb -0.15 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 3g3y s ILE 6 CO 0.08 0.55 -0.18 -0.63 0.00 0.00 0.00 174.94 174.76 3g3y s ILE 7 N 0.06 2.63 -0.07 2.92 -1.09 -0.73 -0.01 121.20 124.91 3g3y s ILE 7 Ca -0.07 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 57.53 3g3y s ILE 7 Cb -0.15 -2.04 -0.02 0.00 -1.58 0.00 0.00 42.46 38.67 3g3y s ILE 7 CO 0.05 0.56 -0.13 -0.55 -1.23 0.00 0.00 174.94 173.64 3g3y s SER 8 N -0.09 4.12 -0.22 3.58 0.15 0.11 0.21 113.70 121.56 3g3y s SER 8 Ca -0.04 -0.19 -0.07 0.00 0.70 0.00 0.00 55.95 56.35 3g3y s SER 8 Cb -0.14 -1.05 0.10 0.00 -1.71 0.00 0.00 66.02 63.22 3g3y s SER 8 CO 0.04 0.31 0.46 0.86 1.20 0.00 0.00 173.24 176.12 3g3y s TRP 9 N -0.52 -0.93 -0.49 3.44 -0.00 -0.09 -0.42 118.94 119.94 3g3y s TRP 9 Ca 0.07 1.63 -0.28 0.00 -0.00 0.00 0.00 56.10 57.52 3g3y s TRP 9 Cb -0.12 0.38 0.03 0.00 -0.00 0.00 0.00 33.47 33.77 3g3y s TRP 9 CO 0.02 -0.55 1.07 1.21 -0.00 0.00 0.00 176.95 178.70 3g3y s ASN 10 N 2.67 6.57 0.00 5.86 3.84 -1.26 -1.38 114.94 131.24 3g3y s ASN 10 Ca -0.01 0.30 0.28 0.00 0.21 0.00 0.00 52.86 53.64 3g3y s ASN 10 Cb -0.12 -2.52 1.00 0.00 -0.55 0.00 0.00 41.25 39.06 3g3y s ASN 10 CO -0.14 -1.22 1.72 1.33 -2.79 0.00 0.00 177.10 176.00 3g3y n VAL 11 N 6.69 0.00 -3.93 -5.21 0.24 -0.72 -4.27 118.33 111.14 3g3y n VAL 11 Ca 0.10 -0.15 -0.27 0.00 -2.04 0.00 0.00 64.34 61.97 3g3y n VAL 11 Cb 0.49 0.30 -0.01 0.00 -1.47 0.00 0.00 33.84 33.15 3g3y n VAL 11 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3g3y n ASN 12 N -0.42 -1.06 -0.10 -1.34 5.15 -1.25 -4.55 115.26 111.68 3g3y n ASN 12 Ca 0.16 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 3g3y n ASN 12 Cb 0.33 -3.03 0.00 0.00 -0.53 0.00 0.00 39.78 36.54 3g3y n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3g3y n GLY 13 N -1.96 0.48 0.11 8.20 0.00 0.55 -4.82 105.19 107.74 3g3y n GLY 13 Ca -0.28 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 3g3y n GLY 13 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3g3y h LEU 14 N 0.00 0.06 -0.49 0.99 5.85 -1.31 -3.03 115.31 117.38 3g3y h LEU 14 Ca 0.00 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 3g3y h LEU 14 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3g3y h LEU 14 CO 0.00 0.83 -0.18 0.03 -0.34 0.00 0.00 178.44 178.78 3g3y h ARG 15 N 0.03 0.98 -0.33 1.25 3.08 -1.94 -1.47 114.38 115.97 3g3y h ARG 15 Ca -0.02 -0.41 0.06 0.00 0.07 0.00 0.00 59.98 59.69 3g3y h ARG 15 Cb 1.40 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.35 3g3y h ARG 15 CO 0.11 1.08 -0.03 0.00 -1.07 0.00 0.00 179.97 180.06 3g3y h ALA 16 N 0.88 0.27 0.00 0.04 0.00 -1.85 -1.81 119.26 116.78 3g3y h ALA 16 Ca 0.12 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3g3y h ALA 16 Cb 0.75 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3g3y h ALA 16 CO 0.06 -0.43 -0.53 -0.39 0.00 0.00 0.00 179.25 177.97 3g3y h VAL 17 N 0.06 1.01 -0.05 0.00 -1.51 -1.51 -3.10 116.25 111.14 3g3y h VAL 17 Ca 0.16 -2.12 -0.00 0.00 -1.23 0.00 0.00 66.70 63.51 3g3y h VAL 17 Cb 0.23 2.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.67 3g3y h VAL 17 CO -0.30 0.52 0.03 -0.74 -1.23 0.00 0.00 177.57 175.84 3g3y h HIS 18 N 0.00 0.08 -0.35 5.19 6.17 -0.84 -0.55 115.15 124.85 3g3y h HIS 18 Ca -0.01 -0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.17 3g3y h HIS 18 Cb 1.24 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 31.13 3g3y h HIS 18 CO 0.00 0.18 0.26 0.00 0.71 0.00 0.00 177.93 179.08 3g3y h ARG 19 N -0.04 0.00 -0.11 5.26 3.08 -1.39 -1.72 114.38 119.46 3g3y h ARG 19 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3g3y h ARG 19 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3g3y h ARG 19 CO -0.00 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 3g3y n LYS 20 N -4.33 1.47 -1.43 0.04 5.02 -0.76 -4.91 118.16 113.27 3g3y n LYS 20 Ca 0.05 -0.71 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 3g3y n LYS 20 Cb 0.44 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 3g3y n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g3y n GLY 21 N 0.99 0.97 0.29 0.72 0.00 -0.65 -5.00 105.19 102.53 3g3y n GLY 21 Ca 0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 3g3y n GLY 21 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g3y h PHE 22 N 0.00 0.88 -0.37 1.61 3.57 -1.22 -2.65 116.94 118.77 3g3y h PHE 22 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3g3y h PHE 22 Cb 0.63 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3g3y h PHE 22 CO 0.00 0.48 0.25 -0.07 -2.23 0.00 0.00 178.31 176.73 3g3y h LEU 23 N 0.90 0.40 -0.25 0.59 3.38 -1.85 -0.31 115.31 118.17 3g3y h LEU 23 Ca 0.32 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 3g3y h LEU 23 Cb 0.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3g3y h LEU 23 CO -0.14 0.28 -0.45 0.50 0.09 0.00 0.00 178.44 178.72 3g3y h LYS 24 N 0.47 0.75 -0.83 1.13 3.64 -1.88 -2.27 116.57 117.58 3g3y h LYS 24 Ca 0.14 -0.47 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 3g3y h LYS 24 Cb -0.00 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3g3y h LYS 24 CO -0.03 1.10 0.46 2.35 -2.27 0.00 0.00 179.45 181.06 3g3y h TRP 25 N 0.49 1.13 -0.26 1.91 7.01 -1.16 -2.45 115.95 122.62 3g3y h TRP 25 Ca 0.01 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.01 3g3y h TRP 25 Cb 1.06 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 3g3y h TRP 25 CO 0.08 0.78 0.11 0.35 -2.79 0.00 0.00 178.44 176.97 3g3y h PHE 26 N 1.15 0.21 0.00 2.65 -0.00 -0.96 -0.21 116.94 119.78 3g3y h PHE 26 Ca 0.29 0.01 -0.05 0.00 -0.00 0.00 0.00 57.97 58.23 3g3y h PHE 26 Cb 0.02 -0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 35.90 3g3y h PHE 26 CO 0.00 0.11 -0.22 0.52 -0.00 0.00 0.00 178.31 178.73 3g3y h MET 27 N 0.25 0.00 0.01 1.11 2.86 -1.31 -1.74 114.93 116.11 3g3y h MET 27 Ca 0.11 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.55 3g3y h MET 27 Cb 0.05 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.73 3g3y h MET 27 CO -0.09 0.22 -0.79 1.49 1.06 0.00 0.00 176.91 178.80 3g3y h GLU 28 N 0.00 0.51 0.09 1.72 4.81 -0.95 -3.36 114.58 117.39 3g3y h GLU 28 Ca -0.00 -0.57 -0.27 0.00 -0.13 0.00 0.00 59.36 58.39 3g3y h GLU 28 Cb 0.65 0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.21 3g3y h GLU 28 CO 0.03 1.20 -1.14 1.49 -0.73 0.00 0.00 179.01 179.85 3g3y h GLU 29 N 0.06 0.42 -6.31 1.92 4.57 -0.83 -3.49 114.58 110.93 3g3y h GLU 29 Ca -0.10 -0.57 -0.44 0.00 -1.18 0.00 0.00 59.36 57.07 3g3y h GLU 29 Cb 1.49 0.19 0.07 0.00 -0.16 0.00 0.00 28.75 30.34 3g3y h GLU 29 CO 0.16 1.23 -0.92 1.63 -1.18 0.00 0.00 179.01 179.92 3g3y n LYS 30 N -3.69 -1.10 -1.98 1.92 5.02 -0.67 -4.99 118.16 112.68 3g3y n LYS 30 Ca -0.09 0.46 -0.32 0.00 -2.02 0.00 0.00 58.31 56.33 3g3y n LYS 30 Cb 0.95 -3.88 0.02 0.00 -0.02 0.00 0.00 35.03 32.09 3g3y n LYS 30 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3g3y s PRO 31 N -6.00 3.28 0.08 1.97 0.02 -1.26 -4.97 135.00 128.11 3g3y s PRO 31 Ca 0.44 1.14 -0.14 0.00 0.02 0.00 0.00 61.00 62.46 3g3y s PRO 31 Cb -0.17 -2.03 -0.22 0.00 0.02 0.00 0.00 34.50 32.10 3g3y s PRO 31 CO 0.87 -0.84 1.20 -0.44 -0.33 0.00 0.00 177.00 177.47 3g3y h ASP 32 N 0.25 0.91 -3.81 2.53 3.32 -1.00 -3.45 116.42 115.16 3g3y h ASP 32 Ca -0.46 -0.72 -0.45 0.00 0.02 0.00 0.00 57.03 55.42 3g3y h ASP 32 Cb 1.22 -0.28 -0.31 0.00 0.22 0.00 0.00 39.33 40.18 3g3y h ASP 32 CO 0.57 1.51 -0.79 -0.63 -1.72 0.00 0.00 179.24 178.18 3g3y s ILE 33 N -3.37 0.87 -0.17 0.35 1.01 -0.97 -0.76 121.20 118.16 3g3y s ILE 33 Ca -0.10 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3g3y s ILE 33 Cb 0.07 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.78 3g3y s ILE 33 CO 0.92 0.27 -0.18 -0.22 0.00 0.00 0.00 174.94 175.72 3g3y s LEU 34 N 0.20 2.27 -0.19 2.97 0.20 0.55 -1.78 118.68 122.90 3g3y s LEU 34 Ca -0.04 -0.57 -0.06 0.00 0.69 0.00 0.00 54.13 54.15 3g3y s LEU 34 Cb -0.09 -1.51 -0.03 0.00 -0.43 0.00 0.00 46.19 44.12 3g3y s LEU 34 CO 0.01 0.04 0.02 0.00 -0.29 0.00 0.00 176.35 176.13 3g3y s LEU 36 N 0.68 2.02 0.09 0.00 1.43 0.24 -0.91 118.68 122.23 3g3y s LEU 36 Ca 0.01 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 3g3y s LEU 36 Cb -0.14 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 3g3y s LEU 36 CO 0.02 0.24 -0.23 -1.10 0.23 0.00 0.00 176.35 175.51 3g3y s GLN 37 N -0.31 1.75 -0.53 1.70 1.11 -0.48 -1.23 119.66 121.68 3g3y s GLN 37 Ca 0.03 -1.16 -0.02 0.00 0.01 0.00 0.00 55.36 54.22 3g3y s GLN 37 Cb -0.10 -2.04 -0.02 0.00 -1.01 0.00 0.00 33.01 29.83 3g3y s GLN 37 CO 0.01 0.49 0.48 -1.91 0.01 0.00 0.00 175.29 174.37 3g3y n GLU 38 N 1.24 -1.06 -0.03 2.91 2.13 0.56 -1.76 120.64 124.64 3g3y n GLU 38 Ca -0.17 0.77 -0.15 0.00 0.66 0.00 0.00 57.16 58.27 3g3y n GLU 38 Cb 0.52 -4.01 -0.10 0.00 0.27 0.00 0.00 31.44 28.13 3g3y n GLU 38 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3g3y h ILE 39 N -0.22 1.43 0.00 6.31 1.08 -0.82 0.16 117.51 125.45 3g3y h ILE 39 Ca -0.19 -1.80 0.00 0.00 -0.39 0.00 0.00 64.86 62.48 3g3y h ILE 39 Cb 1.10 2.39 0.00 0.00 -3.07 0.00 0.00 36.82 37.23 3g3y h ILE 39 CO 0.22 0.52 0.00 0.29 -0.69 0.00 0.00 178.15 178.49 3g3y n LYS 40 N -4.39 0.00 -1.12 2.37 5.02 0.80 -1.38 118.16 119.46 3g3y n LYS 40 Ca -0.09 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.89 3g3y n LYS 40 Cb 0.53 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.65 3g3y n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g3y s ALA 41 N 0.00 2.06 -0.39 7.82 0.00 -1.26 -2.55 121.76 127.43 3g3y s ALA 41 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 3g3y s ALA 41 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3g3y s ALA 41 CO 0.00 -2.02 1.10 0.00 0.00 0.00 0.00 175.76 174.84 3g3y s ALA 42 N -2.84 3.34 0.23 0.00 0.00 -1.26 -4.89 121.76 116.34 3g3y s ALA 42 Ca 0.63 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 3g3y s ALA 42 Cb -0.19 -3.77 0.29 0.00 0.00 0.00 0.00 23.12 19.45 3g3y s ALA 42 CO 0.56 -1.85 1.60 -1.35 0.00 0.00 0.00 175.76 174.73 3g3y h PRO 43 N 8.63 -0.02 -0.09 0.00 0.11 -1.98 -0.67 132.00 137.98 3g3y h PRO 43 Ca -0.22 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.92 3g3y h PRO 43 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3g3y h PRO 43 CO 1.08 -0.01 0.10 1.05 -0.21 0.00 0.00 178.00 180.00 3g3y h GLU 44 N -0.02 0.00 -0.28 1.05 9.09 -2.02 -1.79 114.58 120.61 3g3y h GLU 44 Ca 0.35 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.64 3g3y h GLU 44 Cb 0.56 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.59 3g3y h GLU 44 CO -0.78 0.00 -0.09 1.04 0.05 0.00 0.00 179.01 179.23 3g3y n GLN 45 N -3.86 1.98 -2.74 1.06 6.02 -0.27 -4.98 117.38 114.58 3g3y n GLN 45 Ca -0.01 -3.09 -0.31 0.00 -0.01 0.00 0.00 57.00 53.59 3g3y n GLN 45 Cb 0.20 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.65 3g3y n GLN 45 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3g3y s LEU 46 N -3.14 3.78 0.26 1.08 1.43 -0.68 -4.92 118.68 116.49 3g3y s LEU 46 Ca 0.43 1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 54.46 3g3y s LEU 46 Cb 0.38 -4.12 -0.15 0.00 0.03 0.00 0.00 46.19 42.34 3g3y s LEU 46 CO 0.01 -0.45 0.97 -2.65 0.23 0.00 0.00 176.35 174.46 3g3y n PRO 47 N -1.40 1.16 -0.28 1.29 -0.02 -1.26 -4.81 135.00 129.69 3g3y n PRO 47 Ca 0.03 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.96 3g3y n PRO 47 Cb 0.54 -1.75 0.26 0.00 -0.02 0.00 0.00 33.50 32.53 3g3y n PRO 47 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3g3y h ARG 48 N 2.05 0.96 0.00 -0.52 2.43 -1.97 -0.79 114.38 116.54 3g3y h ARG 48 Ca -0.39 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 3g3y h ARG 48 Cb 1.35 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3g3y h ARG 48 CO 0.61 0.63 -0.16 0.87 -1.51 0.00 0.00 179.97 180.42 3g3y h LYS 49 N 0.99 0.00 0.00 0.20 1.57 -1.89 -0.58 116.57 116.85 3g3y h LYS 49 Ca 0.37 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.93 3g3y h LYS 49 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3g3y h LYS 49 CO -0.13 0.16 -1.38 1.25 -0.57 0.00 0.00 179.45 178.77 3g3y h LEU 50 N 0.00 0.00 0.17 2.94 5.85 -1.55 -3.35 115.31 119.38 3g3y h LEU 50 Ca -0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 3g3y h LEU 50 Cb 0.33 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.38 3g3y h LEU 50 CO 0.02 0.82 -1.39 0.03 -0.34 0.00 0.00 178.44 177.58 3g3y h ARG 51 N 0.00 0.37 -2.95 1.25 3.08 -0.87 -3.41 114.38 111.85 3g3y h ARG 51 Ca -0.17 -0.63 -0.62 0.00 0.07 0.00 0.00 59.98 58.62 3g3y h ARG 51 Cb 1.78 0.23 -0.41 0.00 0.08 0.00 0.00 29.97 31.65 3g3y h ARG 51 CO 0.08 1.30 -0.53 0.72 -1.07 0.00 0.00 179.97 180.47 3g3y n HIS 52 N -3.83 3.41 -2.98 3.04 8.25 -0.26 -4.54 115.22 118.31 3g3y n HIS 52 Ca -0.21 -4.27 -0.40 0.00 -0.26 0.00 0.00 57.72 52.59 3g3y n HIS 52 Cb 0.98 -0.66 -0.04 0.00 1.12 0.00 0.00 29.99 31.38 3g3y n HIS 52 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3g3y s VAL 53 N -1.66 5.00 0.32 1.59 1.01 -1.26 -4.72 120.40 120.68 3g3y s VAL 53 Ca 0.28 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 3g3y s VAL 53 Cb -0.01 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 3g3y s VAL 53 CO -0.14 0.20 1.42 -1.83 0.00 0.00 0.00 175.10 174.75 3g3y s GLU 54 N 1.08 4.24 0.00 2.72 -1.05 -1.26 -2.26 118.70 122.17 3g3y s GLU 54 Ca 0.39 2.38 0.00 0.00 -0.15 0.00 0.00 54.97 57.59 3g3y s GLU 54 Cb -0.18 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.47 3g3y s GLU 54 CO 0.18 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.41 3g3y n GLY 55 N 1.17 1.01 3.15 -3.83 0.00 -1.26 -5.05 105.19 100.38 3g3y n GLY 55 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3g3y n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3y s TYR 56 N -2.57 1.32 -0.10 1.61 2.02 -0.96 -4.27 117.35 114.39 3g3y s TYR 56 Ca 0.00 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.25 3g3y s TYR 56 Cb 0.00 -0.80 -0.05 0.00 -0.40 0.00 0.00 41.96 40.72 3g3y s TYR 56 CO 0.00 0.03 0.27 0.50 -1.57 0.00 0.00 175.55 174.78 3g3y s ARG 57 N -0.96 3.91 0.09 -0.62 6.06 -0.13 -4.61 118.95 122.68 3g3y s ARG 57 Ca 0.03 0.10 0.06 0.00 -2.50 0.00 0.00 55.73 53.42 3g3y s ARG 57 Cb -0.07 -3.29 -0.04 0.00 0.06 0.00 0.00 34.95 31.60 3g3y s ARG 57 CO 0.01 0.54 -0.08 -1.54 -2.50 0.00 0.00 175.30 171.73 3g3y s SER 58 N -0.44 4.53 -0.04 -2.12 1.04 -1.26 -0.79 113.70 114.62 3g3y s SER 58 Ca 0.18 -0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.28 3g3y s SER 58 Cb -0.14 -0.93 0.03 0.00 0.10 0.00 0.00 66.02 65.08 3g3y s SER 58 CO 0.06 0.19 0.02 -0.36 0.98 0.00 0.00 173.24 174.14 3g3y s PHE 59 N -1.20 0.27 -0.12 5.02 0.40 0.86 -4.99 117.98 118.22 3g3y s PHE 59 Ca 0.21 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.62 3g3y s PHE 59 Cb -0.11 -0.49 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 3g3y s PHE 59 CO 0.14 -0.18 -0.16 -0.06 0.70 0.00 0.00 175.22 175.65 3g3y s PHE 60 N 1.58 2.74 -0.56 0.36 0.40 -1.26 -0.87 117.98 120.36 3g3y s PHE 60 Ca -0.02 -0.76 0.03 0.00 -0.60 0.00 0.00 56.93 55.58 3g3y s PHE 60 Cb -0.13 -1.80 0.14 0.00 0.51 0.00 0.00 43.02 41.74 3g3y s PHE 60 CO -0.03 -0.27 0.32 0.99 0.70 0.00 0.00 175.22 176.93 3g3y s THR 61 N 0.35 2.77 0.49 0.64 2.01 0.07 -5.01 115.64 116.96 3g3y s THR 61 Ca -0.13 -3.44 -0.15 0.00 0.31 0.00 0.00 61.69 58.28 3g3y s THR 61 Cb -0.17 -2.89 -0.07 0.00 0.01 0.00 0.00 72.50 69.38 3g3y s THR 61 CO 0.07 -0.84 0.94 -2.16 -0.69 0.00 0.00 174.62 171.93 3g3y s PRO 62 N -0.46 3.90 0.80 4.92 0.04 -1.26 -1.46 135.00 141.47 3g3y s PRO 62 Ca 0.18 0.84 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 3g3y s PRO 62 Cb -0.22 -2.19 0.07 0.00 0.04 0.00 0.00 34.50 32.20 3g3y s PRO 62 CO -0.03 -0.23 1.09 0.00 0.04 0.00 0.00 177.00 177.87 3g3y s ALA 63 N -2.59 2.15 0.19 8.56 0.00 -1.26 -4.11 121.76 124.70 3g3y s ALA 63 Ca 0.57 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.47 3g3y s ALA 63 Cb -0.10 -3.18 0.09 0.00 0.00 0.00 0.00 23.12 19.93 3g3y s ALA 63 CO 0.32 -1.80 1.58 0.93 0.00 0.00 0.00 175.76 176.78 3g3y h GLU 64 N -1.15 0.87 -6.47 0.00 5.08 -1.59 -3.43 114.58 107.89 3g3y h GLU 64 Ca -0.46 -0.38 -0.54 0.00 -1.00 0.00 0.00 59.36 56.99 3g3y h GLU 64 Cb 1.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3g3y h GLU 64 CO 0.56 1.02 0.55 0.50 -1.00 0.00 0.00 179.01 180.63 3g3y s ARG 65 N -4.58 4.44 0.42 2.33 3.52 -1.26 -5.01 118.95 118.81 3g3y s ARG 65 Ca -0.10 1.73 -0.25 0.00 -0.13 0.00 0.00 55.73 56.98 3g3y s ARG 65 Cb 0.12 -3.37 -0.08 0.00 -1.56 0.00 0.00 34.95 30.07 3g3y s ARG 65 CO 0.85 -0.25 1.31 0.15 -0.81 0.00 0.00 175.30 176.56 3g3y s LYS 66 N 1.11 3.87 -0.73 5.12 1.02 -1.26 -3.16 119.74 125.70 3g3y s LYS 66 Ca 0.58 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.74 3g3y s LYS 66 Cb -0.28 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 3g3y s LYS 66 CO 0.29 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 3g3y n GLY 67 N 0.64 0.80 3.16 -3.33 0.00 -1.06 -4.96 105.19 100.45 3g3y n GLY 67 Ca 0.04 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 3g3y n GLY 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g3y s TYR 68 N -1.91 1.79 0.00 1.61 5.04 -1.19 -4.76 117.35 117.93 3g3y s TYR 68 Ca 0.00 -0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 3g3y s TYR 68 Cb 0.00 -1.19 0.00 0.00 0.35 0.00 0.00 41.96 41.12 3g3y s TYR 68 CO 0.00 -0.14 0.00 0.45 -1.34 0.00 0.00 175.55 174.52 3g3y n SER 69 N 3.00 0.00 0.00 4.32 2.88 -1.26 -4.09 113.62 118.46 3g3y n SER 69 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 3g3y n SER 69 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3g3y n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g3y n GLY 70 N 0.00 -0.22 3.29 0.46 0.00 -1.04 -0.14 105.19 107.54 3g3y n GLY 70 Ca 0.00 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.38 3g3y n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g3y s VAL 71 N -2.47 0.61 0.05 1.61 -7.23 -0.54 -0.32 120.40 112.11 3g3y s VAL 71 Ca 0.00 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 3g3y s VAL 71 Cb 0.00 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.51 3g3y s VAL 71 CO 0.00 -0.16 0.40 0.00 -0.31 0.00 0.00 175.10 175.03 3g3y s ALA 72 N -3.72 -0.97 -0.03 1.32 0.00 -0.36 -0.75 121.76 117.25 3g3y s ALA 72 Ca 0.33 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 3g3y s ALA 72 Cb 0.07 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.59 3g3y s ALA 72 CO 0.10 -0.47 0.04 1.41 0.00 0.00 0.00 175.76 176.85 3g3y s MET 73 N -2.59 -0.05 -0.12 0.00 1.75 -0.05 -0.59 119.30 117.65 3g3y s MET 73 Ca -0.05 0.24 -0.04 0.00 -1.25 0.00 0.00 55.69 54.60 3g3y s MET 73 Cb -0.01 -0.32 -0.03 0.00 2.84 0.00 0.00 34.83 37.31 3g3y s MET 73 CO -0.03 -0.22 0.02 0.71 -0.65 0.00 0.00 175.02 174.85 3g3y s TYR 74 N 1.39 3.19 -0.08 4.11 1.51 -0.67 -0.09 117.35 126.70 3g3y s TYR 74 Ca -0.05 0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 56.06 3g3y s TYR 74 Cb -0.13 -1.89 0.03 0.00 -0.11 0.00 0.00 41.96 39.86 3g3y s TYR 74 CO -0.03 0.34 0.22 -0.08 -1.11 0.00 0.00 175.55 174.89 3g3y s THR 75 N -0.43 -0.01 -0.64 -0.71 -1.32 0.03 -0.33 115.64 112.23 3g3y s THR 75 Ca 0.08 0.03 0.25 0.00 -1.21 0.00 0.00 61.69 60.84 3g3y s THR 75 Cb -0.12 -0.32 0.30 0.00 -1.51 0.00 0.00 72.50 70.85 3g3y s THR 75 CO 0.02 0.01 1.73 0.11 -2.21 0.00 0.00 174.62 174.28 3g3y h LYS 76 N 6.07 0.00 -5.07 7.08 1.57 -1.13 -0.32 116.57 124.78 3g3y h LYS 76 Ca -0.29 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.87 3g3y h LYS 76 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.35 3g3y h LYS 76 CO 0.37 0.00 -0.44 0.08 -0.57 0.00 0.00 179.45 178.89 3g3y s VAL 77 N -3.14 5.30 0.02 0.50 1.01 -1.26 -4.93 120.40 117.91 3g3y s VAL 77 Ca 0.09 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 3g3y s VAL 77 Cb 0.10 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.84 3g3y s VAL 77 CO 0.62 0.28 1.74 -2.16 0.00 0.00 0.00 175.10 175.57 3g3y s PRO 78 N 1.45 4.18 0.21 2.72 0.04 -1.26 -4.97 135.00 137.36 3g3y s PRO 78 Ca 0.10 2.36 -0.23 0.00 0.04 0.00 0.00 61.00 63.27 3g3y s PRO 78 Cb -0.15 -3.86 -0.08 0.00 0.04 0.00 0.00 34.50 30.45 3g3y s PRO 78 CO 0.08 -0.83 0.78 -1.25 0.04 0.00 0.00 177.00 175.81 3g3y s PRO 79 N 3.52 4.44 0.00 0.56 0.04 -1.26 -4.89 135.00 137.41 3g3y s PRO 79 Ca 0.77 1.06 0.27 0.00 0.04 0.00 0.00 61.00 63.15 3g3y s PRO 79 Cb -0.39 -3.05 1.11 0.00 0.04 0.00 0.00 34.50 32.21 3g3y s PRO 79 CO 0.34 0.47 1.77 -1.13 0.04 0.00 0.00 177.00 178.49 3g3y n SER 80 N 1.12 1.29 -3.61 6.66 3.41 0.91 -4.87 113.62 118.53 3g3y n SER 80 Ca -0.03 -1.47 -0.04 0.00 -0.26 0.00 0.00 58.87 57.07 3g3y n SER 80 Cb 0.50 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 3g3y n SER 80 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3g3y s SER 81 N -1.92 -0.11 -0.07 4.04 1.04 -1.25 -4.95 113.70 110.49 3g3y s SER 81 Ca 0.38 0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 3g3y s SER 81 Cb 0.20 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.46 3g3y s SER 81 CO 0.32 -0.18 0.01 -0.22 0.98 0.00 0.00 173.24 174.15 3g3y s LEU 82 N -2.08 0.57 -0.05 2.42 1.98 -1.26 -1.68 118.68 118.58 3g3y s LEU 82 Ca 0.10 -0.07 0.03 0.00 -2.89 0.00 0.00 54.13 51.30 3g3y s LEU 82 Cb -0.01 -0.41 -0.03 0.00 0.66 0.00 0.00 46.19 46.40 3g3y s LEU 82 CO -0.04 -0.19 -0.13 -0.60 -1.89 0.00 0.00 176.35 173.49 3g3y s ARG 83 N 1.96 2.53 -0.23 1.98 3.52 0.29 -4.97 118.95 124.03 3g3y s ARG 83 Ca 0.05 -0.68 0.10 0.00 -0.13 0.00 0.00 55.73 55.07 3g3y s ARG 83 Cb -0.12 -2.40 0.43 0.00 -1.56 0.00 0.00 34.95 31.29 3g3y s ARG 83 CO -0.05 0.63 1.22 0.39 -0.81 0.00 0.00 175.30 176.68 3g3y n GLU 84 N 2.28 1.94 0.00 5.12 1.02 -1.26 -0.02 120.64 129.71 3g3y n GLU 84 Ca -0.17 -3.45 0.00 0.00 -0.02 0.00 0.00 57.16 53.52 3g3y n GLU 84 Cb 0.52 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3g3y n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3y n GLY 85 N -1.05 0.42 0.36 0.62 0.00 -1.26 -4.67 105.19 99.61 3g3y n GLY 85 Ca 0.24 -0.80 0.14 0.00 0.00 0.00 0.00 46.02 45.60 3g3y n GLY 85 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3g3y n PHE 86 N -0.03 0.00 -2.84 1.61 3.72 -1.26 -4.93 117.46 113.74 3g3y n PHE 86 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 3g3y n PHE 86 Cb 0.00 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.56 3g3y n PHE 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g3y n GLY 87 N 1.14 0.36 2.61 1.37 0.00 -1.26 -5.03 105.19 104.38 3g3y n GLY 87 Ca 0.20 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 3g3y n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g3y s VAL 88 N -3.12 0.01 0.08 1.61 1.01 -1.26 -5.08 120.40 113.65 3g3y s VAL 88 Ca 0.18 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 3g3y s VAL 88 Cb -0.08 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 3g3y s VAL 88 CO 0.27 -0.42 0.95 -0.62 0.00 0.00 0.00 175.10 175.28 3g3y n GLU 89 N 5.23 -0.23 0.30 2.72 -0.58 -1.26 -1.20 120.64 125.62 3g3y n GLU 89 Ca -0.07 0.94 0.18 0.00 -0.42 0.00 0.00 57.16 57.79 3g3y n GLU 89 Cb 0.46 -1.38 0.93 0.00 -0.57 0.00 0.00 31.44 30.89 3g3y n GLU 89 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 3g3y h ARG 90 N 0.00 0.00 0.00 3.49 0.11 -2.01 -1.04 114.38 114.92 3g3y h ARG 90 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 3g3y h ARG 90 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 3g3y h ARG 90 CO -0.50 0.03 -0.77 1.19 0.10 0.00 0.00 179.97 180.02 3g3y n PHE 91 N -3.28 0.39 0.66 4.08 0.99 -0.34 -4.40 117.46 115.55 3g3y n PHE 91 Ca -0.02 0.11 0.07 0.00 -0.00 0.00 0.00 57.45 57.61 3g3y n PHE 91 Cb 0.18 -0.53 -0.07 0.00 -1.00 0.00 0.00 39.48 38.06 3g3y n PHE 91 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3g3y n ASP 92 N -1.99 0.76 -0.26 4.37 8.00 -0.41 -4.37 116.55 122.65 3g3y n ASP 92 Ca 0.03 -0.88 0.12 0.00 0.71 0.00 0.00 54.79 54.77 3g3y n ASP 92 Cb 0.43 0.94 0.23 0.00 -0.02 0.00 0.00 41.12 42.70 3g3y n ASP 92 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3g3y n THR 93 N -1.20 0.00 1.08 -3.53 -2.24 -1.11 -4.30 114.28 102.97 3g3y n THR 93 Ca 0.03 -0.13 0.12 0.00 -2.27 0.00 0.00 64.05 61.80 3g3y n THR 93 Cb 0.23 0.64 0.32 0.00 -2.10 0.00 0.00 70.33 69.41 3g3y n THR 93 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g3y n GLU 94 N -0.67 2.02 -2.92 -0.78 1.02 -1.26 -1.55 120.64 116.50 3g3y n GLU 94 Ca 0.10 -1.50 -0.12 0.00 -0.02 0.00 0.00 57.16 55.62 3g3y n GLU 94 Cb 0.38 -1.46 0.03 0.00 -0.02 0.00 0.00 31.44 30.37 3g3y n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3y n GLY 95 N 1.27 0.15 0.00 0.62 0.00 -1.26 -4.00 105.19 101.98 3g3y n GLY 95 Ca 0.17 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.02 3g3y n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3y n ARG 96 N -2.68 1.67 -4.09 1.61 1.74 -1.26 -2.51 116.66 111.15 3g3y n ARG 96 Ca -0.02 -0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.77 3g3y n ARG 96 Cb 0.54 -1.25 -0.17 0.00 -1.02 0.00 0.00 32.46 30.56 3g3y n ARG 96 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g3y s ILE 97 N -2.56 1.16 -0.06 0.55 1.01 -1.26 -0.70 121.20 119.34 3g3y s ILE 97 Ca 0.04 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3g3y s ILE 97 Cb 0.11 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.48 3g3y s ILE 97 CO 0.64 0.38 -0.06 -1.10 0.00 0.00 0.00 174.94 174.80 3g3y s GLN 98 N 1.42 1.10 -0.26 2.79 -0.21 -0.81 -4.27 119.66 119.41 3g3y s GLN 98 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.23 3g3y s GLN 98 Cb -0.13 -1.08 0.07 0.00 1.00 0.00 0.00 33.01 32.86 3g3y s GLN 98 CO -0.06 -0.11 -0.03 0.42 -2.12 0.00 0.00 175.29 173.39 3g3y s ILE 99 N 1.09 1.67 -0.14 1.08 1.01 0.97 0.01 121.20 126.90 3g3y s ILE 99 Ca -0.08 -1.47 -0.02 0.00 0.00 0.00 0.00 60.65 59.08 3g3y s ILE 99 Cb -0.14 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 3g3y s ILE 99 CO -0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 174.94 174.65 3g3y s ALA 100 N 1.30 2.92 -0.32 9.38 0.00 -0.07 -0.55 121.76 134.42 3g3y s ALA 100 Ca -0.02 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 3g3y s ALA 100 Cb -0.19 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 3g3y s ALA 100 CO -0.08 0.28 0.46 0.34 0.00 0.00 0.00 175.76 176.76 3g3y s ASP 101 N 0.17 6.31 -0.28 0.00 -1.08 -0.68 0.32 116.67 121.44 3g3y s ASP 101 Ca -0.03 0.11 0.09 0.00 -0.52 0.00 0.00 52.55 52.20 3g3y s ASP 101 Cb -0.14 -2.25 0.48 0.00 -1.46 0.00 0.00 42.92 39.55 3g3y s ASP 101 CO 0.03 -0.37 1.39 0.49 0.52 0.00 0.00 175.17 177.24 3g3y n PHE 102 N 5.57 0.88 0.00 -5.34 3.01 -0.12 -0.06 117.46 121.40 3g3y n PHE 102 Ca -0.06 -1.64 0.00 0.00 1.01 0.00 0.00 57.45 56.76 3g3y n PHE 102 Cb 0.49 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 3g3y n PHE 102 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3g3y n ASP 103 N -1.10 0.00 0.29 4.37 10.43 -1.26 -4.07 116.55 125.20 3g3y n ASP 103 Ca 0.30 0.00 0.14 0.00 2.57 0.00 0.00 54.79 57.80 3g3y n ASP 103 Cb 0.93 0.00 0.86 0.00 1.84 0.00 0.00 41.12 44.75 3g3y n ASP 103 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3g3y h ASP 104 N 0.00 0.00 -4.70 -2.24 3.32 -1.96 -3.46 116.42 107.39 3g3y h ASP 104 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 3g3y h ASP 104 Cb 0.00 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.39 3g3y h ASP 104 CO 0.00 0.03 0.38 0.72 -1.72 0.00 0.00 179.24 178.66 3g3y s PHE 105 N -4.53 -0.45 0.06 4.55 -0.71 -1.26 -4.37 117.98 111.28 3g3y s PHE 105 Ca -0.04 0.46 -0.13 0.00 -1.04 0.00 0.00 56.93 56.17 3g3y s PHE 105 Cb 0.15 0.51 -0.06 0.00 -1.21 0.00 0.00 43.02 42.40 3g3y s PHE 105 CO 0.56 -0.60 0.44 -0.51 -1.34 0.00 0.00 175.22 173.78 3g3y s LEU 106 N -2.11 4.41 -0.24 -1.99 1.43 -0.09 -0.95 118.68 119.14 3g3y s LEU 106 Ca 0.00 0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 54.03 3g3y s LEU 106 Cb -0.01 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.36 3g3y s LEU 106 CO -0.05 0.23 -0.06 -0.22 0.23 0.00 0.00 176.35 176.47 3g3y s LEU 107 N -1.54 3.11 -0.22 1.79 2.96 0.15 -0.92 118.68 124.00 3g3y s LEU 107 Ca 0.30 -0.80 -0.19 0.00 -0.22 0.00 0.00 54.13 53.22 3g3y s LEU 107 Cb -0.16 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3g3y s LEU 107 CO 0.16 -0.11 0.55 -0.31 -1.32 0.00 0.00 176.35 175.33 3g3y s TYR 108 N 1.34 3.33 -0.38 5.38 1.51 0.32 -0.89 117.35 127.96 3g3y s TYR 108 Ca 0.01 0.77 -0.03 0.00 -1.01 0.00 0.00 57.07 56.81 3g3y s TYR 108 Cb -0.16 -2.73 0.09 0.00 -0.11 0.00 0.00 41.96 39.05 3g3y s TYR 108 CO -0.05 -0.20 0.14 1.21 -1.11 0.00 0.00 175.55 175.55 3g3y s ASN 109 N 1.32 5.17 -0.10 2.29 2.47 0.10 -1.11 114.94 125.07 3g3y s ASN 109 Ca 0.24 -1.77 0.02 0.00 0.42 0.00 0.00 52.86 51.78 3g3y s ASN 109 Cb -0.16 -1.80 0.01 0.00 -1.45 0.00 0.00 41.25 37.85 3g3y s ASN 109 CO 0.09 -0.45 -0.17 -0.63 -3.72 0.00 0.00 177.10 172.22 3g3y s ILE 110 N 1.19 1.60 -0.77 -5.21 -1.09 -0.78 -1.93 121.20 114.21 3g3y s ILE 110 Ca 0.04 -0.72 -0.15 0.00 -2.23 0.00 0.00 60.65 57.59 3g3y s ILE 110 Cb -0.22 -1.43 0.18 0.00 -1.58 0.00 0.00 42.46 39.41 3g3y s ILE 110 CO -0.03 0.46 0.75 -0.47 -1.23 0.00 0.00 174.94 174.42 3g3y s TYR 111 N 0.78 3.53 0.50 3.97 5.04 0.13 -2.59 117.35 128.71 3g3y s TYR 111 Ca -0.11 -1.71 -0.22 0.00 -2.44 0.00 0.00 57.07 52.60 3g3y s TYR 111 Cb -0.16 -3.88 -0.06 0.00 0.35 0.00 0.00 41.96 38.21 3g3y s TYR 111 CO 0.01 -1.08 1.19 -0.06 -1.34 0.00 0.00 175.55 174.28 3g3y s PHE 112 N 0.92 2.69 0.59 4.97 0.40 -0.40 -4.72 117.98 122.44 3g3y s PHE 112 Ca 0.16 1.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.82 3g3y s PHE 112 Cb -0.14 -3.44 -0.04 0.00 0.51 0.00 0.00 43.02 39.91 3g3y s PHE 112 CO -0.06 -1.82 1.16 -2.14 0.70 0.00 0.00 175.22 173.06 3g3y s PRO 113 N -2.91 3.07 -0.07 0.24 0.02 -1.26 -4.66 135.00 129.43 3g3y s PRO 113 Ca 0.68 1.65 -0.20 0.00 0.02 0.00 0.00 61.00 63.16 3g3y s PRO 113 Cb -0.30 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 3g3y s PRO 113 CO 0.35 -1.08 0.55 1.21 -0.33 0.00 0.00 177.00 177.70 3g3y s ASN 114 N -1.86 6.83 0.00 2.53 3.84 -1.26 -4.74 114.94 120.27 3g3y s ASN 114 Ca 0.73 0.99 0.24 0.00 0.21 0.00 0.00 52.86 55.03 3g3y s ASN 114 Cb -0.26 -2.33 0.21 0.00 -0.55 0.00 0.00 41.25 38.32 3g3y s ASN 114 CO 0.32 0.02 1.27 0.61 -2.79 0.00 0.00 177.10 176.53 3g3y n GLY 115 N 2.94 1.04 0.14 1.21 0.00 -1.26 -4.63 105.19 104.64 3g3y n GLY 115 Ca -0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 3g3y n GLY 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3y h LYS 116 N 4.67 0.40 0.00 1.61 1.57 -1.91 -3.35 116.57 119.55 3g3y h LYS 116 Ca 0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3g3y h LYS 116 Cb 0.99 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 3g3y h LYS 116 CO 0.00 0.44 -0.06 0.52 -0.57 0.00 0.00 179.45 179.78 3g3y h MET 117 N 0.27 0.00 -2.58 3.15 2.86 -1.97 -3.46 114.93 113.21 3g3y h MET 117 Ca 0.09 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.87 3g3y h MET 117 Cb 0.19 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3g3y h MET 117 CO -0.01 0.06 0.53 -1.54 1.06 0.00 0.00 176.91 177.02 3g3y s SER 118 N -5.88 -0.02 0.11 1.22 1.04 -1.26 -5.02 113.70 103.90 3g3y s SER 118 Ca -0.03 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 3g3y s SER 118 Cb 0.13 0.55 -0.18 0.00 0.10 0.00 0.00 66.02 66.62 3g3y s SER 118 CO 0.54 -1.08 1.24 -0.08 0.98 0.00 0.00 173.24 174.84 3g3y h GLU 119 N 2.00 0.27 -0.86 4.02 4.81 -1.88 -3.05 114.58 119.89 3g3y h GLU 119 Ca -0.28 -0.37 0.07 0.00 -0.13 0.00 0.00 59.36 58.65 3g3y h GLU 119 Cb 1.22 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.67 3g3y h GLU 119 CO 0.35 1.12 0.52 0.93 -0.73 0.00 0.00 179.01 181.21 3g3y h GLU 120 N 0.11 0.91 0.00 1.92 5.08 -1.95 -2.35 114.58 118.30 3g3y h GLU 120 Ca -0.09 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3g3y h GLU 120 Cb 1.77 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 3g3y h GLU 120 CO 0.17 0.60 -0.25 0.00 -1.00 0.00 0.00 179.01 178.54 3g3y h ARG 121 N 0.94 0.00 -0.20 2.33 2.47 -1.88 -1.86 114.38 116.18 3g3y h ARG 121 Ca 0.38 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.99 3g3y h ARG 121 Cb 0.21 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3g3y h ARG 121 CO -0.19 0.01 -0.32 1.25 0.56 0.00 0.00 179.97 181.28 3g3y h LEU 122 N 0.00 0.63 -0.11 3.04 5.85 -1.38 -1.39 115.31 121.95 3g3y h LEU 122 Ca -0.00 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3g3y h LEU 122 Cb 1.01 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3g3y h LEU 122 CO 0.00 1.04 0.06 0.50 -0.34 0.00 0.00 178.44 179.70 3g3y h LYS 123 N 0.25 0.13 -0.94 1.25 3.64 -1.36 -1.18 116.57 118.35 3g3y h LYS 123 Ca 0.02 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3g3y h LYS 123 Cb 0.91 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.64 3g3y h LYS 123 CO 0.07 0.09 0.61 -0.92 -2.27 0.00 0.00 179.45 177.03 3g3y h TYR 124 N 0.14 1.15 -0.05 1.91 3.20 -1.36 -0.42 116.97 121.53 3g3y h TYR 124 Ca 0.04 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 3g3y h TYR 124 Cb -0.00 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 37.88 3g3y h TYR 124 CO -0.08 0.65 0.02 -0.22 -1.64 0.00 0.00 178.16 176.89 3g3y h LYS 125 N 1.17 0.08 -0.58 1.82 3.64 -1.04 -1.33 116.57 120.33 3g3y h LYS 125 Ca 0.38 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.70 3g3y h LYS 125 Cb 0.03 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3g3y h LYS 125 CO -0.13 0.23 0.16 -0.07 -2.27 0.00 0.00 179.45 177.37 3g3y h LEU 126 N -0.08 0.83 -0.52 5.20 3.38 -0.78 -0.08 115.31 123.27 3g3y h LEU 126 Ca 0.02 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3g3y h LEU 126 Cb 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3g3y h LEU 126 CO -0.00 0.80 -0.74 -0.33 0.09 0.00 0.00 178.44 178.26 3g3y h GLU 127 N 0.86 0.00 -0.73 1.13 5.08 -1.07 -2.41 114.58 117.44 3g3y h GLU 127 Ca 0.19 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3g3y h GLU 127 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3g3y h GLU 127 CO -0.00 0.74 0.26 0.35 -1.00 0.00 0.00 179.01 179.35 3g3y h PHE 128 N 0.00 1.13 -0.47 4.33 3.57 -0.79 -1.12 116.94 123.59 3g3y h PHE 128 Ca -0.01 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.47 3g3y h PHE 128 Cb 1.31 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 3g3y h PHE 128 CO 0.00 0.88 0.10 1.88 -2.23 0.00 0.00 178.31 178.95 3g3y h TYR 129 N 1.06 0.17 -0.26 0.41 0.99 -0.70 -1.08 116.97 117.55 3g3y h TYR 129 Ca 0.24 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.96 3g3y h TYR 129 Cb 0.25 -0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.97 3g3y h TYR 129 CO 0.02 0.01 0.02 -0.44 -0.00 0.00 0.00 178.16 177.78 3g3y h ASP 130 N 0.24 0.43 -0.32 3.88 3.32 -1.19 -1.84 116.42 120.95 3g3y h ASP 130 Ca 0.23 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3g3y h ASP 130 Cb 0.30 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3g3y h ASP 130 CO -0.30 0.61 0.16 0.00 -1.72 0.00 0.00 179.24 177.99 3g3y h ALA 131 N 0.84 1.59 -0.25 3.45 0.00 -1.04 -1.49 119.26 122.35 3g3y h ALA 131 Ca 0.08 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3g3y h ALA 131 Cb 0.37 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3g3y h ALA 131 CO 0.01 0.33 -0.50 0.35 0.00 0.00 0.00 179.25 179.43 3g3y h PHE 132 N 0.51 0.88 -0.20 0.00 3.57 -0.97 -1.88 116.94 118.85 3g3y h PHE 132 Ca 0.13 -0.30 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 3g3y h PHE 132 Cb 0.09 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3g3y h PHE 132 CO 0.00 1.07 0.06 1.25 -2.23 0.00 0.00 178.31 178.46 3g3y h LEU 133 N 0.56 0.29 -0.21 0.59 6.46 -0.84 -0.80 115.31 121.36 3g3y h LEU 133 Ca 0.02 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.63 3g3y h LEU 133 Cb 1.07 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.85 3g3y h LEU 133 CO 0.10 0.41 -0.37 -0.33 -0.62 0.00 0.00 178.44 177.64 3g3y h GLU 134 N 0.15 -0.38 0.50 1.25 5.08 -1.27 -0.89 114.58 119.00 3g3y h GLU 134 Ca 0.06 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3g3y h GLU 134 Cb 0.23 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3g3y h GLU 134 CO -0.00 -0.26 -0.27 0.22 -1.00 0.00 0.00 179.01 177.70 3g3y h ASP 135 N -0.40 -0.65 -0.76 1.42 3.58 -1.09 -0.76 116.42 117.76 3g3y h ASP 135 Ca 0.11 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 3g3y h ASP 135 Cb 0.58 0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 3g3y h ASP 135 CO -0.43 -0.44 0.36 1.62 -2.88 0.00 0.00 179.24 177.47 3g3y h VAL 136 N -0.71 1.25 -0.56 2.25 3.04 -1.13 -2.06 116.25 118.31 3g3y h VAL 136 Ca -0.06 -0.71 0.04 0.00 -1.01 0.00 0.00 66.70 64.96 3g3y h VAL 136 Cb 0.56 0.27 -0.05 0.00 -2.01 0.00 0.00 31.29 30.07 3g3y h VAL 136 CO 0.09 0.30 0.31 0.78 -1.01 0.00 0.00 177.57 178.03 3g3y h ASN 137 N 1.10 0.46 -0.63 3.17 2.35 -0.92 0.17 115.58 121.28 3g3y h ASN 137 Ca 0.26 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 3g3y h ASN 137 Cb 0.13 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3g3y h ASN 137 CO -0.03 0.31 0.28 -0.09 -1.65 0.00 0.00 177.43 176.25 3g3y h ARG 138 N 0.59 0.92 -0.35 0.81 2.43 -0.65 0.25 114.38 118.39 3g3y h ARG 138 Ca 0.25 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 3g3y h ARG 138 Cb 0.12 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3g3y h ARG 138 CO -0.15 0.75 -0.18 0.93 -1.51 0.00 0.00 179.97 179.81 3g3y h GLU 139 N 0.87 0.74 -0.36 0.20 4.39 -1.13 -2.51 114.58 116.77 3g3y h GLU 139 Ca 0.21 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 3g3y h GLU 139 Cb 0.15 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3g3y h GLU 139 CO -0.02 0.94 0.11 -0.09 -1.16 0.00 0.00 179.01 178.79 3g3y h ARG 140 N 0.52 0.57 0.00 2.33 1.12 -0.34 -2.62 114.38 115.96 3g3y h ARG 140 Ca 0.08 -0.12 -0.06 0.00 -1.11 0.00 0.00 59.98 58.77 3g3y h ARG 140 Cb 0.72 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.59 3g3y h ARG 140 CO 0.05 0.59 -0.27 -0.44 -3.11 0.00 0.00 179.97 176.79 3g3y h ASP 141 N 0.44 0.00 0.00 -3.80 3.32 -0.53 0.17 116.42 116.02 3g3y h ASP 141 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3g3y h ASP 141 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3g3y h ASP 141 CO -0.00 0.27 0.00 -1.54 -1.72 0.00 0.00 179.24 176.24 3g3y n SER 142 N -3.95 0.00 0.00 6.45 3.41 -0.95 -4.87 113.62 113.72 3g3y n SER 142 Ca -0.02 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 3g3y n SER 142 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3g3y n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g3y n GLY 143 N 0.30 0.62 3.75 5.00 0.00 0.05 -5.08 105.19 109.82 3g3y n GLY 143 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3g3y n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3y s ARG 144 N -0.99 4.66 0.35 1.61 1.81 -1.01 -5.02 118.95 120.36 3g3y s ARG 144 Ca 0.00 1.31 -0.27 0.00 -1.72 0.00 0.00 55.73 55.06 3g3y s ARG 144 Cb 0.00 -3.33 -0.09 0.00 -0.45 0.00 0.00 34.95 31.08 3g3y s ARG 144 CO 0.00 0.37 1.10 -0.80 -0.68 0.00 0.00 175.30 175.29 3g3y s ASN 145 N -0.50 6.92 -0.01 0.23 0.01 -1.26 -4.26 114.94 116.06 3g3y s ASN 145 Ca 0.41 2.22 0.02 0.00 -0.71 0.00 0.00 52.86 54.80 3g3y s ASN 145 Cb -0.23 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 38.81 3g3y s ASN 145 CO 0.28 -0.39 -0.08 0.68 -1.51 0.00 0.00 177.10 176.08 3g3y s VAL 146 N -1.39 0.68 -0.14 1.60 -7.23 -1.26 -0.91 120.40 111.74 3g3y s VAL 146 Ca 0.52 -0.34 0.02 0.00 -1.81 0.00 0.00 61.98 60.37 3g3y s VAL 146 Cb -0.28 -0.58 0.01 0.00 0.56 0.00 0.00 36.38 36.08 3g3y s VAL 146 CO 0.36 0.20 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.51 3g3y s ILE 147 N -0.05 2.17 -0.16 -0.62 1.01 -0.09 -2.88 121.20 120.58 3g3y s ILE 147 Ca 0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 3g3y s ILE 147 Cb -0.05 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 3g3y s ILE 147 CO -0.00 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.73 3g3y s ILE 148 N 0.80 2.91 0.11 2.92 1.09 0.23 -0.52 121.20 128.74 3g3y s ILE 148 Ca -0.07 -0.69 0.03 0.00 -1.10 0.00 0.00 60.65 58.82 3g3y s ILE 148 Cb -0.16 -2.24 -0.04 0.00 -1.06 0.00 0.00 42.46 38.96 3g3y s ILE 148 CO -0.01 0.50 -0.08 0.00 -0.10 0.00 0.00 174.94 175.25 3g3y n GLY 150 N 0.03 0.95 3.45 0.00 0.00 -0.89 -1.87 105.19 106.86 3g3y n GLY 150 Ca -0.12 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.55 3g3y n GLY 150 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g3y s ASP 151 N -4.00 6.22 0.09 1.61 2.15 -1.07 -1.68 116.67 119.99 3g3y s ASP 151 Ca 0.00 -0.92 0.28 0.00 0.43 0.00 0.00 52.55 52.34 3g3y s ASP 151 Cb 0.00 -2.27 1.05 0.00 -0.30 0.00 0.00 42.92 41.40 3g3y s ASP 151 CO 0.00 -0.82 1.86 0.49 -0.17 0.00 0.00 175.17 176.53 3g3y n PHE 152 N 5.98 0.39 -2.22 -5.34 3.01 0.11 -1.27 117.46 118.13 3g3y n PHE 152 Ca -0.07 0.11 -0.19 0.00 1.01 0.00 0.00 57.45 58.31 3g3y n PHE 152 Cb 0.45 -0.69 -0.03 0.00 -0.01 0.00 0.00 39.48 39.21 3g3y n PHE 152 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3g3y n ASN 153 N -1.82 -5.33 -3.72 4.37 3.02 -1.24 -4.80 115.26 105.74 3g3y n ASN 153 Ca 0.06 0.13 -0.13 0.00 -0.03 0.00 0.00 54.58 54.62 3g3y n ASN 153 Cb 0.37 -4.51 -0.10 0.00 -0.61 0.00 0.00 39.78 34.93 3g3y n ASN 153 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g3y s THR 154 N -2.86 -0.01 -0.11 3.41 2.01 -1.26 -4.05 115.64 112.77 3g3y s THR 154 Ca 0.00 0.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 3g3y s THR 154 Cb 0.00 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 3g3y s THR 154 CO 0.00 0.01 0.43 0.00 -0.69 0.00 0.00 174.62 174.37 3g3y s ALA 155 N 0.47 3.53 -0.01 7.40 0.00 -0.10 -4.38 121.76 128.67 3g3y s ALA 155 Ca -0.02 -0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.47 3g3y s ALA 155 Cb -0.04 -2.56 -0.13 0.00 0.00 0.00 0.00 23.12 20.39 3g3y s ALA 155 CO -0.02 0.08 0.93 1.25 0.00 0.00 0.00 175.76 178.00 3g3y h HIS 156 N 6.46 -0.71 -1.13 0.00 2.76 -1.88 -3.44 115.15 117.21 3g3y h HIS 156 Ca -0.42 -0.02 -0.64 0.00 -2.20 0.00 0.00 60.37 57.09 3g3y h HIS 156 Cb 1.18 0.23 -0.13 0.00 1.55 0.00 0.00 27.41 30.24 3g3y h HIS 156 CO 0.63 -0.43 -0.54 1.03 -1.30 0.00 0.00 177.93 177.32 3g3y s ARG 157 N -4.15 2.07 0.49 5.26 0.52 -1.26 -4.79 118.95 117.09 3g3y s ARG 157 Ca -0.12 -2.27 0.21 0.00 -0.52 0.00 0.00 55.73 53.03 3g3y s ARG 157 Cb 0.01 -1.39 1.27 0.00 0.52 0.00 0.00 34.95 35.36 3g3y s ARG 157 CO 0.36 -0.29 2.06 0.93 0.02 0.00 0.00 175.30 178.38 3g3y h GLU 158 N 1.56 0.00 0.00 3.54 5.08 -1.91 -0.38 114.58 122.47 3g3y h GLU 158 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3g3y h GLU 158 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3g3y h GLU 158 CO 0.73 0.13 0.00 0.97 -1.00 0.00 0.00 179.01 179.84 3g3y h ILE 159 N 0.00 0.00 -0.71 3.13 2.10 -1.99 -3.15 117.51 116.89 3g3y h ILE 159 Ca -0.00 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.80 3g3y h ILE 159 Cb 0.27 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 3g3y h ILE 159 CO 0.02 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.56 3g3y n ASP 160 N -2.32 3.92 -3.64 2.19 8.00 -0.15 -4.19 116.55 120.36 3g3y n ASP 160 Ca 0.00 -2.00 -0.15 0.00 0.71 0.00 0.00 54.79 53.35 3g3y n ASP 160 Cb 0.15 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 40.70 3g3y n ASP 160 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3g3y s LEU 161 N -1.04 -0.09 0.29 0.64 2.34 -1.19 -0.29 118.68 119.34 3g3y s LEU 161 Ca 0.48 0.69 -0.00 0.00 0.06 0.00 0.00 54.13 55.36 3g3y s LEU 161 Cb 0.25 2.00 0.43 0.00 -0.56 0.00 0.00 46.19 48.31 3g3y s LEU 161 CO 0.33 -0.43 1.82 0.00 -1.06 0.00 0.00 176.35 177.01 3g3y h ALA 162 N 3.97 1.22 -2.29 1.48 0.00 -1.67 -3.37 119.26 118.60 3g3y h ALA 162 Ca -0.28 -0.22 -0.66 0.00 0.00 0.00 0.00 54.91 53.75 3g3y h ALA 162 Cb 1.16 -0.20 -0.38 0.00 0.00 0.00 0.00 17.79 18.38 3g3y h ALA 162 CO 0.31 0.53 -0.20 0.54 0.00 0.00 0.00 179.25 180.43 3g3y n ARG 163 N -4.26 2.95 -0.04 0.00 5.12 -1.26 -4.93 116.66 114.24 3g3y n ARG 163 Ca 0.03 -4.61 -0.14 0.00 -1.93 0.00 0.00 57.85 51.20 3g3y n ARG 163 Cb 0.25 -2.34 -0.09 0.00 -1.16 0.00 0.00 32.46 29.12 3g3y n ARG 163 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g3y h PRO 164 N 4.81 0.28 -0.70 5.56 0.13 -1.87 -3.21 132.00 137.01 3g3y h PRO 164 Ca 0.19 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 3g3y h PRO 164 Cb 0.68 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 3g3y h PRO 164 CO 0.95 0.82 0.37 0.87 -0.23 0.00 0.00 178.00 180.78 3g3y h LYS 165 N -0.20 0.99 0.00 0.86 6.56 -1.96 -2.42 116.57 120.40 3g3y h LYS 165 Ca -0.01 -0.13 -0.00 0.00 -1.06 0.00 0.00 60.65 59.46 3g3y h LYS 165 Cb 0.84 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 32.31 3g3y h LYS 165 CO 0.05 0.75 -0.01 0.93 -2.06 0.00 0.00 179.45 179.11 3g3y h GLU 166 N 0.97 0.00 -0.01 3.15 4.39 -1.98 -3.15 114.58 117.95 3g3y h GLU 166 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3g3y h GLU 166 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3g3y h GLU 166 CO -0.04 0.01 0.00 0.09 -1.16 0.00 0.00 179.01 177.92 3g3y n ASN 167 N -3.19 1.31 0.07 1.42 3.02 -1.04 -4.64 115.26 112.21 3g3y n ASN 167 Ca -0.02 -1.20 0.04 0.00 -0.03 0.00 0.00 54.58 53.36 3g3y n ASN 167 Cb 0.15 -0.01 0.19 0.00 -0.61 0.00 0.00 39.78 39.50 3g3y n ASN 167 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3g3y n SER 168 N 0.09 0.18 -0.22 6.41 7.64 -0.94 0.01 113.62 126.79 3g3y n SER 168 Ca 0.02 0.51 0.05 0.00 1.01 0.00 0.00 58.87 60.45 3g3y n SER 168 Cb 0.09 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3g3y n SER 168 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3g3y n ASN 169 N -1.71 1.20 -4.74 6.43 5.15 -1.26 -4.53 115.26 115.80 3g3y n ASN 169 Ca -0.00 -1.10 -0.36 0.00 -0.60 0.00 0.00 54.58 52.52 3g3y n ASN 169 Cb 0.13 0.45 -0.08 0.00 -0.53 0.00 0.00 39.78 39.75 3g3y n ASN 169 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3g3y s VAL 170 N -1.29 4.81 0.23 3.44 1.01 0.10 -4.97 120.40 123.73 3g3y s VAL 170 Ca 0.08 -0.05 -0.32 0.00 0.00 0.00 0.00 61.98 61.69 3g3y s VAL 170 Cb 0.08 -3.08 -0.13 0.00 0.00 0.00 0.00 36.38 33.24 3g3y s VAL 170 CO 0.23 0.58 1.45 -0.24 0.00 0.00 0.00 175.10 177.13 3g3y n SER 171 N 2.36 2.90 0.00 3.32 2.88 -1.26 -2.09 113.62 121.72 3g3y n SER 171 Ca -0.19 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 3g3y n SER 171 Cb 0.54 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 3g3y n SER 171 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g3y n GLY 172 N 2.40 1.82 0.40 0.46 0.00 -1.26 -4.77 105.19 104.24 3g3y n GLY 172 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3g3y n GLY 172 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g3y n PHE 173 N -0.90 0.00 -1.84 1.61 7.35 -0.89 -0.92 117.46 121.87 3g3y n PHE 173 Ca 0.00 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 3g3y n PHE 173 Cb 0.00 0.12 0.04 0.00 0.35 0.00 0.00 39.48 39.98 3g3y n PHE 173 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3g3y s LEU 174 N 0.00 3.85 0.53 -2.13 1.43 -1.14 -4.57 118.68 116.66 3g3y s LEU 174 Ca 0.00 2.70 0.22 0.00 -1.03 0.00 0.00 54.13 56.02 3g3y s LEU 174 Cb 0.00 -4.29 1.44 0.00 0.03 0.00 0.00 46.19 43.37 3g3y s LEU 174 CO 0.00 -1.52 2.15 1.55 0.23 0.00 0.00 176.35 178.76 3g3y h PRO 175 N 1.48 0.00 -0.27 1.29 0.13 -1.94 -1.46 132.00 131.22 3g3y h PRO 175 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 3g3y h PRO 175 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3g3y h PRO 175 CO 0.57 0.05 0.10 0.28 -0.23 0.00 0.00 178.00 178.77 3g3y h VAL 176 N 0.00 1.19 -0.40 1.56 2.07 -1.98 -0.97 116.25 117.73 3g3y h VAL 176 Ca -0.00 -0.58 -0.12 0.00 0.82 0.00 0.00 66.70 66.82 3g3y h VAL 176 Cb 0.10 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3g3y h VAL 176 CO 0.01 0.19 -0.22 -0.33 0.02 0.00 0.00 177.57 177.24 3g3y h GLU 177 N 0.29 0.85 -0.19 1.57 5.08 -1.81 -2.87 114.58 117.49 3g3y h GLU 177 Ca 0.09 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 3g3y h GLU 177 Cb 0.21 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3g3y h GLU 177 CO -0.01 1.02 -0.17 0.00 -1.00 0.00 0.00 179.01 178.86 3g3y h ARG 178 N 0.65 0.31 -0.37 2.33 3.08 -1.21 -2.77 114.38 116.41 3g3y h ARG 178 Ca 0.08 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3g3y h ARG 178 Cb 0.78 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3g3y h ARG 178 CO 0.06 0.48 -0.29 0.00 -1.07 0.00 0.00 179.97 179.16 3g3y h ALA 179 N 1.54 0.81 -0.74 0.04 0.00 -1.07 -2.47 119.26 117.37 3g3y h ALA 179 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3g3y h ALA 179 Cb 0.47 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3g3y h ALA 179 CO 0.03 0.65 0.49 2.35 0.00 0.00 0.00 179.25 182.76 3g3y h TRP 180 N 0.66 0.93 -0.62 0.00 7.01 -1.27 0.92 115.95 123.58 3g3y h TRP 180 Ca 0.08 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.03 3g3y h TRP 180 Cb 0.82 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.54 3g3y h TRP 180 CO 0.04 0.58 0.11 0.82 -2.79 0.00 0.00 178.44 177.20 3g3y h ILE 181 N 1.00 1.25 -0.55 2.65 2.04 -1.40 0.37 117.51 122.86 3g3y h ILE 181 Ca 0.27 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.20 3g3y h ILE 181 Cb -0.11 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3g3y h ILE 181 CO -0.06 0.36 0.31 0.44 0.00 0.00 0.00 178.15 179.20 3g3y h ASP 182 N 0.95 0.47 -0.25 1.72 3.32 -0.87 0.27 116.42 122.02 3g3y h ASP 182 Ca 0.19 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 3g3y h ASP 182 Cb 0.39 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3g3y h ASP 182 CO 0.01 0.33 -0.02 0.50 -1.72 0.00 0.00 179.24 178.34 3g3y h LYS 183 N 0.60 0.46 -0.18 3.56 3.64 -0.36 0.39 116.57 124.68 3g3y h LYS 183 Ca 0.24 -0.16 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3g3y h LYS 183 Cb 0.09 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 3g3y h LYS 183 CO -0.14 0.65 -0.15 0.35 -2.27 0.00 0.00 179.45 177.89 3g3y h PHE 184 N 0.23 -0.37 -0.25 1.91 3.57 -0.06 -0.45 116.94 121.52 3g3y h PHE 184 Ca 0.07 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3g3y h PHE 184 Cb 0.45 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3g3y h PHE 184 CO 0.04 -0.22 0.15 0.82 -2.23 0.00 0.00 178.31 176.87 3g3y h ILE 185 N -0.16 1.04 -0.38 1.41 2.04 -0.89 -2.08 117.51 118.50 3g3y h ILE 185 Ca 0.11 -0.11 0.11 0.00 1.00 0.00 0.00 64.86 65.97 3g3y h ILE 185 Cb 0.32 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3g3y h ILE 185 CO -0.28 0.06 0.42 -0.08 0.00 0.00 0.00 178.15 178.27 3g3y h GLU 186 N 0.31 0.00 -0.04 2.37 4.57 -0.39 -0.01 114.58 121.39 3g3y h GLU 186 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3g3y h GLU 186 Cb -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3g3y h GLU 186 CO -0.04 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.88 3g3y n ASN 187 N -3.69 0.23 -0.04 1.04 5.03 -0.22 -4.86 115.26 112.76 3g3y n ASN 187 Ca 0.07 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.55 3g3y n ASN 187 Cb 0.59 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.32 3g3y n ASN 187 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3g3y n GLY 188 N 0.59 1.34 3.23 7.41 0.00 -0.06 -5.00 105.19 112.70 3g3y n GLY 188 Ca 0.02 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 3g3y n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3y s TYR 189 N -2.07 1.54 -0.08 1.61 1.51 -0.93 -0.46 117.35 118.47 3g3y s TYR 189 Ca 0.00 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 3g3y s TYR 189 Cb 0.00 -0.86 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 3g3y s TYR 189 CO 0.00 0.13 -0.14 0.08 -1.11 0.00 0.00 175.55 174.52 3g3y s VAL 190 N -1.17 1.29 -0.62 0.71 1.01 0.11 -4.43 120.40 117.31 3g3y s VAL 190 Ca 0.03 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 3g3y s VAL 190 Cb -0.10 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3g3y s VAL 190 CO 0.03 0.39 1.70 -0.62 0.00 0.00 0.00 175.10 176.61 3g3y s ASP 191 N 0.77 5.56 0.22 3.32 -1.08 -1.26 -1.75 116.67 122.44 3g3y s ASP 191 Ca -0.12 0.23 -0.09 0.00 -0.52 0.00 0.00 52.55 52.05 3g3y s ASP 191 Cb -0.16 -2.54 0.19 0.00 -1.46 0.00 0.00 42.92 38.96 3g3y s ASP 191 CO 0.02 -2.17 1.88 0.71 0.52 0.00 0.00 175.17 176.13 3g3y h THR 192 N 6.67 1.23 -0.99 1.71 1.35 -1.56 -2.08 112.91 119.23 3g3y h THR 192 Ca -0.27 -0.47 0.05 0.00 -0.55 0.00 0.00 66.41 65.18 3g3y h THR 192 Cb 1.13 0.03 -0.06 0.00 -1.73 0.00 0.00 68.15 67.52 3g3y h THR 192 CO 1.22 0.23 0.64 0.15 -0.25 0.00 0.00 175.52 177.51 3g3y h PHE 193 N 1.15 1.20 0.00 4.73 3.57 -1.80 -0.30 116.94 125.48 3g3y h PHE 193 Ca 0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.83 3g3y h PHE 193 Cb -0.08 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.26 3g3y h PHE 193 CO -0.01 0.65 0.00 0.54 -2.23 0.00 0.00 178.31 177.27 3g3y n ARG 194 N -4.48 0.52 0.19 1.11 5.12 -0.79 -1.44 116.66 116.88 3g3y n ARG 194 Ca 0.14 0.03 0.09 0.00 -1.93 0.00 0.00 57.85 56.19 3g3y n ARG 194 Cb 0.14 -1.50 0.12 0.00 -1.16 0.00 0.00 32.46 30.06 3g3y n ARG 194 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 3g3y h MET 195 N 0.00 0.00 0.00 5.56 2.86 -1.01 -3.40 114.93 118.94 3g3y h MET 195 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g3y h MET 195 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3g3y h MET 195 CO 0.00 0.15 -0.99 1.19 1.06 0.00 0.00 176.91 178.32 3g3y n PHE 196 N -3.12 0.00 -3.78 -0.22 3.72 -0.82 -5.03 117.46 108.21 3g3y n PHE 196 Ca 0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.19 3g3y n PHE 196 Cb 0.60 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.96 3g3y n PHE 196 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3g3y s ASN 197 N -2.72 1.81 0.00 4.37 3.84 -0.52 -5.00 114.94 116.71 3g3y s ASN 197 Ca 0.00 -0.20 0.12 0.00 0.21 0.00 0.00 52.86 52.99 3g3y s ASN 197 Cb 0.00 -0.50 0.22 0.00 -0.55 0.00 0.00 41.25 40.42 3g3y s ASN 197 CO 0.00 -0.20 1.08 -1.54 -2.79 0.00 0.00 177.10 173.65 3g3y n SER 198 N 5.12 2.52 -4.77 -4.21 3.41 -1.26 -4.30 113.62 110.12 3g3y n SER 198 Ca -0.08 -1.76 -0.37 0.00 -0.26 0.00 0.00 58.87 56.40 3g3y n SER 198 Cb 0.50 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 3g3y n SER 198 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3g3y s ASP 199 N -1.01 6.12 0.96 4.04 -0.00 -1.26 -5.06 116.67 120.46 3g3y s ASP 199 Ca 0.20 2.34 -0.15 0.00 -0.00 0.00 0.00 52.55 54.94 3g3y s ASP 199 Cb 0.12 -2.61 0.18 0.00 -0.00 0.00 0.00 42.92 40.61 3g3y s ASP 199 CO 0.16 -0.95 1.25 -2.16 -0.00 0.00 0.00 175.17 173.47 3g3y s PRO 200 N -2.69 0.71 -0.05 8.23 0.04 -1.26 -4.35 135.00 135.62 3g3y s PRO 200 Ca 0.64 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.48 3g3y s PRO 200 Cb -0.29 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3g3y s PRO 200 CO 0.36 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 175.41 3g3y n GLY 201 N -3.18 0.45 3.40 0.56 0.00 -1.26 -4.99 105.19 100.17 3g3y n GLY 201 Ca 0.13 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3g3y n GLY 201 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3y s GLN 202 N -0.59 3.04 0.17 1.61 -1.52 -1.26 -5.05 119.66 116.06 3g3y s GLN 202 Ca 0.00 -1.20 0.07 0.00 -1.95 0.00 0.00 55.36 52.27 3g3y s GLN 202 Cb 0.00 -4.14 -0.04 0.00 -0.22 0.00 0.00 33.01 28.61 3g3y s GLN 202 CO 0.00 -1.15 -0.14 0.71 -0.25 0.00 0.00 175.29 174.46 3g3y s TYR 203 N 2.06 1.57 0.00 0.91 4.12 -1.26 -4.40 117.35 120.34 3g3y s TYR 203 Ca 0.08 -0.59 0.00 0.00 0.02 0.00 0.00 57.07 56.59 3g3y s TYR 203 Cb -0.23 -0.77 0.00 0.00 -1.52 0.00 0.00 41.96 39.44 3g3y s TYR 203 CO 0.08 0.25 0.00 0.25 0.02 0.00 0.00 175.55 176.15 3g3y n THR 204 N -0.01 0.00 -4.20 -0.71 -2.24 0.11 -4.89 114.28 102.34 3g3y n THR 204 Ca -0.11 -0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.21 3g3y n THR 204 Cb 0.59 0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 3g3y n THR 204 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3g3y s TRP 205 N -1.13 0.54 -0.01 4.78 -0.00 0.14 -0.68 118.94 122.58 3g3y s TRP 205 Ca 0.00 -0.10 0.02 0.00 -0.00 0.00 0.00 56.10 56.02 3g3y s TRP 205 Cb 0.00 -0.36 -0.00 0.00 -0.00 0.00 0.00 33.47 33.11 3g3y s TRP 205 CO 0.00 -0.02 -0.07 -1.58 -0.00 0.00 0.00 176.95 175.28 3g3y s TRP 206 N -0.08 0.67 0.34 5.86 0.51 -0.68 -0.21 118.94 125.36 3g3y s TRP 206 Ca 0.01 -0.13 -0.28 0.00 -2.12 0.00 0.00 56.10 53.58 3g3y s TRP 206 Cb -0.03 -0.45 -0.12 0.00 -0.81 0.00 0.00 33.47 32.05 3g3y s TRP 206 CO -0.00 -0.03 1.28 0.45 -0.51 0.00 0.00 176.95 178.14 3g3y n SER 207 N 3.05 2.73 0.21 2.95 2.88 -1.26 -4.78 113.62 119.40 3g3y n SER 207 Ca -0.15 1.21 0.08 0.00 -1.33 0.00 0.00 58.87 58.67 3g3y n SER 207 Cb 0.57 -1.48 0.46 0.00 -0.75 0.00 0.00 64.21 63.00 3g3y n SER 207 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3g3y h TYR 208 N 2.53 0.00 -3.76 0.66 0.99 -1.99 -3.35 116.97 112.05 3g3y h TYR 208 Ca -0.46 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 59.78 3g3y h TYR 208 Cb 1.28 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.99 3g3y h TYR 208 CO 0.51 0.29 0.26 1.03 -0.00 0.00 0.00 178.16 180.24 3g3y s ARG 209 N -3.86 4.48 -1.24 4.88 0.52 -1.26 -4.20 118.95 118.28 3g3y s ARG 209 Ca -0.01 1.17 -0.01 0.00 -0.52 0.00 0.00 55.73 56.37 3g3y s ARG 209 Cb 0.12 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.73 3g3y s ARG 209 CO 0.66 0.34 0.10 0.25 0.02 0.00 0.00 175.30 176.67 3g3y n THR 210 N 0.69 -0.88 -3.13 0.02 -2.24 -1.26 -3.50 114.28 103.97 3g3y n THR 210 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 3g3y n THR 210 Cb 0.50 -2.39 0.02 0.00 -2.10 0.00 0.00 70.33 66.36 3g3y n THR 210 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g3y n ARG 211 N -2.58 -4.21 -0.29 -0.78 1.74 -1.26 -4.87 116.66 104.40 3g3y n ARG 211 Ca -0.16 0.73 -0.05 0.00 -0.77 0.00 0.00 57.85 57.61 3g3y n ARG 211 Cb 0.62 -5.52 0.07 0.00 -1.02 0.00 0.00 32.46 26.61 3g3y n ARG 211 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g3y h ALA 212 N 0.99 1.01 -0.41 7.54 0.00 -1.69 -1.36 119.26 125.34 3g3y h ALA 212 Ca -0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 3g3y h ALA 212 Cb 1.33 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3g3y h ALA 212 CO 0.55 0.49 0.25 -0.09 0.00 0.00 0.00 179.25 180.45 3g3y h ARG 213 N 1.09 0.56 0.00 0.00 2.43 -1.82 0.29 114.38 116.92 3g3y h ARG 213 Ca 0.28 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 3g3y h ARG 213 Cb -0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3g3y h ARG 213 CO -0.05 0.41 -0.41 1.49 -1.51 0.00 0.00 179.97 179.89 3g3y h GLU 214 N 0.55 0.00 -0.00 0.20 4.81 -1.89 -0.32 114.58 117.92 3g3y h GLU 214 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3g3y h GLU 214 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3g3y h GLU 214 CO -0.03 0.41 -0.03 0.54 -0.73 0.00 0.00 179.01 179.18 3g3y n ARG 215 N -3.50 1.07 -3.99 1.92 1.74 -0.54 -4.95 116.66 108.41 3g3y n ARG 215 Ca -0.00 -0.30 -0.32 0.00 -0.77 0.00 0.00 57.85 56.46 3g3y n ARG 215 Cb 0.55 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.51 3g3y n ARG 215 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3g3y n ASN 216 N -0.70 -4.43 -4.35 0.55 5.15 0.79 -4.94 115.26 107.33 3g3y n ASN 216 Ca 0.20 -0.83 -0.46 0.00 -0.60 0.00 0.00 54.58 52.88 3g3y n ASN 216 Cb 0.22 -3.55 -0.02 0.00 -0.53 0.00 0.00 39.78 35.90 3g3y n ASN 216 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3g3y s VAL 217 N -3.28 5.54 0.02 3.44 1.01 0.15 -4.87 120.40 122.40 3g3y s VAL 217 Ca 0.69 -2.44 0.00 0.00 0.00 0.00 0.00 61.98 60.23 3g3y s VAL 217 Cb -0.35 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.51 3g3y s VAL 217 CO 0.85 -1.10 0.01 0.61 0.00 0.00 0.00 175.10 175.47 3g3y n GLY 218 N 4.06 3.98 3.13 4.51 0.00 -1.26 -4.45 105.19 115.16 3g3y n GLY 218 Ca 0.16 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 3g3y n GLY 218 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3g3y s TRP 219 N -2.01 1.02 -0.52 1.61 0.52 0.71 -1.96 118.94 118.30 3g3y s TRP 219 Ca 0.02 -0.48 -0.19 0.00 0.02 0.00 0.00 56.10 55.47 3g3y s TRP 219 Cb 0.00 -0.58 0.07 0.00 -1.15 0.00 0.00 33.47 31.81 3g3y s TRP 219 CO 0.01 0.01 0.61 0.50 0.02 0.00 0.00 176.95 178.10 3g3y s ARG 220 N -1.72 3.09 -0.00 4.98 3.52 0.60 0.05 118.95 129.47 3g3y s ARG 220 Ca -0.05 -1.05 0.05 0.00 -0.13 0.00 0.00 55.73 54.56 3g3y s ARG 220 Cb -0.10 -4.14 -0.07 0.00 -1.56 0.00 0.00 34.95 29.08 3g3y s ARG 220 CO 0.02 -1.27 0.18 1.28 -0.81 0.00 0.00 175.30 174.70 3g3y n LEU 221 N 6.08 0.14 -4.35 -0.88 4.77 -1.26 -3.96 117.00 117.53 3g3y n LEU 221 Ca -0.08 -0.27 -0.36 0.00 -0.03 0.00 0.00 56.01 55.27 3g3y n LEU 221 Cb 0.44 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 3g3y n LEU 221 CO 0.54 0.03 -0.32 -1.81 -1.33 0.00 0.00 177.39 174.50 3g3y s ASP 222 N -2.03 4.80 0.12 -1.43 1.01 -1.26 0.08 116.67 117.95 3g3y s ASP 222 Ca 0.00 -0.46 0.08 0.00 0.71 0.00 0.00 52.55 52.88 3g3y s ASP 222 Cb 0.04 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 42.10 3g3y s ASP 222 CO 0.23 -0.08 -0.19 -0.31 0.21 0.00 0.00 175.17 175.02 3g3y s TYR 223 N 1.52 1.72 -0.25 4.23 1.51 -0.68 -4.96 117.35 120.45 3g3y s TYR 223 Ca 0.05 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.59 3g3y s TYR 223 Cb -0.16 -0.92 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 3g3y s TYR 223 CO 0.00 0.22 0.07 -0.06 -1.11 0.00 0.00 175.55 174.68 3g3y s PHE 224 N -1.47 3.09 0.03 2.71 0.40 -1.26 -2.09 117.98 119.38 3g3y s PHE 224 Ca 0.08 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 3g3y s PHE 224 Cb -0.09 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 3g3y s PHE 224 CO 0.05 -0.34 -0.04 -0.06 0.70 0.00 0.00 175.22 175.52 3g3y s PHE 225 N 1.58 2.93 0.11 0.36 0.40 0.15 -1.27 117.98 122.23 3g3y s PHE 225 Ca 0.06 -0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.43 3g3y s PHE 225 Cb -0.15 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 3g3y s PHE 225 CO 0.04 0.41 -0.14 0.14 0.70 0.00 0.00 175.22 176.37 3g3y s VAL 226 N -1.09 1.29 0.63 -0.44 -7.23 -0.72 -0.61 120.40 112.24 3g3y s VAL 226 Ca 0.19 -1.65 -0.18 0.00 -1.81 0.00 0.00 61.98 58.54 3g3y s VAL 226 Cb -0.11 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 3g3y s VAL 226 CO 0.10 -0.39 1.20 0.54 -0.31 0.00 0.00 175.10 176.25 3g3y s ASN 227 N -2.34 4.97 0.17 4.85 4.22 -1.14 0.08 114.94 125.75 3g3y s ASN 227 Ca 0.07 2.36 -0.15 0.00 -2.14 0.00 0.00 52.86 52.99 3g3y s ASN 227 Cb -0.06 -2.59 0.13 0.00 1.28 0.00 0.00 41.25 40.01 3g3y s ASN 227 CO 0.03 -1.74 1.69 -0.33 -2.04 0.00 0.00 177.10 174.71 3g3y h GLU 228 N 0.57 0.10 -0.45 3.55 4.39 -1.11 -2.37 114.58 119.25 3g3y h GLU 228 Ca -0.50 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.33 3g3y h GLU 228 Cb 1.29 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 3g3y h GLU 228 CO 0.54 0.07 0.38 0.93 -1.16 0.00 0.00 179.01 179.77 3g3y h GLU 229 N 0.10 0.00 -0.01 2.33 3.07 -1.92 -2.06 114.58 116.09 3g3y h GLU 229 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3g3y h GLU 229 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3g3y h GLU 229 CO -0.35 0.00 -0.75 0.34 -1.40 0.00 0.00 179.01 176.84 3g3y n PHE 230 N -4.08 0.00 0.20 4.33 7.35 -0.90 -4.57 117.46 119.79 3g3y n PHE 230 Ca 0.08 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.84 3g3y n PHE 230 Cb 0.58 -0.01 0.57 0.00 0.35 0.00 0.00 39.48 40.97 3g3y n PHE 230 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 3g3y h LYS 231 N 1.07 0.10 0.00 -4.13 2.10 -1.30 -0.57 116.57 113.84 3g3y h LYS 231 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3g3y h LYS 231 Cb 0.61 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 3g3y h LYS 231 CO 0.00 0.11 0.00 0.41 -2.00 0.00 0.00 179.45 177.97 3g3y n GLY 232 N -1.41 -0.73 0.09 0.07 0.00 -1.26 -2.09 105.19 99.85 3g3y n GLY 232 Ca -0.02 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3g3y n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3y h LYS 233 N 0.00 0.00 -5.99 1.61 6.56 -1.40 -3.45 116.57 113.89 3g3y h LYS 233 Ca 0.00 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 59.01 3g3y h LYS 233 Cb 0.13 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.72 3g3y h LYS 233 CO 0.00 0.00 0.70 0.14 -2.06 0.00 0.00 179.45 178.23 3g3y s VAL 234 N -3.24 4.73 -0.03 0.50 -7.23 -0.89 0.18 120.40 114.42 3g3y s VAL 234 Ca 0.04 1.89 -0.05 0.00 -1.81 0.00 0.00 61.98 62.05 3g3y s VAL 234 Cb 0.12 -4.25 -0.28 0.00 0.56 0.00 0.00 36.38 32.53 3g3y s VAL 234 CO 0.75 -0.14 0.73 0.11 -0.31 0.00 0.00 175.10 176.23 3g3y h LYS 235 N 7.51 0.28 -3.04 4.82 1.79 -1.10 -3.48 116.57 123.36 3g3y h LYS 235 Ca -0.20 -0.47 -0.04 0.00 -2.18 0.00 0.00 60.65 57.75 3g3y h LYS 235 Cb 1.07 0.18 -0.13 0.00 -1.58 0.00 0.00 32.23 31.76 3g3y h LYS 235 CO 0.95 1.14 0.08 -0.98 -1.08 0.00 0.00 179.45 179.56 3g3y s ARG 236 N -2.60 1.15 -0.21 3.15 1.70 -1.11 -5.00 118.95 116.04 3g3y s ARG 236 Ca -0.12 -0.47 -0.04 0.00 -0.47 0.00 0.00 55.73 54.63 3g3y s ARG 236 Cb 0.06 0.52 0.09 0.00 -0.57 0.00 0.00 34.95 35.06 3g3y s ARG 236 CO 0.84 -0.47 0.21 0.45 -1.08 0.00 0.00 175.30 175.25 3g3y s SER 237 N -2.55 1.54 0.27 -2.89 0.15 -1.26 -0.93 113.70 108.03 3g3y s SER 237 Ca -0.00 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.36 3g3y s SER 237 Cb 0.00 0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 64.56 3g3y s SER 237 CO -0.10 -0.34 0.05 -1.66 1.20 0.00 0.00 173.24 172.40 3g3y s TRP 238 N 2.30 1.66 -0.17 3.44 -2.14 -0.65 -4.55 118.94 118.84 3g3y s TRP 238 Ca 0.07 -1.03 -0.04 0.00 2.66 0.00 0.00 56.10 57.75 3g3y s TRP 238 Cb -0.16 -1.01 -0.02 0.00 -3.10 0.00 0.00 33.47 29.18 3g3y s TRP 238 CO -0.14 -0.14 -0.03 0.42 -2.66 0.00 0.00 176.95 174.40 3g3y s ILE 239 N -3.52 3.83 -1.29 0.66 1.01 -1.26 -0.38 121.20 120.24 3g3y s ILE 239 Ca 0.34 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 3g3y s ILE 239 Cb 0.07 -2.70 0.15 0.00 0.01 0.00 0.00 42.46 40.00 3g3y s ILE 239 CO 0.12 0.47 1.87 0.18 0.00 0.00 0.00 174.94 177.58 3g3y n LEU 240 N 3.86 6.50 0.19 2.97 4.32 -0.63 -4.84 117.00 129.38 3g3y n LEU 240 Ca -0.17 -4.56 0.12 0.00 -0.02 0.00 0.00 56.01 51.37 3g3y n LEU 240 Cb 0.52 -1.52 0.67 0.00 -1.62 0.00 0.00 43.42 41.47 3g3y n LEU 240 CO 0.32 1.26 1.11 0.28 -1.22 0.00 0.00 177.39 179.14 3g3y h SER 241 N 5.94 0.00 0.22 -1.43 0.02 -1.92 -2.85 113.55 113.53 3g3y h SER 241 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3g3y h SER 241 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3g3y h SER 241 CO 1.61 0.00 -0.19 0.47 -1.14 0.00 0.00 176.83 177.58 3g3y n ASP 242 N -4.45 0.99 -4.65 3.07 8.00 -1.26 -4.80 116.55 113.45 3g3y n ASP 242 Ca 0.01 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.16 3g3y n ASP 242 Cb 0.24 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.38 3g3y n ASP 242 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3g3y s VAL 243 N -2.42 4.82 0.53 2.53 1.01 -1.08 -5.04 120.40 120.75 3g3y s VAL 243 Ca 0.27 1.67 0.06 0.00 0.00 0.00 0.00 61.98 63.98 3g3y s VAL 243 Cb 0.20 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3g3y s VAL 243 CO 0.49 -0.07 0.39 -0.04 0.00 0.00 0.00 175.10 175.86 3g3y s MET 244 N 2.74 2.27 0.00 2.72 -1.94 -1.26 -4.68 119.30 119.15 3g3y s MET 244 Ca 0.37 -1.98 0.00 0.00 -1.71 0.00 0.00 55.69 52.37 3g3y s MET 244 Cb -0.16 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.58 3g3y s MET 244 CO 0.08 -0.56 0.00 0.41 -0.01 0.00 0.00 175.02 174.94 3g3y n GLY 245 N -1.72 1.75 3.22 -0.03 0.00 -1.26 -5.07 105.19 102.09 3g3y n GLY 245 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 3g3y n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g3y s SER 246 N -1.69 0.18 0.14 1.61 0.15 -1.26 -4.63 113.70 108.20 3g3y s SER 246 Ca 0.00 -1.23 0.24 0.00 0.70 0.00 0.00 55.95 55.66 3g3y s SER 246 Cb 0.00 0.37 0.93 0.00 -1.71 0.00 0.00 66.02 65.61 3g3y s SER 246 CO 0.00 -0.83 1.75 -0.90 1.20 0.00 0.00 173.24 174.46 3g3y n ASP 247 N -0.21 0.46 -4.78 5.45 5.75 -1.26 -4.66 116.55 117.29 3g3y n ASP 247 Ca -0.02 0.57 -0.30 0.00 -0.01 0.00 0.00 54.79 55.02 3g3y n ASP 247 Cb 0.64 -0.68 -0.06 0.00 -1.03 0.00 0.00 41.12 39.99 3g3y n ASP 247 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3g3y s HIS 248 N -3.11 3.20 0.27 2.11 3.76 -1.26 -1.68 115.29 118.58 3g3y s HIS 248 Ca 0.09 0.08 0.07 0.00 -0.15 0.00 0.00 55.06 55.16 3g3y s HIS 248 Cb 0.13 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.16 3g3y s HIS 248 CO 0.48 0.52 0.21 0.00 -0.85 0.00 0.00 174.74 175.10 3g3y s PRO 250 N -3.87 2.04 0.05 0.00 0.02 -1.26 -4.69 135.00 127.29 3g3y s PRO 250 Ca 0.34 0.89 0.06 0.00 0.02 0.00 0.00 61.00 62.31 3g3y s PRO 250 Cb -0.07 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 3g3y s PRO 250 CO 0.25 -1.72 -0.16 0.96 -0.33 0.00 0.00 177.00 176.00 3g3y s ILE 251 N -3.00 1.28 0.07 2.83 -4.36 0.45 -1.60 121.20 116.87 3g3y s ILE 251 Ca 0.61 -1.13 0.06 0.00 -0.26 0.00 0.00 60.65 59.94 3g3y s ILE 251 Cb -0.16 -1.16 -0.04 0.00 1.25 0.00 0.00 42.46 42.35 3g3y s ILE 251 CO 0.56 0.01 -0.10 -0.83 0.24 0.00 0.00 174.94 174.82 3g3y s GLY 252 N -1.29 1.76 -0.01 6.27 0.00 0.48 -0.71 107.32 113.83 3g3y s GLY 252 Ca 0.03 -1.18 0.04 0.00 0.00 0.00 0.00 44.72 43.61 3g3y s GLY 252 CO 0.02 -1.13 -0.13 -2.27 0.00 0.00 0.00 173.10 169.59 3g3y s LEU 253 N -1.94 2.01 -0.12 0.66 2.96 0.98 -1.63 118.68 121.61 3g3y s LEU 253 Ca 0.20 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3g3y s LEU 253 Cb -0.11 -0.69 0.02 0.00 0.50 0.00 0.00 46.19 45.91 3g3y s LEU 253 CO 0.11 0.16 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.53 3g3y s GLU 254 N -0.29 2.39 0.02 1.98 2.02 -0.11 -0.42 118.70 124.30 3g3y s GLU 254 Ca 0.05 -0.62 0.07 0.00 0.02 0.00 0.00 54.97 54.49 3g3y s GLU 254 Cb -0.05 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 3g3y s GLU 254 CO -0.00 -0.09 -0.21 0.96 0.02 0.00 0.00 175.26 175.93 3g3y s ILE 255 N 1.07 2.52 -0.20 -1.63 -4.36 0.12 -0.48 121.20 118.24 3g3y s ILE 255 Ca -0.04 -1.17 -0.09 0.00 -0.26 0.00 0.00 60.65 59.10 3g3y s ILE 255 Cb -0.15 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 3g3y s ILE 255 CO -0.04 0.42 0.10 -0.70 0.24 0.00 0.00 174.94 174.96 3g3y s GLU 256 N -1.15 4.05 -0.06 0.37 -6.30 0.13 -0.08 118.70 115.65 3g3y s GLU 256 Ca 0.13 -0.30 0.01 0.00 -2.50 0.00 0.00 54.97 52.31 3g3y s GLU 256 Cb -0.10 -3.33 0.02 0.00 0.00 0.00 0.00 34.13 30.71 3g3y s GLU 256 CO 0.03 0.23 -0.08 -0.51 0.02 0.00 0.00 175.26 174.95 3g3y s LEU 257 N 0.52 1.45 0.00 2.70 1.43 0.11 -4.78 118.68 120.10 3g3y s LEU 257 Ca 0.05 -0.22 0.11 0.00 -1.03 0.00 0.00 54.13 53.04 3g3y s LEU 257 Cb -0.12 -0.66 0.09 0.00 0.03 0.00 0.00 46.19 45.53 3g3y s LEU 257 CO 0.00 -0.02 0.85 0.18 0.23 0.00 0.00 176.35 177.59