#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxt n ASP 33 N 0.00 2.36 -0.32 1.96 4.64 -1.26 -4.50 116.55 119.42 3gxt n ASP 33 Ca 0.00 -2.32 0.03 0.00 -1.38 0.00 0.00 54.79 51.12 3gxt n ASP 33 Cb 0.00 -0.83 0.07 0.00 -1.04 0.00 0.00 41.12 39.32 3gxt n ASP 33 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3gxt n ASN 34 N 5.83 2.29 0.00 1.67 6.94 -1.26 -4.98 115.26 125.76 3gxt n ASN 34 Ca 0.32 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 3gxt n ASN 34 Cb 0.19 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 3gxt n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxt n GLY 35 N 0.10 2.42 3.78 4.83 0.00 -1.26 -5.01 105.19 110.04 3gxt n GLY 35 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3gxt n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gxt s LEU 36 N 0.00 3.72 -1.29 0.99 1.43 -1.26 -4.57 118.68 117.69 3gxt s LEU 36 Ca 0.00 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3gxt s LEU 36 Cb 0.00 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 3gxt s LEU 36 CO 0.00 0.04 0.71 0.00 0.23 0.00 0.00 176.35 177.32 3gxt n ALA 37 N -0.60 -2.05 0.01 4.21 0.00 -1.26 -4.24 120.51 116.58 3gxt n ALA 37 Ca -0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.14 3gxt n ALA 37 Cb 0.56 -2.12 0.15 0.00 0.00 0.00 0.00 19.45 18.05 3gxt n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxt h ARG 38 N -1.85 0.50 -5.90 0.00 2.47 -1.93 0.21 114.38 107.88 3gxt h ARG 38 Ca -0.61 -0.22 -0.58 0.00 -1.26 0.00 0.00 59.98 57.30 3gxt h ARG 38 Cb 1.36 -0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 29.57 3gxt h ARG 38 CO 0.56 0.78 -0.54 0.95 0.56 0.00 0.00 179.97 182.27 3gxt s THR 39 N -4.34 2.37 0.16 2.04 -4.23 -1.26 -4.16 115.64 106.22 3gxt s THR 39 Ca -0.07 -1.81 -0.31 0.00 -1.18 0.00 0.00 61.69 58.32 3gxt s THR 39 Cb 0.13 -2.95 -0.09 0.00 1.34 0.00 0.00 72.50 70.92 3gxt s THR 39 CO 0.81 -0.05 1.50 -2.16 -0.54 0.00 0.00 174.62 174.17 3gxt s PRO 40 N -3.83 4.25 0.26 3.99 0.04 -1.26 -4.89 135.00 133.56 3gxt s PRO 40 Ca 0.38 2.27 -0.31 0.00 0.04 0.00 0.00 61.00 63.39 3gxt s PRO 40 Cb 0.04 -3.17 -0.13 0.00 0.04 0.00 0.00 34.50 31.27 3gxt s PRO 40 CO 0.21 -0.53 1.38 2.41 0.04 0.00 0.00 177.00 180.52 3gxt n THR 41 N 3.72 1.12 -4.93 1.26 -1.04 -1.26 -4.60 114.28 108.55 3gxt n THR 41 Ca 0.12 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.05 61.56 3gxt n THR 41 Cb 0.40 -1.48 -0.15 0.00 -1.82 0.00 0.00 70.33 67.28 3gxt n THR 41 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3gxt s MET 42 N -0.64 1.78 0.00 -2.82 -1.94 -1.26 -1.20 119.30 113.21 3gxt s MET 42 Ca 0.66 -1.05 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 3gxt s MET 42 Cb -0.64 -1.90 0.00 0.00 2.01 0.00 0.00 34.83 34.30 3gxt s MET 42 CO 0.52 0.50 0.00 0.41 -0.01 0.00 0.00 175.02 176.43 3gxt n GLY 43 N 1.91 -0.54 3.07 -0.03 0.00 -0.78 -1.06 105.19 107.76 3gxt n GLY 43 Ca -0.17 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 3gxt n GLY 43 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3gxt s TRP 44 N -3.23 0.25 -0.14 1.61 -0.00 0.54 -1.64 118.94 116.34 3gxt s TRP 44 Ca 0.00 -0.57 -0.07 0.00 -0.00 0.00 0.00 56.10 55.46 3gxt s TRP 44 Cb 0.00 -0.19 0.06 0.00 -0.00 0.00 0.00 33.47 33.34 3gxt s TRP 44 CO 0.00 -0.31 0.32 -1.17 -0.00 0.00 0.00 176.95 175.79 3gxt s LEU 45 N -2.01 0.09 0.53 5.86 0.20 0.30 0.15 118.68 123.79 3gxt s LEU 45 Ca -0.07 0.70 0.28 0.00 0.69 0.00 0.00 54.13 55.73 3gxt s LEU 45 Cb -0.03 1.00 1.47 0.00 -0.43 0.00 0.00 46.19 48.20 3gxt s LEU 45 CO -0.04 -0.19 2.07 1.12 -0.29 0.00 0.00 176.35 179.02 3gxt h HIS 46 N 7.33 0.00 0.79 5.38 2.07 -1.83 -3.38 115.15 125.51 3gxt h HIS 46 Ca -0.35 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.13 3gxt h HIS 46 Cb 1.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.14 3gxt h HIS 46 CO 0.31 0.11 -0.46 2.35 -3.07 0.00 0.00 177.93 177.17 3gxt h TRP 47 N 0.00 -1.23 -0.66 6.12 2.91 -1.90 0.48 115.95 121.67 3gxt h TRP 47 Ca -0.00 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.97 3gxt h TRP 47 Cb 0.35 0.43 -0.03 0.00 -0.51 0.00 0.00 29.16 29.40 3gxt h TRP 47 CO 0.00 -0.70 0.28 1.49 -1.03 0.00 0.00 178.44 178.48 3gxt h GLU 48 N -1.16 0.96 0.21 2.65 4.22 -1.91 0.83 114.58 120.38 3gxt h GLU 48 Ca -0.11 -0.15 -0.31 0.00 0.08 0.00 0.00 59.36 58.87 3gxt h GLU 48 Cb 0.92 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 30.03 3gxt h GLU 48 CO 0.12 0.77 -1.45 -0.09 -2.18 0.00 0.00 179.01 176.19 3gxt h ARG 49 N 0.95 0.44 -0.01 1.92 9.65 -1.74 -3.40 114.38 122.20 3gxt h ARG 49 Ca 0.23 -0.75 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3gxt h ARG 49 Cb 0.16 0.28 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3gxt h ARG 49 CO -0.02 1.36 -0.68 1.19 2.80 0.00 0.00 179.97 184.62 3gxt n PHE 50 N -3.77 0.00 0.00 2.20 3.72 0.17 -5.03 117.46 114.75 3gxt n PHE 50 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3gxt n PHE 50 Cb 1.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 3gxt n PHE 50 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3gxt n MET 51 N -0.91 0.00 -1.73 -1.08 2.81 0.29 -3.15 117.12 113.35 3gxt n MET 51 Ca 0.05 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.56 3gxt n MET 51 Cb 0.32 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 32.89 3gxt n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gxt s ASN 53 N -1.38 6.23 -0.07 0.00 2.47 -1.19 -4.84 114.94 116.15 3gxt s ASN 53 Ca 0.56 0.58 0.12 0.00 0.42 0.00 0.00 52.86 54.54 3gxt s ASN 53 Cb 0.46 -2.54 0.29 0.00 -1.45 0.00 0.00 41.25 38.01 3gxt s ASN 53 CO -0.28 -1.57 1.22 0.18 -3.72 0.00 0.00 177.10 172.94 3gxt n LEU 54 N 9.21 2.86 -4.38 3.21 4.32 -1.26 -2.19 117.00 128.77 3gxt n LEU 54 Ca 0.15 -2.50 -0.45 0.00 -0.02 0.00 0.00 56.01 53.19 3gxt n LEU 54 Cb 0.49 -0.30 -0.03 0.00 -1.62 0.00 0.00 43.42 41.95 3gxt n LEU 54 CO 0.71 0.66 0.54 -0.62 -1.22 0.00 0.00 177.39 177.46 3gxt s ASP 55 N -1.63 6.46 0.18 -1.43 -1.08 -1.26 -4.83 116.67 113.07 3gxt s ASP 55 Ca 0.25 -1.95 0.25 0.00 -0.52 0.00 0.00 52.55 50.57 3gxt s ASP 55 Cb 0.19 -2.30 0.53 0.00 -1.46 0.00 0.00 42.92 39.88 3gxt s ASP 55 CO 0.08 -0.94 1.52 0.00 0.52 0.00 0.00 175.17 176.35 3gxt h GLN 57 N 0.00 -0.94 0.00 0.00 5.75 -1.98 -3.27 115.11 114.67 3gxt h GLN 57 Ca 0.00 0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.40 3gxt h GLN 57 Cb 0.76 0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.50 3gxt h GLN 57 CO 0.00 -0.61 -2.15 0.39 -2.65 0.00 0.00 178.83 173.81 3gxt n GLU 58 N -5.43 0.67 -3.57 1.69 -0.58 -1.25 -4.54 120.64 107.63 3gxt n GLU 58 Ca -0.13 -0.11 -0.27 0.00 -0.42 0.00 0.00 57.16 56.23 3gxt n GLU 58 Cb 0.39 -1.53 -0.10 0.00 -0.57 0.00 0.00 31.44 29.64 3gxt n GLU 58 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3gxt n GLU 59 N -2.48 1.58 0.02 3.49 -0.58 -1.09 -4.93 120.64 116.65 3gxt n GLU 59 Ca -0.16 -4.13 -0.17 0.00 -0.42 0.00 0.00 57.16 52.28 3gxt n GLU 59 Cb 0.82 -2.02 -0.07 0.00 -0.57 0.00 0.00 31.44 29.61 3gxt n GLU 59 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3gxt h PRO 60 N 4.89 0.66 0.00 3.49 0.13 -1.73 -2.65 132.00 136.77 3gxt h PRO 60 Ca 0.18 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3gxt h PRO 60 Cb 0.77 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3gxt h PRO 60 CO 0.65 1.22 0.00 -0.25 -0.23 0.00 0.00 178.00 179.40 3gxt n ASP 61 N -3.86 0.00 0.00 1.44 8.00 -1.26 -3.11 116.55 117.75 3gxt n ASP 61 Ca -0.08 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3gxt n ASP 61 Cb 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 3gxt n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gxt n SER 62 N -0.84 0.00 -4.78 -2.24 3.41 -1.20 -5.08 113.62 102.89 3gxt n SER 62 Ca 0.08 -1.00 -0.36 0.00 -0.26 0.00 0.00 58.87 57.33 3gxt n SER 62 Cb 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 3gxt n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gxt s ILE 64 N -1.69 3.18 0.23 0.00 -1.09 -0.93 -4.76 121.20 116.14 3gxt s ILE 64 Ca 0.60 -0.12 0.10 0.00 -2.23 0.00 0.00 60.65 59.00 3gxt s ILE 64 Cb -0.22 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 3gxt s ILE 64 CO 0.27 -0.39 -0.18 -0.94 -1.23 0.00 0.00 174.94 172.47 3gxt s SER 65 N 9.86 3.10 0.18 3.58 1.04 -1.26 -4.83 113.70 125.37 3gxt s SER 65 Ca 0.84 -0.99 -0.14 0.00 0.48 0.00 0.00 55.95 56.13 3gxt s SER 65 Cb -0.11 -0.22 0.15 0.00 0.10 0.00 0.00 66.02 65.94 3gxt s SER 65 CO 0.08 -0.04 1.71 1.05 0.98 0.00 0.00 173.24 177.02 3gxt h GLU 66 N 2.58 0.18 -1.14 4.02 4.11 -1.63 -0.86 114.58 121.83 3gxt h GLU 66 Ca -0.40 -0.01 0.33 0.00 0.07 0.00 0.00 59.36 59.35 3gxt h GLU 66 Cb 1.23 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 3gxt h GLU 66 CO 0.59 0.12 0.92 0.87 0.07 0.00 0.00 179.01 181.57 3gxt h LYS 67 N 0.18 0.00 0.09 1.06 1.57 -1.95 0.36 116.57 117.88 3gxt h LYS 67 Ca 0.22 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3gxt h LYS 67 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3gxt h LYS 67 CO -0.31 0.00 -0.05 1.25 -0.57 0.00 0.00 179.45 179.77 3gxt h LEU 68 N 0.00 -0.11 -0.63 2.94 5.85 -1.45 0.28 115.31 122.20 3gxt h LEU 68 Ca 0.54 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.88 3gxt h LEU 68 Cb 2.38 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 43.42 3gxt h LEU 68 CO -0.01 0.18 -0.48 -0.26 -0.34 0.00 0.00 178.44 177.54 3gxt h PHE 69 N -0.41 0.63 -0.82 1.25 0.04 -0.75 0.34 116.94 117.22 3gxt h PHE 69 Ca -0.01 -0.20 0.11 0.00 2.80 0.00 0.00 57.97 60.67 3gxt h PHE 69 Cb 0.34 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 38.28 3gxt h PHE 69 CO 0.02 0.90 0.45 0.52 -0.60 0.00 0.00 178.31 179.60 3gxt h MET 70 N 0.41 0.70 0.07 1.51 2.86 -0.21 0.28 114.93 120.55 3gxt h MET 70 Ca 0.02 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3gxt h MET 70 Cb 0.99 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.50 3gxt h MET 70 CO 0.09 0.46 -0.49 1.49 1.06 0.00 0.00 176.91 179.53 3gxt h GLU 71 N 0.72 0.14 -0.56 1.72 4.81 0.33 -2.08 114.58 119.67 3gxt h GLU 71 Ca 0.42 -0.25 0.11 0.00 -0.13 0.00 0.00 59.36 59.51 3gxt h GLU 71 Cb 0.46 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.85 3gxt h GLU 71 CO -0.29 1.12 0.06 0.52 -0.73 0.00 0.00 179.01 179.70 3gxt h MET 72 N -0.69 0.18 0.38 1.92 2.86 -0.18 -1.48 114.93 117.94 3gxt h MET 72 Ca -0.09 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3gxt h MET 72 Cb 1.33 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 3gxt h MET 72 CO 0.06 0.12 -0.27 0.00 1.06 0.00 0.00 176.91 177.88 3gxt h ALA 73 N 1.47 -1.07 -0.57 6.32 0.00 -0.48 -1.25 119.26 123.69 3gxt h ALA 73 Ca 0.29 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.29 3gxt h ALA 73 Cb 0.43 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 3gxt h ALA 73 CO -0.42 -1.05 0.23 -1.91 0.00 0.00 0.00 179.25 176.10 3gxt n GLU 74 N -3.98 -0.04 0.06 0.00 2.13 -0.78 -1.03 120.64 117.00 3gxt n GLU 74 Ca -0.08 0.80 -0.07 0.00 0.66 0.00 0.00 57.16 58.47 3gxt n GLU 74 Cb 0.26 -1.39 -0.05 0.00 0.27 0.00 0.00 31.44 30.54 3gxt n GLU 74 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3gxt h LEU 75 N 0.00 -0.20 -0.70 4.31 4.07 -0.48 -3.18 115.31 119.12 3gxt h LEU 75 Ca 0.45 -0.18 0.27 0.00 0.08 0.00 0.00 57.88 58.49 3gxt h LEU 75 Cb 1.13 0.05 -0.13 0.00 1.08 0.00 0.00 40.66 42.80 3gxt h LEU 75 CO -0.46 0.33 0.27 0.23 -1.08 0.00 0.00 178.44 177.73 3gxt n MET 76 N -4.92 -0.05 0.33 1.13 2.81 -0.20 0.21 117.12 116.42 3gxt n MET 76 Ca -0.05 1.00 -0.15 0.00 -1.81 0.00 0.00 57.70 56.68 3gxt n MET 76 Cb 0.19 -1.72 -0.08 0.00 -0.71 0.00 0.00 33.22 30.90 3gxt n MET 76 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3gxt h VAL 77 N 0.00 0.23 0.00 2.03 2.07 -1.63 0.22 116.25 119.16 3gxt h VAL 77 Ca 0.55 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.71 3gxt h VAL 77 Cb 1.38 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3gxt h VAL 77 CO -0.58 0.03 -0.31 0.77 0.02 0.00 0.00 177.57 177.50 3gxt h SER 78 N -1.08 0.00 -0.28 0.57 4.64 0.24 -3.16 113.55 114.48 3gxt h SER 78 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3gxt h SER 78 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3gxt h SER 78 CO 0.14 0.31 0.00 -0.62 -0.87 0.00 0.00 176.83 175.79 3gxt n GLU 79 N -3.29 2.30 -0.75 4.77 -0.58 -0.44 -4.94 120.64 117.71 3gxt n GLU 79 Ca 0.01 -1.95 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 3gxt n GLU 79 Cb 0.57 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 3gxt n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gxt n GLY 80 N 1.40 0.61 0.23 0.62 0.00 -1.19 -4.95 105.19 101.91 3gxt n GLY 80 Ca 0.18 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.09 3gxt n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3gxt h TRP 81 N 0.00 0.13 0.44 1.61 4.06 -0.84 -0.81 115.95 120.54 3gxt h TRP 81 Ca 0.00 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 3gxt h TRP 81 Cb 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 3gxt h TRP 81 CO 0.00 0.27 -0.21 -0.22 -3.56 0.00 0.00 178.44 174.72 3gxt h LYS 82 N 0.12 -0.57 -0.92 0.49 3.64 -1.42 -1.49 116.57 116.42 3gxt h LYS 82 Ca 0.02 0.04 0.27 0.00 -1.27 0.00 0.00 60.65 59.71 3gxt h LYS 82 Cb 0.34 0.13 -0.16 0.00 -0.41 0.00 0.00 32.23 32.13 3gxt h LYS 82 CO 0.02 -0.38 0.24 -0.44 -2.27 0.00 0.00 179.45 176.62 3gxt h ASP 83 N -1.12 -0.04 -0.87 4.20 3.45 -1.85 1.73 116.42 121.92 3gxt h ASP 83 Ca -0.06 0.22 0.15 0.00 0.43 0.00 0.00 57.03 57.77 3gxt h ASP 83 Cb 0.46 0.31 -0.07 0.00 -0.56 0.00 0.00 39.33 39.46 3gxt h ASP 83 CO 0.10 -0.23 0.57 0.00 -1.57 0.00 0.00 179.24 178.11 3gxt h ALA 84 N 1.85 1.90 0.00 3.45 0.00 -1.10 -3.46 119.26 121.90 3gxt h ALA 84 Ca 0.61 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3gxt h ALA 84 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gxt h ALA 84 CO -0.72 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 178.80 3gxt n GLY 85 N -1.45 1.94 3.70 0.00 0.00 0.59 -5.00 105.19 104.96 3gxt n GLY 85 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3gxt n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gxt s TYR 86 N -2.00 3.43 0.00 1.61 2.02 -0.59 -4.49 117.35 117.34 3gxt s TYR 86 Ca 0.00 0.68 0.00 0.00 -0.37 0.00 0.00 57.07 57.38 3gxt s TYR 86 Cb 0.00 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.07 3gxt s TYR 86 CO 0.00 0.09 0.00 -1.91 -1.57 0.00 0.00 175.55 172.16 3gxt n GLU 87 N 4.07 3.79 -3.60 -0.62 4.07 -0.22 -4.04 120.64 124.09 3gxt n GLU 87 Ca -0.09 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.61 3gxt n GLU 87 Cb 0.51 -0.60 -0.09 0.00 -0.06 0.00 0.00 31.44 31.20 3gxt n GLU 87 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3gxt s TYR 88 N -0.61 3.43 -0.46 4.31 2.02 -0.93 -0.44 117.35 124.68 3gxt s TYR 88 Ca 0.00 -1.87 -0.29 0.00 -0.37 0.00 0.00 57.07 54.55 3gxt s TYR 88 Cb 0.00 -3.33 0.02 0.00 -0.40 0.00 0.00 41.96 38.25 3gxt s TYR 88 CO 0.00 -0.96 1.29 -1.17 -1.57 0.00 0.00 175.55 173.14 3gxt s LEU 89 N 1.35 3.59 -0.26 -1.29 2.96 0.51 -0.34 118.68 125.20 3gxt s LEU 89 Ca 0.05 0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 54.55 3gxt s LEU 89 Cb -0.25 -3.51 0.02 0.00 0.50 0.00 0.00 46.19 42.95 3gxt s LEU 89 CO -0.01 -1.38 -0.03 0.00 -1.32 0.00 0.00 176.35 173.62 3gxt s ILE 91 N 1.37 2.60 0.00 0.00 1.01 0.21 -2.98 121.20 123.41 3gxt s ILE 91 Ca 0.01 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3gxt s ILE 91 Cb -0.17 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.94 3gxt s ILE 91 CO -0.03 0.12 0.00 -0.67 0.00 0.00 0.00 174.94 174.36 3gxt n ASP 92 N 0.50 1.41 -4.48 3.58 -0.08 -1.26 -3.66 116.55 112.57 3gxt n ASP 92 Ca 0.01 -0.33 -0.35 0.00 -1.51 0.00 0.00 54.79 52.61 3gxt n ASP 92 Cb 0.42 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.96 3gxt n ASP 92 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3gxt n ASP 93 N -0.53 -1.13 -1.10 1.67 -0.08 -1.26 -4.13 116.55 109.98 3gxt n ASP 93 Ca 0.00 0.55 -0.02 0.00 -1.51 0.00 0.00 54.79 53.80 3gxt n ASP 93 Cb 0.00 -1.24 0.01 0.00 2.34 0.00 0.00 41.12 42.23 3gxt n ASP 93 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gxt n TRP 95 N -1.94 0.00 -1.72 0.00 4.27 -1.26 -4.89 117.44 111.89 3gxt n TRP 95 Ca -0.02 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.28 3gxt n TRP 95 Cb 0.51 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.51 3gxt n TRP 95 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 3gxt s MET 96 N -1.01 3.02 0.24 -2.67 -1.94 -1.26 -2.00 119.30 113.68 3gxt s MET 96 Ca 0.01 0.76 -0.21 0.00 -1.71 0.00 0.00 55.69 54.54 3gxt s MET 96 Cb 0.02 -2.01 -0.09 0.00 2.01 0.00 0.00 34.83 34.76 3gxt s MET 96 CO 0.09 -0.99 0.77 0.00 -0.01 0.00 0.00 175.02 174.87 3gxt s ALA 97 N -3.16 3.38 0.00 3.03 0.00 -0.25 -4.01 121.76 120.75 3gxt s ALA 97 Ca 0.57 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3gxt s ALA 97 Cb -0.13 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3gxt s ALA 97 CO 0.54 0.30 0.00 -2.30 0.00 0.00 0.00 175.76 174.30 3gxt n PRO 98 N 0.71 0.00 -2.10 0.00 -0.02 -1.26 -4.65 135.00 127.67 3gxt n PRO 98 Ca -0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.44 3gxt n PRO 98 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.98 3gxt n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gxt n GLN 99 N -3.37 0.09 -3.29 -0.52 0.00 -1.26 -4.48 117.38 104.54 3gxt n GLN 99 Ca 0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 57.00 56.27 3gxt n GLN 99 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 30.24 30.62 3gxt n GLN 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3gxt s ARG 100 N -2.15 3.61 1.48 2.61 0.52 -1.26 -4.38 118.95 119.37 3gxt s ARG 100 Ca 0.05 -0.01 -0.24 0.00 -0.52 0.00 0.00 55.73 55.00 3gxt s ARG 100 Cb 0.00 -2.63 0.38 0.00 0.52 0.00 0.00 34.95 33.23 3gxt s ARG 100 CO 0.04 0.18 0.88 -0.40 0.02 0.00 0.00 175.30 176.01 3gxt n ASP 101 N -1.12 -4.14 -3.40 0.23 5.68 -0.06 -4.82 116.55 108.93 3gxt n ASP 101 Ca -0.02 -0.86 -0.35 0.00 -0.50 0.00 0.00 54.79 53.07 3gxt n ASP 101 Cb 0.54 -1.01 -0.01 0.00 -1.14 0.00 0.00 41.12 39.49 3gxt n ASP 101 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3gxt n SER 102 N -5.79 5.84 0.00 -1.12 3.41 -1.26 -3.39 113.62 111.32 3gxt n SER 102 Ca 0.13 -3.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.11 3gxt n SER 102 Cb 0.60 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3gxt n SER 102 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3gxt n GLU 103 N 0.11 0.00 -0.44 4.33 4.07 -1.26 -5.03 120.64 122.42 3gxt n GLU 103 Ca 0.37 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.47 3gxt n GLU 103 Cb 0.33 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.71 3gxt n GLU 103 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3gxt n GLY 104 N 3.35 0.76 3.86 8.31 0.00 -1.22 -5.14 105.19 115.12 3gxt n GLY 104 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3gxt n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxt s ARG 105 N 0.00 3.69 0.23 1.61 0.52 -1.25 -4.78 118.95 118.97 3gxt s ARG 105 Ca 0.00 0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 55.05 3gxt s ARG 105 Cb 0.00 -3.21 -0.15 0.00 0.52 0.00 0.00 34.95 32.11 3gxt s ARG 105 CO 0.00 0.73 1.11 1.28 0.02 0.00 0.00 175.30 178.44 3gxt n LEU 106 N 1.93 1.79 -4.52 2.53 4.77 -1.26 -0.88 117.00 121.36 3gxt n LEU 106 Ca -0.17 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 56.73 3gxt n LEU 106 Cb 0.54 -1.27 -0.09 0.00 -2.33 0.00 0.00 43.42 40.26 3gxt n LEU 106 CO 0.34 -1.27 -0.44 -1.10 -1.33 0.00 0.00 177.39 173.59 3gxt s GLN 107 N -0.91 1.83 1.04 3.23 -0.21 -1.26 -4.83 119.66 118.55 3gxt s GLN 107 Ca 0.66 -1.70 -0.15 0.00 0.02 0.00 0.00 55.36 54.19 3gxt s GLN 107 Cb -0.76 -1.86 0.21 0.00 1.00 0.00 0.00 33.01 31.60 3gxt s GLN 107 CO 0.55 0.32 1.14 0.00 -2.12 0.00 0.00 175.29 175.18 3gxt s ALA 108 N -2.48 1.19 0.13 6.09 0.00 -1.26 -1.09 121.76 124.35 3gxt s ALA 108 Ca 0.31 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 51.26 3gxt s ALA 108 Cb -0.05 -2.98 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 3gxt s ALA 108 CO 0.16 -2.90 1.24 0.34 0.00 0.00 0.00 175.76 174.61 3gxt s ASP 109 N -3.92 7.02 0.36 0.00 2.15 -0.85 -3.23 116.67 118.20 3gxt s ASP 109 Ca 0.68 2.19 0.11 0.00 0.43 0.00 0.00 52.55 55.96 3gxt s ASP 109 Cb -0.13 -2.59 0.70 0.00 -0.30 0.00 0.00 42.92 40.59 3gxt s ASP 109 CO 0.55 -0.47 1.83 -0.65 -0.17 0.00 0.00 175.17 176.26 3gxt h PRO 110 N 6.06 0.08 0.00 4.34 0.11 -1.92 -1.29 132.00 139.38 3gxt h PRO 110 Ca -0.43 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3gxt h PRO 110 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3gxt h PRO 110 CO 0.79 0.41 -0.36 1.96 -0.21 0.00 0.00 178.00 180.59 3gxt h GLN 111 N 0.07 0.00 0.00 1.05 7.50 -1.95 -3.20 115.11 118.58 3gxt h GLN 111 Ca 0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3gxt h GLN 111 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.15 3gxt h GLN 111 CO 0.05 0.65 -0.00 0.00 -1.50 0.00 0.00 178.83 178.02 3gxt h ARG 112 N -1.00 0.00 -1.60 1.46 3.08 -1.89 -3.34 114.38 111.09 3gxt h ARG 112 Ca -0.08 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.50 3gxt h ARG 112 Cb 0.78 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.43 3gxt h ARG 112 CO -0.05 0.00 -1.04 1.19 -1.07 0.00 0.00 179.97 179.00 3gxt n PHE 113 N -2.74 1.64 -0.36 3.04 3.72 -0.49 -1.54 117.46 120.72 3gxt n PHE 113 Ca 0.05 -3.36 0.05 0.00 -0.05 0.00 0.00 57.45 54.14 3gxt n PHE 113 Cb 0.49 -0.36 0.21 0.00 -0.94 0.00 0.00 39.48 38.88 3gxt n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gxt h PRO 114 N 2.93 1.03 0.00 -1.08 0.13 -1.65 0.17 132.00 133.53 3gxt h PRO 114 Ca 0.06 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3gxt h PRO 114 Cb 0.97 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3gxt h PRO 114 CO 0.61 0.68 0.00 0.72 -0.23 0.00 0.00 178.00 179.78 3gxt n HIS 115 N -4.58 0.21 -0.11 1.56 8.25 -1.26 -4.98 115.22 114.31 3gxt n HIS 115 Ca 0.18 0.07 0.01 0.00 -0.26 0.00 0.00 57.72 57.72 3gxt n HIS 115 Cb 0.29 -0.62 -0.00 0.00 1.12 0.00 0.00 29.99 30.77 3gxt n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gxt n GLY 116 N 0.55 -1.63 0.11 -1.41 0.00 0.05 -4.12 105.19 98.75 3gxt n GLY 116 Ca 0.04 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 3gxt n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gxt h ILE 117 N -0.10 1.41 -0.93 -0.61 1.08 -1.96 -3.14 117.51 113.26 3gxt h ILE 117 Ca -0.00 -2.97 0.16 0.00 -0.39 0.00 0.00 64.86 61.66 3gxt h ILE 117 Cb 0.10 2.93 -0.16 0.00 -3.07 0.00 0.00 36.82 36.62 3gxt h ILE 117 CO 0.00 0.87 -0.34 -0.09 -0.69 0.00 0.00 178.15 177.90 3gxt h ARG 118 N 0.08 -0.02 0.05 2.37 1.12 -1.82 0.32 114.38 116.48 3gxt h ARG 118 Ca -0.17 0.00 -0.23 0.00 -1.11 0.00 0.00 59.98 58.47 3gxt h ARG 118 Cb 2.01 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.97 3gxt h ARG 118 CO 0.21 -0.01 -1.03 1.96 -3.11 0.00 0.00 179.97 177.98 3gxt h GLN 119 N -0.02 0.27 -0.57 0.20 7.50 -1.71 -2.80 115.11 117.98 3gxt h GLN 119 Ca 0.36 -0.36 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 3gxt h GLN 119 Cb 0.62 0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.24 3gxt h GLN 119 CO -0.95 1.10 0.23 1.25 -1.50 0.00 0.00 178.83 178.96 3gxt h LEU 120 N 0.12 0.78 -0.05 1.46 5.85 -1.08 -0.20 115.31 122.19 3gxt h LEU 120 Ca -0.08 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.51 3gxt h LEU 120 Cb 1.71 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.49 3gxt h LEU 120 CO 0.17 0.73 -0.22 0.00 -0.34 0.00 0.00 178.44 178.77 3gxt h ALA 121 N 1.08 -0.25 -0.46 1.25 0.00 -0.42 0.91 119.26 121.37 3gxt h ALA 121 Ca 0.19 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.19 3gxt h ALA 121 Cb 0.19 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3gxt h ALA 121 CO -0.02 -0.71 0.09 -0.91 0.00 0.00 0.00 179.25 177.71 3gxt h ASN 122 N -0.33 -0.00 0.84 0.00 -0.26 -1.10 0.23 115.58 114.96 3gxt h ASN 122 Ca 0.08 0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 3gxt h ASN 122 Cb 0.43 0.11 0.01 0.00 -1.06 0.00 0.00 38.32 37.81 3gxt h ASN 122 CO -0.24 0.03 -0.40 0.22 -1.06 0.00 0.00 177.43 175.98 3gxt h TYR 123 N 0.22 -1.05 -0.85 1.19 3.20 -0.70 -1.57 116.97 117.42 3gxt h TYR 123 Ca 0.23 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.23 3gxt h TYR 123 Cb 0.29 0.35 -0.16 0.00 1.54 0.00 0.00 36.73 38.75 3gxt h TYR 123 CO -0.22 -0.64 -0.26 0.28 -1.64 0.00 0.00 178.16 175.68 3gxt h VAL 124 N -1.19 0.12 -0.24 1.81 2.07 -0.35 -0.40 116.25 118.07 3gxt h VAL 124 Ca -0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3gxt h VAL 124 Cb 0.87 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3gxt h VAL 124 CO 0.19 0.00 0.14 0.45 0.02 0.00 0.00 177.57 178.37 3gxt h HIS 125 N -0.02 0.32 -0.84 1.57 3.86 -0.76 -1.51 115.15 117.76 3gxt h HIS 125 Ca 0.38 -0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.76 3gxt h HIS 125 Cb 0.61 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.92 3gxt h HIS 125 CO -0.70 0.26 0.56 0.66 0.86 0.00 0.00 177.93 179.56 3gxt h SER 126 N 0.29 0.43 0.36 2.45 4.64 -0.05 2.12 113.55 123.79 3gxt h SER 126 Ca 0.09 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3gxt h SER 126 Cb 0.04 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3gxt h SER 126 CO -0.02 0.20 0.00 0.29 -0.87 0.00 0.00 176.83 176.44 3gxt n LYS 127 N -4.50 0.07 -1.27 4.77 4.76 -0.58 -4.84 118.16 116.56 3gxt n LYS 127 Ca 0.17 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 3gxt n LYS 127 Cb 0.60 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3gxt n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gxt n GLY 128 N -0.56 0.94 3.62 0.72 0.00 0.72 -4.99 105.19 105.63 3gxt n GLY 128 Ca 0.02 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 3gxt n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gxt s LEU 129 N 0.00 2.89 -0.03 0.99 1.43 -1.14 -5.04 118.68 117.78 3gxt s LEU 129 Ca 0.00 -1.35 0.04 0.00 -1.03 0.00 0.00 54.13 51.79 3gxt s LEU 129 Cb 0.00 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 3gxt s LEU 129 CO 0.00 -0.44 -0.13 -0.54 0.23 0.00 0.00 176.35 175.47 3gxt s LYS 130 N -3.71 2.48 -0.16 1.70 1.02 0.42 -3.87 119.74 117.61 3gxt s LYS 130 Ca 0.35 -0.72 -0.13 0.00 0.02 0.00 0.00 55.97 55.49 3gxt s LYS 130 Cb 0.09 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 3gxt s LYS 130 CO 0.18 0.61 0.25 -1.17 -0.92 0.00 0.00 175.35 174.31 3gxt s LEU 131 N -0.92 4.26 0.04 3.17 2.96 -1.26 -0.36 118.68 126.56 3gxt s LEU 131 Ca 0.13 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 3gxt s LEU 131 Cb -0.11 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 3gxt s LEU 131 CO 0.02 0.15 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.35 3gxt s GLY 132 N 0.27 1.86 0.41 7.98 0.00 0.22 -0.53 107.32 117.53 3gxt s GLY 132 Ca 0.15 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.87 3gxt s GLY 132 CO 0.03 -0.94 0.08 -1.50 0.00 0.00 0.00 173.10 170.77 3gxt s ILE 133 N -1.15 0.93 0.09 0.90 2.07 -0.52 0.68 121.20 124.20 3gxt s ILE 133 Ca 0.21 -2.00 0.07 0.00 -1.41 0.00 0.00 60.65 57.53 3gxt s ILE 133 Cb -0.11 -2.45 -0.03 0.00 0.13 0.00 0.00 42.46 40.00 3gxt s ILE 133 CO 0.13 0.00 -0.20 -0.47 -1.91 0.00 0.00 174.94 172.49 3gxt s TYR 134 N -3.13 1.69 0.28 3.50 5.04 -1.24 -0.33 117.35 123.16 3gxt s TYR 134 Ca 0.23 -0.41 -0.20 0.00 -2.44 0.00 0.00 57.07 54.25 3gxt s TYR 134 Cb 0.04 -0.95 0.05 0.00 0.35 0.00 0.00 41.96 41.46 3gxt s TYR 134 CO 0.12 0.16 0.86 0.00 -1.34 0.00 0.00 175.55 175.35 3gxt s ALA 135 N -1.10 -1.20 0.03 3.97 0.00 -0.48 -4.91 121.76 118.07 3gxt s ALA 135 Ca 0.05 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 51.68 3gxt s ALA 135 Cb -0.10 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 3gxt s ALA 135 CO 0.03 -1.03 -0.20 0.34 0.00 0.00 0.00 175.76 174.90 3gxt s ASP 136 N -3.08 2.44 0.56 0.00 -1.08 -1.26 0.51 116.67 114.74 3gxt s ASP 136 Ca 0.15 -0.49 0.36 0.00 -0.52 0.00 0.00 52.55 52.06 3gxt s ASP 136 Cb -0.04 -0.22 1.74 0.00 -1.46 0.00 0.00 42.92 42.94 3gxt s ASP 136 CO 0.07 0.18 2.09 1.62 0.52 0.00 0.00 175.17 179.66 3gxt h VAL 137 N 4.42 0.00 0.00 1.11 3.04 0.32 0.20 116.25 125.34 3gxt h VAL 137 Ca -0.42 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 3gxt h VAL 137 Cb 1.16 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 3gxt h VAL 137 CO 0.45 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.62 3gxt n GLY 138 N -0.47 1.00 0.00 3.17 0.00 -1.22 -3.88 105.19 103.79 3gxt n GLY 138 Ca -0.01 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.34 3gxt n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gxt n ASN 139 N 0.00 1.96 -3.95 1.61 3.02 -1.11 -2.56 115.26 114.23 3gxt n ASN 139 Ca 0.00 -0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.31 3gxt n ASN 139 Cb 0.00 1.44 -0.10 0.00 -0.61 0.00 0.00 39.78 40.51 3gxt n ASN 139 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3gxt s LYS 140 N -2.69 0.50 1.06 3.52 1.02 -1.26 0.28 119.74 122.18 3gxt s LYS 140 Ca -0.03 -0.72 -0.14 0.00 0.02 0.00 0.00 55.97 55.11 3gxt s LYS 140 Cb 0.08 0.19 0.22 0.00 -0.52 0.00 0.00 37.83 37.80 3gxt s LYS 140 CO 0.49 -0.11 1.09 0.95 -0.92 0.00 0.00 175.35 176.85 3gxt s THR 141 N -2.27 1.92 0.65 2.17 -4.23 0.35 -4.54 115.64 109.70 3gxt s THR 141 Ca -0.08 0.00 0.39 0.00 -1.18 0.00 0.00 61.69 60.82 3gxt s THR 141 Cb -0.03 -2.46 0.40 0.00 1.34 0.00 0.00 72.50 71.75 3gxt s THR 141 CO -0.03 0.00 2.24 0.00 -0.54 0.00 0.00 174.62 176.29 3gxt h ALA 143 N 1.83 0.19 0.00 0.00 0.00 -2.00 -3.49 119.26 115.80 3gxt h ALA 143 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3gxt h ALA 143 Cb 0.19 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3gxt h ALA 143 CO -0.00 1.06 0.00 0.41 0.00 0.00 0.00 179.25 180.72 3gxt n GLY 144 N 1.63 0.71 3.81 0.00 0.00 0.14 -5.14 105.19 106.35 3gxt n GLY 144 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3gxt n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxt s PHE 145 N -1.57 3.44 0.04 1.61 0.08 -1.26 -4.59 117.98 115.72 3gxt s PHE 145 Ca 0.00 1.59 -0.30 0.00 0.12 0.00 0.00 56.93 58.34 3gxt s PHE 145 Cb 0.00 -2.81 -0.15 0.00 -0.57 0.00 0.00 43.02 39.48 3gxt s PHE 145 CO 0.00 0.03 0.75 -2.30 -0.10 0.00 0.00 175.22 173.60 3gxt n PRO 146 N -0.21 0.00 -1.07 0.24 -0.01 -1.26 0.13 135.00 132.82 3gxt n PRO 146 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 63.50 63.36 3gxt n PRO 146 Cb 0.53 -1.11 0.13 0.00 -0.01 0.00 0.00 33.50 33.04 3gxt n PRO 146 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3gxt n GLY 147 N 1.30 -1.57 0.00 -1.23 0.00 0.14 -4.30 105.19 99.53 3gxt n GLY 147 Ca 0.16 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.60 3gxt n GLY 147 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxt n SER 148 N -3.62 0.80 -4.68 1.61 7.64 0.70 -4.85 113.62 111.22 3gxt n SER 148 Ca 0.10 -0.87 -0.44 0.00 1.01 0.00 0.00 58.87 58.67 3gxt n SER 148 Cb 0.35 1.02 -0.02 0.00 -1.01 0.00 0.00 64.21 64.55 3gxt n SER 148 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3gxt n PHE 149 N -1.42 2.26 0.00 1.43 7.35 -1.06 -0.03 117.46 126.00 3gxt n PHE 149 Ca 0.03 0.42 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 3gxt n PHE 149 Cb 0.27 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 37.62 3gxt n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gxt n GLY 150 N 2.07 2.42 1.23 7.13 0.00 -1.26 -4.74 105.19 112.04 3gxt n GLY 150 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3gxt n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxt n TYR 151 N -0.23 1.18 -0.03 1.61 4.01 0.96 -4.71 117.16 119.94 3gxt n TYR 151 Ca 0.00 -0.67 -0.09 0.00 -0.16 0.00 0.00 57.90 56.98 3gxt n TYR 151 Cb 0.00 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 38.76 3gxt n TYR 151 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3gxt h TYR 152 N 3.04 -0.77 -0.90 -0.72 0.05 -1.61 0.37 116.97 116.43 3gxt h TYR 152 Ca 0.00 0.04 0.07 0.00 0.05 0.00 0.00 58.73 58.89 3gxt h TYR 152 Cb 1.35 0.37 -0.06 0.00 1.01 0.00 0.00 36.73 39.39 3gxt h TYR 152 CO 0.61 -0.36 0.56 -0.44 -1.05 0.00 0.00 178.16 177.49 3gxt h ASP 153 N -0.31 0.88 0.34 3.88 3.32 -1.90 -2.24 116.42 120.40 3gxt h ASP 153 Ca 0.12 0.02 -0.33 0.00 0.02 0.00 0.00 57.03 56.87 3gxt h ASP 153 Cb 0.50 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.89 3gxt h ASP 153 CO -0.39 0.56 -1.59 0.40 -1.72 0.00 0.00 179.24 176.50 3gxt h ILE 154 N 1.01 1.11 0.58 0.35 5.03 -1.75 -3.02 117.51 120.82 3gxt h ILE 154 Ca 0.40 -2.70 -0.03 0.00 -0.12 0.00 0.00 64.86 62.41 3gxt h ILE 154 Cb 0.20 2.81 0.01 0.00 -3.03 0.00 0.00 36.82 36.80 3gxt h ILE 154 CO -0.18 0.83 -0.28 0.44 -0.68 0.00 0.00 178.15 178.28 3gxt h ASP 155 N 0.09 -0.66 -0.98 1.72 3.45 -0.19 -0.16 116.42 119.69 3gxt h ASP 155 Ca -0.28 -0.01 0.15 0.00 0.43 0.00 0.00 57.03 57.32 3gxt h ASP 155 Cb 2.07 0.17 -0.16 0.00 -0.56 0.00 0.00 39.33 40.85 3gxt h ASP 155 CO 0.19 -0.40 -0.38 0.00 -1.57 0.00 0.00 179.24 177.07 3gxt h ALA 156 N -0.52 0.17 -0.29 3.45 0.00 -1.51 0.25 119.26 120.80 3gxt h ALA 156 Ca -0.08 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3gxt h ALA 156 Cb 0.64 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3gxt h ALA 156 CO 0.13 -0.62 0.06 0.37 0.00 0.00 0.00 179.25 179.19 3gxt h GLN 157 N -0.01 0.48 -0.49 0.00 5.75 -1.45 -0.67 115.11 118.72 3gxt h GLN 157 Ca 0.35 -0.12 0.10 0.00 -0.15 0.00 0.00 58.65 58.83 3gxt h GLN 157 Cb 0.60 -0.06 -0.10 0.00 1.07 0.00 0.00 27.48 28.99 3gxt h GLN 157 CO -0.98 0.57 -0.18 1.15 -2.65 0.00 0.00 178.83 176.74 3gxt h THR 158 N 0.30 0.41 -0.30 2.39 2.02 0.93 0.24 112.91 118.90 3gxt h THR 158 Ca 0.09 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.29 3gxt h THR 158 Cb 0.31 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3gxt h THR 158 CO 0.00 0.00 0.16 -0.26 0.37 0.00 0.00 175.52 175.79 3gxt h PHE 159 N -0.06 0.30 -0.07 3.16 0.04 -0.45 -2.84 116.94 117.02 3gxt h PHE 159 Ca 0.23 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 3gxt h PHE 159 Cb 0.42 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 3gxt h PHE 159 CO -0.46 0.17 -0.10 0.00 -0.60 0.00 0.00 178.31 177.32 3gxt h ALA 160 N 1.15 1.71 -0.11 2.45 0.00 0.32 -0.77 119.26 124.01 3gxt h ALA 160 Ca 0.12 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3gxt h ALA 160 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gxt h ALA 160 CO -0.07 0.22 -0.35 -0.44 0.00 0.00 0.00 179.25 178.60 3gxt h ASP 161 N 0.10 0.23 0.29 0.00 5.19 -0.40 -3.19 116.42 118.64 3gxt h ASP 161 Ca 0.02 -0.08 -0.19 0.00 -0.62 0.00 0.00 57.03 56.16 3gxt h ASP 161 Cb 0.24 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 3gxt h ASP 161 CO 0.01 0.57 -0.77 -0.50 -3.12 0.00 0.00 179.24 175.44 3gxt h TRP 162 N 0.19 0.54 0.00 4.55 6.55 -0.92 -3.48 115.95 123.39 3gxt h TRP 162 Ca 0.02 -0.25 0.00 0.00 0.95 0.00 0.00 58.89 59.61 3gxt h TRP 162 Cb 0.72 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.94 3gxt h TRP 162 CO 0.01 1.02 0.00 0.41 -1.05 0.00 0.00 178.44 178.83 3gxt n GLY 163 N 0.63 1.72 3.77 1.49 0.00 -0.95 -4.64 105.19 107.22 3gxt n GLY 163 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3gxt n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gxt s VAL 164 N -2.00 2.40 -0.49 1.61 1.01 -1.11 -4.75 120.40 117.07 3gxt s VAL 164 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.43 3gxt s VAL 164 Cb 0.00 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 3gxt s VAL 164 CO 0.00 0.09 0.47 0.47 0.00 0.00 0.00 175.10 176.13 3gxt n ASP 165 N 0.82 0.91 -3.88 3.32 8.00 0.31 -4.78 116.55 121.24 3gxt n ASP 165 Ca 0.01 -0.95 -0.10 0.00 0.71 0.00 0.00 54.79 54.46 3gxt n ASP 165 Cb 0.40 0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 41.87 3gxt n ASP 165 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gxt s LEU 166 N -1.27 1.59 -0.09 0.64 0.20 -0.93 -1.52 118.68 117.30 3gxt s LEU 166 Ca 0.04 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.51 3gxt s LEU 166 Cb 0.04 0.74 0.01 0.00 -0.43 0.00 0.00 46.19 46.55 3gxt s LEU 166 CO 0.13 -0.48 -0.17 -0.22 -0.29 0.00 0.00 176.35 175.32 3gxt s LEU 167 N -1.88 1.82 -0.29 -0.68 2.96 0.46 -1.43 118.68 119.64 3gxt s LEU 167 Ca -0.08 -0.43 -0.17 0.00 -0.22 0.00 0.00 54.13 53.23 3gxt s LEU 167 Cb -0.03 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 3gxt s LEU 167 CO -0.02 0.06 0.47 -0.75 -1.32 0.00 0.00 176.35 174.79 3gxt s LYS 168 N 0.70 3.92 -0.41 1.98 2.20 0.55 -0.53 119.74 128.15 3gxt s LYS 168 Ca -0.13 0.08 -0.10 0.00 -0.36 0.00 0.00 55.97 55.47 3gxt s LYS 168 Cb -0.16 -3.70 0.06 0.00 -1.51 0.00 0.00 37.83 32.52 3gxt s LYS 168 CO 0.03 -0.41 0.25 0.12 -0.36 0.00 0.00 175.35 174.97 3gxt s PHE 169 N 2.25 3.30 0.64 4.03 5.36 0.45 -1.39 117.98 132.61 3gxt s PHE 169 Ca 0.18 -1.31 -0.08 0.00 -0.96 0.00 0.00 56.93 54.77 3gxt s PHE 169 Cb -0.16 -2.78 0.01 0.00 -0.34 0.00 0.00 43.02 39.75 3gxt s PHE 169 CO 0.11 -0.78 0.98 0.34 -1.46 0.00 0.00 175.22 174.40 3gxt s ASP 170 N 1.95 5.54 -0.27 6.13 -1.08 0.18 -2.93 116.67 126.20 3gxt s ASP 170 Ca 0.02 0.88 0.16 0.00 -0.52 0.00 0.00 52.55 53.09 3gxt s ASP 170 Cb -0.22 -1.80 0.49 0.00 -1.46 0.00 0.00 42.92 39.93 3gxt s ASP 170 CO 0.04 -1.17 1.15 0.61 0.52 0.00 0.00 175.17 176.32 3gxt n GLY 171 N -2.75 3.95 3.78 2.66 0.00 -1.26 0.95 105.19 112.51 3gxt n GLY 171 Ca 0.05 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 3gxt n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxt n TYR 173 N -3.55 -2.39 -4.36 0.00 4.01 -1.26 -3.45 117.16 106.17 3gxt n TYR 173 Ca 0.07 0.86 -0.25 0.00 -0.16 0.00 0.00 57.90 58.43 3gxt n TYR 173 Cb 0.55 -4.31 -0.17 0.00 -0.31 0.00 0.00 39.34 35.10 3gxt n TYR 173 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gxt h ASP 175 N 7.33 -0.07 -2.96 0.00 3.45 -1.98 -3.48 116.42 118.70 3gxt h ASP 175 Ca -0.31 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.66 3gxt h ASP 175 Cb 1.17 0.02 -0.14 0.00 -0.56 0.00 0.00 39.33 39.82 3gxt h ASP 175 CO 0.46 -0.04 -0.70 -0.94 -1.57 0.00 0.00 179.24 176.45 3gxt s SER 176 N -2.52 2.77 0.50 6.45 1.04 -1.26 -5.03 113.70 115.65 3gxt s SER 176 Ca -0.01 -1.12 0.24 0.00 0.48 0.00 0.00 55.95 55.54 3gxt s SER 176 Cb 0.00 -0.17 1.32 0.00 0.10 0.00 0.00 66.02 67.27 3gxt s SER 176 CO 0.04 -0.25 1.94 -0.07 0.98 0.00 0.00 173.24 175.88 3gxt h LEU 177 N 2.38 0.12 -0.66 2.42 3.38 -1.99 -1.68 115.31 119.27 3gxt h LEU 177 Ca -0.39 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 3gxt h LEU 177 Cb 1.23 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3gxt h LEU 177 CO 0.65 0.06 -0.03 -0.33 0.09 0.00 0.00 178.44 178.88 3gxt h GLU 178 N 0.12 1.01 -0.21 1.13 5.08 -1.99 -0.94 114.58 118.79 3gxt h GLU 178 Ca 0.35 -0.33 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 3gxt h GLU 178 Cb 1.20 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3gxt h GLU 178 CO -0.05 1.01 -0.62 -0.91 -1.00 0.00 0.00 179.01 177.44 3gxt h ASN 179 N 0.92 0.84 0.01 1.42 4.21 -1.73 -1.29 115.58 119.97 3gxt h ASN 179 Ca 0.16 -0.48 0.02 0.00 1.21 0.00 0.00 56.30 57.20 3gxt h ASN 179 Cb 0.57 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.50 3gxt h ASN 179 CO 0.03 1.26 -0.12 0.25 -1.29 0.00 0.00 177.43 177.57 3gxt h LEU 180 N 0.55 -0.34 0.16 1.61 5.85 -1.30 0.36 115.31 122.20 3gxt h LEU 180 Ca -0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3gxt h LEU 180 Cb 1.22 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3gxt h LEU 180 CO 0.13 -0.17 -0.08 0.00 -0.34 0.00 0.00 178.44 177.98 3gxt h ALA 181 N 0.75 -0.21 -0.55 1.25 0.00 -1.12 0.62 119.26 120.01 3gxt h ALA 181 Ca 0.04 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3gxt h ALA 181 Cb 0.25 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3gxt h ALA 181 CO -0.11 -0.54 -0.07 -0.44 0.00 0.00 0.00 179.25 178.09 3gxt h ASP 182 N -0.37 0.99 0.29 0.00 5.19 -1.21 -1.94 116.42 119.36 3gxt h ASP 182 Ca -0.02 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 3gxt h ASP 182 Cb 0.29 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3gxt h ASP 182 CO 0.04 1.08 -0.14 1.23 -3.12 0.00 0.00 179.24 178.32 3gxt h GLY 183 N 0.97 -0.41 0.25 2.75 0.00 -0.17 0.13 103.07 106.59 3gxt h GLY 183 Ca 0.15 0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.69 3gxt h GLY 183 CO 0.04 -0.15 -0.18 -0.97 0.00 0.00 0.00 176.54 175.29 3gxt h TYR 184 N -0.44 -0.45 -0.38 5.60 0.05 -0.80 -2.42 116.97 118.13 3gxt h TYR 184 Ca -0.04 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 3gxt h TYR 184 Cb 0.33 0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 3gxt h TYR 184 CO -0.04 -0.25 0.23 0.87 -1.05 0.00 0.00 178.16 177.92 3gxt h LYS 185 N -0.16 0.51 -0.77 4.88 1.57 -1.23 -3.04 116.57 118.33 3gxt h LYS 185 Ca 0.14 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3gxt h LYS 185 Cb 0.38 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3gxt h LYS 185 CO -0.36 0.38 0.37 1.25 -0.57 0.00 0.00 179.45 180.52 3gxt h HIS 186 N 0.50 1.09 -0.42 -1.35 2.76 -0.52 -1.89 115.15 115.32 3gxt h HIS 186 Ca 0.14 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 3gxt h HIS 186 Cb -0.00 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.60 3gxt h HIS 186 CO -0.04 0.79 0.19 1.98 -1.30 0.00 0.00 177.93 179.55 3gxt h MET 187 N 1.09 0.61 -0.57 5.26 1.85 -1.42 -2.54 114.93 119.20 3gxt h MET 187 Ca 0.26 -0.10 0.11 0.00 -0.61 0.00 0.00 59.70 59.37 3gxt h MET 187 Cb 0.11 -0.11 -0.09 0.00 0.43 0.00 0.00 31.60 31.94 3gxt h MET 187 CO -0.03 0.55 0.06 1.03 -0.40 0.00 0.00 176.91 178.11 3gxt h SER 188 N 0.53 -0.14 -0.45 1.39 0.87 -1.24 -0.82 113.55 113.70 3gxt h SER 188 Ca 0.14 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 3gxt h SER 188 Cb 0.15 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3gxt h SER 188 CO -0.01 -0.05 0.06 -0.07 -0.53 0.00 0.00 176.83 176.22 3gxt h LEU 189 N 0.18 0.79 -0.54 2.23 3.38 -1.38 -2.42 115.31 117.54 3gxt h LEU 189 Ca 0.30 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 3gxt h LEU 189 Cb 0.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3gxt h LEU 189 CO -0.44 0.82 -0.63 0.00 0.09 0.00 0.00 178.44 178.28 3gxt h ALA 190 N 1.28 0.74 -0.22 1.53 0.00 -0.79 -1.77 119.26 120.02 3gxt h ALA 190 Ca 0.16 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3gxt h ALA 190 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gxt h ALA 190 CO 0.01 0.73 -0.06 -0.07 0.00 0.00 0.00 179.25 179.86 3gxt h LEU 191 N 0.27 0.44 -0.68 0.00 3.38 -1.09 -2.50 115.31 115.13 3gxt h LEU 191 Ca -0.01 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.61 3gxt h LEU 191 Cb 1.16 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3gxt h LEU 191 CO 0.11 0.71 0.44 -1.13 0.09 0.00 0.00 178.44 178.66 3gxt h ASN 192 N 0.17 0.74 -0.56 -0.43 -0.73 -1.30 -2.87 115.58 110.60 3gxt h ASN 192 Ca 0.06 -0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.23 3gxt h ASN 192 Cb 0.52 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.91 3gxt h ASN 192 CO 0.02 0.53 0.37 0.03 -0.37 0.00 0.00 177.43 178.00 3gxt h ARG 193 N 0.88 0.72 -1.03 6.67 3.08 -1.30 -2.81 114.38 120.59 3gxt h ARG 193 Ca 0.26 -0.04 0.42 0.00 0.07 0.00 0.00 59.98 60.69 3gxt h ARG 193 Cb -0.04 -0.16 -0.17 0.00 0.08 0.00 0.00 29.97 29.68 3gxt h ARG 193 CO -0.08 0.48 0.58 0.25 -1.07 0.00 0.00 179.97 180.13 3gxt n THR 194 N -4.71 -0.38 0.00 2.04 -2.24 -0.94 -4.71 114.28 103.34 3gxt n THR 194 Ca 0.04 1.94 0.00 0.00 -2.27 0.00 0.00 64.05 63.76 3gxt n THR 194 Cb 0.03 -3.16 0.00 0.00 -2.10 0.00 0.00 70.33 65.10 3gxt n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxt n GLY 195 N -1.29 0.56 3.71 3.38 0.00 -1.06 -5.09 105.19 105.39 3gxt n GLY 195 Ca 0.37 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 3gxt n GLY 195 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gxt s ARG 196 N -0.79 3.02 -0.59 1.61 3.52 -1.26 -5.04 118.95 119.42 3gxt s ARG 196 Ca 0.00 -0.39 -0.27 0.00 -0.13 0.00 0.00 55.73 54.94 3gxt s ARG 196 Cb 0.00 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.55 3gxt s ARG 196 CO 0.00 0.70 1.68 -1.12 -0.81 0.00 0.00 175.30 175.76 3gxt s SER 197 N -0.99 5.63 -0.14 -2.12 0.01 -1.26 -4.77 113.70 110.05 3gxt s SER 197 Ca 0.14 0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.70 3gxt s SER 197 Cb -0.11 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.62 3gxt s SER 197 CO 0.04 -2.11 -0.05 -0.63 0.41 0.00 0.00 173.24 170.90 3gxt s ILE 198 N 7.79 0.97 -0.03 1.44 1.01 -1.26 -4.72 121.20 126.40 3gxt s ILE 198 Ca 0.61 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 3gxt s ILE 198 Cb -0.12 -1.12 -0.06 0.00 0.01 0.00 0.00 42.46 41.17 3gxt s ILE 198 CO 0.22 0.18 1.58 -0.69 0.00 0.00 0.00 174.94 176.24 3gxt s VAL 199 N 1.71 3.57 -0.30 2.92 1.01 -0.58 -4.85 120.40 123.88 3gxt s VAL 199 Ca 0.02 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 3gxt s VAL 199 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3gxt s VAL 199 CO -0.08 -0.05 0.18 -0.47 0.00 0.00 0.00 175.10 174.69 3gxt s TYR 200 N 3.49 3.20 -0.18 5.22 5.04 -1.26 -0.40 117.35 132.45 3gxt s TYR 200 Ca 0.70 -0.18 -0.01 0.00 -2.44 0.00 0.00 57.07 55.15 3gxt s TYR 200 Cb -0.33 -2.39 0.00 0.00 0.35 0.00 0.00 41.96 39.59 3gxt s TYR 200 CO 0.28 -0.30 -0.14 0.45 -1.34 0.00 0.00 175.55 174.51 3gxt s SER 201 N 1.70 3.66 0.21 4.32 0.15 0.31 -0.55 113.70 123.50 3gxt s SER 201 Ca 0.06 -0.51 0.08 0.00 0.70 0.00 0.00 55.95 56.27 3gxt s SER 201 Cb -0.17 -1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 3gxt s SER 201 CO 0.09 0.02 0.05 0.00 1.20 0.00 0.00 173.24 174.60 3gxt n GLU 203 N -0.52 2.55 -0.31 0.00 1.02 -1.15 -1.11 120.64 121.13 3gxt n GLU 203 Ca -0.08 -1.94 -0.02 0.00 -0.02 0.00 0.00 57.16 55.10 3gxt n GLU 203 Cb 0.56 -1.22 0.02 0.00 -0.02 0.00 0.00 31.44 30.78 3gxt n GLU 203 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3gxt n TRP 204 N -0.58 -0.01 -0.05 -0.32 -0.00 -1.26 -2.35 117.44 112.87 3gxt n TRP 204 Ca 0.07 0.97 -0.14 0.00 -0.00 0.00 0.00 57.50 58.40 3gxt n TRP 204 Cb 0.42 -0.77 -0.08 0.00 -0.00 0.00 0.00 31.31 30.88 3gxt n TRP 204 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3gxt h PRO 205 N 0.00 0.36 -0.98 5.87 0.13 -1.90 -2.10 132.00 133.38 3gxt h PRO 205 Ca 0.26 -0.23 0.27 0.00 -0.87 0.00 0.00 66.00 65.42 3gxt h PRO 205 Cb 0.46 0.03 -0.18 0.00 0.13 0.00 0.00 31.00 31.43 3gxt h PRO 205 CO -0.78 0.83 0.04 1.25 -0.23 0.00 0.00 178.00 179.11 3gxt h LEU 206 N -0.06 -0.45 0.00 1.56 5.85 -1.12 0.50 115.31 121.58 3gxt h LEU 206 Ca 0.00 0.27 -0.21 0.00 0.84 0.00 0.00 57.88 58.79 3gxt h LEU 206 Cb 0.82 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 3gxt h LEU 206 CO 0.05 -0.34 -1.05 1.88 -0.34 0.00 0.00 178.44 178.64 3gxt h TYR 207 N 0.02 0.00 -0.21 1.25 0.05 -1.46 -3.25 116.97 113.37 3gxt h TYR 207 Ca 0.59 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 59.18 3gxt h TYR 207 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 3gxt h TYR 207 CO -0.48 0.92 -0.64 1.98 -1.05 0.00 0.00 178.16 178.88 3gxt h MET 208 N 0.00 0.75 -0.81 4.88 4.05 -0.30 -3.37 114.93 120.13 3gxt h MET 208 Ca -0.05 -0.53 0.15 0.00 -0.28 0.00 0.00 59.70 58.98 3gxt h MET 208 Cb 1.75 0.08 -0.14 0.00 -0.80 0.00 0.00 31.60 32.49 3gxt h MET 208 CO 0.11 1.15 -0.25 0.91 0.23 0.00 0.00 176.91 179.06 3gxt n TRP 209 N -3.96 0.18 0.42 1.39 5.03 0.16 -1.30 117.44 119.36 3gxt n TRP 209 Ca -0.05 0.99 0.07 0.00 3.03 0.00 0.00 57.50 61.54 3gxt n TRP 209 Cb 0.67 -0.90 0.29 0.00 -1.03 0.00 0.00 31.31 30.34 3gxt n TRP 209 CO 0.00 0.00 0.00 -2.30 -0.03 0.00 0.00 177.69 175.36 3gxt n PRO 210 N -5.27 0.02 -0.07 -0.99 -0.02 -1.26 -3.13 135.00 124.28 3gxt n PRO 210 Ca 0.11 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.76 3gxt n PRO 210 Cb 0.37 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.25 3gxt n PRO 210 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3gxt n PHE 211 N -1.58 0.00 -3.52 6.00 3.72 -0.42 -5.07 117.46 116.59 3gxt n PHE 211 Ca 0.03 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.26 3gxt n PHE 211 Cb 0.15 -0.54 -0.06 0.00 -0.94 0.00 0.00 39.48 38.09 3gxt n PHE 211 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3gxt s GLN 212 N -2.28 1.07 0.23 -1.08 -2.07 -1.01 -5.14 119.66 109.37 3gxt s GLN 212 Ca -0.20 0.17 -0.30 0.00 -1.82 0.00 0.00 55.36 53.21 3gxt s GLN 212 Cb 0.07 0.50 -0.15 0.00 -1.09 0.00 0.00 33.01 32.33 3gxt s GLN 212 CO 0.29 -0.35 0.98 1.63 -1.32 0.00 0.00 175.29 176.53 3gxt n LYS 213 N 0.80 1.02 -2.78 9.60 4.01 -1.26 -3.86 118.16 125.69 3gxt n LYS 213 Ca -0.19 0.36 -0.37 0.00 -0.51 0.00 0.00 58.31 57.61 3gxt n LYS 213 Cb 0.58 -1.72 -0.06 0.00 -0.51 0.00 0.00 35.03 33.31 3gxt n LYS 213 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 3gxt s PRO 214 N -1.00 4.56 -1.05 1.97 0.02 -1.26 -4.96 135.00 133.27 3gxt s PRO 214 Ca 0.65 1.31 -0.18 0.00 0.02 0.00 0.00 61.00 62.81 3gxt s PRO 214 Cb -0.81 -2.76 0.12 0.00 0.02 0.00 0.00 34.50 31.07 3gxt s PRO 214 CO 0.56 0.26 1.32 1.21 -0.33 0.00 0.00 177.00 180.03 3gxt s ASN 215 N -1.65 6.73 0.20 2.53 3.84 -1.26 -4.88 114.94 120.45 3gxt s ASN 215 Ca 0.51 -2.20 -0.11 0.00 0.21 0.00 0.00 52.86 51.26 3gxt s ASN 215 Cb -0.18 -2.45 0.14 0.00 -0.55 0.00 0.00 41.25 38.22 3gxt s ASN 215 CO 0.23 -1.08 1.85 1.88 -2.79 0.00 0.00 177.10 177.19 3gxt h TYR 216 N 8.48 0.80 -0.74 0.43 0.05 -1.95 0.18 116.97 124.23 3gxt h TYR 216 Ca 0.23 0.02 0.14 0.00 0.05 0.00 0.00 58.73 59.18 3gxt h TYR 216 Cb 0.97 -0.27 -0.14 0.00 1.01 0.00 0.00 36.73 38.30 3gxt h TYR 216 CO 1.20 0.48 -0.24 1.15 -1.05 0.00 0.00 178.16 179.70 3gxt h THR 217 N 0.85 0.20 -0.38 -2.88 2.02 -1.95 0.28 112.91 111.06 3gxt h THR 217 Ca 0.25 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.31 3gxt h THR 217 Cb -0.04 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 3gxt h THR 217 CO -0.08 0.00 -0.26 -0.08 0.37 0.00 0.00 175.52 175.47 3gxt h GLU 218 N -0.04 0.85 -0.07 6.66 4.81 -1.59 -3.17 114.58 122.03 3gxt h GLU 218 Ca 0.33 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3gxt h GLU 218 Cb 0.56 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3gxt h GLU 218 CO -0.78 1.05 0.04 0.82 -0.73 0.00 0.00 179.01 179.41 3gxt h ILE 219 N 0.65 1.03 -1.36 2.32 2.04 0.09 -1.81 117.51 120.47 3gxt h ILE 219 Ca 0.07 -0.07 0.40 0.00 1.00 0.00 0.00 64.86 66.27 3gxt h ILE 219 Cb 0.84 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 3gxt h ILE 219 CO 0.07 0.03 0.94 -0.09 0.00 0.00 0.00 178.15 179.09 3gxt h ARG 220 N 0.08 0.09 0.00 2.37 2.43 -0.48 0.15 114.38 119.03 3gxt h ARG 220 Ca 0.02 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3gxt h ARG 220 Cb 0.01 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3gxt h ARG 220 CO -0.01 0.06 -0.14 1.96 -1.51 0.00 0.00 179.97 180.34 3gxt h GLN 221 N 0.10 0.00 -0.00 0.20 4.20 -1.30 0.15 115.11 118.46 3gxt h GLN 221 Ca 0.72 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.43 3gxt h GLN 221 Cb 2.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.30 3gxt h GLN 221 CO -0.18 0.14 -0.07 0.66 -0.67 0.00 0.00 178.83 178.71 3gxt n TYR 222 N -3.63 0.00 -4.30 2.96 4.01 0.52 -4.31 117.16 112.41 3gxt n TYR 222 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 3gxt n TYR 222 Cb 0.26 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.14 3gxt n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gxt h ASN 224 N 6.55 0.50 -5.04 0.00 -0.26 -1.00 -3.21 115.58 113.11 3gxt h ASN 224 Ca -0.34 -0.27 -0.10 0.00 -0.56 0.00 0.00 56.30 55.03 3gxt h ASN 224 Cb 1.17 -0.13 -0.18 0.00 -1.06 0.00 0.00 38.32 38.12 3gxt h ASN 224 CO 0.49 0.64 -0.24 -1.38 -1.06 0.00 0.00 177.43 175.88 3gxt s HIS 225 N -5.14 -0.13 -0.04 1.19 -3.43 -1.21 -0.88 115.29 105.64 3gxt s HIS 225 Ca -0.13 0.06 0.06 0.00 -0.80 0.00 0.00 55.06 54.24 3gxt s HIS 225 Cb 0.08 0.10 -0.01 0.00 -1.43 0.00 0.00 32.58 31.33 3gxt s HIS 225 CO 0.75 -0.48 -0.21 1.67 -2.00 0.00 0.00 174.74 174.47 3gxt s TRP 226 N -2.26 2.01 -0.01 0.38 -2.14 -0.41 -1.00 118.94 115.51 3gxt s TRP 226 Ca -0.07 -0.52 -0.29 0.00 2.66 0.00 0.00 56.10 57.88 3gxt s TRP 226 Cb -0.02 -1.32 -0.03 0.00 -3.10 0.00 0.00 33.47 29.00 3gxt s TRP 226 CO -0.01 -0.13 0.95 1.03 -2.66 0.00 0.00 176.95 176.12 3gxt s ARG 227 N -0.21 4.55 -0.26 3.25 1.81 -0.27 -0.30 118.95 127.52 3gxt s ARG 227 Ca 0.01 1.36 -0.15 0.00 -1.72 0.00 0.00 55.73 55.22 3gxt s ARG 227 Cb -0.11 -3.46 -0.11 0.00 -0.45 0.00 0.00 34.95 30.82 3gxt s ARG 227 CO 0.02 -0.03 -0.34 0.09 -0.68 0.00 0.00 175.30 174.35 3gxt n ASN 228 N 3.88 1.95 -4.14 0.23 3.02 -0.80 -2.45 115.26 116.95 3gxt n ASN 228 Ca 0.05 0.34 -0.21 0.00 -0.03 0.00 0.00 54.58 54.73 3gxt n ASN 228 Cb 0.51 -0.81 -0.01 0.00 -0.61 0.00 0.00 39.78 38.86 3gxt n ASN 228 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3gxt n PHE 229 N -4.29 -0.40 -0.81 3.10 7.35 -1.26 -3.81 117.46 117.33 3gxt n PHE 229 Ca -0.47 -1.81 -0.34 0.00 -0.76 0.00 0.00 57.45 54.07 3gxt n PHE 229 Cb 0.82 -0.32 0.11 0.00 0.35 0.00 0.00 39.48 40.44 3gxt n PHE 229 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gxt n ALA 230 N -2.04 -3.74 -0.64 3.13 0.00 -1.26 -4.96 120.51 110.99 3gxt n ALA 230 Ca -0.14 -0.87 -0.31 0.00 0.00 0.00 0.00 53.44 52.13 3gxt n ALA 230 Cb 0.48 -1.54 0.19 0.00 0.00 0.00 0.00 19.45 18.58 3gxt n ALA 230 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gxt n ASP 231 N -0.26 -0.21 -4.72 0.00 9.92 -1.26 -4.95 116.55 115.07 3gxt n ASP 231 Ca 0.03 0.30 -0.31 0.00 -0.53 0.00 0.00 54.79 54.27 3gxt n ASP 231 Cb 0.58 -1.42 -0.08 0.00 -0.64 0.00 0.00 41.12 39.56 3gxt n ASP 231 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3gxt s ILE 232 N -2.58 4.27 0.00 0.53 2.07 -1.26 -5.05 121.20 119.18 3gxt s ILE 232 Ca 0.67 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 59.17 3gxt s ILE 232 Cb -0.23 -2.99 0.00 0.00 0.13 0.00 0.00 42.46 39.37 3gxt s ILE 232 CO 0.60 0.23 0.00 0.47 -1.91 0.00 0.00 174.94 174.33 3gxt n ASP 233 N 0.88 1.31 -2.90 4.50 8.00 -1.26 -4.95 116.55 122.13 3gxt n ASP 233 Ca -0.12 -0.99 -0.40 0.00 0.71 0.00 0.00 54.79 53.99 3gxt n ASP 233 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.66 3gxt n ASP 233 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gxt n ASP 234 N -1.68 7.54 -3.89 -2.24 -0.08 -1.26 -4.91 116.55 110.02 3gxt n ASP 234 Ca 0.00 -3.83 -0.22 0.00 -1.51 0.00 0.00 54.79 49.23 3gxt n ASP 234 Cb 0.00 -1.07 -0.17 0.00 2.34 0.00 0.00 41.12 42.23 3gxt n ASP 234 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3gxt s SER 235 N -1.10 1.33 0.56 1.67 1.04 -1.26 -3.97 113.70 111.96 3gxt s SER 235 Ca 0.52 -0.17 0.32 0.00 0.48 0.00 0.00 55.95 57.10 3gxt s SER 235 Cb 0.44 -0.55 1.47 0.00 0.10 0.00 0.00 66.02 67.48 3gxt s SER 235 CO -0.40 -0.07 1.85 -0.25 0.98 0.00 0.00 173.24 175.35 3gxt h TRP 236 N 7.45 0.00 0.61 5.02 2.91 -1.93 0.78 115.95 130.79 3gxt h TRP 236 Ca -0.33 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.66 3gxt h TRP 236 Cb 1.15 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.81 3gxt h TRP 236 CO 0.49 0.00 -0.29 -0.22 -1.03 0.00 0.00 178.44 177.39 3gxt h LYS 237 N 0.00 -0.78 0.30 2.65 3.64 -1.97 -0.45 116.57 119.95 3gxt h LYS 237 Ca 0.39 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 3gxt h LYS 237 Cb 1.71 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.69 3gxt h LYS 237 CO -0.00 -0.51 -0.26 1.03 -2.27 0.00 0.00 179.45 177.44 3gxt h SER 238 N -0.85 -0.69 -0.68 4.20 0.87 -1.27 -1.64 113.55 113.48 3gxt h SER 238 Ca -0.08 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3gxt h SER 238 Cb 0.64 0.23 -0.09 0.00 -0.44 0.00 0.00 62.40 62.74 3gxt h SER 238 CO 0.14 -0.39 -0.52 0.40 -0.53 0.00 0.00 176.83 175.93 3gxt h ILE 239 N -0.58 0.00 -0.96 2.23 1.08 -1.29 0.88 117.51 118.87 3gxt h ILE 239 Ca -0.02 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.73 3gxt h ILE 239 Cb 0.52 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.13 3gxt h ILE 239 CO -0.03 0.00 0.47 0.11 -0.69 0.00 0.00 178.15 178.01 3gxt h LYS 240 N -0.15 0.34 0.01 2.37 1.57 -0.38 -1.10 116.57 119.22 3gxt h LYS 240 Ca 0.11 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.68 3gxt h LYS 240 Cb 0.44 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3gxt h LYS 240 CO -0.72 0.22 -0.88 0.66 -0.57 0.00 0.00 179.45 178.16 3gxt h SER 241 N 0.35 0.08 0.63 0.86 4.64 0.03 0.32 113.55 120.45 3gxt h SER 241 Ca 0.66 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.88 3gxt h SER 241 Cb 1.39 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 63.47 3gxt h SER 241 CO -0.59 0.91 -0.30 0.40 -0.87 0.00 0.00 176.83 176.38 3gxt h ILE 242 N 0.03 0.00 -0.23 0.95 2.04 0.04 -0.47 117.51 119.87 3gxt h ILE 242 Ca -0.02 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.79 3gxt h ILE 242 Cb 1.53 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.54 3gxt h ILE 242 CO 0.12 0.00 -0.45 -0.07 0.00 0.00 0.00 178.15 177.75 3gxt h LEU 243 N -0.95 -1.43 -1.09 1.44 3.38 -1.35 0.33 115.31 115.63 3gxt h LEU 243 Ca -0.09 0.20 0.21 0.00 0.09 0.00 0.00 57.88 58.29 3gxt h LEU 243 Cb 0.65 0.59 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 3gxt h LEU 243 CO 0.14 -0.42 0.62 0.44 0.09 0.00 0.00 178.44 179.31 3gxt h ASP 244 N -0.45 0.69 1.29 -0.43 3.32 -0.41 0.35 116.42 120.79 3gxt h ASP 244 Ca 0.09 0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.10 3gxt h ASP 244 Cb 0.62 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3gxt h ASP 244 CO -0.47 0.21 -0.66 -0.25 -1.72 0.00 0.00 179.24 176.35 3gxt h TRP 245 N 0.66 0.00 0.19 4.55 7.01 -0.13 -2.17 115.95 126.06 3gxt h TRP 245 Ca 0.58 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.57 3gxt h TRP 245 Cb 1.06 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.12 3gxt h TRP 245 CO -0.00 0.66 -0.09 1.15 -2.79 0.00 0.00 178.44 177.37 3gxt h THR 246 N 0.00 0.00 -1.20 2.65 2.02 0.21 -2.93 112.91 113.66 3gxt h THR 246 Ca -0.01 -0.53 0.34 0.00 0.77 0.00 0.00 66.41 66.98 3gxt h THR 246 Cb 1.49 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 3gxt h THR 246 CO 0.09 0.00 0.84 0.77 0.37 0.00 0.00 175.52 177.58 3gxt h SER 247 N -0.79 0.13 -0.31 4.18 4.64 -0.55 -1.26 113.55 119.59 3gxt h SER 247 Ca -0.03 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3gxt h SER 247 Cb 0.20 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3gxt h SER 247 CO 0.04 0.01 0.19 0.15 -0.87 0.00 0.00 176.83 176.35 3gxt h PHE 248 N 0.11 0.36 -2.08 4.77 3.57 -1.21 -3.18 116.94 119.28 3gxt h PHE 248 Ca 0.61 0.01 -0.63 0.00 3.53 0.00 0.00 57.97 61.49 3gxt h PHE 248 Cb 2.18 -0.12 -0.39 0.00 2.79 0.00 0.00 35.95 40.41 3gxt h PHE 248 CO -0.00 0.22 -0.36 0.27 -2.23 0.00 0.00 178.31 176.21 3gxt n ASN 249 N -4.89 5.07 0.10 0.41 6.94 -0.49 -4.72 115.26 117.68 3gxt n ASN 249 Ca -0.01 -3.71 -0.24 0.00 -0.02 0.00 0.00 54.58 50.61 3gxt n ASN 249 Cb 0.04 -0.64 -0.15 0.00 -2.36 0.00 0.00 39.78 36.66 3gxt n ASN 249 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 3gxt h GLN 250 N 3.04 0.45 -0.80 -3.83 3.07 -1.51 -3.05 115.11 112.48 3gxt h GLN 250 Ca 0.25 -0.77 0.24 0.00 0.09 0.00 0.00 58.65 58.45 3gxt h GLN 250 Cb 0.55 0.29 -0.15 0.00 0.08 0.00 0.00 27.48 28.25 3gxt h GLN 250 CO 0.91 1.37 0.07 0.39 0.09 0.00 0.00 178.83 181.65 3gxt n GLU 251 N -3.64 -0.06 0.14 0.06 1.02 -1.26 -0.34 120.64 116.56 3gxt n GLU 251 Ca -0.22 1.18 0.02 0.00 -0.02 0.00 0.00 57.16 58.12 3gxt n GLU 251 Cb 1.09 -1.91 0.05 0.00 -0.02 0.00 0.00 31.44 30.65 3gxt n GLU 251 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3gxt h ARG 252 N 0.00 0.00 0.00 3.49 2.43 -1.92 -3.42 114.38 114.97 3gxt h ARG 252 Ca 0.51 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.60 3gxt h ARG 252 Cb 1.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3gxt h ARG 252 CO -0.73 0.53 -1.29 0.44 -1.51 0.00 0.00 179.97 177.41 3gxt n ILE 253 N -3.27 0.29 -0.25 1.20 -5.35 0.54 -4.71 119.36 107.81 3gxt n ILE 253 Ca 0.02 -0.15 0.19 0.00 -0.27 0.00 0.00 62.75 62.53 3gxt n ILE 253 Cb 0.72 -0.82 0.51 0.00 -1.74 0.00 0.00 39.64 38.31 3gxt n ILE 253 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 3gxt h VAL 254 N 0.00 0.68 0.00 7.28 -1.51 -1.33 -2.40 116.25 118.97 3gxt h VAL 254 Ca -0.11 -0.14 -0.16 0.00 -1.23 0.00 0.00 66.70 65.05 3gxt h VAL 254 Cb 1.23 0.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 3gxt h VAL 254 CO -0.00 0.08 -0.80 0.44 -1.23 0.00 0.00 177.57 176.05 3gxt h ASP 255 N 0.42 0.00 0.33 4.19 5.19 -1.84 -3.06 116.42 121.65 3gxt h ASP 255 Ca 0.47 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.84 3gxt h ASP 255 Cb 1.16 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 3gxt h ASP 255 CO -0.18 0.76 -0.19 0.58 -3.12 0.00 0.00 179.24 177.09 3gxt h VAL 256 N 0.00 0.87 -3.23 -1.35 2.07 -1.71 -3.44 116.25 109.46 3gxt h VAL 256 Ca -0.02 -0.73 -0.54 0.00 0.82 0.00 0.00 66.70 66.24 3gxt h VAL 256 Cb 1.60 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3gxt h VAL 256 CO 0.10 0.19 0.53 0.00 0.02 0.00 0.00 177.57 178.41 3gxt s ALA 257 N -4.30 3.35 0.00 1.67 0.00 -1.16 -4.93 121.76 116.39 3gxt s ALA 257 Ca -0.03 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3gxt s ALA 257 Cb 0.14 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3gxt s ALA 257 CO 0.65 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.41 3gxt n GLY 258 N 3.17 0.74 0.00 0.00 0.00 -0.98 -4.39 105.19 103.73 3gxt n GLY 258 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3gxt n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gxt n PRO 259 N -0.18 0.00 -0.39 1.61 -0.02 -1.26 -0.68 135.00 134.08 3gxt n PRO 259 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gxt n PRO 259 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3gxt n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxt n GLY 260 N 0.00 1.35 3.40 -1.23 0.00 0.72 -4.86 105.19 104.57 3gxt n GLY 260 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3gxt n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gxt s GLY 261 N -1.81 -0.48 0.13 -0.02 0.00 0.14 -2.10 107.32 103.17 3gxt s GLY 261 Ca 0.00 1.80 0.08 0.00 0.00 0.00 0.00 44.72 46.60 3gxt s GLY 261 CO 0.00 2.59 -0.19 -0.98 0.00 0.00 0.00 173.10 174.52 3gxt s TRP 262 N 2.62 1.74 -0.12 1.90 0.52 -0.06 -2.32 118.94 123.22 3gxt s TRP 262 Ca -0.04 -0.45 -0.30 0.00 0.02 0.00 0.00 56.10 55.33 3gxt s TRP 262 Cb -0.12 -0.91 -0.02 0.00 -1.15 0.00 0.00 33.47 31.28 3gxt s TRP 262 CO -0.15 0.25 1.12 -0.80 0.02 0.00 0.00 176.95 177.39 3gxt s ASN 263 N -2.28 7.10 -0.41 2.95 0.01 -1.26 -1.29 114.94 119.76 3gxt s ASN 263 Ca 0.10 1.63 -0.13 0.00 -0.71 0.00 0.00 52.86 53.75 3gxt s ASN 263 Cb -0.08 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 39.07 3gxt s ASN 263 CO 0.05 -0.59 0.28 -0.62 -1.51 0.00 0.00 177.10 174.71 3gxt s ASP 264 N 1.40 5.93 -0.11 -1.22 -1.08 0.59 -4.48 116.67 117.70 3gxt s ASP 264 Ca 0.51 -1.09 0.11 0.00 -0.52 0.00 0.00 52.55 51.55 3gxt s ASP 264 Cb -0.21 -2.10 0.50 0.00 -1.46 0.00 0.00 42.92 39.65 3gxt s ASP 264 CO 0.17 -0.48 1.31 -0.81 0.52 0.00 0.00 175.17 175.88 3gxt n PRO 265 N 5.08 3.10 -0.53 4.34 -0.04 -1.26 -1.91 135.00 143.79 3gxt n PRO 265 Ca -0.11 -1.93 0.07 0.00 -0.04 0.00 0.00 63.50 61.48 3gxt n PRO 265 Cb 0.45 -1.82 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 3gxt n PRO 265 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3gxt n ASP 266 N 0.54 -3.15 -4.61 3.54 -0.08 -1.26 -4.97 116.55 106.56 3gxt n ASP 266 Ca 0.17 0.33 -0.38 0.00 -1.51 0.00 0.00 54.79 53.40 3gxt n ASP 266 Cb 0.73 -1.67 0.05 0.00 2.34 0.00 0.00 41.12 42.57 3gxt n ASP 266 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3gxt n MET 267 N -2.88 0.88 -2.28 -0.67 2.81 -1.26 -4.88 117.12 108.84 3gxt n MET 267 Ca -0.01 0.34 -0.43 0.00 -1.81 0.00 0.00 57.70 55.79 3gxt n MET 267 Cb 0.24 -2.13 -0.02 0.00 -0.71 0.00 0.00 33.22 30.60 3gxt n MET 267 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3gxt s LEU 268 N -1.81 3.98 0.00 4.03 1.43 0.13 -4.89 118.68 121.55 3gxt s LEU 268 Ca 0.75 1.53 0.22 0.00 -1.03 0.00 0.00 54.13 55.60 3gxt s LEU 268 Cb -0.42 -3.54 0.54 0.00 0.03 0.00 0.00 46.19 42.81 3gxt s LEU 268 CO 0.48 -1.07 1.47 1.33 0.23 0.00 0.00 176.35 178.79 3gxt n VAL 269 N 6.05 0.71 -2.03 -1.59 0.24 -1.26 -1.06 118.33 119.39 3gxt n VAL 269 Ca 0.16 -0.82 -0.41 0.00 -2.04 0.00 0.00 64.34 61.23 3gxt n VAL 269 Cb 0.45 0.66 -0.02 0.00 -1.47 0.00 0.00 33.84 33.47 3gxt n VAL 269 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3gxt s ILE 270 N -1.29 2.66 0.00 1.34 1.01 -1.26 -2.88 121.20 120.77 3gxt s ILE 270 Ca 0.42 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.65 3gxt s ILE 270 Cb 0.23 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3gxt s ILE 270 CO 0.31 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3gxt n GLY 271 N 1.81 2.34 0.00 6.18 0.00 -1.26 -4.86 105.19 109.41 3gxt n GLY 271 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3gxt n GLY 271 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gxt n ASN 272 N 0.00 0.00 -0.00 1.61 3.02 -1.14 -4.77 115.26 113.98 3gxt n ASN 272 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3gxt n ASN 272 Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3gxt n ASN 272 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gxt n PHE 273 N 0.00 0.00 0.12 3.10 3.72 -1.26 -4.83 117.46 118.30 3gxt n PHE 273 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 3gxt n PHE 273 Cb 0.00 -0.03 0.10 0.00 -0.94 0.00 0.00 39.48 38.61 3gxt n PHE 273 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3gxt h GLY 274 N 0.10 0.00 -5.51 1.37 0.00 -1.92 -3.45 103.07 93.66 3gxt h GLY 274 Ca -0.02 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.65 3gxt h GLY 274 CO 0.00 0.00 -0.57 1.08 0.00 0.00 0.00 176.54 177.05 3gxt s LEU 275 N -7.24 3.83 0.86 3.11 1.43 -1.26 -4.58 118.68 114.83 3gxt s LEU 275 Ca -0.00 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 3gxt s LEU 275 Cb 0.11 -1.91 0.11 0.00 0.03 0.00 0.00 46.19 44.53 3gxt s LEU 275 CO 0.77 0.35 1.11 -0.94 0.23 0.00 0.00 176.35 177.87 3gxt s SER 276 N -0.72 3.94 0.10 2.29 1.04 -1.26 -4.73 113.70 114.35 3gxt s SER 276 Ca 0.12 1.23 -0.23 0.00 0.48 0.00 0.00 55.95 57.55 3gxt s SER 276 Cb -0.12 -1.91 -0.07 0.00 0.10 0.00 0.00 66.02 64.03 3gxt s SER 276 CO 0.02 -2.31 1.38 -0.25 0.98 0.00 0.00 173.24 173.07 3gxt h TRP 277 N -1.32 -1.24 -0.36 5.02 2.91 -1.99 0.36 115.95 119.33 3gxt h TRP 277 Ca -0.49 0.07 0.10 0.00 1.13 0.00 0.00 58.89 59.70 3gxt h TRP 277 Cb 1.29 0.59 -0.01 0.00 -0.51 0.00 0.00 29.16 30.52 3gxt h TRP 277 CO 0.40 -0.33 0.27 -0.91 -1.03 0.00 0.00 178.44 176.84 3gxt h ASN 278 N -0.21 0.00 0.67 2.65 2.35 -1.93 0.36 115.58 119.46 3gxt h ASN 278 Ca 0.07 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 3gxt h ASN 278 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3gxt h ASN 278 CO -0.48 0.00 -0.65 1.56 -1.65 0.00 0.00 177.43 176.21 3gxt h GLN 279 N 0.00 0.00 -0.08 0.81 4.20 -1.42 -1.71 115.11 116.90 3gxt h GLN 279 Ca 0.17 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 3gxt h GLN 279 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3gxt h GLN 279 CO -0.00 0.65 -0.49 1.96 -0.67 0.00 0.00 178.83 180.28 3gxt h GLN 280 N 0.00 0.21 0.06 1.46 4.20 0.17 -1.62 115.11 119.59 3gxt h GLN 280 Ca -0.01 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3gxt h GLN 280 Cb 1.16 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.95 3gxt h GLN 280 CO 0.08 0.66 -0.03 -0.39 -0.67 0.00 0.00 178.83 178.48 3gxt h VAL 281 N 0.17 1.25 -0.98 -0.54 -1.51 -1.05 -2.43 116.25 111.17 3gxt h VAL 281 Ca 0.01 -1.15 0.30 0.00 -1.23 0.00 0.00 66.70 64.62 3gxt h VAL 281 Cb 0.92 1.99 -0.14 0.00 -2.13 0.00 0.00 31.29 31.93 3gxt h VAL 281 CO 0.07 0.28 0.52 0.74 -1.23 0.00 0.00 177.57 177.96 3gxt h THR 282 N -0.60 0.34 -0.36 7.19 2.02 -1.25 0.42 112.91 120.66 3gxt h THR 282 Ca -0.01 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 3gxt h THR 282 Cb 0.52 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3gxt h THR 282 CO 0.01 0.06 0.04 -0.61 0.37 0.00 0.00 175.52 175.39 3gxt h GLN 283 N 0.35 0.61 0.29 6.66 4.15 -0.97 -1.98 115.11 124.21 3gxt h GLN 283 Ca 0.69 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.92 3gxt h GLN 283 Cb 1.52 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.15 3gxt h GLN 283 CO -0.59 0.70 -0.14 1.98 -1.93 0.00 0.00 178.83 178.84 3gxt h MET 284 N 0.44 -0.38 -0.12 1.69 4.05 0.14 -1.46 114.93 119.30 3gxt h MET 284 Ca 0.11 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.58 3gxt h MET 284 Cb 0.40 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.22 3gxt h MET 284 CO 0.01 -0.04 -0.54 0.00 0.23 0.00 0.00 176.91 176.57 3gxt h ALA 285 N -0.26 -0.90 0.00 0.39 0.00 -0.68 -2.48 119.26 115.33 3gxt h ALA 285 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gxt h ALA 285 Cb 0.51 1.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3gxt h ALA 285 CO 0.07 -1.09 0.00 1.28 0.00 0.00 0.00 179.25 179.50 3gxt n LEU 286 N -5.44 0.69 0.08 0.00 4.32 -0.75 -0.49 117.00 115.42 3gxt n LEU 286 Ca -0.06 0.67 -0.13 0.00 -0.02 0.00 0.00 56.01 56.46 3gxt n LEU 286 Cb 0.38 -0.57 -0.07 0.00 -1.62 0.00 0.00 43.42 41.54 3gxt n LEU 286 CO 0.09 -0.56 0.12 -0.50 -1.22 0.00 0.00 177.39 175.32 3gxt h TRP 287 N 0.00 0.52 0.05 -1.77 -0.00 -0.84 -0.03 115.95 113.88 3gxt h TRP 287 Ca 0.00 -0.31 -0.00 0.00 -0.00 0.00 0.00 58.89 58.57 3gxt h TRP 287 Cb 0.38 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.49 3gxt h TRP 287 CO 0.00 1.16 -0.03 0.00 -0.00 0.00 0.00 178.44 179.58 3gxt h ALA 288 N 0.73 -0.07 -0.48 1.49 0.00 -0.95 -0.61 119.26 119.37 3gxt h ALA 288 Ca -0.09 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.64 3gxt h ALA 288 Cb 1.70 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 3gxt h ALA 288 CO 0.17 -0.27 -0.42 0.82 0.00 0.00 0.00 179.25 179.55 3gxt h ILE 289 N -0.61 0.11 0.00 0.00 1.08 -0.81 -1.72 117.51 115.57 3gxt h ILE 289 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3gxt h ILE 289 Cb 0.53 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 3gxt h ILE 289 CO 0.01 0.00 0.00 0.23 -0.69 0.00 0.00 178.15 177.70 3gxt n MET 290 N -5.41 0.32 -3.75 2.37 2.81 -0.03 -2.46 117.12 110.97 3gxt n MET 290 Ca 0.01 0.08 -0.25 0.00 -1.81 0.00 0.00 57.70 55.72 3gxt n MET 290 Cb 0.35 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.40 3gxt n MET 290 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gxt n ALA 291 N -1.14 -1.60 -1.80 3.04 0.00 -0.65 -4.49 120.51 113.87 3gxt n ALA 291 Ca 0.09 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.25 3gxt n ALA 291 Cb 0.08 -3.61 -0.07 0.00 0.00 0.00 0.00 19.45 15.86 3gxt n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxt s ALA 292 N -3.44 3.15 0.83 0.00 0.00 -0.27 -4.60 121.76 117.45 3gxt s ALA 292 Ca 0.37 0.47 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 3gxt s ALA 292 Cb -0.18 -3.17 0.10 0.00 0.00 0.00 0.00 23.12 19.87 3gxt s ALA 292 CO 0.80 0.16 1.20 -1.25 0.00 0.00 0.00 175.76 176.67 3gxt s PRO 293 N -2.45 1.47 -0.42 0.00 0.04 -1.26 -4.79 135.00 127.60 3gxt s PRO 293 Ca 0.54 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.32 3gxt s PRO 293 Cb -0.15 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.74 3gxt s PRO 293 CO 0.20 -2.33 0.17 -0.51 0.04 0.00 0.00 177.00 174.57 3gxt s LEU 294 N -5.92 4.90 -0.43 -3.56 1.43 -0.34 -4.92 118.68 109.83 3gxt s LEU 294 Ca 0.72 -2.32 -0.07 0.00 -1.03 0.00 0.00 54.13 51.42 3gxt s LEU 294 Cb -0.28 -1.71 0.10 0.00 0.03 0.00 0.00 46.19 44.33 3gxt s LEU 294 CO 0.52 -0.41 0.27 -0.36 0.23 0.00 0.00 176.35 176.61 3gxt s PHE 295 N 0.69 3.43 0.21 0.29 2.99 -1.26 -1.87 117.98 122.47 3gxt s PHE 295 Ca 0.12 -1.89 -0.30 0.00 0.00 0.00 0.00 56.93 54.86 3gxt s PHE 295 Cb -0.21 -3.21 -0.09 0.00 0.00 0.00 0.00 43.02 39.51 3gxt s PHE 295 CO -0.05 -0.94 1.31 -1.64 -0.00 0.00 0.00 175.22 173.90 3gxt s MET 296 N 1.33 4.39 -0.31 0.44 -1.94 -0.65 0.20 119.30 122.76 3gxt s MET 296 Ca 0.05 2.07 0.01 0.00 -1.71 0.00 0.00 55.69 56.10 3gxt s MET 296 Cb -0.24 -3.19 0.09 0.00 2.01 0.00 0.00 34.83 33.51 3gxt s MET 296 CO -0.01 -0.25 0.07 0.45 -0.01 0.00 0.00 175.02 175.27 3gxt s SER 297 N 0.28 4.19 -0.08 3.03 0.15 -0.23 -0.54 113.70 120.51 3gxt s SER 297 Ca 0.56 -1.72 -0.30 0.00 0.70 0.00 0.00 55.95 55.19 3gxt s SER 297 Cb -0.37 -1.11 0.12 0.00 -1.71 0.00 0.00 66.02 62.95 3gxt s SER 297 CO 0.39 -0.38 0.98 0.54 1.20 0.00 0.00 173.24 175.96 3gxt s ASN 298 N 1.39 -0.32 -0.28 5.45 2.20 -1.26 -4.46 114.94 117.67 3gxt s ASN 298 Ca 0.08 0.09 -0.29 0.00 -0.94 0.00 0.00 52.86 51.80 3gxt s ASN 298 Cb -0.18 0.32 0.01 0.00 -2.00 0.00 0.00 41.25 39.40 3gxt s ASN 298 CO -0.18 -0.48 1.16 -0.62 -2.94 0.00 0.00 177.10 174.04 3gxt s ASP 299 N -2.10 6.89 0.49 3.54 -1.08 -1.26 -4.83 116.67 118.33 3gxt s ASP 299 Ca 0.04 1.24 0.28 0.00 -0.52 0.00 0.00 52.55 53.59 3gxt s ASP 299 Cb -0.01 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 40.07 3gxt s ASP 299 CO -0.06 -0.88 1.92 -0.07 0.52 0.00 0.00 175.17 176.60 3gxt h LEU 300 N 10.13 0.00 -0.03 -1.34 4.07 -1.98 -3.27 115.31 122.89 3gxt h LEU 300 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 3gxt h LEU 300 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 3gxt h LEU 300 CO 1.02 0.13 -0.13 0.54 -1.08 0.00 0.00 178.44 178.92 3gxt n ARG 301 N -3.31 0.14 -3.38 1.13 1.74 -1.26 -4.26 116.66 107.46 3gxt n ARG 301 Ca 0.00 -0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 56.87 3gxt n ARG 301 Cb 0.36 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.22 3gxt n ARG 301 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3gxt s HIS 302 N -2.88 -0.27 -0.05 -1.55 3.76 -1.23 -5.13 115.29 107.94 3gxt s HIS 302 Ca 0.17 -0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 54.32 3gxt s HIS 302 Cb 0.19 -0.46 0.01 0.00 1.11 0.00 0.00 32.58 33.43 3gxt s HIS 302 CO 0.55 -0.95 0.16 -1.50 -0.85 0.00 0.00 174.74 172.16 3gxt s ILE 303 N 1.67 0.01 0.32 0.60 2.07 -1.26 -4.76 121.20 119.85 3gxt s ILE 303 Ca 0.15 -0.10 -0.28 0.00 -1.41 0.00 0.00 60.65 59.01 3gxt s ILE 303 Cb -0.15 -0.26 -0.10 0.00 0.13 0.00 0.00 42.46 42.08 3gxt s ILE 303 CO -0.12 -0.05 1.17 -0.94 -1.91 0.00 0.00 174.94 173.09 3gxt s SER 304 N -0.12 6.99 0.22 4.50 1.04 -1.26 -4.86 113.70 120.21 3gxt s SER 304 Ca -0.02 2.39 -0.18 0.00 0.48 0.00 0.00 55.95 58.62 3gxt s SER 304 Cb -0.02 -2.63 0.22 0.00 0.10 0.00 0.00 66.02 63.69 3gxt s SER 304 CO 0.00 -0.35 1.56 -0.65 0.98 0.00 0.00 173.24 174.79 3gxt h PRO 305 N 3.46 -0.04 0.00 4.02 0.10 -2.01 -1.02 132.00 136.51 3gxt h PRO 305 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 3gxt h PRO 305 Cb 1.22 0.01 0.00 0.00 0.10 0.00 0.00 31.00 32.33 3gxt h PRO 305 CO 0.66 -0.03 0.00 1.04 0.10 0.00 0.00 178.00 179.77 3gxt n GLN 306 N -5.47 0.00 0.05 1.05 3.00 -1.26 -1.26 117.38 113.49 3gxt n GLN 306 Ca 0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 3gxt n GLN 306 Cb 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.49 3gxt n GLN 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxt h ALA 307 N 0.00 -0.06 -0.00 -1.58 0.00 -1.66 -1.57 119.26 114.38 3gxt h ALA 307 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 54.91 54.15 3gxt h ALA 307 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3gxt h ALA 307 CO 0.00 0.47 -0.28 -0.22 0.00 0.00 0.00 179.25 179.22 3gxt h LYS 308 N -0.31 -0.33 -1.03 0.00 3.64 -0.90 1.17 116.57 118.81 3gxt h LYS 308 Ca -0.18 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.51 3gxt h LYS 308 Cb 1.71 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 33.48 3gxt h LYS 308 CO 0.15 -0.22 0.61 0.00 -2.27 0.00 0.00 179.45 177.72 3gxt h ALA 309 N -0.94 1.96 0.30 5.00 0.00 -1.24 0.36 119.26 124.70 3gxt h ALA 309 Ca 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gxt h ALA 309 Cb 0.37 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gxt h ALA 309 CO -0.19 -0.47 -0.14 1.25 0.00 0.00 0.00 179.25 179.69 3gxt h LEU 310 N 0.45 -0.34 -2.00 0.00 6.46 -0.09 -2.96 115.31 116.83 3gxt h LEU 310 Ca 0.67 -0.17 0.11 0.00 -0.12 0.00 0.00 57.88 58.37 3gxt h LEU 310 Cb 1.48 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.48 3gxt h LEU 310 CO -0.48 0.02 0.42 -0.07 -0.62 0.00 0.00 178.44 177.70 3gxt h LEU 311 N -0.73 0.00 -3.53 2.25 3.38 0.34 -2.03 115.31 114.98 3gxt h LEU 311 Ca -0.04 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.64 3gxt h LEU 311 Cb 0.49 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.07 3gxt h LEU 311 CO 0.07 0.00 0.06 0.00 0.09 0.00 0.00 178.44 178.66 3gxt n GLN 312 N -3.75 2.04 -2.42 1.13 6.02 0.11 -4.98 117.38 115.52 3gxt n GLN 312 Ca 0.07 -3.22 -0.43 0.00 -0.01 0.00 0.00 57.00 53.41 3gxt n GLN 312 Cb 0.59 -1.93 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 3gxt n GLN 312 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3gxt s ASP 313 N -2.33 6.56 0.07 1.08 -1.08 -0.77 -4.92 116.67 115.29 3gxt s ASP 313 Ca 0.48 1.00 -0.29 0.00 -0.52 0.00 0.00 52.55 53.22 3gxt s ASP 313 Cb 0.43 -2.54 -0.14 0.00 -1.46 0.00 0.00 42.92 39.21 3gxt s ASP 313 CO 0.02 -1.21 1.46 0.11 0.52 0.00 0.00 175.17 176.07 3gxt h LYS 314 N 9.72 -0.75 -0.62 4.34 6.56 -1.91 -0.91 116.57 133.00 3gxt h LYS 314 Ca -0.26 0.05 0.13 0.00 -1.06 0.00 0.00 60.65 59.51 3gxt h LYS 314 Cb 1.10 0.17 -0.11 0.00 -0.57 0.00 0.00 32.23 32.82 3gxt h LYS 314 CO 1.06 -0.50 -0.05 -0.44 -2.06 0.00 0.00 179.45 177.45 3gxt h ASP 315 N -0.78 -0.39 0.31 0.86 3.32 -2.00 -0.95 116.42 116.79 3gxt h ASP 315 Ca -0.04 0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 3gxt h ASP 315 Cb 0.70 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3gxt h ASP 315 CO -0.10 -0.15 -0.53 0.58 -1.72 0.00 0.00 179.24 177.32 3gxt h VAL 316 N 0.07 1.36 0.57 -1.35 2.07 -1.93 -2.60 116.25 114.43 3gxt h VAL 316 Ca 0.32 -1.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 3gxt h VAL 316 Cb 0.51 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3gxt h VAL 316 CO -0.57 0.54 -0.27 0.40 0.02 0.00 0.00 177.57 177.68 3gxt h ILE 317 N 0.19 0.33 -0.04 4.57 2.04 0.16 -2.54 117.51 122.23 3gxt h ILE 317 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3gxt h ILE 317 Cb 1.00 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3gxt h ILE 317 CO 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 178.15 178.25 3gxt n ALA 318 N -2.56 -0.03 -0.16 1.87 0.00 -0.75 0.03 120.51 118.91 3gxt n ALA 318 Ca -0.12 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 3gxt n ALA 318 Cb 0.34 0.01 0.02 0.00 0.00 0.00 0.00 19.45 19.83 3gxt n ALA 318 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3gxt h ILE 319 N 0.00 1.08 -0.89 0.00 2.04 -1.16 0.47 117.51 119.05 3gxt h ILE 319 Ca 0.01 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.75 3gxt h ILE 319 Cb 0.02 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 3gxt h ILE 319 CO -0.04 0.11 0.58 -1.13 0.00 0.00 0.00 178.15 177.67 3gxt h ASN 320 N 0.60 0.83 -0.58 1.72 -0.73 -0.62 -2.96 115.58 113.85 3gxt h ASN 320 Ca 0.19 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.37 3gxt h ASN 320 Cb -0.02 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.42 3gxt h ASN 320 CO -0.07 0.50 0.00 0.00 -0.37 0.00 0.00 177.43 177.49 3gxt n GLN 321 N -4.52 2.48 -1.67 6.67 1.13 0.13 -4.73 117.38 116.88 3gxt n GLN 321 Ca 0.15 -2.13 -0.46 0.00 -1.94 0.00 0.00 57.00 52.62 3gxt n GLN 321 Cb 0.27 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 3gxt n GLN 321 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3gxt n ASP 322 N 1.16 3.02 0.23 1.08 2.03 0.52 -4.87 116.55 119.74 3gxt n ASP 322 Ca 0.20 1.09 0.07 0.00 0.52 0.00 0.00 54.79 56.67 3gxt n ASP 322 Cb 0.53 -1.42 0.55 0.00 -0.72 0.00 0.00 41.12 40.06 3gxt n ASP 322 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gxt h PRO 323 N 5.71 0.00 -0.43 -0.67 0.11 -1.94 -2.49 132.00 132.29 3gxt h PRO 323 Ca -0.45 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 3gxt h PRO 323 Cb 1.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3gxt h PRO 323 CO 0.87 0.17 0.07 1.25 -0.21 0.00 0.00 178.00 180.14 3gxt h LEU 324 N 0.00 -0.04 0.36 2.35 7.12 -1.94 -3.47 115.31 119.69 3gxt h LEU 324 Ca -0.00 0.08 -0.09 0.00 0.13 0.00 0.00 57.88 58.00 3gxt h LEU 324 Cb 0.31 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 3gxt h LEU 324 CO 0.02 0.02 -0.12 0.61 -0.13 0.00 0.00 178.44 178.84 3gxt n GLY 325 N -1.27 0.27 3.77 3.75 0.00 -0.94 -4.78 105.19 105.99 3gxt n GLY 325 Ca 0.04 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3gxt n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gxt s LYS 326 N -4.38 4.17 0.53 1.61 -0.14 -1.26 -3.93 119.74 116.33 3gxt s LYS 326 Ca 0.02 0.40 -0.19 0.00 -1.36 0.00 0.00 55.97 54.84 3gxt s LYS 326 Cb -0.01 -3.35 -0.07 0.00 -1.68 0.00 0.00 37.83 32.73 3gxt s LYS 326 CO 0.02 0.38 1.05 -1.14 -0.76 0.00 0.00 175.35 174.91 3gxt s GLN 327 N -0.09 3.61 0.03 1.68 0.74 -1.26 -4.62 119.66 119.74 3gxt s GLN 327 Ca 0.24 1.32 -0.00 0.00 0.05 0.00 0.00 55.36 56.97 3gxt s GLN 327 Cb -0.16 -2.07 0.01 0.00 1.10 0.00 0.00 33.01 31.89 3gxt s GLN 327 CO 0.11 -0.59 0.03 0.41 -0.55 0.00 0.00 175.29 174.71 3gxt n GLY 328 N -0.49 -0.62 3.11 2.59 0.00 -1.03 -4.72 105.19 104.03 3gxt n GLY 328 Ca 0.09 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.34 3gxt n GLY 328 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gxt n TYR 329 N -1.88 -1.17 -3.45 1.61 0.18 -0.50 -4.89 117.16 107.07 3gxt n TYR 329 Ca 0.00 -1.01 -0.43 0.00 1.88 0.00 0.00 57.90 58.35 3gxt n TYR 329 Cb 0.02 0.49 -0.08 0.00 -0.38 0.00 0.00 39.34 39.39 3gxt n TYR 329 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3gxt s GLN 330 N -2.04 2.84 0.04 -3.48 0.74 -1.26 -1.93 119.66 114.57 3gxt s GLN 330 Ca 0.19 -1.46 -0.24 0.00 0.05 0.00 0.00 55.36 53.90 3gxt s GLN 330 Cb -0.02 -4.05 -0.16 0.00 1.10 0.00 0.00 33.01 29.88 3gxt s GLN 330 CO 0.04 -1.06 1.49 1.25 -0.55 0.00 0.00 175.29 176.46 3gxt h LEU 331 N 8.66 0.06 -8.15 3.68 5.85 -0.06 -3.47 115.31 121.87 3gxt h LEU 331 Ca -0.27 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.05 3gxt h LEU 331 Cb 1.10 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 41.98 3gxt h LEU 331 CO 0.87 0.32 -0.44 -0.60 -0.34 0.00 0.00 178.44 178.25 3gxt s ARG 332 N -5.10 1.02 -0.02 1.25 3.52 -1.04 -5.01 118.95 113.57 3gxt s ARG 332 Ca -0.14 -1.22 -0.29 0.00 -0.13 0.00 0.00 55.73 53.95 3gxt s ARG 332 Cb 0.04 0.32 0.10 0.00 -1.56 0.00 0.00 34.95 33.86 3gxt s ARG 332 CO 0.68 -0.34 0.87 -1.14 -0.81 0.00 0.00 175.30 174.56 3gxt s GLN 333 N -3.97 0.84 0.00 5.12 -0.44 -1.26 -1.72 119.66 118.22 3gxt s GLN 333 Ca 0.17 -0.22 0.00 0.00 -2.50 0.00 0.00 55.36 52.81 3gxt s GLN 333 Cb 0.05 0.39 0.00 0.00 -1.64 0.00 0.00 33.01 31.81 3gxt s GLN 333 CO -0.02 -0.35 0.00 0.41 0.50 0.00 0.00 175.29 175.83 3gxt n GLY 334 N -0.05 3.39 2.51 2.59 0.00 -0.92 -4.99 105.19 107.72 3gxt n GLY 334 Ca -0.10 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 43.86 3gxt n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gxt n ASP 335 N 0.00 -5.53 -3.52 1.61 2.03 -1.26 -0.74 116.55 109.14 3gxt n ASP 335 Ca 0.00 -0.09 -0.25 0.00 0.52 0.00 0.00 54.79 54.97 3gxt n ASP 335 Cb 0.00 -4.52 -0.01 0.00 -0.72 0.00 0.00 41.12 35.87 3gxt n ASP 335 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3gxt n ASN 336 N -1.75 -3.44 -4.32 1.67 3.02 -1.26 -4.88 115.26 104.29 3gxt n ASN 336 Ca -0.19 -0.49 -0.21 0.00 -0.03 0.00 0.00 54.58 53.66 3gxt n ASN 336 Cb 0.65 -2.85 -0.11 0.00 -0.61 0.00 0.00 39.78 36.86 3gxt n ASN 336 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3gxt s PHE 337 N -2.96 1.77 -0.03 3.10 0.40 0.08 -0.24 117.98 120.10 3gxt s PHE 337 Ca 0.46 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 3gxt s PHE 337 Cb -0.25 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.42 3gxt s PHE 337 CO 0.56 0.31 -0.02 -1.21 0.70 0.00 0.00 175.22 175.56 3gxt s GLU 338 N -2.82 0.50 -0.27 0.44 2.02 -0.32 -2.17 118.70 116.08 3gxt s GLU 338 Ca 0.15 -0.03 -0.05 0.00 0.02 0.00 0.00 54.97 55.06 3gxt s GLU 338 Cb -0.05 -0.59 0.01 0.00 0.10 0.00 0.00 34.13 33.60 3gxt s GLU 338 CO 0.06 -0.08 0.03 0.08 0.02 0.00 0.00 175.26 175.38 3gxt s VAL 339 N 0.79 3.62 0.24 2.63 1.01 -0.70 0.00 120.40 127.99 3gxt s VAL 339 Ca -0.09 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.21 3gxt s VAL 339 Cb -0.12 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3gxt s VAL 339 CO -0.01 0.15 0.14 0.26 0.00 0.00 0.00 175.10 175.64 3gxt s TRP 340 N 1.45 3.02 -0.12 5.22 0.52 0.25 0.69 118.94 129.96 3gxt s TRP 340 Ca 0.02 -0.12 -0.28 0.00 0.02 0.00 0.00 56.10 55.74 3gxt s TRP 340 Cb -0.17 -1.37 0.07 0.00 -1.15 0.00 0.00 33.47 30.85 3gxt s TRP 340 CO 0.00 0.54 0.67 -1.83 0.02 0.00 0.00 176.95 176.35 3gxt s GLU 341 N -3.65 0.96 -0.06 4.98 -1.05 -0.81 -1.20 118.70 117.86 3gxt s GLU 341 Ca 0.32 0.49 0.03 0.00 -0.15 0.00 0.00 54.97 55.66 3gxt s GLU 341 Cb -0.08 0.46 0.01 0.00 -0.44 0.00 0.00 34.13 34.08 3gxt s GLU 341 CO 0.23 -0.24 -0.12 0.50 0.95 0.00 0.00 175.26 176.58 3gxt s ARG 342 N -0.65 1.61 0.06 -4.83 3.52 -0.09 -1.40 118.95 117.17 3gxt s ARG 342 Ca -0.07 -0.42 -0.26 0.00 -0.13 0.00 0.00 55.73 54.85 3gxt s ARG 342 Cb -0.02 -1.36 -0.06 0.00 -1.56 0.00 0.00 34.95 31.96 3gxt s ARG 342 CO 0.07 0.06 0.79 -1.25 -0.81 0.00 0.00 175.30 174.16 3gxt s PRO 343 N 0.54 4.52 0.33 5.12 0.04 -1.26 0.25 135.00 144.55 3gxt s PRO 343 Ca -0.12 1.11 0.09 0.00 0.04 0.00 0.00 61.00 62.12 3gxt s PRO 343 Cb -0.14 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 3gxt s PRO 343 CO 0.03 0.30 0.09 -0.51 0.04 0.00 0.00 177.00 176.95 3gxt s LEU 344 N -0.14 3.16 0.67 -3.56 1.43 -0.27 -4.49 118.68 115.49 3gxt s LEU 344 Ca 0.39 -0.84 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 3gxt s LEU 344 Cb -0.21 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3gxt s LEU 344 CO 0.24 -0.26 1.18 -0.94 0.23 0.00 0.00 176.35 176.80 3gxt s SER 345 N -3.79 4.76 0.00 2.29 1.04 -1.26 -3.42 113.70 113.32 3gxt s SER 345 Ca 0.36 2.25 0.00 0.00 0.48 0.00 0.00 55.95 59.04 3gxt s SER 345 Cb -0.02 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3gxt s SER 345 CO 0.21 -1.87 0.00 0.61 0.98 0.00 0.00 173.24 173.17 3gxt n GLY 346 N 0.15 0.61 2.15 7.32 0.00 -1.26 -3.65 105.19 110.51 3gxt n GLY 346 Ca 0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 3gxt n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxt n LEU 347 N 0.00 -0.17 -4.89 0.99 4.77 -1.25 -4.66 117.00 111.80 3gxt n LEU 347 Ca 0.00 0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.76 3gxt n LEU 347 Cb 0.00 -0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 3gxt n LEU 347 CO 0.00 -0.22 0.46 0.00 -1.33 0.00 0.00 177.39 176.30 3gxt s ALA 348 N -2.06 3.35 -0.07 -1.18 0.00 -1.22 -4.03 121.76 116.55 3gxt s ALA 348 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 3gxt s ALA 348 Cb 0.00 -2.68 0.03 0.00 0.00 0.00 0.00 23.12 20.47 3gxt s ALA 348 CO 0.00 -0.20 0.35 -1.58 0.00 0.00 0.00 175.76 174.33 3gxt s TRP 349 N -2.58 -0.30 -0.20 0.00 0.52 -0.71 -1.11 118.94 114.56 3gxt s TRP 349 Ca 0.50 0.63 -0.09 0.00 0.02 0.00 0.00 56.10 57.15 3gxt s TRP 349 Cb -0.10 0.13 -0.05 0.00 -1.15 0.00 0.00 33.47 32.30 3gxt s TRP 349 CO 0.38 -0.31 0.11 0.00 0.02 0.00 0.00 176.95 177.16 3gxt s ALA 350 N -0.62 3.59 -0.17 0.98 0.00 0.14 -1.00 121.76 124.68 3gxt s ALA 350 Ca -0.07 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 3gxt s ALA 350 Cb -0.04 -2.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.96 3gxt s ALA 350 CO 0.03 0.10 -0.14 0.08 0.00 0.00 0.00 175.76 175.83 3gxt s VAL 351 N 0.50 2.76 -0.22 0.00 1.01 -0.17 -0.91 120.40 123.37 3gxt s VAL 351 Ca 0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3gxt s VAL 351 Cb -0.12 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3gxt s VAL 351 CO -0.00 0.50 0.02 0.00 0.00 0.00 0.00 175.10 175.62 3gxt s ALA 352 N 0.94 3.04 -0.23 5.51 0.00 -0.34 -0.06 121.76 130.62 3gxt s ALA 352 Ca -0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 3gxt s ALA 352 Cb -0.15 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.11 3gxt s ALA 352 CO -0.02 -0.35 -0.10 -1.64 0.00 0.00 0.00 175.76 173.66 3gxt s MET 353 N 1.35 2.83 0.19 0.00 1.00 -0.47 0.86 119.30 125.06 3gxt s MET 353 Ca 0.05 -0.97 -0.04 0.00 0.00 0.00 0.00 55.69 54.72 3gxt s MET 353 Cb -0.15 -2.88 -0.05 0.00 0.00 0.00 0.00 34.83 31.75 3gxt s MET 353 CO 0.01 -0.37 0.42 0.42 0.00 0.00 0.00 175.02 175.51 3gxt s ILE 354 N 1.30 5.13 -0.24 2.53 1.01 0.10 -1.24 121.20 129.78 3gxt s ILE 354 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3gxt s ILE 354 Cb -0.16 -3.66 0.06 0.00 0.01 0.00 0.00 42.46 38.71 3gxt s ILE 354 CO -0.06 -0.07 -0.05 0.21 0.00 0.00 0.00 174.94 174.96 3gxt s ASN 355 N -2.68 3.96 0.02 3.58 2.47 -1.13 -1.18 114.94 119.99 3gxt s ASN 355 Ca 0.42 -1.25 0.23 0.00 0.42 0.00 0.00 52.86 52.68 3gxt s ASN 355 Cb -0.12 -1.23 0.09 0.00 -1.45 0.00 0.00 41.25 38.55 3gxt s ASN 355 CO 0.26 -0.24 1.09 0.54 -3.72 0.00 0.00 177.10 175.03 3gxt n ARG 356 N 4.63 0.15 -1.62 0.43 5.12 0.66 -0.18 116.66 125.85 3gxt n ARG 356 Ca -0.12 -0.01 -0.44 0.00 -1.93 0.00 0.00 57.85 55.36 3gxt n ARG 356 Cb 0.44 -1.54 -0.04 0.00 -1.16 0.00 0.00 32.46 30.16 3gxt n ARG 356 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 3gxt n GLN 357 N -1.73 2.27 -3.39 5.56 7.27 -1.20 -4.82 117.38 121.33 3gxt n GLN 357 Ca 0.03 0.74 -0.45 0.00 0.07 0.00 0.00 57.00 57.40 3gxt n GLN 357 Cb 0.39 -3.03 -0.03 0.00 2.41 0.00 0.00 30.24 29.98 3gxt n GLN 357 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3gxt s GLU 358 N 5.37 3.54 0.00 3.69 2.02 -1.26 -4.08 118.70 127.98 3gxt s GLU 358 Ca 0.96 -2.61 0.00 0.00 0.02 0.00 0.00 54.97 53.34 3gxt s GLU 358 Cb -0.45 -4.34 0.00 0.00 0.10 0.00 0.00 34.13 29.44 3gxt s GLU 358 CO 0.41 -1.27 0.00 1.51 0.02 0.00 0.00 175.26 175.93 3gxt n ILE 359 N 3.67 0.00 -4.64 -1.63 3.06 -1.26 -5.13 119.36 113.42 3gxt n ILE 359 Ca 0.15 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.40 3gxt n ILE 359 Cb 0.44 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.62 3gxt n ILE 359 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3gxt n GLY 360 N -0.81 1.86 1.54 4.50 0.00 -1.26 -4.91 105.19 106.10 3gxt n GLY 360 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 3gxt n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxt n GLY 361 N 0.00 3.93 3.56 -0.02 0.00 -1.26 -4.91 105.19 106.49 3gxt n GLY 361 Ca 0.00 -2.28 -0.55 0.00 0.00 0.00 0.00 46.02 43.19 3gxt n GLY 361 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gxt n PRO 362 N -0.53 0.63 -4.37 1.61 -0.02 -1.26 -4.50 135.00 126.56 3gxt n PRO 362 Ca -0.09 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.31 3gxt n PRO 362 Cb 0.27 -1.81 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 3gxt n PRO 362 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gxt s ARG 363 N 0.40 2.36 0.02 -0.52 0.52 -0.13 -4.87 118.95 116.74 3gxt s ARG 363 Ca 0.88 -0.86 -0.19 0.00 -0.52 0.00 0.00 55.73 55.03 3gxt s ARG 363 Cb -1.10 -2.41 -0.06 0.00 0.52 0.00 0.00 34.95 31.90 3gxt s ARG 363 CO 0.52 0.56 0.56 0.45 0.02 0.00 0.00 175.30 177.41 3gxt s SER 364 N -1.78 6.98 -0.01 0.23 0.15 -1.26 -0.69 113.70 117.32 3gxt s SER 364 Ca 0.19 1.17 -0.01 0.00 0.70 0.00 0.00 55.95 58.00 3gxt s SER 364 Cb -0.11 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 61.86 3gxt s SER 364 CO 0.11 0.19 0.03 -0.47 1.20 0.00 0.00 173.24 174.29 3gxt s TYR 365 N -0.59 -0.03 -0.04 3.44 5.04 0.20 -4.97 117.35 120.39 3gxt s TYR 365 Ca 0.29 0.10 -0.04 0.00 -2.44 0.00 0.00 57.07 54.98 3gxt s TYR 365 Cb -0.18 -0.03 0.01 0.00 0.35 0.00 0.00 41.96 42.11 3gxt s TYR 365 CO 0.17 -0.03 0.12 0.95 -1.34 0.00 0.00 175.55 175.42 3gxt s THR 366 N 0.22 -0.00 0.05 4.34 -4.23 -1.26 -1.37 115.64 113.39 3gxt s THR 366 Ca -0.02 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 3gxt s THR 366 Cb -0.03 -0.17 -0.01 0.00 1.34 0.00 0.00 72.50 73.63 3gxt s THR 366 CO -0.01 0.00 0.10 0.27 -0.54 0.00 0.00 174.62 174.45 3gxt s ILE 367 N 0.12 0.15 0.04 2.99 -4.36 -1.10 -4.99 121.20 114.04 3gxt s ILE 367 Ca -0.00 -1.21 -0.30 0.00 -0.26 0.00 0.00 60.65 58.87 3gxt s ILE 367 Cb -0.01 -1.08 -0.06 0.00 1.25 0.00 0.00 42.46 42.56 3gxt s ILE 367 CO -0.00 -0.67 1.27 0.00 0.24 0.00 0.00 174.94 175.78 3gxt s ALA 368 N -3.06 3.48 0.10 2.27 0.00 -1.26 -0.90 121.76 122.39 3gxt s ALA 368 Ca -0.01 0.86 0.27 0.00 0.00 0.00 0.00 51.96 53.08 3gxt s ALA 368 Cb 0.01 -3.50 1.48 0.00 0.00 0.00 0.00 23.12 21.11 3gxt s ALA 368 CO -0.07 -0.62 1.82 -0.39 0.00 0.00 0.00 175.76 176.51 3gxt h VAL 369 N 4.64 0.00 -0.47 0.00 -1.51 -1.64 0.20 116.25 117.47 3gxt h VAL 369 Ca -0.40 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.21 3gxt h VAL 369 Cb 1.20 0.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 3gxt h VAL 369 CO 0.85 0.00 0.45 0.00 -1.23 0.00 0.00 177.57 177.64 3gxt h ALA 370 N 1.87 2.23 -0.02 5.19 0.00 -1.77 -0.75 119.26 126.02 3gxt h ALA 370 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gxt h ALA 370 Cb 0.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gxt h ALA 370 CO 0.00 -0.69 -0.09 0.43 0.00 0.00 0.00 179.25 178.90 3gxt n SER 371 N -3.85 2.30 -4.75 0.00 7.64 0.69 -4.22 113.62 111.44 3gxt n SER 371 Ca 0.09 -1.71 -0.36 0.00 1.01 0.00 0.00 58.87 57.89 3gxt n SER 371 Cb 0.65 0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.86 3gxt n SER 371 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gxt s LEU 372 N -2.11 4.27 -0.75 -3.43 1.02 -0.29 -4.30 118.68 113.09 3gxt s LEU 372 Ca 0.29 0.51 -0.04 0.00 0.02 0.00 0.00 54.13 54.91 3gxt s LEU 372 Cb 0.20 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 44.07 3gxt s LEU 372 CO 0.37 0.15 0.66 0.61 0.02 0.00 0.00 176.35 178.15 3gxt n GLY 373 N 3.17 0.10 3.95 -3.19 0.00 -1.26 -2.02 105.19 105.93 3gxt n GLY 373 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3gxt n GLY 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gxt n LYS 374 N -3.01 0.00 0.00 1.61 5.02 -1.26 -1.20 118.16 119.32 3gxt n LYS 374 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3gxt n LYS 374 Cb 0.54 -4.35 0.00 0.00 -0.02 0.00 0.00 35.03 31.20 3gxt n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gxt n GLY 375 N -2.00 0.76 0.02 0.72 0.00 -0.86 -5.02 105.19 98.81 3gxt n GLY 375 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3gxt n GLY 375 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gxt h VAL 376 N 0.00 0.00 -2.86 1.61 2.07 -1.26 -3.38 116.25 112.43 3gxt h VAL 376 Ca 0.00 -0.43 -0.55 0.00 0.82 0.00 0.00 66.70 66.54 3gxt h VAL 376 Cb 0.00 0.00 0.08 0.00 -1.52 0.00 0.00 31.29 29.85 3gxt h VAL 376 CO 0.00 0.00 0.83 0.00 0.02 0.00 0.00 177.57 178.42 3gxt n ALA 377 N -2.52 2.10 -0.63 1.67 0.00 -1.26 -0.83 120.51 119.04 3gxt n ALA 377 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3gxt n ALA 377 Cb 0.04 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.08 3gxt n ALA 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxt s ASN 379 N -2.27 5.17 0.00 0.00 3.84 -0.01 -2.30 114.94 119.38 3gxt s ASN 379 Ca 0.00 -1.05 0.27 0.00 0.21 0.00 0.00 52.86 52.29 3gxt s ASN 379 Cb 0.00 -1.84 0.95 0.00 -0.55 0.00 0.00 41.25 39.81 3gxt s ASN 379 CO 0.00 -0.28 1.72 -0.81 -2.79 0.00 0.00 177.10 174.94 3gxt n PRO 380 N 4.79 0.11 -3.58 0.43 -0.04 -1.26 -4.90 135.00 130.56 3gxt n PRO 380 Ca -0.13 -0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.23 3gxt n PRO 380 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 3gxt n PRO 380 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gxt s ALA 381 N -2.91 -2.01 0.02 0.55 0.00 -0.97 -1.21 121.76 115.22 3gxt s ALA 381 Ca 0.15 1.49 -0.03 0.00 0.00 0.00 0.00 51.96 53.57 3gxt s ALA 381 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 3gxt s ALA 381 CO 0.59 -0.58 0.04 0.00 0.00 0.00 0.00 175.76 175.81 3gxt s PHE 383 N -2.06 3.20 -0.33 0.00 5.36 0.22 -1.59 117.98 122.78 3gxt s PHE 383 Ca -0.10 -0.16 -0.08 0.00 -0.96 0.00 0.00 56.93 55.64 3gxt s PHE 383 Cb -0.05 -2.39 0.02 0.00 -0.34 0.00 0.00 43.02 40.26 3gxt s PHE 383 CO -0.02 -0.29 0.12 0.42 -1.46 0.00 0.00 175.22 173.98 3gxt s ILE 384 N 1.71 4.05 -0.01 3.12 1.01 -1.24 -1.07 121.20 128.77 3gxt s ILE 384 Ca 0.06 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3gxt s ILE 384 Cb -0.17 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 3gxt s ILE 384 CO 0.09 -0.09 -0.14 0.42 0.00 0.00 0.00 174.94 175.22 3gxt s THR 385 N 1.48 3.06 0.00 2.92 -4.23 -0.68 -1.50 115.64 116.69 3gxt s THR 385 Ca 0.01 -0.90 -0.22 0.00 -1.18 0.00 0.00 61.69 59.41 3gxt s THR 385 Cb -0.18 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 3gxt s THR 385 CO 0.04 0.47 0.64 -1.58 -0.54 0.00 0.00 174.62 173.65 3gxt s GLN 386 N -1.09 4.37 -0.18 3.99 0.74 0.25 -1.11 119.66 126.63 3gxt s GLN 386 Ca 0.14 0.82 0.05 0.00 0.05 0.00 0.00 55.36 56.42 3gxt s GLN 386 Cb -0.11 -3.35 -0.14 0.00 1.10 0.00 0.00 33.01 30.51 3gxt s GLN 386 CO 0.03 0.33 -0.11 1.28 -0.55 0.00 0.00 175.29 176.28 3gxt n LEU 387 N 2.80 2.15 -4.04 3.68 4.32 0.11 0.18 117.00 126.20 3gxt n LEU 387 Ca -0.05 -0.07 -0.11 0.00 -0.02 0.00 0.00 56.01 55.75 3gxt n LEU 387 Cb 0.51 -0.38 -0.11 0.00 -1.62 0.00 0.00 43.42 41.82 3gxt n LEU 387 CO 0.45 0.69 -0.39 -0.76 -1.22 0.00 0.00 177.39 176.16 3gxt s LEU 388 N -5.82 2.27 0.40 2.23 1.02 -1.16 -3.30 118.68 114.33 3gxt s LEU 388 Ca -0.20 -0.58 0.15 0.00 0.02 0.00 0.00 54.13 53.52 3gxt s LEU 388 Cb 0.06 -0.06 0.84 0.00 0.02 0.00 0.00 46.19 47.06 3gxt s LEU 388 CO 0.48 -0.27 1.88 1.55 0.02 0.00 0.00 176.35 180.01 3gxt h PRO 389 N 4.41 0.00 -5.80 1.29 0.13 -1.90 0.32 132.00 130.45 3gxt h PRO 389 Ca -0.34 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.29 3gxt h PRO 389 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 3gxt h PRO 389 CO 0.43 0.31 -0.77 0.14 -0.23 0.00 0.00 178.00 177.88 3gxt s VAL 390 N -4.24 1.69 -0.33 1.56 -7.23 -1.26 -5.12 120.40 105.48 3gxt s VAL 390 Ca -0.03 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 57.97 3gxt s VAL 390 Cb 0.14 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.32 3gxt s VAL 390 CO 0.70 -0.35 1.15 -0.75 -0.31 0.00 0.00 175.10 175.54 3gxt s LYS 391 N -2.80 3.99 -0.24 4.82 2.47 -1.21 -4.06 119.74 122.72 3gxt s LYS 391 Ca 0.14 1.08 -0.06 0.00 -1.56 0.00 0.00 55.97 55.57 3gxt s LYS 391 Cb -0.05 -3.79 0.12 0.00 -1.46 0.00 0.00 37.83 32.64 3gxt s LYS 391 CO 0.06 -1.01 0.48 0.50 0.16 0.00 0.00 175.35 175.54 3gxt s ARG 392 N 3.87 0.41 0.31 4.03 3.52 0.13 -4.98 118.95 126.24 3gxt s ARG 392 Ca 0.49 1.06 -0.30 0.00 -0.13 0.00 0.00 55.73 56.85 3gxt s ARG 392 Cb -0.13 0.36 -0.12 0.00 -1.56 0.00 0.00 34.95 33.50 3gxt s ARG 392 CO 0.19 -0.33 1.57 1.63 -0.81 0.00 0.00 175.30 177.55 3gxt n LYS 393 N 5.40 2.69 -4.41 5.12 5.02 -1.26 0.85 118.16 131.57 3gxt n LYS 393 Ca -0.08 0.95 -0.26 0.00 -2.02 0.00 0.00 58.31 56.91 3gxt n LYS 393 Cb 0.50 -2.72 -0.11 0.00 -0.02 0.00 0.00 35.03 32.68 3gxt n LYS 393 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxt s LEU 394 N -0.82 2.61 0.00 -0.35 1.43 -0.56 -4.84 118.68 116.15 3gxt s LEU 394 Ca 0.62 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3gxt s LEU 394 Cb -0.49 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3gxt s LEU 394 CO 0.52 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.79 3gxt n GLY 395 N -0.15 -2.18 3.95 -3.19 0.00 -1.26 -4.25 105.19 98.11 3gxt n GLY 395 Ca -0.09 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 3gxt n GLY 395 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxt s PHE 396 N 0.00 2.48 -0.36 1.61 0.08 -1.26 -3.67 117.98 116.85 3gxt s PHE 396 Ca 0.00 0.16 0.05 0.00 0.12 0.00 0.00 56.93 57.25 3gxt s PHE 396 Cb 0.00 -3.13 0.17 0.00 -0.57 0.00 0.00 43.02 39.49 3gxt s PHE 396 CO 0.00 -1.46 0.48 0.71 -0.10 0.00 0.00 175.22 174.84 3gxt s TYR 397 N -3.16 -0.99 0.64 0.36 1.51 -0.62 -4.94 117.35 110.15 3gxt s TYR 397 Ca 0.62 -0.14 -0.17 0.00 -1.01 0.00 0.00 57.07 56.37 3gxt s TYR 397 Cb -0.09 -0.09 -0.11 0.00 -0.11 0.00 0.00 41.96 41.57 3gxt s TYR 397 CO 0.44 -1.05 0.08 0.39 -1.11 0.00 0.00 175.55 174.30 3gxt n GLU 398 N 4.60 0.17 -0.20 -0.62 4.71 -1.26 -1.72 120.64 126.32 3gxt n GLU 398 Ca 0.09 0.07 -0.03 0.00 -0.01 0.00 0.00 57.16 57.28 3gxt n GLU 398 Cb 0.50 -1.35 0.03 0.00 -1.01 0.00 0.00 31.44 29.61 3gxt n GLU 398 CO 0.00 0.00 0.00 2.35 0.09 0.00 0.00 177.13 179.57 3gxt h TRP 399 N -0.20 -0.67 0.00 -0.32 7.01 -0.97 -2.18 115.95 118.62 3gxt h TRP 399 Ca -0.43 0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.63 3gxt h TRP 399 Cb 1.39 0.38 0.00 0.00 -2.10 0.00 0.00 29.16 28.84 3gxt h TRP 399 CO 0.27 -0.34 0.03 1.79 -2.79 0.00 0.00 178.44 177.41 3gxt h THR 400 N -0.11 0.00 -3.21 2.65 1.35 -1.87 -3.33 112.91 108.39 3gxt h THR 400 Ca 0.26 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.64 3gxt h THR 400 Cb 0.52 0.49 0.02 0.00 -1.73 0.00 0.00 68.15 67.45 3gxt h THR 400 CO -0.66 0.00 -0.03 -0.94 -0.25 0.00 0.00 175.52 173.64 3gxt s SER 401 N -4.03 6.28 0.01 5.36 1.04 -0.82 -4.94 113.70 116.59 3gxt s SER 401 Ca -0.02 0.71 0.03 0.00 0.48 0.00 0.00 55.95 57.14 3gxt s SER 401 Cb 0.06 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 3gxt s SER 401 CO 0.20 -0.45 -0.05 -0.13 0.98 0.00 0.00 173.24 173.80 3gxt s ARG 402 N -4.54 2.59 -0.32 4.02 0.52 -1.26 -1.99 118.95 117.97 3gxt s ARG 402 Ca 0.44 -0.71 -0.12 0.00 -0.52 0.00 0.00 55.73 54.82 3gxt s ARG 402 Cb -0.10 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 3gxt s ARG 402 CO 0.41 0.60 0.20 -1.17 0.02 0.00 0.00 175.30 175.36 3gxt s LEU 403 N -1.53 4.29 0.36 2.53 2.96 -0.08 -4.91 118.68 122.30 3gxt s LEU 403 Ca 0.18 -0.37 -0.23 0.00 -0.22 0.00 0.00 54.13 53.50 3gxt s LEU 403 Cb -0.11 -2.09 -0.10 0.00 0.50 0.00 0.00 46.19 44.38 3gxt s LEU 403 CO 0.09 -0.19 0.91 -0.60 -1.32 0.00 0.00 176.35 175.25 3gxt s ARG 404 N 1.70 4.37 -0.14 1.98 6.06 -1.26 -2.73 118.95 128.93 3gxt s ARG 404 Ca 0.06 1.15 -0.29 0.00 -2.50 0.00 0.00 55.73 54.15 3gxt s ARG 404 Cb -0.17 -2.52 0.10 0.00 0.06 0.00 0.00 34.95 32.42 3gxt s ARG 404 CO 0.09 0.15 0.84 0.45 -2.50 0.00 0.00 175.30 174.34 3gxt s SER 405 N -1.90 -0.53 -0.39 -2.12 0.15 -0.47 -4.98 113.70 103.45 3gxt s SER 405 Ca 0.55 0.69 -0.08 0.00 0.70 0.00 0.00 55.95 57.80 3gxt s SER 405 Cb -0.14 0.58 0.06 0.00 -1.71 0.00 0.00 66.02 64.81 3gxt s SER 405 CO 0.19 -0.42 0.20 -1.00 1.20 0.00 0.00 173.24 173.41 3gxt s HIS 406 N -0.85 3.32 -0.10 3.44 3.76 -1.26 0.58 115.29 124.19 3gxt s HIS 406 Ca -0.05 -1.51 -0.03 0.00 -0.15 0.00 0.00 55.06 53.32 3gxt s HIS 406 Cb -0.01 -2.72 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 3gxt s HIS 406 CO 0.04 -0.80 0.04 0.42 -0.85 0.00 0.00 174.74 173.59 3gxt s ILE 407 N 1.41 4.67 0.30 0.60 1.09 0.13 -4.82 121.20 124.57 3gxt s ILE 407 Ca 0.02 -0.11 -0.28 0.00 -1.10 0.00 0.00 60.65 59.18 3gxt s ILE 407 Cb -0.22 -2.99 -0.09 0.00 -1.06 0.00 0.00 42.46 38.10 3gxt s ILE 407 CO 0.02 0.61 0.98 0.20 -0.10 0.00 0.00 174.94 176.65 3gxt s ASN 408 N -0.93 7.34 -0.19 3.58 0.01 -1.26 -0.95 114.94 122.53 3gxt s ASN 408 Ca 0.14 1.97 -0.35 0.00 -0.71 0.00 0.00 52.86 53.91 3gxt s ASN 408 Cb -0.12 -2.60 -0.12 0.00 0.41 0.00 0.00 41.25 38.83 3gxt s ASN 408 CO 0.03 -0.07 1.93 -2.65 -1.51 0.00 0.00 177.10 174.83 3gxt n PRO 409 N 0.86 1.72 0.00 -0.60 -0.02 -1.26 -0.86 135.00 134.84 3gxt n PRO 409 Ca 0.01 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3gxt n PRO 409 Cb 0.48 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3gxt n PRO 409 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gxt n THR 410 N 5.57 0.00 -1.07 3.45 -2.24 0.75 -4.89 114.28 115.84 3gxt n THR 410 Ca 0.28 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.89 3gxt n THR 410 Cb 0.25 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.61 3gxt n THR 410 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxt n GLY 411 N -1.92 -2.16 3.11 3.38 0.00 -0.04 -4.16 105.19 103.40 3gxt n GLY 411 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 3gxt n GLY 411 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxt s THR 412 N -2.32 0.01 -0.16 2.61 2.01 -1.26 -2.82 115.64 113.71 3gxt s THR 412 Ca 0.41 -0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.29 3gxt s THR 412 Cb -0.03 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 3gxt s THR 412 CO 0.30 -0.03 0.08 -0.69 -0.69 0.00 0.00 174.62 173.59 3gxt s VAL 413 N -0.01 4.94 -0.21 3.82 1.01 -0.37 -3.82 120.40 125.77 3gxt s VAL 413 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3gxt s VAL 413 Cb -0.02 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.21 3gxt s VAL 413 CO 0.00 0.51 -0.09 -0.22 0.00 0.00 0.00 175.10 175.30 3gxt s LEU 414 N -0.09 2.36 0.04 3.92 2.96 0.10 -1.37 118.68 126.60 3gxt s LEU 414 Ca 0.07 -0.95 0.02 0.00 -0.22 0.00 0.00 54.13 53.05 3gxt s LEU 414 Cb -0.12 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 3gxt s LEU 414 CO 0.01 -0.16 0.07 -0.76 -1.32 0.00 0.00 176.35 174.18 3gxt s LEU 415 N 1.39 3.78 -0.13 -0.68 1.43 0.92 0.07 118.68 125.47 3gxt s LEU 415 Ca -0.02 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3gxt s LEU 415 Cb -0.17 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 3gxt s LEU 415 CO -0.08 0.22 -0.15 -1.58 0.23 0.00 0.00 176.35 174.99 3gxt s GLN 416 N -2.05 3.31 -0.17 1.70 0.74 -0.26 -1.00 119.66 121.92 3gxt s GLN 416 Ca 0.26 -0.73 -0.03 0.00 0.05 0.00 0.00 55.36 54.91 3gxt s GLN 416 Cb -0.12 -2.57 -0.02 0.00 1.10 0.00 0.00 33.01 31.40 3gxt s GLN 416 CO 0.18 0.19 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.54 3gxt s LEU 417 N 0.38 3.02 0.12 3.68 1.02 -0.17 -1.69 118.68 125.05 3gxt s LEU 417 Ca -0.12 -0.26 0.09 0.00 0.02 0.00 0.00 54.13 53.87 3gxt s LEU 417 Cb -0.16 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 3gxt s LEU 417 CO 0.06 0.10 -0.20 -1.61 0.02 0.00 0.00 176.35 174.72 3gxt s GLU 418 N 0.74 1.70 0.38 1.70 0.41 -0.23 -1.74 118.70 121.66 3gxt s GLU 418 Ca -0.03 -1.22 -0.10 0.00 -0.41 0.00 0.00 54.97 53.22 3gxt s GLU 418 Cb -0.15 -2.07 -0.06 0.00 -1.78 0.00 0.00 34.13 30.07 3gxt s GLU 418 CO 0.02 0.47 0.73 1.21 -0.49 0.00 0.00 175.26 177.21 3gxt s ASN 419 N -2.13 6.52 0.00 -0.19 3.04 -1.26 -0.61 114.94 120.31 3gxt s ASN 419 Ca 0.17 1.07 0.00 0.00 0.04 0.00 0.00 52.86 54.14 3gxt s ASN 419 Cb -0.10 -2.30 0.00 0.00 -1.54 0.00 0.00 41.25 37.31 3gxt s ASN 419 CO 0.09 -0.36 0.00 1.07 -3.04 0.00 0.00 177.10 174.86 3gxt n THR 420 N -1.20 0.00 0.00 -5.21 5.66 -1.23 -4.78 114.28 107.51 3gxt n THR 420 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 3gxt n THR 420 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 3gxt n THR 420 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 3gxt n MET 421 N 0.00 0.00 0.00 1.09 1.56 -1.26 -3.74 117.12 114.77 3gxt n MET 421 Ca 0.00 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.52 3gxt n MET 421 Cb 0.00 0.00 0.53 0.00 2.15 0.00 0.00 33.22 35.90 3gxt n MET 421 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18