#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bmx h SER 27 N 0.00 0.50 -0.56 0.00 4.64 -2.05 -1.36 113.55 114.71 3bmx h SER 27 Ca 0.00 -0.26 -0.09 0.00 -0.47 0.00 0.00 61.79 60.97 3bmx h SER 27 Cb 0.00 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3bmx h SER 27 CO 0.00 0.95 0.01 0.00 -0.87 0.00 0.00 176.83 176.91 3bmx h ALA 28 N 1.06 0.76 -0.40 5.18 0.00 -2.05 -0.90 119.26 122.92 3bmx h ALA 28 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3bmx h ALA 28 Cb 1.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3bmx h ALA 28 CO 0.10 0.58 0.08 0.77 0.00 0.00 0.00 179.25 180.78 3bmx h SER 29 N 0.88 0.62 -0.74 0.00 0.02 -1.98 -2.12 113.55 110.22 3bmx h SER 29 Ca 0.16 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 3bmx h SER 29 Cb 0.53 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3bmx h SER 29 CO 0.03 0.71 0.33 0.50 -1.14 0.00 0.00 176.83 177.26 3bmx h LYS 30 N 0.50 1.09 -0.72 3.45 3.64 -1.18 -2.34 116.57 121.01 3bmx h LYS 30 Ca 0.12 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3bmx h LYS 30 Cb 0.34 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3bmx h LYS 30 CO 0.01 0.86 0.44 -0.09 -2.27 0.00 0.00 179.45 178.40 3bmx h ARG 31 N 1.05 0.97 -0.56 1.90 2.43 -0.93 0.90 114.38 120.14 3bmx h ARG 31 Ca 0.25 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 3bmx h ARG 31 Cb 0.16 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3bmx h ARG 31 CO -0.03 0.67 0.15 0.00 -1.51 0.00 0.00 179.97 179.26 3bmx h ALA 32 N 1.24 0.74 -0.38 2.80 0.00 -1.20 -0.92 119.26 121.54 3bmx h ALA 32 Ca 0.26 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3bmx h ALA 32 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3bmx h ALA 32 CO -0.05 0.43 -0.04 0.82 0.00 0.00 0.00 179.25 180.41 3bmx h ILE 33 N 0.80 1.27 -0.44 0.00 2.04 -1.00 -1.89 117.51 118.28 3bmx h ILE 33 Ca 0.18 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3bmx h ILE 33 Cb 0.32 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3bmx h ILE 33 CO -0.00 0.36 0.24 0.44 0.00 0.00 0.00 178.15 179.19 3bmx h ASP 34 N 0.50 0.56 -0.66 1.72 3.32 -0.66 -0.38 116.42 120.83 3bmx h ASP 34 Ca 0.10 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3bmx h ASP 34 Cb 0.53 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3bmx h ASP 34 CO 0.03 0.49 0.42 0.00 -1.72 0.00 0.00 179.24 178.46 3bmx h ALA 35 N 1.09 0.83 -0.73 3.45 0.00 -1.11 -1.07 119.26 121.73 3bmx h ALA 35 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3bmx h ALA 35 Cb 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3bmx h ALA 35 CO -0.02 0.28 0.48 -0.97 0.00 0.00 0.00 179.25 179.01 3bmx h ASN 36 N 0.89 0.84 -0.46 0.00 -0.73 -0.82 -1.06 115.58 114.25 3bmx h ASN 36 Ca 0.24 -0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.27 3bmx h ASN 36 Cb -0.07 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.29 3bmx h ASN 36 CO -0.05 0.61 -0.13 1.56 -0.37 0.00 0.00 177.43 179.06 3bmx h GLN 37 N 0.99 0.94 -0.17 6.67 1.08 -0.54 -0.84 115.11 123.24 3bmx h GLN 37 Ca 0.27 -0.34 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 3bmx h GLN 37 Cb -0.11 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 3bmx h GLN 37 CO -0.06 1.00 0.01 0.82 -0.95 0.00 0.00 178.83 179.65 3bmx h ILE 38 N 0.83 1.25 -0.14 2.54 2.04 -1.02 -3.05 117.51 119.96 3bmx h ILE 38 Ca 0.13 -0.82 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 3bmx h ILE 38 Cb 0.67 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3bmx h ILE 38 CO 0.05 0.24 -0.32 0.58 0.00 0.00 0.00 178.15 178.70 3bmx h VAL 39 N 0.04 1.27 0.00 1.67 2.07 -1.06 -2.36 116.25 117.89 3bmx h VAL 39 Ca 0.05 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3bmx h VAL 39 Cb 0.36 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3bmx h VAL 39 CO 0.01 0.40 -0.04 0.78 0.02 0.00 0.00 177.57 178.74 3bmx h ASN 40 N 0.24 0.00 0.11 0.57 2.35 -1.04 -1.57 115.58 116.25 3bmx h ASN 40 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3bmx h ASN 40 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3bmx h ASN 40 CO 0.05 0.04 -0.12 0.54 -1.65 0.00 0.00 177.43 176.29 3bmx n ARG 41 N -3.91 1.25 -3.27 0.81 1.74 -0.89 -4.94 116.66 107.46 3bmx n ARG 41 Ca -0.03 -0.71 -0.35 0.00 -0.77 0.00 0.00 57.85 56.00 3bmx n ARG 41 Cb 0.12 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 3bmx n ARG 41 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3bmx s MET 42 N -2.24 4.03 0.80 5.56 -1.94 -0.59 -5.08 119.30 119.84 3bmx s MET 42 Ca 0.32 0.58 -0.11 0.00 -1.71 0.00 0.00 55.69 54.77 3bmx s MET 42 Cb 0.20 -2.81 0.07 0.00 2.01 0.00 0.00 34.83 34.31 3bmx s MET 42 CO 0.42 0.39 1.09 -1.54 -0.01 0.00 0.00 175.02 175.37 3bmx s SER 43 N -1.87 4.37 0.22 3.03 1.04 -1.26 -4.87 113.70 114.36 3bmx s SER 43 Ca 0.43 1.47 -0.09 0.00 0.48 0.00 0.00 55.95 58.23 3bmx s SER 43 Cb -0.14 -2.21 0.17 0.00 0.10 0.00 0.00 66.02 63.95 3bmx s SER 43 CO 0.20 -2.07 1.86 0.25 0.98 0.00 0.00 173.24 174.46 3bmx h LEU 44 N -1.15 0.97 -0.69 2.42 5.85 -1.98 -0.91 115.31 119.81 3bmx h LEU 44 Ca -0.47 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.27 3bmx h LEU 44 Cb 1.26 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 3bmx h LEU 44 CO 0.57 0.74 0.36 0.44 -0.34 0.00 0.00 178.44 180.21 3bmx h ASP 45 N 1.10 0.50 -0.59 1.25 3.32 -1.99 0.28 116.42 120.30 3bmx h ASP 45 Ca 0.29 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.29 3bmx h ASP 45 Cb -0.05 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3bmx h ASP 45 CO -0.06 0.31 0.01 -0.33 -1.72 0.00 0.00 179.24 177.45 3bmx h GLU 46 N 0.64 1.04 -0.22 3.56 5.08 -1.76 -1.32 114.58 121.60 3bmx h GLU 46 Ca 0.33 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3bmx h GLU 46 Cb 0.29 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3bmx h GLU 46 CO -0.23 1.01 -0.01 0.87 -1.00 0.00 0.00 179.01 179.65 3bmx h LYS 47 N 0.96 0.40 -0.34 2.33 1.57 -0.48 -2.04 116.57 118.97 3bmx h LYS 47 Ca 0.17 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3bmx h LYS 47 Cb 0.53 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3bmx h LYS 47 CO 0.03 0.59 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.36 3bmx h LEU 48 N 0.16 0.54 -0.67 2.94 3.38 -0.93 -2.21 115.31 118.52 3bmx h LEU 48 Ca 0.06 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3bmx h LEU 48 Cb 0.42 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3bmx h LEU 48 CO 0.01 0.66 0.40 1.23 0.09 0.00 0.00 178.44 180.83 3bmx h GLY 49 N 0.91 0.98 1.53 0.83 0.00 -1.00 -1.93 103.07 104.39 3bmx h GLY 49 Ca 0.10 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.21 3bmx h GLY 49 CO 0.02 0.21 0.18 1.46 0.00 0.00 0.00 176.54 178.41 3bmx h GLN 50 N 0.75 0.06 -0.05 4.80 1.08 -0.73 -0.52 115.11 120.50 3bmx h GLN 50 Ca 0.29 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 3bmx h GLN 50 Cb 0.11 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3bmx h GLN 50 CO -0.15 0.04 0.00 -1.33 -0.95 0.00 0.00 178.83 176.44 3bmx n MET 51 N -4.47 1.28 -4.63 1.46 2.81 -0.73 -3.50 117.12 109.34 3bmx n MET 51 Ca 0.03 -0.42 -0.34 0.00 -1.81 0.00 0.00 57.70 55.17 3bmx n MET 51 Cb 0.29 -1.37 -0.12 0.00 -0.71 0.00 0.00 33.22 31.31 3bmx n MET 51 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3bmx s LEU 52 N -1.67 3.06 -0.48 4.03 1.43 -0.50 -0.51 118.68 124.04 3bmx s LEU 52 Ca 0.33 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3bmx s LEU 52 Cb 0.16 -1.68 0.15 0.00 0.03 0.00 0.00 46.19 44.85 3bmx s LEU 52 CO 0.26 0.28 0.31 -0.32 0.23 0.00 0.00 176.35 177.11 3bmx s MET 53 N -0.33 1.37 0.87 1.70 1.75 -0.40 -2.43 119.30 121.84 3bmx s MET 53 Ca 0.04 -2.24 -0.12 0.00 -1.25 0.00 0.00 55.69 52.13 3bmx s MET 53 Cb -0.13 -2.25 0.11 0.00 2.84 0.00 0.00 34.83 35.41 3bmx s MET 53 CO 0.02 -1.24 1.13 -1.25 -0.65 0.00 0.00 175.02 173.03 3bmx s PRO 54 N -0.01 1.47 0.21 4.11 0.04 -1.24 -0.60 135.00 138.98 3bmx s PRO 54 Ca 0.23 0.39 0.06 0.00 0.04 0.00 0.00 61.00 61.71 3bmx s PRO 54 Cb -0.14 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3bmx s PRO 54 CO -0.08 -1.99 0.19 0.16 0.04 0.00 0.00 177.00 175.33 3bmx s ASP 55 N -4.02 5.66 -0.51 6.66 1.47 -1.26 -1.59 116.67 123.07 3bmx s ASP 55 Ca 0.63 -0.14 0.07 0.00 1.18 0.00 0.00 52.55 54.29 3bmx s ASP 55 Cb -0.14 -1.50 0.27 0.00 -0.34 0.00 0.00 42.92 41.20 3bmx s ASP 55 CO 0.53 0.01 0.68 0.49 0.68 0.00 0.00 175.17 177.56 3bmx n PHE 56 N -0.81 1.85 0.21 2.11 3.01 -1.26 -4.76 117.46 117.81 3bmx n PHE 56 Ca -0.08 -3.88 -0.15 0.00 1.01 0.00 0.00 57.45 54.35 3bmx n PHE 56 Cb 0.56 -0.46 -0.08 0.00 -0.01 0.00 0.00 39.48 39.49 3bmx n PHE 56 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3bmx h ARG 57 N 3.87 -0.48 -6.45 -1.08 2.43 -1.93 -3.41 114.38 107.32 3bmx h ARG 57 Ca 0.13 0.03 -0.62 0.00 -0.81 0.00 0.00 59.98 58.71 3bmx h ARG 57 Cb 0.76 0.11 -0.18 0.00 -0.42 0.00 0.00 29.97 30.23 3bmx h ARG 57 CO 0.66 -0.27 -0.81 -0.80 -1.51 0.00 0.00 179.97 177.24 3bmx s ASN 58 N -4.82 3.26 -0.09 -3.80 0.01 -1.26 -1.50 114.94 106.75 3bmx s ASN 58 Ca -0.15 -0.87 -0.11 0.00 -0.71 0.00 0.00 52.86 51.02 3bmx s ASN 58 Cb 0.04 -0.23 0.03 0.00 0.41 0.00 0.00 41.25 41.49 3bmx s ASN 58 CO 0.62 0.09 0.29 0.86 -1.51 0.00 0.00 177.10 177.44 3bmx s TRP 59 N -1.76 -0.27 -0.35 2.20 -0.11 0.82 -4.67 118.94 114.80 3bmx s TRP 59 Ca 0.20 0.63 -0.01 0.00 1.22 0.00 0.00 56.10 58.14 3bmx s TRP 59 Cb -0.07 0.10 0.09 0.00 -1.50 0.00 0.00 33.47 32.08 3bmx s TRP 59 CO 0.09 -0.21 0.10 -1.14 -4.62 0.00 0.00 176.95 171.17 3bmx s GLN 60 N -0.24 2.07 0.80 5.86 0.74 0.11 -1.09 119.66 127.92 3bmx s GLN 60 Ca -0.04 -1.62 -0.11 0.00 0.05 0.00 0.00 55.36 53.65 3bmx s GLN 60 Cb -0.03 -3.36 0.07 0.00 1.10 0.00 0.00 33.01 30.79 3bmx s GLN 60 CO 0.01 -0.87 1.09 0.15 -0.55 0.00 0.00 175.29 175.12 3bmx s LYS 61 N 1.14 2.04 0.03 1.67 1.02 -1.26 -4.53 119.74 119.84 3bmx s LYS 61 Ca 0.03 1.02 -0.37 0.00 0.02 0.00 0.00 55.97 56.67 3bmx s LYS 61 Cb -0.21 -1.88 -0.16 0.00 -0.52 0.00 0.00 37.83 35.05 3bmx s LYS 61 CO -0.04 -1.75 1.43 -1.91 -0.92 0.00 0.00 175.35 172.16 3bmx n GLU 62 N -3.58 1.23 0.00 1.68 4.07 -1.26 -1.28 120.64 121.50 3bmx n GLU 62 Ca 0.08 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 3bmx n GLU 62 Cb 0.54 -2.10 0.00 0.00 -0.06 0.00 0.00 31.44 29.81 3bmx n GLU 62 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3bmx n GLY 63 N 2.88 2.59 3.93 8.31 0.00 -1.26 -5.06 105.19 116.58 3bmx n GLY 63 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3bmx n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bmx s GLU 64 N -0.79 3.52 -0.01 1.61 2.02 -0.40 -5.04 118.70 119.60 3bmx s GLU 64 Ca 0.00 -0.17 0.17 0.00 0.02 0.00 0.00 54.97 54.99 3bmx s GLU 64 Cb 0.00 -2.60 -0.23 0.00 0.10 0.00 0.00 34.13 31.40 3bmx s GLU 64 CO 0.00 0.08 0.52 -1.13 0.02 0.00 0.00 175.26 174.75 3bmx n SER 65 N -1.77 0.94 -3.63 -0.19 3.41 -1.26 -4.82 113.62 106.30 3bmx n SER 65 Ca -0.03 -0.37 -0.11 0.00 -0.26 0.00 0.00 58.87 58.09 3bmx n SER 65 Cb 0.56 1.46 -0.05 0.00 -0.26 0.00 0.00 64.21 65.92 3bmx n SER 65 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3bmx s SER 66 N -3.41 -0.27 0.30 4.04 1.04 -1.26 -5.14 113.70 109.00 3bmx s SER 66 Ca -0.01 -0.19 -0.29 0.00 0.48 0.00 0.00 55.95 55.93 3bmx s SER 66 Cb 0.12 0.47 -0.10 0.00 0.10 0.00 0.00 66.02 66.61 3bmx s SER 66 CO 0.71 -0.80 1.24 -2.84 0.98 0.00 0.00 173.24 172.53 3bmx s PRO 67 N -3.39 4.45 0.22 4.02 0.02 -1.26 -4.54 135.00 134.53 3bmx s PRO 67 Ca 0.00 2.07 0.12 0.00 0.02 0.00 0.00 61.00 63.21 3bmx s PRO 67 Cb 0.01 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 3bmx s PRO 67 CO -0.09 -0.07 -0.22 -0.65 -0.33 0.00 0.00 177.00 175.64 3bmx s GLN 68 N -1.49 1.57 0.06 5.54 -1.52 -0.25 -4.73 119.66 118.83 3bmx s GLN 68 Ca 0.48 -1.61 -0.37 0.00 -1.95 0.00 0.00 55.36 51.92 3bmx s GLN 68 Cb -0.37 -1.80 -0.16 0.00 -0.22 0.00 0.00 33.01 30.45 3bmx s GLN 68 CO 0.48 0.37 1.41 0.00 -0.25 0.00 0.00 175.29 177.30 3bmx n ALA 69 N -0.05 -0.61 -2.83 6.09 0.00 -1.26 -0.12 120.51 121.72 3bmx n ALA 69 Ca -0.10 0.49 -0.43 0.00 0.00 0.00 0.00 53.44 53.41 3bmx n ALA 69 Cb 0.57 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 3bmx n ALA 69 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3bmx s LEU 70 N 0.87 4.42 -0.01 0.00 2.96 -0.56 -4.79 118.68 121.58 3bmx s LEU 70 Ca 0.85 -1.26 0.19 0.00 -0.22 0.00 0.00 54.13 53.69 3bmx s LEU 70 Cb -0.93 -2.43 -0.24 0.00 0.50 0.00 0.00 46.19 43.09 3bmx s LEU 70 CO 0.48 -1.37 0.68 0.35 -1.32 0.00 0.00 176.35 175.16 3bmx n THR 71 N 5.91 0.00 -4.10 3.68 -2.24 -1.26 -4.18 114.28 112.10 3bmx n THR 71 Ca 0.06 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 3bmx n THR 71 Cb 0.47 0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 69.25 3bmx n THR 71 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3bmx s LYS 72 N -2.96 0.39 0.63 -0.78 2.20 -1.26 -4.72 119.74 113.24 3bmx s LYS 72 Ca 0.03 -0.13 -0.18 0.00 -0.36 0.00 0.00 55.97 55.33 3bmx s LYS 72 Cb 0.14 -0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 3bmx s LYS 72 CO 0.78 0.06 1.25 1.41 -0.36 0.00 0.00 175.35 178.49 3bmx s MET 73 N 0.11 2.71 0.21 4.03 -2.45 -1.26 -5.05 119.30 117.59 3bmx s MET 73 Ca -0.01 1.93 0.01 0.00 -1.25 0.00 0.00 55.69 56.37 3bmx s MET 73 Cb -0.04 -1.88 -0.05 0.00 1.25 0.00 0.00 34.83 34.11 3bmx s MET 73 CO -0.00 -1.44 0.07 0.54 1.05 0.00 0.00 175.02 175.23 3bmx s ASN 74 N -1.54 0.94 0.40 1.11 2.20 -1.26 -5.04 114.94 111.74 3bmx s ASN 74 Ca 0.80 -1.30 0.28 0.00 -0.94 0.00 0.00 52.86 51.69 3bmx s ASN 74 Cb -0.34 0.20 1.00 0.00 -2.00 0.00 0.00 41.25 40.11 3bmx s ASN 74 CO 0.37 -0.70 1.81 0.44 -2.94 0.00 0.00 177.10 176.09 3bmx h ASP 75 N 2.57 0.00 0.22 3.54 3.32 -1.97 -1.72 116.42 122.37 3bmx h ASP 75 Ca -0.37 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3bmx h ASP 75 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3bmx h ASP 75 CO 0.60 0.00 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.69 3bmx h GLU 76 N 0.00 -0.28 -0.77 3.56 5.08 -1.99 -0.60 114.58 119.58 3bmx h GLU 76 Ca 0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3bmx h GLU 76 Cb 0.58 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 3bmx h GLU 76 CO 0.00 0.11 0.48 0.28 -1.00 0.00 0.00 179.01 178.87 3bmx h VAL 77 N -0.84 1.21 -0.73 3.13 2.07 -1.97 -2.28 116.25 116.84 3bmx h VAL 77 Ca -0.03 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3bmx h VAL 77 Cb 0.51 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3bmx h VAL 77 CO 0.05 0.22 0.46 0.00 0.02 0.00 0.00 177.57 178.32 3bmx h ALA 78 N 1.26 1.44 -0.05 1.67 0.00 -1.33 -1.13 119.26 121.12 3bmx h ALA 78 Ca 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3bmx h ALA 78 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3bmx h ALA 78 CO -0.05 0.50 -0.12 0.66 0.00 0.00 0.00 179.25 180.24 3bmx h SER 79 N 0.99 0.07 0.27 0.00 4.64 -0.52 -0.93 113.55 118.08 3bmx h SER 79 Ca 0.26 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.30 3bmx h SER 79 Cb -0.08 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3bmx h SER 79 CO -0.05 0.20 -1.16 -0.07 -0.87 0.00 0.00 176.83 174.88 3bmx h LEU 80 N 0.08 0.71 -0.55 5.97 3.38 -1.02 -0.46 115.31 123.41 3bmx h LEU 80 Ca 0.02 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.37 3bmx h LEU 80 Cb 0.26 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3bmx h LEU 80 CO 0.02 1.46 0.34 0.58 0.09 0.00 0.00 178.44 180.93 3bmx h VAL 81 N 0.23 1.08 -0.62 1.22 2.07 -1.04 -0.65 116.25 118.54 3bmx h VAL 81 Ca -0.15 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 3bmx h VAL 81 Cb 1.83 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3bmx h VAL 81 CO 0.21 0.12 0.16 0.11 0.02 0.00 0.00 177.57 178.20 3bmx h LYS 82 N 0.68 0.99 -0.10 1.57 1.57 -1.09 0.83 116.57 121.02 3bmx h LYS 82 Ca 0.22 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3bmx h LYS 82 Cb 0.00 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3bmx h LYS 82 CO -0.09 0.90 -0.16 -0.22 -0.57 0.00 0.00 179.45 179.32 3bmx h LYS 83 N 0.91 0.28 0.00 3.15 3.64 -0.80 -3.35 116.57 120.40 3bmx h LYS 83 Ca 0.20 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3bmx h LYS 83 Cb 0.34 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3bmx h LYS 83 CO 0.00 0.74 -1.50 0.66 -2.27 0.00 0.00 179.45 177.08 3bmx n TYR 84 N -4.58 0.31 -3.56 1.91 4.01 -0.27 -5.00 117.16 109.97 3bmx n TYR 84 Ca -0.07 0.09 -0.21 0.00 -0.16 0.00 0.00 57.90 57.55 3bmx n TYR 84 Cb 0.38 -0.58 0.05 0.00 -0.31 0.00 0.00 39.34 38.88 3bmx n TYR 84 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3bmx n GLN 85 N -2.27 -3.87 -1.53 -0.72 6.02 0.28 -4.35 117.38 110.94 3bmx n GLN 85 Ca -0.01 0.68 -0.36 0.00 -0.01 0.00 0.00 57.00 57.29 3bmx n GLN 85 Cb 0.53 -5.22 0.08 0.00 1.02 0.00 0.00 30.24 26.64 3bmx n GLN 85 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3bmx n PHE 86 N -4.00 1.31 0.19 1.08 3.72 -1.26 -3.43 117.46 115.07 3bmx n PHE 86 Ca -0.21 0.41 0.07 0.00 -0.05 0.00 0.00 57.45 57.67 3bmx n PHE 86 Cb 0.65 -2.17 0.29 0.00 -0.94 0.00 0.00 39.48 37.30 3bmx n PHE 86 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3bmx h GLY 87 N 0.11 0.00 -2.07 1.37 0.00 -0.79 -3.44 103.07 98.25 3bmx h GLY 87 Ca -0.49 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.07 3bmx h GLY 87 CO 0.50 0.00 0.66 -0.32 0.00 0.00 0.00 176.54 177.38 3bmx s GLY 88 N -4.35 -0.13 -0.02 4.60 0.00 -1.22 -1.39 107.32 104.81 3bmx s GLY 88 Ca 0.02 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.82 3bmx s GLY 88 CO 0.68 1.69 -0.03 -0.42 0.00 0.00 0.00 173.10 175.02 3bmx s ILE 89 N -2.51 0.33 -0.06 0.90 -1.09 -0.04 -3.67 121.20 115.06 3bmx s ILE 89 Ca 0.19 -0.08 -0.17 0.00 -2.23 0.00 0.00 60.65 58.36 3bmx s ILE 89 Cb -0.00 -0.35 -0.05 0.00 -1.58 0.00 0.00 42.46 40.48 3bmx s ILE 89 CO 0.02 0.14 0.45 -0.51 -1.23 0.00 0.00 174.94 173.81 3bmx s ILE 90 N 0.52 5.09 -0.04 2.92 2.07 -0.62 -1.26 121.20 129.88 3bmx s ILE 90 Ca -0.06 0.91 -0.03 0.00 -1.41 0.00 0.00 60.65 60.07 3bmx s ILE 90 Cb -0.09 -3.77 -0.04 0.00 0.13 0.00 0.00 42.46 38.69 3bmx s ILE 90 CO -0.01 0.45 0.12 -0.76 -1.91 0.00 0.00 174.94 172.83 3bmx s LEU 91 N -0.19 4.11 0.51 8.50 1.43 0.16 -4.26 118.68 128.93 3bmx s LEU 91 Ca 0.25 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 3bmx s LEU 91 Cb -0.16 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 3bmx s LEU 91 CO 0.12 0.31 0.07 -0.36 0.23 0.00 0.00 176.35 176.72 3bmx s PHE 92 N -1.17 1.87 0.41 0.29 0.40 -1.26 -4.47 117.98 114.06 3bmx s PHE 92 Ca 0.21 -0.92 0.08 0.00 -0.60 0.00 0.00 56.93 55.71 3bmx s PHE 92 Cb -0.12 -1.68 0.86 0.00 0.51 0.00 0.00 43.02 42.60 3bmx s PHE 92 CO 0.12 0.13 2.04 0.00 0.70 0.00 0.00 175.22 178.20 3bmx h ALA 93 N 1.27 1.74 -0.65 5.36 0.00 -1.91 0.20 119.26 125.28 3bmx h ALA 93 Ca -0.43 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 54.63 3bmx h ALA 93 Cb 1.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3bmx h ALA 93 CO 0.72 0.21 0.46 0.93 0.00 0.00 0.00 179.25 181.57 3bmx h GLU 94 N 0.57 0.08 -0.01 0.00 3.07 -1.89 -2.55 114.58 113.85 3bmx h GLU 94 Ca 0.19 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3bmx h GLU 94 Cb 0.05 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3bmx h GLU 94 CO -0.05 0.05 -0.56 0.09 -1.40 0.00 0.00 179.01 177.15 3bmx n ASN 95 N -4.38 1.10 -2.75 1.42 5.03 0.05 -4.35 115.26 111.38 3bmx n ASN 95 Ca 0.12 -0.88 -0.02 0.00 0.87 0.00 0.00 54.58 54.68 3bmx n ASN 95 Cb 0.67 0.46 0.05 0.00 -1.02 0.00 0.00 39.78 39.93 3bmx n ASN 95 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3bmx n VAL 96 N -0.96 1.35 -0.06 2.41 0.24 -0.96 -4.70 118.33 115.65 3bmx n VAL 96 Ca 0.08 -2.99 -0.03 0.00 -2.04 0.00 0.00 64.34 59.35 3bmx n VAL 96 Cb 0.37 1.11 0.21 0.00 -1.47 0.00 0.00 33.84 34.06 3bmx n VAL 96 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3bmx h LYS 97 N 2.55 0.68 -4.99 7.34 1.57 -1.78 -0.83 116.57 121.11 3bmx h LYS 97 Ca -0.10 -0.18 -0.37 0.00 -1.87 0.00 0.00 60.65 58.13 3bmx h LYS 97 Cb 1.30 -0.08 -0.23 0.00 0.08 0.00 0.00 32.23 33.29 3bmx h LYS 97 CO 0.22 0.71 -0.77 0.95 -0.57 0.00 0.00 179.45 180.00 3bmx s THR 98 N -4.93 0.87 0.13 -0.16 -4.23 -1.26 -3.78 115.64 102.28 3bmx s THR 98 Ca -0.09 -0.99 -0.19 0.00 -1.18 0.00 0.00 61.69 59.24 3bmx s THR 98 Cb 0.15 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 73.14 3bmx s THR 98 CO 0.79 -0.14 1.73 0.74 -0.54 0.00 0.00 174.62 177.21 3bmx h THR 99 N 4.52 0.87 0.01 3.99 2.02 -1.96 -0.42 112.91 121.95 3bmx h THR 99 Ca -0.37 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 66.78 3bmx h THR 99 Cb 1.19 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3bmx h THR 99 CO 0.43 0.02 -0.10 0.50 0.37 0.00 0.00 175.52 176.74 3bmx h LYS 100 N 0.13 -0.18 -0.45 6.66 3.64 -1.97 -1.67 116.57 122.73 3bmx h LYS 100 Ca 0.11 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3bmx h LYS 100 Cb 0.12 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3bmx h LYS 100 CO -0.16 -0.12 0.20 1.96 -2.27 0.00 0.00 179.45 179.07 3bmx h GLN 101 N -0.18 0.63 -0.30 1.90 4.20 -1.89 -2.56 115.11 116.92 3bmx h GLN 101 Ca 0.03 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3bmx h GLN 101 Cb 0.22 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3bmx h GLN 101 CO -0.09 0.50 -0.14 1.15 -0.67 0.00 0.00 178.83 179.58 3bmx h THR 102 N 0.63 1.29 -0.83 -0.54 2.02 -0.63 -0.12 112.91 114.74 3bmx h THR 102 Ca 0.16 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.09 3bmx h THR 102 Cb 0.09 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 3bmx h THR 102 CO -0.02 0.39 0.45 0.58 0.37 0.00 0.00 175.52 177.29 3bmx h VAL 103 N 0.37 1.25 -0.62 3.16 2.07 -1.19 -0.40 116.25 120.89 3bmx h VAL 103 Ca 0.07 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3bmx h VAL 103 Cb 0.66 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3bmx h VAL 103 CO 0.04 0.28 0.20 -0.61 0.02 0.00 0.00 177.57 177.51 3bmx h GLN 104 N 1.16 0.95 -0.42 1.57 5.75 -1.19 -1.74 115.11 121.19 3bmx h GLN 104 Ca 0.29 -0.20 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3bmx h GLN 104 Cb 0.05 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 3bmx h GLN 104 CO -0.05 0.84 -0.06 1.25 -2.65 0.00 0.00 178.83 178.17 3bmx h LEU 105 N 0.88 0.79 -0.48 -2.39 5.85 -0.47 -0.14 115.31 119.34 3bmx h LEU 105 Ca 0.20 -0.34 -0.16 0.00 0.84 0.00 0.00 57.88 58.43 3bmx h LEU 105 Cb 0.27 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3bmx h LEU 105 CO -0.01 0.94 -0.43 0.71 -0.34 0.00 0.00 178.44 179.31 3bmx h THR 106 N 0.62 1.29 -0.71 1.05 1.35 -1.03 0.10 112.91 115.58 3bmx h THR 106 Ca 0.11 -1.62 0.01 0.00 -0.55 0.00 0.00 66.41 64.37 3bmx h THR 106 Cb 0.57 1.51 -0.04 0.00 -1.73 0.00 0.00 68.15 68.46 3bmx h THR 106 CO 0.03 0.52 0.46 0.44 -0.25 0.00 0.00 175.52 176.73 3bmx h ASP 107 N 0.62 0.79 -0.10 5.36 5.19 -1.24 -1.30 116.42 125.73 3bmx h ASP 107 Ca 0.04 -0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.30 3bmx h ASP 107 Cb 0.99 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 3bmx h ASP 107 CO 0.09 0.56 -0.39 0.44 -3.12 0.00 0.00 179.24 176.83 3bmx h ASP 108 N 0.93 0.67 -0.54 6.45 3.32 -0.70 -0.53 116.42 126.02 3bmx h ASP 108 Ca 0.27 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3bmx h ASP 108 Cb -0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3bmx h ASP 108 CO -0.07 0.98 0.24 1.88 -1.72 0.00 0.00 179.24 180.55 3bmx h TYR 109 N 0.52 0.80 -0.18 4.55 0.99 -0.58 -1.32 116.97 121.75 3bmx h TYR 109 Ca 0.05 -0.05 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 3bmx h TYR 109 Cb 0.91 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 38.38 3bmx h TYR 109 CO 0.04 0.64 -0.25 1.96 -0.00 0.00 0.00 178.16 180.55 3bmx h GLN 110 N 0.73 0.34 -0.40 4.88 1.08 -0.93 -1.63 115.11 119.18 3bmx h GLN 110 Ca 0.18 -0.12 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 3bmx h GLN 110 Cb 0.16 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3bmx h GLN 110 CO -0.02 0.57 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.20 3bmx h LYS 111 N 0.31 0.64 -0.04 1.46 3.64 -0.79 -2.90 116.57 118.88 3bmx h LYS 111 Ca 0.05 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 3bmx h LYS 111 Cb 0.61 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3bmx h LYS 111 CO 0.04 0.67 -0.67 0.00 -2.27 0.00 0.00 179.45 177.22 3bmx h ALA 112 N 1.39 0.80 -2.21 5.00 0.00 -0.55 -3.43 119.26 120.26 3bmx h ALA 112 Ca 0.12 -0.59 -0.55 0.00 0.00 0.00 0.00 54.91 53.89 3bmx h ALA 112 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3bmx h ALA 112 CO 0.02 0.79 1.10 0.45 0.00 0.00 0.00 179.25 181.60 3bmx s SER 113 N -6.89 6.59 0.19 0.00 0.15 -0.68 -4.25 113.70 108.81 3bmx s SER 113 Ca -0.03 2.09 0.08 0.00 0.70 0.00 0.00 55.95 58.79 3bmx s SER 113 Cb 0.12 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 3bmx s SER 113 CO 0.80 -1.01 1.42 1.55 1.20 0.00 0.00 173.24 177.20 3bmx h PRO 114 N 9.86 0.03 0.00 5.44 0.13 -1.85 -3.42 132.00 142.19 3bmx h PRO 114 Ca -0.38 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3bmx h PRO 114 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3bmx h PRO 114 CO 0.96 0.85 -0.49 1.63 -0.23 0.00 0.00 178.00 180.71 3bmx n LYS 115 N -3.57 0.03 -4.77 0.86 5.02 -1.26 -5.07 118.16 109.40 3bmx n LYS 115 Ca -0.01 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 3bmx n LYS 115 Cb 0.80 -0.75 -0.17 0.00 -0.02 0.00 0.00 35.03 34.89 3bmx n LYS 115 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bmx s ILE 116 N -1.49 1.40 0.43 -0.18 1.01 -1.26 -5.11 121.20 116.00 3bmx s ILE 116 Ca 0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 3bmx s ILE 116 Cb 0.00 -1.25 -0.10 0.00 0.01 0.00 0.00 42.46 41.12 3bmx s ILE 116 CO 0.00 0.41 1.22 -2.65 0.00 0.00 0.00 174.94 173.93 3bmx n PRO 117 N 3.71 1.79 -2.68 2.79 -0.02 -1.26 -4.90 135.00 134.44 3bmx n PRO 117 Ca -0.22 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.53 3bmx n PRO 117 Cb 0.52 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3bmx n PRO 117 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3bmx s LEU 118 N -1.57 4.35 -0.04 2.45 1.43 -1.26 -4.94 118.68 119.09 3bmx s LEU 118 Ca 0.62 1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 55.38 3bmx s LEU 118 Cb -0.51 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 3bmx s LEU 118 CO 0.57 -0.16 1.33 -0.04 0.23 0.00 0.00 176.35 178.28 3bmx s MET 119 N -1.99 4.29 -0.32 1.70 -1.94 -0.49 -4.95 119.30 115.60 3bmx s MET 119 Ca 0.50 1.84 -0.04 0.00 -1.71 0.00 0.00 55.69 56.28 3bmx s MET 119 Cb -0.22 -3.61 0.05 0.00 2.01 0.00 0.00 34.83 33.06 3bmx s MET 119 CO 0.28 -0.56 0.06 -0.51 -0.01 0.00 0.00 175.02 174.27 3bmx s LEU 120 N 2.55 4.17 0.35 -0.03 1.43 -1.26 -0.86 118.68 125.04 3bmx s LEU 120 Ca 0.60 -1.27 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 3bmx s LEU 120 Cb -0.28 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3bmx s LEU 120 CO 0.24 -0.31 0.13 -0.94 0.23 0.00 0.00 176.35 175.70 3bmx s SER 121 N 1.37 4.57 -0.01 2.29 1.04 -0.39 -1.56 113.70 121.01 3bmx s SER 121 Ca -0.03 -0.86 -0.28 0.00 0.48 0.00 0.00 55.95 55.27 3bmx s SER 121 Cb -0.20 -0.65 0.09 0.00 0.10 0.00 0.00 66.02 65.36 3bmx s SER 121 CO 0.00 -0.34 0.80 -0.51 0.98 0.00 0.00 173.24 174.17 3bmx s ILE 122 N -2.47 0.00 -1.13 -1.02 2.07 -0.94 -0.67 121.20 117.04 3bmx s ILE 122 Ca 0.38 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.57 3bmx s ILE 122 Cb -0.01 -1.00 0.28 0.00 0.13 0.00 0.00 42.46 41.86 3bmx s ILE 122 CO 0.22 0.00 1.59 0.47 -1.91 0.00 0.00 174.94 175.31 3bmx n ASP 123 N 0.18 6.16 -4.29 4.50 8.00 -1.26 -0.58 116.55 129.26 3bmx n ASP 123 Ca -0.13 -3.35 -0.44 0.00 0.71 0.00 0.00 54.79 51.57 3bmx n ASP 123 Cb 0.61 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 3bmx n ASP 123 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3bmx n GLN 124 N 1.87 3.65 0.10 -1.24 -0.06 -1.26 -4.15 117.38 116.29 3bmx n GLN 124 Ca 0.30 -4.26 -0.16 0.00 -2.00 0.00 0.00 57.00 50.87 3bmx n GLN 124 Cb 0.34 -2.69 -0.14 0.00 -4.06 0.00 0.00 30.24 23.69 3bmx n GLN 124 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 3bmx h GLU 125 N 6.52 0.27 0.00 3.69 5.08 -1.62 -3.46 114.58 125.06 3bmx h GLU 125 Ca 0.23 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3bmx h GLU 125 Cb 0.82 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3bmx h GLU 125 CO 1.16 1.22 0.00 0.41 -1.00 0.00 0.00 179.01 180.80 3bmx n GLY 126 N 1.54 2.28 7.00 -3.84 0.00 -0.30 -4.81 105.19 107.07 3bmx n GLY 126 Ca -0.09 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3bmx n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bmx n GLY 127 N 1.86 3.04 0.00 -0.02 0.00 -0.09 -2.98 105.19 107.00 3bmx n GLY 127 Ca 0.00 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.96 3bmx n GLY 127 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3bmx n ILE 128 N 0.00 0.05 -3.89 -0.61 -5.35 -1.26 -4.31 119.36 103.99 3bmx n ILE 128 Ca 0.00 0.01 -0.30 0.00 -0.27 0.00 0.00 62.75 62.19 3bmx n ILE 128 Cb 0.00 -0.53 -0.15 0.00 -1.74 0.00 0.00 39.64 37.22 3bmx n ILE 128 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3bmx s VAL 129 N -2.74 1.66 0.05 7.28 1.01 -1.16 -5.08 120.40 121.41 3bmx s VAL 129 Ca 0.22 -1.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.23 3bmx s VAL 129 Cb 0.19 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3bmx s VAL 129 CO 0.47 -0.64 -0.02 0.42 0.00 0.00 0.00 175.10 175.33 3bmx s THR 130 N 1.18 0.21 0.00 3.92 -4.23 -1.26 -1.15 115.64 114.31 3bmx s THR 130 Ca 0.11 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 3bmx s THR 130 Cb -0.18 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.24 3bmx s THR 130 CO -0.15 -0.95 0.00 0.54 -0.54 0.00 0.00 174.62 173.52 3bmx n ARG 131 N 0.22 2.28 -2.02 3.99 5.12 -1.26 -4.91 116.66 120.07 3bmx n ARG 131 Ca -0.15 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.35 3bmx n ARG 131 Cb 0.61 -0.90 -0.03 0.00 -1.16 0.00 0.00 32.46 30.97 3bmx n ARG 131 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3bmx s LEU 132 N -3.78 4.35 0.38 0.55 1.43 -1.26 -4.39 118.68 115.96 3bmx s LEU 132 Ca 0.00 2.39 0.14 0.00 -1.03 0.00 0.00 54.13 55.63 3bmx s LEU 132 Cb 0.00 -3.57 0.76 0.00 0.03 0.00 0.00 46.19 43.41 3bmx s LEU 132 CO 0.00 -0.82 1.84 1.23 0.23 0.00 0.00 176.35 178.83 3bmx h GLY 133 N 8.16 0.00 -0.00 -3.19 0.00 -1.24 -3.10 103.07 103.70 3bmx h GLY 133 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3bmx h GLY 133 CO 0.92 0.00 -0.00 1.18 0.00 0.00 0.00 176.54 178.63 3bmx n GLU 134 N -4.04 2.73 -2.00 4.80 1.02 -1.25 -4.95 120.64 116.96 3bmx n GLU 134 Ca -0.02 -1.63 -0.28 0.00 -0.02 0.00 0.00 57.16 55.21 3bmx n GLU 134 Cb 0.40 -1.06 0.09 0.00 -0.02 0.00 0.00 31.44 30.86 3bmx n GLU 134 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3bmx s GLY 135 N -1.23 1.64 -0.19 0.62 0.00 -1.17 -3.42 107.32 103.56 3bmx s GLY 135 Ca 0.04 -0.79 -0.28 0.00 0.00 0.00 0.00 44.72 43.70 3bmx s GLY 135 CO 0.00 -0.30 0.95 -1.59 0.00 0.00 0.00 173.10 172.17 3bmx s THR 136 N -3.50 4.77 0.03 0.90 2.01 -1.26 -4.74 115.64 113.85 3bmx s THR 136 Ca 0.62 1.87 -0.10 0.00 0.31 0.00 0.00 61.69 64.39 3bmx s THR 136 Cb -0.10 -4.24 -0.32 0.00 0.01 0.00 0.00 72.50 67.85 3bmx s THR 136 CO 0.48 -0.08 0.98 0.78 -0.69 0.00 0.00 174.62 176.09 3bmx h ASN 137 N 7.39 0.64 -3.77 3.53 2.35 -1.94 -3.49 115.58 120.30 3bmx h ASN 137 Ca -0.24 -0.74 0.20 0.00 -0.55 0.00 0.00 56.30 54.97 3bmx h ASN 137 Cb 1.10 -0.21 -0.11 0.00 0.05 0.00 0.00 38.32 39.15 3bmx h ASN 137 CO 0.91 1.59 -0.70 0.49 -1.65 0.00 0.00 177.43 178.06 3bmx n PHE 138 N -3.62 -2.22 0.64 1.19 3.01 -1.26 -0.91 117.46 114.29 3bmx n PHE 138 Ca -0.15 1.22 0.13 0.00 1.01 0.00 0.00 57.45 59.65 3bmx n PHE 138 Cb 1.07 -2.02 0.38 0.00 -0.01 0.00 0.00 39.48 38.90 3bmx n PHE 138 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3bmx n PRO 139 N -3.39 0.25 0.00 -1.08 -0.04 -1.26 -1.70 135.00 127.78 3bmx n PRO 139 Ca -0.05 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3bmx n PRO 139 Cb 0.39 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 3bmx n PRO 139 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bmx n GLY 140 N 1.32 0.94 0.22 0.55 0.00 -1.26 -4.37 105.19 102.58 3bmx n GLY 140 Ca 0.05 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 3bmx n GLY 140 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3bmx h ASN 141 N 0.00 0.70 0.40 1.61 4.21 -1.81 -1.27 115.58 119.42 3bmx h ASN 141 Ca 0.00 -0.31 -0.12 0.00 1.21 0.00 0.00 56.30 57.08 3bmx h ASN 141 Cb 0.00 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 3bmx h ASN 141 CO 0.00 0.84 -0.51 -0.03 -1.29 0.00 0.00 177.43 176.45 3bmx h MET 142 N 0.53 0.13 -0.60 0.81 4.05 -0.85 0.90 114.93 119.90 3bmx h MET 142 Ca 0.11 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 3bmx h MET 142 Cb 0.49 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 3bmx h MET 142 CO 0.02 0.61 0.34 0.00 0.23 0.00 0.00 176.91 178.11 3bmx h ALA 143 N 1.38 0.76 -0.88 0.39 0.00 -1.74 0.27 119.26 119.44 3bmx h ALA 143 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3bmx h ALA 143 Cb 0.93 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3bmx h ALA 143 CO 0.07 0.26 0.54 -0.07 0.00 0.00 0.00 179.25 180.05 3bmx h LEU 144 N 0.81 1.05 -0.46 0.00 3.38 -0.25 -0.94 115.31 118.90 3bmx h LEU 144 Ca 0.21 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3bmx h LEU 144 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3bmx h LEU 144 CO -0.04 0.80 0.25 1.23 0.09 0.00 0.00 178.44 180.77 3bmx h GLY 145 N 1.22 0.64 1.46 0.83 0.00 -0.11 -0.92 103.07 106.20 3bmx h GLY 145 Ca 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 3bmx h GLY 145 CO -0.06 0.13 0.17 0.00 0.00 0.00 0.00 176.54 176.78 3bmx h ALA 146 N 1.23 1.40 0.00 3.60 0.00 -0.27 -1.58 119.26 123.64 3bmx h ALA 146 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3bmx h ALA 146 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3bmx h ALA 146 CO -0.12 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3bmx n ALA 147 N -2.46 2.20 0.00 0.00 0.00 -0.42 -1.80 120.51 118.02 3bmx n ALA 147 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3bmx n ALA 147 Cb 0.17 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3bmx n ALA 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3bmx n ARG 148 N -2.07 0.00 -2.40 0.00 5.12 -0.40 -4.95 116.66 111.96 3bmx n ARG 148 Ca 0.05 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.56 3bmx n ARG 148 Cb 0.38 -0.09 -0.03 0.00 -1.16 0.00 0.00 32.46 31.55 3bmx n ARG 148 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3bmx s SER 149 N 0.00 7.10 0.40 0.55 0.15 -1.26 -4.91 113.70 115.72 3bmx s SER 149 Ca 0.00 2.16 0.21 0.00 0.70 0.00 0.00 55.95 59.02 3bmx s SER 149 Cb 0.00 -2.60 0.71 0.00 -1.71 0.00 0.00 66.02 62.42 3bmx s SER 149 CO 0.00 -0.39 1.74 0.08 1.20 0.00 0.00 173.24 175.87 3bmx h ARG 150 N 5.72 0.00 0.00 5.44 0.11 -1.92 -2.48 114.38 121.24 3bmx h ARG 150 Ca -0.44 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.61 3bmx h ARG 150 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 3bmx h ARG 150 CO 0.77 0.31 -0.18 0.97 0.10 0.00 0.00 179.97 181.93 3bmx h ILE 151 N 0.00 0.78 -0.55 0.08 6.09 -1.96 -1.67 117.51 120.27 3bmx h ILE 151 Ca -0.00 -0.74 -0.05 0.00 -1.37 0.00 0.00 64.86 62.70 3bmx h ILE 151 Cb 0.89 1.44 -0.03 0.00 0.47 0.00 0.00 36.82 39.60 3bmx h ILE 151 CO 0.04 0.18 0.13 0.78 -3.07 0.00 0.00 178.15 176.21 3bmx h ASN 152 N 0.00 0.80 -0.50 2.19 2.35 -1.83 0.39 115.58 118.97 3bmx h ASN 152 Ca -0.00 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.48 3bmx h ASN 152 Cb 0.43 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3bmx h ASN 152 CO 0.02 0.78 -0.16 0.00 -1.65 0.00 0.00 177.43 176.42 3bmx h ALA 153 N 1.32 0.74 -0.53 -0.83 0.00 -1.39 -1.29 119.26 117.29 3bmx h ALA 153 Ca 0.18 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3bmx h ALA 153 Cb 0.31 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3bmx h ALA 153 CO -0.00 0.67 0.32 -0.92 0.00 0.00 0.00 179.25 179.32 3bmx h TYR 154 N 0.88 0.59 -0.54 0.00 5.03 -0.95 -0.20 116.97 121.78 3bmx h TYR 154 Ca 0.13 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 3bmx h TYR 154 Cb 0.73 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.80 3bmx h TYR 154 CO 0.05 0.34 0.22 0.37 -1.32 0.00 0.00 178.16 177.82 3bmx h GLN 155 N 0.63 0.80 -0.08 1.82 4.15 -0.79 0.33 115.11 121.97 3bmx h GLN 155 Ca 0.21 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 3bmx h GLN 155 Cb 0.02 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 3bmx h GLN 155 CO -0.10 0.69 0.05 1.15 -1.93 0.00 0.00 178.83 178.69 3bmx h THR 156 N 0.73 1.07 -0.86 2.39 2.02 -0.94 -0.51 112.91 116.81 3bmx h THR 156 Ca 0.18 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3bmx h THR 156 Cb 0.18 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 3bmx h THR 156 CO -0.02 0.06 0.56 1.23 0.37 0.00 0.00 175.52 177.72 3bmx h GLY 157 N 0.06 1.22 1.12 2.16 0.00 -0.82 -0.60 103.07 106.20 3bmx h GLY 157 Ca 0.03 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 3bmx h GLY 157 CO -0.01 0.46 -0.43 0.23 0.00 0.00 0.00 176.54 176.79 3bmx h SER 158 N 1.17 0.97 -0.12 0.19 0.87 -0.65 0.95 113.55 116.93 3bmx h SER 158 Ca 0.31 -0.49 -0.08 0.00 -1.23 0.00 0.00 61.79 60.30 3bmx h SER 158 Cb -0.11 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.57 3bmx h SER 158 CO -0.07 1.27 -0.24 0.40 -0.53 0.00 0.00 176.83 177.66 3bmx h ILE 159 N 0.69 1.38 -0.74 2.23 2.04 -0.90 -0.78 117.51 121.43 3bmx h ILE 159 Ca 0.04 -1.50 0.06 0.00 1.00 0.00 0.00 64.86 64.46 3bmx h ILE 159 Cb 1.03 2.05 -0.06 0.00 -0.74 0.00 0.00 36.82 39.10 3bmx h ILE 159 CO 0.10 0.44 0.42 0.40 0.00 0.00 0.00 178.15 179.52 3bmx h ILE 160 N -0.03 0.98 -0.67 -0.67 2.04 -1.11 -1.02 117.51 117.03 3bmx h ILE 160 Ca 0.01 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3bmx h ILE 160 Cb 0.82 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3bmx h ILE 160 CO 0.05 0.14 0.21 1.23 0.00 0.00 0.00 178.15 179.78 3bmx h GLY 161 N 0.77 1.11 1.10 5.37 0.00 -0.69 -0.03 103.07 110.69 3bmx h GLY 161 Ca 0.33 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 3bmx h GLY 161 CO -0.19 0.60 -0.05 0.50 0.00 0.00 0.00 176.54 177.40 3bmx h LYS 162 N 0.99 1.07 -0.19 4.80 1.57 -0.44 -0.14 116.57 124.24 3bmx h LYS 162 Ca 0.22 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3bmx h LYS 162 Cb 0.29 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3bmx h LYS 162 CO -0.01 1.07 0.01 0.93 -0.57 0.00 0.00 179.45 180.88 3bmx h GLU 163 N 0.96 0.32 -0.44 3.15 5.08 -0.65 -1.83 114.58 121.17 3bmx h GLU 163 Ca 0.16 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3bmx h GLU 163 Cb 0.62 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3bmx h GLU 163 CO 0.04 0.51 0.26 -0.07 -1.00 0.00 0.00 179.01 178.75 3bmx h LEU 164 N 0.09 0.42 -0.36 1.33 3.38 -0.92 -2.13 115.31 117.12 3bmx h LEU 164 Ca 0.05 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3bmx h LEU 164 Cb 0.36 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3bmx h LEU 164 CO 0.01 0.30 0.02 0.28 0.09 0.00 0.00 178.44 179.13 3bmx h SER 165 N 0.52 -0.11 -0.46 -0.43 0.02 -0.91 -0.56 113.55 111.61 3bmx h SER 165 Ca 0.18 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3bmx h SER 165 Cb 0.01 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3bmx h SER 165 CO -0.08 -0.02 0.31 0.00 -1.14 0.00 0.00 176.83 175.89 3bmx h ALA 166 N 1.30 1.69 -0.00 3.77 0.00 -1.02 -1.63 119.26 123.37 3bmx h ALA 166 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3bmx h ALA 166 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3bmx h ALA 166 CO -0.28 0.28 -0.01 1.28 0.00 0.00 0.00 179.25 180.53 3bmx n LEU 167 N -4.47 0.01 0.00 0.00 4.77 -0.58 -4.67 117.00 112.07 3bmx n LEU 167 Ca 0.04 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3bmx n LEU 167 Cb 0.07 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3bmx n LEU 167 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3bmx n GLY 168 N 1.43 0.43 3.73 -0.72 0.00 -0.61 -4.22 105.19 105.23 3bmx n GLY 168 Ca 0.09 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 3bmx n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bmx s ILE 169 N -2.00 5.26 -0.31 -0.61 1.01 -0.33 -4.84 121.20 119.39 3bmx s ILE 169 Ca 0.00 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.39 3bmx s ILE 169 Cb 0.00 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.78 3bmx s ILE 169 CO 0.00 0.37 0.55 -0.46 0.00 0.00 0.00 174.94 175.40 3bmx n ASN 170 N 3.59 1.14 -3.76 3.58 0.23 -0.60 -3.66 115.26 115.78 3bmx n ASN 170 Ca -0.10 -1.07 -0.15 0.00 -0.53 0.00 0.00 54.58 52.73 3bmx n ASN 170 Cb 0.52 0.06 -0.16 0.00 -2.08 0.00 0.00 39.78 38.12 3bmx n ASN 170 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3bmx s THR 171 N -0.28 -0.06 -0.15 5.53 2.01 -0.85 -1.19 115.64 120.65 3bmx s THR 171 Ca 0.03 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.26 3bmx s THR 171 Cb 0.02 -0.10 0.00 0.00 0.01 0.00 0.00 72.50 72.43 3bmx s THR 171 CO 0.04 0.09 -0.17 -0.62 -0.69 0.00 0.00 174.62 173.27 3bmx s ASP 172 N 1.15 3.50 -1.39 3.53 2.15 0.14 -2.22 116.67 123.53 3bmx s ASP 172 Ca -0.08 -0.52 -0.14 0.00 0.43 0.00 0.00 52.55 52.24 3bmx s ASP 172 Cb -0.13 -1.53 0.07 0.00 -0.30 0.00 0.00 42.92 41.03 3bmx s ASP 172 CO -0.03 0.07 2.04 0.49 -0.17 0.00 0.00 175.17 177.57 3bmx n PHE 173 N 4.12 3.81 -3.56 -5.34 0.99 0.26 -2.28 117.46 115.46 3bmx n PHE 173 Ca -0.19 -2.94 -0.17 0.00 -0.00 0.00 0.00 57.45 54.14 3bmx n PHE 173 Cb 0.52 -2.50 -0.06 0.00 -1.00 0.00 0.00 39.48 36.43 3bmx n PHE 173 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3bmx s SER 174 N 3.18 -0.61 0.17 4.37 0.15 -1.09 -4.61 113.70 115.26 3bmx s SER 174 Ca 0.48 0.72 -0.13 0.00 0.70 0.00 0.00 55.95 57.72 3bmx s SER 174 Cb 0.10 0.60 -0.07 0.00 -1.71 0.00 0.00 66.02 64.95 3bmx s SER 174 CO -0.03 -0.55 0.55 -2.16 1.20 0.00 0.00 173.24 172.24 3bmx s PRO 175 N -1.04 3.93 0.01 5.44 0.04 -1.09 -2.45 135.00 139.84 3bmx s PRO 175 Ca -0.10 0.43 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 3bmx s PRO 175 Cb -0.01 -2.85 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 3bmx s PRO 175 CO 0.08 0.43 1.75 0.08 0.04 0.00 0.00 177.00 179.38 3bmx s VAL 176 N -1.57 3.24 -0.13 -0.36 1.01 -1.26 -1.61 120.40 119.72 3bmx s VAL 176 Ca 0.41 0.43 0.19 0.00 0.00 0.00 0.00 61.98 63.01 3bmx s VAL 176 Cb -0.14 -3.28 0.31 0.00 0.00 0.00 0.00 36.38 33.27 3bmx s VAL 176 CO 0.20 -0.03 1.18 1.33 0.00 0.00 0.00 175.10 177.77 3bmx n VAL 177 N 5.27 1.93 -1.75 2.92 0.24 0.68 -4.69 118.33 122.93 3bmx n VAL 177 Ca 0.18 -2.23 -0.40 0.00 -2.04 0.00 0.00 64.34 59.84 3bmx n VAL 177 Cb 0.41 -0.24 0.02 0.00 -1.47 0.00 0.00 33.84 32.56 3bmx n VAL 177 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3bmx n ASP 178 N -1.35 3.12 -4.37 -1.34 8.00 -1.14 -4.81 116.55 114.66 3bmx n ASP 178 Ca 0.16 1.11 -0.38 0.00 0.71 0.00 0.00 54.79 56.40 3bmx n ASP 178 Cb 0.66 -1.58 -0.12 0.00 -0.02 0.00 0.00 41.12 40.06 3bmx n ASP 178 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bmx s ILE 179 N -1.20 4.17 -1.36 0.53 1.01 -1.26 -4.47 121.20 118.62 3bmx s ILE 179 Ca 0.61 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 3bmx s ILE 179 Cb -0.46 -3.17 0.09 0.00 0.01 0.00 0.00 42.46 38.93 3bmx s ILE 179 CO 0.57 0.04 1.98 -3.20 0.00 0.00 0.00 174.94 174.33 3bmx n ASN 180 N 4.90 4.51 -0.04 3.58 5.15 -1.06 -4.09 115.26 128.22 3bmx n ASN 180 Ca -0.14 -2.94 0.13 0.00 -0.60 0.00 0.00 54.58 51.02 3bmx n ASN 180 Cb 0.48 -1.61 0.35 0.00 -0.53 0.00 0.00 39.78 38.47 3bmx n ASN 180 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3bmx n ASN 181 N 5.75 0.47 -4.36 1.20 0.23 -1.22 -4.30 115.26 113.03 3bmx n ASN 181 Ca 0.47 -0.22 -0.40 0.00 -0.53 0.00 0.00 54.58 53.89 3bmx n ASN 181 Cb 0.40 0.09 -0.11 0.00 -2.08 0.00 0.00 39.78 38.07 3bmx n ASN 181 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3bmx s ASN 182 N -2.91 5.71 0.45 0.53 3.84 -1.20 -4.97 114.94 116.40 3bmx s ASN 182 Ca 0.14 -1.06 0.31 0.00 0.21 0.00 0.00 52.86 52.46 3bmx s ASN 182 Cb 0.18 -2.01 1.55 0.00 -0.55 0.00 0.00 41.25 40.42 3bmx s ASN 182 CO 0.64 -0.40 1.94 1.55 -2.79 0.00 0.00 177.10 178.04 3bmx h PRO 183 N 8.43 0.00 -0.14 0.43 0.13 -1.91 -1.49 132.00 137.45 3bmx h PRO 183 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3bmx h PRO 183 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3bmx h PRO 183 CO 0.68 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.20 3bmx n ASP 184 N -2.65 1.21 -4.64 1.44 8.00 -1.26 -4.65 116.55 114.00 3bmx n ASP 184 Ca -0.01 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 3bmx n ASP 184 Cb 0.13 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 3bmx n ASP 184 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3bmx s ASN 185 N -1.48 6.19 0.00 -2.24 3.84 -0.56 -4.64 114.94 116.04 3bmx s ASN 185 Ca 0.29 2.15 0.27 0.00 0.21 0.00 0.00 52.86 55.78 3bmx s ASN 185 Cb 0.15 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 39.22 3bmx s ASN 185 CO 0.23 -1.33 1.65 -0.81 -2.79 0.00 0.00 177.10 174.05 3bmx n PRO 186 N 7.85 0.67 -0.00 0.43 -0.04 -1.26 -4.05 135.00 138.60 3bmx n PRO 186 Ca 0.22 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3bmx n PRO 186 Cb 0.43 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3bmx n PRO 186 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3bmx n VAL 187 N -0.87 0.00 0.00 0.52 3.14 -1.26 -4.93 118.33 114.94 3bmx n VAL 187 Ca 0.12 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 3bmx n VAL 187 Cb 0.32 0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.41 3bmx n VAL 187 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 3bmx n ILE 188 N -1.57 0.00 0.00 1.55 2.08 -1.26 -4.89 119.36 115.26 3bmx n ILE 188 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3bmx n ILE 188 Cb 0.07 -0.86 0.00 0.00 -0.75 0.00 0.00 39.64 38.10 3bmx n ILE 188 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3bmx n GLY 189 N 2.64 3.63 0.00 7.39 0.00 -1.26 -1.54 105.19 116.05 3bmx n GLY 189 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.02 3bmx n GLY 189 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3bmx n VAL 190 N 0.00 0.43 0.38 1.61 0.24 -1.26 -1.14 118.33 118.59 3bmx n VAL 190 Ca 0.00 0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.54 3bmx n VAL 190 Cb 0.00 -0.85 0.53 0.00 -1.47 0.00 0.00 33.84 32.04 3bmx n VAL 190 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3bmx h ARG 191 N 0.00 0.00 -6.17 7.34 3.08 -1.63 -1.59 114.38 115.42 3bmx h ARG 191 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3bmx h ARG 191 Cb 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3bmx h ARG 191 CO 0.00 0.00 -0.17 0.45 -1.07 0.00 0.00 179.97 179.18 3bmx s SER 192 N -4.56 6.76 0.32 7.04 0.15 -0.29 -4.63 113.70 118.47 3bmx s SER 192 Ca 0.04 0.94 0.01 0.00 0.70 0.00 0.00 55.95 57.65 3bmx s SER 192 Cb 0.09 -2.24 0.53 0.00 -1.71 0.00 0.00 66.02 62.69 3bmx s SER 192 CO 0.43 0.19 1.89 -0.26 1.20 0.00 0.00 173.24 176.69 3bmx h PHE 193 N 3.90 0.74 -1.36 3.44 0.04 -1.78 -2.57 116.94 119.35 3bmx h PHE 193 Ca -0.49 -0.05 0.26 0.00 2.80 0.00 0.00 57.97 60.49 3bmx h PHE 193 Cb 1.20 -0.22 -0.20 0.00 2.20 0.00 0.00 35.95 38.92 3bmx h PHE 193 CO 0.67 0.60 0.85 0.45 -0.60 0.00 0.00 178.31 180.28 3bmx s SER 194 N -6.61 -0.11 0.00 2.17 0.15 -1.26 -3.89 113.70 104.15 3bmx s SER 194 Ca -0.09 0.02 0.29 0.00 0.70 0.00 0.00 55.95 56.86 3bmx s SER 194 Cb 0.16 0.11 1.28 0.00 -1.71 0.00 0.00 66.02 65.86 3bmx s SER 194 CO 0.78 -0.18 1.88 -1.54 1.20 0.00 0.00 173.24 175.38 3bmx n SER 195 N 0.00 0.79 -4.74 5.45 3.41 -0.70 -2.56 113.62 115.28 3bmx n SER 195 Ca 0.01 -1.05 -0.36 0.00 -0.26 0.00 0.00 58.87 57.21 3bmx n SER 195 Cb 0.58 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.45 3bmx n SER 195 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3bmx s ASN 196 N -2.19 6.35 0.30 4.04 3.84 -1.26 -4.72 114.94 121.30 3bmx s ASN 196 Ca 0.36 0.40 0.02 0.00 0.21 0.00 0.00 52.86 53.85 3bmx s ASN 196 Cb 0.21 -2.14 0.47 0.00 -0.55 0.00 0.00 41.25 39.23 3bmx s ASN 196 CO 0.40 0.15 1.81 0.08 -2.79 0.00 0.00 177.10 176.75 3bmx h ARG 197 N 6.55 0.62 -0.04 0.43 0.11 -1.92 -2.07 114.38 118.06 3bmx h ARG 197 Ca -0.42 -0.16 -0.21 0.00 0.10 0.00 0.00 59.98 59.29 3bmx h ARG 197 Cb 1.16 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 32.18 3bmx h ARG 197 CO 0.75 0.67 -0.79 0.93 0.10 0.00 0.00 179.97 181.63 3bmx h GLU 198 N 0.59 0.61 -0.49 0.08 3.07 -1.98 -0.12 114.58 116.34 3bmx h GLU 198 Ca 0.12 -0.60 -0.05 0.00 -0.50 0.00 0.00 59.36 58.33 3bmx h GLU 198 Cb 0.43 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 3bmx h GLU 198 CO 0.02 1.21 0.11 1.25 -1.40 0.00 0.00 179.01 180.20 3bmx h LEU 199 N 0.24 0.75 -0.44 1.33 5.85 -1.97 -0.17 115.31 120.90 3bmx h LEU 199 Ca -0.09 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3bmx h LEU 199 Cb 1.46 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 3bmx h LEU 199 CO 0.16 0.80 0.23 0.74 -0.34 0.00 0.00 178.44 180.02 3bmx h THR 200 N 0.68 1.17 -0.37 1.05 2.02 -1.35 -2.06 112.91 114.04 3bmx h THR 200 Ca 0.15 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3bmx h THR 200 Cb 0.34 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3bmx h THR 200 CO 0.00 0.18 0.20 -1.28 0.37 0.00 0.00 175.52 174.99 3bmx h SER 201 N 0.57 0.47 -0.45 4.18 0.87 -0.74 0.05 113.55 118.51 3bmx h SER 201 Ca 0.15 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3bmx h SER 201 Cb 0.08 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3bmx h SER 201 CO -0.02 0.44 0.23 0.03 -0.53 0.00 0.00 176.83 176.98 3bmx h ARG 202 N 0.47 0.64 -0.00 2.24 3.08 -0.93 -0.84 114.38 119.04 3bmx h ARG 202 Ca 0.13 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.90 3bmx h ARG 202 Cb 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3bmx h ARG 202 CO -0.02 0.54 -0.84 -0.07 -1.07 0.00 0.00 179.97 178.51 3bmx h LEU 203 N 0.59 0.22 -0.35 3.04 3.38 -1.29 -2.13 115.31 118.77 3bmx h LEU 203 Ca 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3bmx h LEU 203 Cb 0.10 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3bmx h LEU 203 CO -0.02 0.96 0.14 1.23 0.09 0.00 0.00 178.44 180.84 3bmx h GLY 204 N 1.88 0.57 0.99 0.83 0.00 -0.83 -0.87 103.07 105.64 3bmx h GLY 204 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3bmx h GLY 204 CO 0.12 0.29 0.29 -2.00 0.00 0.00 0.00 176.54 175.25 3bmx h LEU 205 N 0.43 0.61 -0.43 3.11 5.85 -0.99 -1.00 115.31 122.90 3bmx h LEU 205 Ca 0.12 -0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.59 3bmx h LEU 205 Cb 0.19 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3bmx h LEU 205 CO -0.01 0.51 -0.76 1.88 -0.34 0.00 0.00 178.44 179.71 3bmx h TYR 206 N 0.67 0.33 -0.04 1.25 -1.99 -1.24 -0.84 116.97 115.12 3bmx h TYR 206 Ca 0.18 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3bmx h TYR 206 Cb 0.01 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 38.69 3bmx h TYR 206 CO -0.02 0.91 0.03 1.15 -0.00 0.00 0.00 178.16 180.22 3bmx h THR 207 N 0.16 1.02 -0.58 -2.88 2.02 -0.93 -0.89 112.91 110.82 3bmx h THR 207 Ca -0.03 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.14 3bmx h THR 207 Cb 1.34 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 3bmx h THR 207 CO 0.12 0.02 0.33 -0.03 0.37 0.00 0.00 175.52 176.33 3bmx h MET 208 N 0.04 0.62 -0.44 6.66 1.85 -0.97 -1.73 114.93 120.96 3bmx h MET 208 Ca 0.01 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 58.97 3bmx h MET 208 Cb 0.01 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 31.88 3bmx h MET 208 CO -0.00 0.41 -0.12 0.87 -0.40 0.00 0.00 176.91 177.67 3bmx h LYS 209 N 0.64 0.80 -0.82 0.39 1.57 -1.03 -0.81 116.57 117.31 3bmx h LYS 209 Ca 0.25 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3bmx h LYS 209 Cb 0.09 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3bmx h LYS 209 CO -0.14 0.88 0.36 0.78 -0.57 0.00 0.00 179.45 180.76 3bmx h GLY 210 N 0.97 1.30 0.84 3.86 0.00 -0.66 -0.76 103.07 108.62 3bmx h GLY 210 Ca 0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 3bmx h GLY 210 CO 0.04 0.64 -0.06 1.41 0.00 0.00 0.00 176.54 178.58 3bmx h LEU 211 N 1.18 0.47 -1.26 3.11 3.38 -0.98 -3.17 115.31 118.04 3bmx h LEU 211 Ca 0.28 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3bmx h LEU 211 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3bmx h LEU 211 CO -0.03 0.72 -0.19 1.56 0.09 0.00 0.00 178.44 180.59 3bmx h GLN 212 N 0.21 0.26 0.00 1.13 4.20 -0.96 -1.16 115.11 118.78 3bmx h GLN 212 Ca 0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3bmx h GLN 212 Cb 0.52 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 3bmx h GLN 212 CO 0.02 0.46 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.48 3bmx h ARG 213 N 0.24 0.00 -0.62 1.46 9.65 -1.11 -0.70 114.38 123.30 3bmx h ARG 213 Ca 0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3bmx h ARG 213 Cb 0.49 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3bmx h ARG 213 CO 0.03 0.07 0.00 1.04 2.80 0.00 0.00 179.97 183.91 3bmx n GLN 214 N -3.58 2.85 -3.20 0.20 1.13 -0.50 -4.92 117.38 109.35 3bmx n GLN 214 Ca -0.02 -2.25 -0.20 0.00 -1.94 0.00 0.00 57.00 52.59 3bmx n GLN 214 Cb 0.18 -1.64 0.05 0.00 0.11 0.00 0.00 30.24 28.94 3bmx n GLN 214 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3bmx n ASP 215 N 1.06 -5.60 -4.49 1.08 8.00 -0.27 -4.87 116.55 111.46 3bmx n ASP 215 Ca 0.21 -0.36 -0.35 0.00 0.71 0.00 0.00 54.79 55.00 3bmx n ASP 215 Cb 0.64 -4.31 -0.12 0.00 -0.02 0.00 0.00 41.12 37.31 3bmx n ASP 215 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bmx s ILE 216 N -3.19 4.06 0.19 0.53 -1.09 -0.83 -4.85 121.20 116.02 3bmx s ILE 216 Ca 0.39 -0.28 -0.31 0.00 -2.23 0.00 0.00 60.65 58.22 3bmx s ILE 216 Cb -0.17 -2.82 -0.10 0.00 -1.58 0.00 0.00 42.46 37.78 3bmx s ILE 216 CO 0.49 0.45 1.53 0.00 -1.23 0.00 0.00 174.94 176.18 3bmx s ALA 217 N 0.75 3.74 -0.08 9.38 0.00 -0.33 -3.60 121.76 131.61 3bmx s ALA 217 Ca 0.00 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.34 3bmx s ALA 217 Cb -0.14 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 3bmx s ALA 217 CO 0.02 -0.77 -0.12 0.45 0.00 0.00 0.00 175.76 175.34 3bmx s SER 218 N 0.95 4.16 -0.16 0.00 0.15 -1.26 -0.68 113.70 116.85 3bmx s SER 218 Ca 0.67 -0.21 -0.01 0.00 0.70 0.00 0.00 55.95 57.11 3bmx s SER 218 Cb -0.43 -1.19 -0.01 0.00 -1.71 0.00 0.00 66.02 62.68 3bmx s SER 218 CO 0.34 0.28 -0.12 0.00 1.20 0.00 0.00 173.24 174.94 3bmx s ALA 219 N -0.33 2.60 0.23 5.45 0.00 -0.97 -2.14 121.76 126.60 3bmx s ALA 219 Ca 0.03 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 3bmx s ALA 219 Cb -0.13 -1.33 -0.09 0.00 0.00 0.00 0.00 23.12 21.57 3bmx s ALA 219 CO 0.02 -0.06 1.18 -0.51 0.00 0.00 0.00 175.76 176.40 3bmx s LEU 220 N 0.85 4.48 0.02 0.00 1.43 -0.61 -2.67 118.68 122.19 3bmx s LEU 220 Ca -0.04 2.29 0.01 0.00 -1.03 0.00 0.00 54.13 55.36 3bmx s LEU 220 Cb -0.15 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 3bmx s LEU 220 CO 0.00 -0.32 -0.05 -0.54 0.23 0.00 0.00 176.35 175.68 3bmx s LYS 221 N -0.76 0.37 -0.22 1.70 1.02 -0.63 -0.52 119.74 120.70 3bmx s LYS 221 Ca 0.50 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.93 3bmx s LYS 221 Cb -0.33 -0.10 0.04 0.00 -0.52 0.00 0.00 37.83 36.92 3bmx s LYS 221 CO 0.40 0.01 -0.13 -1.01 -0.92 0.00 0.00 175.35 173.70 3bmx s HIS 222 N -1.17 2.78 0.19 3.18 0.09 -1.26 -0.23 115.29 118.86 3bmx s HIS 222 Ca -0.11 -1.85 -0.30 0.00 -0.00 0.00 0.00 55.06 52.81 3bmx s HIS 222 Cb -0.08 -1.80 -0.08 0.00 -0.00 0.00 0.00 32.58 30.62 3bmx s HIS 222 CO -0.00 -0.80 1.10 0.12 -0.00 0.00 0.00 174.74 175.15 3bmx s PHE 223 N 1.28 3.60 -0.34 1.40 5.36 0.63 -0.36 117.98 129.54 3bmx s PHE 223 Ca -0.02 1.61 0.12 0.00 -0.96 0.00 0.00 56.93 57.67 3bmx s PHE 223 Cb -0.17 -3.27 0.71 0.00 -0.34 0.00 0.00 43.02 39.96 3bmx s PHE 223 CO -0.08 -0.59 1.62 -0.35 -1.46 0.00 0.00 175.22 174.35 3bmx n PRO 224 N 2.26 4.28 0.00 10.12 -0.04 -1.26 -0.66 135.00 149.70 3bmx n PRO 224 Ca 0.02 -2.77 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 3bmx n PRO 224 Cb 0.46 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 3bmx n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bmx n GLY 225 N 0.44 3.15 1.28 0.55 0.00 0.52 -4.19 105.19 106.95 3bmx n GLY 225 Ca 0.27 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3bmx n GLY 225 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3bmx n HIS 226 N 0.00 0.83 0.23 1.61 -0.00 -1.20 -4.57 115.22 112.12 3bmx n HIS 226 Ca 0.00 -0.42 0.10 0.00 0.46 0.00 0.00 57.72 57.86 3bmx n HIS 226 Cb 0.00 0.00 0.50 0.00 -0.12 0.00 0.00 29.99 30.37 3bmx n HIS 226 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3bmx h GLY 227 N 4.46 0.00 -1.33 1.57 0.00 -1.90 -3.18 103.07 102.69 3bmx h GLY 227 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bmx h GLY 227 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.88 3bmx n ASP 228 N -3.48 2.32 -4.78 0.19 2.03 -1.26 -3.23 116.55 108.34 3bmx n ASP 228 Ca -0.00 -1.80 -0.37 0.00 0.52 0.00 0.00 54.79 53.14 3bmx n ASP 228 Cb 0.40 -0.12 -0.06 0.00 -0.72 0.00 0.00 41.12 40.62 3bmx n ASP 228 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3bmx s THR 229 N -1.77 4.20 -2.17 5.18 -4.23 -1.20 -4.72 115.64 110.94 3bmx s THR 229 Ca 0.34 1.84 0.21 0.00 -1.18 0.00 0.00 61.69 62.90 3bmx s THR 229 Cb 0.20 -4.03 0.39 0.00 1.34 0.00 0.00 72.50 70.40 3bmx s THR 229 CO 0.29 0.16 1.34 -0.90 -0.54 0.00 0.00 174.62 174.97 3bmx n ASP 230 N 0.61 3.30 -4.33 3.99 5.68 -1.26 -3.72 116.55 120.82 3bmx n ASP 230 Ca 0.02 -1.95 -0.31 0.00 -0.50 0.00 0.00 54.79 52.05 3bmx n ASP 230 Cb 0.50 -0.24 -0.16 0.00 -1.14 0.00 0.00 41.12 40.09 3bmx n ASP 230 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3bmx s VAL 231 N -1.35 2.15 -0.22 2.12 1.01 -1.26 -4.55 120.40 118.29 3bmx s VAL 231 Ca 0.35 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 3bmx s VAL 231 Cb 0.20 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3bmx s VAL 231 CO 0.28 0.58 0.71 -0.62 0.00 0.00 0.00 175.10 176.05 3bmx s ASP 232 N -0.62 6.73 0.03 3.32 -1.08 -1.26 -4.72 116.67 119.07 3bmx s ASP 232 Ca 0.10 0.90 0.09 0.00 -0.52 0.00 0.00 52.55 53.12 3bmx s ASP 232 Cb -0.10 -2.38 0.41 0.00 -1.46 0.00 0.00 42.92 39.39 3bmx s ASP 232 CO -0.01 -0.38 1.30 -1.54 0.52 0.00 0.00 175.17 175.06 3bmx n SER 233 N 5.52 0.07 0.23 -0.34 3.41 -1.24 -0.85 113.62 120.41 3bmx n SER 233 Ca 0.01 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 3bmx n SER 233 Cb 0.49 -0.53 0.51 0.00 -0.26 0.00 0.00 64.21 64.41 3bmx n SER 233 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3bmx h HIS 234 N 0.00 0.00 0.00 7.33 3.86 -1.93 -2.33 115.15 122.08 3bmx h HIS 234 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3bmx h HIS 234 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3bmx h HIS 234 CO 0.00 0.19 -1.13 0.66 0.86 0.00 0.00 177.93 178.51 3bmx n TYR 235 N -3.36 0.00 -3.77 2.45 4.01 -0.03 -2.42 117.16 114.04 3bmx n TYR 235 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 3bmx n TYR 235 Cb 0.40 -0.09 -0.00 0.00 -0.31 0.00 0.00 39.34 39.34 3bmx n TYR 235 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3bmx s GLY 236 N -2.41 -0.17 -0.39 2.72 0.00 -0.71 -4.75 107.32 101.62 3bmx s GLY 236 Ca -0.01 0.09 -0.20 0.00 0.00 0.00 0.00 44.72 44.60 3bmx s GLY 236 CO 0.17 0.58 0.60 -2.27 0.00 0.00 0.00 173.10 172.18 3bmx s LEU 237 N -3.06 4.40 0.50 0.66 2.96 -1.26 -3.71 118.68 119.17 3bmx s LEU 237 Ca 0.15 -0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 3bmx s LEU 237 Cb -0.01 -2.70 -0.07 0.00 0.50 0.00 0.00 46.19 43.91 3bmx s LEU 237 CO 0.02 -0.64 0.94 -2.84 -1.32 0.00 0.00 176.35 172.51 3bmx s PRO 238 N 2.65 3.89 -0.09 0.98 0.02 -1.26 -4.93 135.00 136.26 3bmx s PRO 238 Ca 0.22 0.84 0.04 0.00 0.02 0.00 0.00 61.00 62.12 3bmx s PRO 238 Cb -0.15 -2.19 -0.01 0.00 0.02 0.00 0.00 34.50 32.18 3bmx s PRO 238 CO 0.16 -0.24 -0.22 -1.17 -0.33 0.00 0.00 177.00 175.21 3bmx s LEU 239 N -4.08 2.24 -0.19 -5.54 2.96 -1.26 -0.76 118.68 112.05 3bmx s LEU 239 Ca 0.57 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3bmx s LEU 239 Cb -0.10 -1.45 0.03 0.00 0.50 0.00 0.00 46.19 45.17 3bmx s LEU 239 CO 0.32 0.19 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.69 3bmx s VAL 240 N 0.14 1.98 -2.45 1.68 1.01 -0.03 -4.83 120.40 117.90 3bmx s VAL 240 Ca -0.11 -1.01 0.21 0.00 0.00 0.00 0.00 61.98 61.06 3bmx s VAL 240 Cb -0.16 -1.86 0.23 0.00 0.00 0.00 0.00 36.38 34.59 3bmx s VAL 240 CO 0.06 0.42 1.21 -1.20 0.00 0.00 0.00 175.10 175.59 3bmx n SER 241 N 4.62 2.90 -4.73 3.32 7.64 -1.26 -4.07 113.62 122.03 3bmx n SER 241 Ca -0.19 -1.89 -0.37 0.00 1.01 0.00 0.00 58.87 57.44 3bmx n SER 241 Cb 0.49 -0.07 0.07 0.00 -1.01 0.00 0.00 64.21 63.68 3bmx n SER 241 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3bmx s HIS 242 N -1.61 2.07 0.98 1.43 3.76 -1.26 -4.80 115.29 115.87 3bmx s HIS 242 Ca 0.27 1.50 -0.12 0.00 -0.15 0.00 0.00 55.06 56.56 3bmx s HIS 242 Cb 0.18 -3.67 0.18 0.00 1.11 0.00 0.00 32.58 30.38 3bmx s HIS 242 CO 0.27 -2.88 1.11 0.20 -0.85 0.00 0.00 174.74 172.58 3bmx s GLY 243 N -1.46 1.56 0.33 -2.22 0.00 -1.26 -4.44 107.32 99.83 3bmx s GLY 243 Ca 0.82 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 45.12 3bmx s GLY 243 CO 0.40 0.18 1.98 1.46 0.00 0.00 0.00 173.10 177.12 3bmx h GLN 244 N -1.82 0.87 -0.23 2.90 4.20 -1.95 -1.64 115.11 117.44 3bmx h GLN 244 Ca -0.54 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.09 3bmx h GLN 244 Cb 1.33 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3bmx h GLN 244 CO 0.59 0.60 0.11 0.93 -0.67 0.00 0.00 178.83 180.39 3bmx h GLU 245 N 0.88 0.34 -0.42 1.46 5.08 -1.99 0.01 114.58 119.94 3bmx h GLU 245 Ca 0.23 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3bmx h GLU 245 Cb -0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3bmx h GLU 245 CO -0.04 0.36 0.13 -0.09 -1.00 0.00 0.00 179.01 178.36 3bmx h ARG 246 N 0.24 0.66 -0.94 2.33 9.65 -1.88 -1.60 114.38 122.85 3bmx h ARG 246 Ca 0.08 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 3bmx h ARG 246 Cb 0.14 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.58 3bmx h ARG 246 CO -0.01 0.66 0.56 -0.07 2.80 0.00 0.00 179.97 183.91 3bmx h LEU 247 N 0.54 1.14 -0.52 3.80 3.38 -1.09 -0.57 115.31 121.99 3bmx h LEU 247 Ca 0.14 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 3bmx h LEU 247 Cb 0.28 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3bmx h LEU 247 CO -0.00 0.88 -0.23 -0.09 0.09 0.00 0.00 178.44 179.09 3bmx h ARG 248 N 1.30 0.96 0.00 1.13 2.43 -0.80 0.15 114.38 119.55 3bmx h ARG 248 Ca 0.34 -0.41 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 3bmx h ARG 248 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3bmx h ARG 248 CO -0.06 1.08 -0.50 0.93 -1.51 0.00 0.00 179.97 179.91 3bmx h GLU 249 N 0.83 0.00 0.00 0.20 4.39 -0.85 -3.30 114.58 115.84 3bmx h GLU 249 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3bmx h GLU 249 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3bmx h GLU 249 CO 0.07 0.50 0.00 0.28 -1.16 0.00 0.00 179.01 178.70 3bmx n VAL 250 N -3.62 0.00 -0.20 3.13 0.31 -0.26 -4.63 118.33 113.06 3bmx n VAL 250 Ca -0.00 0.01 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3bmx n VAL 250 Cb 0.58 -0.63 0.10 0.00 -0.91 0.00 0.00 33.84 32.98 3bmx n VAL 250 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3bmx h GLU 251 N 0.00 0.13 0.00 5.55 3.07 -1.58 -1.91 114.58 119.83 3bmx h GLU 251 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3bmx h GLU 251 Cb 0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3bmx h GLU 251 CO 0.00 0.08 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.58 3bmx h LEU 252 N 0.13 0.00 0.00 1.33 3.38 -1.14 -3.38 115.31 115.64 3bmx h LEU 252 Ca 0.32 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.32 3bmx h LEU 252 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3bmx h LEU 252 CO -0.51 0.04 -0.24 0.22 0.09 0.00 0.00 178.44 178.05 3bmx h TYR 253 N 0.00 -0.64 0.00 1.13 5.03 -1.42 -0.58 116.97 120.48 3bmx h TYR 253 Ca -0.00 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.25 3bmx h TYR 253 Cb 0.88 0.29 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 3bmx h TYR 253 CO 0.00 -0.33 -0.37 -1.00 -1.32 0.00 0.00 178.16 175.13 3bmx h PRO 254 N -0.38 0.00 -0.39 1.82 0.13 -1.75 -2.37 132.00 129.06 3bmx h PRO 254 Ca 0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 3bmx h PRO 254 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 3bmx h PRO 254 CO -0.21 0.37 0.18 0.74 -0.23 0.00 0.00 178.00 178.85 3bmx h PHE 255 N 0.00 0.58 -0.61 1.56 -1.00 -1.61 -2.46 116.94 113.39 3bmx h PHE 255 Ca -0.00 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 3bmx h PHE 255 Cb 0.68 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 40.04 3bmx h PHE 255 CO 0.00 0.50 0.30 0.37 -1.61 0.00 0.00 178.31 177.87 3bmx h GLN 256 N 0.49 0.87 -0.60 1.51 5.75 -0.67 0.59 115.11 123.06 3bmx h GLN 256 Ca 0.13 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 3bmx h GLN 256 Cb 0.15 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 3bmx h GLN 256 CO -0.01 0.69 0.17 0.87 -2.65 0.00 0.00 178.83 177.90 3bmx h LYS 257 N 0.83 0.93 0.01 1.69 1.79 -1.39 -0.96 116.57 119.47 3bmx h LYS 257 Ca 0.21 -0.21 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 3bmx h LYS 257 Cb 0.10 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 3bmx h LYS 257 CO -0.03 0.84 -0.91 0.00 -1.08 0.00 0.00 179.45 178.27 3bmx h ALA 258 N 1.05 0.45 -0.17 3.86 0.00 -1.19 -2.30 119.26 120.96 3bmx h ALA 258 Ca 0.19 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3bmx h ALA 258 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3bmx h ALA 258 CO -0.00 0.90 0.10 0.82 0.00 0.00 0.00 179.25 181.06 3bmx h ILE 259 N 0.14 1.09 -0.23 0.00 2.04 -0.70 -1.82 117.51 118.03 3bmx h ILE 259 Ca -0.06 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3bmx h ILE 259 Cb 1.55 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 3bmx h ILE 259 CO 0.14 0.09 0.15 0.44 0.00 0.00 0.00 178.15 178.98 3bmx h ASP 260 N 0.19 0.19 -0.21 1.72 3.32 -1.10 -1.64 116.42 118.88 3bmx h ASP 260 Ca 0.06 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3bmx h ASP 260 Cb 0.06 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3bmx h ASP 260 CO -0.01 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 3bmx n ALA 261 N -2.52 2.50 0.00 3.45 0.00 -0.87 -4.93 120.51 118.13 3bmx n ALA 261 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3bmx n ALA 261 Cb 0.14 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3bmx n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bmx n GLY 262 N 1.01 1.92 3.68 0.00 0.00 -0.62 -5.05 105.19 106.13 3bmx n GLY 262 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 3bmx n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bmx n ALA 263 N -0.84 1.11 0.09 4.61 0.00 -0.72 -4.91 120.51 119.85 3bmx n ALA 263 Ca 0.00 0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.61 3bmx n ALA 263 Cb 0.00 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.07 3bmx n ALA 263 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3bmx h ASP 264 N 3.45 0.88 -5.02 0.00 3.32 -1.92 -3.44 116.42 113.70 3bmx h ASP 264 Ca -0.45 -0.81 -0.12 0.00 0.02 0.00 0.00 57.03 55.66 3bmx h ASP 264 Cb 1.28 -0.28 -0.19 0.00 0.22 0.00 0.00 39.33 40.36 3bmx h ASP 264 CO 0.70 1.62 -0.39 -0.04 -1.72 0.00 0.00 179.24 179.41 3bmx s MET 265 N -2.99 0.63 -0.07 3.56 -1.94 -0.91 -1.78 119.30 115.80 3bmx s MET 265 Ca -0.09 -0.44 0.01 0.00 -1.71 0.00 0.00 55.69 53.46 3bmx s MET 265 Cb 0.06 0.27 0.02 0.00 2.01 0.00 0.00 34.83 37.18 3bmx s MET 265 CO 0.93 -0.17 -0.08 0.08 -0.01 0.00 0.00 175.02 175.78 3bmx s VAL 266 N -1.86 0.84 -0.03 -6.03 1.01 -0.34 -1.58 120.40 112.41 3bmx s VAL 266 Ca -0.10 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 3bmx s VAL 266 Cb -0.04 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 3bmx s VAL 266 CO 0.00 0.31 0.32 -0.32 0.00 0.00 0.00 175.10 175.41 3bmx s MET 267 N 1.10 3.75 0.76 2.72 1.75 0.32 -1.04 119.30 128.66 3bmx s MET 267 Ca -0.07 0.22 -0.12 0.00 -1.25 0.00 0.00 55.69 54.47 3bmx s MET 267 Cb -0.14 -3.19 0.05 0.00 2.84 0.00 0.00 34.83 34.38 3bmx s MET 267 CO -0.01 0.71 1.13 0.95 -0.65 0.00 0.00 175.02 177.15 3bmx s THR 268 N -1.09 2.83 -0.12 10.11 -4.23 -0.35 -0.27 115.64 122.51 3bmx s THR 268 Ca 0.22 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 3bmx s THR 268 Cb -0.15 -3.25 -0.03 0.00 1.34 0.00 0.00 72.50 70.42 3bmx s THR 268 CO 0.11 -0.35 -0.07 0.00 -0.54 0.00 0.00 174.62 173.77 3bmx s ALA 269 N -3.43 2.92 -1.39 3.99 0.00 0.16 -3.65 121.76 120.36 3bmx s ALA 269 Ca 0.60 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.59 3bmx s ALA 269 Cb -0.11 -1.39 0.09 0.00 0.00 0.00 0.00 23.12 21.70 3bmx s ALA 269 CO 0.51 0.33 2.14 0.72 0.00 0.00 0.00 175.76 179.46 3bmx n HIS 270 N 3.14 3.20 -3.93 0.00 8.25 -1.26 -2.81 115.22 121.80 3bmx n HIS 270 Ca -0.18 -2.90 -0.12 0.00 -0.26 0.00 0.00 57.72 54.26 3bmx n HIS 270 Cb 0.53 -2.29 -0.13 0.00 1.12 0.00 0.00 29.99 29.22 3bmx n HIS 270 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3bmx s VAL 271 N 1.87 0.09 0.01 1.59 1.01 -1.26 -4.20 120.40 119.51 3bmx s VAL 271 Ca 0.45 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 3bmx s VAL 271 Cb 0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.34 3bmx s VAL 271 CO -0.05 -0.09 0.76 -1.10 0.00 0.00 0.00 175.10 174.62 3bmx s GLN 272 N -0.35 4.48 -0.53 2.72 -0.21 0.06 -0.48 119.66 125.36 3bmx s GLN 272 Ca -0.03 1.04 0.04 0.00 0.02 0.00 0.00 55.36 56.43 3bmx s GLN 272 Cb -0.02 -3.40 0.17 0.00 1.00 0.00 0.00 33.01 30.76 3bmx s GLN 272 CO -0.00 0.19 0.41 1.19 -2.12 0.00 0.00 175.29 174.96 3bmx n PHE 273 N 3.18 0.78 0.17 0.91 3.01 -1.26 -0.85 117.46 123.40 3bmx n PHE 273 Ca -0.01 -3.72 0.17 0.00 1.01 0.00 0.00 57.45 54.90 3bmx n PHE 273 Cb 0.51 -0.10 0.78 0.00 -0.01 0.00 0.00 39.48 40.65 3bmx n PHE 273 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3bmx h PRO 274 N 5.48 0.00 0.00 -1.08 0.13 -1.71 0.31 132.00 135.13 3bmx h PRO 274 Ca 0.22 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.32 3bmx h PRO 274 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3bmx h PRO 274 CO 0.51 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.13 3bmx h ALA 275 N 1.79 1.32 0.05 -0.56 0.00 -1.85 -3.09 119.26 116.92 3bmx h ALA 275 Ca 0.11 -0.14 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 3bmx h ALA 275 Cb 0.54 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3bmx h ALA 275 CO -0.00 0.19 -2.12 1.19 0.00 0.00 0.00 179.25 178.51 3bmx n PHE 276 N -3.73 0.73 -3.33 0.00 3.72 -0.03 -4.74 117.46 110.07 3bmx n PHE 276 Ca -0.02 0.18 -0.04 0.00 -0.05 0.00 0.00 57.45 57.53 3bmx n PHE 276 Cb 0.26 -1.11 -0.05 0.00 -0.94 0.00 0.00 39.48 37.64 3bmx n PHE 276 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3bmx s ASP 277 N -6.52 -0.48 -0.21 4.37 -1.08 -0.45 -4.74 116.67 107.56 3bmx s ASP 277 Ca -0.21 0.63 0.15 0.00 -0.52 0.00 0.00 52.55 52.60 3bmx s ASP 277 Cb 0.07 1.59 0.73 0.00 -1.46 0.00 0.00 42.92 43.86 3bmx s ASP 277 CO 0.74 -0.27 1.65 -0.90 0.52 0.00 0.00 175.17 176.91 3bmx n ASP 278 N 5.40 5.15 -4.72 -0.34 5.68 -1.23 -3.93 116.55 122.57 3bmx n ASP 278 Ca -0.04 -2.89 -0.43 0.00 -0.50 0.00 0.00 54.79 50.93 3bmx n ASP 278 Cb 0.50 -0.63 -0.02 0.00 -1.14 0.00 0.00 41.12 39.83 3bmx n ASP 278 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3bmx n THR 279 N 0.39 1.12 -4.37 2.12 -1.04 -1.26 -4.87 114.28 106.37 3bmx n THR 279 Ca 0.26 -0.28 -0.25 0.00 -2.04 0.00 0.00 64.05 61.74 3bmx n THR 279 Cb 1.08 -1.75 -0.09 0.00 -1.82 0.00 0.00 70.33 67.75 3bmx n THR 279 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3bmx s THR 280 N -0.17 2.92 0.12 12.58 -4.23 -1.26 -1.13 115.64 124.47 3bmx s THR 280 Ca 0.64 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 3bmx s THR 280 Cb -0.56 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 3bmx s THR 280 CO 0.51 -0.29 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.87 3bmx s TYR 281 N -2.17 1.22 -0.24 3.99 2.02 -0.37 -4.92 117.35 116.88 3bmx s TYR 281 Ca 0.28 -0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 56.04 3bmx s TYR 281 Cb -0.07 -0.64 0.00 0.00 -0.40 0.00 0.00 41.96 40.85 3bmx s TYR 281 CO 0.16 0.07 1.14 0.15 -1.57 0.00 0.00 175.55 175.49 3bmx s LYS 282 N -2.98 4.17 0.28 -0.62 -0.14 -1.26 -0.55 119.74 118.64 3bmx s LYS 282 Ca 0.09 1.37 -0.29 0.00 -1.36 0.00 0.00 55.97 55.78 3bmx s LYS 282 Cb -0.02 -3.72 -0.10 0.00 -1.68 0.00 0.00 37.83 32.31 3bmx s LYS 282 CO 0.01 -0.76 1.30 0.45 -0.76 0.00 0.00 175.35 175.59 3bmx s SER 283 N 1.68 6.85 0.50 2.83 0.15 0.24 -4.89 113.70 121.06 3bmx s SER 283 Ca 0.49 2.56 0.27 0.00 0.70 0.00 0.00 55.95 59.96 3bmx s SER 283 Cb -0.16 -2.63 1.32 0.00 -1.71 0.00 0.00 66.02 62.84 3bmx s SER 283 CO 0.12 -0.51 2.01 0.50 1.20 0.00 0.00 173.24 176.56 3bmx h LYS 284 N 4.18 0.00 0.13 5.44 3.64 -1.34 0.44 116.57 129.06 3bmx h LYS 284 Ca -0.47 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3bmx h LYS 284 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3bmx h LYS 284 CO 0.70 0.15 -0.06 1.25 -2.27 0.00 0.00 179.45 179.22 3bmx h LEU 285 N 0.00 -0.15 -1.23 5.20 5.85 -1.74 -3.41 115.31 119.82 3bmx h LEU 285 Ca -0.00 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3bmx h LEU 285 Cb 0.44 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3bmx h LEU 285 CO 0.02 0.37 0.00 -0.90 -0.34 0.00 0.00 178.44 177.59 3bmx n ASP 286 N -4.93 0.32 0.00 1.25 5.68 -1.23 -5.01 116.55 112.63 3bmx n ASP 286 Ca -0.08 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.05 3bmx n ASP 286 Cb 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3bmx n ASP 286 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bmx n GLY 287 N -0.08 0.80 3.85 6.12 0.00 0.14 -4.98 105.19 111.05 3bmx n GLY 287 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3bmx n GLY 287 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bmx s SER 288 N -2.78 6.09 -0.03 1.61 1.04 -1.26 -4.39 113.70 113.98 3bmx s SER 288 Ca 0.00 1.53 -0.30 0.00 0.48 0.00 0.00 55.95 57.66 3bmx s SER 288 Cb 0.00 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 3bmx s SER 288 CO 0.00 -0.96 1.42 -1.81 0.98 0.00 0.00 173.24 172.88 3bmx s ASP 289 N -3.75 6.83 0.00 7.02 1.01 -1.26 -0.60 116.67 125.93 3bmx s ASP 289 Ca 0.57 2.07 0.08 0.00 0.71 0.00 0.00 52.55 55.98 3bmx s ASP 289 Cb -0.12 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 3bmx s ASP 289 CO 0.48 -0.76 -0.24 0.27 0.21 0.00 0.00 175.17 175.13 3bmx s ILE 290 N 2.86 1.89 0.52 0.77 -4.36 0.29 -4.93 121.20 118.25 3bmx s ILE 290 Ca 0.64 -1.10 -0.22 0.00 -0.26 0.00 0.00 60.65 59.71 3bmx s ILE 290 Cb -0.30 -1.59 -0.05 0.00 1.25 0.00 0.00 42.46 41.77 3bmx s ILE 290 CO 0.25 0.46 1.32 -0.76 0.24 0.00 0.00 174.94 176.45 3bmx s LEU 291 N -0.75 3.89 0.26 0.37 1.43 -1.26 -1.23 118.68 121.38 3bmx s LEU 291 Ca 0.09 2.68 -0.30 0.00 -1.03 0.00 0.00 54.13 55.57 3bmx s LEU 291 Cb -0.09 -4.25 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 3bmx s LEU 291 CO -0.00 -1.42 1.38 0.54 0.23 0.00 0.00 176.35 177.07 3bmx s VAL 292 N -1.35 2.81 0.48 -1.59 0.11 -0.28 -4.86 120.40 115.72 3bmx s VAL 292 Ca 0.69 0.70 -0.22 0.00 -2.93 0.00 0.00 61.98 60.22 3bmx s VAL 292 Cb -0.38 -3.45 -0.07 0.00 -1.53 0.00 0.00 36.38 30.95 3bmx s VAL 292 CO 0.45 0.12 1.20 -2.84 -3.33 0.00 0.00 175.10 170.70 3bmx s PRO 293 N -0.64 3.61 0.30 1.54 0.02 -1.26 -4.37 135.00 134.21 3bmx s PRO 293 Ca 0.56 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.45 3bmx s PRO 293 Cb -0.40 -2.35 0.58 0.00 0.02 0.00 0.00 34.50 32.36 3bmx s PRO 293 CO 0.44 -0.69 1.87 0.00 -0.33 0.00 0.00 177.00 178.29 3bmx h ALA 294 N 1.88 1.57 -1.07 -1.55 0.00 -0.81 0.07 119.26 119.35 3bmx h ALA 294 Ca -0.50 0.00 0.29 0.00 0.00 0.00 0.00 54.91 54.70 3bmx h ALA 294 Cb 1.26 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 3bmx h ALA 294 CO 0.59 0.23 0.71 1.15 0.00 0.00 0.00 179.25 181.94 3bmx h THR 295 N 0.97 0.49 -0.50 0.00 2.02 -1.80 -1.07 112.91 113.01 3bmx h THR 295 Ca 0.45 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.53 3bmx h THR 295 Cb 0.41 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3bmx h THR 295 CO -0.21 0.05 0.00 0.18 0.37 0.00 0.00 175.52 175.91 3bmx n LEU 296 N -4.50 3.89 -4.53 2.58 4.77 -0.00 -4.56 117.00 114.65 3bmx n LEU 296 Ca 0.25 -2.32 -0.39 0.00 -0.03 0.00 0.00 56.01 53.52 3bmx n LEU 296 Cb 0.98 -0.44 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 3bmx n LEU 296 CO 0.30 0.79 -0.15 -0.55 -1.33 0.00 0.00 177.39 176.45 3bmx s SER 297 N -1.12 5.94 0.23 -1.43 0.15 -0.41 -4.71 113.70 112.36 3bmx s SER 297 Ca 0.40 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.69 3bmx s SER 297 Cb 0.25 -2.11 0.23 0.00 -1.71 0.00 0.00 66.02 62.68 3bmx s SER 297 CO 0.21 -0.17 1.67 0.50 1.20 0.00 0.00 173.24 176.65 3bmx h LYS 298 N 8.43 0.80 -0.83 5.44 3.64 -1.87 -0.98 116.57 131.20 3bmx h LYS 298 Ca -0.33 -0.28 0.03 0.00 -1.27 0.00 0.00 60.65 58.80 3bmx h LYS 298 Cb 1.17 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 3bmx h LYS 298 CO 0.61 0.89 0.53 0.87 -2.27 0.00 0.00 179.45 180.08 3bmx h LYS 299 N 0.72 1.01 -0.01 1.90 1.57 -1.91 0.58 116.57 120.43 3bmx h LYS 299 Ca 0.12 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 3bmx h LYS 299 Cb 0.63 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.72 3bmx h LYS 299 CO 0.04 0.67 -0.40 0.28 -0.57 0.00 0.00 179.45 179.48 3bmx h VAL 300 N 1.04 1.48 0.11 0.50 2.07 -1.81 0.49 116.25 120.13 3bmx h VAL 300 Ca 0.33 -1.97 -0.30 0.00 0.82 0.00 0.00 66.70 65.58 3bmx h VAL 300 Cb -0.00 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3bmx h VAL 300 CO -0.11 0.56 -1.50 0.24 0.02 0.00 0.00 177.57 176.77 3bmx h MET 301 N -0.30 0.23 0.00 1.57 2.86 -1.15 -0.38 114.93 117.77 3bmx h MET 301 Ca -0.05 -0.40 -0.22 0.00 -2.06 0.00 0.00 59.70 56.97 3bmx h MET 301 Cb 1.12 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.90 3bmx h MET 301 CO 0.08 1.10 -1.57 2.41 1.06 0.00 0.00 176.91 179.99 3bmx n THR 302 N -3.44 1.51 0.01 2.22 -1.04 0.11 -2.35 114.28 111.29 3bmx n THR 302 Ca -0.15 -0.08 -0.11 0.00 -2.04 0.00 0.00 64.05 61.66 3bmx n THR 302 Cb 1.04 -2.12 -0.06 0.00 -1.82 0.00 0.00 70.33 67.37 3bmx n THR 302 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3bmx h GLY 303 N -1.00 0.09 0.00 3.41 0.00 -0.96 -1.32 103.07 103.30 3bmx h GLY 303 Ca -0.33 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3bmx h GLY 303 CO -0.20 0.02 -0.71 -2.00 0.00 0.00 0.00 176.54 173.65 3bmx h LEU 304 N 0.07 0.00 0.09 3.11 5.85 -0.79 -1.59 115.31 122.05 3bmx h LEU 304 Ca 0.03 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3bmx h LEU 304 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3bmx h LEU 304 CO -0.02 1.00 -0.04 0.25 -0.34 0.00 0.00 178.44 179.29 3bmx h LEU 305 N -1.00 -0.10 -0.01 2.25 5.85 -1.15 0.51 115.31 121.67 3bmx h LEU 305 Ca -0.12 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 3bmx h LEU 305 Cb 0.76 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3bmx h LEU 305 CO -0.07 0.39 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.28 3bmx h ARG 306 N -0.62 0.05 0.00 1.25 9.65 -1.38 -2.11 114.38 121.22 3bmx h ARG 306 Ca -0.01 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3bmx h ARG 306 Cb 0.51 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3bmx h ARG 306 CO 0.02 0.70 -0.29 1.96 2.80 0.00 0.00 179.97 185.16 3bmx h GLN 307 N -0.57 0.00 -0.37 0.20 4.20 -1.30 -2.88 115.11 114.38 3bmx h GLN 307 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3bmx h GLN 307 Cb 0.71 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 3bmx h GLN 307 CO 0.01 0.00 0.24 0.93 -0.67 0.00 0.00 178.83 179.34 3bmx h GLU 308 N -0.60 0.49 -0.00 1.46 4.39 -1.03 -2.94 114.58 116.35 3bmx h GLU 308 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3bmx h GLU 308 Cb 0.29 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3bmx h GLU 308 CO 0.00 0.34 -0.49 -1.33 -1.16 0.00 0.00 179.01 176.37 3bmx n MET 309 N -4.82 0.24 -1.71 2.33 2.81 0.15 -4.96 117.12 111.16 3bmx n MET 309 Ca -0.00 -0.15 -0.09 0.00 -1.81 0.00 0.00 57.70 55.66 3bmx n MET 309 Cb 0.03 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 3bmx n MET 309 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bmx n GLY 310 N 1.46 0.53 3.64 3.03 0.00 -1.09 -4.89 105.19 107.86 3bmx n GLY 310 Ca 0.07 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 3bmx n GLY 310 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bmx s PHE 311 N -2.37 3.17 -1.31 1.61 5.36 -0.81 -4.89 117.98 118.74 3bmx s PHE 311 Ca 0.00 1.17 0.13 0.00 -0.96 0.00 0.00 56.93 57.28 3bmx s PHE 311 Cb 0.00 -3.61 0.30 0.00 -0.34 0.00 0.00 43.02 39.37 3bmx s PHE 311 CO 0.00 -0.73 1.20 0.09 -1.46 0.00 0.00 175.22 174.33 3bmx n ASN 312 N 6.76 2.85 -2.09 6.13 5.03 -1.26 -4.35 115.26 128.32 3bmx n ASN 312 Ca 0.11 -1.87 0.00 0.00 0.87 0.00 0.00 54.58 53.69 3bmx n ASN 312 Cb 0.47 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 3bmx n ASN 312 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bmx n GLY 313 N 0.76 -0.32 3.68 7.41 0.00 -1.26 -4.95 105.19 110.50 3bmx n GLY 313 Ca 0.12 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 3bmx n GLY 313 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bmx s VAL 314 N -0.21 4.84 -0.21 1.61 1.01 -0.73 -4.93 120.40 121.78 3bmx s VAL 314 Ca 0.00 1.80 -0.14 0.00 0.00 0.00 0.00 61.98 63.64 3bmx s VAL 314 Cb 0.00 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3bmx s VAL 314 CO 0.00 0.02 0.33 -0.63 0.00 0.00 0.00 175.10 174.82 3bmx s ILE 315 N 2.05 5.24 -0.02 2.22 1.01 -1.26 -1.20 121.20 129.25 3bmx s ILE 315 Ca 0.43 0.56 0.08 0.00 0.00 0.00 0.00 60.65 61.71 3bmx s ILE 315 Cb -0.17 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3bmx s ILE 315 CO 0.15 0.28 -0.26 0.54 0.00 0.00 0.00 174.94 175.64 3bmx s VAL 316 N 1.25 2.06 0.59 2.92 0.11 -0.20 -0.66 120.40 126.46 3bmx s VAL 316 Ca 0.16 -1.12 -0.18 0.00 -2.93 0.00 0.00 61.98 57.91 3bmx s VAL 316 Cb -0.14 -1.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 3bmx s VAL 316 CO 0.07 0.57 1.13 0.42 -3.33 0.00 0.00 175.10 173.96 3bmx s THR 317 N -0.62 3.14 1.01 5.04 -4.23 -0.64 -1.21 115.64 118.13 3bmx s THR 317 Ca 0.10 0.65 -0.11 0.00 -1.18 0.00 0.00 61.69 61.15 3bmx s THR 317 Cb -0.10 -3.21 0.20 0.00 1.34 0.00 0.00 72.50 70.72 3bmx s THR 317 CO -0.01 -0.21 1.09 -0.62 -0.54 0.00 0.00 174.62 174.32 3bmx s ASP 318 N -2.02 2.29 0.13 3.99 -1.08 -1.24 -4.32 116.67 114.43 3bmx s ASP 318 Ca 0.71 1.76 -0.33 0.00 -0.52 0.00 0.00 52.55 54.17 3bmx s ASP 318 Cb -0.23 -2.38 -0.13 0.00 -1.46 0.00 0.00 42.92 38.72 3bmx s ASP 318 CO 0.32 -3.42 1.66 0.00 0.52 0.00 0.00 175.17 174.25 3bmx n ALA 319 N -4.42 1.58 1.25 3.66 0.00 -1.26 -4.58 120.51 116.75 3bmx n ALA 319 Ca 0.07 0.41 0.14 0.00 0.00 0.00 0.00 53.44 54.06 3bmx n ALA 319 Cb 0.54 -2.42 0.70 0.00 0.00 0.00 0.00 19.45 18.27 3bmx n ALA 319 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3bmx n LEU 320 N 4.10 0.00 -0.01 0.00 4.77 -0.47 -2.40 117.00 123.00 3bmx n LEU 320 Ca 0.18 0.37 0.14 0.00 -0.03 0.00 0.00 56.01 56.66 3bmx n LEU 320 Cb 0.30 -0.37 0.57 0.00 -2.33 0.00 0.00 43.42 41.60 3bmx n LEU 320 CO 0.65 -0.00 0.87 -0.46 -1.33 0.00 0.00 177.39 177.12 3bmx n ASN 321 N -1.37 0.12 -4.77 -1.43 6.94 -1.24 -4.06 115.26 109.45 3bmx n ASN 321 Ca 0.11 0.22 -0.40 0.00 -0.02 0.00 0.00 54.58 54.49 3bmx n ASN 321 Cb 0.28 -0.31 0.01 0.00 -2.36 0.00 0.00 39.78 37.39 3bmx n ASN 321 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3bmx s MET 322 N -2.91 3.92 0.55 -3.83 -1.94 -1.01 -4.61 119.30 109.47 3bmx s MET 322 Ca 0.16 2.46 0.30 0.00 -1.71 0.00 0.00 55.69 56.90 3bmx s MET 322 Cb 0.19 -2.82 1.61 0.00 2.01 0.00 0.00 34.83 35.82 3bmx s MET 322 CO 0.55 -0.65 2.13 0.87 -0.01 0.00 0.00 175.02 177.91 3bmx h LYS 323 N 2.69 0.00 -0.79 2.03 1.57 -1.52 -0.01 116.57 120.54 3bmx h LYS 323 Ca -0.51 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.44 3bmx h LYS 323 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 3bmx h LYS 323 CO 0.63 0.08 0.53 0.00 -0.57 0.00 0.00 179.45 180.12 3bmx h ALA 324 N 1.92 2.16 0.00 3.86 0.00 -1.55 -1.22 119.26 124.44 3bmx h ALA 324 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 3bmx h ALA 324 Cb 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3bmx h ALA 324 CO 0.01 -0.39 -1.45 -0.89 0.00 0.00 0.00 179.25 176.53 3bmx n ILE 325 N -4.48 1.50 0.27 0.00 2.08 -0.38 -4.62 119.36 113.73 3bmx n ILE 325 Ca 0.16 -0.05 0.14 0.00 0.56 0.00 0.00 62.75 63.56 3bmx n ILE 325 Cb 0.58 -2.15 0.71 0.00 -0.75 0.00 0.00 39.64 38.04 3bmx n ILE 325 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3bmx h ALA 326 N -0.90 1.11 0.00 -1.39 0.00 -0.98 -0.89 119.26 116.22 3bmx h ALA 326 Ca -0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3bmx h ALA 326 Cb 1.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3bmx h ALA 326 CO -0.18 0.13 -0.21 -0.44 0.00 0.00 0.00 179.25 178.55 3bmx h ASP 327 N 0.00 0.00 0.00 0.00 5.19 -1.45 -3.37 116.42 116.79 3bmx h ASP 327 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3bmx h ASP 327 Cb 0.44 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 3bmx h ASP 327 CO 0.01 0.21 -1.30 1.41 -3.12 0.00 0.00 179.24 176.46 3bmx n HIS 328 N -3.30 0.00 -4.23 4.55 8.25 -0.51 -2.57 115.22 117.41 3bmx n HIS 328 Ca 0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.30 3bmx n HIS 328 Cb 0.47 -0.15 -0.13 0.00 1.12 0.00 0.00 29.99 31.29 3bmx n HIS 328 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3bmx s PHE 329 N -2.42 0.91 0.86 4.41 0.08 -0.46 -1.19 117.98 120.18 3bmx s PHE 329 Ca -0.02 -0.34 -0.11 0.00 0.12 0.00 0.00 56.93 56.58 3bmx s PHE 329 Cb 0.04 -0.54 0.11 0.00 -0.57 0.00 0.00 43.02 42.05 3bmx s PHE 329 CO 0.26 -0.01 1.10 0.20 -0.10 0.00 0.00 175.22 176.67 3bmx s GLY 330 N -1.04 1.65 0.05 4.36 0.00 -1.26 -4.52 107.32 106.55 3bmx s GLY 330 Ca -0.02 0.16 -0.23 0.00 0.00 0.00 0.00 44.72 44.64 3bmx s GLY 330 CO 0.01 0.59 1.48 -1.61 0.00 0.00 0.00 173.10 173.57 3bmx h GLN 331 N -1.48 0.16 -0.36 2.90 4.15 -1.93 0.49 115.11 119.05 3bmx h GLN 331 Ca -0.47 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 58.84 3bmx h GLN 331 Cb 1.26 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 3bmx h GLN 331 CO 0.51 0.40 -0.03 0.93 -1.93 0.00 0.00 178.83 178.71 3bmx h GLU 332 N -0.11 0.65 -0.95 1.69 5.08 -1.93 -3.13 114.58 115.89 3bmx h GLU 332 Ca 0.03 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3bmx h GLU 332 Cb 0.33 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3bmx h GLU 332 CO 0.00 0.78 0.61 1.49 -1.00 0.00 0.00 179.01 180.90 3bmx h GLU 333 N 0.45 1.13 -0.71 2.33 4.81 -1.90 -1.48 114.58 119.21 3bmx h GLU 333 Ca 0.10 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 3bmx h GLU 333 Cb 0.51 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3bmx h GLU 333 CO 0.02 0.75 0.17 0.00 -0.73 0.00 0.00 179.01 179.22 3bmx h ALA 334 N 1.40 0.95 -0.10 2.92 0.00 -0.85 0.60 119.26 124.19 3bmx h ALA 334 Ca 0.39 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3bmx h ALA 334 Cb 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3bmx h ALA 334 CO -0.14 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 180.01 3bmx h VAL 335 N 1.08 1.32 -0.61 0.00 2.07 -1.38 -0.91 116.25 117.81 3bmx h VAL 335 Ca 0.22 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3bmx h VAL 335 Cb 0.38 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3bmx h VAL 335 CO 0.00 0.30 0.40 0.58 0.02 0.00 0.00 177.57 178.87 3bmx h VAL 336 N -0.15 1.14 -0.60 2.57 2.07 -1.09 -1.39 116.25 118.80 3bmx h VAL 336 Ca 0.02 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3bmx h VAL 336 Cb 0.50 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3bmx h VAL 336 CO 0.01 0.15 0.14 0.24 0.02 0.00 0.00 177.57 178.13 3bmx h MET 337 N 0.80 0.94 -0.46 1.57 2.07 -0.82 0.25 114.93 119.28 3bmx h MET 337 Ca 0.23 -0.21 -0.06 0.00 -2.07 0.00 0.00 59.70 57.60 3bmx h MET 337 Cb -0.07 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 29.51 3bmx h MET 337 CO -0.06 0.84 0.06 0.00 1.07 0.00 0.00 176.91 178.82 3bmx h ALA 338 N 1.25 0.61 -0.45 6.32 0.00 -0.71 -0.67 119.26 125.61 3bmx h ALA 338 Ca 0.19 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3bmx h ALA 338 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3bmx h ALA 338 CO 0.00 0.35 -0.04 0.28 0.00 0.00 0.00 179.25 179.84 3bmx h VAL 339 N 0.63 1.27 -0.79 0.00 2.07 -1.05 -1.92 116.25 116.45 3bmx h VAL 339 Ca 0.14 -1.11 0.12 0.00 0.82 0.00 0.00 66.70 66.66 3bmx h VAL 339 Cb 0.41 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 3bmx h VAL 339 CO 0.01 0.38 0.52 0.11 0.02 0.00 0.00 177.57 178.61 3bmx h LYS 340 N 0.67 0.62 0.00 1.57 1.57 -0.78 -0.01 116.57 120.21 3bmx h LYS 340 Ca 0.12 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3bmx h LYS 340 Cb 0.55 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3bmx h LYS 340 CO 0.03 0.41 -0.00 0.00 -0.57 0.00 0.00 179.45 179.32 3bmx h ALA 341 N 1.62 1.00 0.00 3.86 0.00 -0.40 -3.45 119.26 121.88 3bmx h ALA 341 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3bmx h ALA 341 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3bmx h ALA 341 CO -0.15 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.52 3bmx n GLY 342 N 0.11 1.24 3.78 0.00 0.00 -0.02 -2.95 105.19 107.35 3bmx n GLY 342 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3bmx n GLY 342 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bmx s VAL 343 N -2.00 3.37 -0.15 1.61 -7.23 -0.79 -4.86 120.40 110.35 3bmx s VAL 343 Ca 0.00 0.76 0.12 0.00 -1.81 0.00 0.00 61.98 61.05 3bmx s VAL 343 Cb 0.00 -3.28 -0.23 0.00 0.56 0.00 0.00 36.38 33.43 3bmx s VAL 343 CO 0.00 -0.27 0.25 0.47 -0.31 0.00 0.00 175.10 175.25 3bmx n ASP 344 N -1.64 0.73 -4.01 4.85 8.00 0.17 -4.53 116.55 120.13 3bmx n ASP 344 Ca 0.11 0.14 -0.25 0.00 0.71 0.00 0.00 54.79 55.49 3bmx n ASP 344 Cb 0.52 0.31 -0.17 0.00 -0.02 0.00 0.00 41.12 41.76 3bmx n ASP 344 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bmx s ILE 345 N -2.54 1.16 -0.39 0.53 1.01 -0.64 -4.48 121.20 115.85 3bmx s ILE 345 Ca -0.13 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.86 3bmx s ILE 345 Cb 0.07 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.48 3bmx s ILE 345 CO 0.79 0.37 0.62 0.00 0.00 0.00 0.00 174.94 176.72 3bmx s ALA 346 N 0.86 3.42 -0.12 9.38 0.00 0.33 -1.61 121.76 134.01 3bmx s ALA 346 Ca -0.11 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.63 3bmx s ALA 346 Cb -0.15 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3bmx s ALA 346 CO 0.01 -1.49 0.65 -1.17 0.00 0.00 0.00 175.76 173.76 3bmx s LEU 347 N 2.71 4.25 -1.14 0.00 2.96 -1.26 -1.27 118.68 124.92 3bmx s LEU 347 Ca 0.23 1.02 -0.15 0.00 -0.22 0.00 0.00 54.13 55.01 3bmx s LEU 347 Cb -0.14 -2.97 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 3bmx s LEU 347 CO 0.16 -0.16 0.81 0.23 -1.32 0.00 0.00 176.35 176.06 3bmx n MET 348 N 4.25 -1.88 0.22 1.98 2.81 0.23 -1.36 117.12 123.37 3bmx n MET 348 Ca -0.02 0.57 0.09 0.00 -1.81 0.00 0.00 57.70 56.53 3bmx n MET 348 Cb 0.51 -4.64 0.48 0.00 -0.71 0.00 0.00 33.22 28.85 3bmx n MET 348 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3bmx h PRO 349 N -1.70 0.00 -2.00 0.03 0.13 -1.80 -3.24 132.00 123.43 3bmx h PRO 349 Ca -0.65 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.43 3bmx h PRO 349 Cb 1.35 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.28 3bmx h PRO 349 CO 0.48 0.24 0.17 0.00 -0.23 0.00 0.00 178.00 178.66 3bmx s ALA 350 N -3.76 -1.78 -0.38 -0.56 0.00 -1.26 -4.87 121.76 109.15 3bmx s ALA 350 Ca -0.00 1.64 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 3bmx s ALA 350 Cb 0.11 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3bmx s ALA 350 CO 0.64 -0.36 0.40 0.45 0.00 0.00 0.00 175.76 176.89 3bmx s SER 351 N -0.48 6.18 -0.27 0.00 0.15 -1.26 -4.78 113.70 113.23 3bmx s SER 351 Ca -0.06 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 3bmx s SER 351 Cb -0.02 -2.21 0.04 0.00 -1.71 0.00 0.00 66.02 62.12 3bmx s SER 351 CO 0.06 -0.46 -0.05 -0.69 1.20 0.00 0.00 173.24 173.30 3bmx s VAL 352 N 2.06 2.76 -1.17 4.45 1.01 -1.26 -4.97 120.40 123.28 3bmx s VAL 352 Ca 0.12 -1.33 0.10 0.00 0.00 0.00 0.00 61.98 60.87 3bmx s VAL 352 Cb -0.17 -2.53 0.13 0.00 0.00 0.00 0.00 36.38 33.81 3bmx s VAL 352 CO 0.12 0.01 0.92 0.35 0.00 0.00 0.00 175.10 176.51 3bmx n THR 353 N 4.59 0.24 -3.70 3.92 -2.24 -1.26 -4.92 114.28 110.91 3bmx n THR 353 Ca -0.14 -0.62 -0.09 0.00 -2.27 0.00 0.00 64.05 60.93 3bmx n THR 353 Cb 0.44 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 3bmx n THR 353 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3bmx s SER 354 N -0.89 -0.36 0.56 3.42 1.04 -1.26 0.05 113.70 116.26 3bmx s SER 354 Ca 0.14 -0.39 0.29 0.00 0.48 0.00 0.00 55.95 56.48 3bmx s SER 354 Cb 0.09 0.67 1.69 0.00 0.10 0.00 0.00 66.02 68.57 3bmx s SER 354 CO 0.13 -1.19 2.19 -0.07 0.98 0.00 0.00 173.24 175.27 3bmx h LEU 355 N 2.00 0.00 -0.47 2.42 3.38 -1.95 -1.73 115.31 118.96 3bmx h LEU 355 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3bmx h LEU 355 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3bmx h LEU 355 CO 0.28 0.05 0.00 0.29 0.09 0.00 0.00 178.44 179.15 3bmx n LYS 356 N -3.75 0.14 -0.18 1.13 5.02 -1.26 -2.17 118.16 117.08 3bmx n LYS 356 Ca -0.03 0.36 0.07 0.00 -2.02 0.00 0.00 58.31 56.70 3bmx n LYS 356 Cb 0.14 -1.76 0.17 0.00 -0.02 0.00 0.00 35.03 33.56 3bmx n LYS 356 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3bmx n GLU 357 N -2.02 2.55 0.28 1.97 1.02 -0.65 -4.72 120.64 119.06 3bmx n GLU 357 Ca 0.03 -2.05 0.14 0.00 -0.02 0.00 0.00 57.16 55.26 3bmx n GLU 357 Cb 0.22 -1.32 0.79 0.00 -0.02 0.00 0.00 31.44 31.11 3bmx n GLU 357 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3bmx h GLU 358 N 2.52 0.00 0.00 3.49 -0.00 -1.48 -1.88 114.58 117.24 3bmx h GLU 358 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3bmx h GLU 358 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.50 3bmx h GLU 358 CO 0.00 0.09 0.00 1.96 -0.00 0.00 0.00 179.01 181.06 3bmx h GLN 359 N 0.00 0.00 -0.86 1.06 1.08 -1.84 -1.89 115.11 112.66 3bmx h GLN 359 Ca -0.00 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.27 3bmx h GLN 359 Cb 0.28 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.65 3bmx h GLN 359 CO 0.01 0.00 0.56 0.87 -0.95 0.00 0.00 178.83 179.32 3bmx h LYS 360 N 0.00 0.89 -0.27 1.46 1.57 -1.73 0.25 116.57 118.74 3bmx h LYS 360 Ca 0.00 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3bmx h LYS 360 Cb 0.14 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3bmx h LYS 360 CO 0.00 0.59 -0.15 0.74 -0.57 0.00 0.00 179.45 180.06 3bmx h PHE 361 N 0.92 0.67 -0.65 -1.35 0.04 -1.56 -2.46 116.94 112.54 3bmx h PHE 361 Ca 0.38 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.99 3bmx h PHE 361 Cb 0.29 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 3bmx h PHE 361 CO -0.00 0.83 0.43 0.00 -0.60 0.00 0.00 178.31 178.98 3bmx h ALA 362 N 0.73 1.56 -0.16 2.45 0.00 -1.44 -0.92 119.26 121.50 3bmx h ALA 362 Ca 0.06 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3bmx h ALA 362 Cb 0.67 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3bmx h ALA 362 CO 0.04 0.40 -0.58 0.00 0.00 0.00 0.00 179.25 179.11 3bmx h ARG 363 N 0.86 0.51 -0.24 0.00 3.08 -0.85 0.21 114.38 117.95 3bmx h ARG 363 Ca 0.24 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3bmx h ARG 363 Cb -0.06 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3bmx h ARG 363 CO -0.06 0.95 0.07 0.28 -1.07 0.00 0.00 179.97 180.14 3bmx h VAL 364 N 0.39 1.20 -0.69 2.04 2.07 -0.95 -1.23 116.25 119.08 3bmx h VAL 364 Ca 0.00 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3bmx h VAL 364 Cb 1.12 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3bmx h VAL 364 CO 0.11 0.21 0.40 0.40 0.02 0.00 0.00 177.57 178.70 3bmx h ILE 365 N 0.21 1.21 -0.70 4.57 1.08 -0.98 -1.94 117.51 120.96 3bmx h ILE 365 Ca 0.08 -0.48 -0.06 0.00 -0.39 0.00 0.00 64.86 64.00 3bmx h ILE 365 Cb 0.25 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 3bmx h ILE 365 CO -0.00 0.22 0.19 -0.61 -0.69 0.00 0.00 178.15 177.26 3bmx h GLN 366 N 0.94 1.10 -0.75 2.37 5.75 -0.83 0.38 115.11 124.07 3bmx h GLN 366 Ca 0.25 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3bmx h GLN 366 Cb -0.00 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 3bmx h GLN 366 CO -0.04 0.96 0.32 0.00 -2.65 0.00 0.00 178.83 177.41 3bmx h ALA 367 N 1.15 0.98 -0.56 3.38 0.00 -0.81 -0.47 119.26 122.93 3bmx h ALA 367 Ca 0.22 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3bmx h ALA 367 Cb 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3bmx h ALA 367 CO -0.00 0.59 0.17 -0.07 0.00 0.00 0.00 179.25 179.93 3bmx h LEU 368 N 1.08 0.83 -0.96 0.00 3.38 -0.89 -2.32 115.31 116.43 3bmx h LEU 368 Ca 0.25 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3bmx h LEU 368 Cb 0.19 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3bmx h LEU 368 CO -0.02 0.82 0.38 0.11 0.09 0.00 0.00 178.44 179.81 3bmx h LYS 369 N 0.79 1.12 -0.73 1.13 1.57 -0.37 -1.12 116.57 118.96 3bmx h LYS 369 Ca 0.18 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3bmx h LYS 369 Cb 0.30 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3bmx h LYS 369 CO -0.00 0.86 0.30 0.93 -0.57 0.00 0.00 179.45 180.97 3bmx h GLU 370 N 1.11 1.09 -0.21 3.15 4.39 -0.92 0.65 114.58 123.86 3bmx h GLU 370 Ca 0.27 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 3bmx h GLU 370 Cb 0.11 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3bmx h GLU 370 CO -0.03 0.89 -0.20 0.00 -1.16 0.00 0.00 179.01 178.51 3bmx h ALA 371 N 1.15 1.27 -0.13 3.43 0.00 -0.84 -1.30 119.26 122.84 3bmx h ALA 371 Ca 0.25 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3bmx h ALA 371 Cb 0.21 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3bmx h ALA 371 CO -0.02 0.48 -0.71 0.28 0.00 0.00 0.00 179.25 179.28 3bmx h VAL 372 N 0.33 1.31 -0.89 0.00 2.07 -0.82 -1.26 116.25 117.00 3bmx h VAL 372 Ca 0.06 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 3bmx h VAL 372 Cb 0.55 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 3bmx h VAL 372 CO 0.04 0.61 0.49 0.50 0.02 0.00 0.00 177.57 179.22 3bmx h LYS 373 N 0.39 1.24 0.00 1.57 3.64 -0.62 -1.98 116.57 120.81 3bmx h LYS 373 Ca -0.05 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3bmx h LYS 373 Cb 1.35 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3bmx h LYS 373 CO 0.15 0.91 -0.05 0.09 -2.27 0.00 0.00 179.45 178.27 3bmx n ASN 374 N -4.34 0.06 0.00 4.20 3.02 -0.51 -4.92 115.26 112.76 3bmx n ASN 374 Ca 0.09 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 3bmx n ASN 374 Cb 0.10 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 3bmx n ASN 374 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bmx n GLY 375 N 1.50 1.14 0.29 7.41 0.00 -0.74 -4.92 105.19 109.86 3bmx n GLY 375 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 3bmx n GLY 375 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bmx h ASP 376 N 0.00 0.43 -3.72 1.61 3.32 -1.52 -3.26 116.42 113.27 3bmx h ASP 376 Ca 0.00 -0.03 -0.67 0.00 0.02 0.00 0.00 57.03 56.35 3bmx h ASP 376 Cb 0.00 -0.11 -0.37 0.00 0.22 0.00 0.00 39.33 39.07 3bmx h ASP 376 CO 0.00 0.37 -0.71 -0.63 -1.72 0.00 0.00 179.24 176.54 3bmx s ILE 377 N -5.31 2.49 0.38 0.35 1.01 -0.64 -4.96 121.20 114.52 3bmx s ILE 377 Ca -0.08 -1.98 -0.28 0.00 0.00 0.00 0.00 60.65 58.32 3bmx s ILE 377 Cb 0.17 -2.66 -0.11 0.00 0.01 0.00 0.00 42.46 39.87 3bmx s ILE 377 CO 0.73 -0.39 1.49 -2.84 0.00 0.00 0.00 174.94 173.93 3bmx s PRO 378 N 1.04 4.07 0.53 2.79 0.02 -1.23 -3.98 135.00 138.23 3bmx s PRO 378 Ca 0.03 2.57 0.22 0.00 0.02 0.00 0.00 61.00 63.84 3bmx s PRO 378 Cb -0.20 -2.94 1.37 0.00 0.02 0.00 0.00 34.50 32.75 3bmx s PRO 378 CO -0.06 -0.57 2.08 1.49 -0.33 0.00 0.00 177.00 179.61 3bmx h GLU 379 N 2.93 0.00 -0.10 5.54 4.81 -1.93 -0.19 114.58 125.64 3bmx h GLU 379 Ca -0.51 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 3bmx h GLU 379 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3bmx h GLU 379 CO 0.64 0.00 -0.21 0.37 -0.73 0.00 0.00 179.01 179.08 3bmx h GLN 380 N 0.00 0.17 -0.42 1.92 5.75 -1.99 -0.64 115.11 119.90 3bmx h GLN 380 Ca 0.12 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 3bmx h GLN 380 Cb 0.50 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 3bmx h GLN 380 CO -0.00 0.38 0.18 0.37 -2.65 0.00 0.00 178.83 177.12 3bmx h GLN 381 N 0.16 0.61 -0.39 1.69 4.15 -1.38 -0.66 115.11 119.29 3bmx h GLN 381 Ca 0.03 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.38 3bmx h GLN 381 Cb 0.47 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 3bmx h GLN 381 CO 0.03 0.55 0.18 0.82 -1.93 0.00 0.00 178.83 178.48 3bmx h ILE 382 N 0.53 0.96 -0.68 2.39 1.08 -1.25 -1.30 117.51 119.25 3bmx h ILE 382 Ca 0.14 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.50 3bmx h ILE 382 Cb 0.15 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 3bmx h ILE 382 CO -0.01 0.07 0.44 0.78 -0.69 0.00 0.00 178.15 178.74 3bmx h ASN 383 N 0.37 0.75 -0.67 1.72 2.35 -0.90 -0.32 115.58 118.89 3bmx h ASN 383 Ca 0.17 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3bmx h ASN 383 Cb 0.09 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3bmx h ASN 383 CO -0.13 0.54 0.20 0.78 -1.65 0.00 0.00 177.43 177.17 3bmx h ASN 384 N 0.89 0.99 -0.31 5.81 2.35 -0.84 0.38 115.58 124.86 3bmx h ASN 384 Ca 0.26 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3bmx h ASN 384 Cb -0.07 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 3bmx h ASN 384 CO -0.07 0.94 0.12 0.28 -1.65 0.00 0.00 177.43 177.06 3bmx h SER 385 N 0.99 0.42 -0.24 5.81 0.02 -0.70 -1.84 113.55 118.01 3bmx h SER 385 Ca 0.22 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3bmx h SER 385 Cb 0.31 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3bmx h SER 385 CO -0.01 0.47 -0.10 0.58 -1.14 0.00 0.00 176.83 176.64 3bmx h VAL 386 N 0.35 1.24 -0.80 2.27 2.07 -0.80 -2.07 116.25 118.51 3bmx h VAL 386 Ca 0.10 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3bmx h VAL 386 Cb 0.18 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3bmx h VAL 386 CO -0.01 0.36 0.46 -0.33 0.02 0.00 0.00 177.57 178.07 3bmx h GLU 387 N 0.58 1.10 -0.58 1.57 5.08 -0.74 0.16 114.58 121.75 3bmx h GLU 387 Ca 0.11 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3bmx h GLU 387 Cb 0.52 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3bmx h GLU 387 CO 0.03 0.78 0.29 0.00 -1.00 0.00 0.00 179.01 179.12 3bmx h ARG 388 N 1.11 0.83 -0.01 2.33 3.08 -0.74 0.11 114.38 121.09 3bmx h ARG 388 Ca 0.29 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3bmx h ARG 388 Cb -0.01 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 3bmx h ARG 388 CO -0.05 0.66 0.00 0.82 -1.07 0.00 0.00 179.97 180.33 3bmx h ILE 389 N 0.79 1.19 -0.79 2.04 2.04 -0.85 -1.70 117.51 120.23 3bmx h ILE 389 Ca 0.20 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 3bmx h ILE 389 Cb 0.09 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3bmx h ILE 389 CO -0.03 0.15 0.32 0.40 0.00 0.00 0.00 178.15 178.99 3bmx h ILE 390 N -0.22 1.26 -0.75 -0.67 1.08 -0.90 -1.39 117.51 115.92 3bmx h ILE 390 Ca 0.00 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 3bmx h ILE 390 Cb 0.24 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.27 3bmx h ILE 390 CO 0.00 0.33 0.48 -1.28 -0.69 0.00 0.00 178.15 176.99 3bmx h SER 391 N 1.14 0.88 -0.62 1.72 0.87 -0.69 -0.44 113.55 116.41 3bmx h SER 391 Ca 0.26 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 3bmx h SER 391 Cb 0.21 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3bmx h SER 391 CO -0.02 0.66 0.09 0.25 -0.53 0.00 0.00 176.83 177.27 3bmx h LEU 392 N 1.02 1.00 -1.07 2.23 5.85 -0.93 0.73 115.31 124.14 3bmx h LEU 392 Ca 0.27 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3bmx h LEU 392 Cb -0.08 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.64 3bmx h LEU 392 CO -0.06 1.01 0.63 0.11 -0.34 0.00 0.00 178.44 179.80 3bmx h LYS 393 N 0.94 1.25 -0.17 1.25 1.57 -0.71 -1.16 116.57 119.55 3bmx h LYS 393 Ca 0.19 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3bmx h LYS 393 Cb 0.45 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3bmx h LYS 393 CO 0.02 0.83 -0.11 0.82 -0.57 0.00 0.00 179.45 180.43 3bmx h ILE 394 N 1.28 1.33 -0.87 1.86 2.04 -0.77 0.12 117.51 122.49 3bmx h ILE 394 Ca 0.35 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 65.03 3bmx h ILE 394 Cb -0.14 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 3bmx h ILE 394 CO -0.08 0.36 0.56 0.50 0.00 0.00 0.00 178.15 179.50 3bmx h LYS 395 N 0.03 1.05 -0.60 2.37 3.64 -0.45 -1.90 116.57 120.71 3bmx h LYS 395 Ca 0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3bmx h LYS 395 Cb 0.62 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3bmx h LYS 395 CO 0.03 0.70 0.00 0.54 -2.27 0.00 0.00 179.45 178.45 3bmx n ARG 396 N -4.55 2.73 -1.43 1.90 5.12 -0.47 -4.93 116.66 115.03 3bmx n ARG 396 Ca 0.11 -2.14 -0.05 0.00 -1.93 0.00 0.00 57.85 53.84 3bmx n ARG 396 Cb 0.10 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 29.78 3bmx n ARG 396 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bmx n GLY 397 N 1.18 0.61 0.11 -0.13 0.00 -0.72 -4.78 105.19 101.46 3bmx n GLY 397 Ca 0.20 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 3bmx n GLY 397 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3bmx h MET 398 N 0.00 0.00 -2.56 1.61 2.86 -1.02 -3.40 114.93 112.42 3bmx h MET 398 Ca -0.12 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.29 3bmx h MET 398 Cb 0.57 0.00 -0.33 0.00 0.06 0.00 0.00 31.60 31.90 3bmx h MET 398 CO 0.16 0.61 -0.55 -0.47 1.06 0.00 0.00 176.91 177.72 3bmx s TYR 399 N -2.87 -0.46 0.67 -0.22 5.04 -0.94 -3.35 117.35 115.23 3bmx s TYR 399 Ca 0.02 0.71 -0.16 0.00 -2.44 0.00 0.00 57.07 55.20 3bmx s TYR 399 Cb 0.08 -0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.27 3bmx s TYR 399 CO 0.78 -0.51 1.18 -2.14 -1.34 0.00 0.00 175.55 173.52 3bmx s PRO 400 N 2.42 2.55 0.37 4.97 0.02 -1.26 -4.01 135.00 140.05 3bmx s PRO 400 Ca 0.05 1.67 -0.28 0.00 0.02 0.00 0.00 61.00 62.46 3bmx s PRO 400 Cb -0.14 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 3bmx s PRO 400 CO -0.11 -1.50 1.47 0.00 -0.33 0.00 0.00 177.00 176.53 3bmx s ALA 401 N -1.98 3.57 -0.04 -1.55 0.00 -1.21 -4.93 121.76 115.62 3bmx s ALA 401 Ca 0.73 1.54 0.14 0.00 0.00 0.00 0.00 51.96 54.37 3bmx s ALA 401 Cb -0.27 -3.60 -0.21 0.00 0.00 0.00 0.00 23.12 19.05 3bmx s ALA 401 CO 0.41 -1.01 0.26 0.54 0.00 0.00 0.00 175.76 175.96 3bmx n ARG 402 N 0.56 0.66 -3.49 0.00 1.74 -1.26 -4.96 116.66 109.91 3bmx n ARG 402 Ca 0.01 -0.11 -0.40 0.00 -0.77 0.00 0.00 57.85 56.58 3bmx n ARG 402 Cb 0.39 -1.33 -0.10 0.00 -1.02 0.00 0.00 32.46 30.40 3bmx n ARG 402 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3bmx s ASN 403 N -3.76 6.10 0.00 0.55 3.84 -1.26 -4.94 114.94 115.47 3bmx s ASN 403 Ca -0.05 -0.34 0.23 0.00 0.21 0.00 0.00 52.86 52.91 3bmx s ASN 403 Cb 0.08 -2.16 0.53 0.00 -0.55 0.00 0.00 41.25 39.16 3bmx s ASN 403 CO 0.57 -0.26 1.47 -1.54 -2.79 0.00 0.00 177.10 174.55 3bmx n SER 404 N 5.19 3.72 -4.76 -4.21 3.41 -1.26 -4.98 113.62 110.73 3bmx n SER 404 Ca -0.12 -2.00 -0.35 0.00 -0.26 0.00 0.00 58.87 56.15 3bmx n SER 404 Cb 0.50 -0.36 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 3bmx n SER 404 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3bmx s ASP 405 N -1.27 5.27 0.85 4.04 1.01 -1.26 -5.01 116.67 120.30 3bmx s ASP 405 Ca 0.44 2.22 -0.11 0.00 0.71 0.00 0.00 52.55 55.81 3bmx s ASP 405 Cb 0.24 -2.58 0.10 0.00 1.01 0.00 0.00 42.92 41.69 3bmx s ASP 405 CO 0.33 -1.53 1.10 -0.94 0.21 0.00 0.00 175.17 174.34 3bmx s SER 406 N -1.92 3.80 0.22 0.27 1.04 -1.26 -4.82 113.70 111.03 3bmx s SER 406 Ca 0.73 1.79 -0.08 0.00 0.48 0.00 0.00 55.95 58.87 3bmx s SER 406 Cb -0.26 -2.43 0.19 0.00 0.10 0.00 0.00 66.02 63.63 3bmx s SER 406 CO 0.34 -2.48 1.88 0.74 0.98 0.00 0.00 173.24 174.70 3bmx h THR 407 N -1.44 1.23 -0.74 2.02 2.02 -1.98 -0.87 112.91 113.15 3bmx h THR 407 Ca -0.46 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.26 3bmx h THR 407 Cb 1.26 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 3bmx h THR 407 CO 0.50 0.23 0.49 0.11 0.37 0.00 0.00 175.52 177.23 3bmx h LYS 408 N 1.16 0.97 -0.41 6.66 1.79 -1.99 0.62 116.57 125.38 3bmx h LYS 408 Ca 0.31 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 3bmx h LYS 408 Cb -0.08 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.33 3bmx h LYS 408 CO -0.06 0.64 0.17 0.93 -1.08 0.00 0.00 179.45 180.05 3bmx h GLU 409 N 1.00 0.62 -0.65 3.15 5.08 -1.76 -1.71 114.58 120.30 3bmx h GLU 409 Ca 0.27 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3bmx h GLU 409 Cb -0.12 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 3bmx h GLU 409 CO -0.06 0.57 0.22 0.87 -1.00 0.00 0.00 179.01 179.62 3bmx h LYS 410 N 0.53 0.98 -0.02 2.33 1.57 -0.62 -1.60 116.57 119.73 3bmx h LYS 410 Ca 0.14 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3bmx h LYS 410 Cb 0.18 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3bmx h LYS 410 CO -0.01 0.82 0.01 0.82 -0.57 0.00 0.00 179.45 180.52 3bmx h ILE 411 N 0.95 1.05 -0.79 1.86 2.04 -0.66 -0.43 117.51 121.53 3bmx h ILE 411 Ca 0.22 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3bmx h ILE 411 Cb 0.24 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3bmx h ILE 411 CO -0.01 0.04 0.52 0.00 0.00 0.00 0.00 178.15 178.70 3bmx h ALA 412 N 0.94 1.01 -0.57 1.87 0.00 -1.10 -1.09 119.26 120.32 3bmx h ALA 412 Ca 0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3bmx h ALA 412 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3bmx h ALA 412 CO -0.00 0.39 0.02 0.87 0.00 0.00 0.00 179.25 180.53 3bmx h LYS 413 N 1.05 0.99 -0.24 0.00 1.57 -1.11 -3.00 116.57 115.83 3bmx h LYS 413 Ca 0.30 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3bmx h LYS 413 Cb -0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3bmx h LYS 413 CO -0.08 0.98 -0.27 0.00 -0.57 0.00 0.00 179.45 179.51 3bmx h ALA 414 N 0.98 1.10 0.00 3.86 0.00 -0.53 -2.56 119.26 122.11 3bmx h ALA 414 Ca 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3bmx h ALA 414 Cb 0.51 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3bmx h ALA 414 CO 0.02 0.56 -0.08 0.87 0.00 0.00 0.00 179.25 180.63 3bmx h LYS 415 N 0.40 0.00 0.00 0.00 1.57 -1.07 0.70 116.57 118.17 3bmx h LYS 415 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3bmx h LYS 415 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3bmx h LYS 415 CO 0.05 0.08 -0.48 0.87 -0.57 0.00 0.00 179.45 179.40 3bmx h LYS 416 N 0.00 0.00 0.00 3.15 1.57 -1.43 -3.40 116.57 116.46 3bmx h LYS 416 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3bmx h LYS 416 Cb 0.48 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 3bmx h LYS 416 CO 0.01 0.00 -2.28 -0.89 -0.57 0.00 0.00 179.45 175.72 3bmx n ILE 417 N -2.31 1.27 -2.42 1.86 5.41 -0.71 -4.58 119.36 117.87 3bmx n ILE 417 Ca 0.03 -0.37 -0.43 0.00 1.00 0.00 0.00 62.75 62.98 3bmx n ILE 417 Cb 0.46 -1.65 -0.02 0.00 -0.71 0.00 0.00 39.64 37.72 3bmx n ILE 417 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3bmx s VAL 418 N -2.43 4.24 -0.99 1.39 1.01 0.16 -2.27 120.40 121.51 3bmx s VAL 418 Ca -0.32 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.13 3bmx s VAL 418 Cb 0.11 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3bmx s VAL 418 CO 0.44 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3bmx n GLY 419 N 3.84 0.82 3.69 4.51 0.00 -1.22 -4.82 105.19 112.00 3bmx n GLY 419 Ca 0.14 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3bmx n GLY 419 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bmx s SER 420 N -2.80 3.27 0.28 1.61 1.04 -0.96 -4.71 113.70 111.43 3bmx s SER 420 Ca 0.00 2.26 -0.03 0.00 0.48 0.00 0.00 55.95 58.67 3bmx s SER 420 Cb 0.00 -2.58 0.40 0.00 0.10 0.00 0.00 66.02 63.94 3bmx s SER 420 CO 0.00 -2.87 1.92 0.50 0.98 0.00 0.00 173.24 173.77 3bmx h LYS 421 N -1.40 1.16 -0.81 4.02 1.63 -1.91 -0.01 116.57 119.24 3bmx h LYS 421 Ca -0.45 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.26 3bmx h LYS 421 Cb 1.28 -0.26 -0.04 0.00 -0.60 0.00 0.00 32.23 32.61 3bmx h LYS 421 CO 0.44 0.77 0.41 0.37 -3.45 0.00 0.00 179.45 177.99 3bmx h GLN 422 N 1.19 1.15 -0.44 1.90 4.15 -1.97 -0.26 115.11 120.84 3bmx h GLN 422 Ca 0.38 -0.15 -0.14 0.00 0.77 0.00 0.00 58.65 59.51 3bmx h GLN 422 Cb 0.01 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 3bmx h GLN 422 CO -0.11 0.87 -0.26 0.45 -1.93 0.00 0.00 178.83 177.84 3bmx h HIS 423 N 1.15 1.09 -0.51 3.99 3.86 -1.61 -2.04 115.15 121.08 3bmx h HIS 423 Ca 0.28 -0.28 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3bmx h HIS 423 Cb 0.08 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 3bmx h HIS 423 CO 0.01 1.09 0.06 -0.07 0.86 0.00 0.00 177.93 179.89 3bmx h LEU 424 N 0.80 0.76 -0.43 2.43 3.38 -0.61 -0.65 115.31 120.99 3bmx h LEU 424 Ca 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3bmx h LEU 424 Cb 0.83 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3bmx h LEU 424 CO 0.07 0.79 0.20 0.50 0.09 0.00 0.00 178.44 180.09 3bmx h LYS 425 N 0.76 0.63 -0.56 1.13 3.64 -0.87 -0.27 116.57 121.03 3bmx h LYS 425 Ca 0.16 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3bmx h LYS 425 Cb 0.37 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3bmx h LYS 425 CO 0.01 0.55 0.34 0.00 -2.27 0.00 0.00 179.45 178.08 3bmx h ALA 426 N 1.05 0.72 -0.56 5.00 0.00 -1.03 -1.89 119.26 122.55 3bmx h ALA 426 Ca 0.15 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3bmx h ALA 426 Cb 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3bmx h ALA 426 CO -0.02 0.20 0.34 1.49 0.00 0.00 0.00 179.25 181.26 3bmx h GLU 427 N 0.76 0.64 -0.41 0.00 4.81 -0.74 -1.50 114.58 118.14 3bmx h GLU 427 Ca 0.20 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3bmx h GLU 427 Cb -0.02 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3bmx h GLU 427 CO -0.04 0.43 0.19 -0.22 -0.73 0.00 0.00 179.01 178.63 3bmx h LYS 428 N 0.66 0.60 -0.56 1.92 3.64 -0.84 -0.65 116.57 121.35 3bmx h LYS 428 Ca 0.23 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3bmx h LYS 428 Cb 0.03 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3bmx h LYS 428 CO -0.10 0.54 0.28 0.87 -2.27 0.00 0.00 179.45 178.77 3bmx h LYS 429 N 0.52 0.81 -0.40 1.90 1.57 -1.07 -0.91 116.57 118.99 3bmx h LYS 429 Ca 0.14 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3bmx h LYS 429 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3bmx h LYS 429 CO -0.02 0.65 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.37 3bmx h LEU 430 N 0.76 0.77 -0.70 2.94 3.38 -1.09 -1.41 115.31 119.97 3bmx h LEU 430 Ca 0.19 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3bmx h LEU 430 Cb 0.11 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3bmx h LEU 430 CO -0.03 0.94 0.20 0.00 0.09 0.00 0.00 178.44 179.65 3bmx h ALA 431 N 0.85 0.92 -0.47 1.53 0.00 -0.96 -2.12 119.26 119.01 3bmx h ALA 431 Ca 0.10 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3bmx h ALA 431 Cb 0.60 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3bmx h ALA 431 CO 0.04 0.62 -0.10 0.93 0.00 0.00 0.00 179.25 180.74 3bmx h GLU 432 N 1.04 0.89 -0.85 0.00 5.08 -1.06 -2.89 114.58 116.79 3bmx h GLU 432 Ca 0.22 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3bmx h GLU 432 Cb 0.33 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 3bmx h GLU 432 CO -0.00 0.98 0.56 0.87 -1.00 0.00 0.00 179.01 180.42 3bmx h LYS 433 N 0.74 1.07 0.00 2.33 1.57 -1.09 -2.95 116.57 118.23 3bmx h LYS 433 Ca 0.12 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3bmx h LYS 433 Cb 0.64 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3bmx h LYS 433 CO 0.04 0.71 -0.28 0.00 -0.57 0.00 0.00 179.45 179.34 3bmx h ALA 434 N 1.49 1.00 -2.08 3.86 0.00 -1.18 -0.23 119.26 122.12 3bmx h ALA 434 Ca 0.33 -0.26 -0.61 0.00 0.00 0.00 0.00 54.91 54.37 3bmx h ALA 434 Cb -0.04 -0.05 0.07 0.00 0.00 0.00 0.00 17.79 17.78 3bmx h ALA 434 CO -0.09 0.36 0.54 0.28 0.00 0.00 0.00 179.25 180.34 3bmx n VAL 435 N -3.43 0.63 -4.03 0.00 0.31 -1.11 -4.16 118.33 106.53 3bmx n VAL 435 Ca 0.00 -0.16 -0.34 0.00 -0.01 0.00 0.00 64.34 63.84 3bmx n VAL 435 Cb 0.47 -1.23 -0.15 0.00 -0.91 0.00 0.00 33.84 32.02 3bmx n VAL 435 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3bmx s THR 436 N 0.16 2.51 -0.21 2.52 2.01 -0.55 -1.31 115.64 120.78 3bmx s THR 436 Ca 0.74 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 61.56 3bmx s THR 436 Cb -0.75 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 3bmx s THR 436 CO 0.48 0.36 0.62 -0.69 -0.69 0.00 0.00 174.62 174.69 3bmx s VAL 437 N 1.31 5.02 -0.14 3.82 1.01 -1.26 -0.75 120.40 129.42 3bmx s VAL 437 Ca 0.02 1.15 0.13 0.00 0.00 0.00 0.00 61.98 63.28 3bmx s VAL 437 Cb -0.15 -3.93 -0.19 0.00 0.00 0.00 0.00 36.38 32.11 3bmx s VAL 437 CO -0.08 0.10 0.07 0.18 0.00 0.00 0.00 175.10 175.37 3bmx n LEU 438 N 5.18 0.00 -3.79 3.92 4.77 0.28 -0.52 117.00 126.84 3bmx n LEU 438 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 3bmx n LEU 438 Cb 0.50 0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 41.81 3bmx n LEU 438 CO 0.43 0.34 -0.11 -0.54 -1.33 0.00 0.00 177.39 176.18 3bmx s LYS 439 N -2.42 0.28 -0.49 3.23 1.02 -0.91 -4.89 119.74 115.55 3bmx s LYS 439 Ca -0.07 0.30 0.07 0.00 0.02 0.00 0.00 55.97 56.28 3bmx s LYS 439 Cb 0.05 0.14 0.19 0.00 -0.52 0.00 0.00 37.83 37.68 3bmx s LYS 439 CO 0.61 -0.04 0.67 1.21 -0.92 0.00 0.00 175.35 176.88 3bmx s ASN 440 N 0.06 -1.06 0.06 2.83 2.47 -1.19 -1.42 114.94 116.69 3bmx s ASN 440 Ca -0.01 -1.82 -0.26 0.00 0.42 0.00 0.00 52.86 51.19 3bmx s ASN 440 Cb -0.02 1.60 -0.05 0.00 -1.45 0.00 0.00 41.25 41.33 3bmx s ASN 440 CO 0.00 -0.08 0.83 -1.61 -3.72 0.00 0.00 177.10 172.52 3bmx s GLU 441 N 0.87 4.55 -1.54 0.43 2.02 0.30 -4.01 118.70 121.32 3bmx s GLU 441 Ca 0.29 1.18 -0.14 0.00 0.02 0.00 0.00 54.97 56.32 3bmx s GLU 441 Cb -0.00 -3.37 0.09 0.00 0.10 0.00 0.00 34.13 30.94 3bmx s GLU 441 CO -0.07 0.24 0.96 1.04 0.02 0.00 0.00 175.26 177.45 3bmx n GLN 442 N 2.89 -5.34 -3.85 1.61 6.02 -1.26 -1.94 117.38 115.50 3bmx n GLN 442 Ca -0.01 0.58 -0.28 0.00 -0.01 0.00 0.00 57.00 57.28 3bmx n GLN 442 Cb 0.50 -5.44 0.03 0.00 1.02 0.00 0.00 30.24 26.35 3bmx n GLN 442 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3bmx n HIS 443 N -4.65 -2.26 -0.27 1.08 8.25 -1.26 -4.86 115.22 111.26 3bmx n HIS 443 Ca 0.03 0.90 -0.02 0.00 -0.26 0.00 0.00 57.72 58.37 3bmx n HIS 443 Cb 0.53 -4.13 0.10 0.00 1.12 0.00 0.00 29.99 27.60 3bmx n HIS 443 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3bmx h THR 444 N -2.09 1.07 -2.95 1.59 2.02 -1.65 -3.40 112.91 107.50 3bmx h THR 444 Ca -0.59 -0.30 -0.64 0.00 0.77 0.00 0.00 66.41 65.65 3bmx h THR 444 Cb 1.37 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 3bmx h THR 444 CO 0.64 0.16 -0.53 -0.76 0.37 0.00 0.00 175.52 175.40 3bmx s LEU 445 N -10.20 4.17 0.46 2.58 1.43 -1.26 -3.82 118.68 112.04 3bmx s LEU 445 Ca -0.13 0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 53.00 3bmx s LEU 445 Cb 0.16 -2.58 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 3bmx s LEU 445 CO 0.77 0.24 0.98 -2.16 0.23 0.00 0.00 176.35 176.41 3bmx s PRO 446 N -2.05 4.05 0.26 1.29 0.04 -1.26 -4.88 135.00 132.44 3bmx s PRO 446 Ca 0.28 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 3bmx s PRO 446 Cb -0.12 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 3bmx s PRO 446 CO 0.20 -0.20 1.37 -0.06 0.04 0.00 0.00 177.00 178.35 3bmx s PHE 447 N -2.15 3.09 -0.53 0.56 0.08 0.58 -4.94 117.98 114.66 3bmx s PHE 447 Ca 0.64 1.18 0.06 0.00 0.12 0.00 0.00 56.93 58.93 3bmx s PHE 447 Cb -0.12 -3.73 0.22 0.00 -0.57 0.00 0.00 43.02 38.83 3bmx s PHE 447 CO 0.17 -2.24 0.57 1.63 -0.10 0.00 0.00 175.22 175.25 3bmx n LYS 448 N 1.98 1.45 -2.27 0.44 5.02 -1.26 -4.57 118.16 118.95 3bmx n LYS 448 Ca 0.05 -3.93 -0.41 0.00 -2.02 0.00 0.00 58.31 52.00 3bmx n LYS 448 Cb 0.41 -1.82 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3bmx n LYS 448 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3bmx s PRO 449 N -1.49 4.44 0.72 1.97 0.04 -1.26 -5.01 135.00 134.41 3bmx s PRO 449 Ca 0.35 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.29 3bmx s PRO 449 Cb 0.11 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.50 3bmx s PRO 449 CO -0.10 -0.13 1.08 -1.59 0.04 0.00 0.00 177.00 176.29 3bmx s LYS 450 N -0.67 2.65 0.27 4.56 -2.85 -1.26 -4.38 119.74 118.05 3bmx s LYS 450 Ca 0.52 1.09 -0.30 0.00 -1.00 0.00 0.00 55.97 56.28 3bmx s LYS 450 Cb -0.36 -1.95 -0.13 0.00 -2.06 0.00 0.00 37.83 33.34 3bmx s LYS 450 CO 0.41 -1.34 1.45 1.17 0.10 0.00 0.00 175.35 177.15 3bmx n LYS 451 N -3.20 2.26 -0.49 1.78 4.81 -1.26 -1.80 118.16 120.26 3bmx n LYS 451 Ca 0.08 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 3bmx n LYS 451 Cb 0.53 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.09 3bmx n LYS 451 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bmx n GLY 452 N 1.98 0.91 3.66 3.14 0.00 -0.10 -5.02 105.19 109.76 3bmx n GLY 452 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3bmx n GLY 452 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bmx n SER 453 N 0.00 1.50 -4.57 1.61 7.64 -0.74 -4.61 113.62 114.45 3bmx n SER 453 Ca 0.00 0.89 -0.38 0.00 1.01 0.00 0.00 58.87 60.39 3bmx n SER 453 Cb 0.00 -1.45 -0.11 0.00 -1.01 0.00 0.00 64.21 61.64 3bmx n SER 453 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3bmx s ARG 454 N -2.73 3.88 -0.22 1.43 0.52 -1.26 -1.12 118.95 119.45 3bmx s ARG 454 Ca 0.73 -0.36 -0.06 0.00 -0.52 0.00 0.00 55.73 55.51 3bmx s ARG 454 Cb -0.43 -3.63 -0.03 0.00 0.52 0.00 0.00 34.95 31.37 3bmx s ARG 454 CO 0.49 -0.20 0.04 0.42 0.02 0.00 0.00 175.30 176.06 3bmx s ILE 455 N 1.74 4.22 -0.21 1.52 -1.09 0.04 -0.42 121.20 127.00 3bmx s ILE 455 Ca 0.07 -0.21 -0.12 0.00 -2.23 0.00 0.00 60.65 58.15 3bmx s ILE 455 Cb -0.16 -2.94 -0.05 0.00 -1.58 0.00 0.00 42.46 37.73 3bmx s ILE 455 CO 0.10 0.39 0.23 -0.22 -1.23 0.00 0.00 174.94 174.22 3bmx s LEU 456 N 1.18 4.16 -0.24 2.97 2.96 0.02 -1.91 118.68 127.82 3bmx s LEU 456 Ca 0.04 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.19 3bmx s LEU 456 Cb -0.14 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.30 3bmx s LEU 456 CO 0.02 0.06 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.46 3bmx s ILE 457 N 0.92 3.46 -0.13 6.68 1.01 0.17 -1.28 121.20 132.03 3bmx s ILE 457 Ca 0.12 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3bmx s ILE 457 Cb -0.13 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.72 3bmx s ILE 457 CO 0.04 0.34 -0.16 -0.69 0.00 0.00 0.00 174.94 174.48 3bmx s VAL 458 N 1.47 1.59 0.21 2.92 1.01 0.26 -0.46 120.40 127.40 3bmx s VAL 458 Ca 0.05 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 3bmx s VAL 458 Cb -0.15 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.80 3bmx s VAL 458 CO -0.02 0.46 0.55 0.00 0.00 0.00 0.00 175.10 176.09 3bmx s ALA 459 N 1.15 -0.96 0.15 5.51 0.00 -0.64 -0.15 121.76 126.82 3bmx s ALA 459 Ca -0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 3bmx s ALA 459 Cb -0.14 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.85 3bmx s ALA 459 CO -0.05 -0.83 1.78 -1.35 0.00 0.00 0.00 175.76 175.31 3bmx h PRO 460 N 2.17 0.53 -6.28 0.00 0.11 -1.86 -0.92 132.00 125.75 3bmx h PRO 460 Ca -0.28 -0.04 -0.58 0.00 0.11 0.00 0.00 66.00 65.21 3bmx h PRO 460 Cb 1.26 -0.11 -0.21 0.00 0.11 0.00 0.00 31.00 32.05 3bmx h PRO 460 CO 0.35 0.39 -0.83 0.71 -0.21 0.00 0.00 178.00 178.41 3bmx s TYR 461 N -6.03 1.90 0.40 0.65 2.02 -1.26 -1.26 117.35 113.76 3bmx s TYR 461 Ca -0.13 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.22 3bmx s TYR 461 Cb 0.11 -1.02 0.82 0.00 -0.40 0.00 0.00 41.96 41.46 3bmx s TYR 461 CO 0.73 0.26 2.04 1.05 -1.57 0.00 0.00 175.55 178.05 3bmx h GLU 462 N 3.89 0.61 -0.06 -0.62 4.11 -1.97 0.18 114.58 120.73 3bmx h GLU 462 Ca -0.46 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 58.87 3bmx h GLU 462 Cb 1.18 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3bmx h GLU 462 CO 0.41 0.40 -0.23 0.93 0.07 0.00 0.00 179.01 180.60 3bmx h GLU 463 N 0.62 0.09 -0.02 1.06 5.08 -1.97 0.06 114.58 119.51 3bmx h GLU 463 Ca 0.19 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 3bmx h GLU 463 Cb 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.25 3bmx h GLU 463 CO -0.05 0.32 -0.49 1.96 -1.00 0.00 0.00 179.01 179.76 3bmx h GLN 464 N 0.09 0.37 -0.32 2.33 4.20 -1.28 -0.44 115.11 120.06 3bmx h GLN 464 Ca 0.01 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.31 3bmx h GLN 464 Cb 0.46 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3bmx h GLN 464 CO 0.03 1.04 -0.02 1.79 -0.67 0.00 0.00 178.83 181.01 3bmx h THR 465 N -0.16 1.20 -0.79 -0.54 1.35 -1.29 -2.27 112.91 110.40 3bmx h THR 465 Ca -0.06 -0.78 -0.03 0.00 -0.55 0.00 0.00 66.41 64.99 3bmx h THR 465 Cb 1.19 0.97 -0.04 0.00 -1.73 0.00 0.00 68.15 68.55 3bmx h THR 465 CO 0.10 0.27 0.36 0.00 -0.25 0.00 0.00 175.52 175.99 3bmx h ALA 466 N 1.51 1.02 -0.36 6.62 0.00 -0.94 -0.06 119.26 127.06 3bmx h ALA 466 Ca 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3bmx h ALA 466 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3bmx h ALA 466 CO 0.01 0.61 0.10 1.03 0.00 0.00 0.00 179.25 181.00 3bmx h SER 467 N 1.13 0.53 -0.32 0.00 0.87 -0.79 0.69 113.55 115.66 3bmx h SER 467 Ca 0.27 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3bmx h SER 467 Cb 0.15 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3bmx h SER 467 CO -0.03 0.61 0.20 0.40 -0.53 0.00 0.00 176.83 177.48 3bmx h ILE 468 N 0.43 1.10 -0.48 2.23 2.04 -1.27 -1.73 117.51 119.83 3bmx h ILE 468 Ca 0.11 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3bmx h ILE 468 Cb 0.28 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3bmx h ILE 468 CO -0.00 0.10 0.30 -0.08 0.00 0.00 0.00 178.15 178.47 3bmx h GLU 469 N 0.42 0.58 -0.41 2.37 4.81 -0.75 -1.40 114.58 120.20 3bmx h GLU 469 Ca 0.12 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3bmx h GLU 469 Cb -0.00 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3bmx h GLU 469 CO -0.02 0.38 -0.13 1.96 -0.73 0.00 0.00 179.01 180.47 3bmx h GLN 470 N 0.60 0.74 -0.41 1.92 1.08 -0.69 0.27 115.11 118.62 3bmx h GLN 470 Ca 0.19 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 57.06 3bmx h GLN 470 Cb -0.01 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3bmx h GLN 470 CO -0.07 0.84 -0.07 1.15 -0.95 0.00 0.00 178.83 179.73 3bmx h THR 471 N 0.67 1.27 -0.49 -0.54 2.02 -0.92 -1.28 112.91 113.64 3bmx h THR 471 Ca 0.11 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.09 3bmx h THR 471 Cb 0.60 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3bmx h THR 471 CO 0.04 0.39 0.09 0.40 0.37 0.00 0.00 175.52 176.81 3bmx h ILE 472 N 0.59 1.25 -0.90 3.11 2.04 -1.00 -1.50 117.51 121.10 3bmx h ILE 472 Ca 0.11 -0.90 0.08 0.00 1.00 0.00 0.00 64.86 65.15 3bmx h ILE 472 Cb 0.58 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 3bmx h ILE 472 CO 0.03 0.32 0.56 0.45 0.00 0.00 0.00 178.15 179.51 3bmx h HIS 473 N 0.68 1.03 -0.35 1.37 3.86 -0.78 -0.75 115.15 120.20 3bmx h HIS 473 Ca 0.15 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.28 3bmx h HIS 473 Cb 0.37 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3bmx h HIS 473 CO 0.03 0.50 -0.21 0.22 0.86 0.00 0.00 177.93 179.32 3bmx h ASP 474 N 0.99 0.69 -0.72 2.45 3.58 -0.91 -0.96 116.42 121.54 3bmx h ASP 474 Ca 0.41 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 3bmx h ASP 474 Cb 0.24 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 3bmx h ASP 474 CO -0.20 0.89 0.29 -0.07 -2.88 0.00 0.00 179.24 177.27 3bmx h LEU 475 N 0.60 1.01 -0.21 2.28 3.38 -0.16 -0.42 115.31 121.78 3bmx h LEU 475 Ca 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3bmx h LEU 475 Cb 0.69 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3bmx h LEU 475 CO 0.05 0.90 0.04 0.40 0.09 0.00 0.00 178.44 179.92 3bmx h ILE 476 N 1.07 1.22 -0.41 1.22 2.04 -0.96 0.69 117.51 122.39 3bmx h ILE 476 Ca 0.25 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3bmx h ILE 476 Cb 0.21 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3bmx h ILE 476 CO -0.02 0.23 0.16 0.50 0.00 0.00 0.00 178.15 179.02 3bmx h LYS 477 N 0.14 0.58 -0.27 2.37 3.64 -0.79 -1.32 116.57 120.92 3bmx h LYS 477 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3bmx h LYS 477 Cb 0.31 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3bmx h LYS 477 CO 0.00 0.48 0.00 0.54 -2.27 0.00 0.00 179.45 178.20 3bmx n ARG 478 N -4.38 1.92 -2.11 1.90 1.74 -0.20 -4.91 116.66 110.62 3bmx n ARG 478 Ca 0.03 -1.40 -0.14 0.00 -0.77 0.00 0.00 57.85 55.57 3bmx n ARG 478 Cb 0.15 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 3bmx n ARG 478 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3bmx n LYS 479 N 0.62 -1.10 0.06 5.56 4.76 -0.50 -4.89 118.16 122.67 3bmx n LYS 479 Ca 0.16 0.74 0.01 0.00 -2.87 0.00 0.00 58.31 56.35 3bmx n LYS 479 Cb 0.38 -4.99 -0.05 0.00 -1.84 0.00 0.00 35.03 28.52 3bmx n LYS 479 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3bmx h LYS 480 N 0.00 0.00 -4.96 1.97 1.79 -1.10 -3.46 116.57 110.81 3bmx h LYS 480 Ca -0.33 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.82 3bmx h LYS 480 Cb 1.19 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.69 3bmx h LYS 480 CO 0.40 0.34 -0.68 0.96 -1.08 0.00 0.00 179.45 179.39 3bmx s ILE 481 N -2.95 0.94 0.66 1.86 -4.36 -1.16 -5.01 121.20 111.18 3bmx s ILE 481 Ca -0.01 -2.02 -0.15 0.00 -0.26 0.00 0.00 60.65 58.21 3bmx s ILE 481 Cb 0.08 -2.08 -0.00 0.00 1.25 0.00 0.00 42.46 41.72 3bmx s ILE 481 CO 0.79 -0.54 1.11 -0.54 0.24 0.00 0.00 174.94 176.00 3bmx s LYS 482 N -3.84 2.82 0.17 0.37 -0.14 -1.26 -4.46 119.74 113.40 3bmx s LYS 482 Ca 0.22 1.38 -0.33 0.00 -1.36 0.00 0.00 55.97 55.88 3bmx s LYS 482 Cb 0.05 -1.95 -0.14 0.00 -1.68 0.00 0.00 37.83 34.11 3bmx s LYS 482 CO 0.04 -1.23 1.53 -2.30 -0.76 0.00 0.00 175.35 172.63 3bmx n PRO 483 N -2.41 2.09 -4.14 -1.68 -0.02 -1.26 -4.86 135.00 122.72 3bmx n PRO 483 Ca 0.10 0.75 -0.09 0.00 -2.02 0.00 0.00 63.50 62.24 3bmx n PRO 483 Cb 0.52 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 3bmx n PRO 483 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3bmx s VAL 484 N 0.70 0.46 0.04 -1.45 -7.23 -1.26 -0.93 120.40 110.73 3bmx s VAL 484 Ca 0.77 -1.88 -0.00 0.00 -1.81 0.00 0.00 61.98 59.06 3bmx s VAL 484 Cb -0.68 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3bmx s VAL 484 CO 0.41 -0.90 0.17 -0.94 -0.31 0.00 0.00 175.10 173.52 3bmx s SER 485 N -2.99 6.15 0.01 4.85 1.04 -0.28 -4.96 113.70 117.51 3bmx s SER 485 Ca 0.11 0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.83 3bmx s SER 485 Cb 0.07 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.31 3bmx s SER 485 CO -0.07 0.20 -0.20 -0.76 0.98 0.00 0.00 173.24 173.40 3bmx s LEU 486 N -2.27 2.09 0.07 2.42 1.43 -1.26 -0.78 118.68 120.37 3bmx s LEU 486 Ca 0.31 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3bmx s LEU 486 Cb -0.13 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 3bmx s LEU 486 CO 0.23 0.21 -0.06 -0.94 0.23 0.00 0.00 176.35 176.03 3bmx s SER 487 N -0.74 0.86 0.06 2.29 1.04 -0.80 -4.97 113.70 111.44 3bmx s SER 487 Ca 0.08 -0.84 0.08 0.00 0.48 0.00 0.00 55.95 55.75 3bmx s SER 487 Cb -0.08 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 3bmx s SER 487 CO 0.00 -0.40 -0.22 -0.54 0.98 0.00 0.00 173.24 173.05 3bmx s LYS 488 N -3.03 1.45 -0.19 4.02 1.02 -1.26 -0.66 119.74 121.10 3bmx s LYS 488 Ca 0.03 -1.03 -0.03 0.00 0.02 0.00 0.00 55.97 54.95 3bmx s LYS 488 Cb 0.00 -1.62 0.06 0.00 -0.52 0.00 0.00 37.83 35.75 3bmx s LYS 488 CO -0.04 0.41 0.05 1.41 -0.92 0.00 0.00 175.35 176.26 3bmx s MET 489 N -1.34 0.49 -0.24 1.68 -2.45 0.39 -4.93 119.30 112.89 3bmx s MET 489 Ca 0.09 -0.33 -0.14 0.00 -1.25 0.00 0.00 55.69 54.06 3bmx s MET 489 Cb -0.09 -2.04 -0.04 0.00 1.25 0.00 0.00 34.83 33.91 3bmx s MET 489 CO 0.02 -0.65 0.31 -0.80 1.05 0.00 0.00 175.02 174.95 3bmx s ASN 490 N 1.94 6.24 0.00 1.11 0.01 -1.26 -1.62 114.94 121.36 3bmx s ASN 490 Ca -0.00 0.27 0.07 0.00 -0.71 0.00 0.00 52.86 52.50 3bmx s ASN 490 Cb -0.17 -2.18 0.07 0.00 0.41 0.00 0.00 41.25 39.38 3bmx s ASN 490 CO -0.08 -0.08 0.76 2.22 -1.51 0.00 0.00 177.10 178.41 3bmx n PHE 491 N 4.80 0.02 -1.72 2.20 1.16 -0.35 -4.92 117.46 118.65 3bmx n PHE 491 Ca -0.11 -0.03 -0.43 0.00 -1.87 0.00 0.00 57.45 55.02 3bmx n PHE 491 Cb 0.51 -0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.36 3bmx n PHE 491 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3bmx n ALA 492 N 0.41 2.19 -1.30 1.98 0.00 -0.39 -1.41 120.51 121.98 3bmx n ALA 492 Ca 0.05 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 3bmx n ALA 492 Cb 0.20 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.18 3bmx n ALA 492 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3bmx n SER 493 N 2.60 -5.03 -4.80 0.00 7.64 -1.26 -4.99 113.62 107.78 3bmx n SER 493 Ca 0.11 0.26 -0.25 0.00 1.01 0.00 0.00 58.87 60.00 3bmx n SER 493 Cb 0.35 -3.43 -0.05 0.00 -1.01 0.00 0.00 64.21 60.06 3bmx n SER 493 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3bmx s GLN 494 N -2.70 2.87 -0.05 1.43 -1.52 -0.50 -4.85 119.66 114.34 3bmx s GLN 494 Ca 0.00 -0.95 -0.01 0.00 -1.95 0.00 0.00 55.36 52.45 3bmx s GLN 494 Cb 0.00 -2.60 -0.04 0.00 -0.22 0.00 0.00 33.01 30.16 3bmx s GLN 494 CO 0.00 0.46 0.03 0.54 -0.25 0.00 0.00 175.29 176.07 3bmx s VAL 495 N -1.88 4.46 -0.08 1.09 0.11 -1.26 -4.64 120.40 118.21 3bmx s VAL 495 Ca 0.31 -0.33 -0.30 0.00 -2.93 0.00 0.00 61.98 58.74 3bmx s VAL 495 Cb -0.09 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.77 3bmx s VAL 495 CO 0.24 0.50 1.42 0.12 -3.33 0.00 0.00 175.10 174.04 3bmx s PHE 496 N -1.01 2.58 0.45 1.54 2.19 -1.26 -4.99 117.98 117.48 3bmx s PHE 496 Ca 0.17 0.71 0.04 0.00 0.33 0.00 0.00 56.93 58.18 3bmx s PHE 496 Cb -0.12 -3.67 -0.05 0.00 -1.31 0.00 0.00 43.02 37.87 3bmx s PHE 496 CO 0.07 -2.56 0.02 0.15 1.83 0.00 0.00 175.22 174.72 3bmx s LYS 497 N 3.34 2.04 0.36 10.12 1.02 -1.26 -5.02 119.74 130.34 3bmx s LYS 497 Ca 0.63 -2.22 0.06 0.00 0.02 0.00 0.00 55.97 54.46 3bmx s LYS 497 Cb -0.28 -1.50 0.75 0.00 -0.52 0.00 0.00 37.83 36.28 3bmx s LYS 497 CO 0.23 -0.21 1.93 1.15 -0.92 0.00 0.00 175.35 177.53 3bmx h THR 498 N 1.62 0.98 -0.35 2.17 2.02 -2.00 -1.09 112.91 116.26 3bmx h THR 498 Ca -0.43 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 3bmx h THR 498 Cb 1.27 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3bmx h THR 498 CO 0.76 0.14 0.15 1.05 0.37 0.00 0.00 175.52 177.99 3bmx h GLU 499 N 0.76 0.48 -0.16 6.66 4.11 -1.99 -0.92 114.58 123.51 3bmx h GLU 499 Ca 0.35 -0.05 -0.21 0.00 0.07 0.00 0.00 59.36 59.52 3bmx h GLU 499 Cb 0.38 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.54 3bmx h GLU 499 CO -0.13 0.39 -0.73 0.45 0.07 0.00 0.00 179.01 179.05 3bmx h HIS 500 N 0.48 1.05 -0.48 2.06 3.86 -1.61 -2.67 115.15 117.84 3bmx h HIS 500 Ca 0.12 -0.46 -0.04 0.00 -1.16 0.00 0.00 60.37 58.83 3bmx h HIS 500 Cb 0.08 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3bmx h HIS 500 CO 0.00 1.29 0.13 1.49 0.86 0.00 0.00 177.93 181.70 3bmx h GLU 501 N 0.51 0.72 -0.65 2.45 4.81 -0.92 -1.65 114.58 119.85 3bmx h GLU 501 Ca -0.05 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 3bmx h GLU 501 Cb 1.36 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 3bmx h GLU 501 CO 0.15 0.65 0.25 -0.22 -0.73 0.00 0.00 179.01 179.11 3bmx h LYS 502 N 0.71 0.98 -0.71 1.92 3.64 -1.10 -0.36 116.57 121.65 3bmx h LYS 502 Ca 0.16 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3bmx h LYS 502 Cb 0.24 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 3bmx h LYS 502 CO -0.00 0.83 0.29 1.96 -2.27 0.00 0.00 179.45 180.25 3bmx h GLN 503 N 0.92 1.04 -0.40 1.90 4.20 -1.04 -1.59 115.11 120.15 3bmx h GLN 503 Ca 0.22 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3bmx h GLN 503 Cb 0.22 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3bmx h GLN 503 CO -0.02 0.84 0.13 0.28 -0.67 0.00 0.00 178.83 179.40 3bmx h VAL 504 N 1.02 1.21 -0.29 -0.54 2.07 -0.91 -2.03 116.25 116.77 3bmx h VAL 504 Ca 0.24 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3bmx h VAL 504 Cb 0.18 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3bmx h VAL 504 CO -0.02 0.24 0.07 0.11 0.02 0.00 0.00 177.57 177.99 3bmx h LYS 505 N 0.49 0.41 0.00 1.57 1.57 -0.74 -2.47 116.57 117.41 3bmx h LYS 505 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3bmx h LYS 505 Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3bmx h LYS 505 CO -0.01 0.39 -0.34 0.93 -0.57 0.00 0.00 179.45 179.85 3bmx h GLU 506 N 0.41 0.00 -7.19 3.15 5.08 -1.07 -3.47 114.58 111.49 3bmx h GLU 506 Ca 0.10 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.97 3bmx h GLU 506 Cb 0.16 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.47 3bmx h GLU 506 CO -0.00 0.00 0.38 0.00 -1.00 0.00 0.00 179.01 178.38 3bmx s ALA 507 N -3.22 2.78 -0.16 3.43 0.00 -0.78 -4.87 121.76 118.93 3bmx s ALA 507 Ca 0.06 0.37 0.18 0.00 0.00 0.00 0.00 51.96 52.57 3bmx s ALA 507 Cb 0.09 -3.22 -0.26 0.00 0.00 0.00 0.00 23.12 19.73 3bmx s ALA 507 CO 0.69 -0.74 0.20 -0.25 0.00 0.00 0.00 175.76 175.66 3bmx n ASP 508 N -1.96 0.09 -3.90 0.00 8.00 0.44 -4.97 116.55 114.24 3bmx n ASP 508 Ca 0.08 0.04 -0.11 0.00 0.71 0.00 0.00 54.79 55.52 3bmx n ASP 508 Cb 0.53 1.04 -0.13 0.00 -0.02 0.00 0.00 41.12 42.54 3bmx n ASP 508 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3bmx s TYR 509 N -2.66 0.07 -0.09 1.24 2.02 -0.85 -4.13 117.35 112.95 3bmx s TYR 509 Ca -0.09 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 3bmx s TYR 509 Cb 0.07 -0.05 0.02 0.00 -0.40 0.00 0.00 41.96 41.60 3bmx s TYR 509 CO 0.84 -0.06 -0.12 0.42 -1.57 0.00 0.00 175.55 175.07 3bmx s ILE 510 N -0.41 1.19 -0.21 2.71 1.01 -0.09 -0.80 121.20 124.60 3bmx s ILE 510 Ca -0.05 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 3bmx s ILE 510 Cb -0.03 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.32 3bmx s ILE 510 CO -0.00 0.38 -0.09 -0.63 0.00 0.00 0.00 174.94 174.59 3bmx s ILE 511 N 1.07 2.96 -0.11 2.92 1.01 -0.40 -1.55 121.20 127.10 3bmx s ILE 511 Ca -0.06 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3bmx s ILE 511 Cb -0.15 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3bmx s ILE 511 CO -0.01 0.46 -0.22 -0.89 0.00 0.00 0.00 174.94 174.27 3bmx s THR 512 N 1.40 1.97 -0.12 2.92 2.01 -0.38 -0.58 115.64 122.87 3bmx s THR 512 Ca 0.05 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 3bmx s THR 512 Cb -0.14 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 3bmx s THR 512 CO -0.06 0.54 0.17 -0.83 -0.69 0.00 0.00 174.62 173.75 3bmx s GLY 513 N 0.49 2.18 -0.05 4.40 0.00 0.79 -0.24 107.32 114.89 3bmx s GLY 513 Ca -0.16 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.00 3bmx s GLY 513 CO 0.06 -0.23 -0.13 -0.45 0.00 0.00 0.00 173.10 172.35 3bmx s SER 514 N -0.79 4.17 -0.14 1.64 0.15 -0.30 -4.30 113.70 114.13 3bmx s SER 514 Ca 0.15 -0.16 -0.00 0.00 0.70 0.00 0.00 55.95 56.64 3bmx s SER 514 Cb -0.12 -0.93 0.03 0.00 -1.71 0.00 0.00 66.02 63.29 3bmx s SER 514 CO 0.04 0.35 -0.07 -0.47 1.20 0.00 0.00 173.24 174.29 3bmx s TYR 515 N -0.74 1.61 0.02 3.44 6.14 -1.26 -0.48 117.35 126.08 3bmx s TYR 515 Ca 0.11 -0.91 -0.00 0.00 0.64 0.00 0.00 57.07 56.92 3bmx s TYR 515 Cb -0.11 -1.29 -0.02 0.00 0.42 0.00 0.00 41.96 40.96 3bmx s TYR 515 CO 0.01 -0.56 -0.03 0.14 0.64 0.00 0.00 175.55 175.74 3bmx s VAL 516 N 1.67 0.13 0.00 3.14 -7.23 -1.26 -4.90 120.40 111.94 3bmx s VAL 516 Ca 0.03 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 3bmx s VAL 516 Cb -0.14 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.44 3bmx s VAL 516 CO -0.08 -0.53 0.00 0.52 -0.31 0.00 0.00 175.10 174.69 3bmx n VAL 517 N 1.48 0.00 -2.57 1.32 0.31 -1.26 -2.12 118.33 115.49 3bmx n VAL 517 Ca -0.23 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.67 3bmx n VAL 517 Cb 0.55 -0.60 -0.02 0.00 -0.91 0.00 0.00 33.84 32.86 3bmx n VAL 517 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3bmx s LYS 518 N 0.00 4.27 -0.27 5.55 2.20 -1.26 -4.76 119.74 125.47 3bmx s LYS 518 Ca 0.00 1.48 -0.29 0.00 -0.36 0.00 0.00 55.97 56.80 3bmx s LYS 518 Cb 0.00 -3.67 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 3bmx s LYS 518 CO 0.00 -0.63 1.35 1.21 -0.36 0.00 0.00 175.35 176.92 3bmx s ASN 519 N 1.47 6.67 -0.41 1.43 2.47 -1.26 -4.91 114.94 120.39 3bmx s ASN 519 Ca 0.49 1.35 0.10 0.00 0.42 0.00 0.00 52.86 55.22 3bmx s ASN 519 Cb -0.18 -2.54 0.33 0.00 -1.45 0.00 0.00 41.25 37.41 3bmx s ASN 519 CO 0.11 -1.06 0.73 -0.90 -3.72 0.00 0.00 177.10 172.26 3bmx n ASP 520 N 7.60 1.36 -4.75 -4.21 5.68 -1.26 -5.06 116.55 115.91 3bmx n ASP 520 Ca 0.15 -3.08 -0.32 0.00 -0.50 0.00 0.00 54.79 51.04 3bmx n ASP 520 Cb 0.46 -0.62 0.09 0.00 -1.14 0.00 0.00 41.12 39.91 3bmx n ASP 520 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 3bmx s PRO 521 N -2.42 2.22 -0.24 0.11 0.04 -1.26 -4.98 135.00 128.48 3bmx s PRO 521 Ca 0.41 1.40 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 3bmx s PRO 521 Cb 0.31 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.97 3bmx s PRO 521 CO -0.09 -1.70 0.91 0.08 0.04 0.00 0.00 177.00 176.24 3bmx s VAL 522 N -2.53 4.78 -0.01 -0.36 1.01 -1.26 -5.02 120.40 117.01 3bmx s VAL 522 Ca 0.66 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.39 3bmx s VAL 522 Cb -0.21 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 31.99 3bmx s VAL 522 CO 0.50 -0.11 0.01 0.54 0.00 0.00 0.00 175.10 176.03 3bmx s VAL 523 N 2.96 0.03 -0.09 2.92 0.11 -1.26 -0.14 120.40 124.93 3bmx s VAL 523 Ca 0.38 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.50 3bmx s VAL 523 Cb -0.15 -0.09 0.03 0.00 -1.53 0.00 0.00 36.38 34.63 3bmx s VAL 523 CO 0.07 0.06 -0.03 0.20 -3.33 0.00 0.00 175.10 172.07 3bmx s ASN 524 N 0.50 1.79 -1.61 3.54 0.01 -0.51 -4.82 114.94 113.85 3bmx s ASN 524 Ca -0.04 -0.16 -0.14 0.00 -0.71 0.00 0.00 52.86 51.81 3bmx s ASN 524 Cb -0.07 -0.58 0.11 0.00 0.41 0.00 0.00 41.25 41.13 3bmx s ASN 524 CO -0.01 -0.17 0.77 -0.67 -1.51 0.00 0.00 177.10 175.51 3bmx n ASP 525 N 5.07 -3.14 0.00 -1.22 2.03 -1.26 -1.08 116.55 116.95 3bmx n ASP 525 Ca -0.09 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.27 3bmx n ASP 525 Cb 0.50 -3.10 0.00 0.00 -0.72 0.00 0.00 41.12 37.80 3bmx n ASP 525 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3bmx n GLY 526 N -1.57 1.40 3.54 0.27 0.00 -1.26 -5.00 105.19 102.57 3bmx n GLY 526 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3bmx n GLY 526 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bmx s VAL 527 N -3.61 5.15 0.25 1.61 1.01 -0.24 -4.43 120.40 120.13 3bmx s VAL 527 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 3bmx s VAL 527 Cb 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 3bmx s VAL 527 CO 0.00 0.16 1.28 -0.63 0.00 0.00 0.00 175.10 175.91 3bmx s ILE 528 N 1.72 3.10 -0.54 2.22 1.01 -1.26 -1.42 121.20 126.02 3bmx s ILE 528 Ca 0.06 0.98 -0.24 0.00 0.00 0.00 0.00 60.65 61.45 3bmx s ILE 528 Cb -0.16 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.72 3bmx s ILE 528 CO 0.10 0.18 0.94 -0.62 0.00 0.00 0.00 174.94 175.54 3bmx s ASP 529 N -0.06 6.36 0.00 3.58 2.15 0.80 -4.85 116.67 124.66 3bmx s ASP 529 Ca 0.53 -0.27 0.22 0.00 0.43 0.00 0.00 52.55 53.45 3bmx s ASP 529 Cb -0.37 -2.44 0.62 0.00 -0.30 0.00 0.00 42.92 40.43 3bmx s ASP 529 CO 0.43 -1.20 1.52 0.47 -0.17 0.00 0.00 175.17 176.21 3bmx n ASP 530 N 7.43 3.79 -0.02 -0.34 8.00 -1.26 -4.24 116.55 129.92 3bmx n ASP 530 Ca 0.02 -2.00 0.13 0.00 0.71 0.00 0.00 54.79 53.66 3bmx n ASP 530 Cb 0.48 -0.46 0.40 0.00 -0.02 0.00 0.00 41.12 41.52 3bmx n ASP 530 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3bmx n THR 531 N 1.59 0.00 -1.74 -3.53 -2.24 -1.26 -4.85 114.28 102.25 3bmx n THR 531 Ca 0.24 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.59 3bmx n THR 531 Cb 0.60 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 3bmx n THR 531 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3bmx s ILE 532 N -2.94 2.30 0.00 2.28 1.01 -1.26 -4.89 121.20 117.70 3bmx s ILE 532 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3bmx s ILE 532 Cb 0.18 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3bmx s ILE 532 CO 0.62 0.00 0.92 -1.54 0.00 0.00 0.00 174.94 174.94 3bmx n SER 533 N 4.73 1.79 -0.92 3.58 3.41 -1.26 -5.00 113.62 119.94 3bmx n SER 533 Ca 0.17 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 3bmx n SER 533 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3bmx n SER 533 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3bmx n ASP 534 N -0.42 1.10 -1.00 4.04 5.68 -1.26 -4.93 116.55 119.75 3bmx n ASP 534 Ca 0.00 -0.46 0.09 0.00 -0.50 0.00 0.00 54.79 53.92 3bmx n ASP 534 Cb 0.24 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.44 3bmx n ASP 534 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3bmx n SER 535 N -0.87 3.34 0.29 -1.12 3.41 -1.26 -4.62 113.62 112.79 3bmx n SER 535 Ca 0.00 -1.95 0.18 0.00 -0.26 0.00 0.00 58.87 56.84 3bmx n SER 535 Cb 0.00 -0.30 0.88 0.00 -0.26 0.00 0.00 64.21 64.53 3bmx n SER 535 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3bmx h SER 536 N 3.46 0.00 -0.57 4.04 4.64 -1.94 -2.69 113.55 120.49 3bmx h SER 536 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 3bmx h SER 536 Cb 0.87 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.54 3bmx h SER 536 CO 0.00 0.04 -0.99 0.29 -0.87 0.00 0.00 176.83 175.30 3bmx n LYS 537 N -3.25 2.56 -0.01 4.77 4.76 -1.26 -4.91 118.16 120.82 3bmx n LYS 537 Ca -0.01 -3.80 0.12 0.00 -2.87 0.00 0.00 58.31 51.75 3bmx n LYS 537 Cb 0.21 -1.90 0.55 0.00 -1.84 0.00 0.00 35.03 32.04 3bmx n LYS 537 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 3bmx h TRP 538 N 2.42 0.30 0.00 2.13 5.08 -1.76 -0.67 115.95 123.44 3bmx h TRP 538 Ca 0.08 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.06 3bmx h TRP 538 Cb 1.39 -0.10 -0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3bmx h TRP 538 CO 0.65 0.15 -0.02 0.00 -1.28 0.00 0.00 178.44 177.94 3bmx h ALA 539 N 1.75 1.09 0.00 0.11 0.00 -1.90 -2.38 119.26 117.93 3bmx h ALA 539 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3bmx h ALA 539 Cb 0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3bmx h ALA 539 CO -0.05 0.03 -1.28 0.25 0.00 0.00 0.00 179.25 178.20 3bmx n THR 540 N -3.24 0.28 -0.10 0.00 -2.24 -0.85 -4.64 114.28 103.49 3bmx n THR 540 Ca -0.02 -0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 3bmx n THR 540 Cb 0.17 -1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 67.26 3bmx n THR 540 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3bmx h VAL 541 N -0.09 1.17 0.23 2.28 2.07 -1.19 -2.60 116.25 118.11 3bmx h VAL 541 Ca -0.12 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3bmx h VAL 541 Cb 1.14 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3bmx h VAL 541 CO -0.05 0.17 -0.11 0.15 0.02 0.00 0.00 177.57 177.76 3bmx h PHE 542 N 0.37 -0.28 0.00 1.57 3.04 -1.62 -0.95 116.94 119.06 3bmx h PHE 542 Ca 0.11 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 3bmx h PHE 542 Cb 0.14 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 3bmx h PHE 542 CO -0.01 0.02 -0.24 -1.00 -2.02 0.00 0.00 178.31 175.06 3bmx h PRO 543 N -0.59 0.00 -0.35 6.41 0.13 -1.72 -0.70 132.00 135.18 3bmx h PRO 543 Ca -0.03 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 3bmx h PRO 543 Cb 0.43 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 3bmx h PRO 543 CO 0.05 0.24 -0.13 0.00 -0.23 0.00 0.00 178.00 177.93 3bmx h ARG 544 N 0.00 0.61 -0.49 0.86 3.08 -1.33 -1.16 114.38 115.95 3bmx h ARG 544 Ca -0.00 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 3bmx h ARG 544 Cb 0.45 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3bmx h ARG 544 CO 0.03 0.72 -0.18 0.00 -1.07 0.00 0.00 179.97 179.48 3bmx h ALA 545 N 1.30 0.76 -0.41 0.04 0.00 0.26 0.20 119.26 121.41 3bmx h ALA 545 Ca 0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3bmx h ALA 545 Cb 0.55 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3bmx h ALA 545 CO 0.03 0.67 0.25 0.28 0.00 0.00 0.00 179.25 180.48 3bmx h VAL 546 N 0.85 1.13 -0.44 0.00 2.07 -1.06 -1.51 116.25 117.29 3bmx h VAL 546 Ca 0.12 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3bmx h VAL 546 Cb 0.74 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3bmx h VAL 546 CO 0.06 0.13 0.28 -0.03 0.02 0.00 0.00 177.57 178.02 3bmx h MET 547 N 0.54 0.54 -0.45 1.57 -1.53 -0.90 0.16 114.93 114.87 3bmx h MET 547 Ca 0.15 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.37 3bmx h MET 547 Cb -0.01 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 30.90 3bmx h MET 547 CO -0.03 0.36 0.26 -0.22 0.14 0.00 0.00 176.91 177.42 3bmx h LYS 548 N 0.56 0.61 -0.73 0.39 3.64 -0.77 -0.01 116.57 120.26 3bmx h LYS 548 Ca 0.17 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3bmx h LYS 548 Cb -0.03 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3bmx h LYS 548 CO -0.06 0.46 0.22 0.00 -2.27 0.00 0.00 179.45 177.79 3bmx h ALA 549 N 1.12 1.01 -0.27 5.00 0.00 -0.94 -1.15 119.26 124.02 3bmx h ALA 549 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3bmx h ALA 549 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3bmx h ALA 549 CO -0.03 0.66 0.02 0.00 0.00 0.00 0.00 179.25 179.90 3bmx h ALA 550 N 1.14 0.36 -0.62 0.00 0.00 -0.41 -2.10 119.26 117.64 3bmx h ALA 550 Ca 0.23 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3bmx h ALA 550 Cb 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3bmx h ALA 550 CO -0.01 0.07 0.08 -0.07 0.00 0.00 0.00 179.25 179.32 3bmx h LEU 551 N 0.25 0.99 -1.54 0.00 3.38 -0.87 0.21 115.31 117.73 3bmx h LEU 551 Ca 0.08 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3bmx h LEU 551 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3bmx h LEU 551 CO 0.01 1.00 -0.11 -0.61 0.09 0.00 0.00 178.44 178.82 3bmx h GLN 552 N 0.97 0.16 -0.60 1.13 4.15 -1.02 -2.19 115.11 117.70 3bmx h GLN 552 Ca 0.19 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3bmx h GLN 552 Cb 0.45 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3bmx h GLN 552 CO 0.02 0.28 0.00 0.72 -1.93 0.00 0.00 178.83 177.92 3bmx n HIS 553 N -4.32 1.30 -3.47 3.99 8.25 -0.81 -4.96 115.22 115.20 3bmx n HIS 553 Ca -0.01 -0.61 -0.24 0.00 -0.26 0.00 0.00 57.72 56.60 3bmx n HIS 553 Cb 0.23 -0.21 0.06 0.00 1.12 0.00 0.00 29.99 31.20 3bmx n HIS 553 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3bmx n ASN 554 N 0.99 -6.19 -4.76 0.41 3.02 -0.52 -4.97 115.26 103.24 3bmx n ASN 554 Ca 0.24 -0.49 -0.37 0.00 -0.03 0.00 0.00 54.58 53.93 3bmx n ASN 554 Cb 0.82 -4.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.02 3bmx n ASN 554 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3bmx s LYS 555 N -6.18 4.18 0.02 3.52 -0.14 -0.05 -5.03 119.74 116.06 3bmx s LYS 555 Ca 0.52 0.30 -0.35 0.00 -1.36 0.00 0.00 55.97 55.09 3bmx s LYS 555 Cb -0.23 -3.37 -0.13 0.00 -1.68 0.00 0.00 37.83 32.41 3bmx s LYS 555 CO 0.64 0.34 1.69 -2.30 -0.76 0.00 0.00 175.35 174.96 3bmx n PRO 556 N 3.13 1.97 -3.91 -1.68 -0.02 -1.26 -4.55 135.00 128.68 3bmx n PRO 556 Ca -0.11 0.72 -0.16 0.00 -2.02 0.00 0.00 63.50 61.93 3bmx n PRO 556 Cb 0.52 -2.49 -0.16 0.00 -0.02 0.00 0.00 33.50 31.35 3bmx n PRO 556 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3bmx s PHE 557 N 2.35 0.24 -0.03 6.00 5.36 -1.26 -0.92 117.98 129.71 3bmx s PHE 557 Ca 0.87 0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.88 3bmx s PHE 557 Cb -0.75 -0.32 0.00 0.00 -0.34 0.00 0.00 43.02 41.62 3bmx s PHE 557 CO 0.47 -0.10 -0.10 0.54 -1.46 0.00 0.00 175.22 174.57 3bmx s VAL 558 N 0.80 0.88 -0.23 3.12 0.11 -0.59 -3.90 120.40 120.59 3bmx s VAL 558 Ca -0.08 -0.40 -0.09 0.00 -2.93 0.00 0.00 61.98 58.48 3bmx s VAL 558 Cb -0.11 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 3bmx s VAL 558 CO -0.02 0.28 0.12 -0.22 -3.33 0.00 0.00 175.10 171.93 3bmx s LEU 559 N 0.26 3.91 -0.27 2.54 1.98 -0.73 -1.25 118.68 125.11 3bmx s LEU 559 Ca -0.05 0.03 -0.05 0.00 -2.89 0.00 0.00 54.13 51.17 3bmx s LEU 559 Cb -0.10 -2.04 0.01 0.00 0.66 0.00 0.00 46.19 44.72 3bmx s LEU 559 CO 0.01 0.06 0.04 -0.32 -1.89 0.00 0.00 176.35 174.25 3bmx s MET 560 N 1.05 3.12 -0.07 1.98 -2.45 0.67 -1.13 119.30 122.47 3bmx s MET 560 Ca 0.06 -0.82 -0.30 0.00 -1.25 0.00 0.00 55.69 53.38 3bmx s MET 560 Cb -0.14 -3.24 -0.02 0.00 1.25 0.00 0.00 34.83 32.68 3bmx s MET 560 CO 0.04 -0.38 1.06 0.45 1.05 0.00 0.00 175.02 177.23 3bmx s SER 561 N 1.47 7.21 -0.21 1.11 0.15 0.34 -1.15 113.70 122.62 3bmx s SER 561 Ca 0.03 1.63 0.12 0.00 0.70 0.00 0.00 55.95 58.43 3bmx s SER 561 Cb -0.17 -2.56 -0.22 0.00 -1.71 0.00 0.00 66.02 61.36 3bmx s SER 561 CO 0.00 -0.45 0.00 0.18 1.20 0.00 0.00 173.24 174.17 3bmx n LEU 562 N 4.86 1.00 0.00 3.45 4.77 0.37 -1.73 117.00 129.72 3bmx n LEU 562 Ca 0.09 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3bmx n LEU 562 Cb 0.48 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3bmx n LEU 562 CO 0.53 0.64 0.00 -1.14 -1.33 0.00 0.00 177.39 176.09 3bmx n ARG 563 N -2.93 0.00 -2.44 3.23 0.63 -1.26 -0.59 116.66 113.31 3bmx n ARG 563 Ca -0.36 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.17 3bmx n ARG 563 Cb 1.10 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.97 3bmx n ARG 563 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3bmx s ASN 564 N 0.85 7.13 0.00 6.15 0.01 -0.90 -4.14 114.94 124.04 3bmx s ASN 564 Ca 0.00 2.29 0.30 0.00 -0.71 0.00 0.00 52.86 54.74 3bmx s ASN 564 Cb 0.00 -2.62 1.57 0.00 0.41 0.00 0.00 41.25 40.61 3bmx s ASN 564 CO 0.00 -0.24 2.05 -0.81 -1.51 0.00 0.00 177.10 176.59 3bmx n PRO 565 N 0.96 0.89 0.30 -0.60 -0.04 -1.26 -3.76 135.00 131.49 3bmx n PRO 565 Ca -0.00 -0.17 0.18 0.00 -0.04 0.00 0.00 63.50 63.47 3bmx n PRO 565 Cb 0.45 -1.50 0.92 0.00 -0.04 0.00 0.00 33.50 33.33 3bmx n PRO 565 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3bmx h TYR 566 N 0.41 0.00 0.00 0.54 0.05 -1.93 -1.19 116.97 114.85 3bmx h TYR 566 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3bmx h TYR 566 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 3bmx h TYR 566 CO 0.00 0.04 0.00 -0.40 -1.05 0.00 0.00 178.16 176.75 3bmx n ASP 567 N -3.31 0.00 -0.00 3.88 5.75 -1.25 -2.39 116.55 119.23 3bmx n ASP 567 Ca -0.02 0.46 0.16 0.00 -0.01 0.00 0.00 54.79 55.38 3bmx n ASP 567 Cb 0.18 -0.48 0.61 0.00 -1.03 0.00 0.00 41.12 40.40 3bmx n ASP 567 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bmx h ALA 568 N 2.39 2.26 0.00 2.12 0.00 -1.52 0.08 119.26 124.59 3bmx h ALA 568 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bmx h ALA 568 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3bmx h ALA 568 CO 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 178.86 3bmx n ALA 569 N -2.58 1.70 1.53 0.00 0.00 -1.01 -2.24 120.51 117.91 3bmx n ALA 569 Ca 0.08 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.61 3bmx n ALA 569 Cb 0.46 -1.23 0.56 0.00 0.00 0.00 0.00 19.45 19.24 3bmx n ALA 569 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bmx n ASN 570 N -1.42 1.34 -2.65 0.00 3.02 0.01 -4.35 115.26 111.21 3bmx n ASN 570 Ca 0.05 -1.47 -0.10 0.00 -0.03 0.00 0.00 54.58 53.03 3bmx n ASN 570 Cb 0.15 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.33 3bmx n ASN 570 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3bmx n PHE 571 N 0.05 1.44 0.27 3.10 3.72 -0.95 -4.88 117.46 120.22 3bmx n PHE 571 Ca 0.19 -2.71 0.14 0.00 -0.05 0.00 0.00 57.45 55.01 3bmx n PHE 571 Cb 0.32 -0.33 0.79 0.00 -0.94 0.00 0.00 39.48 39.33 3bmx n PHE 571 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3bmx h GLU 572 N 2.88 0.00 0.00 -1.08 5.08 -1.76 -2.00 114.58 117.71 3bmx h GLU 572 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3bmx h GLU 572 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3bmx h GLU 572 CO 0.49 0.08 0.00 0.93 -1.00 0.00 0.00 179.01 179.52 3bmx h GLU 573 N 0.00 0.00 -7.04 2.33 3.07 -1.96 -3.46 114.58 107.52 3bmx h GLU 573 Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 3bmx h GLU 573 Cb 0.25 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.25 3bmx h GLU 573 CO 0.01 0.00 0.49 0.00 -1.40 0.00 0.00 179.01 178.11 3bmx s ALA 574 N -3.41 2.82 -0.47 3.43 0.00 -0.75 -4.95 121.76 118.43 3bmx s ALA 574 Ca 0.05 0.99 0.23 0.00 0.00 0.00 0.00 51.96 53.22 3bmx s ALA 574 Cb 0.08 -3.42 0.09 0.00 0.00 0.00 0.00 23.12 19.87 3bmx s ALA 574 CO 0.56 -0.88 1.08 1.63 0.00 0.00 0.00 175.76 178.15 3bmx n LYS 575 N -0.93 0.41 -3.74 0.00 5.02 -1.26 -4.88 118.16 112.78 3bmx n LYS 575 Ca 0.10 0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 3bmx n LYS 575 Cb 0.48 -1.68 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 3bmx n LYS 575 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bmx s ALA 576 N -3.26 -0.29 -0.19 7.82 0.00 -1.25 -0.54 121.76 124.05 3bmx s ALA 576 Ca 0.02 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 3bmx s ALA 576 Cb 0.13 -0.52 0.06 0.00 0.00 0.00 0.00 23.12 22.79 3bmx s ALA 576 CO 0.78 -0.21 0.45 -1.17 0.00 0.00 0.00 175.76 175.61 3bmx s LEU 577 N 1.32 -0.24 0.13 0.00 0.20 -0.51 -1.78 118.68 117.80 3bmx s LEU 577 Ca -0.08 0.98 0.04 0.00 0.69 0.00 0.00 54.13 55.77 3bmx s LEU 577 Cb -0.12 1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 47.09 3bmx s LEU 577 CO -0.06 -0.20 -0.10 0.27 -0.29 0.00 0.00 176.35 175.96 3bmx s ILE 578 N 1.51 1.11 -0.04 6.68 -4.36 -0.28 -0.55 121.20 125.27 3bmx s ILE 578 Ca -0.09 -1.92 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 3bmx s ILE 578 Cb -0.08 -1.69 -0.01 0.00 1.25 0.00 0.00 42.46 41.93 3bmx s ILE 578 CO -0.14 -0.67 -0.20 0.00 0.24 0.00 0.00 174.94 174.16 3bmx s ALA 579 N -3.00 1.76 0.00 2.27 0.00 0.07 -0.51 121.76 122.36 3bmx s ALA 579 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3bmx s ALA 579 Cb 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.60 3bmx s ALA 579 CO 0.00 0.36 0.00 1.33 0.00 0.00 0.00 175.76 177.46 3bmx n VAL 580 N 2.89 0.00 -2.36 0.00 0.24 -0.70 -1.47 118.33 116.93 3bmx n VAL 580 Ca -0.17 -0.45 -0.19 0.00 -2.04 0.00 0.00 64.34 61.49 3bmx n VAL 580 Cb 0.53 0.95 -0.01 0.00 -1.47 0.00 0.00 33.84 33.84 3bmx n VAL 580 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3bmx n TYR 581 N -1.04 -0.90 -3.64 6.34 4.01 -1.25 -4.83 117.16 115.85 3bmx n TYR 581 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 3bmx n TYR 581 Cb 0.00 -3.71 -0.07 0.00 -0.31 0.00 0.00 39.34 35.26 3bmx n TYR 581 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3bmx s GLY 582 N -2.15 0.10 -0.00 2.72 0.00 0.25 -4.67 107.32 103.57 3bmx s GLY 582 Ca 0.00 3.22 0.10 0.00 0.00 0.00 0.00 44.72 48.04 3bmx s GLY 582 CO 0.00 2.48 0.40 1.97 0.00 0.00 0.00 173.10 177.95 3bmx n PHE 583 N 3.29 0.00 -2.40 1.90 1.16 -0.72 -4.16 117.46 116.53 3bmx n PHE 583 Ca -0.17 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.02 3bmx n PHE 583 Cb 0.57 -0.04 -0.03 0.00 -1.61 0.00 0.00 39.48 38.37 3bmx n PHE 583 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3bmx s LYS 584 N -2.09 4.25 0.00 3.97 1.02 -1.26 -4.82 119.74 120.82 3bmx s LYS 584 Ca 0.03 1.76 0.00 0.00 0.02 0.00 0.00 55.97 57.78 3bmx s LYS 584 Cb 0.08 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 3bmx s LYS 584 CO 0.42 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 175.13 3bmx n GLY 585 N 0.72 2.85 3.18 -3.33 0.00 -1.26 -3.88 105.19 103.46 3bmx n GLY 585 Ca 0.03 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 3bmx n GLY 585 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bmx s TYR 586 N 4.20 2.40 -0.14 1.61 6.14 -0.27 -0.29 117.35 131.00 3bmx s TYR 586 Ca 0.00 -1.02 -0.18 0.00 0.64 0.00 0.00 57.07 56.51 3bmx s TYR 586 Cb 0.00 -1.63 0.05 0.00 0.42 0.00 0.00 41.96 40.80 3bmx s TYR 586 CO 0.00 -0.43 0.48 0.00 0.64 0.00 0.00 175.55 176.23 3bmx s ALA 587 N 0.49 -1.19 -1.61 3.97 0.00 -0.26 -4.58 121.76 118.58 3bmx s ALA 587 Ca -0.16 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 3bmx s ALA 587 Cb -0.17 -0.56 0.12 0.00 0.00 0.00 0.00 23.12 22.51 3bmx s ALA 587 CO 0.06 -0.25 0.91 0.09 0.00 0.00 0.00 175.76 176.57 3bmx n ASN 588 N 2.33 -4.24 0.00 0.00 3.02 -1.26 -1.24 115.26 113.88 3bmx n ASN 588 Ca -0.15 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 3bmx n ASN 588 Cb 0.57 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 3bmx n ASN 588 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bmx n GLY 589 N -1.56 0.48 3.07 7.41 0.00 -1.26 -5.01 105.19 108.31 3bmx n GLY 589 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3bmx n GLY 589 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bmx s ARG 590 N -0.13 1.43 -0.10 1.61 3.52 -0.37 -5.11 118.95 119.80 3bmx s ARG 590 Ca 0.00 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.85 3bmx s ARG 590 Cb 0.00 -1.26 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 3bmx s ARG 590 CO 0.00 0.16 1.15 0.71 -0.81 0.00 0.00 175.30 176.51 3bmx s TYR 591 N 0.18 3.23 -0.60 5.12 1.51 -1.26 -1.10 117.35 124.43 3bmx s TYR 591 Ca -0.05 1.30 0.24 0.00 -1.01 0.00 0.00 57.07 57.56 3bmx s TYR 591 Cb -0.11 -3.36 0.45 0.00 -0.11 0.00 0.00 41.96 38.83 3bmx s TYR 591 CO 0.02 -1.02 1.46 -0.07 -1.11 0.00 0.00 175.55 174.83 3bmx h LEU 592 N 8.50 0.00 -7.33 -1.29 3.38 -0.90 -3.46 115.31 114.20 3bmx h LEU 592 Ca -0.31 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 3bmx h LEU 592 Cb 1.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 3bmx h LEU 592 CO 0.90 0.05 -0.04 -1.10 0.09 0.00 0.00 178.44 178.34 3bmx s GLN 593 N -3.17 1.04 0.00 1.13 -0.21 -1.25 -4.90 119.66 112.30 3bmx s GLN 593 Ca 0.07 -0.53 0.26 0.00 0.02 0.00 0.00 55.36 55.17 3bmx s GLN 593 Cb 0.12 0.47 0.59 0.00 1.00 0.00 0.00 33.01 35.18 3bmx s GLN 593 CO 0.69 -0.40 1.46 -0.35 -2.12 0.00 0.00 175.29 174.57 3bmx n PRO 594 N 0.04 1.03 -0.04 2.91 -0.04 -1.26 -4.54 135.00 133.10 3bmx n PRO 594 Ca -0.17 -0.69 -0.14 0.00 -0.04 0.00 0.00 63.50 62.46 3bmx n PRO 594 Cb 0.62 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 3bmx n PRO 594 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3bmx h ASN 595 N 1.67 0.32 -0.05 3.54 4.21 -1.89 -1.61 115.58 121.78 3bmx h ASN 595 Ca 0.00 -0.59 0.00 0.00 1.21 0.00 0.00 56.30 56.93 3bmx h ASN 595 Cb 0.58 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 3bmx h ASN 595 CO 0.00 0.85 0.01 0.40 -1.29 0.00 0.00 177.43 177.40 3bmx h ILE 596 N -0.20 0.99 -0.95 2.81 2.04 -1.80 -1.16 117.51 119.24 3bmx h ILE 596 Ca -0.00 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3bmx h ILE 596 Cb 0.80 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 3bmx h ILE 596 CO 0.04 0.01 0.61 -0.65 0.00 0.00 0.00 178.15 178.16 3bmx h PRO 597 N 0.04 1.05 -0.77 2.37 0.11 -1.82 -0.91 132.00 132.07 3bmx h PRO 597 Ca 0.02 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3bmx h PRO 597 Cb 0.01 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 30.85 3bmx h PRO 597 CO -0.02 0.69 0.42 0.00 -0.21 0.00 0.00 178.00 178.88 3bmx h ALA 598 N 1.49 0.99 -0.61 -0.75 0.00 -0.85 0.11 119.26 119.64 3bmx h ALA 598 Ca 0.41 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3bmx h ALA 598 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3bmx h ALA 598 CO -0.16 0.50 0.00 0.78 0.00 0.00 0.00 179.25 180.37 3bmx h GLY 599 N 1.07 1.16 1.00 0.00 0.00 -0.41 -1.80 103.07 104.08 3bmx h GLY 599 Ca 0.27 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 3bmx h GLY 599 CO -0.04 0.78 -0.05 -2.08 0.00 0.00 0.00 176.54 175.15 3bmx h VAL 600 N 0.97 1.27 -0.78 4.60 2.07 -0.77 -0.55 116.25 123.07 3bmx h VAL 600 Ca 0.17 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.65 3bmx h VAL 600 Cb 0.56 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 3bmx h VAL 600 CO 0.03 0.39 0.44 0.24 0.02 0.00 0.00 177.57 178.68 3bmx h MET 601 N 0.67 0.73 -0.47 1.57 2.86 -0.68 -2.16 114.93 117.45 3bmx h MET 601 Ca 0.12 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3bmx h MET 601 Cb 0.56 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3bmx h MET 601 CO 0.03 0.48 0.15 0.00 1.06 0.00 0.00 176.91 178.63 3bmx h ALA 602 N 1.42 0.61 -0.80 6.32 0.00 -0.76 0.95 119.26 127.00 3bmx h ALA 602 Ca 0.37 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3bmx h ALA 602 Cb 0.31 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3bmx h ALA 602 CO -0.23 0.27 0.52 0.82 0.00 0.00 0.00 179.25 180.63 3bmx h ILE 603 N 0.62 0.99 -0.64 0.00 2.04 -0.60 -1.73 117.51 118.20 3bmx h ILE 603 Ca 0.15 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3bmx h ILE 603 Cb 0.27 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3bmx h ILE 603 CO -0.00 0.15 0.00 0.49 0.00 0.00 0.00 178.15 178.78 3bmx n PHE 604 N -4.50 1.25 -1.47 1.37 3.72 -0.86 -0.31 117.46 116.67 3bmx n PHE 604 Ca 0.13 -0.53 -0.05 0.00 -0.05 0.00 0.00 57.45 56.95 3bmx n PHE 604 Cb 0.28 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 3bmx n PHE 604 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bmx n GLY 605 N 1.26 0.57 0.57 1.37 0.00 -0.65 -4.82 105.19 103.49 3bmx n GLY 605 Ca 0.24 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.53 3bmx n GLY 605 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bmx n GLN 606 N -2.40 2.74 -3.69 1.61 1.13 0.28 -4.96 117.38 112.08 3bmx n GLN 606 Ca -0.05 -1.94 -0.11 0.00 -1.94 0.00 0.00 57.00 52.95 3bmx n GLN 606 Cb 0.29 -1.24 -0.06 0.00 0.11 0.00 0.00 30.24 29.35 3bmx n GLN 606 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3bmx s ALA 607 N -0.99 -0.81 -0.40 -1.58 0.00 -1.18 -4.85 121.76 111.95 3bmx s ALA 607 Ca 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 3bmx s ALA 607 Cb 0.11 0.51 0.11 0.00 0.00 0.00 0.00 23.12 23.85 3bmx s ALA 607 CO 0.14 -0.54 0.19 0.21 0.00 0.00 0.00 175.76 175.76 3bmx s LYS 608 N -3.26 2.01 0.37 0.00 2.20 -1.26 -4.44 119.74 115.36 3bmx s LYS 608 Ca -0.00 -1.79 -0.27 0.00 -0.36 0.00 0.00 55.97 53.54 3bmx s LYS 608 Cb 0.01 -3.55 -0.10 0.00 -1.51 0.00 0.00 37.83 32.68 3bmx s LYS 608 CO -0.08 -1.04 1.35 -2.14 -0.36 0.00 0.00 175.35 173.08 3bmx s PRO 609 N 1.14 4.13 -0.01 4.03 0.02 -1.26 -4.41 135.00 138.65 3bmx s PRO 609 Ca 0.08 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.39 3bmx s PRO 609 Cb -0.22 -2.92 0.01 0.00 0.02 0.00 0.00 34.50 31.39 3bmx s PRO 609 CO -0.04 -0.40 0.80 1.63 -0.33 0.00 0.00 177.00 178.65 3bmx n LYS 610 N 0.44 1.58 -2.66 5.54 5.02 -0.24 -4.73 118.16 123.10 3bmx n LYS 610 Ca 0.02 -1.11 -0.35 0.00 -2.02 0.00 0.00 58.31 54.85 3bmx n LYS 610 Cb 0.42 -0.79 -0.05 0.00 -0.02 0.00 0.00 35.03 34.58 3bmx n LYS 610 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bmx s GLY 611 N -0.66 2.62 0.04 0.72 0.00 -0.40 -4.82 107.32 104.82 3bmx s GLY 611 Ca 0.01 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.35 3bmx s GLY 611 CO 0.00 0.94 -0.13 -0.51 0.00 0.00 0.00 173.10 173.41 3bmx s THR 612 N -1.84 1.00 0.26 0.90 -4.23 -0.74 -4.42 115.64 106.56 3bmx s THR 612 Ca 0.59 -0.98 -0.31 0.00 -1.18 0.00 0.00 61.69 59.82 3bmx s THR 612 Cb -0.17 -0.92 -0.12 0.00 1.34 0.00 0.00 72.50 72.63 3bmx s THR 612 CO 0.22 -0.05 1.63 0.18 -0.54 0.00 0.00 174.62 176.06 3bmx n LEU 613 N 1.88 4.13 -0.89 4.79 4.77 0.08 -4.22 117.00 127.54 3bmx n LEU 613 Ca -0.18 1.11 0.12 0.00 -0.03 0.00 0.00 56.01 57.03 3bmx n LEU 613 Cb 0.55 -1.57 0.27 0.00 -2.33 0.00 0.00 43.42 40.34 3bmx n LEU 613 CO 0.23 0.11 0.73 -0.81 -1.33 0.00 0.00 177.39 176.32 3bmx n PRO 614 N 2.81 2.18 -4.10 3.23 -0.04 -1.26 -0.37 135.00 137.45 3bmx n PRO 614 Ca 0.12 -1.77 -0.08 0.00 -0.04 0.00 0.00 63.50 61.73 3bmx n PRO 614 Cb 0.35 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 3bmx n PRO 614 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3bmx s VAL 615 N -1.69 0.34 0.37 0.52 -7.23 -1.26 -1.71 120.40 109.73 3bmx s VAL 615 Ca 0.35 -1.74 -0.25 0.00 -1.81 0.00 0.00 61.98 58.52 3bmx s VAL 615 Cb 0.20 -1.43 -0.09 0.00 0.56 0.00 0.00 36.38 35.63 3bmx s VAL 615 CO 0.30 -0.91 1.04 -1.81 -0.31 0.00 0.00 175.10 173.41 3bmx s ASP 616 N -2.79 6.93 -0.39 4.85 -0.00 -1.26 -3.52 116.67 120.49 3bmx s ASP 616 Ca 0.06 2.05 -0.10 0.00 -0.00 0.00 0.00 52.55 54.56 3bmx s ASP 616 Cb 0.05 -2.59 0.05 0.00 -0.00 0.00 0.00 42.92 40.43 3bmx s ASP 616 CO -0.08 -0.37 0.22 -0.63 -0.00 0.00 0.00 175.17 174.32 3bmx s ILE 617 N -1.56 4.39 0.44 0.77 -1.09 0.29 -4.93 121.20 119.51 3bmx s ILE 617 Ca 0.54 -1.10 -0.25 0.00 -2.23 0.00 0.00 60.65 57.61 3bmx s ILE 617 Cb -0.23 -3.55 -0.08 0.00 -1.58 0.00 0.00 42.46 37.01 3bmx s ILE 617 CO 0.29 -0.35 1.37 -2.84 -1.23 0.00 0.00 174.94 172.19 3bmx s PRO 618 N 1.49 3.78 0.40 2.79 0.02 -1.26 -0.61 135.00 141.62 3bmx s PRO 618 Ca 0.02 2.30 -0.26 0.00 0.02 0.00 0.00 61.00 63.08 3bmx s PRO 618 Cb -0.21 -2.68 -0.09 0.00 0.02 0.00 0.00 34.50 31.55 3bmx s PRO 618 CO 0.05 -0.70 1.27 0.45 -0.33 0.00 0.00 177.00 177.74 3bmx s SER 619 N -0.63 6.36 -0.19 2.53 0.15 -0.25 -4.50 113.70 117.18 3bmx s SER 619 Ca 0.60 2.59 -0.01 0.00 0.70 0.00 0.00 55.95 59.83 3bmx s SER 619 Cb -0.41 -2.63 -0.22 0.00 -1.71 0.00 0.00 66.02 61.05 3bmx s SER 619 CO 0.53 -0.81 0.09 0.52 1.20 0.00 0.00 173.24 174.77 3bmx n VAL 620 N 0.13 1.62 0.19 4.45 0.31 -1.26 -4.39 118.33 119.39 3bmx n VAL 620 Ca 0.04 -0.63 0.08 0.00 -0.01 0.00 0.00 64.34 63.82 3bmx n VAL 620 Cb 0.44 -1.51 0.17 0.00 -0.91 0.00 0.00 33.84 32.04 3bmx n VAL 620 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3bmx h THR 621 N 0.03 0.40 -2.79 2.52 1.35 -1.84 -3.37 112.91 109.21 3bmx h THR 621 Ca -0.50 -1.47 -0.61 0.00 -0.55 0.00 0.00 66.41 63.29 3bmx h THR 621 Cb 1.98 2.12 -0.40 0.00 -1.73 0.00 0.00 68.15 70.11 3bmx h THR 621 CO 0.00 0.22 -0.75 -0.54 -0.25 0.00 0.00 175.52 174.20 3bmx s LYS 622 N -3.18 1.72 0.31 4.72 1.02 -1.26 -4.28 119.74 118.78 3bmx s LYS 622 Ca 0.05 -2.71 -0.29 0.00 0.02 0.00 0.00 55.97 53.03 3bmx s LYS 622 Cb 0.07 -2.52 -0.12 0.00 -0.52 0.00 0.00 37.83 34.74 3bmx s LYS 622 CO 0.69 -1.31 1.43 -2.30 -0.92 0.00 0.00 175.35 172.94 3bmx n PRO 623 N 2.49 2.33 0.00 -1.68 -0.02 -1.26 -1.70 135.00 135.17 3bmx n PRO 623 Ca 0.22 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3bmx n PRO 623 Cb 0.40 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3bmx n PRO 623 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bmx n GLY 624 N 1.44 1.74 3.93 -1.23 0.00 -1.26 -5.06 105.19 104.75 3bmx n GLY 624 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3bmx n GLY 624 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bmx s ASN 625 N -2.07 6.33 -0.26 1.61 -0.87 -0.69 -5.01 114.94 113.99 3bmx s ASN 625 Ca 0.00 0.54 -0.10 0.00 -1.57 0.00 0.00 52.86 51.73 3bmx s ASN 625 Cb 0.00 -2.07 -0.05 0.00 -0.02 0.00 0.00 41.25 39.11 3bmx s ASN 625 CO 0.00 -0.28 0.15 -0.89 -2.57 0.00 0.00 177.10 173.51 3bmx s THR 626 N -2.28 5.14 -0.08 1.60 2.01 -1.26 -1.09 115.64 119.68 3bmx s THR 626 Ca 0.41 0.11 -0.25 0.00 0.31 0.00 0.00 61.69 62.27 3bmx s THR 626 Cb -0.10 -3.42 -0.21 0.00 0.01 0.00 0.00 72.50 68.78 3bmx s THR 626 CO 0.35 0.31 0.91 0.25 -0.69 0.00 0.00 174.62 175.75 3bmx h LEU 627 N 7.98 -0.04 -7.86 4.42 5.85 -1.08 -3.44 115.31 121.13 3bmx h LEU 627 Ca -0.37 -0.65 -0.54 0.00 0.84 0.00 0.00 57.88 57.16 3bmx h LEU 627 Cb 1.18 0.01 -0.35 0.00 0.37 0.00 0.00 40.66 41.87 3bmx h LEU 627 CO 0.60 0.68 -0.82 -0.31 -0.34 0.00 0.00 178.44 178.25 3bmx s TYR 628 N -3.09 1.64 0.43 1.25 2.02 -1.09 -5.01 117.35 113.50 3bmx s TYR 628 Ca -0.16 -0.77 -0.11 0.00 -0.37 0.00 0.00 57.07 55.67 3bmx s TYR 628 Cb -0.01 -1.26 -0.06 0.00 -0.40 0.00 0.00 41.96 40.23 3bmx s TYR 628 CO 0.60 -0.45 0.81 -1.25 -1.57 0.00 0.00 175.55 173.69 3bmx s PRO 629 N 1.24 3.78 0.07 -1.71 0.04 -1.26 -0.54 135.00 136.61 3bmx s PRO 629 Ca -0.03 0.53 -0.37 0.00 0.04 0.00 0.00 61.00 61.17 3bmx s PRO 629 Cb -0.14 -2.34 -0.17 0.00 0.04 0.00 0.00 34.50 31.89 3bmx s PRO 629 CO -0.04 -0.10 1.36 -0.11 0.04 0.00 0.00 177.00 178.16 3bmx n LEU 630 N -1.44 1.70 0.00 -3.56 0.00 -1.23 -1.38 117.00 111.08 3bmx n LEU 630 Ca 0.03 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.16 3bmx n LEU 630 Cb 0.54 -1.19 0.00 0.00 0.00 0.00 0.00 43.42 42.77 3bmx n LEU 630 CO 0.48 -1.01 0.00 0.61 0.00 0.00 0.00 177.39 177.47 3bmx n GLY 631 N 2.61 1.01 3.73 -3.96 0.00 0.50 -4.93 105.19 104.15 3bmx n GLY 631 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3bmx n GLY 631 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bmx s TYR 632 N -2.23 3.78 -0.22 1.61 5.04 -0.48 -4.51 117.35 120.34 3bmx s TYR 632 Ca 0.00 1.74 -0.29 0.00 -2.44 0.00 0.00 57.07 56.07 3bmx s TYR 632 Cb 0.00 -3.03 0.15 0.00 0.35 0.00 0.00 41.96 39.43 3bmx s TYR 632 CO 0.00 0.19 1.15 0.20 -1.34 0.00 0.00 175.55 175.74 3bmx s GLY 633 N 0.14 -0.11 0.08 8.97 0.00 -1.26 -0.74 107.32 114.40 3bmx s GLY 633 Ca 0.46 2.40 0.04 0.00 0.00 0.00 0.00 44.72 47.62 3bmx s GLY 633 CO 0.29 1.11 0.03 1.08 0.00 0.00 0.00 173.10 175.60 3bmx s LEU 634 N -1.00 3.61 -0.10 0.66 1.43 0.32 -0.72 118.68 122.87 3bmx s LEU 634 Ca 0.03 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 3bmx s LEU 634 Cb -0.01 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3bmx s LEU 634 CO -0.03 0.18 1.25 0.21 0.23 0.00 0.00 176.35 178.19 3bmx s ASN 635 N -2.33 6.98 0.41 2.29 3.84 0.60 -4.40 114.94 122.33 3bmx s ASN 635 Ca 0.27 1.78 0.19 0.00 0.21 0.00 0.00 52.86 55.31 3bmx s ASN 635 Cb -0.12 -2.55 0.87 0.00 -0.55 0.00 0.00 41.25 38.90 3bmx s ASN 635 CO 0.20 -0.68 1.84 -0.29 -2.79 0.00 0.00 177.10 175.38 3bmx h ILE 636 N 5.24 0.95 0.04 -5.21 2.10 -1.88 0.21 117.51 118.97 3bmx h ILE 636 Ca -0.31 -1.21 -0.24 0.00 1.08 0.00 0.00 64.86 64.18 3bmx h ILE 636 Cb 1.13 1.71 -0.02 0.00 -1.09 0.00 0.00 36.82 38.55 3bmx h ILE 636 CO 0.93 0.31 -1.16 0.11 -1.08 0.00 0.00 178.15 177.25 3bmx h LYS 637 N 0.00 0.09 0.00 2.19 1.57 -1.92 -3.38 116.57 115.11 3bmx h LYS 637 Ca -0.00 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.50 3bmx h LYS 637 Cb 0.68 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 3bmx h LYS 637 CO 0.04 1.02 -1.83 -2.37 -0.57 0.00 0.00 179.45 175.74 3bmx n THR 638 N -3.38 0.47 -0.90 -0.16 5.66 -1.04 -4.99 114.28 109.94 3bmx n THR 638 Ca -0.05 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 3bmx n THR 638 Cb 0.98 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.53 3bmx n THR 638 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3bmx n GLY 639 N 1.88 0.83 3.91 1.09 0.00 0.71 -5.01 105.19 108.60 3bmx n GLY 639 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 3bmx n GLY 639 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bmx s ARG 640 N -0.18 3.17 0.36 1.61 1.70 -1.25 -4.81 118.95 119.55 3bmx s ARG 640 Ca 0.00 -0.94 -0.28 0.00 -0.47 0.00 0.00 55.73 54.05 3bmx s ARG 640 Cb 0.00 -2.73 -0.10 0.00 -0.57 0.00 0.00 34.95 31.55 3bmx s ARG 640 CO 0.00 0.35 1.30 -2.14 -1.08 0.00 0.00 175.30 173.73 3bmx s PRO 641 N -3.95 4.23 0.00 3.89 0.02 -1.26 -0.29 135.00 137.63 3bmx s PRO 641 Ca 0.35 2.19 0.27 0.00 0.02 0.00 0.00 61.00 63.84 3bmx s PRO 641 Cb -0.08 -2.96 1.64 0.00 0.02 0.00 0.00 34.50 33.11 3bmx s PRO 641 CO 0.28 -0.29 1.98 1.28 -0.33 0.00 0.00 177.00 179.92