#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbx n SER 13 N 0.00 1.47 -0.07 4.52 3.41 -1.26 -4.75 113.62 116.94 3hbx n SER 13 Ca 0.00 -3.23 0.13 0.00 -0.26 0.00 0.00 58.87 55.52 3hbx n SER 13 Cb 0.00 -0.45 0.44 0.00 -0.26 0.00 0.00 64.21 63.94 3hbx n SER 13 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hbx n VAL 14 N -0.59 0.00 -2.35 -3.33 0.24 -1.26 -4.88 118.33 106.16 3hbx n VAL 14 Ca 0.14 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.34 62.00 3hbx n VAL 14 Cb 0.84 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.21 3hbx n VAL 14 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3hbx s HIS 15 N -2.77 3.40 0.73 6.34 0.09 -1.26 -5.03 115.29 116.79 3hbx s HIS 15 Ca 0.19 1.47 -0.12 0.00 -0.00 0.00 0.00 55.06 56.59 3hbx s HIS 15 Cb 0.19 -3.44 0.04 0.00 -0.00 0.00 0.00 32.58 29.36 3hbx s HIS 15 CO 0.58 -1.20 1.10 -1.54 -0.00 0.00 0.00 174.74 173.68 3hbx s SER 16 N -0.17 4.67 0.40 1.40 1.04 -1.26 -4.83 113.70 114.95 3hbx s SER 16 Ca 0.51 1.92 0.11 0.00 0.48 0.00 0.00 55.95 58.97 3hbx s SER 16 Cb -0.34 -2.54 0.91 0.00 0.10 0.00 0.00 66.02 64.16 3hbx s SER 16 CO 0.40 -1.92 1.94 0.71 0.98 0.00 0.00 173.24 175.34 3hbx h THR 17 N -0.67 0.89 -0.01 2.02 1.35 -1.95 0.08 112.91 114.62 3hbx h THR 17 Ca -0.45 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3hbx h THR 17 Cb 1.24 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3hbx h THR 17 CO 0.52 0.10 -0.05 0.49 -0.25 0.00 0.00 175.52 176.34 3hbx n PHE 18 N -4.49 0.00 0.86 4.73 3.72 -1.26 -2.95 117.46 118.06 3hbx n PHE 18 Ca 0.13 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.61 3hbx n PHE 18 Cb 0.39 -0.04 -0.10 0.00 -0.94 0.00 0.00 39.48 38.80 3hbx n PHE 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hbx n ALA 19 N -0.27 4.35 -1.96 4.37 0.00 -0.05 -5.01 120.51 121.95 3hbx n ALA 19 Ca 0.18 -0.52 -0.26 0.00 0.00 0.00 0.00 53.44 52.84 3hbx n ALA 19 Cb 0.30 -0.66 0.14 0.00 0.00 0.00 0.00 19.45 19.23 3hbx n ALA 19 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hbx s SER 20 N -2.70 3.87 0.00 0.00 1.04 -0.83 -4.90 113.70 110.18 3hbx s SER 20 Ca 0.07 -0.03 0.19 0.00 0.48 0.00 0.00 55.95 56.66 3hbx s SER 20 Cb 0.14 -0.23 0.58 0.00 0.10 0.00 0.00 66.02 66.61 3hbx s SER 20 CO 0.74 -2.21 1.46 -2.11 0.98 0.00 0.00 173.24 172.10 3hbx n ARG 21 N -3.23 1.98 0.14 4.02 -4.01 -1.26 -4.01 116.66 110.29 3hbx n ARG 21 Ca 0.14 -1.49 0.07 0.00 -1.04 0.00 0.00 57.85 55.53 3hbx n ARG 21 Cb 0.60 -1.41 0.05 0.00 -3.04 0.00 0.00 32.46 28.67 3hbx n ARG 21 CO 0.00 0.00 0.00 1.88 -3.04 0.00 0.00 177.63 176.47 3hbx h TYR 22 N 2.81 0.00 -0.08 2.89 0.05 -1.94 -3.16 116.97 117.53 3hbx h TYR 22 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hbx h TYR 22 Cb 0.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3hbx h TYR 22 CO 0.19 0.27 0.00 1.33 -1.05 0.00 0.00 178.16 178.90 3hbx n VAL 23 N -3.05 0.10 0.65 -2.88 0.24 -1.26 -3.38 118.33 108.76 3hbx n VAL 23 Ca 0.01 -0.23 0.11 0.00 -2.04 0.00 0.00 64.34 62.19 3hbx n VAL 23 Cb 0.65 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 3hbx n VAL 23 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hbx n ARG 24 N -0.03 0.23 -4.44 7.34 1.74 -1.19 -4.87 116.66 115.44 3hbx n ARG 24 Ca 0.17 -0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.89 3hbx n ARG 24 Cb 0.27 -1.56 -0.11 0.00 -1.02 0.00 0.00 32.46 30.04 3hbx n ARG 24 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hbx s THR 25 N -3.16 4.05 0.47 0.55 2.01 -1.22 -5.11 115.64 113.23 3hbx s THR 25 Ca 0.04 -0.33 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 3hbx s THR 25 Cb 0.15 -2.72 -0.09 0.00 0.01 0.00 0.00 72.50 69.85 3hbx s THR 25 CO 0.81 0.57 0.99 -0.94 -0.69 0.00 0.00 174.62 175.36 3hbx s SER 26 N -0.46 6.66 0.32 3.53 1.04 -1.26 -4.99 113.70 118.53 3hbx s SER 26 Ca 0.08 1.74 -0.29 0.00 0.48 0.00 0.00 55.95 57.95 3hbx s SER 26 Cb -0.12 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.35 3hbx s SER 26 CO 0.02 -0.56 1.50 -0.76 0.98 0.00 0.00 173.24 174.43 3hbx s LEU 27 N -3.49 4.35 0.28 2.42 1.43 -1.26 -4.92 118.68 117.48 3hbx s LEU 27 Ca 0.63 2.92 -0.30 0.00 -1.03 0.00 0.00 54.13 56.35 3hbx s LEU 27 Cb -0.11 -3.65 -0.13 0.00 0.03 0.00 0.00 46.19 42.33 3hbx s LEU 27 CO 0.19 -0.83 1.36 -2.65 0.23 0.00 0.00 176.35 174.65 3hbx n PRO 28 N 1.42 2.08 -0.03 1.29 -0.02 -1.26 -4.94 135.00 133.54 3hbx n PRO 28 Ca 0.04 0.74 -0.01 0.00 -2.02 0.00 0.00 63.50 62.25 3hbx n PRO 28 Cb 0.39 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 3hbx n PRO 28 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hbx n ARG 29 N 1.47 1.60 0.02 -0.52 1.74 -1.26 -4.91 116.66 114.80 3hbx n ARG 29 Ca 0.09 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3hbx n ARG 29 Cb 0.33 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 3hbx n ARG 29 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hbx n PHE 30 N -2.20 -0.10 -4.06 -1.55 3.72 -1.26 -5.07 117.46 106.94 3hbx n PHE 30 Ca -0.11 0.02 -0.34 0.00 -0.05 0.00 0.00 57.45 56.97 3hbx n PHE 30 Cb 0.63 0.06 -0.07 0.00 -0.94 0.00 0.00 39.48 39.16 3hbx n PHE 30 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3hbx s LYS 31 N -2.00 3.18 0.16 -1.08 1.02 -1.26 -5.08 119.74 114.67 3hbx s LYS 31 Ca 0.00 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 3hbx s LYS 31 Cb 0.00 -2.94 -0.08 0.00 -0.52 0.00 0.00 37.83 34.29 3hbx s LYS 31 CO 0.00 0.67 1.28 1.41 -0.92 0.00 0.00 175.35 177.80 3hbx s MET 32 N -1.61 4.41 0.62 1.68 -2.45 -1.26 -4.86 119.30 115.82 3hbx s MET 32 Ca 0.22 1.97 -0.19 0.00 -1.25 0.00 0.00 55.69 56.44 3hbx s MET 32 Cb -0.12 -3.24 -0.02 0.00 1.25 0.00 0.00 34.83 32.70 3hbx s MET 32 CO 0.13 -0.25 1.31 -2.14 1.05 0.00 0.00 175.02 175.12 3hbx s PRO 33 N 0.26 2.71 0.09 4.11 0.02 -1.26 -4.95 135.00 135.99 3hbx s PRO 33 Ca 0.58 2.12 -0.11 0.00 0.02 0.00 0.00 61.00 63.60 3hbx s PRO 33 Cb -0.35 -1.96 -0.18 0.00 0.02 0.00 0.00 34.50 32.03 3hbx s PRO 33 CO 0.35 -1.49 1.23 0.93 -0.33 0.00 0.00 177.00 177.69 3hbx h GLU 34 N 0.80 0.61 -6.38 5.54 4.39 -2.08 -3.47 114.58 114.00 3hbx h GLU 34 Ca -0.51 -0.65 -0.61 0.00 0.34 0.00 0.00 59.36 57.93 3hbx h GLU 34 Cb 1.33 0.18 -0.13 0.00 -0.10 0.00 0.00 28.75 30.04 3hbx h GLU 34 CO 0.54 1.26 -0.69 -0.80 -1.16 0.00 0.00 179.01 178.15 3hbx s ASN 35 N -7.22 4.44 0.66 1.42 0.02 -1.26 -5.12 114.94 107.87 3hbx s ASN 35 Ca -0.08 -0.54 -0.13 0.00 -1.02 0.00 0.00 52.86 51.08 3hbx s ASN 35 Cb 0.08 -0.82 -0.01 0.00 0.02 0.00 0.00 41.25 40.52 3hbx s ASN 35 CO 0.90 0.08 1.07 -0.44 0.02 0.00 0.00 177.10 178.73 3hbx s SER 36 N -2.98 5.44 0.12 -1.22 0.01 -1.26 -5.09 113.70 108.72 3hbx s SER 36 Ca 0.27 1.76 0.06 0.00 1.31 0.00 0.00 55.95 59.35 3hbx s SER 36 Cb -0.09 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3hbx s SER 36 CO 0.17 -1.40 -0.15 0.27 0.41 0.00 0.00 173.24 172.54 3hbx s ILE 37 N -2.71 1.38 0.37 1.44 -4.36 -1.26 -5.12 121.20 110.94 3hbx s ILE 37 Ca 0.62 -1.71 -0.26 0.00 -0.26 0.00 0.00 60.65 59.03 3hbx s ILE 37 Cb -0.16 -1.54 -0.12 0.00 1.25 0.00 0.00 42.46 41.89 3hbx s ILE 37 CO 0.46 -0.39 1.09 -2.65 0.24 0.00 0.00 174.94 173.69 3hbx n PRO 38 N 0.56 1.56 -0.29 0.37 -0.02 -1.26 -4.76 135.00 131.17 3hbx n PRO 38 Ca -0.16 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 61.87 3hbx n PRO 38 Cb 0.57 -2.08 0.11 0.00 -0.02 0.00 0.00 33.50 32.08 3hbx n PRO 38 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3hbx h LYS 39 N 1.90 0.91 -0.89 -0.52 2.10 -1.99 -1.59 116.57 116.50 3hbx h LYS 39 Ca -0.44 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.18 3hbx h LYS 39 Cb 1.32 -0.20 -0.05 0.00 -0.90 0.00 0.00 32.23 32.40 3hbx h LYS 39 CO 0.59 0.60 0.58 1.05 -2.00 0.00 0.00 179.45 180.28 3hbx h GLU 40 N 0.94 1.12 -0.17 0.07 9.09 -1.99 -0.52 114.58 123.11 3hbx h GLU 40 Ca 0.33 -0.07 -0.05 0.00 0.05 0.00 0.00 59.36 59.63 3hbx h GLU 40 Cb 0.09 -0.25 -0.00 0.00 -1.65 0.00 0.00 28.75 26.93 3hbx h GLU 40 CO -0.14 0.74 -0.07 0.00 0.05 0.00 0.00 179.01 179.58 3hbx h ALA 41 N 1.47 0.24 -0.71 1.06 0.00 -1.69 -1.95 119.26 117.68 3hbx h ALA 41 Ca 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hbx h ALA 41 Cb -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3hbx h ALA 41 CO -0.09 0.04 0.39 0.00 0.00 0.00 0.00 179.25 179.59 3hbx h ALA 42 N 0.69 0.91 -0.23 0.00 0.00 -1.07 -2.26 119.26 117.30 3hbx h ALA 42 Ca 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hbx h ALA 42 Cb 0.54 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hbx h ALA 42 CO 0.02 0.43 0.13 -0.92 0.00 0.00 0.00 179.25 178.91 3hbx h TYR 43 N 0.98 0.24 0.05 0.00 3.20 -1.06 -2.72 116.97 117.66 3hbx h TYR 43 Ca 0.25 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hbx h TYR 43 Cb 0.04 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3hbx h TYR 43 CO -0.00 0.14 -0.02 0.37 -1.64 0.00 0.00 178.16 177.01 3hbx h GLN 44 N 0.27 -0.06 -0.54 1.82 5.75 -1.04 -0.26 115.11 121.04 3hbx h GLN 44 Ca 0.09 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 3hbx h GLN 44 Cb 0.00 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 3hbx h GLN 44 CO -0.05 0.11 0.07 0.82 -2.65 0.00 0.00 178.83 177.14 3hbx h ILE 45 N -0.23 1.26 -0.35 2.39 2.04 -1.46 0.92 117.51 122.08 3hbx h ILE 45 Ca -0.01 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 64.80 3hbx h ILE 45 Cb 0.21 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3hbx h ILE 45 CO 0.01 0.36 -0.04 0.40 0.00 0.00 0.00 178.15 178.88 3hbx h ILE 46 N 0.79 1.27 -0.89 -0.67 2.04 -1.48 -2.16 117.51 116.42 3hbx h ILE 46 Ca 0.16 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.97 3hbx h ILE 46 Cb 0.43 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3hbx h ILE 46 CO 0.01 0.35 0.59 -1.13 0.00 0.00 0.00 178.15 177.97 3hbx h ASN 47 N 0.45 1.02 -0.22 1.72 -1.24 -0.82 -2.10 115.58 114.39 3hbx h ASN 47 Ca 0.10 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.02 3hbx h ASN 47 Cb 0.52 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 3hbx h ASN 47 CO 0.03 0.74 -0.08 0.44 -1.29 0.00 0.00 177.43 177.27 3hbx h ASP 48 N 1.20 0.45 0.02 1.15 5.19 -0.64 -3.03 116.42 120.77 3hbx h ASP 48 Ca 0.33 -0.39 -0.07 0.00 -0.62 0.00 0.00 57.03 56.28 3hbx h ASP 48 Cb -0.13 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.24 3hbx h ASP 48 CO -0.07 0.74 -0.20 -0.08 -3.12 0.00 0.00 179.24 176.51 3hbx h GLU 49 N 0.16 0.32 0.00 3.56 4.81 -1.28 -1.90 114.58 120.25 3hbx h GLU 49 Ca 0.05 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3hbx h GLU 49 Cb 0.55 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3hbx h GLU 49 CO 0.03 0.51 0.00 -0.07 -0.73 0.00 0.00 179.01 178.75 3hbx h LEU 50 N 0.29 0.00 -1.22 1.64 4.07 -1.26 -1.98 115.31 116.85 3hbx h LEU 50 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 3hbx h LEU 50 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 3hbx h LEU 50 CO 0.03 0.00 0.00 0.24 -1.08 0.00 0.00 178.44 177.63 3hbx h MET 51 N 0.00 0.00 -0.00 1.13 2.86 -1.28 -1.60 114.93 116.03 3hbx h MET 51 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hbx h MET 51 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3hbx h MET 51 CO 0.00 0.00 -0.06 1.28 1.06 0.00 0.00 176.91 179.19 3hbx n LEU 52 N -2.68 0.35 -4.79 1.22 4.77 -0.74 -4.77 117.00 110.36 3hbx n LEU 52 Ca 0.01 0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.71 3hbx n LEU 52 Cb 0.25 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3hbx n LEU 52 CO 0.23 0.06 0.72 -1.81 -1.33 0.00 0.00 177.39 175.26 3hbx s ASP 53 N -2.40 5.17 0.77 -1.43 1.01 -0.60 -5.04 116.67 114.14 3hbx s ASP 53 Ca 0.32 1.81 -0.11 0.00 0.71 0.00 0.00 52.55 55.28 3hbx s ASP 53 Cb 0.20 -2.52 0.05 0.00 1.01 0.00 0.00 42.92 41.66 3hbx s ASP 53 CO 0.45 -1.58 1.08 -0.83 0.21 0.00 0.00 175.17 174.50 3hbx s GLY 54 N -3.16 1.65 -0.37 0.21 0.00 -1.26 -4.99 107.32 99.40 3hbx s GLY 54 Ca 0.62 0.05 -0.27 0.00 0.00 0.00 0.00 44.72 45.12 3hbx s GLY 54 CO 0.48 0.42 0.98 0.21 0.00 0.00 0.00 173.10 175.19 3hbx s ASN 55 N -3.66 6.73 0.28 1.64 3.84 -1.26 -4.93 114.94 117.57 3hbx s ASN 55 Ca 0.60 0.67 0.02 0.00 0.21 0.00 0.00 52.86 54.37 3hbx s ASN 55 Cb -0.15 -2.49 0.68 0.00 -0.55 0.00 0.00 41.25 38.73 3hbx s ASN 55 CO 0.55 -0.91 1.71 -0.65 -2.79 0.00 0.00 177.10 175.01 3hbx h PRO 56 N 8.48 0.43 0.00 0.43 0.11 -1.95 0.28 132.00 139.78 3hbx h PRO 56 Ca -0.23 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 3hbx h PRO 56 Cb 1.07 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 3hbx h PRO 56 CO 1.01 0.28 -0.02 0.00 -0.21 0.00 0.00 178.00 179.06 3hbx h ARG 57 N 0.44 0.00 -0.02 1.05 2.47 -1.92 -0.89 114.38 115.51 3hbx h ARG 57 Ca 0.53 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.25 3hbx h ARG 57 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 3hbx h ARG 57 CO -0.49 0.02 -0.10 1.28 0.56 0.00 0.00 179.97 181.24 3hbx n LEU 58 N -3.51 2.51 -4.56 3.04 4.77 0.89 -4.84 117.00 115.31 3hbx n LEU 58 Ca -0.03 -0.94 -0.40 0.00 -0.03 0.00 0.00 56.01 54.62 3hbx n LEU 58 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3hbx n LEU 58 CO 0.25 0.44 1.35 0.21 -1.33 0.00 0.00 177.39 178.31 3hbx s ASN 59 N -1.84 6.15 0.00 -1.43 2.47 -0.34 -2.33 114.94 117.62 3hbx s ASN 59 Ca 0.22 -0.83 0.16 0.00 0.42 0.00 0.00 52.86 52.83 3hbx s ASN 59 Cb 0.17 -2.56 0.57 0.00 -1.45 0.00 0.00 41.25 37.97 3hbx s ASN 59 CO 0.32 -1.82 1.42 0.18 -3.72 0.00 0.00 177.10 173.48 3hbx n LEU 60 N 9.84 1.60 0.09 3.21 4.77 -0.50 -3.64 117.00 132.37 3hbx n LEU 60 Ca 0.20 -0.73 0.01 0.00 -0.03 0.00 0.00 56.01 55.46 3hbx n LEU 60 Cb 0.50 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3hbx n LEU 60 CO 0.68 0.36 0.11 0.00 -1.33 0.00 0.00 177.39 177.21 3hbx h ALA 61 N 3.82 0.64 -2.66 -1.18 0.00 -1.81 -1.94 119.26 116.14 3hbx h ALA 61 Ca 0.00 -0.67 -0.57 0.00 0.00 0.00 0.00 54.91 53.67 3hbx h ALA 61 Cb 0.43 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3hbx h ALA 61 CO 0.00 0.81 -0.25 0.45 0.00 0.00 0.00 179.25 180.26 3hbx s SER 62 N -6.18 6.55 0.00 0.00 0.15 -1.24 -4.89 113.70 108.08 3hbx s SER 62 Ca 0.01 0.70 0.23 0.00 0.70 0.00 0.00 55.95 57.60 3hbx s SER 62 Cb 0.08 -2.14 0.20 0.00 -1.71 0.00 0.00 66.02 62.45 3hbx s SER 62 CO 0.78 0.03 1.20 0.49 1.20 0.00 0.00 173.24 176.94 3hbx n PHE 63 N 0.12 0.00 -2.77 3.44 3.01 -1.26 -4.78 117.46 115.22 3hbx n PHE 63 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.03 3hbx n PHE 63 Cb 0.52 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.86 3hbx n PHE 63 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3hbx s VAL 64 N -2.80 4.60 0.31 -4.37 1.01 -1.26 -4.40 120.40 113.49 3hbx s VAL 64 Ca 0.14 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.81 3hbx s VAL 64 Cb 0.17 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 3hbx s VAL 64 CO 0.70 0.30 1.49 0.41 0.00 0.00 0.00 175.10 178.00 3hbx n THR 65 N 2.96 1.34 -0.12 3.92 -1.04 0.56 -4.92 114.28 116.98 3hbx n THR 65 Ca 0.02 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 3hbx n THR 65 Cb 0.50 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 3hbx n THR 65 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3hbx n THR 66 N 1.50 0.84 -3.70 12.58 -2.24 -1.26 -4.41 114.28 117.58 3hbx n THR 66 Ca 0.07 -0.86 -0.12 0.00 -2.27 0.00 0.00 64.05 60.87 3hbx n THR 66 Cb 0.36 0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 69.07 3hbx n THR 66 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3hbx s TRP 67 N -0.84 -0.58 0.15 4.78 -0.00 -1.26 -4.78 118.94 116.41 3hbx s TRP 67 Ca 0.00 1.30 0.03 0.00 -0.00 0.00 0.00 56.10 57.43 3hbx s TRP 67 Cb 0.00 0.24 -0.04 0.00 -0.00 0.00 0.00 33.47 33.66 3hbx s TRP 67 CO 0.00 -0.30 -0.06 -1.64 -0.00 0.00 0.00 176.95 174.94 3hbx s MET 68 N 0.81 1.04 0.48 5.86 -1.94 -1.26 -4.91 119.30 119.38 3hbx s MET 68 Ca -0.05 -1.46 -0.24 0.00 -1.71 0.00 0.00 55.69 52.23 3hbx s MET 68 Cb -0.05 -0.46 -0.07 0.00 2.01 0.00 0.00 34.83 36.26 3hbx s MET 68 CO -0.06 -0.00 1.37 -1.21 -0.01 0.00 0.00 175.02 175.10 3hbx s GLU 69 N -3.81 3.55 0.36 2.03 2.02 -1.26 -4.84 118.70 116.75 3hbx s GLU 69 Ca 0.18 2.28 0.11 0.00 0.02 0.00 0.00 54.97 57.55 3hbx s GLU 69 Cb 0.04 -2.52 0.88 0.00 0.10 0.00 0.00 34.13 32.63 3hbx s GLU 69 CO 0.01 -0.88 1.84 -1.35 0.02 0.00 0.00 175.26 174.90 3hbx h PRO 70 N 2.07 0.60 -0.51 0.39 0.11 -2.00 0.13 132.00 132.79 3hbx h PRO 70 Ca -0.51 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.59 3hbx h PRO 70 Cb 1.27 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3hbx h PRO 70 CO 0.60 0.40 0.34 0.93 -0.21 0.00 0.00 178.00 180.06 3hbx h GLU 71 N 0.62 0.60 0.00 1.05 3.07 -2.01 -1.69 114.58 116.23 3hbx h GLU 71 Ca 0.49 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 59.13 3hbx h GLU 71 Cb 0.91 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 3hbx h GLU 71 CO -0.24 0.40 -0.88 0.00 -1.40 0.00 0.00 179.01 176.90 3hbx h ASP 73 N 0.00 0.90 -0.03 0.00 5.19 -0.58 -1.97 116.42 119.94 3hbx h ASP 73 Ca -0.01 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3hbx h ASP 73 Cb 1.57 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.85 3hbx h ASP 73 CO 0.11 0.66 0.01 0.11 -3.12 0.00 0.00 179.24 177.02 3hbx h LYS 74 N 1.06 0.04 -0.56 3.56 1.57 -1.34 -0.75 116.57 120.15 3hbx h LYS 74 Ca 0.28 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.14 3hbx h LYS 74 Cb -0.10 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.14 3hbx h LYS 74 CO -0.06 0.23 0.19 -0.07 -0.57 0.00 0.00 179.45 179.17 3hbx h LEU 75 N -0.16 0.17 -0.00 2.94 3.38 -1.42 0.27 115.31 120.49 3hbx h LEU 75 Ca 0.01 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hbx h LEU 75 Cb 0.21 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3hbx h LEU 75 CO -0.00 0.11 -0.08 0.40 0.09 0.00 0.00 178.44 178.97 3hbx h ILE 76 N 0.36 0.80 -0.35 1.22 2.04 -1.20 -2.60 117.51 117.79 3hbx h ILE 76 Ca 0.28 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.09 3hbx h ILE 76 Cb 0.33 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3hbx h ILE 76 CO -0.29 0.00 0.01 -0.03 0.00 0.00 0.00 178.15 177.84 3hbx h MET 77 N -0.13 0.53 0.00 2.37 4.05 -0.49 -1.52 114.93 119.74 3hbx h MET 77 Ca 0.03 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3hbx h MET 77 Cb 0.17 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 3hbx h MET 77 CO -0.08 0.55 0.00 0.43 0.23 0.00 0.00 176.91 178.04 3hbx n SER 78 N -4.28 0.43 -0.49 1.39 7.64 0.89 -3.40 113.62 115.79 3hbx n SER 78 Ca 0.02 0.62 0.03 0.00 1.01 0.00 0.00 58.87 60.54 3hbx n SER 78 Cb 0.24 -0.70 0.04 0.00 -1.01 0.00 0.00 64.21 62.78 3hbx n SER 78 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hbx n SER 79 N -1.98 0.63 0.16 6.43 3.41 -0.71 -4.76 113.62 116.80 3hbx n SER 79 Ca 0.02 -2.28 0.13 0.00 -0.26 0.00 0.00 58.87 56.47 3hbx n SER 79 Cb 0.19 -0.27 0.55 0.00 -0.26 0.00 0.00 64.21 64.42 3hbx n SER 79 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3hbx h ILE 80 N 5.33 0.00 -0.05 -1.33 -0.00 -1.33 -2.47 117.51 117.66 3hbx h ILE 80 Ca -0.02 -0.23 0.00 0.00 -0.00 0.00 0.00 64.86 64.62 3hbx h ILE 80 Cb 1.34 0.96 0.00 0.00 -0.00 0.00 0.00 36.82 39.12 3hbx h ILE 80 CO 0.01 0.00 0.00 -0.46 -0.00 0.00 0.00 178.15 177.70 3hbx n ASN 81 N -2.36 3.02 -4.52 2.16 6.94 -1.26 -4.84 115.26 114.40 3hbx n ASN 81 Ca 0.01 -2.00 -0.43 0.00 -0.02 0.00 0.00 54.58 52.15 3hbx n ASN 81 Cb 0.21 -0.01 -0.04 0.00 -2.36 0.00 0.00 39.78 37.58 3hbx n ASN 81 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3hbx s LYS 82 N -1.98 3.30 -0.17 -3.83 1.02 -0.93 -5.01 119.74 112.15 3hbx s LYS 82 Ca 0.29 -0.30 -0.29 0.00 0.02 0.00 0.00 55.97 55.68 3hbx s LYS 82 Cb 0.20 -4.09 -0.03 0.00 -0.52 0.00 0.00 37.83 33.39 3hbx s LYS 82 CO 0.30 -1.63 1.54 1.21 -0.92 0.00 0.00 175.35 175.86 3hbx s ASN 83 N 3.08 6.58 0.30 2.83 2.47 -1.26 -2.79 114.94 126.15 3hbx s ASN 83 Ca 0.31 1.77 0.01 0.00 0.42 0.00 0.00 52.86 55.37 3hbx s ASN 83 Cb -0.12 -2.53 0.54 0.00 -1.45 0.00 0.00 41.25 37.68 3hbx s ASN 83 CO 0.18 -1.07 1.89 0.22 -3.72 0.00 0.00 177.10 174.61 3hbx h TYR 84 N 9.85 1.06 0.00 0.43 3.20 -1.19 -2.54 116.97 127.78 3hbx h TYR 84 Ca -0.33 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3hbx h TYR 84 Cb 1.15 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.07 3hbx h TYR 84 CO 0.88 0.52 0.00 1.55 -1.64 0.00 0.00 178.16 179.48 3hbx n VAL 85 N -4.51 1.25 -1.94 1.81 3.14 -1.26 -3.97 118.33 112.85 3hbx n VAL 85 Ca 0.15 0.42 -0.42 0.00 -2.96 0.00 0.00 64.34 61.53 3hbx n VAL 85 Cb 0.24 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.68 3hbx n VAL 85 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3hbx n ASP 86 N -1.83 4.20 -0.09 6.55 8.00 -0.96 -4.78 116.55 127.64 3hbx n ASP 86 Ca 0.01 -2.90 -0.08 0.00 0.71 0.00 0.00 54.79 52.54 3hbx n ASP 86 Cb 0.11 -1.64 -0.00 0.00 -0.02 0.00 0.00 41.12 39.57 3hbx n ASP 86 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3hbx h MET 87 N 6.13 0.33 -0.62 -1.24 1.85 -1.85 -0.88 114.93 118.65 3hbx h MET 87 Ca 0.52 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.58 3hbx h MET 87 Cb 0.67 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.59 3hbx h MET 87 CO 1.79 0.22 0.32 0.22 -0.40 0.00 0.00 176.91 179.06 3hbx h ASP 88 N 0.34 0.80 0.05 1.39 3.58 -1.89 -2.97 116.42 117.70 3hbx h ASP 88 Ca 0.14 -0.11 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 3hbx h ASP 88 Cb 0.05 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3hbx h ASP 88 CO -0.09 0.68 -0.52 -0.33 -2.88 0.00 0.00 179.24 176.10 3hbx h GLU 89 N 0.85 0.52 -2.77 0.28 3.07 -1.82 -3.37 114.58 111.34 3hbx h GLU 89 Ca 0.22 -0.31 -0.61 0.00 -0.50 0.00 0.00 59.36 58.16 3hbx h GLU 89 Cb 0.08 0.03 -0.41 0.00 -0.84 0.00 0.00 28.75 27.60 3hbx h GLU 89 CO -0.03 0.91 -0.66 0.66 -1.40 0.00 0.00 179.01 178.49 3hbx n TYR 90 N -3.97 2.58 -0.24 4.33 4.01 -0.36 -4.95 117.16 118.57 3hbx n TYR 90 Ca -0.03 -4.11 -0.06 0.00 -0.16 0.00 0.00 57.90 53.54 3hbx n TYR 90 Cb 0.58 -0.47 0.05 0.00 -0.31 0.00 0.00 39.34 39.18 3hbx n TYR 90 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hbx h PRO 91 N 5.13 0.95 -0.41 -0.72 0.11 -1.70 -2.89 132.00 132.48 3hbx h PRO 91 Ca 0.17 -0.12 -0.10 0.00 0.11 0.00 0.00 66.00 66.06 3hbx h PRO 91 Cb 0.76 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3hbx h PRO 91 CO 0.68 0.73 -0.15 0.28 -0.21 0.00 0.00 178.00 179.33 3hbx h VAL 92 N 0.93 1.28 -0.81 3.15 2.07 -1.92 -1.60 116.25 119.34 3hbx h VAL 92 Ca 0.24 -1.27 0.08 0.00 0.82 0.00 0.00 66.70 66.57 3hbx h VAL 92 Cb 0.06 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 3hbx h VAL 92 CO -0.04 0.43 0.48 0.74 0.02 0.00 0.00 177.57 179.20 3hbx h THR 93 N 0.65 0.96 -0.61 2.57 2.02 -1.93 -0.63 112.91 115.93 3hbx h THR 93 Ca 0.10 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 3hbx h THR 93 Cb 0.69 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3hbx h THR 93 CO 0.05 0.15 0.01 0.74 0.37 0.00 0.00 175.52 176.85 3hbx h THR 94 N 0.83 1.27 -0.56 3.16 2.02 -1.29 -2.88 112.91 115.47 3hbx h THR 94 Ca 0.38 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3hbx h THR 94 Cb 0.28 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3hbx h THR 94 CO -0.21 0.41 0.27 -0.33 0.37 0.00 0.00 175.52 176.03 3hbx h GLU 95 N 0.97 0.80 -0.61 6.66 5.08 -0.48 -2.25 114.58 124.75 3hbx h GLU 95 Ca 0.17 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3hbx h GLU 95 Cb 0.54 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3hbx h GLU 95 CO 0.03 0.66 0.40 -0.07 -1.00 0.00 0.00 179.01 179.03 3hbx h LEU 96 N 0.75 0.63 -0.40 1.33 3.38 -1.05 0.73 115.31 120.68 3hbx h LEU 96 Ca 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3hbx h LEU 96 Cb 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3hbx h LEU 96 CO -0.02 0.43 0.13 -0.61 0.09 0.00 0.00 178.44 178.46 3hbx h GLN 97 N 0.73 0.62 -0.71 1.13 -0.00 -1.24 -1.66 115.11 113.98 3hbx h GLN 97 Ca 0.24 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.75 3hbx h GLN 97 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.42 3hbx h GLN 97 CO -0.06 0.61 0.41 -0.91 0.00 0.00 0.00 178.83 178.88 3hbx h ASN 98 N 0.51 0.87 -0.77 -0.69 2.35 -0.63 -1.93 115.58 115.28 3hbx h ASN 98 Ca 0.13 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3hbx h ASN 98 Cb 0.25 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3hbx h ASN 98 CO -0.01 0.69 0.31 0.03 -1.65 0.00 0.00 177.43 176.81 3hbx h ARG 99 N 0.97 1.16 -0.52 0.81 3.08 -0.74 -0.75 114.38 118.38 3hbx h ARG 99 Ca 0.25 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3hbx h ARG 99 Cb -0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3hbx h ARG 99 CO -0.04 0.93 0.28 0.00 -1.07 0.00 0.00 179.97 180.07 3hbx h VAL 101 N 0.70 1.00 -0.08 0.00 2.07 -0.89 0.29 116.25 119.35 3hbx h VAL 101 Ca 0.18 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3hbx h VAL 101 Cb 0.06 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3hbx h VAL 101 CO -0.03 0.07 0.01 0.78 0.02 0.00 0.00 177.57 178.42 3hbx h ASN 102 N 0.41 -0.01 -0.66 0.57 2.35 -0.81 0.36 115.58 117.78 3hbx h ASN 102 Ca 0.15 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3hbx h ASN 102 Cb 0.04 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3hbx h ASN 102 CO -0.09 0.01 0.09 0.24 -1.65 0.00 0.00 177.43 176.03 3hbx h MET 103 N 0.04 1.11 -0.29 0.81 2.86 -0.56 -1.00 114.93 117.89 3hbx h MET 103 Ca 0.03 -0.30 -0.15 0.00 -2.06 0.00 0.00 59.70 57.22 3hbx h MET 103 Cb 0.03 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3hbx h MET 103 CO -0.05 1.02 -0.43 0.82 1.06 0.00 0.00 176.91 179.32 3hbx h ILE 104 N 1.03 1.29 -0.08 -1.22 2.04 -0.88 -1.36 117.51 118.34 3hbx h ILE 104 Ca 0.20 -1.62 0.01 0.00 1.00 0.00 0.00 64.86 64.45 3hbx h ILE 104 Cb 0.46 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3hbx h ILE 104 CO 0.02 0.52 0.01 0.00 0.00 0.00 0.00 178.15 178.70 3hbx h ALA 105 N 0.92 0.08 -0.60 1.87 0.00 -0.47 -1.31 119.26 119.75 3hbx h ALA 105 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hbx h ALA 105 Cb 0.99 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3hbx h ALA 105 CO 0.09 -0.45 0.21 0.45 0.00 0.00 0.00 179.25 179.55 3hbx h HIS 106 N 0.05 0.90 -0.20 0.00 3.86 -1.18 -1.37 115.15 117.21 3hbx h HIS 106 Ca 0.04 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3hbx h HIS 106 Cb 0.03 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 3hbx h HIS 106 CO -0.11 0.71 0.14 1.25 0.86 0.00 0.00 177.93 180.78 3hbx h LEU 107 N 0.87 0.19 -2.59 2.43 5.85 -0.67 0.56 115.31 121.95 3hbx h LEU 107 Ca 0.20 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3hbx h LEU 107 Cb 0.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3hbx h LEU 107 CO -0.01 0.13 0.00 0.49 -0.34 0.00 0.00 178.44 178.71 3hbx n PHE 108 N -4.51 1.21 -3.09 1.25 3.72 -0.54 -4.91 117.46 110.59 3hbx n PHE 108 Ca 0.00 -0.48 -0.23 0.00 -0.05 0.00 0.00 57.45 56.69 3hbx n PHE 108 Cb 0.12 -0.21 0.04 0.00 -0.94 0.00 0.00 39.48 38.49 3hbx n PHE 108 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3hbx n ASN 109 N 0.89 -6.17 -4.74 4.37 3.02 0.19 -2.36 115.26 110.45 3hbx n ASN 109 Ca 0.21 -0.32 -0.37 0.00 -0.03 0.00 0.00 54.58 54.08 3hbx n ASN 109 Cb 0.74 -4.97 0.06 0.00 -0.61 0.00 0.00 39.78 35.00 3hbx n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hbx s ALA 110 N -3.20 2.42 -1.00 5.41 0.00 -0.58 -4.30 121.76 120.50 3hbx s ALA 110 Ca 0.34 1.17 -0.24 0.00 0.00 0.00 0.00 51.96 53.23 3hbx s ALA 110 Cb -0.15 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 3hbx s ALA 110 CO 0.42 -1.50 1.95 -2.14 0.00 0.00 0.00 175.76 174.49 3hbx s PRO 111 N -3.37 2.51 -0.03 0.00 0.02 -1.26 -4.84 135.00 128.03 3hbx s PRO 111 Ca 0.81 -0.60 0.04 0.00 0.02 0.00 0.00 61.00 61.27 3hbx s PRO 111 Cb -0.36 -5.12 -0.00 0.00 0.02 0.00 0.00 34.50 29.03 3hbx s PRO 111 CO 0.38 -3.63 -0.13 -0.51 -0.33 0.00 0.00 177.00 172.78 3hbx s LEU 112 N 10.54 1.89 0.86 -5.54 1.43 -1.26 -4.98 118.68 121.62 3hbx s LEU 112 Ca 0.70 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 3hbx s LEU 112 Cb -0.05 -0.76 0.10 0.00 0.03 0.00 0.00 46.19 45.52 3hbx s LEU 112 CO 0.05 0.13 1.11 -1.61 0.23 0.00 0.00 176.35 176.25 3hbx s GLU 113 N 0.00 1.59 0.07 1.70 2.02 -1.26 -4.99 118.70 117.83 3hbx s GLU 113 Ca -0.01 0.58 -0.31 0.00 0.02 0.00 0.00 54.97 55.25 3hbx s GLU 113 Cb -0.09 -1.87 -0.06 0.00 0.10 0.00 0.00 34.13 32.21 3hbx s GLU 113 CO 0.01 -1.95 1.30 -1.21 0.02 0.00 0.00 175.26 173.43 3hbx s GLU 114 N -5.13 4.36 -0.12 1.61 8.01 -1.26 -2.77 118.70 123.40 3hbx s GLU 114 Ca 0.62 1.91 0.00 0.00 0.01 0.00 0.00 54.97 57.52 3hbx s GLU 114 Cb -0.15 -3.35 0.00 0.00 -4.31 0.00 0.00 34.13 26.32 3hbx s GLU 114 CO 0.55 -0.38 0.00 0.00 0.01 0.00 0.00 175.26 175.44 3hbx n ALA 115 N 4.19 -0.02 -2.19 5.21 0.00 -1.26 -5.02 120.51 121.41 3hbx n ALA 115 Ca 0.11 0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 3hbx n ALA 115 Cb 0.44 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 3hbx n ALA 115 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hbx s GLU 116 N -0.92 4.04 -0.15 0.00 2.12 -1.12 -5.05 118.70 117.63 3hbx s GLU 116 Ca 0.00 0.65 -0.23 0.00 0.36 0.00 0.00 54.97 55.75 3hbx s GLU 116 Cb 0.00 -2.63 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 3hbx s GLU 116 CO 0.00 0.28 0.71 0.99 -0.54 0.00 0.00 175.26 176.70 3hbx s THR 117 N -1.78 4.99 0.74 -1.70 2.01 -1.26 -4.88 115.64 113.75 3hbx s THR 117 Ca 0.49 1.40 -0.11 0.00 0.31 0.00 0.00 61.69 63.78 3hbx s THR 117 Cb -0.13 -4.03 0.04 0.00 0.01 0.00 0.00 72.50 68.39 3hbx s THR 117 CO 0.19 0.13 1.07 0.00 -0.69 0.00 0.00 174.62 175.33 3hbx s ALA 118 N 1.63 2.45 -0.35 7.40 0.00 -1.26 -5.03 121.76 126.59 3hbx s ALA 118 Ca 0.34 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 3hbx s ALA 118 Cb -0.17 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.78 3hbx s ALA 118 CO 0.13 -1.50 0.19 0.08 0.00 0.00 0.00 175.76 174.67 3hbx s VAL 119 N -3.02 4.63 0.00 0.00 1.01 -1.26 -4.89 120.40 116.86 3hbx s VAL 119 Ca 0.59 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3hbx s VAL 119 Cb -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3hbx s VAL 119 CO 0.55 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3hbx n GLY 120 N 5.00 0.80 3.06 4.51 0.00 -1.26 -0.62 105.19 116.69 3hbx n GLY 120 Ca -0.13 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 3hbx n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hbx s VAL 121 N -2.00 0.11 0.21 1.61 -7.23 -0.75 -4.98 120.40 107.37 3hbx s VAL 121 Ca 0.00 -0.92 -0.24 0.00 -1.81 0.00 0.00 61.98 59.01 3hbx s VAL 121 Cb 0.00 -0.54 -0.08 0.00 0.56 0.00 0.00 36.38 36.32 3hbx s VAL 121 CO 0.00 -0.51 0.79 -0.83 -0.31 0.00 0.00 175.10 174.25 3hbx s GLY 122 N -1.67 2.81 0.39 2.32 0.00 -1.26 -2.01 107.32 107.90 3hbx s GLY 122 Ca -0.12 0.34 0.04 0.00 0.00 0.00 0.00 44.72 44.98 3hbx s GLY 122 CO -0.01 0.79 0.14 -0.51 0.00 0.00 0.00 173.10 173.51 3hbx s THR 123 N -1.35 0.54 0.27 0.90 -4.23 0.13 -4.95 115.64 106.96 3hbx s THR 123 Ca 0.41 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.94 3hbx s THR 123 Cb -0.20 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.27 3hbx s THR 123 CO 0.24 0.00 1.68 0.58 -0.54 0.00 0.00 174.62 176.59 3hbx h VAL 124 N 1.88 1.29 -1.87 2.29 2.07 -1.83 0.40 116.25 120.48 3hbx h VAL 124 Ca -0.34 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 65.85 3hbx h VAL 124 Cb 1.27 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3hbx h VAL 124 CO 0.55 0.44 0.29 0.61 0.02 0.00 0.00 177.57 179.48 3hbx n GLY 125 N -0.23 0.84 0.22 2.17 0.00 -1.26 -0.66 105.19 106.27 3hbx n GLY 125 Ca -0.01 -0.99 0.07 0.00 0.00 0.00 0.00 46.02 45.09 3hbx n GLY 125 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hbx h SER 126 N 0.84 0.00 0.04 1.61 0.02 -1.86 -2.53 113.55 111.68 3hbx h SER 126 Ca -0.11 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3hbx h SER 126 Cb 0.51 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 3hbx h SER 126 CO 0.15 0.22 -0.27 -1.28 -1.14 0.00 0.00 176.83 174.51 3hbx h SER 127 N 0.00 -0.79 -0.04 3.07 0.87 -1.97 0.50 113.55 115.19 3hbx h SER 127 Ca -0.00 0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 3hbx h SER 127 Cb 0.42 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3hbx h SER 127 CO 0.03 -0.35 -0.29 -0.08 -0.53 0.00 0.00 176.83 175.61 3hbx h GLU 128 N -0.44 0.49 -0.71 2.24 4.81 -1.94 -2.64 114.58 116.39 3hbx h GLU 128 Ca 0.05 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 3hbx h GLU 128 Cb 0.50 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 3hbx h GLU 128 CO -0.21 0.74 0.30 0.00 -0.73 0.00 0.00 179.01 179.11 3hbx h ALA 129 N 1.26 0.92 -0.66 2.92 0.00 -0.95 -1.48 119.26 121.26 3hbx h ALA 129 Ca 0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3hbx h ALA 129 Cb 0.73 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hbx h ALA 129 CO 0.06 0.52 0.15 0.82 0.00 0.00 0.00 179.25 180.80 3hbx h ILE 130 N 1.00 1.26 0.00 0.00 2.04 0.16 -0.90 117.51 121.06 3hbx h ILE 130 Ca 0.24 -0.96 -0.12 0.00 1.00 0.00 0.00 64.86 65.02 3hbx h ILE 130 Cb 0.18 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3hbx h ILE 130 CO -0.02 0.37 -0.57 0.24 0.00 0.00 0.00 178.15 178.16 3hbx h MET 131 N 0.99 0.00 -0.14 2.37 2.86 -1.20 0.22 114.93 120.03 3hbx h MET 131 Ca 0.21 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.71 3hbx h MET 131 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3hbx h MET 131 CO 0.00 0.57 -0.46 -0.07 1.06 0.00 0.00 176.91 178.02 3hbx h LEU 132 N 0.00 0.65 -0.70 1.22 3.38 -1.11 -1.20 115.31 117.55 3hbx h LEU 132 Ca -0.01 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.37 3hbx h LEU 132 Cb 1.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3hbx h LEU 132 CO 0.07 1.14 0.46 0.00 0.09 0.00 0.00 178.44 180.20 3hbx h ALA 133 N 0.53 0.89 -0.35 1.53 0.00 -0.90 -1.23 119.26 119.72 3hbx h ALA 133 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hbx h ALA 133 Cb 1.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3hbx h ALA 133 CO 0.10 0.32 0.16 0.78 0.00 0.00 0.00 179.25 180.60 3hbx h GLY 134 N 0.95 0.55 0.68 0.00 0.00 -0.54 -1.64 103.07 103.07 3hbx h GLY 134 Ca 0.26 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.36 3hbx h GLY 134 CO -0.05 0.27 0.30 1.41 0.00 0.00 0.00 176.54 178.47 3hbx h LEU 135 N 0.43 0.44 -0.60 3.11 3.38 -0.91 0.18 115.31 121.33 3hbx h LEU 135 Ca 0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hbx h LEU 135 Cb 0.14 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hbx h LEU 135 CO -0.01 0.29 0.39 0.00 0.09 0.00 0.00 178.44 179.20 3hbx h ALA 136 N 1.32 0.76 0.03 1.53 0.00 -1.01 -0.00 119.26 121.89 3hbx h ALA 136 Ca 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hbx h ALA 136 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hbx h ALA 136 CO -0.18 0.21 -0.02 0.74 0.00 0.00 0.00 179.25 180.00 3hbx h PHE 137 N 0.82 -0.04 0.06 0.00 0.04 -0.61 -0.44 116.94 116.76 3hbx h PHE 137 Ca 0.22 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.00 3hbx h PHE 137 Cb -0.08 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 3hbx h PHE 137 CO -0.03 0.12 -0.12 -0.22 -0.60 0.00 0.00 178.31 177.46 3hbx h LYS 138 N -0.20 -0.23 -0.20 1.51 3.64 -0.46 -0.22 116.57 120.41 3hbx h LYS 138 Ca -0.00 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hbx h LYS 138 Cb 0.18 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3hbx h LYS 138 CO 0.01 -0.15 0.11 -0.09 -2.27 0.00 0.00 179.45 177.06 3hbx h ARG 139 N -0.24 0.28 -0.62 1.90 9.65 -1.00 0.23 114.38 124.59 3hbx h ARG 139 Ca 0.02 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 3hbx h ARG 139 Cb 0.26 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 3hbx h ARG 139 CO -0.08 0.26 0.41 -0.22 2.80 0.00 0.00 179.97 183.14 3hbx h LYS 140 N 0.22 0.66 -0.09 0.20 3.64 -0.91 0.10 116.57 120.39 3hbx h LYS 140 Ca 0.07 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 3hbx h LYS 140 Cb 0.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3hbx h LYS 140 CO -0.01 0.44 -0.39 2.35 -2.27 0.00 0.00 179.45 179.56 3hbx h TRP 141 N 0.68 0.57 -0.27 1.91 7.01 -0.44 -2.55 115.95 122.86 3hbx h TRP 141 Ca 0.26 -0.24 0.04 0.00 2.11 0.00 0.00 58.89 61.05 3hbx h TRP 141 Cb 0.16 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.09 3hbx h TRP 141 CO -0.00 0.99 0.04 1.96 -2.79 0.00 0.00 178.44 178.64 3hbx h GLN 142 N -0.02 0.13 -0.29 2.65 4.20 0.11 -1.28 115.11 120.61 3hbx h GLN 142 Ca -0.02 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.71 3hbx h GLN 142 Cb 1.03 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 3hbx h GLN 142 CO 0.08 0.09 0.09 -0.91 -0.67 0.00 0.00 178.83 177.50 3hbx h ASN 143 N 0.13 0.08 -0.80 1.46 2.35 -1.04 0.70 115.58 118.46 3hbx h ASN 143 Ca 0.13 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3hbx h ASN 143 Cb 0.14 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 3hbx h ASN 143 CO -0.18 0.08 0.53 0.50 -1.65 0.00 0.00 177.43 176.71 3hbx h LYS 144 N 0.21 1.05 -0.11 0.81 3.64 -1.15 -1.68 116.57 119.33 3hbx h LYS 144 Ca 0.13 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3hbx h LYS 144 Cb 0.11 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3hbx h LYS 144 CO -0.14 0.69 -0.25 0.00 -2.27 0.00 0.00 179.45 177.47 3hbx h ARG 145 N 1.08 0.36 -0.32 1.90 2.47 -0.92 -2.93 114.38 116.02 3hbx h ARG 145 Ca 0.30 -0.24 0.06 0.00 -1.26 0.00 0.00 59.98 58.83 3hbx h ARG 145 Cb -0.11 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 3hbx h ARG 145 CO -0.07 0.85 0.22 0.87 0.56 0.00 0.00 179.97 182.40 3hbx h LYS 146 N -0.08 0.17 0.00 0.04 1.57 -0.72 0.91 116.57 118.47 3hbx h LYS 146 Ca -0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3hbx h LYS 146 Cb 0.85 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3hbx h LYS 146 CO 0.06 0.11 -0.26 0.00 -0.57 0.00 0.00 179.45 178.78 3hbx h ALA 147 N 1.83 0.97 -0.31 3.86 0.00 -1.21 -2.73 119.26 121.68 3hbx h ALA 147 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hbx h ALA 147 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hbx h ALA 147 CO -0.02 0.33 0.00 0.39 0.00 0.00 0.00 179.25 179.95 3hbx n GLU 148 N -3.37 2.40 -1.12 0.00 1.02 0.20 -4.93 120.64 114.83 3hbx n GLU 148 Ca 0.00 -2.10 -0.04 0.00 -0.02 0.00 0.00 57.16 55.00 3hbx n GLU 148 Cb 0.48 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 3hbx n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hbx n GLY 149 N 1.45 0.61 3.90 0.62 0.00 -0.50 -5.00 105.19 106.26 3hbx n GLY 149 Ca 0.18 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3hbx n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbx s LYS 150 N -1.77 3.58 0.56 1.61 1.02 -0.49 -4.99 119.74 119.26 3hbx s LYS 150 Ca 0.00 0.21 -0.18 0.00 0.02 0.00 0.00 55.97 56.03 3hbx s LYS 150 Cb 0.00 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 3hbx s LYS 150 CO 0.00 -0.15 1.06 -2.14 -0.92 0.00 0.00 175.35 173.20 3hbx s PRO 151 N -4.53 3.45 -0.12 -1.68 0.02 -1.26 -4.15 135.00 126.73 3hbx s PRO 151 Ca 0.48 1.30 0.21 0.00 0.02 0.00 0.00 61.00 63.01 3hbx s PRO 151 Cb -0.10 -2.05 0.45 0.00 0.02 0.00 0.00 34.50 32.82 3hbx s PRO 151 CO 0.42 -0.71 1.17 1.33 -0.33 0.00 0.00 177.00 178.87 3hbx n VAL 152 N -1.63 0.90 1.00 3.83 0.24 -1.26 -4.86 118.33 116.56 3hbx n VAL 152 Ca 0.09 -2.12 0.11 0.00 -2.04 0.00 0.00 64.34 60.38 3hbx n VAL 152 Cb 0.52 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.53 3hbx n VAL 152 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3hbx n ASP 153 N -0.15 1.73 -3.13 -1.34 5.75 -1.26 -4.61 116.55 113.55 3hbx n ASP 153 Ca 0.12 -1.36 -0.21 0.00 -0.01 0.00 0.00 54.79 53.32 3hbx n ASP 153 Cb 0.97 0.61 -0.04 0.00 -1.03 0.00 0.00 41.12 41.64 3hbx n ASP 153 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hbx n LYS 154 N -0.44 1.66 -2.13 0.11 5.02 -1.26 -5.10 118.16 116.01 3hbx n LYS 154 Ca 0.08 -3.84 -0.34 0.00 -2.02 0.00 0.00 58.31 52.19 3hbx n LYS 154 Cb 0.43 -1.84 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 3hbx n LYS 154 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3hbx s PRO 155 N -2.64 3.27 0.12 1.97 0.02 -1.26 -4.77 135.00 131.71 3hbx s PRO 155 Ca 0.42 1.44 -0.07 0.00 0.02 0.00 0.00 61.00 62.81 3hbx s PRO 155 Cb 0.31 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.81 3hbx s PRO 155 CO -0.10 -0.89 0.19 0.54 -0.33 0.00 0.00 177.00 176.42 3hbx s ASN 156 N -2.20 0.14 0.03 2.53 2.20 0.24 -0.91 114.94 116.97 3hbx s ASN 156 Ca 0.69 -0.84 0.06 0.00 -0.94 0.00 0.00 52.86 51.82 3hbx s ASN 156 Cb -0.20 0.36 -0.02 0.00 -2.00 0.00 0.00 41.25 39.39 3hbx s ASN 156 CO 0.31 -0.79 -0.18 -0.63 -2.94 0.00 0.00 177.10 172.88 3hbx s ILE 157 N -3.93 1.40 -0.22 0.54 1.01 0.59 -0.61 121.20 119.98 3hbx s ILE 157 Ca 0.13 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 3hbx s ILE 157 Cb 0.05 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 3hbx s ILE 157 CO -0.05 0.20 -0.04 -0.69 0.00 0.00 0.00 174.94 174.36 3hbx s VAL 158 N -0.69 3.39 0.31 2.92 1.01 -1.00 -0.70 120.40 125.64 3hbx s VAL 158 Ca 0.05 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3hbx s VAL 158 Cb -0.08 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3hbx s VAL 158 CO 0.01 0.42 0.34 0.42 0.00 0.00 0.00 175.10 176.29 3hbx s THR 159 N 1.48 0.00 0.62 3.92 -4.23 -0.73 -1.05 115.64 115.66 3hbx s THR 159 Ca 0.06 -1.83 -0.07 0.00 -1.18 0.00 0.00 61.69 58.67 3hbx s THR 159 Cb -0.14 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.18 3hbx s THR 159 CO -0.03 0.00 0.94 -0.83 -0.54 0.00 0.00 174.62 174.16 3hbx s GLY 160 N -3.28 1.62 0.20 3.99 0.00 -1.26 0.03 107.32 108.62 3hbx s GLY 160 Ca 0.36 -0.70 0.22 0.00 0.00 0.00 0.00 44.72 44.60 3hbx s GLY 160 CO 0.22 -0.39 1.66 0.00 0.00 0.00 0.00 173.10 174.60 3hbx n ALA 161 N -2.69 1.68 1.87 3.20 0.00 0.07 -1.69 120.51 122.94 3hbx n ALA 161 Ca 0.05 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.59 3hbx n ALA 161 Cb 0.58 -1.36 0.26 0.00 0.00 0.00 0.00 19.45 18.94 3hbx n ALA 161 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hbx n ASN 162 N -2.08 0.00 -4.76 0.00 6.94 -1.26 -4.85 115.26 109.25 3hbx n ASN 162 Ca 0.03 -1.60 -0.41 0.00 -0.02 0.00 0.00 54.58 52.58 3hbx n ASN 162 Cb 0.22 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.65 3hbx n ASN 162 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 3hbx n VAL 163 N -0.65 2.39 -2.75 3.53 3.14 -0.68 -4.74 118.33 118.57 3hbx n VAL 163 Ca 0.07 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.60 3hbx n VAL 163 Cb 0.03 -1.86 -0.06 0.00 -1.06 0.00 0.00 33.84 30.89 3hbx n VAL 163 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 3hbx s GLN 164 N -2.25 4.32 0.57 1.45 -0.44 -1.26 -4.92 119.66 117.13 3hbx s GLN 164 Ca 0.57 1.26 0.35 0.00 -2.50 0.00 0.00 55.36 55.05 3hbx s GLN 164 Cb -0.47 -2.44 1.46 0.00 -1.64 0.00 0.00 33.01 29.91 3hbx s GLN 164 CO 0.61 0.04 1.71 0.28 0.50 0.00 0.00 175.29 178.42 3hbx h VAL 165 N 2.17 0.27 0.00 1.34 2.07 -2.00 -1.29 116.25 118.81 3hbx h VAL 165 Ca -0.48 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3hbx h VAL 165 Cb 1.19 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3hbx h VAL 165 CO 0.62 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 178.15 3hbx h TRP 167 N 0.00 0.00 -0.12 0.00 4.06 -1.61 -2.09 115.95 116.20 3hbx h TRP 167 Ca -0.00 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.74 3hbx h TRP 167 Cb 0.13 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.30 3hbx h TRP 167 CO 0.00 0.58 -0.78 0.93 -3.56 0.00 0.00 178.44 175.61 3hbx h GLU 168 N 0.00 0.65 0.15 0.49 5.08 -1.21 -1.52 114.58 118.21 3hbx h GLU 168 Ca -0.01 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 3hbx h GLU 168 Cb 1.35 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.72 3hbx h GLU 168 CO 0.08 1.16 -0.08 0.87 -1.00 0.00 0.00 179.01 180.04 3hbx h LYS 169 N 0.44 -0.20 -0.13 2.33 1.57 -1.16 -1.60 116.57 117.81 3hbx h LYS 169 Ca -0.05 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3hbx h LYS 169 Cb 1.39 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.71 3hbx h LYS 169 CO 0.15 -0.14 -0.11 0.35 -0.57 0.00 0.00 179.45 179.13 3hbx h PHE 170 N -0.21 -0.28 -0.49 -1.35 3.57 -1.37 0.26 116.94 117.08 3hbx h PHE 170 Ca -0.02 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.57 3hbx h PHE 170 Cb 0.16 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 3hbx h PHE 170 CO -0.07 -0.17 0.13 0.00 -2.23 0.00 0.00 178.31 175.97 3hbx h ALA 171 N 0.96 0.57 -0.14 2.41 0.00 -1.16 0.68 119.26 122.58 3hbx h ALA 171 Ca 0.09 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3hbx h ALA 171 Cb 0.26 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hbx h ALA 171 CO -0.21 -0.27 -0.29 -0.09 0.00 0.00 0.00 179.25 178.39 3hbx h ARG 172 N 0.29 0.44 0.01 0.00 2.43 -0.93 0.19 114.38 116.80 3hbx h ARG 172 Ca 0.24 -0.29 -0.20 0.00 -0.81 0.00 0.00 59.98 58.92 3hbx h ARG 172 Cb 0.29 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3hbx h ARG 172 CO -0.28 0.89 -0.90 1.88 -1.51 0.00 0.00 179.97 180.05 3hbx h TYR 173 N 0.04 0.31 -0.50 2.20 0.05 -0.80 -3.20 116.97 115.07 3hbx h TYR 173 Ca 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.61 3hbx h TYR 173 Cb 0.88 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.59 3hbx h TYR 173 CO 0.10 0.99 0.00 1.19 -1.05 0.00 0.00 178.16 179.40 3hbx n PHE 174 N -3.65 1.45 -3.79 4.88 3.72 0.22 -4.98 117.46 115.31 3hbx n PHE 174 Ca -0.04 -0.71 -0.30 0.00 -0.05 0.00 0.00 57.45 56.35 3hbx n PHE 174 Cb 0.82 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 39.05 3hbx n PHE 174 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hbx n GLU 175 N 0.47 -2.06 -4.93 -1.08 1.02 -0.72 -4.97 120.64 108.38 3hbx n GLU 175 Ca 0.24 0.43 -0.28 0.00 -0.02 0.00 0.00 57.16 57.53 3hbx n GLU 175 Cb 0.95 -4.24 -0.15 0.00 -0.02 0.00 0.00 31.44 27.98 3hbx n GLU 175 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hbx s VAL 176 N -3.64 1.85 0.06 2.62 1.01 0.59 -4.72 120.40 118.17 3hbx s VAL 176 Ca 0.30 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 3hbx s VAL 176 Cb -0.11 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 3hbx s VAL 176 CO 0.87 0.38 0.88 -0.70 0.00 0.00 0.00 175.10 176.53 3hbx s GLU 177 N -0.91 4.59 -0.44 2.72 2.12 -0.09 -4.40 118.70 122.29 3hbx s GLU 177 Ca 0.09 1.27 -0.14 0.00 0.36 0.00 0.00 54.97 56.55 3hbx s GLU 177 Cb -0.09 -3.39 0.06 0.00 0.26 0.00 0.00 34.13 30.96 3hbx s GLU 177 CO 0.01 0.18 0.34 -1.17 -0.54 0.00 0.00 175.26 174.08 3hbx s LEU 178 N 0.21 5.37 -0.40 2.70 2.96 -1.26 -0.30 118.68 127.96 3hbx s LEU 178 Ca 0.44 -1.20 -0.18 0.00 -0.22 0.00 0.00 54.13 52.97 3hbx s LEU 178 Cb -0.22 -2.15 0.01 0.00 0.50 0.00 0.00 46.19 44.34 3hbx s LEU 178 CO 0.26 -0.56 0.50 -0.54 -1.32 0.00 0.00 176.35 174.69 3hbx s LYS 179 N 1.62 3.28 -0.15 1.98 1.02 0.12 -4.98 119.74 122.65 3hbx s LYS 179 Ca 0.04 -0.52 -0.05 0.00 0.02 0.00 0.00 55.97 55.46 3hbx s LYS 179 Cb -0.22 -3.92 -0.04 0.00 -0.52 0.00 0.00 37.83 33.13 3hbx s LYS 179 CO 0.07 -0.82 0.03 -1.21 -0.92 0.00 0.00 175.35 172.50 3hbx s GLU 180 N 2.35 3.61 -0.33 1.68 2.02 -1.26 -1.77 118.70 125.00 3hbx s GLU 180 Ca 0.16 -0.37 -0.25 0.00 0.02 0.00 0.00 54.97 54.53 3hbx s GLU 180 Cb -0.16 -3.04 0.01 0.00 0.10 0.00 0.00 34.13 31.04 3hbx s GLU 180 CO 0.15 0.43 0.86 0.08 0.02 0.00 0.00 175.26 176.80 3hbx s VAL 181 N -0.10 4.69 0.69 2.63 1.01 0.10 -4.81 120.40 124.62 3hbx s VAL 181 Ca 0.05 1.23 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 3hbx s VAL 181 Cb -0.12 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.03 3hbx s VAL 181 CO 0.02 -0.38 1.12 -0.54 0.00 0.00 0.00 175.10 175.32 3hbx s LYS 182 N 3.20 2.59 0.23 2.72 1.02 -1.26 -0.75 119.74 127.48 3hbx s LYS 182 Ca 0.35 1.40 -0.10 0.00 0.02 0.00 0.00 55.97 57.64 3hbx s LYS 182 Cb -0.13 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 35.18 3hbx s LYS 182 CO 0.15 -1.42 0.56 -0.51 -0.92 0.00 0.00 175.35 173.21 3hbx s LEU 183 N -5.11 4.18 0.24 3.17 1.02 -0.30 -4.71 118.68 117.16 3hbx s LEU 183 Ca 0.67 0.96 0.09 0.00 0.02 0.00 0.00 54.13 55.88 3hbx s LEU 183 Cb -0.21 -3.68 -0.04 0.00 0.02 0.00 0.00 46.19 42.28 3hbx s LEU 183 CO 0.45 -0.07 -0.03 -0.44 0.02 0.00 0.00 176.35 176.28 3hbx s SER 184 N -2.29 4.47 0.11 2.29 0.01 -0.93 0.89 113.70 118.25 3hbx s SER 184 Ca 0.47 -0.61 -0.32 0.00 1.31 0.00 0.00 55.95 56.80 3hbx s SER 184 Cb -0.11 -0.82 -0.11 0.00 0.21 0.00 0.00 66.02 65.19 3hbx s SER 184 CO 0.21 0.04 1.84 1.21 0.41 0.00 0.00 173.24 176.94 3hbx n GLU 185 N -0.57 2.73 -0.86 12.44 2.13 -1.26 -0.71 120.64 134.54 3hbx n GLU 185 Ca -0.08 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.73 3hbx n GLU 185 Cb 0.58 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 29.40 3hbx n GLU 185 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hbx n GLY 186 N 4.22 0.93 2.65 8.31 0.00 -1.26 -4.97 105.19 115.07 3hbx n GLY 186 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3hbx n GLY 186 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hbx s TYR 187 N -3.72 1.47 -1.46 1.61 5.04 0.11 -5.00 117.35 115.40 3hbx s TYR 187 Ca 0.00 -1.89 0.15 0.00 -2.44 0.00 0.00 57.07 52.89 3hbx s TYR 187 Cb 0.00 -1.53 0.36 0.00 0.35 0.00 0.00 41.96 41.14 3hbx s TYR 187 CO 0.00 -0.83 1.28 0.66 -1.34 0.00 0.00 175.55 175.32 3hbx n TYR 188 N 4.22 0.50 -4.21 4.97 4.01 -1.26 -2.19 117.16 123.21 3hbx n TYR 188 Ca 0.05 -0.38 -0.28 0.00 -0.16 0.00 0.00 57.90 57.12 3hbx n TYR 188 Cb 0.38 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.36 3hbx n TYR 188 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hbx s VAL 189 N -1.07 1.58 -0.04 -0.72 -7.23 -1.26 -4.75 120.40 106.91 3hbx s VAL 189 Ca 0.29 -1.69 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 3hbx s VAL 189 Cb 0.16 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 3hbx s VAL 189 CO 0.22 0.00 1.03 -0.32 -0.31 0.00 0.00 175.10 175.72 3hbx s MET 190 N -4.10 4.48 -0.32 4.82 1.75 -1.26 -4.89 119.30 119.78 3hbx s MET 190 Ca 0.25 1.47 -0.29 0.00 -1.25 0.00 0.00 55.69 55.87 3hbx s MET 190 Cb -0.00 -3.49 0.01 0.00 2.84 0.00 0.00 34.83 34.19 3hbx s MET 190 CO 0.15 -0.20 1.23 0.34 -0.65 0.00 0.00 175.02 175.89 3hbx s ASP 191 N 1.09 6.73 0.24 1.11 2.15 -1.26 -4.75 116.67 121.98 3hbx s ASP 191 Ca 0.52 1.09 -0.05 0.00 0.43 0.00 0.00 52.55 54.54 3hbx s ASP 191 Cb -0.21 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.31 3hbx s ASP 191 CO 0.24 -1.05 1.71 -0.65 -0.17 0.00 0.00 175.17 175.25 3hbx h PRO 192 N 8.99 0.35 0.65 4.34 0.11 -1.94 -1.61 132.00 142.87 3hbx h PRO 192 Ca -0.24 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 3hbx h PRO 192 Cb 1.08 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3hbx h PRO 192 CO 1.04 0.23 -0.34 0.37 -0.21 0.00 0.00 178.00 179.09 3hbx h GLN 193 N 0.36 -0.88 -0.62 1.05 5.75 -1.94 -1.18 115.11 117.64 3hbx h GLN 193 Ca 0.41 0.06 0.09 0.00 -0.15 0.00 0.00 58.65 59.06 3hbx h GLN 193 Cb 0.65 0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.36 3hbx h GLN 193 CO -0.44 -0.59 0.42 1.96 -2.65 0.00 0.00 178.83 177.53 3hbx h GLN 194 N -0.91 0.45 0.13 1.69 4.20 -1.91 -1.83 115.11 116.93 3hbx h GLN 194 Ca -0.08 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3hbx h GLN 194 Cb 0.72 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3hbx h GLN 194 CO 0.12 0.30 -0.06 0.00 -0.67 0.00 0.00 178.83 178.52 3hbx h ALA 195 N 1.68 -0.17 -0.21 3.87 0.00 -0.87 -2.69 119.26 120.88 3hbx h ALA 195 Ca 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hbx h ALA 195 Cb 0.51 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hbx h ALA 195 CO -0.08 -0.47 0.11 0.28 0.00 0.00 0.00 179.25 179.08 3hbx h VAL 196 N -0.41 1.07 0.00 0.00 2.07 -0.68 -1.35 116.25 116.95 3hbx h VAL 196 Ca -0.02 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3hbx h VAL 196 Cb 0.33 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hbx h VAL 196 CO 0.03 0.08 -0.27 0.44 0.02 0.00 0.00 177.57 177.87 3hbx h ASP 197 N 0.29 0.00 1.82 0.57 3.32 -1.20 -2.82 116.42 118.40 3hbx h ASP 197 Ca 0.08 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3hbx h ASP 197 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3hbx h ASP 197 CO -0.01 0.27 -0.18 0.24 -1.72 0.00 0.00 179.24 177.83 3hbx h MET 198 N 0.00 0.00 -6.62 3.56 2.86 -0.91 -3.46 114.93 110.36 3hbx h MET 198 Ca -0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 3hbx h MET 198 Cb 0.74 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.46 3hbx h MET 198 CO 0.04 0.07 0.96 0.28 1.06 0.00 0.00 176.91 179.31 3hbx n VAL 199 N -3.07 0.00 -4.13 -2.22 0.31 -1.06 -5.00 118.33 103.16 3hbx n VAL 199 Ca 0.03 -0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.29 3hbx n VAL 199 Cb 0.56 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.60 3hbx n VAL 199 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3hbx n ASP 200 N 3.85 0.89 0.31 4.52 5.68 -1.26 -5.03 116.55 125.52 3hbx n ASP 200 Ca 0.16 -1.59 0.20 0.00 -0.50 0.00 0.00 54.79 53.07 3hbx n ASP 200 Cb 0.33 0.30 1.01 0.00 -1.14 0.00 0.00 41.12 41.62 3hbx n ASP 200 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3hbx h GLU 201 N 0.00 0.00 -0.21 0.11 9.09 -2.00 -2.19 114.58 119.39 3hbx h GLU 201 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 3hbx h GLU 201 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 3hbx h GLU 201 CO 0.13 0.01 0.00 0.09 0.05 0.00 0.00 179.01 179.29 3hbx n ASN 202 N -3.14 2.59 -4.61 3.06 3.02 -1.26 -4.88 115.26 110.03 3hbx n ASN 202 Ca -0.02 -1.85 -0.43 0.00 -0.03 0.00 0.00 54.58 52.25 3hbx n ASN 202 Cb 0.16 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 3hbx n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hbx s THR 203 N -1.74 4.18 -0.12 3.41 2.01 -0.82 -0.59 115.64 121.96 3hbx s THR 203 Ca 0.35 1.24 0.21 0.00 0.31 0.00 0.00 61.69 63.80 3hbx s THR 203 Cb 0.20 -4.45 0.21 0.00 0.01 0.00 0.00 72.50 68.48 3hbx s THR 203 CO 0.30 -0.82 1.65 0.16 -0.69 0.00 0.00 174.62 175.21 3hbx h ILE 204 N 6.18 0.48 -1.36 1.82 3.07 -1.20 -3.46 117.51 123.03 3hbx h ILE 204 Ca -0.24 -1.43 0.30 0.00 1.55 0.00 0.00 64.86 65.04 3hbx h ILE 204 Cb 1.07 2.04 -0.17 0.00 -0.27 0.00 0.00 36.82 39.49 3hbx h ILE 204 CO 1.10 0.24 0.86 0.00 -1.05 0.00 0.00 178.15 179.30 3hbx s VAL 206 N -2.33 3.80 -0.37 0.00 1.01 -0.34 -2.37 120.40 119.81 3hbx s VAL 206 Ca 0.11 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3hbx s VAL 206 Cb 0.01 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 3hbx s VAL 206 CO -0.04 0.38 0.33 0.00 0.00 0.00 0.00 175.10 175.76 3hbx s ALA 207 N 1.54 3.49 0.03 5.51 0.00 -0.21 -1.13 121.76 130.97 3hbx s ALA 207 Ca 0.06 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 3hbx s ALA 207 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3hbx s ALA 207 CO -0.00 -1.20 0.24 0.00 0.00 0.00 0.00 175.76 174.80 3hbx s ALA 208 N 1.89 3.91 -0.27 0.00 0.00 0.51 -4.52 121.76 123.28 3hbx s ALA 208 Ca 0.09 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 3hbx s ALA 208 Cb -0.17 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 20.98 3hbx s ALA 208 CO 0.11 0.72 0.04 0.42 0.00 0.00 0.00 175.76 177.05 3hbx s ILE 209 N -1.39 3.77 -1.20 0.00 1.01 -1.26 0.16 121.20 122.30 3hbx s ILE 209 Ca 0.30 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 3hbx s ILE 209 Cb -0.13 -2.87 0.21 0.00 0.01 0.00 0.00 42.46 39.68 3hbx s ILE 209 CO 0.20 0.21 1.52 -0.11 0.00 0.00 0.00 174.94 176.75 3hbx n LEU 210 N 4.84 5.85 0.00 2.97 7.94 -0.51 -2.18 117.00 135.92 3hbx n LEU 210 Ca -0.16 -4.72 0.00 0.00 -1.11 0.00 0.00 56.01 50.02 3hbx n LEU 210 Cb 0.49 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.93 3hbx n LEU 210 CO 0.30 1.16 0.00 0.61 -1.11 0.00 0.00 177.39 178.35 3hbx n GLY 211 N 3.09 0.94 3.76 -3.96 0.00 -1.05 -2.50 105.19 105.47 3hbx n GLY 211 Ca 0.34 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3hbx n GLY 211 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hbx s SER 212 N 0.00 6.81 0.00 1.61 0.15 -0.47 -4.76 113.70 117.04 3hbx s SER 212 Ca 0.00 2.59 0.15 0.00 0.70 0.00 0.00 55.95 59.39 3hbx s SER 212 Cb 0.00 -2.63 0.75 0.00 -1.71 0.00 0.00 66.02 62.43 3hbx s SER 212 CO 0.00 -0.53 1.38 0.35 1.20 0.00 0.00 173.24 175.64 3hbx n THR 213 N 1.49 0.53 -0.04 6.45 -2.24 -1.26 0.20 114.28 119.40 3hbx n THR 213 Ca 0.02 0.13 -0.18 0.00 -2.27 0.00 0.00 64.05 61.76 3hbx n THR 213 Cb 0.42 -0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 67.62 3hbx n THR 213 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hbx n LEU 214 N -1.25 2.33 -0.23 3.22 4.77 -1.26 -4.72 117.00 119.86 3hbx n LEU 214 Ca 0.07 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3hbx n LEU 214 Cb 0.11 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 3hbx n LEU 214 CO 0.11 0.80 0.19 -0.46 -1.33 0.00 0.00 177.39 176.70 3hbx n ASN 215 N -3.32 0.00 -1.24 -1.43 6.94 -1.19 -4.87 115.26 110.15 3hbx n ASN 215 Ca -0.34 -1.27 -0.16 0.00 -0.02 0.00 0.00 54.58 52.79 3hbx n ASN 215 Cb 1.04 -0.05 -0.07 0.00 -2.36 0.00 0.00 39.78 38.34 3hbx n ASN 215 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hbx n GLY 216 N 0.00 1.59 3.78 4.83 0.00 0.13 -4.13 105.19 111.39 3hbx n GLY 216 Ca 0.00 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3hbx n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hbx s GLU 217 N -3.34 4.59 -0.02 1.61 2.12 -1.26 -0.65 118.70 121.76 3hbx s GLU 217 Ca 0.00 1.21 -0.26 0.00 0.36 0.00 0.00 54.97 56.28 3hbx s GLU 217 Cb 0.00 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 3hbx s GLU 217 CO 0.00 0.51 0.83 -0.06 -0.54 0.00 0.00 175.26 175.99 3hbx s PHE 218 N -1.26 3.64 0.53 5.30 0.08 -1.26 -1.37 117.98 123.65 3hbx s PHE 218 Ca 0.39 1.48 -0.18 0.00 0.12 0.00 0.00 56.93 58.74 3hbx s PHE 218 Cb -0.22 -2.94 -0.06 0.00 -0.57 0.00 0.00 43.02 39.22 3hbx s PHE 218 CO 0.27 0.08 1.04 -1.21 -0.10 0.00 0.00 175.22 175.30 3hbx s GLU 219 N 0.72 3.62 -1.30 0.44 2.02 -0.93 -4.89 118.70 118.37 3hbx s GLU 219 Ca 0.44 1.24 -0.17 0.00 0.02 0.00 0.00 54.97 56.49 3hbx s GLU 219 Cb -0.20 -2.07 0.02 0.00 0.10 0.00 0.00 34.13 31.98 3hbx s GLU 219 CO 0.23 -0.57 1.96 -3.47 0.02 0.00 0.00 175.26 173.43 3hbx n ASP 220 N -1.49 4.16 -0.26 -0.19 -0.08 -1.26 -4.75 116.55 112.67 3hbx n ASP 220 Ca 0.09 -2.85 -0.02 0.00 -1.51 0.00 0.00 54.79 50.50 3hbx n ASP 220 Cb 0.53 -1.66 0.17 0.00 2.34 0.00 0.00 41.12 42.50 3hbx n ASP 220 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3hbx h VAL 221 N 4.95 1.23 -0.67 5.18 2.07 -1.91 -2.05 116.25 125.06 3hbx h VAL 221 Ca 0.47 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3hbx h VAL 221 Cb 0.77 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3hbx h VAL 221 CO 1.64 0.25 0.38 0.50 0.02 0.00 0.00 177.57 180.36 3hbx h LYS 222 N 1.10 0.92 -0.32 1.57 3.64 -1.86 0.12 116.57 121.75 3hbx h LYS 222 Ca 0.28 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3hbx h LYS 222 Cb 0.00 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3hbx h LYS 222 CO -0.05 0.68 0.08 1.25 -2.27 0.00 0.00 179.45 179.14 3hbx h LEU 223 N 0.91 0.48 -0.76 5.20 5.85 -1.83 -0.81 115.31 124.35 3hbx h LEU 223 Ca 0.24 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.82 3hbx h LEU 223 Cb 0.02 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3hbx h LEU 223 CO -0.04 0.58 0.40 0.25 -0.34 0.00 0.00 178.44 179.30 3hbx h LEU 224 N 0.35 0.55 -0.36 2.25 5.85 -1.03 -0.51 115.31 122.41 3hbx h LEU 224 Ca 0.10 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3hbx h LEU 224 Cb 0.29 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3hbx h LEU 224 CO 0.00 0.31 0.14 -1.13 -0.34 0.00 0.00 178.44 177.42 3hbx h ASN 225 N 0.68 0.51 -0.25 1.25 -1.24 -0.70 -1.34 115.58 114.49 3hbx h ASN 225 Ca 0.37 -0.18 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 3hbx h ASN 225 Cb 0.36 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 3hbx h ASN 225 CO -0.26 0.55 0.16 0.44 -1.29 0.00 0.00 177.43 177.03 3hbx h ASP 226 N 0.44 0.30 -0.45 1.15 3.32 -0.42 -0.69 116.42 120.08 3hbx h ASP 226 Ca 0.12 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 3hbx h ASP 226 Cb 0.21 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3hbx h ASP 226 CO -0.01 0.26 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.63 3hbx h LEU 227 N 0.32 0.89 -0.62 1.55 3.38 -1.10 -2.93 115.31 116.79 3hbx h LEU 227 Ca 0.09 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 3hbx h LEU 227 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3hbx h LEU 227 CO -0.02 0.99 -0.68 0.25 0.09 0.00 0.00 178.44 179.07 3hbx h LEU 228 N 0.82 0.07 -0.67 1.67 6.46 -1.01 -1.78 115.31 120.86 3hbx h LEU 228 Ca 0.14 -0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.77 3hbx h LEU 228 Cb 0.58 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 3hbx h LEU 228 CO 0.04 0.72 0.09 0.58 -0.62 0.00 0.00 178.44 179.25 3hbx h VAL 229 N 0.04 1.27 0.06 1.05 2.07 -1.06 -0.46 116.25 119.21 3hbx h VAL 229 Ca -0.01 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3hbx h VAL 229 Cb 1.20 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3hbx h VAL 229 CO 0.09 0.40 -0.03 -0.33 0.02 0.00 0.00 177.57 177.73 3hbx h GLU 230 N 1.04 -0.07 -0.11 1.57 4.39 -1.31 -2.69 114.58 117.40 3hbx h GLU 230 Ca 0.20 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 3hbx h GLU 230 Cb 0.47 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3hbx h GLU 230 CO 0.02 0.10 0.01 -0.22 -1.16 0.00 0.00 179.01 177.76 3hbx h LYS 231 N -0.23 0.15 -0.23 2.33 3.64 -1.23 -1.74 116.57 119.26 3hbx h LYS 231 Ca -0.01 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3hbx h LYS 231 Cb 0.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3hbx h LYS 231 CO 0.01 0.16 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.23 3hbx h ASN 232 N 0.15 0.40 -0.32 4.20 2.35 -0.86 -0.21 115.58 121.29 3hbx h ASN 232 Ca 0.04 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 3hbx h ASN 232 Cb 0.09 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3hbx h ASN 232 CO 0.00 0.63 0.09 0.11 -1.65 0.00 0.00 177.43 176.61 3hbx h LYS 233 N 0.37 0.59 0.02 0.81 1.57 -0.99 -1.56 116.57 117.38 3hbx h LYS 233 Ca 0.06 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hbx h LYS 233 Cb 0.58 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3hbx h LYS 233 CO 0.04 0.55 -0.01 0.93 -0.57 0.00 0.00 179.45 180.39 3hbx h GLU 234 N 0.58 -0.02 -0.08 3.15 3.07 -1.37 -3.39 114.58 116.52 3hbx h GLU 234 Ca 0.13 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.91 3hbx h GLU 234 Cb 0.23 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3hbx h GLU 234 CO -0.00 -0.01 -0.32 1.79 -1.40 0.00 0.00 179.01 179.06 3hbx h THR 235 N -0.67 1.26 0.00 1.13 1.35 -1.12 -3.46 112.91 111.39 3hbx h THR 235 Ca -0.00 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 3hbx h THR 235 Cb 0.02 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3hbx h THR 235 CO 0.00 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 3hbx n GLY 236 N -0.47 2.80 3.76 5.82 0.00 -0.59 -5.00 105.19 111.51 3hbx n GLY 236 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3hbx n GLY 236 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hbx s TRP 237 N -2.59 2.54 -0.84 1.61 0.51 -1.26 -4.95 118.94 113.97 3hbx s TRP 237 Ca 0.00 1.50 0.01 0.00 -2.12 0.00 0.00 56.10 55.49 3hbx s TRP 237 Cb 0.00 -3.48 0.34 0.00 -0.81 0.00 0.00 33.47 29.52 3hbx s TRP 237 CO 0.00 -2.04 1.54 -3.47 -0.51 0.00 0.00 176.95 172.47 3hbx n ASP 238 N -1.17 6.35 -4.68 2.95 2.03 -1.26 -4.66 116.55 116.12 3hbx n ASP 238 Ca 0.11 -3.71 -0.42 0.00 0.52 0.00 0.00 54.79 51.29 3hbx n ASP 238 Cb 0.49 -0.93 -0.03 0.00 -0.72 0.00 0.00 41.12 39.93 3hbx n ASP 238 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3hbx s THR 239 N -4.55 2.98 0.41 5.18 2.01 -1.26 -4.99 115.64 115.43 3hbx s THR 239 Ca 0.44 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.72 3hbx s THR 239 Cb 0.26 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 3hbx s THR 239 CO -0.17 -0.01 0.62 -2.16 -0.69 0.00 0.00 174.62 172.21 3hbx s PRO 240 N 3.39 3.16 -0.08 4.92 0.05 -1.26 -4.95 135.00 140.23 3hbx s PRO 240 Ca 0.80 -0.52 0.02 0.00 0.05 0.00 0.00 61.00 61.35 3hbx s PRO 240 Cb -0.41 -2.61 -0.02 0.00 0.05 0.00 0.00 34.50 31.50 3hbx s PRO 240 CO 0.36 -0.14 -0.13 0.42 0.05 0.00 0.00 177.00 177.55 3hbx s ILE 241 N -2.46 3.10 -0.10 0.56 1.01 0.27 -1.20 121.20 122.38 3hbx s ILE 241 Ca 0.46 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3hbx s ILE 241 Cb -0.10 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 3hbx s ILE 241 CO 0.37 0.57 -0.15 -2.28 0.00 0.00 0.00 174.94 173.45 3hbx s HIS 242 N -0.39 2.74 -0.34 3.97 5.65 -0.29 -1.08 115.29 125.56 3hbx s HIS 242 Ca 0.04 -0.54 -0.10 0.00 0.25 0.00 0.00 55.06 54.71 3hbx s HIS 242 Cb -0.12 -1.76 0.00 0.00 -1.18 0.00 0.00 32.58 29.52 3hbx s HIS 242 CO 0.02 -0.11 0.18 0.08 -0.65 0.00 0.00 174.74 174.26 3hbx s VAL 243 N 0.02 4.66 -0.92 0.89 1.01 -0.91 -0.36 120.40 124.78 3hbx s VAL 243 Ca -0.05 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 3hbx s VAL 243 Cb -0.14 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.83 3hbx s VAL 243 CO 0.04 -0.05 1.36 -0.62 0.00 0.00 0.00 175.10 175.83 3hbx s ASP 244 N 1.60 6.40 -0.58 3.32 -1.08 0.12 -2.31 116.67 124.15 3hbx s ASP 244 Ca 0.04 -1.20 0.00 0.00 -0.52 0.00 0.00 52.55 50.87 3hbx s ASP 244 Cb -0.18 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.20 3hbx s ASP 244 CO 0.07 -1.56 1.86 0.00 0.52 0.00 0.00 175.17 176.05 3hbx n ALA 245 N 8.80 6.02 -0.34 3.66 0.00 -0.05 -1.42 120.51 137.18 3hbx n ALA 245 Ca 0.22 -3.51 0.04 0.00 0.00 0.00 0.00 53.44 50.19 3hbx n ALA 245 Cb 0.50 -1.46 0.11 0.00 0.00 0.00 0.00 19.45 18.60 3hbx n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hbx h ALA 246 N 1.97 0.53 0.00 0.00 0.00 -1.82 -0.78 119.26 119.16 3hbx h ALA 246 Ca 0.56 0.34 -0.32 0.00 0.00 0.00 0.00 54.91 55.50 3hbx h ALA 246 Cb 1.06 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 3hbx h ALA 246 CO 1.39 -0.43 -2.02 -1.13 0.00 0.00 0.00 179.25 177.06 3hbx n SER 247 N -5.57 1.51 0.33 0.00 3.41 -1.26 -0.73 113.62 111.31 3hbx n SER 247 Ca 0.13 0.26 0.20 0.00 -0.26 0.00 0.00 58.87 59.21 3hbx n SER 247 Cb 0.46 -0.62 1.07 0.00 -0.26 0.00 0.00 64.21 64.86 3hbx n SER 247 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hbx h GLY 248 N -0.76 0.00 1.68 5.00 0.00 -1.52 -2.80 103.07 104.68 3hbx h GLY 248 Ca -0.48 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.88 3hbx h GLY 248 CO -0.29 0.00 0.17 -1.33 0.00 0.00 0.00 176.54 175.09 3hbx h GLY 249 N 0.00 0.27 -2.61 4.60 0.00 -1.35 -1.39 103.07 102.59 3hbx h GLY 249 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3hbx h GLY 249 CO 0.00 0.09 0.00 0.69 0.00 0.00 0.00 176.54 177.32 3hbx n PHE 250 N -4.50 1.49 0.01 5.60 3.72 -1.05 -4.46 117.46 118.27 3hbx n PHE 250 Ca 0.01 -0.77 -0.00 0.00 -0.05 0.00 0.00 57.45 56.65 3hbx n PHE 250 Cb 0.14 -0.39 -0.00 0.00 -0.94 0.00 0.00 39.48 38.30 3hbx n PHE 250 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hbx n ILE 251 N 0.21 0.19 -0.09 4.37 5.41 -0.62 -4.78 119.36 124.04 3hbx n ILE 251 Ca 0.24 0.06 -0.06 0.00 1.00 0.00 0.00 62.75 64.00 3hbx n ILE 251 Cb 1.01 -1.51 0.01 0.00 -0.71 0.00 0.00 39.64 38.44 3hbx n ILE 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hbx h ALA 252 N -0.00 0.28 -0.02 -1.39 0.00 -1.54 0.03 119.26 116.63 3hbx h ALA 252 Ca -0.00 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hbx h ALA 252 Cb 0.85 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hbx h ALA 252 CO -0.00 -0.42 0.16 -1.35 0.00 0.00 0.00 179.25 177.64 3hbx h PRO 253 N 0.07 0.00 0.00 0.00 0.11 -1.79 0.17 132.00 130.55 3hbx h PRO 253 Ca 0.16 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.07 3hbx h PRO 253 Cb 0.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 3hbx h PRO 253 CO -0.29 0.00 -1.76 1.19 -0.21 0.00 0.00 178.00 176.94 3hbx n PHE 254 N -3.09 0.00 -0.01 0.65 3.72 -0.83 -4.36 117.46 113.53 3hbx n PHE 254 Ca -0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 3hbx n PHE 254 Cb 0.22 -0.52 -0.14 0.00 -0.94 0.00 0.00 39.48 38.10 3hbx n PHE 254 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hbx n LEU 255 N -2.69 2.67 -3.34 4.37 4.77 -0.06 -4.71 117.00 118.01 3hbx n LEU 255 Ca -0.21 0.17 -0.26 0.00 -0.03 0.00 0.00 56.01 55.68 3hbx n LEU 255 Cb 0.79 -1.09 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 3hbx n LEU 255 CO 0.17 0.86 -0.11 -1.22 -1.33 0.00 0.00 177.39 175.77 3hbx n TYR 256 N -3.47 1.72 0.24 -1.77 4.01 0.56 -4.91 117.16 113.53 3hbx n TYR 256 Ca -0.34 -3.87 0.09 0.00 -0.16 0.00 0.00 57.90 53.62 3hbx n TYR 256 Cb 1.03 -0.44 0.59 0.00 -0.31 0.00 0.00 39.34 40.21 3hbx n TYR 256 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hbx h PRO 257 N 4.20 0.00 -0.24 -0.72 0.11 -1.71 -2.83 132.00 130.80 3hbx h PRO 257 Ca 0.14 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.10 3hbx h PRO 257 Cb 0.77 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 3hbx h PRO 257 CO 0.65 0.19 -0.48 0.93 -0.21 0.00 0.00 178.00 179.08 3hbx h GLU 258 N 0.00 0.66 -6.34 1.05 3.07 -1.91 -3.44 114.58 107.66 3hbx h GLU 258 Ca -0.00 -0.38 -0.62 0.00 -0.50 0.00 0.00 59.36 57.86 3hbx h GLU 258 Cb 0.44 0.03 0.04 0.00 -0.84 0.00 0.00 28.75 28.41 3hbx h GLU 258 CO 0.03 0.99 0.91 -0.11 -1.40 0.00 0.00 179.01 179.43 3hbx n LEU 259 N -4.00 3.04 -4.49 1.33 7.94 -1.07 -4.94 117.00 114.81 3hbx n LEU 259 Ca -0.03 1.04 -0.43 0.00 -1.11 0.00 0.00 56.01 55.48 3hbx n LEU 259 Cb 0.57 -1.35 -0.07 0.00 0.53 0.00 0.00 43.42 43.10 3hbx n LEU 259 CO 0.47 -0.27 0.26 -1.61 -1.11 0.00 0.00 177.39 175.13 3hbx s GLU 260 N 2.55 3.18 0.00 1.96 2.02 -1.26 -4.76 118.70 122.39 3hbx s GLU 260 Ca 0.88 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.25 3hbx s GLU 260 Cb -0.75 -3.98 0.00 0.00 0.10 0.00 0.00 34.13 29.49 3hbx s GLU 260 CO 0.48 -0.98 0.00 -2.67 0.02 0.00 0.00 175.26 172.10 3hbx n TRP 261 N 5.98 0.00 -0.66 1.61 4.27 -1.26 -3.92 117.44 123.47 3hbx n TRP 261 Ca -0.05 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.56 3hbx n TRP 261 Cb 0.47 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.42 3hbx n TRP 261 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 3hbx n ASP 262 N 0.00 0.00 0.00 -0.67 5.68 -1.26 -4.87 116.55 115.43 3hbx n ASP 262 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 3hbx n ASP 262 Cb 0.00 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.28 3hbx n ASP 262 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3hbx n PHE 263 N 0.00 0.00 0.25 2.11 3.72 -1.00 -1.20 117.46 121.35 3hbx n PHE 263 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 3hbx n PHE 263 Cb 0.00 -0.29 0.63 0.00 -0.94 0.00 0.00 39.48 38.88 3hbx n PHE 263 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hbx h ARG 264 N 0.00 0.00 -5.88 -1.08 3.08 -1.77 -3.39 114.38 105.34 3hbx h ARG 264 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3hbx h ARG 264 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.09 3hbx h ARG 264 CO 0.00 0.10 0.39 -0.51 -1.07 0.00 0.00 179.97 178.88 3hbx s LEU 265 N -8.42 4.15 0.40 3.04 1.43 -0.34 -4.96 118.68 113.98 3hbx s LEU 265 Ca -0.04 1.11 0.11 0.00 -1.03 0.00 0.00 54.13 54.28 3hbx s LEU 265 Cb 0.16 -3.20 0.91 0.00 0.03 0.00 0.00 46.19 44.08 3hbx s LEU 265 CO 0.65 -0.42 1.94 -0.65 0.23 0.00 0.00 176.35 178.10 3hbx h PRO 266 N 7.43 0.55 0.00 1.29 0.11 -1.87 -2.32 132.00 137.21 3hbx h PRO 266 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3hbx h PRO 266 Cb 1.12 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hbx h PRO 266 CO 0.84 0.37 -0.13 1.28 -0.21 0.00 0.00 178.00 180.15 3hbx n LEU 267 N -4.49 0.68 -4.60 2.35 4.77 -1.26 -4.73 117.00 109.71 3hbx n LEU 267 Ca 0.12 0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 56.16 3hbx n LEU 267 Cb 0.38 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3hbx n LEU 267 CO 0.33 -0.12 1.32 -0.69 -1.33 0.00 0.00 177.39 176.90 3hbx s VAL 268 N -3.10 3.78 -0.10 4.08 1.01 -0.87 -0.57 120.40 124.64 3hbx s VAL 268 Ca 0.10 0.81 0.19 0.00 0.00 0.00 0.00 61.98 63.09 3hbx s VAL 268 Cb 0.14 -4.00 -0.28 0.00 0.00 0.00 0.00 36.38 32.23 3hbx s VAL 268 CO 0.61 -0.60 0.28 0.29 0.00 0.00 0.00 175.10 175.68 3hbx n LYS 269 N 8.08 0.74 -3.61 2.72 4.76 -0.24 -4.74 118.16 125.88 3hbx n LYS 269 Ca 0.18 -0.11 -0.16 0.00 -2.87 0.00 0.00 58.31 55.35 3hbx n LYS 269 Cb 0.47 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.11 3hbx n LYS 269 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hbx s SER 270 N -4.78 -0.49 -0.01 4.39 1.04 -1.24 -0.57 113.70 112.03 3hbx s SER 270 Ca -0.08 0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.85 3hbx s SER 270 Cb 0.10 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 3hbx s SER 270 CO 0.82 -0.55 -0.06 -0.63 0.98 0.00 0.00 173.24 173.80 3hbx s ILE 271 N -1.26 0.47 0.10 -1.02 1.01 -0.19 -2.15 121.20 118.17 3hbx s ILE 271 Ca -0.12 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.37 3hbx s ILE 271 Cb -0.02 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 3hbx s ILE 271 CO 0.08 0.14 -0.16 0.54 0.00 0.00 0.00 174.94 175.54 3hbx s ASN 272 N -0.03 4.03 -0.09 3.58 4.22 -0.98 -0.30 114.94 125.36 3hbx s ASN 272 Ca 0.01 -0.48 -0.15 0.00 -2.14 0.00 0.00 52.86 50.10 3hbx s ASN 272 Cb -0.04 -0.65 0.03 0.00 1.28 0.00 0.00 41.25 41.88 3hbx s ASN 272 CO -0.00 0.19 0.38 0.54 -2.04 0.00 0.00 177.10 176.17 3hbx s VAL 273 N -1.13 0.02 -0.33 3.54 0.11 -0.33 -0.88 120.40 121.41 3hbx s VAL 273 Ca 0.18 -0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 58.91 3hbx s VAL 273 Cb -0.11 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 3hbx s VAL 273 CO 0.10 -0.09 0.36 -0.44 -3.33 0.00 0.00 175.10 171.70 3hbx s SER 274 N -0.42 6.19 0.38 3.54 0.01 0.09 -0.41 113.70 123.07 3hbx s SER 274 Ca -0.06 -0.14 0.11 0.00 1.31 0.00 0.00 55.95 57.18 3hbx s SER 274 Cb -0.03 -2.20 0.75 0.00 0.21 0.00 0.00 66.02 64.74 3hbx s SER 274 CO 0.02 -0.31 1.86 1.23 0.41 0.00 0.00 173.24 176.46 3hbx h GLY 275 N 8.72 0.12 -3.37 3.44 0.00 -1.47 -3.27 103.07 107.24 3hbx h GLY 275 Ca -0.30 -0.09 -0.23 0.00 0.00 0.00 0.00 47.33 46.71 3hbx h GLY 275 CO 0.68 0.08 0.27 -2.39 0.00 0.00 0.00 176.54 175.19 3hbx n HIS 276 N -4.18 1.04 0.00 5.60 1.44 -0.97 -2.21 115.22 115.94 3hbx n HIS 276 Ca -0.02 -1.66 0.00 0.00 -2.01 0.00 0.00 57.72 54.03 3hbx n HIS 276 Cb 0.35 -0.84 0.00 0.00 0.12 0.00 0.00 29.99 29.61 3hbx n HIS 276 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3hbx n TYR 278 N 0.76 0.00 1.17 -1.40 4.02 -1.25 -0.32 117.16 120.14 3hbx n TYR 278 Ca 0.22 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.25 3hbx n TYR 278 Cb 0.56 0.00 0.66 0.00 -0.02 0.00 0.00 39.34 40.54 3hbx n TYR 278 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hbx n GLY 279 N -0.40 -1.35 2.56 2.72 0.00 -1.01 -4.78 105.19 102.93 3hbx n GLY 279 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 3hbx n GLY 279 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbx n LEU 280 N -1.39 -2.41 -4.36 0.99 4.77 -0.94 -4.94 117.00 108.72 3hbx n LEU 280 Ca 0.10 -0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 3hbx n LEU 280 Cb 0.28 -1.96 -0.12 0.00 -2.33 0.00 0.00 43.42 39.29 3hbx n LEU 280 CO 0.24 0.22 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.31 3hbx s VAL 281 N -3.00 2.03 0.88 4.08 1.01 -0.98 -4.93 120.40 119.48 3hbx s VAL 281 Ca 0.23 -1.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.22 3hbx s VAL 281 Cb -0.10 -1.90 0.12 0.00 0.00 0.00 0.00 36.38 34.50 3hbx s VAL 281 CO 0.29 -0.16 1.16 -0.31 0.00 0.00 0.00 175.10 176.07 3hbx s TYR 282 N -1.67 1.71 0.25 5.22 2.02 -1.26 -4.14 117.35 119.48 3hbx s TYR 282 Ca 0.16 1.75 -0.31 0.00 -0.37 0.00 0.00 57.07 58.30 3hbx s TYR 282 Cb -0.08 -3.37 -0.14 0.00 -0.40 0.00 0.00 41.96 37.97 3hbx s TYR 282 CO 0.07 -2.78 1.27 0.00 -1.57 0.00 0.00 175.55 172.55 3hbx n ALA 283 N -3.92 0.53 0.00 3.71 0.00 -1.26 -4.35 120.51 115.21 3hbx n ALA 283 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3hbx n ALA 283 Cb 0.52 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3hbx n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbx n GLY 284 N 1.76 1.21 3.17 0.00 0.00 -1.26 -5.00 105.19 105.08 3hbx n GLY 284 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 3hbx n GLY 284 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hbx s ILE 285 N -1.21 -0.12 0.23 -0.61 1.10 0.16 -4.61 121.20 116.15 3hbx s ILE 285 Ca 0.00 0.13 0.01 0.00 -0.51 0.00 0.00 60.65 60.28 3hbx s ILE 285 Cb 0.00 -0.52 -0.04 0.00 0.15 0.00 0.00 42.46 42.05 3hbx s ILE 285 CO 0.00 0.06 0.14 -0.83 -2.11 0.00 0.00 174.94 172.19 3hbx s GLY 286 N 1.54 1.65 -0.01 1.50 0.00 0.14 -1.26 107.32 110.89 3hbx s GLY 286 Ca -0.08 -1.77 -0.07 0.00 0.00 0.00 0.00 44.72 42.80 3hbx s GLY 286 CO -0.11 -1.47 0.13 -0.98 0.00 0.00 0.00 173.10 170.67 3hbx s TRP 287 N -3.95 0.02 -0.04 1.90 0.52 0.45 0.22 118.94 118.05 3hbx s TRP 287 Ca 0.39 -0.06 -0.00 0.00 0.02 0.00 0.00 56.10 56.45 3hbx s TRP 287 Cb 0.07 -0.04 0.03 0.00 -1.15 0.00 0.00 33.47 32.38 3hbx s TRP 287 CO 0.14 -0.24 0.00 0.54 0.02 0.00 0.00 176.95 177.41 3hbx s VAL 288 N -1.12 0.20 -0.02 4.03 0.11 -0.85 -1.18 120.40 121.56 3hbx s VAL 288 Ca -0.12 0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.09 3hbx s VAL 288 Cb -0.07 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 3hbx s VAL 288 CO 0.01 0.17 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.18 3hbx s ILE 289 N 1.29 3.03 -0.04 7.04 -1.09 0.58 -1.81 121.20 130.20 3hbx s ILE 289 Ca -0.06 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 57.53 3hbx s ILE 289 Cb -0.13 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 3hbx s ILE 289 CO -0.02 0.51 -0.08 0.26 -1.23 0.00 0.00 174.94 174.38 3hbx s TRP 290 N -0.80 2.88 0.13 3.97 0.51 0.21 -1.02 118.94 124.81 3hbx s TRP 290 Ca 0.13 -0.03 -0.20 0.00 -2.12 0.00 0.00 56.10 53.88 3hbx s TRP 290 Cb -0.11 -1.66 -0.03 0.00 -0.81 0.00 0.00 33.47 30.86 3hbx s TRP 290 CO 0.02 0.32 1.71 -0.09 -0.51 0.00 0.00 176.95 178.40 3hbx h ARG 291 N 5.04 0.01 -4.36 4.98 2.43 -1.13 -3.40 114.38 117.94 3hbx h ARG 291 Ca -0.48 -0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.50 3hbx h ARG 291 Cb 1.17 -0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.57 3hbx h ARG 291 CO 0.52 0.00 -0.55 -0.80 -1.51 0.00 0.00 179.97 177.64 3hbx s ASN 292 N -5.21 0.17 0.49 -3.80 0.01 -1.26 -4.35 114.94 100.99 3hbx s ASN 292 Ca -0.13 -1.22 0.15 0.00 -0.71 0.00 0.00 52.86 50.94 3hbx s ASN 292 Cb 0.10 0.37 1.17 0.00 0.41 0.00 0.00 41.25 43.30 3hbx s ASN 292 CO 0.68 -0.83 2.09 0.50 -1.51 0.00 0.00 177.10 178.04 3hbx h LYS 293 N 2.67 0.16 0.00 -0.60 3.64 -1.95 -1.89 116.57 118.60 3hbx h LYS 293 Ca -0.34 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 3hbx h LYS 293 Cb 1.23 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3hbx h LYS 293 CO 0.53 0.11 -0.03 1.05 -2.27 0.00 0.00 179.45 178.84 3hbx h GLU 294 N 0.17 0.00 -0.00 1.90 4.11 -1.99 -2.43 114.58 116.35 3hbx h GLU 294 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 3hbx h GLU 294 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hbx h GLU 294 CO -0.02 0.03 -0.06 -0.25 0.07 0.00 0.00 179.01 178.78 3hbx n ASP 295 N -3.19 0.09 -4.02 3.06 8.00 -0.71 -4.40 116.55 115.39 3hbx n ASP 295 Ca -0.01 0.19 -0.32 0.00 0.71 0.00 0.00 54.79 55.36 3hbx n ASP 295 Cb 0.21 -0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.84 3hbx n ASP 295 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hbx s LEU 296 N -2.86 4.75 0.03 0.64 0.20 -0.91 -4.73 118.68 115.79 3hbx s LEU 296 Ca 0.18 -2.52 -0.37 0.00 0.69 0.00 0.00 54.13 52.12 3hbx s LEU 296 Cb 0.19 -1.69 -0.16 0.00 -0.43 0.00 0.00 46.19 44.10 3hbx s LEU 296 CO 0.53 -0.35 1.46 -2.65 -0.29 0.00 0.00 176.35 175.04 3hbx n PRO 297 N 3.82 1.31 0.27 0.98 -0.02 -1.26 -4.84 135.00 135.26 3hbx n PRO 297 Ca 0.04 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3hbx n PRO 297 Cb 0.38 -2.15 0.76 0.00 -0.02 0.00 0.00 33.50 32.47 3hbx n PRO 297 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hbx h GLU 298 N 5.34 0.00 0.00 -0.52 4.57 -1.94 -2.20 114.58 119.84 3hbx h GLU 298 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3hbx h GLU 298 Cb 1.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3hbx h GLU 298 CO 0.83 0.07 0.00 -0.85 -1.18 0.00 0.00 179.01 177.87 3hbx n GLU 299 N -3.94 0.21 0.09 1.92 0.00 -1.26 -2.20 120.64 115.46 3hbx n GLU 299 Ca -0.03 0.07 0.13 0.00 0.00 0.00 0.00 57.16 57.33 3hbx n GLU 299 Cb 0.16 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.39 3hbx n GLU 299 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3hbx h LEU 300 N 0.00 0.00 -9.55 -1.84 3.38 -1.76 -3.46 115.31 102.08 3hbx h LEU 300 Ca 0.00 -0.09 -0.58 0.00 0.09 0.00 0.00 57.88 57.30 3hbx h LEU 300 Cb 0.30 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 3hbx h LEU 300 CO 0.00 0.05 -0.08 -0.63 0.09 0.00 0.00 178.44 177.86 3hbx s ILE 301 N -3.14 4.96 0.19 1.22 1.01 -0.93 -4.81 121.20 119.70 3hbx s ILE 301 Ca 0.08 1.09 0.07 0.00 0.00 0.00 0.00 60.65 61.89 3hbx s ILE 301 Cb 0.12 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3hbx s ILE 301 CO 0.66 0.46 0.08 -0.36 0.00 0.00 0.00 174.94 175.77 3hbx s PHE 302 N -0.39 2.98 -0.26 3.97 0.40 -0.70 -4.95 117.98 119.03 3hbx s PHE 302 Ca 0.28 -0.10 -0.02 0.00 -0.60 0.00 0.00 56.93 56.49 3hbx s PHE 302 Cb -0.17 -1.41 0.08 0.00 0.51 0.00 0.00 43.02 42.02 3hbx s PHE 302 CO 0.15 0.53 0.08 -1.01 0.70 0.00 0.00 175.22 175.67 3hbx s HIS 303 N -1.85 1.11 0.37 0.36 3.76 -1.25 -1.41 115.29 116.38 3hbx s HIS 303 Ca 0.30 -1.17 0.07 0.00 -0.15 0.00 0.00 55.06 54.11 3hbx s HIS 303 Cb -0.09 -1.24 -0.00 0.00 1.11 0.00 0.00 32.58 32.35 3hbx s HIS 303 CO 0.21 -0.75 0.51 0.96 -0.85 0.00 0.00 174.74 174.82 3hbx s ILE 304 N 1.83 3.66 0.00 0.60 -4.36 -1.23 -4.78 121.20 116.91 3hbx s ILE 304 Ca 0.05 -1.00 0.04 0.00 -0.26 0.00 0.00 60.65 59.49 3hbx s ILE 304 Cb -0.17 -3.25 0.07 0.00 1.25 0.00 0.00 42.46 40.36 3hbx s ILE 304 CO -0.20 -0.10 0.86 -0.46 0.24 0.00 0.00 174.94 175.29 3hbx n ASN 305 N -1.72 -0.16 -0.56 4.36 0.23 -1.25 -2.87 115.26 113.29 3hbx n ASN 305 Ca 0.03 -1.67 0.13 0.00 -0.53 0.00 0.00 54.58 52.54 3hbx n ASN 305 Cb 0.58 0.02 0.45 0.00 -2.08 0.00 0.00 39.78 38.75 3hbx n ASN 305 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hbx n TYR 306 N 0.08 0.04 0.46 -2.53 0.18 -1.26 -3.86 117.16 110.28 3hbx n TYR 306 Ca -0.08 -0.02 0.05 0.00 1.88 0.00 0.00 57.90 59.72 3hbx n TYR 306 Cb 0.71 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.61 3hbx n TYR 306 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3hbx n LEU 307 N 0.36 0.46 0.00 -3.48 4.77 -1.26 -5.01 117.00 112.84 3hbx n LEU 307 Ca 0.18 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3hbx n LEU 307 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3hbx n LEU 307 CO 0.16 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3hbx n GLY 308 N 1.27 1.17 2.41 -0.72 0.00 -1.25 -4.85 105.19 103.22 3hbx n GLY 308 Ca 0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 3hbx n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbx n ALA 309 N 0.00 -0.64 -2.18 4.61 0.00 -1.26 -5.04 120.51 116.00 3hbx n ALA 309 Ca 0.00 -1.01 -0.40 0.00 0.00 0.00 0.00 53.44 52.04 3hbx n ALA 309 Cb 0.00 0.81 -0.05 0.00 0.00 0.00 0.00 19.45 20.20 3hbx n ALA 309 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3hbx s ASP 310 N -2.45 7.32 -0.01 0.00 1.47 -1.21 -3.86 116.67 117.91 3hbx s ASP 310 Ca 0.16 1.56 0.00 0.00 1.18 0.00 0.00 52.55 55.46 3hbx s ASP 310 Cb -0.02 -2.49 0.02 0.00 -0.34 0.00 0.00 42.92 40.09 3hbx s ASP 310 CO 0.12 0.11 0.01 0.00 0.68 0.00 0.00 175.17 176.09 3hbx s GLN 311 N -0.62 0.07 -1.14 2.11 -2.07 -1.14 -4.93 119.66 111.94 3hbx s GLN 311 Ca 0.37 0.07 -0.20 0.00 -1.82 0.00 0.00 55.36 53.78 3hbx s GLN 311 Cb -0.22 -0.21 0.07 0.00 -1.09 0.00 0.00 33.01 31.56 3hbx s GLN 311 CO 0.25 -0.08 1.55 -2.14 -1.32 0.00 0.00 175.29 173.55 3hbx s PRO 312 N 0.57 3.79 -0.14 9.60 0.02 -1.25 -3.54 135.00 144.06 3hbx s PRO 312 Ca -0.05 -1.62 -0.06 0.00 0.02 0.00 0.00 61.00 59.28 3hbx s PRO 312 Cb -0.07 -5.39 -0.04 0.00 0.02 0.00 0.00 34.50 29.02 3hbx s PRO 312 CO -0.01 -2.17 0.10 0.95 -0.33 0.00 0.00 177.00 175.53 3hbx s THR 313 N 4.30 5.12 -0.45 0.99 -4.23 -0.50 -4.91 115.64 115.96 3hbx s THR 313 Ca 0.48 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 61.10 3hbx s THR 313 Cb 0.01 -3.25 0.18 0.00 1.34 0.00 0.00 72.50 70.78 3hbx s THR 313 CO -0.02 0.56 0.37 0.33 -0.54 0.00 0.00 174.62 175.32 3hbx n PHE 314 N 2.55 -0.35 -3.81 3.99 7.35 -1.26 -1.73 117.46 124.19 3hbx n PHE 314 Ca -0.18 -3.45 -0.10 0.00 -0.76 0.00 0.00 57.45 52.95 3hbx n PHE 314 Cb 0.54 0.11 -0.08 0.00 0.35 0.00 0.00 39.48 40.41 3hbx n PHE 314 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hbx s THR 315 N -0.23 0.11 -0.61 -2.13 -4.23 -1.26 -4.99 115.64 102.30 3hbx s THR 315 Ca 0.32 -0.91 0.25 0.00 -1.18 0.00 0.00 61.69 60.17 3hbx s THR 315 Cb 0.04 -1.06 0.16 0.00 1.34 0.00 0.00 72.50 72.98 3hbx s THR 315 CO -0.19 -0.50 1.48 -0.07 -0.54 0.00 0.00 174.62 174.80 3hbx h LEU 316 N 3.13 0.00-10.28 4.79 3.38 -1.99 -3.46 115.31 110.88 3hbx h LEU 316 Ca -0.33 -0.10 -0.45 0.00 0.09 0.00 0.00 57.88 57.09 3hbx h LEU 316 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3hbx h LEU 316 CO 0.50 0.05 -0.34 0.20 0.09 0.00 0.00 178.44 178.94 3hbx s ASN 317 N -4.66 5.59 0.00 -0.43 0.01 -1.26 -5.10 114.94 109.09 3hbx s ASN 317 Ca 0.07 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 3hbx s ASN 317 Cb 0.12 -0.90 0.00 0.00 0.41 0.00 0.00 41.25 40.88 3hbx s ASN 317 CO 0.68 -0.55 0.00 0.33 -1.51 0.00 0.00 177.10 176.05 3hbx n PHE 318 N -1.64 0.00 -2.04 2.20 7.35 -1.26 -5.05 117.46 117.02 3hbx n PHE 318 Ca 0.03 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.31 3hbx n PHE 318 Cb 0.59 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.40 3hbx n PHE 318 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3hbx s SER 319 N 1.00 6.68 -0.10 -2.13 0.01 -1.26 -4.41 113.70 113.49 3hbx s SER 319 Ca 0.00 2.70 -0.32 0.00 1.31 0.00 0.00 55.95 59.64 3hbx s SER 319 Cb 0.00 -2.64 0.12 0.00 0.21 0.00 0.00 66.02 63.71 3hbx s SER 319 CO 0.00 -0.65 1.04 -1.59 0.41 0.00 0.00 173.24 172.45 3hbx s LYS 320 N -1.02 0.57 0.58 12.44 -2.85 -1.26 -5.01 119.74 123.20 3hbx s LYS 320 Ca 0.55 -0.21 -0.20 0.00 -1.00 0.00 0.00 55.97 55.11 3hbx s LYS 320 Cb -0.41 0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 35.59 3hbx s LYS 320 CO 0.48 -0.25 1.31 0.20 0.10 0.00 0.00 175.35 177.19 3hbx s GLY 321 N -2.32 2.85 0.00 0.59 0.00 -1.26 -0.76 107.32 106.42 3hbx s GLY 321 Ca 0.07 1.23 0.13 0.00 0.00 0.00 0.00 44.72 46.15 3hbx s GLY 321 CO -0.07 1.69 1.09 -1.14 0.00 0.00 0.00 173.10 174.67 3hbx n SER 322 N -1.39 2.53 -0.22 1.64 3.41 -1.12 -4.58 113.62 113.89 3hbx n SER 322 Ca 0.13 -1.75 -0.07 0.00 -0.26 0.00 0.00 58.87 56.92 3hbx n SER 322 Cb 0.47 -0.12 0.06 0.00 -0.26 0.00 0.00 64.21 64.36 3hbx n SER 322 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hbx h SER 323 N 2.51 1.03 -0.10 4.04 4.64 -1.84 -2.41 113.55 121.41 3hbx h SER 323 Ca 0.00 -0.24 -0.12 0.00 -0.47 0.00 0.00 61.79 60.96 3hbx h SER 323 Cb 0.65 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3hbx h SER 323 CO 0.00 1.02 -0.34 1.56 -0.87 0.00 0.00 176.83 178.19 3hbx h GLN 324 N 1.01 0.60 0.13 4.77 7.50 -1.87 0.18 115.11 127.42 3hbx h GLN 324 Ca 0.20 -0.28 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 3hbx h GLN 324 Cb 0.43 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.95 3hbx h GLN 324 CO 0.01 0.86 -0.06 0.28 -1.50 0.00 0.00 178.83 178.42 3hbx h VAL 325 N 0.50 0.89 -0.60 -0.54 2.07 -1.83 0.87 116.25 117.62 3hbx h VAL 325 Ca 0.05 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3hbx h VAL 325 Cb 0.83 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3hbx h VAL 325 CO 0.07 0.02 0.39 0.40 0.02 0.00 0.00 177.57 178.47 3hbx h ILE 326 N -0.22 1.13 -1.01 4.57 2.04 -1.29 -1.94 117.51 120.79 3hbx h ILE 326 Ca -0.02 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3hbx h ILE 326 Cb 0.17 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 3hbx h ILE 326 CO 0.03 0.14 0.66 0.00 0.00 0.00 0.00 178.15 178.98 3hbx h ALA 327 N 1.23 1.34 -0.19 1.87 0.00 -0.41 -0.91 119.26 122.19 3hbx h ALA 327 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hbx h ALA 327 Cb -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3hbx h ALA 327 CO -0.07 0.54 0.09 0.37 0.00 0.00 0.00 179.25 180.18 3hbx h GLN 328 N 1.26 0.28 -0.91 0.00 5.75 -0.25 -1.58 115.11 119.66 3hbx h GLN 328 Ca 0.41 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 3hbx h GLN 328 Cb 0.02 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 3hbx h GLN 328 CO -0.13 0.31 0.58 -0.92 -2.65 0.00 0.00 178.83 176.02 3hbx h TYR 329 N 0.17 1.16 0.18 3.99 3.20 -0.96 -0.86 116.97 123.85 3hbx h TYR 329 Ca 0.06 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.96 3hbx h TYR 329 Cb 0.13 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 3hbx h TYR 329 CO -0.02 0.75 -0.29 -0.92 -1.64 0.00 0.00 178.16 176.04 3hbx h TYR 330 N 1.24 -0.78 -0.71 -3.82 3.20 -0.92 -1.80 116.97 113.38 3hbx h TYR 330 Ca 0.33 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.30 3hbx h TYR 330 Cb -0.10 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 3hbx h TYR 330 CO -0.00 -0.40 0.35 1.96 -1.64 0.00 0.00 178.16 178.42 3hbx h GLN 331 N -0.54 0.58 0.38 1.82 1.08 -0.85 0.80 115.11 118.38 3hbx h GLN 331 Ca 0.02 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3hbx h GLN 331 Cb 0.54 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3hbx h GLN 331 CO -0.13 0.38 -0.18 -0.07 -0.95 0.00 0.00 178.83 177.88 3hbx h LEU 332 N 0.60 -0.43 0.00 1.46 3.38 -0.81 -0.59 115.31 118.92 3hbx h LEU 332 Ca 0.35 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 3hbx h LEU 332 Cb 0.37 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hbx h LEU 332 CO -0.27 -0.27 -0.12 0.16 0.09 0.00 0.00 178.44 178.03 3hbx h ILE 333 N -0.56 0.21 0.18 1.22 -0.00 -1.19 -0.83 117.51 116.54 3hbx h ILE 333 Ca -0.05 -1.30 -0.27 0.00 -0.00 0.00 0.00 64.86 63.24 3hbx h ILE 333 Cb 0.42 2.10 0.02 0.00 -0.00 0.00 0.00 36.82 39.37 3hbx h ILE 333 CO 0.09 0.12 -1.25 -0.09 -0.00 0.00 0.00 178.15 177.01 3hbx h ARG 334 N 0.00 0.38 0.05 0.16 1.12 -0.80 -3.39 114.38 111.90 3hbx h ARG 334 Ca -0.00 -0.66 -0.22 0.00 -1.11 0.00 0.00 59.98 57.99 3hbx h ARG 334 Cb 1.09 0.24 -0.02 0.00 -0.01 0.00 0.00 29.97 31.28 3hbx h ARG 334 CO 0.02 1.31 -1.15 -0.07 -3.11 0.00 0.00 179.97 176.97 3hbx h LEU 335 N -0.13 0.18 0.00 3.80 3.38 -1.19 -3.47 115.31 117.87 3hbx h LEU 335 Ca -0.23 -0.75 0.12 0.00 0.09 0.00 0.00 57.88 57.11 3hbx h LEU 335 Cb 1.89 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.56 3hbx h LEU 335 CO 0.18 1.48 -0.16 0.61 0.09 0.00 0.00 178.44 180.64 3hbx n GLY 336 N 1.62 -1.51 0.23 0.83 0.00 -0.32 -0.93 105.19 105.12 3hbx n GLY 336 Ca -0.26 -1.15 -0.00 0.00 0.00 0.00 0.00 46.02 44.61 3hbx n GLY 336 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hbx h HIS 337 N -0.42 0.41 -0.03 1.61 3.86 -1.97 -2.56 115.15 116.06 3hbx h HIS 337 Ca 0.01 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3hbx h HIS 337 Cb 0.41 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 3hbx h HIS 337 CO 0.00 0.11 -0.21 1.49 0.86 0.00 0.00 177.93 180.18 3hbx h GLU 338 N 0.42 -0.32 -0.14 2.45 4.81 -2.00 -0.54 114.58 119.26 3hbx h GLU 338 Ca 0.30 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3hbx h GLU 338 Cb 0.36 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3hbx h GLU 338 CO -0.29 -0.21 0.09 0.78 -0.73 0.00 0.00 179.01 178.64 3hbx h GLY 339 N -0.33 0.21 1.10 1.92 0.00 -0.82 -1.28 103.07 103.86 3hbx h GLY 339 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3hbx h GLY 339 CO -0.21 0.08 0.43 -0.97 0.00 0.00 0.00 176.54 175.87 3hbx h TYR 340 N 0.16 1.16 -0.32 5.60 0.05 -1.32 -1.01 116.97 121.30 3hbx h TYR 340 Ca 0.05 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3hbx h TYR 340 Cb 0.02 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.38 3hbx h TYR 340 CO -0.05 0.82 0.15 -0.09 -1.05 0.00 0.00 178.16 177.93 3hbx h ARG 341 N 1.17 0.46 -0.64 4.88 2.43 -0.86 -0.95 114.38 120.87 3hbx h ARG 341 Ca 0.29 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3hbx h ARG 341 Cb 0.07 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3hbx h ARG 341 CO -0.04 0.44 0.40 -0.91 -1.51 0.00 0.00 179.97 178.35 3hbx h ASN 342 N 0.37 0.65 -0.38 -3.80 2.35 -0.83 0.11 115.58 114.05 3hbx h ASN 342 Ca 0.11 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3hbx h ASN 342 Cb 0.14 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3hbx h ASN 342 CO -0.01 0.45 0.05 0.58 -1.65 0.00 0.00 177.43 176.85 3hbx h VAL 343 N 0.78 1.24 -0.55 2.81 2.07 -1.00 -1.56 116.25 120.04 3hbx h VAL 343 Ca 0.25 -0.88 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 3hbx h VAL 343 Cb 0.01 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3hbx h VAL 343 CO -0.10 0.30 -0.10 0.24 0.02 0.00 0.00 177.57 177.93 3hbx h MET 344 N 0.48 1.04 -0.65 1.57 2.86 -0.91 -1.07 114.93 118.25 3hbx h MET 344 Ca 0.11 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3hbx h MET 344 Cb 0.38 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3hbx h MET 344 CO 0.01 1.08 0.37 0.93 1.06 0.00 0.00 176.91 180.36 3hbx h GLU 345 N 0.92 0.89 -0.86 1.72 5.08 -0.71 0.15 114.58 121.78 3hbx h GLU 345 Ca 0.14 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hbx h GLU 345 Cb 0.67 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3hbx h GLU 345 CO 0.05 0.66 0.53 -0.91 -1.00 0.00 0.00 179.01 178.33 3hbx h ASN 346 N 0.88 1.03 -0.42 1.42 2.35 -1.05 0.29 115.58 120.07 3hbx h ASN 346 Ca 0.23 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 3hbx h ASN 346 Cb 0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3hbx h ASN 346 CO -0.04 0.78 0.03 0.00 -1.65 0.00 0.00 177.43 176.55 3hbx h ARG 348 N 0.57 0.83 -0.28 0.00 2.43 -0.46 -1.65 114.38 115.82 3hbx h ARG 348 Ca 0.12 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3hbx h ARG 348 Cb 0.44 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3hbx h ARG 348 CO 0.02 0.71 0.11 1.49 -1.51 0.00 0.00 179.97 180.79 3hbx h GLU 349 N 0.77 0.24 -0.00 0.20 4.57 -0.82 -1.92 114.58 117.61 3hbx h GLU 349 Ca 0.19 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.31 3hbx h GLU 349 Cb 0.18 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3hbx h GLU 349 CO -0.02 0.16 -0.23 -0.91 -1.18 0.00 0.00 179.01 176.84 3hbx h ASN 350 N 0.25 0.01 -0.29 1.04 2.35 -1.15 -1.74 115.58 116.05 3hbx h ASN 350 Ca 0.12 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3hbx h ASN 350 Cb 0.07 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3hbx h ASN 350 CO -0.11 0.23 0.11 -0.03 -1.65 0.00 0.00 177.43 175.99 3hbx h MET 351 N 0.01 0.44 -0.40 0.81 4.05 -0.60 -1.63 114.93 117.60 3hbx h MET 351 Ca -0.00 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3hbx h MET 351 Cb 0.41 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 3hbx h MET 351 CO 0.03 0.46 0.27 0.82 0.23 0.00 0.00 176.91 178.72 3hbx h ILE 352 N 0.32 1.10 -0.68 1.77 2.04 -0.81 0.25 117.51 121.50 3hbx h ILE 352 Ca 0.10 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.82 3hbx h ILE 352 Cb 0.19 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3hbx h ILE 352 CO -0.01 0.10 0.39 0.58 0.00 0.00 0.00 178.15 179.21 3hbx h VAL 353 N 0.54 0.98 -0.22 1.67 2.07 -1.20 0.49 116.25 120.58 3hbx h VAL 353 Ca 0.15 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 67.24 3hbx h VAL 353 Cb -0.06 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3hbx h VAL 353 CO -0.03 0.13 -0.59 0.25 0.02 0.00 0.00 177.57 177.35 3hbx h LEU 354 N 0.71 0.81 0.14 2.57 5.85 -0.94 -2.59 115.31 121.86 3hbx h LEU 354 Ca 0.30 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3hbx h LEU 354 Cb 0.17 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3hbx h LEU 354 CO -0.18 1.22 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.99 3hbx h ARG 355 N 0.54 -0.18 -0.03 1.25 2.43 0.05 -2.58 114.38 115.86 3hbx h ARG 355 Ca 0.00 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3hbx h ARG 355 Cb 1.18 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 3hbx h ARG 355 CO 0.12 -0.10 -0.07 0.93 -1.51 0.00 0.00 179.97 179.34 3hbx h GLU 356 N -0.20 -0.11 -0.90 0.20 5.08 -0.95 -1.07 114.58 116.62 3hbx h GLU 356 Ca -0.02 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.56 3hbx h GLU 356 Cb 0.16 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 3hbx h GLU 356 CO 0.03 -0.07 0.60 0.78 -1.00 0.00 0.00 179.01 179.35 3hbx h GLY 357 N -0.12 0.75 1.78 -3.84 0.00 -1.39 0.19 103.07 100.44 3hbx h GLY 357 Ca 0.04 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 46.97 3hbx h GLY 357 CO -0.10 -0.01 -1.15 1.41 0.00 0.00 0.00 176.54 176.68 3hbx h LEU 358 N 0.34 0.16 -0.68 3.11 3.38 -0.99 -3.25 115.31 117.38 3hbx h LEU 358 Ca 0.47 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 3hbx h LEU 358 Cb 1.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3hbx h LEU 358 CO -0.16 1.14 -0.36 -0.33 0.09 0.00 0.00 178.44 178.82 3hbx h GLU 359 N 0.03 0.61 0.00 1.13 5.08 0.31 -3.09 114.58 118.65 3hbx h GLU 359 Ca -0.08 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3hbx h GLU 359 Cb 1.86 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 3hbx h GLU 359 CO 0.15 0.88 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.76 3hbx h LYS 360 N 0.51 0.00 0.00 2.33 3.64 -0.75 -0.63 116.57 121.66 3hbx h LYS 360 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hbx h LYS 360 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3hbx h LYS 360 CO 0.07 0.07 -0.24 1.79 -2.27 0.00 0.00 179.45 178.86 3hbx h THR 361 N 0.00 0.00 -2.61 1.00 1.35 -1.60 -3.47 112.91 107.57 3hbx h THR 361 Ca -0.00 -0.64 -0.30 0.00 -0.55 0.00 0.00 66.41 64.93 3hbx h THR 361 Cb 0.17 1.49 -0.06 0.00 -1.73 0.00 0.00 68.15 68.02 3hbx h THR 361 CO 0.01 0.00 -0.33 -0.62 -0.25 0.00 0.00 175.52 174.33 3hbx n GLU 362 N -2.44 -1.75 -0.01 4.72 1.02 -0.25 -4.80 120.64 117.14 3hbx n GLU 362 Ca 0.04 0.78 0.10 0.00 -0.02 0.00 0.00 57.16 58.07 3hbx n GLU 362 Cb 0.46 -5.25 -0.15 0.00 -0.02 0.00 0.00 31.44 26.49 3hbx n GLU 362 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hbx n ARG 363 N -2.48 0.41 -4.39 3.49 1.74 -1.26 -4.96 116.66 109.21 3hbx n ARG 363 Ca -0.16 -0.12 -0.20 0.00 -0.77 0.00 0.00 57.85 56.60 3hbx n ARG 363 Cb 0.57 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.40 3hbx n ARG 363 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hbx s PHE 364 N -3.29 1.91 -0.30 -1.55 0.40 -1.26 -1.17 117.98 112.71 3hbx s PHE 364 Ca -0.01 -0.51 -0.06 0.00 -0.60 0.00 0.00 56.93 55.75 3hbx s PHE 364 Cb 0.15 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.82 3hbx s PHE 364 CO 0.89 0.47 0.07 -0.80 0.70 0.00 0.00 175.22 176.54 3hbx s ASN 365 N -3.39 5.09 -0.28 1.36 0.01 0.16 -4.76 114.94 113.13 3hbx s ASN 365 Ca 0.25 -0.89 -0.29 0.00 -0.71 0.00 0.00 52.86 51.22 3hbx s ASN 365 Cb -0.02 -1.85 -0.02 0.00 0.41 0.00 0.00 41.25 39.77 3hbx s ASN 365 CO 0.10 -0.23 1.78 -0.63 -1.51 0.00 0.00 177.10 176.61 3hbx s ILE 366 N 1.44 3.49 -2.97 0.60 -1.09 -1.26 -1.03 121.20 120.37 3hbx s ILE 366 Ca 0.01 0.51 0.24 0.00 -2.23 0.00 0.00 60.65 59.18 3hbx s ILE 366 Cb -0.18 -3.60 0.21 0.00 -1.58 0.00 0.00 42.46 37.30 3hbx s ILE 366 CO 0.02 -0.35 1.27 0.55 -1.23 0.00 0.00 174.94 175.20 3hbx n VAL 367 N 7.14 0.02 -4.01 2.92 3.14 0.92 -4.92 118.33 123.54 3hbx n VAL 367 Ca 0.22 -0.51 -0.22 0.00 -2.96 0.00 0.00 64.34 60.88 3hbx n VAL 367 Cb 0.46 1.46 -0.04 0.00 -1.06 0.00 0.00 33.84 34.66 3hbx n VAL 367 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3hbx s SER 368 N -1.98 5.48 0.72 6.55 1.04 -1.04 -4.92 113.70 119.55 3hbx s SER 368 Ca 0.29 -0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 3hbx s SER 368 Cb 0.20 -1.29 0.09 0.00 0.10 0.00 0.00 66.02 65.12 3hbx s SER 368 CO 0.30 -0.14 1.02 -0.54 0.98 0.00 0.00 173.24 174.86 3hbx s LYS 369 N -3.90 1.96 0.09 4.02 -0.14 -1.26 -4.93 119.74 115.59 3hbx s LYS 369 Ca 0.35 -0.49 -0.14 0.00 -1.36 0.00 0.00 55.97 54.34 3hbx s LYS 369 Cb -0.07 -2.20 -0.17 0.00 -1.68 0.00 0.00 37.83 33.71 3hbx s LYS 369 CO 0.26 -1.35 1.28 -0.44 -0.76 0.00 0.00 175.35 174.33 3hbx h ASP 370 N -0.63 0.91 -3.30 2.83 3.32 -1.97 -3.45 116.42 114.13 3hbx h ASP 370 Ca -0.43 -0.65 -0.65 0.00 0.02 0.00 0.00 57.03 55.33 3hbx h ASP 370 Cb 1.30 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.42 3hbx h ASP 370 CO 0.53 1.41 -0.74 -1.61 -1.72 0.00 0.00 179.24 177.12 3hbx s GLU 371 N -3.68 2.05 0.00 3.56 0.41 -1.26 -5.02 118.70 114.76 3hbx s GLU 371 Ca -0.11 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.29 3hbx s GLU 371 Cb 0.08 -2.21 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 3hbx s GLU 371 CO 0.90 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 176.55 3hbx n GLY 372 N 0.37 0.51 3.73 -1.39 0.00 -1.26 -4.69 105.19 102.46 3hbx n GLY 372 Ca -0.12 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 3hbx n GLY 372 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbx s VAL 373 N -2.63 2.95 -0.91 1.61 1.01 0.18 -4.88 120.40 117.73 3hbx s VAL 373 Ca 0.00 0.72 -0.26 0.00 0.00 0.00 0.00 61.98 62.44 3hbx s VAL 373 Cb 0.00 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.79 3hbx s VAL 373 CO 0.00 0.08 2.21 -2.84 0.00 0.00 0.00 175.10 174.55 3hbx s PRO 374 N 0.56 1.78 0.28 2.72 0.02 -1.26 -4.81 135.00 134.29 3hbx s PRO 374 Ca 0.64 -0.01 -0.18 0.00 0.02 0.00 0.00 61.00 61.47 3hbx s PRO 374 Cb -0.40 -4.92 0.02 0.00 0.02 0.00 0.00 34.50 29.22 3hbx s PRO 374 CO 0.35 -4.42 0.66 -0.48 -0.33 0.00 0.00 177.00 172.78 3hbx s LEU 375 N 13.99 -0.06 -0.11 -5.54 0.05 -1.26 -1.49 118.68 124.25 3hbx s LEU 375 Ca 0.83 -0.76 -0.01 0.00 0.05 0.00 0.00 54.13 54.24 3hbx s LEU 375 Cb -0.09 2.47 0.04 0.00 -2.05 0.00 0.00 46.19 46.56 3hbx s LEU 375 CO 0.09 -1.33 -0.01 -0.69 -0.55 0.00 0.00 176.35 173.86 3hbx s VAL 376 N -3.78 0.59 -0.14 1.48 1.01 -0.40 -4.92 120.40 114.23 3hbx s VAL 376 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3hbx s VAL 376 Cb -0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3hbx s VAL 376 CO 0.08 0.17 -0.08 0.00 0.00 0.00 0.00 175.10 175.28 3hbx s ALA 377 N 1.87 2.83 0.01 5.51 0.00 -1.26 -0.96 121.76 129.77 3hbx s ALA 377 Ca 0.03 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 3hbx s ALA 377 Cb -0.14 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3hbx s ALA 377 CO -0.07 0.23 0.21 -0.59 0.00 0.00 0.00 175.76 175.55 3hbx s PHE 378 N 0.36 -0.02 0.31 0.00 -0.71 -0.14 -0.05 117.98 117.71 3hbx s PHE 378 Ca -0.07 -0.07 0.11 0.00 -1.04 0.00 0.00 56.93 55.85 3hbx s PHE 378 Cb -0.15 0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.61 3hbx s PHE 378 CO 0.04 -0.38 -0.12 -1.12 -1.34 0.00 0.00 175.22 172.31 3hbx s SER 379 N -1.66 3.82 -0.09 1.98 0.01 -0.20 -0.10 113.70 117.46 3hbx s SER 379 Ca -0.10 -1.03 -0.28 0.00 1.31 0.00 0.00 55.95 55.84 3hbx s SER 379 Cb -0.04 -0.41 -0.02 0.00 0.21 0.00 0.00 66.02 65.76 3hbx s SER 379 CO 0.00 -0.08 0.94 -0.76 0.41 0.00 0.00 173.24 173.75 3hbx s LEU 380 N -3.59 4.26 -0.03 2.44 1.43 -1.26 0.37 118.68 122.30 3hbx s LEU 380 Ca 0.32 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 3hbx s LEU 380 Cb -0.02 -3.45 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 3hbx s LEU 380 CO 0.17 -0.37 1.74 -0.54 0.23 0.00 0.00 176.35 177.58 3hbx s LYS 381 N 1.71 4.17 -0.27 1.70 1.02 -0.32 -3.89 119.74 123.87 3hbx s LYS 381 Ca 0.46 2.30 -0.09 0.00 0.02 0.00 0.00 55.97 58.66 3hbx s LYS 381 Cb -0.18 -4.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.11 3hbx s LYS 381 CO 0.19 -0.87 0.34 -3.47 -0.92 0.00 0.00 175.35 170.61 3hbx n ASP 382 N 7.22 -5.85 -1.81 2.83 2.03 -1.26 -4.86 116.55 114.86 3hbx n ASP 382 Ca 0.18 0.42 -0.10 0.00 0.52 0.00 0.00 54.79 55.82 3hbx n ASP 382 Cb 0.42 -3.83 -0.03 0.00 -0.72 0.00 0.00 41.12 36.96 3hbx n ASP 382 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3hbx n SER 383 N -0.27 5.74 0.00 1.67 7.64 -1.25 -4.60 113.62 122.56 3hbx n SER 383 Ca 0.07 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.27 3hbx n SER 383 Cb 0.26 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3hbx n SER 383 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hbx n SER 384 N 1.33 0.00 0.22 6.43 3.41 -1.26 -4.50 113.62 119.25 3hbx n SER 384 Ca 0.22 0.09 0.11 0.00 -0.26 0.00 0.00 58.87 59.02 3hbx n SER 384 Cb 0.61 -0.08 0.45 0.00 -0.26 0.00 0.00 64.21 64.93 3hbx n SER 384 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hbx s HIS 386 N -3.60 0.00 0.30 0.00 3.76 -1.26 -5.15 115.29 109.34 3hbx s HIS 386 Ca 0.01 0.00 0.07 0.00 -0.15 0.00 0.00 55.06 54.99 3hbx s HIS 386 Cb 0.10 -0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.74 3hbx s HIS 386 CO 0.63 -0.05 0.30 0.95 -0.85 0.00 0.00 174.74 175.72 3hbx s THR 387 N -0.23 4.12 0.43 1.30 -4.23 -1.26 -4.62 115.64 111.15 3hbx s THR 387 Ca -0.03 -1.28 0.22 0.00 -1.18 0.00 0.00 61.69 59.43 3hbx s THR 387 Cb -0.02 -3.37 0.25 0.00 1.34 0.00 0.00 72.50 70.70 3hbx s THR 387 CO -0.00 -0.25 2.04 -0.33 -0.54 0.00 0.00 174.62 175.54 3hbx h GLU 388 N 1.26 0.00 -0.35 3.99 3.07 -1.96 -2.19 114.58 118.41 3hbx h GLU 388 Ca -0.47 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.32 3hbx h GLU 388 Cb 1.25 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.14 3hbx h GLU 388 CO 0.59 0.15 -0.06 0.74 -1.40 0.00 0.00 179.01 179.02 3hbx h PHE 389 N 0.00 0.61 -0.57 4.33 -1.00 -1.95 -1.69 116.94 116.68 3hbx h PHE 389 Ca -0.00 -0.08 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 3hbx h PHE 389 Cb 0.33 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 3hbx h PHE 389 CO 0.00 0.63 0.14 0.93 -1.61 0.00 0.00 178.31 178.41 3hbx h GLU 390 N 0.54 0.90 -0.61 1.51 5.08 -1.80 -1.96 114.58 118.25 3hbx h GLU 390 Ca 0.11 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3hbx h GLU 390 Cb 0.44 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3hbx h GLU 390 CO 0.02 0.84 0.17 0.82 -1.00 0.00 0.00 179.01 179.86 3hbx h ILE 391 N 0.81 1.24 -0.34 3.13 2.04 -1.43 -0.91 117.51 122.05 3hbx h ILE 391 Ca 0.18 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3hbx h ILE 391 Cb 0.34 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3hbx h ILE 391 CO 0.00 0.32 0.15 -1.28 0.00 0.00 0.00 178.15 177.34 3hbx h SER 392 N 0.90 0.46 -0.49 1.72 0.87 -1.04 -2.15 113.55 113.82 3hbx h SER 392 Ca 0.20 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3hbx h SER 392 Cb 0.29 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3hbx h SER 392 CO -0.00 0.48 0.16 0.44 -0.53 0.00 0.00 176.83 177.37 3hbx h ASP 393 N 0.41 0.71 -0.60 6.23 3.32 -1.12 -2.99 116.42 122.37 3hbx h ASP 393 Ca 0.11 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 56.99 3hbx h ASP 393 Cb 0.15 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3hbx h ASP 393 CO -0.01 0.72 0.36 -0.03 -1.72 0.00 0.00 179.24 178.56 3hbx h MET 394 N 0.66 0.70 0.00 3.56 4.05 -1.03 -2.16 114.93 120.70 3hbx h MET 394 Ca 0.16 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 3hbx h MET 394 Cb 0.26 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 3hbx h MET 394 CO -0.01 0.46 -0.20 -0.07 0.23 0.00 0.00 176.91 177.33 3hbx h LEU 395 N 0.72 0.00 -1.48 3.39 3.38 -1.30 -2.57 115.31 117.45 3hbx h LEU 395 Ca 0.24 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.41 3hbx h LEU 395 Cb 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3hbx h LEU 395 CO -0.10 0.20 0.60 0.03 0.09 0.00 0.00 178.44 179.25 3hbx h ARG 396 N 0.00 0.42 -0.23 1.13 2.47 -1.25 -0.89 114.38 116.03 3hbx h ARG 396 Ca -0.00 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 3hbx h ARG 396 Cb 0.39 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 3hbx h ARG 396 CO 0.03 0.28 0.07 0.00 0.56 0.00 0.00 179.97 180.90 3hbx h ARG 397 N 0.43 0.33 0.00 0.04 3.08 -1.56 -1.37 114.38 115.32 3hbx h ARG 397 Ca 0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.49 3hbx h ARG 397 Cb 1.14 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3hbx h ARG 397 CO -0.19 0.30 -0.34 0.66 -1.07 0.00 0.00 179.97 179.33 3hbx n TYR 398 N -4.41 0.61 0.00 3.04 4.02 -0.36 -4.92 117.16 115.14 3hbx n TYR 398 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 3hbx n TYR 398 Cb 0.14 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 38.75 3hbx n TYR 398 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hbx n GLY 399 N 1.35 0.63 3.74 2.72 0.00 -0.52 -5.08 105.19 108.03 3hbx n GLY 399 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3hbx n GLY 399 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hbx s TRP 400 N -2.00 3.66 -0.40 1.61 0.52 -1.11 -4.78 118.94 116.43 3hbx s TRP 400 Ca 0.00 1.68 -0.04 0.00 0.02 0.00 0.00 56.10 57.76 3hbx s TRP 400 Cb 0.00 -3.22 0.10 0.00 -1.15 0.00 0.00 33.47 29.20 3hbx s TRP 400 CO 0.00 -0.40 0.20 0.42 0.02 0.00 0.00 176.95 177.19 3hbx s ILE 401 N -0.55 3.43 -0.19 2.03 1.01 -0.99 -3.26 121.20 122.69 3hbx s ILE 401 Ca 0.47 -1.89 0.01 0.00 0.00 0.00 0.00 60.65 59.24 3hbx s ILE 401 Cb -0.29 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 38.95 3hbx s ILE 401 CO 0.36 -0.61 -0.11 -0.69 0.00 0.00 0.00 174.94 173.89 3hbx s VAL 402 N 1.20 1.61 0.47 2.92 1.01 -1.26 -1.41 120.40 124.94 3hbx s VAL 402 Ca 0.06 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 3hbx s VAL 402 Cb -0.23 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 3hbx s VAL 402 CO -0.03 0.21 0.94 -2.16 0.00 0.00 0.00 175.10 174.06 3hbx s PRO 403 N 1.42 4.02 0.03 2.72 0.05 -1.26 -4.55 135.00 137.44 3hbx s PRO 403 Ca -0.00 0.94 0.07 0.00 0.05 0.00 0.00 61.00 62.06 3hbx s PRO 403 Cb -0.16 -2.19 -0.02 0.00 0.05 0.00 0.00 34.50 32.18 3hbx s PRO 403 CO -0.09 -0.15 -0.20 0.00 0.05 0.00 0.00 177.00 176.61 3hbx s ALA 404 N -2.43 1.69 0.05 8.56 0.00 -1.26 -2.60 121.76 125.77 3hbx s ALA 404 Ca 0.59 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 51.29 3hbx s ALA 404 Cb -0.10 -0.35 0.08 0.00 0.00 0.00 0.00 23.12 22.75 3hbx s ALA 404 CO 0.25 0.39 0.69 1.52 0.00 0.00 0.00 175.76 178.60 3hbx s TYR 405 N -0.71 -0.54 0.11 0.00 -0.85 -0.87 -4.99 117.35 109.50 3hbx s TYR 405 Ca 0.07 0.59 -0.10 0.00 -0.52 0.00 0.00 57.07 57.11 3hbx s TYR 405 Cb -0.08 0.50 -0.06 0.00 0.38 0.00 0.00 41.96 42.70 3hbx s TYR 405 CO 0.01 -0.70 0.44 0.95 -1.52 0.00 0.00 175.55 174.73 3hbx s THR 406 N -2.68 5.04 0.79 -3.49 -4.23 -1.26 -1.17 115.64 108.63 3hbx s THR 406 Ca -0.03 0.49 -0.11 0.00 -1.18 0.00 0.00 61.69 60.86 3hbx s THR 406 Cb -0.01 -3.66 0.07 0.00 1.34 0.00 0.00 72.50 70.24 3hbx s THR 406 CO -0.04 0.22 1.12 -0.04 -0.54 0.00 0.00 174.62 175.34 3hbx s MET 407 N -2.08 2.01 0.77 3.99 1.00 0.12 -4.98 119.30 120.12 3hbx s MET 407 Ca 0.36 1.36 -0.11 0.00 0.00 0.00 0.00 55.69 57.30 3hbx s MET 407 Cb -0.14 -1.86 0.05 0.00 0.00 0.00 0.00 34.83 32.89 3hbx s MET 407 CO 0.19 -1.86 1.09 -2.14 0.00 0.00 0.00 175.02 172.30 3hbx s PRO 408 N -4.62 2.35 0.53 2.03 0.02 -1.26 -3.36 135.00 130.69 3hbx s PRO 408 Ca 0.65 0.64 -0.21 0.00 0.02 0.00 0.00 61.00 62.09 3hbx s PRO 408 Cb -0.20 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.30 3hbx s PRO 408 CO 0.53 -1.43 1.10 -0.35 -0.33 0.00 0.00 177.00 176.52 3hbx n PRO 409 N -3.31 1.28 -2.99 5.54 -0.04 -1.26 -1.88 135.00 132.35 3hbx n PRO 409 Ca 0.07 0.48 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 3hbx n PRO 409 Cb 0.56 -2.26 0.01 0.00 -0.04 0.00 0.00 33.50 31.77 3hbx n PRO 409 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hbx n ASN 410 N -0.45 6.46 -2.26 3.54 5.03 0.26 -1.15 115.26 126.68 3hbx n ASN 410 Ca 0.11 -3.42 -0.03 0.00 0.87 0.00 0.00 54.58 52.11 3hbx n ASN 410 Cb 0.44 -1.27 0.07 0.00 -1.02 0.00 0.00 39.78 38.00 3hbx n ASN 410 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hbx n ALA 411 N 1.29 3.04 0.98 5.41 0.00 -0.79 -4.19 120.51 126.26 3hbx n ALA 411 Ca 0.26 -1.19 0.08 0.00 0.00 0.00 0.00 53.44 52.59 3hbx n ALA 411 Cb 0.33 -0.71 0.48 0.00 0.00 0.00 0.00 19.45 19.54 3hbx n ALA 411 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hbx n GLN 412 N -1.00 0.46 0.00 0.00 3.00 -1.21 -1.63 117.38 117.00 3hbx n GLN 412 Ca -0.16 0.03 0.11 0.00 -0.01 0.00 0.00 57.00 56.96 3hbx n GLN 412 Cb 0.84 -1.50 0.08 0.00 0.00 0.00 0.00 30.24 29.66 3hbx n GLN 412 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 3hbx n HIS 413 N -1.05 0.01 -3.32 1.08 1.44 -1.26 -4.63 115.22 107.49 3hbx n HIS 413 Ca 0.12 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.44 3hbx n HIS 413 Cb 0.07 -0.15 -0.08 0.00 0.12 0.00 0.00 29.99 29.95 3hbx n HIS 413 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hbx s ILE 414 N -3.01 5.14 -0.10 0.61 -1.09 -0.65 -5.01 121.20 117.09 3hbx s ILE 414 Ca 0.09 0.78 0.03 0.00 -2.23 0.00 0.00 60.65 59.33 3hbx s ILE 414 Cb 0.17 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 3hbx s ILE 414 CO 0.78 0.18 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.56 3hbx s THR 415 N 1.76 2.29 0.17 2.92 2.01 -1.26 -0.70 115.64 122.82 3hbx s THR 415 Ca 0.20 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.32 3hbx s THR 415 Cb -0.15 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 3hbx s THR 415 CO 0.09 0.56 -0.14 0.68 -0.69 0.00 0.00 174.62 175.11 3hbx s VAL 416 N 0.24 1.54 -0.05 3.82 -7.23 -0.32 -4.49 120.40 113.91 3hbx s VAL 416 Ca -0.14 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.00 3hbx s VAL 416 Cb -0.17 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3hbx s VAL 416 CO 0.07 -0.54 0.05 -0.76 -0.31 0.00 0.00 175.10 173.62 3hbx s LEU 417 N -2.97 3.80 -0.05 1.32 1.43 0.86 -2.05 118.68 121.02 3hbx s LEU 417 Ca 0.17 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 3hbx s LEU 417 Cb -0.02 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3hbx s LEU 417 CO 0.05 0.33 -0.16 -0.60 0.23 0.00 0.00 176.35 176.20 3hbx s ARG 418 N -1.29 1.86 -0.23 1.70 3.52 -1.07 -0.97 118.95 122.47 3hbx s ARG 418 Ca 0.18 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 3hbx s ARG 418 Cb -0.12 -1.56 0.05 0.00 -1.56 0.00 0.00 34.95 31.77 3hbx s ARG 418 CO 0.08 0.17 -0.09 0.08 -0.81 0.00 0.00 175.30 174.72 3hbx s VAL 419 N 0.25 1.81 -0.09 7.11 1.01 -0.13 -3.99 120.40 126.37 3hbx s VAL 419 Ca -0.08 -1.29 -0.24 0.00 0.00 0.00 0.00 61.98 60.37 3hbx s VAL 419 Cb -0.13 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3hbx s VAL 419 CO 0.03 0.04 0.75 -0.69 0.00 0.00 0.00 175.10 175.23 3hbx s VAL 420 N 1.29 5.00 -0.39 2.92 1.01 -0.73 -1.27 120.40 128.22 3hbx s VAL 420 Ca -0.05 1.53 -0.17 0.00 0.00 0.00 0.00 61.98 63.29 3hbx s VAL 420 Cb -0.18 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.13 3hbx s VAL 420 CO -0.07 0.19 0.43 -0.63 0.00 0.00 0.00 175.10 175.02 3hbx s ILE 421 N 1.15 5.10 0.58 2.22 -1.09 -0.56 -4.84 121.20 123.76 3hbx s ILE 421 Ca 0.39 -0.16 0.08 0.00 -2.23 0.00 0.00 60.65 58.73 3hbx s ILE 421 Cb -0.18 -3.97 0.07 0.00 -1.58 0.00 0.00 42.46 36.80 3hbx s ILE 421 CO 0.18 -0.31 0.65 -0.13 -1.23 0.00 0.00 174.94 174.09 3hbx s ARG 422 N 2.14 2.25 0.27 2.79 0.52 -1.26 -4.78 118.95 120.88 3hbx s ARG 422 Ca 0.13 -1.84 -0.01 0.00 -0.52 0.00 0.00 55.73 53.49 3hbx s ARG 422 Cb -0.17 -2.41 0.47 0.00 0.52 0.00 0.00 34.95 33.37 3hbx s ARG 422 CO 0.13 -0.82 1.85 1.49 0.02 0.00 0.00 175.30 177.97 3hbx h GLU 423 N 0.37 1.00 -0.93 3.54 4.81 -1.97 -2.64 114.58 118.76 3hbx h GLU 423 Ca -0.32 -0.06 -0.27 0.00 -0.13 0.00 0.00 59.36 58.58 3hbx h GLU 423 Cb 1.30 -0.23 -0.16 0.00 0.63 0.00 0.00 28.75 30.29 3hbx h GLU 423 CO 0.47 0.66 0.34 -0.40 -0.73 0.00 0.00 179.01 179.36 3hbx n ASP 424 N -4.59 3.72 -4.12 1.04 3.85 -1.26 -4.74 116.55 110.43 3hbx n ASP 424 Ca 0.17 -3.00 -0.37 0.00 -0.71 0.00 0.00 54.79 50.88 3hbx n ASP 424 Cb 0.28 -0.71 -0.10 0.00 -1.35 0.00 0.00 41.12 39.24 3hbx n ASP 424 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 3hbx s PHE 425 N -2.27 3.48 0.87 2.11 5.36 -1.00 -5.09 117.98 121.45 3hbx s PHE 425 Ca 0.39 -2.51 -0.13 0.00 -0.96 0.00 0.00 56.93 53.73 3hbx s PHE 425 Cb 0.32 -3.27 0.12 0.00 -0.34 0.00 0.00 43.02 39.85 3hbx s PHE 425 CO 0.08 -0.91 1.17 -1.54 -1.46 0.00 0.00 175.22 172.57 3hbx s SER 426 N 1.31 3.93 0.40 6.13 1.04 -1.26 -4.86 113.70 120.40 3hbx s SER 426 Ca 0.13 0.80 0.08 0.00 0.48 0.00 0.00 55.95 57.44 3hbx s SER 426 Cb -0.21 -1.28 0.83 0.00 0.10 0.00 0.00 66.02 65.45 3hbx s SER 426 CO -0.04 -2.27 2.00 -0.09 0.98 0.00 0.00 173.24 173.83 3hbx h ARG 427 N -1.31 0.43 -0.45 4.02 9.65 -1.98 -1.80 114.38 122.94 3hbx h ARG 427 Ca -0.48 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.37 3hbx h ARG 427 Cb 1.32 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.79 3hbx h ARG 427 CO 0.61 0.37 0.26 1.15 2.80 0.00 0.00 179.97 185.17 3hbx h THR 428 N 0.43 1.05 -0.37 0.20 2.02 -2.00 -0.59 112.91 113.65 3hbx h THR 428 Ca 0.11 -0.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.95 3hbx h THR 428 Cb 0.11 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3hbx h THR 428 CO -0.01 0.10 -0.36 -0.07 0.37 0.00 0.00 175.52 175.54 3hbx h LEU 429 N 0.53 0.96 -0.49 2.58 4.07 -1.84 -2.43 115.31 118.69 3hbx h LEU 429 Ca 0.18 -0.46 0.06 0.00 0.08 0.00 0.00 57.88 57.73 3hbx h LEU 429 Cb 0.01 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.43 3hbx h LEU 429 CO -0.08 1.23 0.20 0.00 -1.08 0.00 0.00 178.44 178.71 3hbx h ALA 430 N 0.76 0.61 -0.17 1.53 0.00 -0.94 -0.31 119.26 120.74 3hbx h ALA 430 Ca 0.06 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3hbx h ALA 430 Cb 0.95 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3hbx h ALA 430 CO 0.09 -0.17 -0.49 0.93 0.00 0.00 0.00 179.25 179.60 3hbx h GLU 431 N 0.40 0.46 0.00 0.00 5.08 -1.09 -2.60 114.58 116.84 3hbx h GLU 431 Ca 0.23 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3hbx h GLU 431 Cb 0.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3hbx h GLU 431 CO -0.20 0.85 -0.41 0.00 -1.00 0.00 0.00 179.01 178.25 3hbx h ARG 432 N 0.36 0.00 -0.22 2.33 3.08 -1.03 -2.56 114.38 116.34 3hbx h ARG 432 Ca 0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3hbx h ARG 432 Cb 1.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3hbx h ARG 432 CO 0.09 0.41 -0.09 1.25 -1.07 0.00 0.00 179.97 180.55 3hbx h LEU 433 N 0.00 0.47 -0.28 3.04 6.46 -0.73 -1.51 115.31 122.76 3hbx h LEU 433 Ca -0.00 -0.40 0.01 0.00 -0.12 0.00 0.00 57.88 57.37 3hbx h LEU 433 Cb 0.77 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 3hbx h LEU 433 CO 0.05 0.76 0.15 0.58 -0.62 0.00 0.00 178.44 179.37 3hbx h VAL 434 N 0.17 1.01 -0.42 1.05 2.07 -1.36 -0.27 116.25 118.50 3hbx h VAL 434 Ca 0.05 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3hbx h VAL 434 Cb 0.58 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3hbx h VAL 434 CO 0.03 0.06 0.23 0.40 0.02 0.00 0.00 177.57 178.31 3hbx h ILE 435 N 0.31 1.01 0.00 4.57 2.04 -1.42 -1.61 117.51 122.42 3hbx h ILE 435 Ca 0.11 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 3hbx h ILE 435 Cb 0.02 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3hbx h ILE 435 CO -0.06 0.09 -0.38 0.44 0.00 0.00 0.00 178.15 178.23 3hbx h ASP 436 N 0.47 0.00 -0.24 1.72 3.32 -0.99 -1.38 116.42 119.32 3hbx h ASP 436 Ca 0.17 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.05 3hbx h ASP 436 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hbx h ASP 436 CO -0.10 0.38 -0.52 0.40 -1.72 0.00 0.00 179.24 177.68 3hbx h ILE 437 N 0.00 1.28 -0.55 0.35 2.04 -0.66 -2.10 117.51 117.87 3hbx h ILE 437 Ca -0.00 -1.71 -0.06 0.00 1.00 0.00 0.00 64.86 64.09 3hbx h ILE 437 Cb 0.82 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3hbx h ILE 437 CO 0.05 0.56 0.12 -0.33 0.00 0.00 0.00 178.15 178.55 3hbx h GLU 438 N 0.64 0.89 -0.84 2.37 5.08 -0.91 -2.01 114.58 119.81 3hbx h GLU 438 Ca 0.02 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3hbx h GLU 438 Cb 1.11 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 3hbx h GLU 438 CO 0.11 0.84 0.54 0.87 -1.00 0.00 0.00 179.01 180.37 3hbx h LYS 439 N 0.79 1.00 -0.42 2.33 1.57 -1.20 -2.15 116.57 118.49 3hbx h LYS 439 Ca 0.17 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3hbx h LYS 439 Cb 0.36 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3hbx h LYS 439 CO 0.00 0.66 -0.02 0.28 -0.57 0.00 0.00 179.45 179.81 3hbx h VAL 440 N 1.03 1.23 -0.39 0.50 2.07 -1.09 -1.74 116.25 117.87 3hbx h VAL 440 Ca 0.34 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 3hbx h VAL 440 Cb 0.03 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3hbx h VAL 440 CO -0.12 0.33 -0.17 0.24 0.02 0.00 0.00 177.57 177.87 3hbx h MET 441 N 0.65 0.73 -0.07 1.57 2.86 -0.81 -2.55 114.93 117.31 3hbx h MET 441 Ca 0.13 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3hbx h MET 441 Cb 0.43 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 3hbx h MET 441 CO 0.02 0.86 -0.02 0.00 1.06 0.00 0.00 176.91 178.82 3hbx h ARG 442 N 0.65 0.14 -0.46 1.72 3.08 -1.08 -2.10 114.38 116.33 3hbx h ARG 442 Ca 0.10 -0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.23 3hbx h ARG 442 Cb 0.65 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3hbx h ARG 442 CO 0.05 0.48 0.45 0.93 -1.07 0.00 0.00 179.97 180.80 3hbx h GLU 443 N -0.21 0.00 0.03 0.04 5.08 -1.23 0.31 114.58 118.60 3hbx h GLU 443 Ca 0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.12 3hbx h GLU 443 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3hbx h GLU 443 CO 0.01 0.00 -1.35 -0.07 -1.00 0.00 0.00 179.01 176.60 3hbx h LEU 444 N 0.00 0.11 -0.04 1.33 3.38 -1.19 -3.29 115.31 115.61 3hbx h LEU 444 Ca 0.22 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hbx h LEU 444 Cb 1.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hbx h LEU 444 CO -0.00 1.12 0.00 0.47 0.09 0.00 0.00 178.44 180.12 3hbx n ASP 445 N -3.29 0.02 -1.68 -0.43 8.00 0.09 -2.13 116.55 117.14 3hbx n ASP 445 Ca -0.09 0.51 -0.17 0.00 0.71 0.00 0.00 54.79 55.75 3hbx n ASP 445 Cb 1.00 -0.51 0.08 0.00 -0.02 0.00 0.00 41.12 41.67 3hbx n ASP 445 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hbx n GLU 446 N -1.53 2.95 0.00 -1.24 4.71 -1.20 -5.11 120.64 119.23 3hbx n GLU 446 Ca 0.02 -3.82 0.00 0.00 -0.01 0.00 0.00 57.16 53.34 3hbx n GLU 446 Cb 0.08 -2.10 0.00 0.00 -1.01 0.00 0.00 31.44 28.40 3hbx n GLU 446 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50