#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhg s GLU 4 N 0.00 2.95 -0.03 -1.08 1.03 -1.26 -5.09 118.70 115.21 3dhg s GLU 4 Ca 0.00 -1.15 -0.22 0.00 0.03 0.00 0.00 54.97 53.63 3dhg s GLU 4 Cb 0.00 -2.78 -0.05 0.00 -0.80 0.00 0.00 34.13 30.50 3dhg s GLU 4 CO 0.00 -0.14 0.65 -1.12 -1.33 0.00 0.00 175.26 173.32 3dhg s SER 5 N -4.28 6.98 0.07 0.83 0.01 -1.26 -5.06 113.70 110.99 3dhg s SER 5 Ca 0.51 1.18 0.04 0.00 1.31 0.00 0.00 55.95 58.98 3dhg s SER 5 Cb -0.10 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 3dhg s SER 5 CO 0.32 -0.01 -0.10 -0.54 0.41 0.00 0.00 173.24 173.32 3dhg s LYS 6 N 0.32 0.73 0.47 12.44 1.02 -1.26 -5.15 119.74 128.31 3dhg s LYS 6 Ca 0.34 -0.97 -0.08 0.00 0.02 0.00 0.00 55.97 55.28 3dhg s LYS 6 Cb -0.18 -0.53 -0.05 0.00 -0.52 0.00 0.00 37.83 36.55 3dhg s LYS 6 CO 0.18 0.10 0.81 0.15 -0.92 0.00 0.00 175.35 175.66 3dhg s LYS 7 N -2.12 3.65 0.76 1.68 -0.14 -1.26 -5.03 119.74 117.28 3dhg s LYS 7 Ca -0.02 0.38 -0.15 0.00 -1.36 0.00 0.00 55.97 54.82 3dhg s LYS 7 Cb -0.07 -2.35 0.03 0.00 -1.68 0.00 0.00 37.83 33.77 3dhg s LYS 7 CO 0.01 -0.18 1.04 -2.30 -0.76 0.00 0.00 175.35 173.16 3dhg n PRO 8 N -1.92 0.39 -4.02 -1.68 -0.02 -1.26 -5.01 135.00 121.47 3dhg n PRO 8 Ca 0.02 0.19 -0.31 0.00 -2.02 0.00 0.00 63.50 61.39 3dhg n PRO 8 Cb 0.55 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 3dhg n PRO 8 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3dhg s MET 9 N -3.62 3.04 0.23 -0.52 -1.94 -1.26 -5.00 119.30 110.22 3dhg s MET 9 Ca 0.73 -0.60 0.25 0.00 -1.71 0.00 0.00 55.69 54.36 3dhg s MET 9 Cb -0.32 -2.82 0.89 0.00 2.01 0.00 0.00 34.83 34.58 3dhg s MET 9 CO 0.51 0.59 1.75 -2.13 -0.01 0.00 0.00 175.02 175.73 3dhg n ARG 10 N 0.50 0.23 -2.68 2.03 0.63 -1.26 -4.88 116.66 111.22 3dhg n ARG 10 Ca -0.08 0.30 -0.07 0.00 -0.92 0.00 0.00 57.85 57.08 3dhg n ARG 10 Cb 0.52 -1.83 -0.02 0.00 0.45 0.00 0.00 32.46 31.58 3dhg n ARG 10 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 3dhg n THR 11 N -2.25 0.00 -1.72 5.15 5.66 -1.26 -5.03 114.28 114.83 3dhg n THR 11 Ca 0.04 -0.83 -0.38 0.00 -3.05 0.00 0.00 64.05 59.83 3dhg n THR 11 Cb 0.35 0.49 0.05 0.00 -1.55 0.00 0.00 70.33 69.67 3dhg n THR 11 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3dhg n TRP 12 N -0.26 1.99 -0.31 1.09 5.03 -1.26 -4.69 117.44 119.04 3dhg n TRP 12 Ca 0.01 0.43 0.10 0.00 3.03 0.00 0.00 57.50 61.07 3dhg n TRP 12 Cb 0.26 -2.31 0.32 0.00 -1.03 0.00 0.00 31.31 28.55 3dhg n TRP 12 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 3dhg h SER 13 N 1.10 0.77 0.92 -0.99 4.64 -1.99 0.99 113.55 118.99 3dhg h SER 13 Ca -0.50 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3dhg h SER 13 Cb 1.32 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3dhg h SER 13 CO 0.55 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.91 3dhg n HIS 14 N -4.59 0.62 0.24 4.77 1.44 -1.26 -2.67 115.22 113.77 3dhg n HIS 14 Ca 0.18 0.22 0.06 0.00 -2.01 0.00 0.00 57.72 56.17 3dhg n HIS 14 Cb 0.43 -0.85 -0.09 0.00 0.12 0.00 0.00 29.99 29.59 3dhg n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3dhg n LEU 15 N -2.04 0.24 0.25 2.39 4.77 0.02 -4.74 117.00 117.89 3dhg n LEU 15 Ca 0.04 -0.20 0.10 0.00 -0.03 0.00 0.00 56.01 55.92 3dhg n LEU 15 Cb 0.29 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.04 3dhg n LEU 15 CO 0.22 0.06 0.98 0.00 -1.33 0.00 0.00 177.39 177.33 3dhg h ALA 16 N 1.46 1.58 0.00 -1.18 0.00 -0.68 -2.95 119.26 117.50 3dhg h ALA 16 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dhg h ALA 16 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dhg h ALA 16 CO 0.00 0.14 0.00 0.93 0.00 0.00 0.00 179.25 180.32 3dhg h GLU 17 N 0.00 0.00 0.00 0.00 5.08 -1.85 -2.10 114.58 115.71 3dhg h GLU 17 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dhg h GLU 17 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3dhg h GLU 17 CO 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 3dhg n MET 18 N -2.82 0.37 -4.08 2.33 0.00 -1.11 -4.91 117.12 106.90 3dhg n MET 18 Ca 0.03 0.07 -0.31 0.00 0.00 0.00 0.00 57.70 57.50 3dhg n MET 18 Cb 0.43 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 32.13 3dhg n MET 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3dhg n ARG 19 N -1.16 -3.35 -4.03 3.17 1.74 -0.79 -4.97 116.66 107.27 3dhg n ARG 19 Ca 0.10 0.40 -0.10 0.00 -0.77 0.00 0.00 57.85 57.48 3dhg n ARG 19 Cb 0.10 -4.83 -0.07 0.00 -1.02 0.00 0.00 32.46 26.65 3dhg n ARG 19 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3dhg s LYS 20 N -6.75 1.40 -0.35 5.56 -2.85 -1.26 -5.11 119.74 110.39 3dhg s LYS 20 Ca 0.38 -1.31 -0.29 0.00 -1.00 0.00 0.00 55.97 53.75 3dhg s LYS 20 Cb -0.20 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.00 3dhg s LYS 20 CO 0.90 -0.55 1.07 0.21 0.10 0.00 0.00 175.35 177.09 3dhg s LYS 21 N -4.04 3.99 0.89 1.78 2.36 -1.26 -4.88 119.74 118.59 3dhg s LYS 21 Ca 0.25 0.95 -0.11 0.00 -2.55 0.00 0.00 55.97 54.50 3dhg s LYS 21 Cb 0.02 -3.77 0.13 0.00 -1.05 0.00 0.00 37.83 33.15 3dhg s LYS 21 CO 0.08 -0.98 1.10 -2.14 1.55 0.00 0.00 175.35 174.95 3dhg s PRO 22 N 3.77 1.25 0.81 4.03 0.02 -1.26 -5.02 135.00 138.60 3dhg s PRO 22 Ca 0.45 1.09 -0.11 0.00 0.02 0.00 0.00 61.00 62.45 3dhg s PRO 22 Cb -0.11 -1.79 0.08 0.00 0.02 0.00 0.00 34.50 32.69 3dhg s PRO 22 CO 0.18 -2.32 1.09 -1.54 -0.33 0.00 0.00 177.00 174.08 3dhg s SER 23 N -3.15 4.25 0.22 2.53 1.04 -1.26 -4.83 113.70 112.50 3dhg s SER 23 Ca 0.64 1.70 -0.13 0.00 0.48 0.00 0.00 55.95 58.64 3dhg s SER 23 Cb -0.20 -2.40 0.27 0.00 0.10 0.00 0.00 66.02 63.79 3dhg s SER 23 CO 0.58 -2.18 1.61 -0.08 0.98 0.00 0.00 173.24 174.15 3dhg h GLU 24 N -1.23 -0.01 -0.49 4.02 4.81 -1.99 -1.30 114.58 118.40 3dhg h GLU 24 Ca -0.45 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.86 3dhg h GLU 24 Cb 1.25 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.53 3dhg h GLU 24 CO 0.53 -0.01 -0.41 -0.92 -0.73 0.00 0.00 179.01 177.47 3dhg h TYR 25 N -0.01 -1.20 -0.70 0.92 3.20 -1.93 -1.94 116.97 115.31 3dhg h TYR 25 Ca 0.33 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 3dhg h TYR 25 Cb 0.52 0.59 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 3dhg h TYR 25 CO -0.57 -0.42 0.40 -0.44 -1.64 0.00 0.00 178.16 175.48 3dhg h ASP 26 N -0.27 0.87 -0.50 -2.11 3.32 -1.74 -0.83 116.42 115.16 3dhg h ASP 26 Ca 0.16 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.18 3dhg h ASP 26 Cb 0.57 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 3dhg h ASP 26 CO -0.62 0.70 0.23 0.40 -1.72 0.00 0.00 179.24 178.24 3dhg h ILE 27 N 0.97 0.92 -0.01 0.35 2.04 -0.72 -2.80 117.51 118.26 3dhg h ILE 27 Ca 0.25 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3dhg h ILE 27 Cb 0.02 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3dhg h ILE 27 CO -0.04 0.08 -0.70 1.33 0.00 0.00 0.00 178.15 178.83 3dhg n VAL 28 N -4.92 0.00 0.00 1.67 0.24 -0.78 -4.65 118.33 109.89 3dhg n VAL 28 Ca 0.05 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3dhg n VAL 28 Cb 0.15 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 3dhg n VAL 28 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3dhg n SER 29 N -0.73 4.96 -4.72 -1.34 7.64 -0.33 -5.06 113.62 114.05 3dhg n SER 29 Ca 0.07 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.54 3dhg n SER 29 Cb 0.40 0.78 -0.04 0.00 -1.01 0.00 0.00 64.21 64.35 3dhg n SER 29 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3dhg s ARG 30 N -1.99 4.53 -1.05 1.43 6.06 -1.06 -3.88 118.95 123.00 3dhg s ARG 30 Ca 0.00 1.23 -0.02 0.00 -2.50 0.00 0.00 55.73 54.44 3dhg s ARG 30 Cb 0.00 -3.44 -0.02 0.00 0.06 0.00 0.00 34.95 31.55 3dhg s ARG 30 CO 0.00 0.05 0.89 1.63 -2.50 0.00 0.00 175.30 175.37 3dhg n LYS 31 N 3.61 -4.69 -0.00 5.12 5.02 -1.26 -4.95 118.16 121.01 3dhg n LYS 31 Ca 0.03 0.78 0.07 0.00 -2.02 0.00 0.00 58.31 57.17 3dhg n LYS 31 Cb 0.51 -5.53 -0.09 0.00 -0.02 0.00 0.00 35.03 29.89 3dhg n LYS 31 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dhg n LEU 32 N -3.59 0.66 -4.56 -0.35 4.77 -1.26 -4.78 117.00 107.89 3dhg n LEU 32 Ca -0.20 -0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 54.90 3dhg n LEU 32 Cb 0.64 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 3dhg n LEU 32 CO 0.55 0.16 1.79 -1.00 -1.33 0.00 0.00 177.39 177.56 3dhg s HIS 33 N -2.52 2.84 0.66 -1.77 3.76 -1.26 -4.77 115.29 112.24 3dhg s HIS 33 Ca 0.05 -1.56 0.41 0.00 -0.15 0.00 0.00 55.06 53.81 3dhg s HIS 33 Cb 0.11 -4.68 2.25 0.00 1.11 0.00 0.00 32.58 31.38 3dhg s HIS 33 CO 0.63 -1.77 2.29 0.10 -0.85 0.00 0.00 174.74 175.14 3dhg h TYR 34 N 7.92 0.00 0.00 1.40 -0.00 -1.96 -2.27 116.97 122.06 3dhg h TYR 34 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.11 3dhg h TYR 34 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.63 3dhg h TYR 34 CO 1.35 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 178.38 3dhg n SER 35 N -3.11 0.38 -0.36 0.10 3.41 -1.26 -1.61 113.62 111.17 3dhg n SER 35 Ca -0.03 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 3dhg n SER 35 Cb 0.13 -0.72 0.29 0.00 -0.26 0.00 0.00 64.21 63.65 3dhg n SER 35 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dhg n THR 36 N -1.99 0.00 0.02 6.66 -2.24 -0.86 -4.37 114.28 111.51 3dhg n THR 36 Ca -0.00 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 3dhg n THR 36 Cb 0.06 0.66 0.06 0.00 -2.10 0.00 0.00 70.33 69.00 3dhg n THR 36 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3dhg h ASN 37 N 1.74 0.56 -3.66 3.42 2.35 -1.50 -3.40 115.58 115.10 3dhg h ASN 37 Ca 0.00 -0.32 -0.68 0.00 -0.55 0.00 0.00 56.30 54.75 3dhg h ASN 37 Cb 0.59 -0.16 -0.36 0.00 0.05 0.00 0.00 38.32 38.44 3dhg h ASN 37 CO 0.00 1.03 -0.66 0.21 -1.65 0.00 0.00 177.43 176.36 3dhg s ASN 38 N -6.93 4.95 0.30 5.81 3.04 -1.26 -4.99 114.94 115.86 3dhg s ASN 38 Ca -0.07 -1.77 0.02 0.00 0.04 0.00 0.00 52.86 51.08 3dhg s ASN 38 Cb 0.11 -1.72 0.56 0.00 -1.54 0.00 0.00 41.25 38.67 3dhg s ASN 38 CO 0.84 -0.38 1.89 -0.65 -3.04 0.00 0.00 177.10 175.75 3dhg h PRO 39 N 7.90 0.96 0.00 0.43 0.11 -1.91 -2.53 132.00 136.96 3dhg h PRO 39 Ca -0.14 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3dhg h PRO 39 Cb 1.04 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3dhg h PRO 39 CO 0.58 0.64 -0.45 -3.47 -0.21 0.00 0.00 178.00 175.08 3dhg n ASP 40 N -4.53 0.51 -3.28 -2.05 2.03 -1.26 -4.42 116.55 103.55 3dhg n ASP 40 Ca 0.16 0.02 -0.24 0.00 0.52 0.00 0.00 54.79 55.24 3dhg n ASP 40 Cb 0.27 0.07 -0.08 0.00 -0.72 0.00 0.00 41.12 40.66 3dhg n ASP 40 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3dhg n SER 41 N -1.74 -0.54 -0.21 1.67 2.88 -0.97 -4.72 113.62 110.00 3dhg n SER 41 Ca 0.05 -2.52 -0.01 0.00 -1.33 0.00 0.00 58.87 55.06 3dhg n SER 41 Cb 0.38 -0.38 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 3dhg n SER 41 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3dhg h PRO 42 N 5.07 0.01 -6.21 -1.46 0.11 -1.71 -3.41 132.00 124.40 3dhg h PRO 42 Ca 0.19 -0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.75 3dhg h PRO 42 Cb 0.92 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.96 3dhg h PRO 42 CO 0.37 0.01 -0.56 -1.58 -0.21 0.00 0.00 178.00 176.03 3dhg s TRP 43 N -6.23 3.09 -1.39 0.65 0.52 -1.26 -4.18 118.94 110.14 3dhg s TRP 43 Ca -0.14 -0.08 -0.10 0.00 0.02 0.00 0.00 56.10 55.80 3dhg s TRP 43 Cb 0.19 -1.44 0.09 0.00 -1.15 0.00 0.00 33.47 31.16 3dhg s TRP 43 CO 0.73 0.53 2.23 -1.91 0.02 0.00 0.00 176.95 178.55 3dhg n GLU 44 N -0.73 3.60 -3.11 4.98 4.07 -1.26 -4.80 120.64 123.39 3dhg n GLU 44 Ca -0.08 -3.06 -0.10 0.00 -0.06 0.00 0.00 57.16 53.86 3dhg n GLU 44 Cb 0.56 -2.95 -0.03 0.00 -0.06 0.00 0.00 31.44 28.96 3dhg n GLU 44 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3dhg n LEU 45 N 4.04 0.00 -4.63 4.31 4.77 -1.26 -5.10 117.00 119.12 3dhg n LEU 45 Ca 0.53 -1.70 -0.47 0.00 -0.03 0.00 0.00 56.01 54.34 3dhg n LEU 45 Cb 0.33 1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 42.52 3dhg n LEU 45 CO 0.82 -0.32 0.90 -0.24 -1.33 0.00 0.00 177.39 177.22 3dhg n SER 46 N -2.10 2.17 0.19 -1.43 2.88 -1.26 -4.81 113.62 109.26 3dhg n SER 46 Ca 0.03 1.14 0.18 0.00 -1.33 0.00 0.00 58.87 58.88 3dhg n SER 46 Cb 0.33 -1.33 0.82 0.00 -0.75 0.00 0.00 64.21 63.28 3dhg n SER 46 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3dhg h PRO 47 N 4.01 0.00 -0.46 -1.46 0.11 -1.90 -1.20 132.00 131.10 3dhg h PRO 47 Ca -0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 3dhg h PRO 47 Cb 1.30 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 3dhg h PRO 47 CO 0.74 0.00 0.08 -0.25 -0.21 0.00 0.00 178.00 178.37 3dhg n ASP 48 N -3.76 3.90 -4.69 -2.05 8.00 -1.26 -4.46 116.55 112.23 3dhg n ASP 48 Ca 0.03 -3.27 -0.37 0.00 0.71 0.00 0.00 54.79 51.88 3dhg n ASP 48 Cb 0.38 -0.64 0.07 0.00 -0.02 0.00 0.00 41.12 40.91 3dhg n ASP 48 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3dhg n SER 49 N -0.53 1.60 -0.30 -2.24 3.41 -0.46 -4.74 113.62 110.37 3dhg n SER 49 Ca 0.31 0.81 0.07 0.00 -0.26 0.00 0.00 58.87 59.81 3dhg n SER 49 Cb 1.11 -1.50 0.23 0.00 -0.26 0.00 0.00 64.21 63.79 3dhg n SER 49 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3dhg h PRO 50 N 0.46 0.60 -0.08 4.33 0.11 -1.94 0.07 132.00 135.54 3dhg h PRO 50 Ca -0.50 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.39 3dhg h PRO 50 Cb 1.35 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dhg h PRO 50 CO 0.52 0.40 -0.73 1.98 -0.21 0.00 0.00 178.00 179.95 3dhg h MET 51 N 0.62 0.41 -0.80 1.05 4.05 -1.96 -0.84 114.93 117.45 3dhg h MET 51 Ca 0.47 -0.33 0.01 0.00 -0.28 0.00 0.00 59.70 59.56 3dhg h MET 51 Cb 0.67 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.50 3dhg h MET 51 CO -0.37 0.97 0.52 -0.91 0.23 0.00 0.00 176.91 177.35 3dhg h ASN 52 N 0.28 0.93 -0.72 1.39 -0.26 -1.67 -1.41 115.58 114.11 3dhg h ASN 52 Ca -0.03 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.64 3dhg h ASN 52 Cb 1.31 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 38.30 3dhg h ASN 52 CO 0.13 0.68 0.31 -0.07 -1.06 0.00 0.00 177.43 177.42 3dhg h LEU 53 N 1.09 0.97 0.24 1.61 3.38 -0.74 -0.10 115.31 121.76 3dhg h LEU 53 Ca 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dhg h LEU 53 Cb -0.11 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.39 3dhg h LEU 53 CO -0.06 0.86 -0.12 -0.25 0.09 0.00 0.00 178.44 178.96 3dhg h TRP 54 N 1.02 -0.31 -0.74 1.13 2.91 -0.89 -0.94 115.95 118.13 3dhg h TRP 54 Ca 0.24 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.22 3dhg h TRP 54 Cb 0.17 0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 28.90 3dhg h TRP 54 CO 0.01 -0.19 0.32 1.88 -1.03 0.00 0.00 178.44 179.43 3dhg h TYR 55 N -0.33 1.10 -0.81 2.65 -1.99 -1.22 0.11 116.97 116.48 3dhg h TYR 55 Ca -0.03 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 3dhg h TYR 55 Cb 0.26 -0.33 -0.04 0.00 2.00 0.00 0.00 36.73 38.61 3dhg h TYR 55 CO -0.07 0.83 0.46 0.87 -0.00 0.00 0.00 178.16 180.25 3dhg h LYS 56 N 1.05 1.11 0.09 4.88 1.57 -0.81 0.06 116.57 124.53 3dhg h LYS 56 Ca 0.25 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3dhg h LYS 56 Cb 0.17 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3dhg h LYS 56 CO -0.03 0.81 -0.04 0.37 -0.57 0.00 0.00 179.45 179.99 3dhg h GLN 57 N 1.11 -0.12 0.00 3.15 4.15 -0.85 -1.37 115.11 121.18 3dhg h GLN 57 Ca 0.29 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.71 3dhg h GLN 57 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.72 3dhg h GLN 57 CO -0.05 0.37 -1.32 0.66 -1.93 0.00 0.00 178.83 176.56 3dhg n TYR 58 N -4.89 0.44 -0.03 3.99 4.01 0.35 -3.81 117.16 117.22 3dhg n TYR 58 Ca -0.08 0.13 -0.03 0.00 -0.16 0.00 0.00 57.90 57.75 3dhg n TYR 58 Cb 0.27 -0.64 -0.01 0.00 -0.31 0.00 0.00 39.34 38.65 3dhg n TYR 58 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3dhg n ARG 59 N -2.31 0.18 -0.32 -0.72 0.63 -0.13 -0.76 116.66 113.23 3dhg n ARG 59 Ca -0.01 0.07 -0.02 0.00 -0.92 0.00 0.00 57.85 56.97 3dhg n ARG 59 Cb 0.52 -0.74 0.13 0.00 0.45 0.00 0.00 32.46 32.81 3dhg n ARG 59 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3dhg h ASN 60 N -0.33 1.08 -0.18 6.15 4.21 -1.19 -2.14 115.58 123.18 3dhg h ASN 60 Ca 0.00 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.45 3dhg h ASN 60 Cb 0.33 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3dhg h ASN 60 CO 0.00 0.83 0.00 0.00 -1.29 0.00 0.00 177.43 176.97 3dhg n ALA 61 N -2.40 2.51 -1.74 -0.83 0.00 -0.52 -4.96 120.51 112.57 3dhg n ALA 61 Ca 0.10 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 3dhg n ALA 61 Cb 0.06 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 3dhg n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dhg n SER 62 N 0.12 3.67 0.21 0.00 2.88 -0.81 -4.85 113.62 114.84 3dhg n SER 62 Ca 0.12 1.17 0.14 0.00 -1.33 0.00 0.00 58.87 58.98 3dhg n SER 62 Cb 0.24 -1.58 0.74 0.00 -0.75 0.00 0.00 64.21 62.86 3dhg n SER 62 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3dhg h PRO 63 N 4.24 0.00 -6.57 -1.46 0.13 -1.92 -3.38 132.00 123.03 3dhg h PRO 63 Ca -0.47 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 3dhg h PRO 63 Cb 1.24 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 3dhg h PRO 63 CO 0.75 0.00 0.85 -1.17 -0.23 0.00 0.00 178.00 178.20 3dhg s LEU 64 N -5.02 3.73 0.01 1.56 2.96 -1.26 -4.95 118.68 115.71 3dhg s LEU 64 Ca -0.02 0.43 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 3dhg s LEU 64 Cb 0.08 -3.48 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 3dhg s LEU 64 CO 0.30 -1.19 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.39 3dhg s LYS 65 N 4.26 1.55 -0.17 1.98 1.02 -1.26 -4.98 119.74 122.14 3dhg s LYS 65 Ca 0.46 -0.82 -0.17 0.00 0.02 0.00 0.00 55.97 55.45 3dhg s LYS 65 Cb -0.08 -1.57 0.05 0.00 -0.52 0.00 0.00 37.83 35.70 3dhg s LYS 65 CO 0.30 0.42 0.48 -1.58 -0.92 0.00 0.00 175.35 174.05 3dhg s HIS 66 N -0.62 -0.52 -0.18 3.18 2.46 -1.26 -4.78 115.29 113.57 3dhg s HIS 66 Ca 0.08 1.26 0.29 0.00 0.47 0.00 0.00 55.06 57.16 3dhg s HIS 66 Cb -0.08 0.18 1.04 0.00 -0.13 0.00 0.00 32.58 33.59 3dhg s HIS 66 CO 0.00 -0.26 1.84 -0.44 -2.47 0.00 0.00 174.74 173.41 3dhg h ASP 67 N 5.30 0.00 -1.83 9.88 3.45 -2.00 -3.37 116.42 127.86 3dhg h ASP 67 Ca -0.27 0.00 -0.46 0.00 0.43 0.00 0.00 57.03 56.72 3dhg h ASP 67 Cb 1.18 0.00 -0.38 0.00 -0.56 0.00 0.00 39.33 39.57 3dhg h ASP 67 CO 0.21 0.00 -1.13 0.59 -1.57 0.00 0.00 179.24 177.34 3dhg n ASN 68 N -2.88 0.52 -0.10 6.45 3.02 -1.26 -4.93 115.26 116.08 3dhg n ASN 68 Ca 0.02 -3.05 0.21 0.00 -0.03 0.00 0.00 54.58 51.73 3dhg n ASN 68 Cb 0.35 -0.40 0.65 0.00 -0.61 0.00 0.00 39.78 39.77 3dhg n ASN 68 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 3dhg h TRP 69 N 3.06 0.14 -0.02 3.10 -0.00 -1.88 -1.29 115.95 119.06 3dhg h TRP 69 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.98 3dhg h TRP 69 Cb 0.98 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 30.09 3dhg h TRP 69 CO 0.44 0.05 0.04 -0.44 -0.00 0.00 0.00 178.44 178.52 3dhg h ASP 70 N 0.11 0.00 0.63 -3.49 3.32 -1.92 -1.35 116.42 113.72 3dhg h ASP 70 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3dhg h ASP 70 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3dhg h ASP 70 CO -0.04 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.48 3dhg n ALA 71 N -2.18 2.40 -1.71 3.45 0.00 -0.49 -4.67 120.51 117.31 3dhg n ALA 71 Ca -0.03 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 3dhg n ALA 71 Cb 0.11 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 3dhg n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dhg n PHE 72 N -1.33 2.43 -4.39 0.00 7.35 -0.51 -5.01 117.46 116.01 3dhg n PHE 72 Ca 0.12 0.50 -0.28 0.00 -0.76 0.00 0.00 57.45 57.02 3dhg n PHE 72 Cb 0.25 -2.46 -0.17 0.00 0.35 0.00 0.00 39.48 37.46 3dhg n PHE 72 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3dhg s THR 73 N -0.87 1.47 -0.05 -2.13 2.01 -1.26 -4.77 115.64 110.04 3dhg s THR 73 Ca 0.57 -0.62 -0.36 0.00 0.31 0.00 0.00 61.69 61.60 3dhg s THR 73 Cb -0.56 -1.35 -0.14 0.00 0.01 0.00 0.00 72.50 70.46 3dhg s THR 73 CO 0.60 0.44 1.70 -0.67 -0.69 0.00 0.00 174.62 175.99 3dhg n ASP 74 N 4.29 2.83 0.28 3.53 4.64 -1.26 -4.85 116.55 126.00 3dhg n ASP 74 Ca -0.19 1.04 0.15 0.00 -1.38 0.00 0.00 54.79 54.42 3dhg n ASP 74 Cb 0.51 -1.30 0.82 0.00 -1.04 0.00 0.00 41.12 40.12 3dhg n ASP 74 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3dhg h PRO 75 N 7.28 0.00 0.00 -0.67 0.13 -1.90 0.14 132.00 136.97 3dhg h PRO 75 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3dhg h PRO 75 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3dhg h PRO 75 CO 0.91 0.07 -0.33 -0.25 -0.23 0.00 0.00 178.00 178.18 3dhg n ASP 76 N -3.54 0.61 -4.11 1.44 9.92 -1.26 -4.97 116.55 114.63 3dhg n ASP 76 Ca -0.02 0.26 -0.31 0.00 -0.53 0.00 0.00 54.79 54.19 3dhg n ASP 76 Cb 0.20 -0.22 -0.03 0.00 -0.64 0.00 0.00 41.12 40.43 3dhg n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dhg n GLN 77 N -1.98 -3.08 -2.68 -1.24 6.02 0.03 -4.92 117.38 109.53 3dhg n GLN 77 Ca 0.05 0.37 -0.39 0.00 -0.01 0.00 0.00 57.00 57.01 3dhg n GLN 77 Cb 0.41 -4.73 -0.06 0.00 1.02 0.00 0.00 30.24 26.88 3dhg n GLN 77 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dhg s LEU 78 N -7.15 4.54 0.43 1.08 1.43 -1.26 -4.77 118.68 112.99 3dhg s LEU 78 Ca 0.36 2.00 0.06 0.00 -1.03 0.00 0.00 54.13 55.52 3dhg s LEU 78 Cb -0.19 -3.72 -0.06 0.00 0.03 0.00 0.00 46.19 42.25 3dhg s LEU 78 CO 0.92 0.02 0.06 0.68 0.23 0.00 0.00 176.35 178.25 3dhg s VAL 79 N -1.28 1.90 0.20 -1.59 -7.23 -1.26 -4.97 120.40 106.17 3dhg s VAL 79 Ca 0.44 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 3dhg s VAL 79 Cb -0.26 -2.81 0.13 0.00 0.56 0.00 0.00 36.38 34.00 3dhg s VAL 79 CO 0.32 0.00 1.73 0.22 -0.31 0.00 0.00 175.10 177.06 3dhg h TYR 80 N 1.57 0.25 -0.26 2.82 5.03 -1.99 -0.97 116.97 123.43 3dhg h TYR 80 Ca -0.43 0.03 0.06 0.00 2.58 0.00 0.00 58.73 60.97 3dhg h TYR 80 Cb 1.26 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 39.45 3dhg h TYR 80 CO 0.86 0.03 -0.15 -0.09 -1.32 0.00 0.00 178.16 177.49 3dhg h ARG 81 N 0.30 -0.12 0.00 1.82 2.43 -2.00 -1.31 114.38 115.51 3dhg h ARG 81 Ca 0.28 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.24 3dhg h ARG 81 Cb 0.36 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3dhg h ARG 81 CO -0.32 -0.08 -1.00 1.79 -1.51 0.00 0.00 179.97 178.84 3dhg h THR 82 N -0.13 1.71 -0.06 0.20 1.35 -1.87 -2.12 112.91 111.99 3dhg h THR 82 Ca 0.14 -3.40 0.03 0.00 -0.55 0.00 0.00 66.41 62.64 3dhg h THR 82 Cb 0.34 2.84 -0.03 0.00 -1.73 0.00 0.00 68.15 69.57 3dhg h THR 82 CO -0.34 0.97 -0.13 0.22 -0.25 0.00 0.00 175.52 175.99 3dhg h TYR 83 N 0.00 -0.33 -0.57 4.73 5.03 -1.04 -1.74 116.97 123.05 3dhg h TYR 83 Ca -0.01 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 3dhg h TYR 83 Cb 1.77 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 40.18 3dhg h TYR 83 CO 0.00 -0.19 0.01 -0.91 -1.32 0.00 0.00 178.16 175.75 3dhg h ASN 84 N -0.19 0.95 -0.32 -2.11 -0.26 -1.17 -0.04 115.58 112.44 3dhg h ASN 84 Ca 0.07 -0.25 0.07 0.00 -0.56 0.00 0.00 56.30 55.62 3dhg h ASN 84 Cb 0.28 -0.25 -0.07 0.00 -1.06 0.00 0.00 38.32 37.22 3dhg h ASN 84 CO -0.17 1.00 -0.14 -0.07 -1.06 0.00 0.00 177.43 176.99 3dhg h LEU 85 N 0.90 -0.48 -0.24 1.61 3.38 -1.32 0.29 115.31 119.45 3dhg h LEU 85 Ca 0.17 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 3dhg h LEU 85 Cb 0.51 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3dhg h LEU 85 CO 0.02 -0.18 0.03 -0.03 0.09 0.00 0.00 178.44 178.38 3dhg h MET 86 N -0.09 0.40 0.00 1.13 4.05 -0.99 -2.97 114.93 116.46 3dhg h MET 86 Ca 0.16 -0.11 -0.11 0.00 -0.28 0.00 0.00 59.70 59.36 3dhg h MET 86 Cb 0.33 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 3dhg h MET 86 CO -0.37 0.54 -0.67 1.96 0.23 0.00 0.00 176.91 178.60 3dhg h GLN 87 N 0.20 0.00 -0.67 0.39 1.08 -0.78 -2.27 115.11 113.08 3dhg h GLN 87 Ca 0.07 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 3dhg h GLN 87 Cb 0.34 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 3dhg h GLN 87 CO 0.01 0.42 0.09 0.22 -0.95 0.00 0.00 178.83 178.61 3dhg h ASP 88 N 0.00 1.07 0.18 1.46 3.58 -0.45 0.20 116.42 122.45 3dhg h ASP 88 Ca -0.03 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 3dhg h ASP 88 Cb 1.39 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 3dhg h ASP 88 CO 0.06 1.07 -0.10 1.23 -2.88 0.00 0.00 179.24 178.61 3dhg h GLY 89 N 1.04 -0.27 1.02 -0.78 0.00 -1.33 -0.34 103.07 102.43 3dhg h GLY 89 Ca 0.20 0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.51 3dhg h GLY 89 CO 0.02 -0.11 -0.33 1.46 0.00 0.00 0.00 176.54 177.58 3dhg h GLN 90 N -0.26 0.78 -0.41 4.80 1.08 -1.34 -2.07 115.11 117.69 3dhg h GLN 90 Ca -0.02 -0.42 -0.14 0.00 -1.45 0.00 0.00 58.65 56.63 3dhg h GLN 90 Cb 0.21 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3dhg h GLN 90 CO 0.02 1.04 -0.28 1.49 -0.95 0.00 0.00 178.83 180.16 3dhg h GLU 91 N 0.55 0.91 -0.91 1.46 4.57 -0.63 -0.89 114.58 119.64 3dhg h GLU 91 Ca 0.05 -0.43 0.05 0.00 -1.18 0.00 0.00 59.36 57.85 3dhg h GLU 91 Cb 0.91 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.43 3dhg h GLU 91 CO 0.08 1.09 0.59 0.77 -1.18 0.00 0.00 179.01 180.36 3dhg h SER 92 N 0.74 0.94 -0.10 1.04 0.02 -1.03 0.16 113.55 115.33 3dhg h SER 92 Ca 0.08 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3dhg h SER 92 Cb 0.86 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 3dhg h SER 92 CO 0.08 0.62 0.06 0.22 -1.14 0.00 0.00 176.83 176.67 3dhg h TYR 93 N 1.07 0.12 -0.49 3.45 3.20 -1.10 -0.70 116.97 122.53 3dhg h TYR 93 Ca 0.38 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.25 3dhg h TYR 93 Cb 0.13 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3dhg h TYR 93 CO -0.00 0.09 0.30 0.28 -1.64 0.00 0.00 178.16 177.19 3dhg h VAL 94 N 0.12 1.14 -0.41 1.81 2.07 -0.38 -0.78 116.25 119.82 3dhg h VAL 94 Ca 0.04 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3dhg h VAL 94 Cb -0.01 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3dhg h VAL 94 CO -0.01 0.15 -0.09 1.56 0.02 0.00 0.00 177.57 179.20 3dhg h GLN 95 N 0.65 0.71 -0.56 1.57 1.08 -0.51 -1.11 115.11 116.94 3dhg h GLN 95 Ca 0.18 -0.22 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 3dhg h GLN 95 Cb -0.02 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 3dhg h GLN 95 CO -0.03 0.78 0.16 0.77 -0.95 0.00 0.00 178.83 179.56 3dhg h SER 96 N 0.65 0.78 0.05 1.46 0.02 -0.70 -1.02 113.55 114.79 3dhg h SER 96 Ca 0.12 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3dhg h SER 96 Cb 0.53 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3dhg h SER 96 CO 0.03 0.75 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.38 3dhg h LEU 97 N 0.82 -0.06 -0.42 5.07 3.38 -0.41 -1.64 115.31 122.06 3dhg h LEU 97 Ca 0.18 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.24 3dhg h LEU 97 Cb 0.26 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 3dhg h LEU 97 CO -0.01 -0.04 -0.16 -0.26 0.09 0.00 0.00 178.44 178.07 3dhg h PHE 98 N -0.06 -0.37 -0.14 1.13 0.05 -0.95 -0.42 116.94 116.17 3dhg h PHE 98 Ca -0.01 0.04 0.01 0.00 3.82 0.00 0.00 57.97 61.84 3dhg h PHE 98 Cb 0.05 0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 3dhg h PHE 98 CO -0.08 -0.24 0.05 0.22 -0.18 0.00 0.00 178.31 178.09 3dhg h ASP 99 N -0.07 0.06 -0.19 2.17 3.58 -0.99 -0.75 116.42 120.23 3dhg h ASP 99 Ca 0.21 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.58 3dhg h ASP 99 Cb 0.38 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 3dhg h ASP 99 CO -0.47 0.06 -0.24 -0.61 -2.88 0.00 0.00 179.24 175.10 3dhg h GLN 100 N 0.12 0.50 -0.51 0.28 5.75 -1.02 -1.63 115.11 118.60 3dhg h GLN 100 Ca 0.06 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.25 3dhg h GLN 100 Cb 0.03 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3dhg h GLN 100 CO -0.06 0.87 0.18 0.74 -2.65 0.00 0.00 178.83 177.91 3dhg h PHE 101 N 0.16 0.75 -0.31 3.99 0.04 -1.02 -1.87 116.94 118.67 3dhg h PHE 101 Ca 0.02 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.76 3dhg h PHE 101 Cb 0.80 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 3dhg h PHE 101 CO 0.08 0.60 0.19 -0.97 -0.60 0.00 0.00 178.31 177.62 3dhg h ASN 102 N 0.73 0.32 -0.77 2.17 -1.24 -1.04 -1.50 115.58 114.26 3dhg h ASN 102 Ca 0.17 -0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.25 3dhg h ASN 102 Cb 0.19 -0.07 -0.06 0.00 0.73 0.00 0.00 38.32 39.11 3dhg h ASN 102 CO -0.01 0.23 0.45 -0.33 -1.29 0.00 0.00 177.43 176.48 3dhg h GLU 103 N 0.39 0.79 0.00 6.67 4.39 -0.60 -0.89 114.58 125.33 3dhg h GLU 103 Ca 0.12 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3dhg h GLU 103 Cb -0.02 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 3dhg h GLU 103 CO -0.05 0.52 0.00 0.54 -1.16 0.00 0.00 179.01 178.86 3dhg n ARG 104 N -4.72 0.13 -3.77 2.33 1.74 -0.77 -4.89 116.66 106.71 3dhg n ARG 104 Ca 0.11 0.19 -0.27 0.00 -0.77 0.00 0.00 57.85 57.11 3dhg n ARG 104 Cb 0.19 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.18 3dhg n ARG 104 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3dhg n GLU 105 N -1.36 -6.34 -0.32 5.56 1.02 -0.34 -4.88 120.64 113.98 3dhg n GLU 105 Ca 0.06 0.69 0.18 0.00 -0.02 0.00 0.00 57.16 58.06 3dhg n GLU 105 Cb 0.13 -5.61 0.38 0.00 -0.02 0.00 0.00 31.44 26.32 3dhg n GLU 105 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3dhg h HIS 106 N -2.27 0.79 0.00 -0.32 -0.00 -1.52 -2.21 115.15 109.62 3dhg h HIS 106 Ca -0.58 0.04 -0.09 0.00 -0.00 0.00 0.00 60.37 59.74 3dhg h HIS 106 Cb 1.37 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.57 3dhg h HIS 106 CO 0.53 -0.09 -0.42 -0.44 -0.00 0.00 0.00 177.93 177.52 3dhg h ASP 107 N 0.39 0.00 0.24 3.26 3.45 -1.90 -1.97 116.42 119.90 3dhg h ASP 107 Ca 0.64 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 58.06 3dhg h ASP 107 Cb 1.31 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.07 3dhg h ASP 107 CO -0.56 0.42 -0.17 1.56 -1.57 0.00 0.00 179.24 178.92 3dhg h GLN 108 N 0.00 0.00 -0.50 3.56 4.20 -1.77 -3.24 115.11 117.36 3dhg h GLN 108 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dhg h GLN 108 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3dhg h GLN 108 CO 0.05 0.17 0.00 -1.33 -0.67 0.00 0.00 178.83 177.05 3dhg n MET 109 N -4.07 2.32 -2.12 1.46 2.81 -0.74 -4.94 117.12 111.85 3dhg n MET 109 Ca -0.02 -2.03 -0.33 0.00 -1.81 0.00 0.00 57.70 53.51 3dhg n MET 109 Cb 0.25 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 3dhg n MET 109 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3dhg s VAL 110 N -1.34 3.92 0.61 2.03 -7.23 -1.23 -4.89 120.40 112.28 3dhg s VAL 110 Ca 0.38 0.92 -0.19 0.00 -1.81 0.00 0.00 61.98 61.29 3dhg s VAL 110 Cb 0.21 -3.44 -0.03 0.00 0.56 0.00 0.00 36.38 33.68 3dhg s VAL 110 CO 0.28 -0.53 1.24 0.54 -0.31 0.00 0.00 175.10 176.32 3dhg n ARG 111 N -1.92 1.22 -0.28 4.82 1.74 -0.54 -4.88 116.66 116.81 3dhg n ARG 111 Ca 0.08 0.47 0.10 0.00 -0.77 0.00 0.00 57.85 57.73 3dhg n ARG 111 Cb 0.53 -2.47 0.24 0.00 -1.02 0.00 0.00 32.46 29.74 3dhg n ARG 111 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3dhg h GLU 112 N 0.75 0.23 0.00 5.56 4.57 -1.94 -1.61 114.58 122.14 3dhg h GLU 112 Ca -0.50 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3dhg h GLU 112 Cb 1.34 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3dhg h GLU 112 CO 0.54 0.15 0.00 0.41 -1.18 0.00 0.00 179.01 178.93 3dhg n GLY 113 N -1.37 -1.12 0.34 1.92 0.00 -1.26 -4.45 105.19 99.25 3dhg n GLY 113 Ca 0.18 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.06 3dhg n GLY 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3dhg h TRP 114 N 0.00 0.85 -0.09 1.61 -0.00 -1.63 -0.59 115.95 116.10 3dhg h TRP 114 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.88 3dhg h TRP 114 Cb 0.18 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 3dhg h TRP 114 CO 0.00 0.56 -0.05 1.05 -0.00 0.00 0.00 178.44 180.00 3dhg h GLU 115 N 0.91 0.13 -0.15 2.65 9.09 -1.81 -0.66 114.58 124.73 3dhg h GLU 115 Ca 0.24 -0.02 -0.22 0.00 0.05 0.00 0.00 59.36 59.42 3dhg h GLU 115 Cb -0.06 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.02 3dhg h GLU 115 CO -0.05 0.19 -0.76 0.45 0.05 0.00 0.00 179.01 178.90 3dhg h HIS 116 N 0.13 1.00 -0.29 2.06 3.86 -1.42 -0.48 115.15 120.01 3dhg h HIS 116 Ca 0.03 -0.43 -0.00 0.00 -1.16 0.00 0.00 60.37 58.80 3dhg h HIS 116 Cb 0.17 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 3dhg h HIS 116 CO 0.00 1.26 0.16 1.15 0.86 0.00 0.00 177.93 181.36 3dhg h THR 117 N 0.51 1.12 -0.57 2.45 2.02 -1.28 -1.66 112.91 115.50 3dhg h THR 117 Ca -0.04 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 3dhg h THR 117 Cb 1.37 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 3dhg h THR 117 CO 0.15 0.12 0.31 0.24 0.37 0.00 0.00 175.52 176.70 3dhg h MET 118 N 0.35 0.80 -0.79 6.66 2.86 -1.07 0.21 114.93 123.96 3dhg h MET 118 Ca 0.10 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3dhg h MET 118 Cb 0.04 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 3dhg h MET 118 CO -0.02 0.62 0.52 0.00 1.06 0.00 0.00 176.91 179.08 3dhg h ALA 119 N 1.14 1.60 0.13 6.32 0.00 -0.94 0.78 119.26 128.28 3dhg h ALA 119 Ca 0.20 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.76 3dhg h ALA 119 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dhg h ALA 119 CO -0.03 0.29 -1.67 -0.09 0.00 0.00 0.00 179.25 177.75 3dhg h ARG 120 N 0.88 0.27 0.00 0.00 2.43 -0.88 -3.40 114.38 113.69 3dhg h ARG 120 Ca 0.33 -0.46 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3dhg h ARG 120 Cb 0.18 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3dhg h ARG 120 CO -0.11 1.13 -1.21 0.00 -1.51 0.00 0.00 179.97 178.28 3dhg n TYR 122 N -1.69 0.00 -0.06 0.00 4.19 -0.49 -4.70 117.16 114.42 3dhg n TYR 122 Ca -0.01 0.00 0.05 0.00 3.31 0.00 0.00 57.90 61.24 3dhg n TYR 122 Cb 0.15 -0.38 0.40 0.00 0.49 0.00 0.00 39.34 40.00 3dhg n TYR 122 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 3dhg h SER 123 N -0.64 0.53 0.24 2.98 4.64 -1.11 -0.69 113.55 119.51 3dhg h SER 123 Ca -0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3dhg h SER 123 Cb 0.79 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3dhg h SER 123 CO -0.05 0.38 0.00 -2.65 -0.87 0.00 0.00 176.83 173.63 3dhg n PRO 124 N -4.47 0.14 0.17 4.77 -0.02 -1.26 -2.49 135.00 131.84 3dhg n PRO 124 Ca 0.05 0.19 0.18 0.00 -2.02 0.00 0.00 63.50 61.91 3dhg n PRO 124 Cb 0.10 -1.50 0.72 0.00 -0.02 0.00 0.00 33.50 32.80 3dhg n PRO 124 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dhg h LEU 125 N 0.00 0.00 -1.26 2.45 3.38 -1.40 -1.48 115.31 117.00 3dhg h LEU 125 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3dhg h LEU 125 Cb 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3dhg h LEU 125 CO 0.00 0.00 0.59 0.08 0.09 0.00 0.00 178.44 179.20 3dhg h ARG 126 N 0.00 0.67 -0.12 1.13 0.11 -1.71 0.20 114.38 114.65 3dhg h ARG 126 Ca 0.14 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 60.14 3dhg h ARG 126 Cb 1.10 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.02 3dhg h ARG 126 CO -0.00 0.44 -0.05 1.88 0.10 0.00 0.00 179.97 182.34 3dhg h TYR 127 N 0.69 0.28 -0.27 4.08 0.05 -1.54 0.06 116.97 120.31 3dhg h TYR 127 Ca 0.48 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 59.18 3dhg h TYR 127 Cb 0.80 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 3dhg h TYR 127 CO -0.00 0.57 0.15 1.25 -1.05 0.00 0.00 178.16 179.08 3dhg h LEU 128 N -0.08 0.35 -0.75 3.88 5.85 -1.51 0.48 115.31 123.53 3dhg h LEU 128 Ca 0.03 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 3dhg h LEU 128 Cb 0.49 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3dhg h LEU 128 CO 0.02 0.34 -0.22 -0.26 -0.34 0.00 0.00 178.44 177.98 3dhg h PHE 129 N 0.33 0.81 -0.18 1.25 0.05 -0.57 -0.91 116.94 117.71 3dhg h PHE 129 Ca 0.10 -0.18 -0.06 0.00 3.82 0.00 0.00 57.97 61.65 3dhg h PHE 129 Cb 0.07 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 37.81 3dhg h PHE 129 CO -0.03 0.87 -0.16 1.25 -0.18 0.00 0.00 178.31 180.06 3dhg h HIS 130 N 0.63 0.33 -0.55 -0.55 2.76 -0.69 -1.11 115.15 115.96 3dhg h HIS 130 Ca 0.09 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3dhg h HIS 130 Cb 0.71 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 3dhg h HIS 130 CO 0.03 0.46 0.25 0.00 -1.30 0.00 0.00 177.93 177.37 3dhg h LEU 132 N 0.74 1.09 0.54 0.00 3.38 -0.79 -0.78 115.31 119.49 3dhg h LEU 132 Ca 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3dhg h LEU 132 Cb 0.15 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.67 3dhg h LEU 132 CO -0.02 0.73 -0.26 -0.61 0.09 0.00 0.00 178.44 178.37 3dhg h GLN 133 N 1.25 -0.70 -0.61 1.13 4.15 -0.61 -0.07 115.11 119.66 3dhg h GLN 133 Ca 0.41 0.05 0.10 0.00 0.77 0.00 0.00 58.65 59.98 3dhg h GLN 133 Cb 0.04 0.16 -0.08 0.00 0.21 0.00 0.00 27.48 27.81 3dhg h GLN 133 CO -0.14 -0.44 0.18 0.52 -1.93 0.00 0.00 178.83 177.03 3dhg h MET 134 N -0.80 0.32 -0.26 1.69 2.86 -1.05 -1.74 114.93 115.96 3dhg h MET 134 Ca -0.07 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3dhg h MET 134 Cb 0.59 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3dhg h MET 134 CO 0.12 0.21 0.03 1.03 1.06 0.00 0.00 176.91 179.37 3dhg h SER 135 N 0.33 0.41 -0.36 1.22 0.87 -1.02 -1.81 113.55 113.20 3dhg h SER 135 Ca 0.31 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 3dhg h SER 135 Cb 0.43 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3dhg h SER 135 CO -0.35 0.58 0.14 0.28 -0.53 0.00 0.00 176.83 176.95 3dhg h SER 136 N 0.23 0.55 0.50 6.23 0.02 -0.81 -0.93 113.55 119.34 3dhg h SER 136 Ca 0.08 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 3dhg h SER 136 Cb 0.35 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3dhg h SER 136 CO 0.01 0.52 -0.48 0.00 -1.14 0.00 0.00 176.83 175.74 3dhg h ALA 137 N 1.56 1.19 -0.13 3.77 0.00 -0.97 -1.03 119.26 123.65 3dhg h ALA 137 Ca 0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3dhg h ALA 137 Cb 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dhg h ALA 137 CO -0.01 0.60 -0.06 -0.92 0.00 0.00 0.00 179.25 178.86 3dhg h TYR 138 N 0.00 0.31 -0.82 0.00 5.03 -0.34 -2.48 116.97 118.67 3dhg h TYR 138 Ca -0.00 -0.08 0.02 0.00 2.58 0.00 0.00 58.73 61.25 3dhg h TYR 138 Cb 0.86 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 39.02 3dhg h TYR 138 CO 0.00 0.61 0.53 0.28 -1.32 0.00 0.00 178.16 178.26 3dhg h VAL 139 N -0.07 1.17 -0.46 1.81 2.07 -1.13 -2.10 116.25 117.53 3dhg h VAL 139 Ca 0.03 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.26 3dhg h VAL 139 Cb 0.53 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.21 3dhg h VAL 139 CO 0.02 0.20 -0.38 -0.61 0.02 0.00 0.00 177.57 176.82 3dhg h GLN 140 N 1.07 -0.25 0.00 1.57 -0.00 -1.12 0.22 115.11 116.61 3dhg h GLN 140 Ca 0.31 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.97 3dhg h GLN 140 Cb -0.06 0.06 -0.00 0.00 0.00 0.00 0.00 27.48 27.47 3dhg h GLN 140 CO -0.09 -0.16 -0.03 -0.56 0.00 0.00 0.00 178.83 177.99 3dhg h GLN 141 N -0.26 0.00 0.00 1.69 3.07 -0.96 -3.21 115.11 115.45 3dhg h GLN 141 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.91 3dhg h GLN 141 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 3dhg h GLN 141 CO -0.60 0.03 -1.63 -1.33 0.09 0.00 0.00 178.83 175.39 3dhg n MET 142 N -3.11 0.45 -1.91 0.06 2.81 -0.84 -5.01 117.12 109.58 3dhg n MET 142 Ca 0.03 -0.13 -0.41 0.00 -1.81 0.00 0.00 57.70 55.38 3dhg n MET 142 Cb 0.46 -1.51 -0.01 0.00 -0.71 0.00 0.00 33.22 31.45 3dhg n MET 142 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dhg s ALA 143 N -3.32 3.55 -1.34 3.04 0.00 0.03 -4.78 121.76 118.95 3dhg s ALA 143 Ca -0.02 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.43 3dhg s ALA 143 Cb 0.15 -3.57 0.08 0.00 0.00 0.00 0.00 23.12 19.77 3dhg s ALA 143 CO 0.89 -0.92 0.79 -0.35 0.00 0.00 0.00 175.76 176.17 3dhg n PRO 144 N 0.62 1.31 -3.78 0.00 -0.04 -1.26 -4.76 135.00 127.10 3dhg n PRO 144 Ca 0.01 -0.30 -0.13 0.00 -0.04 0.00 0.00 63.50 63.04 3dhg n PRO 144 Cb 0.40 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 3dhg n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dhg s ALA 145 N -1.46 -0.71 0.30 0.55 0.00 -1.26 -4.55 121.76 114.63 3dhg s ALA 145 Ca 0.05 0.67 -0.00 0.00 0.00 0.00 0.00 51.96 52.68 3dhg s ALA 145 Cb 0.04 -0.34 0.47 0.00 0.00 0.00 0.00 23.12 23.28 3dhg s ALA 145 CO 0.02 -0.16 1.90 0.66 0.00 0.00 0.00 175.76 178.18 3dhg h SER 146 N 5.27 0.79 -0.43 0.00 4.64 -1.86 -0.78 113.55 121.18 3dhg h SER 146 Ca -0.27 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.93 3dhg h SER 146 Cb 1.19 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 3dhg h SER 146 CO 0.34 0.69 0.18 0.71 -0.87 0.00 0.00 176.83 177.88 3dhg h THR 147 N 0.87 1.19 -0.02 2.95 1.35 -1.86 0.14 112.91 117.53 3dhg h THR 147 Ca 0.21 -0.61 -0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3dhg h THR 147 Cb 0.12 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 67.17 3dhg h THR 147 CO -0.02 0.23 -0.01 0.40 -0.25 0.00 0.00 175.52 175.87 3dhg h ILE 148 N 0.70 1.31 -0.76 6.82 2.04 -1.76 -3.09 117.51 122.76 3dhg h ILE 148 Ca 0.17 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 65.11 3dhg h ILE 148 Cb 0.17 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3dhg h ILE 148 CO -0.01 0.25 0.51 0.28 0.00 0.00 0.00 178.15 179.17 3dhg h SER 149 N -0.34 0.85 -0.50 1.72 0.02 -0.85 -2.49 113.55 111.97 3dhg h SER 149 Ca 0.00 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3dhg h SER 149 Cb 0.40 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3dhg h SER 149 CO 0.00 0.61 0.32 0.78 -1.14 0.00 0.00 176.83 177.40 3dhg h ASN 150 N 1.00 0.54 -0.89 3.07 -0.26 -0.76 0.12 115.58 118.39 3dhg h ASN 150 Ca 0.29 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 56.06 3dhg h ASN 150 Cb -0.06 -0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 37.02 3dhg h ASN 150 CO -0.07 0.39 0.58 0.00 -1.06 0.00 0.00 177.43 177.27 3dhg h ILE 153 N 0.48 0.73 -0.27 0.00 2.04 -0.50 0.13 117.51 120.12 3dhg h ILE 153 Ca 0.12 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.80 3dhg h ILE 153 Cb 0.31 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3dhg h ILE 153 CO 0.00 0.03 -0.34 -0.07 0.00 0.00 0.00 178.15 177.77 3dhg h LEU 154 N 0.17 0.60 -0.88 1.44 3.38 -1.36 -1.18 115.31 117.49 3dhg h LEU 154 Ca 0.21 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3dhg h LEU 154 Cb 0.29 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3dhg h LEU 154 CO -0.31 0.89 0.23 -0.61 0.09 0.00 0.00 178.44 178.73 3dhg h GLN 155 N 0.49 1.06 -0.43 1.13 4.15 -0.96 -0.74 115.11 119.81 3dhg h GLN 155 Ca 0.05 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 3dhg h GLN 155 Cb 0.82 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 3dhg h GLN 155 CO 0.07 0.89 0.22 1.15 -1.93 0.00 0.00 178.83 179.23 3dhg h THR 156 N 1.02 1.17 -0.43 2.39 2.02 -0.32 -0.91 112.91 117.84 3dhg h THR 156 Ca 0.23 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 67.00 3dhg h THR 156 Cb 0.27 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 3dhg h THR 156 CO -0.01 0.18 0.22 0.00 0.37 0.00 0.00 175.52 176.27 3dhg h ALA 157 N 1.07 0.54 -0.79 6.16 0.00 -1.06 -1.89 119.26 123.29 3dhg h ALA 157 Ca 0.15 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3dhg h ALA 157 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3dhg h ALA 157 CO -0.02 -0.13 0.33 -0.44 0.00 0.00 0.00 179.25 178.99 3dhg h ASP 158 N 0.44 1.08 -0.74 0.00 3.45 -0.89 0.77 116.42 120.52 3dhg h ASP 158 Ca 0.18 -0.16 0.05 0.00 0.43 0.00 0.00 57.03 57.54 3dhg h ASP 158 Cb 0.09 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 38.53 3dhg h ASP 158 CO -0.13 0.94 0.45 0.28 -1.57 0.00 0.00 179.24 179.21 3dhg h SER 159 N 1.15 0.71 -0.52 6.45 0.02 -0.93 -0.56 113.55 119.87 3dhg h SER 159 Ca 0.27 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.16 3dhg h SER 159 Cb 0.19 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3dhg h SER 159 CO -0.03 0.47 0.08 0.25 -1.14 0.00 0.00 176.83 176.47 3dhg h LEU 160 N 0.85 0.86 -0.53 5.07 5.85 -0.72 -1.23 115.31 125.46 3dhg h LEU 160 Ca 0.32 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3dhg h LEU 160 Cb 0.11 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3dhg h LEU 160 CO -0.15 0.88 0.21 -0.09 -0.34 0.00 0.00 178.44 178.94 3dhg h ARG 161 N 0.86 0.39 -0.33 1.25 2.43 -0.16 0.26 114.38 119.07 3dhg h ARG 161 Ca 0.18 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 3dhg h ARG 161 Cb 0.39 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3dhg h ARG 161 CO 0.01 0.26 -0.47 -1.49 -1.51 0.00 0.00 179.97 176.76 3dhg h TRP 162 N 0.40 1.10 -0.59 2.20 6.55 -0.58 -1.19 115.95 123.83 3dhg h TRP 162 Ca 0.25 -0.36 0.08 0.00 0.95 0.00 0.00 58.89 59.81 3dhg h TRP 162 Cb 0.26 -0.22 -0.06 0.00 -0.86 0.00 0.00 29.16 28.28 3dhg h TRP 162 CO -0.15 1.19 0.24 1.25 -1.05 0.00 0.00 178.44 179.92 3dhg h LEU 163 N 0.71 0.27 -0.44 -4.49 5.85 -0.92 -1.77 115.31 114.52 3dhg h LEU 163 Ca 0.04 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3dhg h LEU 163 Cb 1.07 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3dhg h LEU 163 CO 0.11 0.17 -0.05 0.74 -0.34 0.00 0.00 178.44 179.07 3dhg h THR 164 N 0.44 1.27 -0.61 1.05 2.02 -0.75 0.45 112.91 116.79 3dhg h THR 164 Ca 0.29 -1.14 0.09 0.00 0.77 0.00 0.00 66.41 66.42 3dhg h THR 164 Cb 0.31 1.10 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 3dhg h THR 164 CO -0.27 0.39 0.24 0.45 0.37 0.00 0.00 175.52 176.70 3dhg h HIS 165 N 0.66 0.42 -0.32 3.16 3.86 -1.07 -1.12 115.15 120.74 3dhg h HIS 165 Ca 0.12 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 3dhg h HIS 165 Cb 0.57 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3dhg h HIS 165 CO 0.04 0.12 -0.06 1.15 0.86 0.00 0.00 177.93 180.05 3dhg h THR 166 N 0.43 1.27 -0.09 2.45 2.02 -0.80 -1.35 112.91 116.85 3dhg h THR 166 Ca 0.30 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.44 3dhg h THR 166 Cb 0.35 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3dhg h THR 166 CO -0.29 0.35 -0.16 0.00 0.37 0.00 0.00 175.52 175.79 3dhg h ALA 167 N 0.81 -0.12 -0.24 6.16 0.00 -0.77 -0.09 119.26 125.01 3dhg h ALA 167 Ca 0.08 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3dhg h ALA 167 Cb 0.53 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3dhg h ALA 167 CO 0.03 -0.63 -0.03 -0.92 0.00 0.00 0.00 179.25 177.70 3dhg h TYR 168 N -0.22 -0.07 -0.02 0.00 3.20 -1.07 -1.22 116.97 117.57 3dhg h TYR 168 Ca 0.08 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.78 3dhg h TYR 168 Cb 0.34 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3dhg h TYR 168 CO -0.26 -0.07 -0.83 0.00 -1.64 0.00 0.00 178.16 175.36 3dhg h ARG 169 N 0.04 0.29 0.30 1.82 2.47 -1.12 0.16 114.38 118.32 3dhg h ARG 169 Ca 0.12 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 3dhg h ARG 169 Cb 0.16 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 3dhg h ARG 169 CO -0.22 0.97 -0.31 1.15 0.56 0.00 0.00 179.97 182.12 3dhg h THR 170 N 0.17 0.35 -0.05 2.04 2.02 -0.89 0.15 112.91 116.70 3dhg h THR 170 Ca -0.05 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3dhg h THR 170 Cb 1.44 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 3dhg h THR 170 CO 0.13 0.00 -0.21 -0.74 0.37 0.00 0.00 175.52 175.07 3dhg h HIS 171 N -0.64 -0.57 -0.09 3.16 -0.00 -1.02 -2.57 115.15 113.42 3dhg h HIS 171 Ca -0.01 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.40 3dhg h HIS 171 Cb 0.59 0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 28.23 3dhg h HIS 171 CO -0.19 -0.30 -0.06 1.49 -0.00 0.00 0.00 177.93 178.87 3dhg h GLU 172 N -0.31 -0.06 -0.68 5.26 4.81 -0.50 -0.94 114.58 122.16 3dhg h GLU 172 Ca 0.08 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.45 3dhg h GLU 172 Cb 0.42 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 3dhg h GLU 172 CO -0.23 -0.04 0.46 -0.07 -0.73 0.00 0.00 179.01 178.40 3dhg h LEU 173 N -0.06 0.33 -0.85 1.64 3.38 -0.67 -2.04 115.31 117.03 3dhg h LEU 173 Ca 0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dhg h LEU 173 Cb 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dhg h LEU 173 CO -0.13 0.18 0.00 0.77 0.09 0.00 0.00 178.44 179.35 3dhg h SER 174 N 0.35 0.00 -0.11 -0.43 4.64 -0.75 0.22 113.55 117.48 3dhg h SER 174 Ca 0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.55 3dhg h SER 174 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 3dhg h SER 174 CO -0.09 0.00 -0.25 -0.07 -0.87 0.00 0.00 176.83 175.55 3dhg h LEU 175 N 0.00 0.56 0.13 5.97 3.38 -1.16 -1.75 115.31 122.44 3dhg h LEU 175 Ca 0.00 -0.19 -0.31 0.00 0.09 0.00 0.00 57.88 57.47 3dhg h LEU 175 Cb 0.69 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3dhg h LEU 175 CO 0.00 0.80 -1.54 0.74 0.09 0.00 0.00 178.44 178.53 3dhg h THR 176 N 0.49 1.15 -2.67 0.22 2.02 -1.44 -3.42 112.91 109.27 3dhg h THR 176 Ca 0.07 -2.77 -0.60 0.00 0.77 0.00 0.00 66.41 63.87 3dhg h THR 176 Cb 0.69 2.78 -0.40 0.00 -1.74 0.00 0.00 68.15 69.48 3dhg h THR 176 CO 0.05 0.82 -0.75 -1.22 0.37 0.00 0.00 175.52 174.79 3dhg n TYR 177 N -3.48 1.60 0.79 3.16 4.02 0.00 -4.95 117.16 118.30 3dhg n TYR 177 Ca -0.17 -3.90 0.10 0.00 -0.01 0.00 0.00 57.90 53.93 3dhg n TYR 177 Cb 1.05 -0.29 0.47 0.00 -0.02 0.00 0.00 39.34 40.55 3dhg n TYR 177 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3dhg n PRO 178 N 2.10 0.06 -0.49 -0.72 -0.04 -0.67 -3.74 135.00 131.50 3dhg n PRO 178 Ca 0.25 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.88 3dhg n PRO 178 Cb 0.41 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.59 3dhg n PRO 178 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dhg n ASP 179 N -1.46 3.12 -0.73 3.54 8.00 -1.26 -4.49 116.55 123.27 3dhg n ASP 179 Ca 0.06 -3.29 0.09 0.00 0.71 0.00 0.00 54.79 52.37 3dhg n ASP 179 Cb 0.24 -0.55 0.07 0.00 -0.02 0.00 0.00 41.12 40.86 3dhg n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhg n ALA 180 N -0.88 2.51 -0.82 2.24 0.00 -1.25 -4.97 120.51 117.34 3dhg n ALA 180 Ca 0.24 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3dhg n ALA 180 Cb 0.89 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3dhg n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhg n GLY 181 N 1.05 0.55 3.66 0.00 0.00 -1.26 -4.85 105.19 104.35 3dhg n GLY 181 Ca 0.11 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 3dhg n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dhg s LEU 182 N 0.00 4.26 0.00 0.99 1.43 -1.26 -1.48 118.68 122.61 3dhg s LEU 182 Ca 0.00 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3dhg s LEU 182 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3dhg s LEU 182 CO 0.00 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.35 3dhg n GLY 183 N 3.88 0.56 0.00 -3.19 0.00 -1.26 -4.86 105.19 100.32 3dhg n GLY 183 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3dhg n GLY 183 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dhg n GLU 184 N -2.88 0.72 -0.01 1.61 1.02 -0.55 -4.89 120.64 115.66 3dhg n GLU 184 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 3dhg n GLU 184 Cb 0.00 -0.84 0.08 0.00 -0.02 0.00 0.00 31.44 30.65 3dhg n GLU 184 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3dhg n HIS 185 N -2.02 0.01 -0.14 -0.32 -0.00 -0.75 -4.70 115.22 107.31 3dhg n HIS 185 Ca 0.00 -0.01 -0.08 0.00 0.46 0.00 0.00 57.72 58.09 3dhg n HIS 185 Cb 0.34 -0.00 0.08 0.00 -0.12 0.00 0.00 29.99 30.29 3dhg n HIS 185 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 3dhg h GLU 186 N 3.38 0.89 -0.34 1.57 3.07 -1.90 -2.25 114.58 119.01 3dhg h GLU 186 Ca 0.00 -0.31 -0.00 0.00 -0.50 0.00 0.00 59.36 58.55 3dhg h GLU 186 Cb 0.72 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 3dhg h GLU 186 CO 0.00 0.95 0.20 -0.09 -1.40 0.00 0.00 179.01 178.68 3dhg h ARG 187 N 0.80 0.46 -0.95 2.33 2.43 -1.97 -1.10 114.38 116.38 3dhg h ARG 187 Ca 0.13 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 3dhg h ARG 187 Cb 0.63 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 3dhg h ARG 187 CO 0.04 0.36 0.61 1.49 -1.51 0.00 0.00 179.97 180.96 3dhg h GLU 188 N 0.44 1.06 -0.15 0.20 4.81 -1.83 -0.91 114.58 118.21 3dhg h GLU 188 Ca 0.12 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3dhg h GLU 188 Cb 0.02 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 3dhg h GLU 188 CO -0.02 0.70 0.00 -0.07 -0.73 0.00 0.00 179.01 178.89 3dhg h LEU 189 N 1.09 0.26 -0.81 1.64 3.38 -1.09 0.13 115.31 119.90 3dhg h LEU 189 Ca 0.42 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 58.20 3dhg h LEU 189 Cb 0.20 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3dhg h LEU 189 CO -0.18 0.50 0.43 -0.25 0.09 0.00 0.00 178.44 179.03 3dhg h TRP 190 N 0.00 0.77 0.02 1.13 2.91 -0.94 0.88 115.95 120.73 3dhg h TRP 190 Ca 0.04 0.03 -0.24 0.00 1.13 0.00 0.00 58.89 59.85 3dhg h TRP 190 Cb 0.37 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.77 3dhg h TRP 190 CO 0.03 0.26 -1.24 0.93 -1.03 0.00 0.00 178.44 177.39 3dhg h GLU 191 N 0.69 0.04 0.00 2.65 5.08 -1.02 -3.42 114.58 118.60 3dhg h GLU 191 Ca 0.41 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3dhg h GLU 191 Cb 0.48 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3dhg h GLU 191 CO -0.30 0.91 -0.99 1.63 -1.00 0.00 0.00 179.01 179.26 3dhg n LYS 192 N -3.30 2.21 -2.72 2.33 4.76 0.02 -5.00 118.16 116.45 3dhg n LYS 192 Ca -0.06 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 3dhg n LYS 192 Cb 0.98 -1.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.14 3dhg n LYS 192 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3dhg s GLU 193 N -1.99 4.57 0.27 1.97 2.56 0.29 -4.92 118.70 121.45 3dhg s GLU 193 Ca 0.00 1.40 0.01 0.00 0.00 0.00 0.00 54.97 56.38 3dhg s GLU 193 Cb 0.00 -3.45 0.58 0.00 2.00 0.00 0.00 34.13 33.26 3dhg s GLU 193 CO 0.00 -0.01 1.76 -1.35 -0.56 0.00 0.00 175.26 175.10 3dhg h PRO 194 N 6.66 0.62 0.00 4.30 0.11 -1.96 -1.29 132.00 140.44 3dhg h PRO 194 Ca -0.41 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dhg h PRO 194 Cb 1.22 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3dhg h PRO 194 CO 0.75 0.41 -0.00 0.78 -0.21 0.00 0.00 178.00 179.73 3dhg h GLY 195 N 0.64 0.00 0.21 -0.55 0.00 -1.92 -0.98 103.07 100.48 3dhg h GLY 195 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3dhg h GLY 195 CO -0.37 0.00 -1.09 0.79 0.00 0.00 0.00 176.54 175.87 3dhg n TRP 196 N -3.10 0.04 0.04 5.60 7.02 -0.50 -3.07 117.44 123.47 3dhg n TRP 196 Ca -0.03 0.01 -0.07 0.00 -1.02 0.00 0.00 57.50 56.40 3dhg n TRP 196 Cb 0.08 -0.17 0.10 0.00 -2.42 0.00 0.00 31.31 28.91 3dhg n TRP 196 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3dhg h GLN 197 N 0.00 0.41 -0.35 -0.99 1.08 -1.01 0.11 115.11 114.35 3dhg h GLN 197 Ca 0.00 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 3dhg h GLN 197 Cb 0.61 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 3dhg h GLN 197 CO 0.00 0.85 0.13 0.78 -0.95 0.00 0.00 178.83 179.64 3dhg h GLY 198 N 1.22 0.57 0.92 3.46 0.00 -1.82 -0.28 103.07 107.15 3dhg h GLY 198 Ca 0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 3dhg h GLY 198 CO 0.09 0.30 0.03 1.41 0.00 0.00 0.00 176.54 178.38 3dhg h LEU 199 N 0.42 0.60 -0.47 3.11 3.38 -1.71 -0.45 115.31 120.19 3dhg h LEU 199 Ca 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3dhg h LEU 199 Cb 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3dhg h LEU 199 CO -0.01 0.73 0.18 -0.09 0.09 0.00 0.00 178.44 179.35 3dhg h ARG 200 N 0.45 0.71 -0.69 1.13 2.43 -0.76 -0.74 114.38 116.91 3dhg h ARG 200 Ca 0.11 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3dhg h ARG 200 Cb 0.41 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3dhg h ARG 200 CO 0.01 0.65 0.36 1.49 -1.51 0.00 0.00 179.97 180.97 3dhg h GLU 201 N 0.62 0.97 -0.48 0.20 4.81 -0.96 -0.31 114.58 119.43 3dhg h GLU 201 Ca 0.16 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3dhg h GLU 201 Cb 0.21 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3dhg h GLU 201 CO -0.01 0.74 0.28 1.25 -0.73 0.00 0.00 179.01 180.54 3dhg h LEU 202 N 0.95 0.45 0.00 1.64 5.85 -0.78 -2.27 115.31 121.15 3dhg h LEU 202 Ca 0.24 0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.70 3dhg h LEU 202 Cb 0.06 -0.09 0.02 0.00 0.37 0.00 0.00 40.66 41.02 3dhg h LEU 202 CO -0.04 0.32 -1.11 0.24 -0.34 0.00 0.00 178.44 177.51 3dhg h MET 203 N 0.56 0.53 -0.78 1.25 2.86 -0.78 0.45 114.93 119.02 3dhg h MET 203 Ca 0.19 -0.65 0.02 0.00 -2.06 0.00 0.00 59.70 57.21 3dhg h MET 203 Cb 0.03 0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 3dhg h MET 203 CO -0.09 1.26 0.51 0.93 1.06 0.00 0.00 176.91 180.58 3dhg h GLU 204 N 0.26 0.99 -0.19 1.72 5.08 -1.05 0.52 114.58 121.91 3dhg h GLU 204 Ca -0.14 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 3dhg h GLU 204 Cb 1.77 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 3dhg h GLU 204 CO 0.20 0.66 -0.24 0.87 -1.00 0.00 0.00 179.01 179.50 3dhg h LYS 205 N 1.02 0.49 -0.92 2.33 1.57 -1.35 -3.10 116.57 116.60 3dhg h LYS 205 Ca 0.30 -0.28 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3dhg h LYS 205 Cb -0.06 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 3dhg h LYS 205 CO -0.08 0.87 0.59 0.37 -0.57 0.00 0.00 179.45 180.63 3dhg h GLN 206 N 0.15 1.09 0.00 3.15 -0.00 -0.75 -2.07 115.11 116.68 3dhg h GLN 206 Ca 0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3dhg h GLN 206 Cb 0.81 -0.25 0.00 0.00 0.00 0.00 0.00 27.48 28.04 3dhg h GLN 206 CO 0.06 0.72 0.00 1.28 0.00 0.00 0.00 178.83 180.89 3dhg n LEU 207 N -4.53 0.14 -0.39 -2.39 4.77 0.16 -2.18 117.00 112.59 3dhg n LEU 207 Ca 0.13 0.54 0.06 0.00 -0.03 0.00 0.00 56.01 56.71 3dhg n LEU 207 Cb 0.13 -0.53 0.14 0.00 -2.33 0.00 0.00 43.42 40.83 3dhg n LEU 207 CO 0.33 -0.37 0.60 0.35 -1.33 0.00 0.00 177.39 176.98 3dhg n THR 208 N -1.66 1.60 -3.02 -5.08 -2.24 -0.81 -4.85 114.28 98.22 3dhg n THR 208 Ca 0.03 -1.60 -0.44 0.00 -2.27 0.00 0.00 64.05 59.77 3dhg n THR 208 Cb 0.15 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 3dhg n THR 208 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dhg s ALA 209 N -2.03 3.29 -0.26 6.98 0.00 -0.93 -4.94 121.76 123.88 3dhg s ALA 209 Ca 0.25 -1.81 0.22 0.00 0.00 0.00 0.00 51.96 50.62 3dhg s ALA 209 Cb 0.20 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 3dhg s ALA 209 CO 0.06 -2.35 0.89 1.19 0.00 0.00 0.00 175.76 175.56 3dhg n PHE 210 N 6.80 0.56 -1.79 0.00 3.72 -1.26 -4.28 117.46 121.21 3dhg n PHE 210 Ca -0.05 0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 57.09 3dhg n PHE 210 Cb 0.45 -0.73 -0.03 0.00 -0.94 0.00 0.00 39.48 38.23 3dhg n PHE 210 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3dhg s ASP 211 N -4.84 6.44 0.30 4.37 2.15 -1.26 -4.80 116.67 119.03 3dhg s ASP 211 Ca -0.02 2.79 -0.01 0.00 0.43 0.00 0.00 52.55 55.75 3dhg s ASP 211 Cb 0.12 -2.60 0.47 0.00 -0.30 0.00 0.00 42.92 40.61 3dhg s ASP 211 CO 0.82 -0.93 1.90 4.11 -0.17 0.00 0.00 175.17 180.90 3dhg h TRP 212 N 6.86 0.88 -0.04 -5.34 5.08 -1.28 0.00 115.95 122.11 3dhg h TRP 212 Ca -0.43 -0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.50 3dhg h TRP 212 Cb 1.20 -0.28 -0.00 0.00 -3.00 0.00 0.00 29.16 27.08 3dhg h TRP 212 CO 0.65 0.65 -0.00 0.78 -1.28 0.00 0.00 178.44 179.24 3dhg h GLY 213 N 0.97 0.07 1.02 11.11 0.00 -1.90 -1.53 103.07 112.81 3dhg h GLY 213 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 3dhg h GLY 213 CO -0.03 0.05 0.44 -2.09 0.00 0.00 0.00 176.54 174.91 3dhg h GLU 214 N -0.24 1.14 -0.32 4.80 4.81 -1.85 -1.52 114.58 121.40 3dhg h GLU 214 Ca 0.01 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3dhg h GLU 214 Cb 0.33 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3dhg h GLU 214 CO 0.00 0.84 0.11 0.00 -0.73 0.00 0.00 179.01 179.23 3dhg h ALA 215 N 1.23 0.36 -0.25 2.92 0.00 -0.90 -0.62 119.26 122.01 3dhg h ALA 215 Ca 0.29 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3dhg h ALA 215 Cb 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3dhg h ALA 215 CO -0.05 -0.29 0.06 0.35 0.00 0.00 0.00 179.25 179.33 3dhg h PHE 216 N 0.24 0.42 -0.05 0.00 3.57 -1.05 -0.69 116.94 119.38 3dhg h PHE 216 Ca 0.14 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3dhg h PHE 216 Cb 0.11 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 3dhg h PHE 216 CO -0.14 0.49 -0.02 0.28 -2.23 0.00 0.00 178.31 176.69 3dhg h VAL 217 N 0.23 1.33 -0.21 1.41 2.07 -1.13 0.69 116.25 120.63 3dhg h VAL 217 Ca 0.08 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3dhg h VAL 217 Cb 0.28 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3dhg h VAL 217 CO 0.00 0.28 0.14 0.77 0.02 0.00 0.00 177.57 178.78 3dhg h SER 218 N -0.29 0.24 0.14 0.57 4.64 -1.13 -0.06 113.55 117.66 3dhg h SER 218 Ca 0.01 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3dhg h SER 218 Cb 0.45 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3dhg h SER 218 CO 0.01 0.17 -0.07 0.25 -0.87 0.00 0.00 176.83 176.32 3dhg h LEU 219 N 0.29 -0.16 0.00 5.97 5.85 -1.06 0.11 115.31 126.30 3dhg h LEU 219 Ca 0.08 -0.38 -0.13 0.00 0.84 0.00 0.00 57.88 58.30 3dhg h LEU 219 Cb -0.03 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3dhg h LEU 219 CO -0.02 0.35 -1.31 0.59 -0.34 0.00 0.00 178.44 177.70 3dhg n ASN 220 N -4.94 0.86 -0.00 1.25 4.13 0.23 -1.12 115.26 115.67 3dhg n ASN 220 Ca -0.08 0.37 0.08 0.00 1.68 0.00 0.00 54.58 56.62 3dhg n ASN 220 Cb 0.27 0.23 -0.10 0.00 -1.54 0.00 0.00 39.78 38.64 3dhg n ASN 220 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3dhg n LEU 221 N -2.83 0.76 0.04 3.41 4.77 -0.06 -4.40 117.00 118.69 3dhg n LEU 221 Ca -0.07 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 3dhg n LEU 221 Cb 0.77 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 3dhg n LEU 221 CO 0.42 0.19 0.00 0.52 -1.33 0.00 0.00 177.39 177.19 3dhg n VAL 222 N -1.45 0.53 0.20 4.08 0.31 -1.09 -4.77 118.33 116.13 3dhg n VAL 222 Ca 0.03 0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 64.38 3dhg n VAL 222 Cb 0.28 -1.07 -0.08 0.00 -0.91 0.00 0.00 33.84 32.06 3dhg n VAL 222 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3dhg h VAL 223 N 0.00 0.68 -0.56 2.52 2.07 -0.96 -2.77 116.25 117.24 3dhg h VAL 223 Ca 0.00 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3dhg h VAL 223 Cb 0.00 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3dhg h VAL 223 CO 0.00 0.03 0.01 0.11 0.02 0.00 0.00 177.57 177.74 3dhg h LYS 224 N -0.53 0.98 -0.41 1.57 1.57 -1.36 -1.70 116.57 116.69 3dhg h LYS 224 Ca -0.05 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 3dhg h LYS 224 Cb 0.40 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3dhg h LYS 224 CO 0.08 0.98 0.01 -1.35 -0.57 0.00 0.00 179.45 178.60 3dhg h PRO 225 N 0.87 0.64 -0.82 3.15 0.11 -1.77 -2.39 132.00 131.80 3dhg h PRO 225 Ca 0.16 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3dhg h PRO 225 Cb 0.53 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 3dhg h PRO 225 CO 0.03 0.66 0.50 1.98 -0.21 0.00 0.00 178.00 180.96 3dhg h MET 226 N 0.61 1.11 -0.43 1.05 1.85 -1.18 -1.77 114.93 116.17 3dhg h MET 226 Ca 0.13 -0.09 0.03 0.00 -0.61 0.00 0.00 59.70 59.15 3dhg h MET 226 Cb 0.37 -0.24 -0.03 0.00 0.43 0.00 0.00 31.60 32.13 3dhg h MET 226 CO 0.01 0.77 0.24 0.82 -0.40 0.00 0.00 176.91 178.35 3dhg h ILE 227 N 1.12 1.01 0.38 1.77 2.04 -0.99 0.30 117.51 123.14 3dhg h ILE 227 Ca 0.30 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3dhg h ILE 227 Cb -0.06 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3dhg h ILE 227 CO -0.06 0.09 -0.33 0.58 0.00 0.00 0.00 178.15 178.43 3dhg h VAL 228 N 0.48 0.33 -0.46 1.67 2.07 -1.19 0.25 116.25 119.39 3dhg h VAL 228 Ca 0.18 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.58 3dhg h VAL 228 Cb 0.04 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3dhg h VAL 228 CO -0.10 0.00 -0.18 -0.08 0.02 0.00 0.00 177.57 177.23 3dhg h GLU 229 N -0.72 0.89 -0.00 1.57 4.81 -1.17 -2.48 114.58 117.48 3dhg h GLU 229 Ca -0.03 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3dhg h GLU 229 Cb 0.63 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3dhg h GLU 229 CO -0.03 1.00 -0.14 0.43 -0.73 0.00 0.00 179.01 179.54 3dhg n SER 230 N -4.13 0.41 0.02 1.04 7.64 0.10 -4.36 113.62 114.35 3dhg n SER 230 Ca 0.01 -0.71 -0.01 0.00 1.01 0.00 0.00 58.87 59.17 3dhg n SER 230 Cb 0.42 0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 64.42 3dhg n SER 230 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3dhg n ILE 231 N -0.83 0.94 0.15 0.44 5.41 -0.08 -4.68 119.36 120.71 3dhg n ILE 231 Ca 0.01 0.29 -0.13 0.00 1.00 0.00 0.00 62.75 63.92 3dhg n ILE 231 Cb 0.07 -1.52 -0.06 0.00 -0.71 0.00 0.00 39.64 37.41 3dhg n ILE 231 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3dhg h PHE 232 N -0.09 -0.63 -0.25 1.39 0.04 -1.18 -1.17 116.94 115.05 3dhg h PHE 232 Ca 0.00 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.63 3dhg h PHE 232 Cb 0.09 0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 3dhg h PHE 232 CO -0.04 -0.35 -0.43 0.87 -0.60 0.00 0.00 178.31 177.77 3dhg h LYS 233 N -0.49 0.73 -0.46 1.51 1.57 -1.67 -1.95 116.57 115.81 3dhg h LYS 233 Ca 0.01 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 3dhg h LYS 233 Cb 0.47 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3dhg h LYS 233 CO -0.08 1.07 0.21 -1.35 -0.57 0.00 0.00 179.45 178.74 3dhg h PRO 234 N 0.46 0.63 -0.58 3.15 0.11 -1.76 -1.98 132.00 132.03 3dhg h PRO 234 Ca 0.02 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.06 3dhg h PRO 234 Cb 1.03 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 3dhg h PRO 234 CO 0.10 0.50 0.38 -0.07 -0.21 0.00 0.00 178.00 178.70 3dhg h LEU 235 N 0.64 0.65 -0.54 2.35 3.38 -1.00 -1.48 115.31 119.30 3dhg h LEU 235 Ca 0.16 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.21 3dhg h LEU 235 Cb 0.08 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 3dhg h LEU 235 CO -0.02 0.47 0.15 1.56 0.09 0.00 0.00 178.44 180.69 3dhg h GLN 236 N 0.77 0.29 -0.12 1.13 4.20 -0.91 0.23 115.11 120.70 3dhg h GLN 236 Ca 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3dhg h GLN 236 Cb -0.07 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3dhg h GLN 236 CO -0.06 0.19 0.05 0.37 -0.67 0.00 0.00 178.83 178.72 3dhg h GLN 237 N 0.30 0.18 -1.01 1.46 5.75 -1.12 -1.92 115.11 118.76 3dhg h GLN 237 Ca 0.27 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.75 3dhg h GLN 237 Cb 0.36 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.83 3dhg h GLN 237 CO -0.32 0.27 0.67 1.96 -2.65 0.00 0.00 178.83 178.76 3dhg h GLN 238 N 0.05 1.32 -0.60 1.69 1.08 -1.02 -1.29 115.11 116.35 3dhg h GLN 238 Ca 0.04 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3dhg h GLN 238 Cb 0.15 -0.30 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 3dhg h GLN 238 CO -0.00 0.88 0.40 0.00 -0.95 0.00 0.00 178.83 179.15 3dhg h ALA 239 N 1.37 0.76 -0.47 3.87 0.00 -0.82 -1.96 119.26 122.01 3dhg h ALA 239 Ca 0.37 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.26 3dhg h ALA 239 Cb -0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3dhg h ALA 239 CO -0.08 0.20 0.27 2.35 0.00 0.00 0.00 179.25 181.99 3dhg h TRP 240 N 0.81 0.51 0.00 0.00 7.01 -0.57 -0.71 115.95 123.00 3dhg h TRP 240 Ca 0.22 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.24 3dhg h TRP 240 Cb -0.09 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.81 3dhg h TRP 240 CO -0.03 0.29 0.00 0.39 -2.79 0.00 0.00 178.44 176.30 3dhg n GLU 241 N -4.83 0.06 -0.19 2.65 1.02 -0.56 -3.08 120.64 115.70 3dhg n GLU 241 Ca 0.03 0.43 0.08 0.00 -0.02 0.00 0.00 57.16 57.68 3dhg n GLU 241 Cb 0.07 -1.64 0.12 0.00 -0.02 0.00 0.00 31.44 29.97 3dhg n GLU 241 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dhg n ASN 242 N -1.75 1.90 -2.04 1.62 4.13 -0.40 -4.98 115.26 113.74 3dhg n ASN 242 Ca 0.01 -2.94 -0.21 0.00 1.68 0.00 0.00 54.58 53.13 3dhg n ASN 242 Cb 0.10 -0.40 -0.04 0.00 -1.54 0.00 0.00 39.78 37.90 3dhg n ASN 242 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3dhg n ASN 243 N -1.15 -5.73 -4.35 6.41 5.15 -0.91 -1.47 115.26 113.20 3dhg n ASN 243 Ca 0.13 0.21 -0.45 0.00 -0.60 0.00 0.00 54.58 53.87 3dhg n ASN 243 Cb 0.66 -4.87 -0.06 0.00 -0.53 0.00 0.00 39.78 34.98 3dhg n ASN 243 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3dhg s ASP 244 N -2.37 6.18 0.02 1.20 -1.08 -0.45 -4.42 116.67 115.75 3dhg s ASP 244 Ca 0.00 -1.52 0.22 0.00 -0.52 0.00 0.00 52.55 50.73 3dhg s ASP 244 Cb 0.00 -2.23 -0.01 0.00 -1.46 0.00 0.00 42.92 39.22 3dhg s ASP 244 CO 0.00 -0.86 0.99 0.35 0.52 0.00 0.00 175.17 176.17 3dhg n THR 245 N 5.33 0.07 0.12 1.71 -2.24 -1.26 -4.12 114.28 113.88 3dhg n THR 245 Ca -0.12 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.27 3dhg n THR 245 Cb 0.42 0.46 -0.16 0.00 -2.10 0.00 0.00 70.33 68.95 3dhg n THR 245 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dhg h LEU 246 N 0.00 0.77 -0.80 3.22 5.85 -1.97 -3.35 115.31 119.03 3dhg h LEU 246 Ca 0.00 -0.93 0.02 0.00 0.84 0.00 0.00 57.88 57.81 3dhg h LEU 246 Cb 0.64 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3dhg h LEU 246 CO 0.00 1.72 0.52 0.25 -0.34 0.00 0.00 178.44 180.59 3dhg h LEU 247 N 0.10 0.88 -1.27 2.25 5.85 -1.98 -1.57 115.31 119.57 3dhg h LEU 247 Ca -0.28 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3dhg h LEU 247 Cb 2.12 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.92 3dhg h LEU 247 CO 0.24 0.62 0.25 -0.65 -0.34 0.00 0.00 178.44 178.56 3dhg h PRO 248 N 1.04 0.76 -0.25 5.25 0.11 -1.77 0.11 132.00 137.25 3dhg h PRO 248 Ca 0.31 -0.09 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 3dhg h PRO 248 Cb -0.05 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 3dhg h PRO 248 CO -0.09 0.59 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.04 3dhg h LEU 249 N 0.76 0.58 -0.17 2.35 3.38 -1.61 0.19 115.31 120.80 3dhg h LEU 249 Ca 0.19 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3dhg h LEU 249 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3dhg h LEU 249 CO -0.02 0.90 0.08 0.25 0.09 0.00 0.00 178.44 179.74 3dhg h LEU 250 N 0.27 0.13 -0.86 1.67 5.85 -1.07 -2.48 115.31 118.82 3dhg h LEU 250 Ca 0.05 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3dhg h LEU 250 Cb 0.71 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3dhg h LEU 250 CO 0.05 0.10 0.32 0.40 -0.34 0.00 0.00 178.44 178.97 3dhg h ILE 251 N 0.18 1.26 -0.80 4.05 2.04 -0.73 -2.09 117.51 121.42 3dhg h ILE 251 Ca 0.07 -0.79 0.12 0.00 1.00 0.00 0.00 64.86 65.25 3dhg h ILE 251 Cb 0.01 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 3dhg h ILE 251 CO -0.04 0.33 0.42 0.44 0.00 0.00 0.00 178.15 179.29 3dhg h ASP 252 N 1.14 0.53 -0.54 1.72 3.32 -0.79 0.12 116.42 121.92 3dhg h ASP 252 Ca 0.26 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 3dhg h ASP 252 Cb 0.20 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3dhg h ASP 252 CO -0.02 0.27 0.06 -1.28 -1.72 0.00 0.00 179.24 176.55 3dhg h SER 253 N 0.65 0.88 -0.53 6.45 0.87 -0.93 -2.14 113.55 118.79 3dhg h SER 253 Ca 0.41 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 3dhg h SER 253 Cb 0.50 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3dhg h SER 253 CO -0.31 0.93 0.09 1.56 -0.53 0.00 0.00 176.83 178.57 3dhg h GLN 254 N 0.80 0.93 -0.24 2.24 4.20 -1.05 -2.71 115.11 119.28 3dhg h GLN 254 Ca 0.16 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3dhg h GLN 254 Cb 0.44 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3dhg h GLN 254 CO 0.02 0.87 0.02 -0.07 -0.67 0.00 0.00 178.83 178.99 3dhg h LEU 255 N 0.88 0.32 -0.16 1.46 3.38 -0.55 -0.19 115.31 120.45 3dhg h LEU 255 Ca 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dhg h LEU 255 Cb 0.40 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dhg h LEU 255 CO 0.01 0.36 0.08 0.50 0.09 0.00 0.00 178.44 179.48 3dhg h LYS 256 N 0.34 0.22 -0.30 1.13 3.64 -1.07 0.92 116.57 121.46 3dhg h LYS 256 Ca 0.08 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3dhg h LYS 256 Cb 0.21 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 3dhg h LYS 256 CO 0.00 0.26 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.87 3dhg h ASP 257 N 0.14 -0.46 -0.76 4.20 3.32 -1.28 -2.03 116.42 119.54 3dhg h ASP 257 Ca 0.05 0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.27 3dhg h ASP 257 Cb 0.10 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 3dhg h ASP 257 CO -0.01 -0.17 0.50 0.00 -1.72 0.00 0.00 179.24 177.84 3dhg h ALA 258 N 1.16 1.63 -0.11 3.45 0.00 -0.63 -1.11 119.26 123.64 3dhg h ALA 258 Ca 0.15 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 3dhg h ALA 258 Cb 0.32 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dhg h ALA 258 CO -0.36 0.26 -0.81 1.49 0.00 0.00 0.00 179.25 179.83 3dhg h GLU 259 N 0.84 0.70 -0.86 0.00 4.57 -0.62 -1.11 114.58 118.10 3dhg h GLU 259 Ca 0.32 -0.60 0.01 0.00 -1.18 0.00 0.00 59.36 57.92 3dhg h GLU 259 Cb 0.19 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 3dhg h GLU 259 CO -0.11 1.21 0.57 -0.09 -1.18 0.00 0.00 179.01 179.41 3dhg h ARG 260 N 0.46 1.11 -0.74 1.92 2.43 -0.77 0.22 114.38 119.01 3dhg h ARG 260 Ca -0.06 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 3dhg h ARG 260 Cb 1.43 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3dhg h ARG 260 CO 0.16 0.74 0.28 0.45 -1.51 0.00 0.00 179.97 180.09 3dhg h HIS 261 N 1.15 1.12 -0.28 2.20 3.86 -0.90 -2.33 115.15 119.96 3dhg h HIS 261 Ca 0.32 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3dhg h HIS 261 Cb -0.11 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.01 3dhg h HIS 261 CO -0.01 0.85 0.18 1.03 0.86 0.00 0.00 177.93 180.84 3dhg h SER 262 N 1.07 0.33 -0.25 2.45 0.87 -0.70 -1.78 113.55 115.55 3dhg h SER 262 Ca 0.25 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.83 3dhg h SER 262 Cb 0.22 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 3dhg h SER 262 CO -0.02 0.26 -0.10 0.03 -0.53 0.00 0.00 176.83 176.47 3dhg h ARG 263 N 0.37 -0.06 -0.28 2.24 3.08 -0.58 -0.21 114.38 118.94 3dhg h ARG 263 Ca 0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 3dhg h ARG 263 Cb -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3dhg h ARG 263 CO -0.02 -0.04 -0.37 0.11 -1.07 0.00 0.00 179.97 178.58 3dhg h TRP 264 N -0.06 0.77 -0.30 3.04 5.08 -1.37 -2.10 115.95 121.02 3dhg h TRP 264 Ca 0.13 -0.22 0.01 0.00 1.08 0.00 0.00 58.89 59.90 3dhg h TRP 264 Cb 0.25 -0.17 -0.02 0.00 -3.00 0.00 0.00 29.16 26.23 3dhg h TRP 264 CO -0.28 0.93 0.17 0.77 -1.28 0.00 0.00 178.44 178.74 3dhg h SER 265 N 0.54 0.27 -0.82 0.11 0.02 -1.10 0.06 113.55 112.63 3dhg h SER 265 Ca 0.05 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3dhg h SER 265 Cb 0.89 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 3dhg h SER 265 CO 0.08 0.20 0.54 0.11 -1.14 0.00 0.00 176.83 176.62 3dhg h LYS 266 N 0.35 1.04 -0.32 3.45 1.57 -0.94 -0.91 116.57 120.81 3dhg h LYS 266 Ca 0.12 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 3dhg h LYS 266 Cb 0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3dhg h LYS 266 CO -0.06 0.69 -0.32 0.00 -0.57 0.00 0.00 179.45 179.19 3dhg h ALA 267 N 1.50 0.84 -0.46 3.86 0.00 -0.67 -1.68 119.26 122.66 3dhg h ALA 267 Ca 0.31 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3dhg h ALA 267 Cb -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3dhg h ALA 267 CO -0.08 0.64 0.02 1.25 0.00 0.00 0.00 179.25 181.08 3dhg h LEU 268 N 0.59 0.78 -0.74 0.00 5.85 -0.37 -0.84 115.31 120.58 3dhg h LEU 268 Ca 0.07 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.54 3dhg h LEU 268 Cb 0.83 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 3dhg h LEU 268 CO 0.07 0.88 0.44 0.58 -0.34 0.00 0.00 178.44 180.07 3dhg h VAL 269 N 0.65 1.01 -0.44 1.05 2.07 -1.04 0.20 116.25 119.75 3dhg h VAL 269 Ca 0.13 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3dhg h VAL 269 Cb 0.48 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3dhg h VAL 269 CO 0.02 0.15 0.21 0.50 0.02 0.00 0.00 177.57 178.47 3dhg h LYS 270 N 0.81 0.64 -0.14 1.57 3.64 -1.08 0.59 116.57 122.59 3dhg h LYS 270 Ca 0.32 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3dhg h LYS 270 Cb 0.16 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3dhg h LYS 270 CO -0.17 0.55 0.06 1.25 -2.27 0.00 0.00 179.45 178.87 3dhg h HIS 271 N 0.57 0.12 -0.62 1.91 2.76 -0.64 -2.80 115.15 116.44 3dhg h HIS 271 Ca 0.15 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 3dhg h HIS 271 Cb 0.12 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 3dhg h HIS 271 CO -0.01 0.07 0.41 0.00 -1.30 0.00 0.00 177.93 177.10 3dhg h ALA 272 N 1.08 1.62 0.00 5.26 0.00 -0.27 -2.26 119.26 124.69 3dhg h ALA 272 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dhg h ALA 272 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3dhg h ALA 272 CO -0.05 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.81 3dhg n LEU 273 N -4.46 0.00 0.26 0.00 4.77 0.17 -1.62 117.00 116.13 3dhg n LEU 273 Ca 0.07 0.18 0.09 0.00 -0.03 0.00 0.00 56.01 56.33 3dhg n LEU 273 Cb 0.10 -0.18 0.69 0.00 -2.33 0.00 0.00 43.42 41.70 3dhg n LEU 273 CO 0.35 -0.08 1.06 -0.33 -1.33 0.00 0.00 177.39 177.07 3dhg h GLU 274 N 0.00 0.00 -4.80 3.23 5.08 -1.42 -3.33 114.58 113.34 3dhg h GLU 274 Ca 0.00 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.66 3dhg h GLU 274 Cb 0.10 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.16 3dhg h GLU 274 CO 0.00 0.02 -0.16 1.21 -1.00 0.00 0.00 179.01 179.08 3dhg s ASN 275 N -6.84 6.20 0.32 1.42 2.47 -0.64 -4.96 114.94 112.91 3dhg s ASN 275 Ca -0.05 -0.84 0.25 0.00 0.42 0.00 0.00 52.86 52.64 3dhg s ASN 275 Cb 0.16 -2.23 1.13 0.00 -1.45 0.00 0.00 41.25 38.86 3dhg s ASN 275 CO 0.64 -0.67 1.75 1.55 -3.72 0.00 0.00 177.10 176.65 3dhg h PRO 276 N 8.80 0.00 0.00 0.43 0.13 -1.84 -0.13 132.00 139.39 3dhg h PRO 276 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 3dhg h PRO 276 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3dhg h PRO 276 CO 0.85 0.00 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.12 3dhg h ASP 277 N 0.00 0.00 0.92 1.44 3.32 -1.92 -3.15 116.42 117.03 3dhg h ASP 277 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3dhg h ASP 277 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3dhg h ASP 277 CO 0.00 0.06 -0.50 0.78 -1.72 0.00 0.00 179.24 177.85 3dhg h ASN 278 N 0.00 0.00 -0.16 6.45 2.35 -1.28 -3.26 115.58 119.69 3dhg h ASN 278 Ca -0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3dhg h ASN 278 Cb 0.20 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 3dhg h ASN 278 CO 0.01 0.50 -0.13 -0.74 -1.65 0.00 0.00 177.43 175.42 3dhg h HIS 279 N 0.00 -0.33 -0.81 1.19 2.76 -1.72 0.63 115.15 116.87 3dhg h HIS 279 Ca -0.01 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3dhg h HIS 279 Cb 1.10 0.17 -0.04 0.00 1.55 0.00 0.00 27.41 30.19 3dhg h HIS 279 CO 0.00 -0.20 0.44 0.00 -1.30 0.00 0.00 177.93 176.87 3dhg h ALA 280 N 0.95 1.26 -0.11 5.26 0.00 -1.78 -0.12 119.26 124.72 3dhg h ALA 280 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3dhg h ALA 280 Cb 0.30 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dhg h ALA 280 CO -0.25 0.60 0.01 0.28 0.00 0.00 0.00 179.25 179.90 3dhg h VAL 281 N 1.13 1.23 0.05 0.00 2.07 -1.45 0.11 116.25 119.40 3dhg h VAL 281 Ca 0.28 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3dhg h VAL 281 Cb 0.03 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3dhg h VAL 281 CO -0.05 0.21 -0.02 0.40 0.02 0.00 0.00 177.57 178.13 3dhg h ILE 282 N -0.07 0.99 -0.63 4.57 2.04 -0.73 -2.07 117.51 121.61 3dhg h ILE 282 Ca 0.03 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3dhg h ILE 282 Cb 0.32 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3dhg h ILE 282 CO 0.00 0.03 0.33 -0.33 0.00 0.00 0.00 178.15 178.19 3dhg h GLU 283 N -0.12 0.87 -0.48 2.37 4.39 -0.99 -1.82 114.58 118.80 3dhg h GLU 283 Ca -0.01 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.64 3dhg h GLU 283 Cb 0.11 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 3dhg h GLU 283 CO 0.01 0.65 0.23 0.78 -1.16 0.00 0.00 179.01 179.52 3dhg h GLY 284 N 0.95 0.66 1.27 -3.84 0.00 -0.55 -0.28 103.07 101.27 3dhg h GLY 284 Ca 0.22 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 3dhg h GLY 284 CO -0.03 0.09 -0.26 1.49 0.00 0.00 0.00 176.54 177.82 3dhg h TRP 285 N 0.45 0.95 -0.08 5.60 6.55 -1.02 -0.91 115.95 127.49 3dhg h TRP 285 Ca 0.21 -0.24 0.01 0.00 0.95 0.00 0.00 58.89 59.82 3dhg h TRP 285 Cb 0.14 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.21 3dhg h TRP 285 CO -0.11 1.00 0.03 0.82 -1.05 0.00 0.00 178.44 179.12 3dhg h ILE 286 N 0.71 0.98 -0.97 1.49 2.04 -1.19 -1.05 117.51 119.51 3dhg h ILE 286 Ca 0.09 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 66.03 3dhg h ILE 286 Cb 0.80 0.91 -0.08 0.00 -0.74 0.00 0.00 36.82 37.71 3dhg h ILE 286 CO 0.07 0.01 0.60 -0.33 0.00 0.00 0.00 178.15 178.50 3dhg h GLU 287 N 0.07 0.95 -0.50 2.37 5.08 -0.95 0.16 114.58 121.76 3dhg h GLU 287 Ca 0.04 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3dhg h GLU 287 Cb 0.02 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3dhg h GLU 287 CO -0.04 0.63 0.22 -0.22 -1.00 0.00 0.00 179.01 178.60 3dhg h LYS 288 N 0.98 0.74 0.00 2.33 3.64 -0.59 -3.36 116.57 120.32 3dhg h LYS 288 Ca 0.47 -0.12 -0.29 0.00 -1.27 0.00 0.00 60.65 59.43 3dhg h LYS 288 Cb 0.42 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 3dhg h LYS 288 CO -0.25 0.64 -1.80 0.91 -2.27 0.00 0.00 179.45 176.68 3dhg n TRP 289 N -4.58 0.81 -0.34 1.91 7.02 -0.45 -4.37 117.44 117.44 3dhg n TRP 289 Ca 0.02 0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.79 3dhg n TRP 289 Cb 0.14 -1.14 0.06 0.00 -2.42 0.00 0.00 31.31 27.95 3dhg n TRP 289 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 3dhg h ARG 290 N 0.00 -0.02 -0.43 -0.99 2.43 -1.12 -1.48 114.38 112.77 3dhg h ARG 290 Ca -0.32 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.80 3dhg h ARG 290 Cb 2.00 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.54 3dhg h ARG 290 CO 0.07 -0.01 0.02 -1.35 -1.51 0.00 0.00 179.97 177.19 3dhg h PRO 291 N -0.02 0.68 -0.53 0.20 0.11 -1.77 0.37 132.00 131.04 3dhg h PRO 291 Ca 0.36 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 66.25 3dhg h PRO 291 Cb 0.62 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 3dhg h PRO 291 CO -0.94 0.68 0.05 -0.07 -0.21 0.00 0.00 178.00 177.51 3dhg h LEU 292 N 0.64 0.82 -0.38 2.35 3.38 -1.61 -1.36 115.31 119.16 3dhg h LEU 292 Ca 0.13 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3dhg h LEU 292 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dhg h LEU 292 CO 0.01 0.85 -0.35 0.00 0.09 0.00 0.00 178.44 179.05 3dhg h ALA 293 N 1.24 0.55 -0.40 1.53 0.00 -0.56 -1.83 119.26 119.80 3dhg h ALA 293 Ca 0.16 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3dhg h ALA 293 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3dhg h ALA 293 CO 0.01 0.62 -0.02 -0.44 0.00 0.00 0.00 179.25 179.43 3dhg h ASP 294 N 0.71 0.70 -0.87 0.00 3.32 -0.82 -1.07 116.42 118.38 3dhg h ASP 294 Ca 0.06 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3dhg h ASP 294 Cb 0.94 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 3dhg h ASP 294 CO 0.09 0.85 0.56 0.03 -1.72 0.00 0.00 179.24 179.05 3dhg h ARG 295 N 0.54 1.16 0.04 3.56 3.08 -1.27 0.30 114.38 121.78 3dhg h ARG 295 Ca 0.11 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3dhg h ARG 295 Cb 0.50 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3dhg h ARG 295 CO 0.02 0.79 -0.17 0.00 -1.07 0.00 0.00 179.97 179.53 3dhg h ALA 296 N 1.31 -0.24 -0.51 0.04 0.00 -1.09 -1.83 119.26 116.93 3dhg h ALA 296 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3dhg h ALA 296 Cb -0.11 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3dhg h ALA 296 CO -0.07 -0.68 0.33 0.00 0.00 0.00 0.00 179.25 178.83 3dhg h ALA 297 N 0.58 0.65 -0.34 0.00 0.00 -0.85 -1.91 119.26 117.40 3dhg h ALA 297 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dhg h ALA 297 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3dhg h ALA 297 CO -0.14 0.12 0.13 0.93 0.00 0.00 0.00 179.25 180.28 3dhg h GLU 298 N 0.69 0.51 -0.63 0.00 5.08 -0.84 -1.35 114.58 118.04 3dhg h GLU 298 Ca 0.19 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3dhg h GLU 298 Cb -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3dhg h GLU 298 CO -0.04 0.51 0.08 0.00 -1.00 0.00 0.00 179.01 178.56 3dhg h ALA 299 N 0.97 0.84 -0.45 3.43 0.00 -1.29 -1.95 119.26 120.81 3dhg h ALA 299 Ca 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3dhg h ALA 299 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dhg h ALA 299 CO -0.01 0.62 0.18 -0.92 0.00 0.00 0.00 179.25 179.12 3dhg h TYR 300 N 0.97 0.69 -0.26 0.00 3.20 -1.17 -2.57 116.97 117.82 3dhg h TYR 300 Ca 0.19 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.86 3dhg h TYR 300 Cb 0.46 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3dhg h TYR 300 CO 0.03 0.59 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.64 3dhg h LEU 301 N 0.59 0.70 -0.92 2.82 3.38 -1.10 -0.56 115.31 120.22 3dhg h LEU 301 Ca 0.15 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3dhg h LEU 301 Cb 0.19 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3dhg h LEU 301 CO -0.01 1.04 0.58 0.28 0.09 0.00 0.00 178.44 180.42 3dhg h SER 302 N 0.53 0.94 -0.19 -0.43 0.02 -1.36 -0.42 113.55 112.64 3dhg h SER 302 Ca 0.04 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3dhg h SER 302 Cb 0.96 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3dhg h SER 302 CO 0.09 0.61 0.04 -0.03 -1.14 0.00 0.00 176.83 176.40 3dhg h MET 303 N 1.08 0.31 -0.55 3.45 1.85 -0.99 -2.36 114.93 117.71 3dhg h MET 303 Ca 0.39 -0.08 -0.09 0.00 -0.61 0.00 0.00 59.70 59.31 3dhg h MET 303 Cb 0.12 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 3dhg h MET 303 CO -0.16 0.45 -0.01 1.25 -0.40 0.00 0.00 176.91 178.04 3dhg h LEU 304 N 0.11 0.96 -0.13 3.39 5.85 -0.84 -2.54 115.31 122.11 3dhg h LEU 304 Ca 0.06 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3dhg h LEU 304 Cb 0.28 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3dhg h LEU 304 CO 0.00 1.04 0.00 0.77 -0.34 0.00 0.00 178.44 179.91 3dhg h SER 305 N 0.86 0.00 0.00 1.25 4.64 -1.09 -3.51 113.55 115.70 3dhg h SER 305 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3dhg h SER 305 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3dhg h SER 305 CO 0.03 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.45