#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 2.27 0.18 -1.08 -1.05 -1.26 -5.11 118.70 112.66 3dhg s GLU 4 Ca 0.00 -1.68 -0.30 0.00 -0.15 0.00 0.00 54.97 52.84 3dhg s GLU 4 Cb 0.00 -2.07 -0.08 0.00 -0.44 0.00 0.00 34.13 31.54 3dhg s GLU 4 CO 0.00 0.03 0.97 0.45 0.95 0.00 0.00 175.26 177.67 3dhg s SER 5 N -3.85 7.53 0.02 0.83 0.15 -1.26 -5.06 113.70 112.07 3dhg s SER 5 Ca 0.38 1.91 0.01 0.00 0.70 0.00 0.00 55.95 58.95 3dhg s SER 5 Cb -0.00 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 3dhg s SER 5 CO 0.22 0.01 -0.04 -0.54 1.20 0.00 0.00 173.24 174.10 3dhg s LYS 6 N -0.62 0.30 0.63 5.44 1.02 -1.26 -5.16 119.74 120.10 3dhg s LYS 6 Ca 0.44 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.82 3dhg s LYS 6 Cb -0.26 -0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.00 3dhg s LYS 6 CO 0.32 -0.01 1.04 0.15 -0.92 0.00 0.00 175.35 175.92 3dhg s LYS 7 N -1.14 3.47 0.52 1.68 1.02 -1.26 -5.02 119.74 119.02 3dhg s LYS 7 Ca -0.11 0.78 -0.22 0.00 0.02 0.00 0.00 55.97 56.44 3dhg s LYS 7 Cb -0.08 -2.06 -0.06 0.00 -0.52 0.00 0.00 37.83 35.11 3dhg s LYS 7 CO -0.01 -0.67 1.35 -2.14 -0.92 0.00 0.00 175.35 172.97 3dhg s PRO 8 N -5.16 3.28 0.28 -1.68 0.02 -1.26 -5.02 135.00 125.47 3dhg s PRO 8 Ca 0.56 2.22 -0.05 0.00 0.02 0.00 0.00 61.00 63.75 3dhg s PRO 8 Cb -0.12 -2.34 -0.05 0.00 0.02 0.00 0.00 34.50 32.02 3dhg s PRO 8 CO 0.54 -1.07 0.54 -1.64 -0.33 0.00 0.00 177.00 175.04 3dhg s MET 9 N -2.81 3.64 0.23 5.54 -1.94 -1.26 -4.99 119.30 117.71 3dhg s MET 9 Ca 0.69 0.00 0.25 0.00 -1.71 0.00 0.00 55.69 54.93 3dhg s MET 9 Cb -0.40 -2.66 0.87 0.00 2.01 0.00 0.00 34.83 34.66 3dhg s MET 9 CO 0.48 0.23 1.76 0.54 -0.01 0.00 0.00 175.02 178.02 3dhg n ARG 10 N -0.87 0.24 -3.17 2.03 1.74 -1.26 -4.90 116.66 110.47 3dhg n ARG 10 Ca -0.02 0.29 -0.09 0.00 -0.77 0.00 0.00 57.85 57.27 3dhg n ARG 10 Cb 0.54 -1.84 -0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3dhg n ARG 10 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3dhg n THR 11 N -2.27 0.00 -1.64 0.55 5.66 -1.26 -4.94 114.28 110.37 3dhg n THR 11 Ca 0.04 -1.02 -0.42 0.00 -3.05 0.00 0.00 64.05 59.61 3dhg n THR 11 Cb 0.36 0.76 0.01 0.00 -1.55 0.00 0.00 70.33 69.91 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 -0.41 1.56 -0.28 1.09 5.03 -1.26 -4.68 117.44 118.49 3dhg n TRP 12 Ca -0.03 0.55 0.18 0.00 3.03 0.00 0.00 57.50 61.23 3dhg n TRP 12 Cb 0.43 -2.29 0.46 0.00 -1.03 0.00 0.00 31.31 28.88 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 1.81 0.51 1.07 -0.99 4.64 -1.99 0.15 113.55 118.75 3dhg h SER 13 Ca -0.45 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3dhg h SER 13 Cb 1.32 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3dhg h SER 13 CO 0.58 0.19 0.00 1.12 -0.87 0.00 0.00 176.83 177.85 3dhg h HIS 14 N 0.50 0.00 0.00 4.77 2.07 -2.02 -3.20 115.15 117.28 3dhg h HIS 14 Ca 0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 3dhg h HIS 14 Cb 1.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.12 3dhg h HIS 14 CO -0.00 0.00 -1.11 1.28 -3.07 0.00 0.00 177.93 175.03 3dhg n LEU 15 N -2.93 0.32 0.13 6.12 4.77 0.33 -4.75 117.00 120.98 3dhg n LEU 15 Ca 0.01 -0.26 0.01 0.00 -0.03 0.00 0.00 56.01 55.75 3dhg n LEU 15 Cb 0.31 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.74 3dhg n LEU 15 CO 0.27 0.08 0.78 0.00 -1.33 0.00 0.00 177.39 177.18 3dhg h ALA 16 N 1.56 1.36 -0.34 -1.18 0.00 -0.99 -0.85 119.26 118.83 3dhg h ALA 16 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3dhg h ALA 16 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dhg h ALA 16 CO 0.00 0.45 0.04 0.93 0.00 0.00 0.00 179.25 180.66 3dhg h GLU 17 N 0.16 0.57 0.00 0.00 3.07 -1.86 -3.30 114.58 113.23 3dhg h GLU 17 Ca 0.02 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 58.71 3dhg h GLU 17 Cb 0.57 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3dhg h GLU 17 CO 0.04 0.67 -0.81 0.00 -1.40 0.00 0.00 179.01 177.51 3dhg h MET 18 N 0.40 0.00 -3.50 2.33 -0.00 -1.83 -3.47 114.93 108.85 3dhg h MET 18 Ca 0.10 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.55 3dhg h MET 18 Cb 0.38 0.00 -0.31 0.00 -0.00 0.00 0.00 31.60 31.68 3dhg h MET 18 CO 0.01 0.04 -0.67 1.03 -0.00 0.00 0.00 176.91 177.32 3dhg s ARG 19 N -3.29 0.03 -0.04 -0.10 0.52 -0.35 -5.03 118.95 110.70 3dhg s ARG 19 Ca 0.01 0.18 -0.07 0.00 -0.52 0.00 0.00 55.73 55.33 3dhg s ARG 19 Cb 0.08 -0.11 -0.29 0.00 0.52 0.00 0.00 34.95 35.15 3dhg s ARG 19 CO 0.77 -0.10 0.68 0.87 0.02 0.00 0.00 175.30 177.54 3dhg h LYS 20 N 6.75 0.32 -2.18 3.54 1.79 -1.86 -3.40 116.57 121.54 3dhg h LYS 20 Ca -0.36 -0.54 -0.47 0.00 -2.18 0.00 0.00 60.65 57.10 3dhg h LYS 20 Cb 1.16 0.20 -0.34 0.00 -1.58 0.00 0.00 32.23 31.67 3dhg h LYS 20 CO 0.47 1.21 -0.79 0.21 -1.08 0.00 0.00 179.45 179.47 3dhg s LYS 21 N -2.59 0.69 0.96 3.15 2.20 -1.26 -4.65 119.74 118.23 3dhg s LYS 21 Ca -0.14 -1.28 -0.12 0.00 -0.36 0.00 0.00 55.97 54.07 3dhg s LYS 21 Cb 0.06 -1.01 0.16 0.00 -1.51 0.00 0.00 37.83 35.54 3dhg s LYS 21 CO 0.84 -1.25 1.09 -2.14 -0.36 0.00 0.00 175.35 173.53 3dhg s PRO 22 N 1.00 0.76 0.73 4.03 0.02 -1.26 -4.99 135.00 135.29 3dhg s PRO 22 Ca 0.21 0.89 -0.11 0.00 0.02 0.00 0.00 61.00 62.01 3dhg s PRO 22 Cb -0.13 -1.75 0.03 0.00 0.02 0.00 0.00 34.50 32.67 3dhg s PRO 22 CO -0.05 -2.60 1.08 -1.54 -0.33 0.00 0.00 177.00 173.56 3dhg s SER 23 N -3.16 4.92 0.22 2.53 1.04 -1.26 -4.82 113.70 113.17 3dhg s SER 23 Ca 0.65 1.77 -0.11 0.00 0.48 0.00 0.00 55.95 58.74 3dhg s SER 23 Cb -0.20 -2.52 0.32 0.00 0.10 0.00 0.00 66.02 63.72 3dhg s SER 23 CO 0.59 -1.75 1.64 -0.08 0.98 0.00 0.00 173.24 174.61 3dhg h GLU 24 N -0.81 0.06 -0.32 4.02 4.81 -1.99 -0.80 114.58 119.55 3dhg h GLU 24 Ca -0.44 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.86 3dhg h GLU 24 Cb 1.22 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.51 3dhg h GLU 24 CO 0.54 0.04 -0.20 -0.92 -0.73 0.00 0.00 179.01 177.74 3dhg h TYR 25 N 0.06 -0.50 -0.46 0.92 3.20 -1.92 -1.70 116.97 116.58 3dhg h TYR 25 Ca 0.34 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 3dhg h TYR 25 Cb 0.56 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3dhg h TYR 25 CO -0.45 -0.27 0.24 -0.44 -1.64 0.00 0.00 178.16 175.60 3dhg h ASP 26 N -0.16 0.59 -0.70 -2.11 3.32 -1.68 -0.91 116.42 114.77 3dhg h ASP 26 Ca 0.16 -0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.22 3dhg h ASP 26 Cb 0.41 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 39.73 3dhg h ASP 26 CO -0.41 0.53 0.30 0.40 -1.72 0.00 0.00 179.24 178.34 3dhg h ILE 27 N 0.61 0.77 -0.01 0.35 2.04 -0.62 -2.81 117.51 117.84 3dhg h ILE 27 Ca 0.16 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3dhg h ILE 27 Cb 0.08 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3dhg h ILE 27 CO -0.02 0.09 -0.62 1.33 0.00 0.00 0.00 178.15 178.93 3dhg n VAL 28 N -4.94 0.00 0.00 1.67 0.24 -0.69 -4.61 118.33 110.00 3dhg n VAL 28 Ca 0.11 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3dhg n VAL 28 Cb 0.31 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.61 4.48 -4.75 -1.34 7.64 -0.36 -5.06 113.62 113.62 3dhg n SER 29 Ca 0.08 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.58 3dhg n SER 29 Cb 0.41 0.84 -0.06 0.00 -1.01 0.00 0.00 64.21 64.39 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 -1.81 4.22 -1.15 1.43 6.06 -1.07 -3.70 118.95 122.94 3dhg s ARG 30 Ca 0.00 0.41 -0.04 0.00 -2.50 0.00 0.00 55.73 53.60 3dhg s ARG 30 Cb 0.00 -3.37 -0.03 0.00 0.06 0.00 0.00 34.95 31.61 3dhg s ARG 30 CO 0.00 0.32 0.91 1.17 -2.50 0.00 0.00 175.30 175.20 3dhg n LYS 31 N 3.11 -4.09 -0.00 5.12 3.00 -1.26 -4.96 118.16 119.07 3dhg n LYS 31 Ca -0.10 0.79 0.09 0.00 -0.00 0.00 0.00 58.31 59.10 3dhg n LYS 31 Cb 0.52 -5.61 -0.12 0.00 0.00 0.00 0.00 35.03 29.81 3dhg n LYS 31 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3dhg n LEU 32 N -3.78 0.44 -4.55 3.14 4.77 -1.26 -4.82 117.00 110.95 3dhg n LEU 32 Ca -0.18 -0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.12 3dhg n LEU 32 Cb 0.64 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 3dhg n LEU 32 CO 0.62 0.11 1.45 -1.00 -1.33 0.00 0.00 177.39 177.24 3dhg s HIS 33 N -2.99 2.63 0.01 -1.77 3.76 -1.26 -4.78 115.29 110.89 3dhg s HIS 33 Ca 0.00 -0.98 0.31 0.00 -0.15 0.00 0.00 55.06 54.25 3dhg s HIS 33 Cb 0.13 -4.65 1.45 0.00 1.11 0.00 0.00 32.58 30.62 3dhg s HIS 33 CO 0.76 -1.87 1.94 0.10 -0.85 0.00 0.00 174.74 174.82 3dhg h TYR 34 N 9.50 0.00 0.00 1.40 -0.00 -1.95 -2.79 116.97 123.12 3dhg h TYR 34 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.94 3dhg h TYR 34 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.73 3dhg h TYR 34 CO 1.27 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 178.30 3dhg n SER 35 N -2.73 0.08 -0.55 0.10 3.41 -1.26 -1.67 113.62 111.00 3dhg n SER 35 Ca 0.00 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 3dhg n SER 35 Cb 0.20 -0.54 0.37 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.59 0.00 -0.02 6.66 -2.24 -1.05 -4.34 114.28 111.69 3dhg n THR 36 Ca 0.02 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 3dhg n THR 36 Cb 0.13 0.76 0.01 0.00 -2.10 0.00 0.00 70.33 69.12 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 2.72 0.76 -3.54 3.42 2.35 -1.52 -3.40 115.58 116.37 3dhg h ASN 37 Ca 0.00 -0.43 -0.69 0.00 -0.55 0.00 0.00 56.30 54.63 3dhg h ASN 37 Cb 0.63 -0.22 -0.34 0.00 0.05 0.00 0.00 38.32 38.44 3dhg h ASN 37 CO 0.00 1.18 -0.58 0.21 -1.65 0.00 0.00 177.43 176.60 3dhg s ASN 38 N -6.96 5.20 0.32 5.81 3.84 -1.26 -5.00 114.94 116.90 3dhg s ASN 38 Ca -0.09 -1.86 0.05 0.00 0.21 0.00 0.00 52.86 51.17 3dhg s ASN 38 Cb 0.10 -1.81 0.68 0.00 -0.55 0.00 0.00 41.25 39.67 3dhg s ASN 38 CO 0.87 -0.49 1.87 -0.65 -2.79 0.00 0.00 177.10 175.91 3dhg h PRO 39 N 8.05 0.82 -0.00 0.43 0.11 -1.91 -2.40 132.00 137.10 3dhg h PRO 39 Ca -0.15 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3dhg h PRO 39 Cb 1.05 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3dhg h PRO 39 CO 0.67 0.55 -0.43 -3.47 -0.21 0.00 0.00 178.00 175.10 3dhg n ASP 40 N -4.57 0.66 -3.27 -2.05 2.03 -1.26 -4.37 116.55 103.72 3dhg n ASP 40 Ca 0.17 -0.45 -0.24 0.00 0.52 0.00 0.00 54.79 54.78 3dhg n ASP 40 Cb 0.38 0.22 -0.08 0.00 -0.72 0.00 0.00 41.12 40.92 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 -1.24 -0.52 -0.18 1.67 2.88 -0.93 -4.67 113.62 110.63 3dhg n SER 41 Ca 0.08 -2.53 -0.02 0.00 -1.33 0.00 0.00 58.87 55.07 3dhg n SER 41 Cb 0.34 -0.38 0.05 0.00 -0.75 0.00 0.00 64.21 63.46 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 5.03 -0.02 -6.00 -1.46 0.11 -1.70 -3.41 132.00 124.55 3dhg h PRO 42 Ca 0.18 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.71 3dhg h PRO 42 Cb 0.91 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 3dhg h PRO 42 CO 0.38 -0.01 -0.50 -1.58 -0.21 0.00 0.00 178.00 176.08 3dhg s TRP 43 N -6.21 3.46 -1.33 0.65 0.52 -1.26 -4.25 118.94 110.52 3dhg s TRP 43 Ca -0.14 0.17 -0.16 0.00 0.02 0.00 0.00 56.10 55.99 3dhg s TRP 43 Cb 0.18 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.81 3dhg s TRP 43 CO 0.72 0.55 2.14 -1.91 0.02 0.00 0.00 176.95 178.48 3dhg n GLU 44 N -0.08 2.64 -3.71 4.98 4.07 -1.26 -4.77 120.64 122.52 3dhg n GLU 44 Ca -0.06 -2.53 -0.13 0.00 -0.06 0.00 0.00 57.16 54.38 3dhg n GLU 44 Cb 0.52 -3.25 -0.03 0.00 -0.06 0.00 0.00 31.44 28.62 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 6.61 0.00 -4.67 4.31 4.77 -1.26 -5.11 117.00 121.65 3dhg n LEU 45 Ca 0.51 -2.53 -0.45 0.00 -0.03 0.00 0.00 56.01 53.51 3dhg n LEU 45 Cb 0.40 2.18 -0.03 0.00 -2.33 0.00 0.00 43.42 43.63 3dhg n LEU 45 CO 0.91 -0.57 1.09 -0.24 -1.33 0.00 0.00 177.39 177.25 3dhg n SER 46 N -1.70 2.88 -0.28 -1.43 2.88 -1.26 -4.85 113.62 109.86 3dhg n SER 46 Ca 0.01 1.12 0.28 0.00 -1.33 0.00 0.00 58.87 58.95 3dhg n SER 46 Cb 0.52 -1.42 0.65 0.00 -0.75 0.00 0.00 64.21 63.20 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 4.97 0.16 -0.54 -1.46 0.11 -1.89 -0.60 132.00 132.75 3dhg h PRO 47 Ca -0.45 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3dhg h PRO 47 Cb 1.27 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3dhg h PRO 47 CO 0.82 0.10 0.08 -0.25 -0.21 0.00 0.00 178.00 178.54 3dhg n ASP 48 N -4.37 4.87 -4.65 -2.05 8.00 -1.26 -4.43 116.55 112.66 3dhg n ASP 48 Ca 0.23 -3.09 -0.37 0.00 0.71 0.00 0.00 54.79 52.27 3dhg n ASP 48 Cb 1.00 -0.67 0.07 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.02 1.06 -0.25 -2.24 3.41 -0.23 -4.73 113.62 110.65 3dhg n SER 49 Ca 0.31 0.77 0.03 0.00 -0.26 0.00 0.00 58.87 59.71 3dhg n SER 49 Cb 1.18 -1.44 0.16 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.26 0.56 -0.13 4.33 0.11 -1.93 -0.78 132.00 134.42 3dhg h PRO 50 Ca -0.49 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.44 3dhg h PRO 50 Cb 1.35 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3dhg h PRO 50 CO 0.50 0.37 -0.56 1.98 -0.21 0.00 0.00 178.00 180.08 3dhg h MET 51 N 0.58 0.39 -0.97 1.05 4.05 -1.96 -0.93 114.93 117.13 3dhg h MET 51 Ca 0.38 -0.25 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 3dhg h MET 51 Cb 0.45 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.23 3dhg h MET 51 CO -0.31 0.85 0.64 -0.91 0.23 0.00 0.00 176.91 177.41 3dhg h ASN 52 N 0.30 1.08 -0.12 1.39 2.35 -1.70 -1.43 115.58 117.45 3dhg h ASN 52 Ca 0.00 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 3dhg h ASN 52 Cb 1.08 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 3dhg h ASN 52 CO 0.10 0.75 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.33 3dhg h LEU 53 N 1.26 0.56 -0.09 1.61 3.38 -0.58 -1.08 115.31 120.36 3dhg h LEU 53 Ca 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3dhg h LEU 53 Cb -0.04 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3dhg h LEU 53 CO -0.11 0.79 0.02 -0.25 0.09 0.00 0.00 178.44 178.97 3dhg h TRP 54 N 0.49 0.16 -0.28 1.13 2.91 -0.89 -1.71 115.95 117.77 3dhg h TRP 54 Ca 0.07 -0.02 -0.15 0.00 1.13 0.00 0.00 58.89 59.92 3dhg h TRP 54 Cb 0.66 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.26 3dhg h TRP 54 CO 0.03 0.35 -0.43 1.88 -1.03 0.00 0.00 178.44 179.23 3dhg h TYR 55 N -0.07 0.85 -0.73 2.65 -1.99 -1.16 0.89 116.97 117.42 3dhg h TYR 55 Ca 0.03 -0.26 -0.04 0.00 2.00 0.00 0.00 58.73 60.46 3dhg h TYR 55 Cb 0.28 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.80 3dhg h TYR 55 CO 0.01 1.01 0.32 0.87 -0.00 0.00 0.00 178.16 180.37 3dhg h LYS 56 N 0.57 1.07 0.08 4.88 1.57 -1.15 -0.22 116.57 123.37 3dhg h LYS 56 Ca 0.04 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3dhg h LYS 56 Cb 0.98 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3dhg h LYS 56 CO 0.09 0.86 -0.04 0.37 -0.57 0.00 0.00 179.45 180.16 3dhg h GLN 57 N 1.03 -0.10 0.00 3.15 4.15 -1.08 -0.61 115.11 121.65 3dhg h GLN 57 Ca 0.25 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.58 3dhg h GLN 57 Cb 0.17 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3dhg h GLN 57 CO -0.02 0.38 -1.71 0.66 -1.93 0.00 0.00 178.83 176.21 3dhg n TYR 58 N -4.89 0.43 -0.02 3.99 4.01 0.29 -3.81 117.16 117.16 3dhg n TYR 58 Ca -0.08 0.14 -0.02 0.00 -0.16 0.00 0.00 57.90 57.77 3dhg n TYR 58 Cb 0.27 -0.81 -0.01 0.00 -0.31 0.00 0.00 39.34 38.48 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 -2.57 0.13 -0.28 -0.72 0.63 -0.24 -1.38 116.66 112.24 3dhg n ARG 59 Ca -0.09 0.05 0.02 0.00 -0.92 0.00 0.00 57.85 56.92 3dhg n ARG 59 Cb 0.72 -0.67 0.16 0.00 0.45 0.00 0.00 32.46 33.11 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 -0.25 0.63 -0.28 6.15 4.21 -1.19 -2.20 115.58 122.64 3dhg h ASN 60 Ca 0.00 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.56 3dhg h ASN 60 Cb 0.25 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 3dhg h ASN 60 CO 0.00 0.36 0.00 0.00 -1.29 0.00 0.00 177.43 176.50 3dhg n ALA 61 N -2.38 2.47 -1.65 -0.83 0.00 -0.24 -4.94 120.51 112.94 3dhg n ALA 61 Ca 0.13 -0.55 -0.45 0.00 0.00 0.00 0.00 53.44 52.57 3dhg n ALA 61 Cb 0.27 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 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 0.40 2.35 0.02 0.00 2.88 -0.83 -4.85 113.62 113.59 3dhg n SER 62 Ca 0.12 1.16 0.05 0.00 -1.33 0.00 0.00 58.87 58.87 3dhg n SER 62 Cb 0.28 -1.39 0.22 0.00 -0.75 0.00 0.00 64.21 62.58 3dhg n SER 62 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3dhg n PRO 63 N 1.52 0.03 -2.94 -1.46 -0.04 -1.26 -4.39 135.00 126.46 3dhg n PRO 63 Ca 0.10 0.39 -0.43 0.00 -0.04 0.00 0.00 63.50 63.52 3dhg n PRO 63 Cb 0.31 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 3dhg n PRO 63 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3dhg s LEU 64 N -3.22 4.17 0.03 1.53 2.96 -1.26 -4.94 118.68 117.95 3dhg s LEU 64 Ca 0.03 0.08 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 3dhg s LEU 64 Cb 0.06 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 3dhg s LEU 64 CO 0.17 -0.88 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.59 3dhg s LYS 65 N 3.31 1.32 -0.16 1.98 1.02 -1.26 -4.97 119.74 120.98 3dhg s LYS 65 Ca 0.32 -0.83 -0.21 0.00 0.02 0.00 0.00 55.97 55.26 3dhg s LYS 65 Cb -0.12 -1.37 0.05 0.00 -0.52 0.00 0.00 37.83 35.87 3dhg s LYS 65 CO 0.21 0.36 0.54 -1.58 -0.92 0.00 0.00 175.35 173.96 3dhg s HIS 66 N -0.72 -0.56 -1.39 3.18 2.46 -1.26 -4.78 115.29 112.22 3dhg s HIS 66 Ca 0.06 1.26 0.30 0.00 0.47 0.00 0.00 55.06 57.15 3dhg s HIS 66 Cb -0.08 0.23 1.41 0.00 -0.13 0.00 0.00 32.58 34.01 3dhg s HIS 66 CO 0.01 -0.36 1.99 -0.25 -2.47 0.00 0.00 174.74 173.66 3dhg n ASP 67 N 2.25 0.09 -2.97 9.88 10.43 -1.26 -4.29 116.55 130.68 3dhg n ASP 67 Ca -0.16 -0.12 -0.14 0.00 2.57 0.00 0.00 54.79 56.95 3dhg n ASP 67 Cb 0.56 -0.27 0.03 0.00 1.84 0.00 0.00 41.12 43.28 3dhg n ASP 67 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3dhg n ASN 68 N -1.27 -0.71 -0.05 -2.24 3.02 -1.26 -4.94 115.26 107.81 3dhg n ASN 68 Ca 0.13 -3.34 0.10 0.00 -0.03 0.00 0.00 54.58 51.44 3dhg n ASN 68 Cb 0.26 0.61 0.49 0.00 -0.61 0.00 0.00 39.78 40.54 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 3.01 0.43 0.00 3.10 4.06 -1.88 -1.81 115.95 122.87 3dhg h TRP 69 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3dhg h TRP 69 Cb 1.03 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 3dhg h TRP 69 CO 0.40 0.22 0.13 0.38 -3.56 0.00 0.00 178.44 176.01 3dhg h ASP 70 N 0.42 0.00 0.75 -3.49 2.03 -1.92 0.10 116.42 114.31 3dhg h ASP 70 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 3dhg h ASP 70 Cb 0.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 3dhg h ASP 70 CO -0.06 0.00 -0.33 0.00 -1.03 0.00 0.00 179.24 177.81 3dhg n ALA 71 N -1.77 3.03 -1.63 4.15 0.00 -0.68 -4.61 120.51 119.00 3dhg n ALA 71 Ca -0.02 -0.24 -0.46 0.00 0.00 0.00 0.00 53.44 52.72 3dhg n ALA 71 Cb 0.17 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.61 1.70 -4.68 0.00 7.35 0.02 -5.00 117.46 115.24 3dhg n PHE 72 Ca 0.06 0.58 -0.29 0.00 -0.76 0.00 0.00 57.45 57.04 3dhg n PHE 72 Cb 0.35 -2.35 -0.17 0.00 0.35 0.00 0.00 39.48 37.67 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 -0.44 1.59 0.01 -2.13 2.01 -1.26 -4.75 115.64 110.67 3dhg s THR 73 Ca 0.66 -0.72 -0.31 0.00 0.31 0.00 0.00 61.69 61.63 3dhg s THR 73 Cb -0.72 -1.42 -0.10 0.00 0.01 0.00 0.00 72.50 70.27 3dhg s THR 73 CO 0.54 0.46 1.93 -0.67 -0.69 0.00 0.00 174.62 176.19 3dhg n ASP 74 N 3.95 3.94 0.10 3.53 4.64 -1.26 -4.85 116.55 126.60 3dhg n ASP 74 Ca -0.20 0.93 0.15 0.00 -1.38 0.00 0.00 54.79 54.30 3dhg n ASP 74 Cb 0.52 -1.48 0.67 0.00 -1.04 0.00 0.00 41.12 39.79 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 9.94 0.00 0.00 -0.67 0.13 -1.91 0.35 132.00 139.84 3dhg h PRO 75 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3dhg h PRO 75 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3dhg h PRO 75 CO 0.94 0.00 -0.25 -0.25 -0.23 0.00 0.00 178.00 178.21 3dhg n ASP 76 N -4.43 0.38 -4.08 1.44 8.00 -1.26 -4.96 116.55 111.63 3dhg n ASP 76 Ca 0.05 0.22 -0.32 0.00 0.71 0.00 0.00 54.79 55.45 3dhg n ASP 76 Cb 0.40 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.28 3dhg n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhg n GLN 77 N -1.70 -3.59 -2.48 -1.24 6.02 0.11 -4.92 117.38 109.58 3dhg n GLN 77 Ca 0.06 0.42 -0.41 0.00 -0.01 0.00 0.00 57.00 57.06 3dhg n GLN 77 Cb 0.37 -4.97 -0.04 0.00 1.02 0.00 0.00 30.24 26.61 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 -7.17 4.53 0.40 1.08 1.43 -1.26 -4.77 118.68 112.92 3dhg s LEU 78 Ca 0.48 2.21 0.07 0.00 -1.03 0.00 0.00 54.13 55.86 3dhg s LEU 78 Cb -0.26 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.28 3dhg s LEU 78 CO 0.90 -0.18 0.11 0.68 0.23 0.00 0.00 176.35 178.09 3dhg s VAL 79 N -0.79 2.25 0.21 -1.59 -7.23 -1.26 -4.97 120.40 107.02 3dhg s VAL 79 Ca 0.47 -1.82 -0.13 0.00 -1.81 0.00 0.00 61.98 58.69 3dhg s VAL 79 Cb -0.31 -2.98 0.21 0.00 0.56 0.00 0.00 36.38 33.87 3dhg s VAL 79 CO 0.39 -0.02 1.64 0.22 -0.31 0.00 0.00 175.10 177.01 3dhg h TYR 80 N 1.58 -0.22 0.14 2.82 5.03 -1.99 0.05 116.97 124.37 3dhg h TYR 80 Ca -0.43 0.05 0.00 0.00 2.58 0.00 0.00 58.73 60.93 3dhg h TYR 80 Cb 1.25 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.71 3dhg h TYR 80 CO 0.67 -0.23 -0.13 -0.09 -1.32 0.00 0.00 178.16 177.05 3dhg h ARG 81 N 0.04 -0.29 0.00 1.82 2.43 -2.00 -2.21 114.38 114.17 3dhg h ARG 81 Ca 0.31 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.40 3dhg h ARG 81 Cb 0.48 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3dhg h ARG 81 CO -0.59 -0.19 -0.44 1.79 -1.51 0.00 0.00 179.97 179.03 3dhg h THR 82 N -0.30 1.26 -0.12 0.20 1.35 -1.87 -2.04 112.91 111.39 3dhg h THR 82 Ca 0.00 -1.53 -0.01 0.00 -0.55 0.00 0.00 66.41 64.32 3dhg h THR 82 Cb 0.28 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3dhg h THR 82 CO -0.04 0.43 0.05 0.22 -0.25 0.00 0.00 175.52 175.94 3dhg h TYR 83 N 0.00 0.18 -0.27 4.73 5.03 -0.85 -1.67 116.97 124.12 3dhg h TYR 83 Ca -0.00 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.20 3dhg h TYR 83 Cb 0.81 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.02 3dhg h TYR 83 CO 0.00 0.24 -0.24 -0.91 -1.32 0.00 0.00 178.16 175.94 3dhg h ASN 84 N 0.06 0.51 -0.04 -2.11 -0.26 -1.29 0.26 115.58 112.70 3dhg h ASN 84 Ca 0.04 -0.17 0.03 0.00 -0.56 0.00 0.00 56.30 55.64 3dhg h ASN 84 Cb 0.14 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.22 3dhg h ASN 84 CO -0.00 0.74 -0.15 -0.07 -1.06 0.00 0.00 177.43 176.88 3dhg h LEU 85 N 0.45 -0.46 0.13 1.61 3.38 -1.30 0.29 115.31 119.41 3dhg h LEU 85 Ca 0.07 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3dhg h LEU 85 Cb 0.66 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3dhg h LEU 85 CO 0.05 -0.21 -0.06 -0.03 0.09 0.00 0.00 178.44 178.28 3dhg h MET 86 N -0.23 -0.17 0.01 1.13 4.05 -0.99 -2.91 114.93 115.81 3dhg h MET 86 Ca 0.07 0.01 -0.20 0.00 -0.28 0.00 0.00 59.70 59.30 3dhg h MET 86 Cb 0.32 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 3dhg h MET 86 CO -0.18 -0.03 -0.89 1.96 0.23 0.00 0.00 176.91 178.00 3dhg h GLN 87 N -0.27 0.19 -0.81 0.39 1.08 -0.42 -2.14 115.11 113.13 3dhg h GLN 87 Ca -0.02 -0.22 0.07 0.00 -1.45 0.00 0.00 58.65 57.03 3dhg h GLN 87 Cb 0.22 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 3dhg h GLN 87 CO 0.03 0.96 0.53 0.22 -0.95 0.00 0.00 178.83 179.62 3dhg h ASP 88 N 0.10 0.77 0.19 1.46 3.58 -0.46 0.17 116.42 122.23 3dhg h ASP 88 Ca -0.05 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 3dhg h ASP 88 Cb 1.52 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.42 3dhg h ASP 88 CO 0.14 0.49 -0.09 1.23 -2.88 0.00 0.00 179.24 178.12 3dhg h GLY 89 N 0.87 -0.27 1.06 -0.78 0.00 -1.25 -1.15 103.07 101.55 3dhg h GLY 89 Ca 0.35 0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.69 3dhg h GLY 89 CO -0.12 -0.10 -0.00 1.46 0.00 0.00 0.00 176.54 177.78 3dhg h GLN 90 N -0.27 1.01 -0.00 4.80 1.08 -1.17 -1.82 115.11 118.74 3dhg h GLN 90 Ca -0.03 -0.32 -0.23 0.00 -1.45 0.00 0.00 58.65 56.62 3dhg h GLN 90 Cb 0.21 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3dhg h GLN 90 CO 0.04 1.01 -0.95 1.49 -0.95 0.00 0.00 178.83 179.47 3dhg h GLU 91 N 0.90 0.46 -0.86 1.46 4.57 -0.72 -1.42 114.58 118.98 3dhg h GLU 91 Ca 0.16 -0.50 -0.02 0.00 -1.18 0.00 0.00 59.36 57.83 3dhg h GLU 91 Cb 0.55 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 3dhg h GLU 91 CO 0.03 1.14 0.47 0.77 -1.18 0.00 0.00 179.01 180.24 3dhg h SER 92 N 0.26 1.07 -0.03 1.04 0.02 -1.22 0.29 113.55 114.99 3dhg h SER 92 Ca -0.09 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3dhg h SER 92 Cb 1.59 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 3dhg h SER 92 CO 0.17 0.86 -0.03 0.22 -1.14 0.00 0.00 176.83 176.91 3dhg h TYR 93 N 1.20 -0.08 -0.73 3.45 3.20 -1.15 0.06 116.97 122.91 3dhg h TYR 93 Ca 0.30 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 3dhg h TYR 93 Cb 0.03 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 3dhg h TYR 93 CO 0.01 -0.05 0.43 0.28 -1.64 0.00 0.00 178.16 177.18 3dhg h VAL 94 N -0.05 1.21 -0.62 1.81 2.07 -0.67 0.75 116.25 120.76 3dhg h VAL 94 Ca 0.03 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 3dhg h VAL 94 Cb 0.08 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3dhg h VAL 94 CO -0.06 0.23 0.15 1.56 0.02 0.00 0.00 177.57 179.46 3dhg h GLN 95 N 1.01 0.97 -0.74 1.57 1.08 -0.32 -0.12 115.11 118.56 3dhg h GLN 95 Ca 0.26 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 3dhg h GLN 95 Cb -0.01 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 3dhg h GLN 95 CO -0.05 0.87 0.21 0.77 -0.95 0.00 0.00 178.83 179.68 3dhg h SER 96 N 0.93 1.09 -0.23 1.46 0.02 -0.53 -1.69 113.55 114.60 3dhg h SER 96 Ca 0.20 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3dhg h SER 96 Cb 0.34 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3dhg h SER 96 CO 0.00 1.02 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.60 3dhg h LEU 97 N 1.10 -0.18 -0.01 5.07 3.38 -0.16 -0.07 115.31 124.45 3dhg h LEU 97 Ca 0.23 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.28 3dhg h LEU 97 Cb 0.34 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3dhg h LEU 97 CO -0.00 -0.06 -0.03 -0.26 0.09 0.00 0.00 178.44 178.18 3dhg h PHE 98 N 0.02 -0.06 0.17 1.13 0.05 -0.83 -0.22 116.94 117.19 3dhg h PHE 98 Ca 0.11 0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.92 3dhg h PHE 98 Cb 0.16 0.03 -0.04 0.00 2.00 0.00 0.00 35.95 38.10 3dhg h PHE 98 CO -0.22 -0.04 -0.45 0.22 -0.18 0.00 0.00 178.31 177.63 3dhg h ASP 99 N -0.04 -1.33 -0.53 2.17 3.58 -1.21 -0.02 116.42 119.03 3dhg h ASP 99 Ca 0.02 0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 3dhg h ASP 99 Cb 0.06 0.49 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 3dhg h ASP 99 CO -0.04 -0.53 0.07 -0.61 -2.88 0.00 0.00 179.24 175.26 3dhg h GLN 100 N -0.72 0.90 0.00 0.28 5.75 -0.83 -0.82 115.11 119.67 3dhg h GLN 100 Ca 0.00 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.18 3dhg h GLN 100 Cb 0.72 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 3dhg h GLN 100 CO -0.23 0.88 -0.33 0.74 -2.65 0.00 0.00 178.83 177.24 3dhg h PHE 101 N 0.78 0.00 -0.28 3.99 0.04 -0.98 -1.40 116.94 119.09 3dhg h PHE 101 Ca 0.16 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.82 3dhg h PHE 101 Cb 0.43 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 3dhg h PHE 101 CO 0.03 0.33 -0.25 -0.97 -0.60 0.00 0.00 178.31 176.86 3dhg h ASN 102 N 0.00 0.69 -0.51 2.17 -1.24 -0.55 -1.03 115.58 115.11 3dhg h ASN 102 Ca -0.00 -0.46 -0.00 0.00 0.71 0.00 0.00 56.30 56.54 3dhg h ASN 102 Cb 0.66 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.49 3dhg h ASN 102 CO 0.04 1.01 0.31 -0.33 -1.29 0.00 0.00 177.43 177.17 3dhg h GLU 103 N 0.39 0.71 -0.00 6.67 4.39 -0.74 -1.45 114.58 124.55 3dhg h GLU 103 Ca 0.05 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3dhg h GLU 103 Cb 0.81 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3dhg h GLU 103 CO 0.06 0.51 -0.01 0.54 -1.16 0.00 0.00 179.01 178.95 3dhg n ARG 104 N -4.42 0.75 -3.56 2.33 1.74 -0.57 -4.92 116.66 108.01 3dhg n ARG 104 Ca 0.05 -0.06 -0.26 0.00 -0.77 0.00 0.00 57.85 56.81 3dhg n ARG 104 Cb 0.08 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.08 -5.58 -0.28 5.56 1.02 -0.55 -4.91 120.64 114.82 3dhg n GLU 105 Ca 0.19 0.70 0.02 0.00 -0.02 0.00 0.00 57.16 58.04 3dhg n GLU 105 Cb 0.19 -5.59 0.09 0.00 -0.02 0.00 0.00 31.44 26.11 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 -1.89 -0.52 -0.00 -0.32 -0.00 -1.43 -1.61 115.15 109.38 3dhg h HIS 106 Ca -0.54 0.07 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 3dhg h HIS 106 Cb 1.36 0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 29.12 3dhg h HIS 106 CO 0.56 -0.36 0.00 -0.44 -0.00 0.00 0.00 177.93 177.70 3dhg h ASP 107 N -0.02 0.00 1.23 3.26 3.45 -1.91 0.15 116.42 122.58 3dhg h ASP 107 Ca 0.37 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.76 3dhg h ASP 107 Cb 0.59 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 3dhg h ASP 107 CO -0.83 0.00 -0.32 1.56 -1.57 0.00 0.00 179.24 178.08 3dhg h GLN 108 N 0.00 0.00 -0.00 3.56 4.20 -1.68 -3.26 115.11 117.94 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 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3dhg h GLN 108 CO -0.00 0.32 -0.06 -1.33 -0.67 0.00 0.00 178.83 177.09 3dhg n MET 109 N -3.31 0.42 -1.45 1.46 2.81 0.53 -4.92 117.12 112.65 3dhg n MET 109 Ca 0.01 -0.07 -0.31 0.00 -1.81 0.00 0.00 57.70 55.52 3dhg n MET 109 Cb 0.56 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.65 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 -2.63 3.56 0.62 2.03 -7.23 -1.21 -4.89 120.40 110.65 3dhg s VAL 110 Ca 0.25 0.51 -0.15 0.00 -1.81 0.00 0.00 61.98 60.78 3dhg s VAL 110 Cb 0.20 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 3dhg s VAL 110 CO 0.49 -0.66 1.08 -0.60 -0.31 0.00 0.00 175.10 175.10 3dhg s ARG 111 N -5.02 3.09 0.20 4.82 3.52 -0.25 -4.93 118.95 120.38 3dhg s ARG 111 Ca 0.60 1.27 -0.32 0.00 -0.13 0.00 0.00 55.73 57.14 3dhg s ARG 111 Cb -0.15 -2.00 -0.15 0.00 -1.56 0.00 0.00 34.95 31.09 3dhg s ARG 111 CO 0.55 -1.00 1.26 -1.91 -0.81 0.00 0.00 175.30 173.39 3dhg n GLU 112 N -2.24 1.52 0.00 5.12 4.07 -1.26 -1.94 120.64 125.91 3dhg n GLU 112 Ca 0.09 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.74 3dhg n GLU 112 Cb 0.53 -2.10 0.00 0.00 -0.06 0.00 0.00 31.44 29.80 3dhg n GLU 112 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dhg n GLY 113 N 2.07 2.64 0.29 8.31 0.00 -1.26 -4.90 105.19 112.34 3dhg n GLY 113 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 0.20 0.00 1.61 -0.00 -1.75 -0.14 115.95 115.86 3dhg h TRP 114 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.82 3dhg h TRP 114 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 29.08 3dhg h TRP 114 CO 0.00 0.12 -0.33 1.05 -0.00 0.00 0.00 178.44 179.27 3dhg h GLU 115 N 0.21 0.00 -0.05 2.65 9.09 -1.91 0.11 114.58 124.68 3dhg h GLU 115 Ca 0.09 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.35 3dhg h GLU 115 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 3dhg h GLU 115 CO -0.02 0.33 -0.63 0.45 0.05 0.00 0.00 179.01 179.19 3dhg h HIS 116 N 0.00 0.26 -0.18 2.06 3.86 -1.39 -1.16 115.15 118.60 3dhg h HIS 116 Ca -0.00 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.01 3dhg h HIS 116 Cb 0.61 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 3dhg h HIS 116 CO 0.00 0.78 -0.24 1.15 0.86 0.00 0.00 177.93 180.48 3dhg h THR 117 N 0.15 1.34 -0.63 2.45 2.02 -1.00 -2.26 112.91 114.98 3dhg h THR 117 Ca -0.01 -1.43 0.08 0.00 0.77 0.00 0.00 66.41 65.81 3dhg h THR 117 Cb 1.14 1.84 -0.06 0.00 -1.74 0.00 0.00 68.15 69.33 3dhg h THR 117 CO 0.10 0.43 0.30 0.24 0.37 0.00 0.00 175.52 176.96 3dhg h MET 118 N 0.14 0.52 -0.43 6.66 2.86 -0.80 0.21 114.93 124.08 3dhg h MET 118 Ca 0.02 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3dhg h MET 118 Cb 0.80 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 3dhg h MET 118 CO 0.06 0.34 0.13 0.00 1.06 0.00 0.00 176.91 178.50 3dhg h ALA 119 N 1.38 1.42 0.09 6.32 0.00 -1.05 -0.21 119.26 127.21 3dhg h ALA 119 Ca 0.30 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.73 3dhg h ALA 119 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dhg h ALA 119 CO -0.24 0.43 -1.82 -0.09 0.00 0.00 0.00 179.25 177.53 3dhg h ARG 120 N 0.63 0.19 0.00 0.00 2.43 -1.00 -3.40 114.38 113.23 3dhg h ARG 120 Ca 0.15 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3dhg h ARG 120 Cb 0.20 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3dhg h ARG 120 CO -0.01 0.99 -1.01 0.00 -1.51 0.00 0.00 179.97 178.43 3dhg n TYR 122 N -1.56 0.00 -0.03 0.00 4.19 -0.22 -4.72 117.16 114.83 3dhg n TYR 122 Ca -0.00 0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.20 3dhg n TYR 122 Cb 0.15 -0.49 0.29 0.00 0.49 0.00 0.00 39.34 39.78 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 -0.60 0.55 0.14 2.98 4.64 -1.42 -1.61 113.55 118.23 3dhg h SER 123 Ca -0.27 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3dhg h SER 123 Cb 1.09 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3dhg h SER 123 CO -0.16 0.58 0.00 -2.65 -0.87 0.00 0.00 176.83 173.73 3dhg n PRO 124 N -4.30 0.30 0.26 4.77 -0.02 -1.26 -2.78 135.00 131.97 3dhg n PRO 124 Ca 0.02 0.09 0.17 0.00 -2.02 0.00 0.00 63.50 61.76 3dhg n PRO 124 Cb 0.22 -1.50 0.84 0.00 -0.02 0.00 0.00 33.50 33.04 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 -1.52 2.45 3.38 -1.57 -1.79 115.31 116.26 3dhg h LEU 125 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3dhg h LEU 125 Cb 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3dhg h LEU 125 CO 0.00 0.00 0.50 0.08 0.09 0.00 0.00 178.44 179.11 3dhg h ARG 126 N 0.00 0.47 -0.29 1.13 0.11 -1.73 0.17 114.38 114.24 3dhg h ARG 126 Ca 0.00 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 59.99 3dhg h ARG 126 Cb 0.22 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 3dhg h ARG 126 CO 0.00 0.31 -0.07 1.88 0.10 0.00 0.00 179.97 182.20 3dhg h TYR 127 N 0.49 0.63 -0.44 4.08 0.05 -1.60 -1.28 116.97 118.91 3dhg h TYR 127 Ca 0.37 -0.14 -0.06 0.00 0.05 0.00 0.00 58.73 58.95 3dhg h TYR 127 Cb 0.74 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 3dhg h TYR 127 CO -0.00 0.76 0.04 1.25 -1.05 0.00 0.00 178.16 179.15 3dhg h LEU 128 N 0.33 0.73 -0.56 3.88 5.85 -1.44 -0.10 115.31 124.01 3dhg h LEU 128 Ca 0.07 -0.28 -0.15 0.00 0.84 0.00 0.00 57.88 58.36 3dhg h LEU 128 Cb 0.55 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3dhg h LEU 128 CO 0.03 0.83 -0.47 -0.26 -0.34 0.00 0.00 178.44 178.23 3dhg h PHE 129 N 0.61 0.76 -0.47 1.25 0.05 -0.74 -1.36 116.94 117.04 3dhg h PHE 129 Ca 0.13 -0.24 -0.10 0.00 3.82 0.00 0.00 57.97 61.58 3dhg h PHE 129 Cb 0.44 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 38.21 3dhg h PHE 129 CO 0.03 0.97 -0.10 1.25 -0.18 0.00 0.00 178.31 180.28 3dhg h HIS 130 N 0.50 0.94 -0.98 -0.55 2.76 -0.85 -1.24 115.15 115.73 3dhg h HIS 130 Ca 0.03 -0.18 0.03 0.00 -2.20 0.00 0.00 60.37 58.05 3dhg h HIS 130 Cb 1.00 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.67 3dhg h HIS 130 CO 0.05 0.90 0.64 0.00 -1.30 0.00 0.00 177.93 178.22 3dhg h LEU 132 N 1.27 0.53 0.09 0.00 3.38 -0.76 0.12 115.31 119.95 3dhg h LEU 132 Ca 0.38 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3dhg h LEU 132 Cb -0.05 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3dhg h LEU 132 CO -0.11 0.64 -0.05 -0.61 0.09 0.00 0.00 178.44 178.41 3dhg h GLN 133 N 0.53 -0.12 -0.62 1.13 4.15 -0.38 -0.80 115.11 119.00 3dhg h GLN 133 Ca 0.11 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3dhg h GLN 133 Cb 0.41 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 3dhg h GLN 133 CO 0.02 0.15 0.41 0.52 -1.93 0.00 0.00 178.83 178.00 3dhg h MET 134 N -0.40 0.83 -0.58 1.69 2.86 -0.63 -1.86 114.93 116.84 3dhg h MET 134 Ca -0.01 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3dhg h MET 134 Cb 0.33 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3dhg h MET 134 CO 0.02 0.56 0.14 1.03 1.06 0.00 0.00 176.91 179.72 3dhg h SER 135 N 0.85 0.88 -0.42 1.22 0.87 -0.92 -2.18 113.55 113.84 3dhg h SER 135 Ca 0.23 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3dhg h SER 135 Cb -0.08 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.62 3dhg h SER 135 CO -0.05 0.88 0.06 0.28 -0.53 0.00 0.00 176.83 177.48 3dhg h SER 136 N 0.84 0.73 -1.01 6.23 0.02 -0.98 -1.58 113.55 117.81 3dhg h SER 136 Ca 0.18 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3dhg h SER 136 Cb 0.35 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 3dhg h SER 136 CO 0.00 0.76 0.67 0.00 -1.14 0.00 0.00 176.83 177.12 3dhg h ALA 137 N 1.33 1.30 -0.18 3.77 0.00 -1.18 -0.19 119.26 124.11 3dhg h ALA 137 Ca 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3dhg h ALA 137 Cb 0.36 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dhg h ALA 137 CO 0.01 0.63 -0.20 -0.92 0.00 0.00 0.00 179.25 178.77 3dhg h TYR 138 N 1.34 0.55 -0.81 0.00 5.03 -0.67 -2.43 116.97 119.99 3dhg h TYR 138 Ca 0.38 -0.17 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 3dhg h TYR 138 Cb -0.10 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.03 3dhg h TYR 138 CO -0.00 0.83 0.42 0.28 -1.32 0.00 0.00 178.16 178.37 3dhg h VAL 139 N 0.11 1.25 -0.46 1.81 2.07 -1.19 -2.14 116.25 117.71 3dhg h VAL 139 Ca 0.03 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 66.98 3dhg h VAL 139 Cb 0.75 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.61 3dhg h VAL 139 CO 0.05 0.29 -0.26 -0.61 0.02 0.00 0.00 177.57 177.06 3dhg h GLN 140 N 1.13 -0.16 0.00 1.57 -0.00 -0.90 -1.15 115.11 115.61 3dhg h GLN 140 Ca 0.28 0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.83 3dhg h GLN 140 Cb 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.57 3dhg h GLN 140 CO -0.04 -0.10 -0.54 -0.56 0.00 0.00 0.00 178.83 177.58 3dhg h GLN 141 N -0.16 0.00 0.00 1.69 3.07 -0.95 -3.25 115.11 115.51 3dhg h GLN 141 Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.88 3dhg h GLN 141 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 3dhg h GLN 141 CO -0.55 0.54 -1.32 -1.33 0.09 0.00 0.00 178.83 176.27 3dhg n MET 142 N -3.48 0.62 -1.85 0.06 2.81 -0.85 -5.00 117.12 109.44 3dhg n MET 142 Ca 0.00 0.11 -0.40 0.00 -1.81 0.00 0.00 57.70 55.60 3dhg n MET 142 Cb 0.65 -1.77 0.01 0.00 -0.71 0.00 0.00 33.22 31.40 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 -3.22 3.22 -1.23 3.04 0.00 -0.45 -4.76 121.76 118.35 3dhg s ALA 143 Ca -0.03 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.38 3dhg s ALA 143 Cb 0.10 -3.57 0.19 0.00 0.00 0.00 0.00 23.12 19.85 3dhg s ALA 143 CO 0.81 -1.12 0.93 -0.35 0.00 0.00 0.00 175.76 176.03 3dhg n PRO 144 N -0.18 1.80 -3.78 0.00 -0.04 -1.26 -4.77 135.00 126.77 3dhg n PRO 144 Ca 0.05 -0.76 -0.13 0.00 -0.04 0.00 0.00 63.50 62.63 3dhg n PRO 144 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.56 -0.67 0.36 0.55 0.00 -1.26 -4.49 121.76 114.69 3dhg s ALA 145 Ca 0.13 0.76 0.04 0.00 0.00 0.00 0.00 51.96 52.90 3dhg s ALA 145 Cb 0.09 -0.44 0.70 0.00 0.00 0.00 0.00 23.12 23.47 3dhg s ALA 145 CO 0.06 -0.13 1.99 0.66 0.00 0.00 0.00 175.76 178.33 3dhg h SER 146 N 5.70 0.68 -0.31 0.00 4.64 -1.86 -1.26 113.55 121.14 3dhg h SER 146 Ca -0.26 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 3dhg h SER 146 Cb 1.19 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 3dhg h SER 146 CO 0.34 0.47 -0.04 0.71 -0.87 0.00 0.00 176.83 177.43 3dhg h THR 147 N 0.79 1.24 0.02 2.95 1.35 -1.86 -0.59 112.91 116.81 3dhg h THR 147 Ca 0.27 -1.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3dhg h THR 147 Cb 0.09 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3dhg h THR 147 CO -0.08 0.34 -0.01 0.40 -0.25 0.00 0.00 175.52 175.93 3dhg h ILE 148 N 0.64 1.21 -0.99 6.82 2.04 -1.73 -3.12 117.51 122.38 3dhg h ILE 148 Ca 0.12 -0.72 0.08 0.00 1.00 0.00 0.00 64.86 65.34 3dhg h ILE 148 Cb 0.46 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 3dhg h ILE 148 CO 0.02 0.19 0.63 0.28 0.00 0.00 0.00 178.15 179.27 3dhg h SER 149 N -0.34 0.99 -0.46 1.72 0.02 -1.06 -2.20 113.55 112.22 3dhg h SER 149 Ca -0.00 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3dhg h SER 149 Cb 0.32 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 3dhg h SER 149 CO 0.00 0.60 0.29 0.78 -1.14 0.00 0.00 176.83 177.36 3dhg h ASN 150 N 1.11 0.48 -0.74 3.07 -0.26 -1.15 0.48 115.58 118.56 3dhg h ASN 150 Ca 0.45 -0.00 0.11 0.00 -0.56 0.00 0.00 56.30 56.29 3dhg h ASN 150 Cb 0.26 -0.11 -0.08 0.00 -1.06 0.00 0.00 38.32 37.33 3dhg h ASN 150 CO -0.20 0.35 0.36 0.00 -1.06 0.00 0.00 177.43 176.88 3dhg h ILE 153 N 0.79 0.41 -0.20 0.00 2.04 0.32 0.62 117.51 121.49 3dhg h ILE 153 Ca 0.13 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 3dhg h ILE 153 Cb 0.62 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3dhg h ILE 153 CO 0.04 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 178.03 3dhg h LEU 154 N -0.47 0.30 -0.84 1.44 3.38 -1.32 -1.72 115.31 116.08 3dhg h LEU 154 Ca 0.03 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3dhg h LEU 154 Cb 0.50 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3dhg h LEU 154 CO -0.16 0.43 -0.32 -0.61 0.09 0.00 0.00 178.44 177.87 3dhg h GLN 155 N 0.31 0.49 -0.23 1.13 4.15 -1.07 -1.11 115.11 118.77 3dhg h GLN 155 Ca 0.06 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 3dhg h GLN 155 Cb 0.36 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3dhg h GLN 155 CO 0.02 0.75 0.03 1.15 -1.93 0.00 0.00 178.83 178.85 3dhg h THR 156 N 0.42 1.23 -0.69 2.39 2.02 -0.01 -0.14 112.91 118.12 3dhg h THR 156 Ca 0.05 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.46 3dhg h THR 156 Cb 0.77 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3dhg h THR 156 CO 0.06 0.25 0.45 0.00 0.37 0.00 0.00 175.52 176.65 3dhg h ALA 157 N 0.84 0.89 -0.25 6.16 0.00 -1.26 -1.83 119.26 123.81 3dhg h ALA 157 Ca 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dhg h ALA 157 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dhg h ALA 157 CO 0.01 0.26 -0.09 -0.44 0.00 0.00 0.00 179.25 178.99 3dhg h ASP 158 N 0.90 0.38 -0.27 0.00 3.45 -0.91 0.89 116.42 120.86 3dhg h ASP 158 Ca 0.26 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.61 3dhg h ASP 158 Cb -0.06 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 3dhg h ASP 158 CO -0.08 0.52 0.04 0.28 -1.57 0.00 0.00 179.24 178.43 3dhg h SER 159 N 0.38 0.43 -0.83 6.45 0.02 -0.37 -1.60 113.55 118.03 3dhg h SER 159 Ca 0.08 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 3dhg h SER 159 Cb 0.40 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 3dhg h SER 159 CO 0.02 0.58 0.54 0.25 -1.14 0.00 0.00 176.83 177.08 3dhg h LEU 160 N 0.26 0.90 -0.62 5.07 5.85 -0.98 -1.33 115.31 124.46 3dhg h LEU 160 Ca 0.08 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.92 3dhg h LEU 160 Cb 0.34 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.05 3dhg h LEU 160 CO 0.01 0.62 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.52 3dhg h ARG 161 N 1.06 0.02 -0.26 1.25 2.43 -0.40 0.10 114.38 118.58 3dhg h ARG 161 Ca 0.33 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.33 3dhg h ARG 161 Cb -0.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3dhg h ARG 161 CO -0.11 0.01 -0.51 -1.49 -1.51 0.00 0.00 179.97 176.37 3dhg h TRP 162 N 0.02 0.93 -0.33 2.20 6.55 -0.83 -1.39 115.95 123.10 3dhg h TRP 162 Ca 0.30 -0.32 0.06 0.00 0.95 0.00 0.00 58.89 59.89 3dhg h TRP 162 Cb 0.47 -0.18 -0.06 0.00 -0.86 0.00 0.00 29.16 28.54 3dhg h TRP 162 CO -0.47 1.10 -0.04 1.25 -1.05 0.00 0.00 178.44 179.23 3dhg h LEU 163 N 0.58 -0.21 -0.52 -4.49 5.85 -0.87 -2.21 115.31 113.43 3dhg h LEU 163 Ca 0.02 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3dhg h LEU 163 Cb 1.09 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3dhg h LEU 163 CO 0.11 -0.07 0.18 0.74 -0.34 0.00 0.00 178.44 179.06 3dhg h THR 164 N 0.05 1.23 -0.57 1.05 2.02 -0.49 -0.25 112.91 115.95 3dhg h THR 164 Ca 0.16 -0.74 0.10 0.00 0.77 0.00 0.00 66.41 66.70 3dhg h THR 164 Cb 0.23 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.29 3dhg h THR 164 CO -0.30 0.28 0.14 0.45 0.37 0.00 0.00 175.52 176.46 3dhg h HIS 165 N 0.71 0.23 -0.39 3.16 3.86 -1.18 0.24 115.15 121.78 3dhg h HIS 165 Ca 0.17 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 3dhg h HIS 165 Cb 0.25 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3dhg h HIS 165 CO 0.01 0.01 -0.03 1.15 0.86 0.00 0.00 177.93 179.93 3dhg h THR 166 N 0.28 1.27 0.18 2.45 2.02 -0.83 0.14 112.91 118.41 3dhg h THR 166 Ca 0.29 -1.06 0.01 0.00 0.77 0.00 0.00 66.41 66.42 3dhg h THR 166 Cb 0.41 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3dhg h THR 166 CO -0.36 0.36 -0.22 0.00 0.37 0.00 0.00 175.52 175.68 3dhg h ALA 167 N 0.87 -0.41 -0.20 6.16 0.00 -0.81 0.32 119.26 125.18 3dhg h ALA 167 Ca 0.11 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3dhg h ALA 167 Cb 0.52 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3dhg h ALA 167 CO 0.03 -0.76 0.03 -0.92 0.00 0.00 0.00 179.25 177.62 3dhg h TYR 168 N -0.44 0.05 0.00 0.00 3.20 -0.79 -2.04 116.97 116.96 3dhg h TYR 168 Ca 0.01 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 3dhg h TYR 168 Cb 0.43 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 3dhg h TYR 168 CO -0.17 0.01 -0.52 0.00 -1.64 0.00 0.00 178.16 175.83 3dhg h ARG 169 N 0.11 0.00 0.13 1.82 2.47 -0.91 -0.28 114.38 117.72 3dhg h ARG 169 Ca 0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 3dhg h ARG 169 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3dhg h ARG 169 CO -0.13 0.52 -0.06 1.15 0.56 0.00 0.00 179.97 182.01 3dhg h THR 170 N 0.00 0.93 -0.08 2.04 2.02 -0.72 0.17 112.91 117.27 3dhg h THR 170 Ca -0.01 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.93 3dhg h THR 170 Cb 0.97 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 3dhg h THR 170 CO 0.07 0.06 0.01 -0.74 0.37 0.00 0.00 175.52 175.29 3dhg h HIS 171 N -0.30 0.02 -0.72 3.16 -0.00 -1.22 -2.39 115.15 113.71 3dhg h HIS 171 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 3dhg h HIS 171 Cb 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.62 3dhg h HIS 171 CO -0.03 0.01 0.40 1.49 -0.00 0.00 0.00 177.93 179.80 3dhg h GLU 172 N 0.05 1.00 -0.57 5.26 4.81 -1.00 -2.27 114.58 121.85 3dhg h GLU 172 Ca 0.03 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3dhg h GLU 172 Cb 0.03 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3dhg h GLU 172 CO -0.05 0.74 0.10 1.25 -0.73 0.00 0.00 179.01 180.33 3dhg h LEU 173 N 0.99 0.86 -2.54 1.64 5.85 -0.92 -2.73 115.31 118.47 3dhg h LEU 173 Ca 0.25 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3dhg h LEU 173 Cb 0.02 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 3dhg h LEU 173 CO -0.04 0.86 -0.00 0.77 -0.34 0.00 0.00 178.44 179.69 3dhg h SER 174 N 0.87 0.00 -0.20 1.25 4.64 -0.87 -0.44 113.55 118.80 3dhg h SER 174 Ca 0.18 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 3dhg h SER 174 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3dhg h SER 174 CO 0.01 0.00 -0.14 -0.07 -0.87 0.00 0.00 176.83 175.76 3dhg h LEU 175 N 0.00 0.47 -0.27 5.97 3.38 -1.40 -0.67 115.31 122.78 3dhg h LEU 175 Ca -0.00 -0.44 -0.21 0.00 0.09 0.00 0.00 57.88 57.32 3dhg h LEU 175 Cb 0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3dhg h LEU 175 CO 0.00 0.81 -0.77 0.74 0.09 0.00 0.00 178.44 179.30 3dhg h THR 176 N 0.13 1.33 -2.79 0.22 2.02 -1.50 -3.40 112.91 108.91 3dhg h THR 176 Ca 0.04 -2.08 -0.61 0.00 0.77 0.00 0.00 66.41 64.52 3dhg h THR 176 Cb 0.65 2.08 -0.41 0.00 -1.74 0.00 0.00 68.15 68.72 3dhg h THR 176 CO 0.04 0.64 -0.63 -1.22 0.37 0.00 0.00 175.52 174.72 3dhg n TYR 177 N -3.88 2.80 0.86 3.16 4.02 -0.23 -4.95 117.16 118.94 3dhg n TYR 177 Ca -0.06 -4.16 0.12 0.00 -0.01 0.00 0.00 57.90 53.79 3dhg n TYR 177 Cb 0.74 -0.51 0.53 0.00 -0.02 0.00 0.00 39.34 40.08 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 1.80 0.01 -0.91 -0.72 -0.04 -0.27 -3.29 135.00 131.59 3dhg n PRO 178 Ca 0.23 0.08 -0.00 0.00 -0.04 0.00 0.00 63.50 63.77 3dhg n PRO 178 Cb 0.38 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.49 4.91 -0.73 3.54 8.00 -1.26 -4.49 116.55 125.03 3dhg n ASP 179 Ca 0.06 -3.14 0.09 0.00 0.71 0.00 0.00 54.79 52.52 3dhg n ASP 179 Cb 0.28 -0.70 0.07 0.00 -0.02 0.00 0.00 41.12 40.76 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 -0.01 2.53 -1.00 2.24 0.00 -1.21 -4.96 120.51 118.10 3dhg n ALA 180 Ca 0.34 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3dhg n ALA 180 Cb 1.26 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 1.07 0.55 3.61 0.00 0.00 -1.26 -4.84 105.19 104.31 3dhg n GLY 181 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 3.59 0.00 0.99 1.43 -1.26 -1.57 118.68 121.87 3dhg s LEU 182 Ca 0.00 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 3dhg s LEU 182 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 3dhg s LEU 182 CO 0.00 -1.62 0.00 0.61 0.23 0.00 0.00 176.35 175.57 3dhg n GLY 183 N 5.29 0.71 0.00 -3.19 0.00 -1.26 -4.75 105.19 101.99 3dhg n GLY 183 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.05 2.04 -0.04 1.61 -0.58 -0.61 -4.90 120.64 116.12 3dhg n GLU 184 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 3dhg n GLU 184 Cb 0.00 -0.83 0.04 0.00 -0.57 0.00 0.00 31.44 30.08 3dhg n GLU 184 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3dhg n HIS 185 N -1.00 0.09 -0.23 -0.32 8.25 -0.99 -4.72 115.22 116.31 3dhg n HIS 185 Ca 0.00 -0.23 -0.04 0.00 -0.26 0.00 0.00 57.72 57.19 3dhg n HIS 185 Cb 0.01 -0.02 0.14 0.00 1.12 0.00 0.00 29.99 31.24 3dhg n HIS 185 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3dhg h GLU 186 N 0.92 1.04 -0.15 -0.41 3.07 -1.89 -1.73 114.58 115.44 3dhg h GLU 186 Ca 0.00 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 3dhg h GLU 186 Cb 0.39 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3dhg h GLU 186 CO 0.00 0.84 0.06 -0.09 -1.40 0.00 0.00 179.01 178.42 3dhg h ARG 187 N 1.03 0.22 -0.66 2.33 2.43 -1.96 -0.19 114.38 117.57 3dhg h ARG 187 Ca 0.24 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3dhg h ARG 187 Cb 0.17 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3dhg h ARG 187 CO -0.02 0.30 0.41 1.49 -1.51 0.00 0.00 179.97 180.64 3dhg h GLU 188 N 0.09 0.88 0.10 0.20 4.81 -1.83 -0.79 114.58 118.05 3dhg h GLU 188 Ca 0.05 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3dhg h GLU 188 Cb 0.16 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3dhg h GLU 188 CO -0.00 0.60 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.75 3dhg h LEU 189 N 0.90 -0.12 -0.76 1.64 3.38 -1.04 0.41 115.31 119.72 3dhg h LEU 189 Ca 0.24 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 58.05 3dhg h LEU 189 Cb -0.07 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 3dhg h LEU 189 CO -0.05 0.23 0.33 -0.25 0.09 0.00 0.00 178.44 178.79 3dhg h TRP 190 N -0.49 0.57 0.00 1.13 2.91 -0.87 0.13 115.95 119.34 3dhg h TRP 190 Ca -0.01 0.03 -0.19 0.00 1.13 0.00 0.00 58.89 59.85 3dhg h TRP 190 Cb 0.40 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 3dhg h TRP 190 CO 0.04 0.11 -0.89 0.93 -1.03 0.00 0.00 178.44 177.60 3dhg h GLU 191 N 0.49 0.00 0.00 2.65 5.08 -1.02 -3.42 114.58 118.36 3dhg h GLU 191 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3dhg h GLU 191 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3dhg h GLU 191 CO -0.37 0.89 -0.70 1.63 -1.00 0.00 0.00 179.01 179.45 3dhg n LYS 192 N -3.44 2.69 -2.15 2.33 5.02 0.12 -5.01 118.16 117.72 3dhg n LYS 192 Ca -0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3dhg n LYS 192 Cb 0.85 -0.85 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3dhg n LYS 192 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3dhg s GLU 193 N -1.67 4.26 0.34 1.97 2.56 0.01 -4.91 118.70 121.26 3dhg s GLU 193 Ca 0.00 2.05 0.08 0.00 0.00 0.00 0.00 54.97 57.10 3dhg s GLU 193 Cb 0.00 -3.57 0.78 0.00 2.00 0.00 0.00 34.13 33.34 3dhg s GLU 193 CO 0.00 -0.61 1.85 -1.35 -0.56 0.00 0.00 175.26 174.59 3dhg h PRO 194 N 7.92 0.72 0.00 4.30 0.11 -1.96 -1.58 132.00 141.50 3dhg h PRO 194 Ca -0.39 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3dhg h PRO 194 Cb 1.18 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3dhg h PRO 194 CO 0.91 0.47 -0.02 0.78 -0.21 0.00 0.00 178.00 179.94 3dhg h GLY 195 N 0.74 0.00 0.90 -0.55 0.00 -1.91 -0.86 103.07 101.38 3dhg h GLY 195 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3dhg h GLY 195 CO -0.23 0.00 -0.66 0.79 0.00 0.00 0.00 176.54 176.44 3dhg n TRP 196 N -3.43 0.16 0.07 5.60 7.02 -0.60 -2.92 117.44 123.34 3dhg n TRP 196 Ca -0.03 0.05 -0.07 0.00 -1.02 0.00 0.00 57.50 56.43 3dhg n TRP 196 Cb 0.11 -0.35 0.08 0.00 -2.42 0.00 0.00 31.31 28.73 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 0.29 -0.21 -0.99 1.08 -1.08 -0.94 115.11 113.26 3dhg h GLN 197 Ca 0.00 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 56.99 3dhg h GLN 197 Cb 0.59 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 3dhg h GLN 197 CO 0.00 0.85 0.12 0.78 -0.95 0.00 0.00 178.83 179.63 3dhg h GLY 198 N 1.45 0.29 0.95 3.46 0.00 -1.81 -0.20 103.07 107.21 3dhg h GLY 198 Ca -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3dhg h GLY 198 CO 0.11 0.08 0.17 1.41 0.00 0.00 0.00 176.54 178.31 3dhg h LEU 199 N 0.25 0.61 -0.33 3.11 3.38 -1.70 -0.34 115.31 120.28 3dhg h LEU 199 Ca 0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3dhg h LEU 199 Cb -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3dhg h LEU 199 CO -0.04 0.62 0.00 -0.09 0.09 0.00 0.00 178.44 179.02 3dhg h ARG 200 N 0.56 0.59 -0.14 1.13 2.43 -1.03 -0.22 114.38 117.69 3dhg h ARG 200 Ca 0.14 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3dhg h ARG 200 Cb 0.21 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3dhg h ARG 200 CO -0.01 0.71 0.09 1.49 -1.51 0.00 0.00 179.97 180.74 3dhg h GLU 201 N 0.39 0.19 -0.37 0.20 4.81 -0.98 0.61 114.58 119.43 3dhg h GLU 201 Ca 0.09 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3dhg h GLU 201 Cb 0.44 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.70 3dhg h GLU 201 CO 0.02 0.14 -0.26 1.25 -0.73 0.00 0.00 179.01 179.43 3dhg h LEU 202 N 0.18 -0.87 -0.38 1.64 5.85 -0.86 -1.24 115.31 119.63 3dhg h LEU 202 Ca 0.05 0.17 -0.17 0.00 0.84 0.00 0.00 57.88 58.77 3dhg h LEU 202 Cb -0.00 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 3dhg h LEU 202 CO -0.01 -0.28 -0.51 0.24 -0.34 0.00 0.00 178.44 177.54 3dhg h MET 203 N -0.21 0.82 -0.61 1.25 2.86 -0.76 0.13 114.93 118.41 3dhg h MET 203 Ca 0.18 -0.49 0.01 0.00 -2.06 0.00 0.00 59.70 57.34 3dhg h MET 203 Cb 0.49 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 3dhg h MET 203 CO -0.49 1.13 0.39 0.93 1.06 0.00 0.00 176.91 179.93 3dhg h GLU 204 N 0.64 0.77 -0.49 1.72 5.08 -0.68 -0.12 114.58 121.50 3dhg h GLU 204 Ca 0.02 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 3dhg h GLU 204 Cb 1.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3dhg h GLU 204 CO 0.11 0.51 -0.12 0.87 -1.00 0.00 0.00 179.01 179.38 3dhg h LYS 205 N 0.79 0.94 -0.67 2.33 1.57 -1.13 -3.16 116.57 117.24 3dhg h LYS 205 Ca 0.23 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3dhg h LYS 205 Cb -0.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3dhg h LYS 205 CO -0.07 1.02 0.25 0.37 -0.57 0.00 0.00 179.45 180.46 3dhg h GLN 206 N 0.80 1.02 0.00 3.15 -0.00 -0.43 -2.62 115.11 117.02 3dhg h GLN 206 Ca 0.12 -0.20 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 3dhg h GLN 206 Cb 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.00 3dhg h GLN 206 CO 0.05 0.86 0.00 1.28 0.00 0.00 0.00 178.83 181.02 3dhg n LEU 207 N -4.37 0.00 -0.11 -2.39 4.77 -0.08 -2.18 117.00 112.63 3dhg n LEU 207 Ca 0.05 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.48 3dhg n LEU 207 Cb 0.19 -0.37 0.13 0.00 -2.33 0.00 0.00 43.42 41.04 3dhg n LEU 207 CO 0.40 -0.21 0.57 0.35 -1.33 0.00 0.00 177.39 177.16 3dhg n THR 208 N -1.37 1.78 -2.81 -5.08 -2.24 -1.01 -4.85 114.28 98.70 3dhg n THR 208 Ca 0.05 -2.06 -0.43 0.00 -2.27 0.00 0.00 64.05 59.34 3dhg n THR 208 Cb 0.12 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.60 3.06 -0.43 6.98 0.00 -0.93 -4.92 121.76 122.92 3dhg s ALA 209 Ca 0.28 -1.79 0.23 0.00 0.00 0.00 0.00 51.96 50.69 3dhg s ALA 209 Cb 0.24 -3.93 0.20 0.00 0.00 0.00 0.00 23.12 19.63 3dhg s ALA 209 CO 0.03 -2.86 1.24 0.74 0.00 0.00 0.00 175.76 174.91 3dhg h PHE 210 N 9.63 0.00 -2.67 0.00 0.05 -1.88 -3.38 116.94 118.68 3dhg h PHE 210 Ca -0.28 0.00 -0.52 0.00 3.82 0.00 0.00 57.97 60.99 3dhg h PHE 210 Cb 1.07 0.00 0.05 0.00 2.00 0.00 0.00 35.95 39.07 3dhg h PHE 210 CO 1.00 0.00 1.00 0.34 -0.18 0.00 0.00 178.31 180.47 3dhg s ASP 211 N -5.00 6.44 0.24 2.17 2.15 -1.26 -4.84 116.67 116.58 3dhg s ASP 211 Ca 0.03 2.77 -0.04 0.00 0.43 0.00 0.00 52.55 55.74 3dhg s ASP 211 Cb 0.11 -2.59 0.40 0.00 -0.30 0.00 0.00 42.92 40.54 3dhg s ASP 211 CO 0.74 -0.94 1.80 4.11 -0.17 0.00 0.00 175.17 180.71 3dhg h TRP 212 N 7.25 0.81 -0.04 -5.34 5.08 -1.55 0.20 115.95 122.37 3dhg h TRP 212 Ca -0.43 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.56 3dhg h TRP 212 Cb 1.20 -0.24 -0.00 0.00 -3.00 0.00 0.00 29.16 27.12 3dhg h TRP 212 CO 0.68 0.31 -0.00 0.78 -1.28 0.00 0.00 178.44 178.93 3dhg h GLY 213 N 0.74 0.07 1.07 11.11 0.00 -1.90 0.03 103.07 114.19 3dhg h GLY 213 Ca 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 3dhg h GLY 213 CO -0.26 0.05 0.56 -2.09 0.00 0.00 0.00 176.54 174.79 3dhg h GLU 214 N -0.25 1.23 -0.39 4.80 4.81 -1.86 -1.24 114.58 121.68 3dhg h GLU 214 Ca 0.01 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3dhg h GLU 214 Cb 0.34 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3dhg h GLU 214 CO 0.00 0.86 0.19 0.00 -0.73 0.00 0.00 179.01 179.33 3dhg h ALA 215 N 1.36 0.51 0.17 2.92 0.00 -0.40 0.89 119.26 124.70 3dhg h ALA 215 Ca 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3dhg h ALA 215 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3dhg h ALA 215 CO -0.06 0.07 -0.08 0.35 0.00 0.00 0.00 179.25 179.53 3dhg h PHE 216 N 0.49 -0.21 -0.18 0.00 3.57 -0.72 -0.79 116.94 119.10 3dhg h PHE 216 Ca 0.13 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3dhg h PHE 216 Cb 0.12 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3dhg h PHE 216 CO -0.01 -0.04 0.03 0.28 -2.23 0.00 0.00 178.31 176.34 3dhg h VAL 217 N -0.34 1.22 -0.39 1.41 2.07 -1.16 0.23 116.25 119.29 3dhg h VAL 217 Ca -0.02 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3dhg h VAL 217 Cb 0.26 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3dhg h VAL 217 CO 0.04 0.22 0.18 0.77 0.02 0.00 0.00 177.57 178.80 3dhg h SER 218 N 0.10 0.52 0.18 0.57 4.64 -0.84 -0.33 113.55 118.38 3dhg h SER 218 Ca 0.06 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3dhg h SER 218 Cb 0.30 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3dhg h SER 218 CO 0.00 0.51 -0.09 0.25 -0.87 0.00 0.00 176.83 176.63 3dhg h LEU 219 N 0.50 -0.21 0.00 5.97 5.85 -1.04 -0.72 115.31 125.66 3dhg h LEU 219 Ca 0.13 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 3dhg h LEU 219 Cb 0.13 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3dhg h LEU 219 CO -0.02 0.21 -1.44 0.59 -0.34 0.00 0.00 178.44 177.45 3dhg n ASN 220 N -5.01 0.51 -0.00 1.25 4.13 0.80 -1.18 115.26 115.75 3dhg n ASN 220 Ca -0.09 0.20 0.08 0.00 1.68 0.00 0.00 54.58 56.45 3dhg n ASN 220 Cb 0.25 1.04 -0.10 0.00 -1.54 0.00 0.00 39.78 39.43 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 -2.53 0.70 0.05 3.41 4.77 -0.15 -4.48 117.00 118.78 3dhg n LEU 221 Ca -0.03 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3dhg n LEU 221 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3dhg n LEU 221 CO 0.43 0.18 0.00 0.52 -1.33 0.00 0.00 177.39 177.18 3dhg n VAL 222 N -1.49 0.28 0.23 4.08 0.31 -1.14 -4.76 118.33 115.85 3dhg n VAL 222 Ca 0.02 0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 64.29 3dhg n VAL 222 Cb 0.29 -0.73 -0.08 0.00 -0.91 0.00 0.00 33.84 32.41 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 0.53 -0.57 2.52 2.07 -1.14 -2.45 116.25 117.21 3dhg h VAL 223 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3dhg h VAL 223 Cb 0.00 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3dhg h VAL 223 CO 0.00 0.00 -0.04 0.11 0.02 0.00 0.00 177.57 177.66 3dhg h LYS 224 N -0.58 1.02 -0.10 1.57 1.57 -1.38 -1.30 116.57 117.37 3dhg h LYS 224 Ca -0.05 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.32 3dhg h LYS 224 Cb 0.47 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3dhg h LYS 224 CO 0.06 1.03 -0.31 -1.35 -0.57 0.00 0.00 179.45 178.30 3dhg h PRO 225 N 0.93 0.18 -0.59 3.15 0.11 -1.78 -2.45 132.00 131.55 3dhg h PRO 225 Ca 0.16 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 3dhg h PRO 225 Cb 0.59 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 3dhg h PRO 225 CO 0.04 0.48 0.17 1.98 -0.21 0.00 0.00 178.00 180.45 3dhg h MET 226 N 0.16 0.89 -0.53 1.05 1.85 -0.90 -2.23 114.93 115.21 3dhg h MET 226 Ca 0.02 -0.17 -0.05 0.00 -0.61 0.00 0.00 59.70 58.89 3dhg h MET 226 Cb 0.63 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 3dhg h MET 226 CO 0.05 0.78 0.13 0.82 -0.40 0.00 0.00 176.91 178.29 3dhg h ILE 227 N 0.86 1.24 -0.00 1.77 2.04 -1.03 0.10 117.51 122.49 3dhg h ILE 227 Ca 0.19 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.22 3dhg h ILE 227 Cb 0.27 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3dhg h ILE 227 CO -0.01 0.31 -0.13 0.58 0.00 0.00 0.00 178.15 178.91 3dhg h VAL 228 N 0.74 0.68 0.00 1.67 2.07 -1.25 -0.53 116.25 119.64 3dhg h VAL 228 Ca 0.17 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.52 3dhg h VAL 228 Cb 0.33 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3dhg h VAL 228 CO 0.00 0.00 -0.88 -0.33 0.02 0.00 0.00 177.57 176.38 3dhg h GLU 229 N -0.21 0.00 0.00 1.57 4.39 -1.24 -2.36 114.58 116.73 3dhg h GLU 229 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3dhg h GLU 229 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3dhg h GLU 229 CO -0.13 0.71 -0.46 0.43 -1.16 0.00 0.00 179.01 178.40 3dhg n SER 230 N -3.24 1.19 0.01 1.42 7.64 0.34 -4.37 113.62 116.61 3dhg n SER 230 Ca -0.01 -0.44 -0.02 0.00 1.01 0.00 0.00 58.87 59.41 3dhg n SER 230 Cb 0.86 1.05 -0.01 0.00 -1.01 0.00 0.00 64.21 65.10 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 -1.24 1.17 -0.02 0.44 5.41 -0.44 -4.66 119.36 120.02 3dhg n ILE 231 Ca 0.00 0.32 -0.12 0.00 1.00 0.00 0.00 62.75 63.96 3dhg n ILE 231 Cb 0.08 -1.71 -0.07 0.00 -0.71 0.00 0.00 39.64 37.23 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 -0.22 0.15 -0.16 1.39 0.05 -1.21 -2.02 116.94 114.92 3dhg h PHE 232 Ca 0.00 -0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.71 3dhg h PHE 232 Cb 0.22 -0.04 -0.00 0.00 2.00 0.00 0.00 35.95 38.12 3dhg h PHE 232 CO -0.09 0.36 -0.14 0.87 -0.18 0.00 0.00 178.31 179.13 3dhg h LYS 233 N -0.11 0.38 -0.33 1.51 1.57 -1.66 -2.24 116.57 115.68 3dhg h LYS 233 Ca 0.02 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3dhg h LYS 233 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3dhg h LYS 233 CO 0.00 0.74 0.03 -1.35 -0.57 0.00 0.00 179.45 178.31 3dhg h PRO 234 N 0.02 0.50 -0.53 3.15 0.11 -1.76 -2.24 132.00 131.25 3dhg h PRO 234 Ca 0.03 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3dhg h PRO 234 Cb 0.67 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 3dhg h PRO 234 CO 0.04 0.51 0.34 1.25 -0.21 0.00 0.00 178.00 179.92 3dhg h LEU 235 N 0.49 0.61 -0.69 2.35 5.85 -1.31 0.10 115.31 122.71 3dhg h LEU 235 Ca 0.11 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.91 3dhg h LEU 235 Cb 0.27 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3dhg h LEU 235 CO 0.00 0.46 0.31 1.56 -0.34 0.00 0.00 178.44 180.43 3dhg h GLN 236 N 0.72 0.51 0.29 1.25 4.20 -1.03 0.12 115.11 121.16 3dhg h GLN 236 Ca 0.19 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 3dhg h GLN 236 Cb -0.07 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3dhg h GLN 236 CO -0.04 0.34 -0.14 1.96 -0.67 0.00 0.00 178.83 180.28 3dhg h GLN 237 N 0.52 -0.37 -0.88 1.46 7.50 -0.81 -1.24 115.11 121.28 3dhg h GLN 237 Ca 0.35 0.03 0.12 0.00 0.50 0.00 0.00 58.65 59.65 3dhg h GLN 237 Cb 0.42 0.09 -0.08 0.00 0.05 0.00 0.00 27.48 27.95 3dhg h GLN 237 CO -0.30 -0.15 0.50 1.96 -1.50 0.00 0.00 178.83 179.34 3dhg h GLN 238 N -0.54 0.76 -0.14 1.46 1.08 -0.85 -2.10 115.11 114.77 3dhg h GLN 238 Ca -0.04 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3dhg h GLN 238 Cb 0.40 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3dhg h GLN 238 CO 0.07 0.50 0.07 0.00 -0.95 0.00 0.00 178.83 178.52 3dhg h ALA 239 N 1.52 0.18 -0.94 3.87 0.00 -0.50 -2.26 119.26 121.12 3dhg h ALA 239 Ca 0.45 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.35 3dhg h ALA 239 Cb 0.51 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3dhg h ALA 239 CO -0.30 -0.26 0.61 2.35 0.00 0.00 0.00 179.25 181.65 3dhg h TRP 240 N 0.11 1.11 0.00 0.00 7.01 -0.92 -0.08 115.95 123.18 3dhg h TRP 240 Ca 0.05 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.08 3dhg h TRP 240 Cb 0.11 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 26.80 3dhg h TRP 240 CO -0.03 0.59 0.00 0.93 -2.79 0.00 0.00 178.44 177.14 3dhg h GLU 241 N 1.10 0.00 -0.11 2.65 5.08 -1.05 -3.11 114.58 119.14 3dhg h GLU 241 Ca 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3dhg h GLU 241 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3dhg h GLU 241 CO -0.15 0.00 -0.00 0.09 -1.00 0.00 0.00 179.01 177.95 3dhg n ASN 242 N -2.54 3.01 -2.37 1.42 4.13 -0.16 -4.98 115.26 113.77 3dhg n ASN 242 Ca 0.01 -3.06 -0.17 0.00 1.68 0.00 0.00 54.58 53.04 3dhg n ASN 242 Cb 0.24 -0.48 -0.01 0.00 -1.54 0.00 0.00 39.78 37.99 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 -1.04 -4.87 -4.42 6.41 5.15 -0.81 -1.09 115.26 114.58 3dhg n ASN 243 Ca 0.18 0.11 -0.44 0.00 -0.60 0.00 0.00 54.58 53.83 3dhg n ASN 243 Cb 0.75 -4.11 -0.06 0.00 -0.53 0.00 0.00 39.78 35.84 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 -2.06 6.21 0.00 1.20 -1.08 -0.51 -4.37 116.67 116.06 3dhg s ASP 244 Ca 0.00 -1.08 0.22 0.00 -0.52 0.00 0.00 52.55 51.17 3dhg s ASP 244 Cb 0.00 -2.28 0.03 0.00 -1.46 0.00 0.00 42.92 39.21 3dhg s ASP 244 CO 0.00 -0.91 1.08 0.35 0.52 0.00 0.00 175.17 176.20 3dhg n THR 245 N 5.55 0.00 -0.01 1.71 -2.24 -1.26 -4.00 114.28 114.03 3dhg n THR 245 Ca -0.08 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 3dhg n THR 245 Cb 0.44 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.06 -0.70 3.22 5.85 -1.97 -3.33 115.31 118.31 3dhg h LEU 246 Ca 0.00 -0.59 0.13 0.00 0.84 0.00 0.00 57.88 58.25 3dhg h LEU 246 Cb 0.50 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.46 3dhg h LEU 246 CO 0.00 0.63 0.26 0.25 -0.34 0.00 0.00 178.44 179.24 3dhg h LEU 247 N -0.82 0.23 -1.25 2.25 5.85 -1.99 -1.15 115.31 118.43 3dhg h LEU 247 Ca -0.01 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3dhg h LEU 247 Cb 0.65 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3dhg h LEU 247 CO 0.01 0.10 0.11 -0.65 -0.34 0.00 0.00 178.44 177.67 3dhg h PRO 248 N 0.41 0.63 -0.24 5.25 0.11 -1.77 -0.17 132.00 136.22 3dhg h PRO 248 Ca 0.38 -0.11 -0.16 0.00 0.11 0.00 0.00 66.00 66.22 3dhg h PRO 248 Cb 0.55 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3dhg h PRO 248 CO -0.38 0.57 -0.49 -0.07 -0.21 0.00 0.00 178.00 177.42 3dhg h LEU 249 N 0.62 0.71 0.03 2.35 3.38 -1.40 -1.05 115.31 119.94 3dhg h LEU 249 Ca 0.14 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3dhg h LEU 249 Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dhg h LEU 249 CO -0.00 1.08 -0.01 0.25 0.09 0.00 0.00 178.44 179.84 3dhg h LEU 250 N 0.52 -0.03 -1.25 1.67 5.85 -0.94 -2.95 115.31 118.17 3dhg h LEU 250 Ca 0.02 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3dhg h LEU 250 Cb 1.04 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3dhg h LEU 250 CO 0.10 0.10 0.22 0.40 -0.34 0.00 0.00 178.44 178.92 3dhg h ILE 251 N -0.17 1.19 -0.51 4.05 2.04 -0.96 -1.85 117.51 121.30 3dhg h ILE 251 Ca -0.00 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3dhg h ILE 251 Cb 0.16 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3dhg h ILE 251 CO 0.01 0.22 0.29 0.44 0.00 0.00 0.00 178.15 179.11 3dhg h ASP 252 N 0.73 0.61 -0.18 1.72 3.32 -1.06 0.61 116.42 122.18 3dhg h ASP 252 Ca 0.18 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 3dhg h ASP 252 Cb 0.13 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3dhg h ASP 252 CO -0.02 0.49 -0.05 -1.28 -1.72 0.00 0.00 179.24 176.67 3dhg h SER 253 N 0.70 0.34 -0.62 6.45 0.87 -1.19 -1.97 113.55 118.13 3dhg h SER 253 Ca 0.18 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 3dhg h SER 253 Cb 0.01 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 3dhg h SER 253 CO -0.03 0.64 0.31 1.56 -0.53 0.00 0.00 176.83 178.77 3dhg h GLN 254 N 0.05 0.92 -0.36 2.24 4.20 -0.84 -2.77 115.11 118.55 3dhg h GLN 254 Ca 0.04 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3dhg h GLN 254 Cb 0.49 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3dhg h GLN 254 CO 0.02 0.72 0.15 -0.07 -0.67 0.00 0.00 178.83 178.97 3dhg h LEU 255 N 0.92 0.45 -0.51 1.46 3.38 0.41 -0.86 115.31 120.56 3dhg h LEU 255 Ca 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3dhg h LEU 255 Cb 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3dhg h LEU 255 CO -0.03 0.41 0.30 0.50 0.09 0.00 0.00 178.44 179.71 3dhg h LYS 256 N 0.50 0.70 0.14 1.13 3.64 -1.07 0.91 116.57 122.52 3dhg h LYS 256 Ca 0.13 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3dhg h LYS 256 Cb 0.09 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3dhg h LYS 256 CO -0.01 0.52 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.12 3dhg h ASP 257 N 0.68 -0.33 -0.97 4.20 3.32 -1.31 -1.96 116.42 120.05 3dhg h ASP 257 Ca 0.18 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.32 3dhg h ASP 257 Cb 0.01 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 3dhg h ASP 257 CO -0.03 -0.19 0.63 0.00 -1.72 0.00 0.00 179.24 177.92 3dhg h ALA 258 N 0.56 1.44 -0.13 3.45 0.00 -0.79 -1.49 119.26 122.29 3dhg h ALA 258 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3dhg h ALA 258 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dhg h ALA 258 CO -0.03 0.42 -0.41 1.49 0.00 0.00 0.00 179.25 180.73 3dhg h GLU 259 N 1.14 0.30 -0.64 0.00 4.57 -0.72 -1.17 114.58 118.05 3dhg h GLU 259 Ca 0.41 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 3dhg h GLU 259 Cb 0.16 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3dhg h GLU 259 CO -0.16 0.66 0.27 -0.09 -1.18 0.00 0.00 179.01 178.51 3dhg h ARG 260 N 0.25 0.95 -0.64 1.92 2.43 -0.64 0.36 114.38 119.00 3dhg h ARG 260 Ca 0.02 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 3dhg h ARG 260 Cb 0.83 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 3dhg h ARG 260 CO 0.07 0.79 0.25 0.45 -1.51 0.00 0.00 179.97 180.01 3dhg h HIS 261 N 0.89 0.97 -0.55 2.20 3.86 -1.04 -1.62 115.15 119.87 3dhg h HIS 261 Ca 0.21 -0.08 0.04 0.00 -1.16 0.00 0.00 60.37 59.39 3dhg h HIS 261 Cb 0.18 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 3dhg h HIS 261 CO 0.01 0.77 0.30 1.03 0.86 0.00 0.00 177.93 180.90 3dhg h SER 262 N 0.89 0.46 0.15 2.45 0.87 -0.99 -2.22 113.55 115.15 3dhg h SER 262 Ca 0.21 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3dhg h SER 262 Cb 0.21 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3dhg h SER 262 CO -0.02 0.32 -0.07 -0.09 -0.53 0.00 0.00 176.83 176.44 3dhg h ARG 263 N 0.59 -0.19 -0.52 2.24 2.43 -0.45 -0.77 114.38 117.71 3dhg h ARG 263 Ca 0.24 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3dhg h ARG 263 Cb 0.10 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3dhg h ARG 263 CO -0.14 0.00 0.25 0.11 -1.51 0.00 0.00 179.97 178.69 3dhg h TRP 264 N -0.35 0.71 -0.59 2.20 5.08 -1.34 -1.92 115.95 119.74 3dhg h TRP 264 Ca -0.02 -0.02 -0.07 0.00 1.08 0.00 0.00 58.89 59.87 3dhg h TRP 264 Cb 0.28 -0.23 -0.02 0.00 -3.00 0.00 0.00 29.16 26.19 3dhg h TRP 264 CO -0.02 0.52 0.11 0.77 -1.28 0.00 0.00 178.44 178.54 3dhg h SER 265 N 0.72 0.93 -0.23 0.11 0.02 -1.11 -0.83 113.55 113.17 3dhg h SER 265 Ca 0.18 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 3dhg h SER 265 Cb 0.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3dhg h SER 265 CO -0.03 0.94 -0.23 0.11 -1.14 0.00 0.00 176.83 176.48 3dhg h LYS 266 N 0.87 0.70 -0.64 3.45 1.57 -0.86 -1.38 116.57 120.28 3dhg h LYS 266 Ca 0.18 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3dhg h LYS 266 Cb 0.40 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3dhg h LYS 266 CO 0.01 0.87 0.33 0.00 -0.57 0.00 0.00 179.45 180.09 3dhg h ALA 267 N 1.13 1.37 -0.36 3.86 0.00 -0.84 -0.80 119.26 123.62 3dhg h ALA 267 Ca 0.08 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3dhg h ALA 267 Cb 0.72 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3dhg h ALA 267 CO 0.06 0.50 -0.20 1.25 0.00 0.00 0.00 179.25 180.86 3dhg h LEU 268 N 0.90 0.80 -0.21 0.00 5.85 -0.59 -1.49 115.31 120.57 3dhg h LEU 268 Ca 0.23 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3dhg h LEU 268 Cb 0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3dhg h LEU 268 CO -0.03 1.04 0.14 0.58 -0.34 0.00 0.00 178.44 179.83 3dhg h VAL 269 N 0.56 1.05 -0.43 1.05 2.07 -1.12 0.31 116.25 119.74 3dhg h VAL 269 Ca 0.08 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3dhg h VAL 269 Cb 0.75 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 3dhg h VAL 269 CO 0.06 0.05 -0.01 0.50 0.02 0.00 0.00 177.57 178.19 3dhg h LYS 270 N 0.28 0.09 -0.23 1.57 3.64 -1.04 0.19 116.57 121.09 3dhg h LYS 270 Ca 0.08 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3dhg h LYS 270 Cb -0.03 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3dhg h LYS 270 CO -0.02 0.06 0.02 1.25 -2.27 0.00 0.00 179.45 178.49 3dhg h HIS 271 N 0.09 0.03 -0.88 1.91 2.76 -0.93 -2.83 115.15 115.29 3dhg h HIS 271 Ca 0.21 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.41 3dhg h HIS 271 Cb 0.31 0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.25 3dhg h HIS 271 CO -0.29 -0.01 0.59 0.00 -1.30 0.00 0.00 177.93 176.91 3dhg h ALA 272 N 1.18 1.38 0.00 5.26 0.00 0.58 -2.34 119.26 125.32 3dhg h ALA 272 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dhg h ALA 272 Cb 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3dhg h ALA 272 CO -0.16 0.57 0.00 1.28 0.00 0.00 0.00 179.25 180.94 3dhg n LEU 273 N -4.41 0.00 0.25 0.00 4.77 0.59 -1.80 117.00 116.41 3dhg n LEU 273 Ca 0.10 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.16 3dhg n LEU 273 Cb 0.03 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.72 3dhg n LEU 273 CO 0.36 0.00 1.00 -0.33 -1.33 0.00 0.00 177.39 177.09 3dhg h GLU 274 N 0.00 0.00 -5.20 3.23 5.08 -1.41 -3.34 114.58 112.95 3dhg h GLU 274 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 3dhg h GLU 274 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 3dhg h GLU 274 CO 0.00 0.09 0.03 1.21 -1.00 0.00 0.00 179.01 179.33 3dhg s ASN 275 N -6.93 6.27 0.61 1.42 3.04 -0.74 -4.97 114.94 113.63 3dhg s ASN 275 Ca -0.04 -0.52 0.33 0.00 0.04 0.00 0.00 52.86 52.67 3dhg s ASN 275 Cb 0.16 -2.29 1.96 0.00 -1.54 0.00 0.00 41.25 39.54 3dhg s ASN 275 CO 0.67 -0.75 2.28 1.55 -3.04 0.00 0.00 177.10 177.81 3dhg h PRO 276 N 8.86 0.00 0.00 0.43 0.13 -1.85 -0.64 132.00 138.93 3dhg h PRO 276 Ca -0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3dhg h PRO 276 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3dhg h PRO 276 CO 0.88 0.00 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.20 3dhg h ASP 277 N 0.00 0.00 1.42 1.44 3.32 -1.92 -2.87 116.42 117.81 3dhg h ASP 277 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3dhg h ASP 277 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3dhg h ASP 277 CO 0.00 0.01 -0.04 0.78 -1.72 0.00 0.00 179.24 178.27 3dhg h ASN 278 N 0.00 0.00 0.06 6.45 2.35 -1.38 -3.29 115.58 119.77 3dhg h ASN 278 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dhg h ASN 278 Cb 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 3dhg h ASN 278 CO 0.00 0.04 -0.05 -0.74 -1.65 0.00 0.00 177.43 175.04 3dhg h HIS 279 N 0.00 -0.12 -0.34 1.19 2.76 -1.69 -0.49 115.15 116.46 3dhg h HIS 279 Ca -0.00 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 3dhg h HIS 279 Cb 0.76 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.75 3dhg h HIS 279 CO 0.00 -0.07 -0.14 0.00 -1.30 0.00 0.00 177.93 176.42 3dhg h ALA 280 N 0.82 1.13 0.23 5.26 0.00 -1.78 0.90 119.26 125.83 3dhg h ALA 280 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3dhg h ALA 280 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dhg h ALA 280 CO -0.00 0.54 -0.11 0.28 0.00 0.00 0.00 179.25 179.96 3dhg h VAL 281 N 0.54 0.84 -0.03 0.00 2.07 -1.58 -0.35 116.25 117.74 3dhg h VAL 281 Ca 0.10 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3dhg h VAL 281 Cb 0.55 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3dhg h VAL 281 CO 0.03 0.08 0.01 0.40 0.02 0.00 0.00 177.57 178.12 3dhg h ILE 282 N -0.48 1.08 -0.75 4.57 2.04 -0.99 -2.09 117.51 120.89 3dhg h ILE 282 Ca -0.03 -0.22 0.15 0.00 1.00 0.00 0.00 64.86 65.76 3dhg h ILE 282 Cb 0.36 1.18 -0.10 0.00 -0.74 0.00 0.00 36.82 37.52 3dhg h ILE 282 CO 0.05 0.06 0.27 -0.33 0.00 0.00 0.00 178.15 178.20 3dhg h GLU 283 N -0.05 0.39 -0.46 2.37 5.08 -0.83 -1.63 114.58 119.45 3dhg h GLU 283 Ca 0.01 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3dhg h GLU 283 Cb 0.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3dhg h GLU 283 CO -0.00 0.26 -0.15 0.78 -1.00 0.00 0.00 179.01 178.90 3dhg h GLY 284 N 0.40 0.95 1.10 -3.84 0.00 -0.69 -0.91 103.07 100.08 3dhg h GLY 284 Ca 0.41 -0.77 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 3dhg h GLY 284 CO -0.43 0.70 -0.17 1.49 0.00 0.00 0.00 176.54 178.14 3dhg h TRP 285 N 0.78 1.16 -0.09 5.60 6.55 -1.00 -1.19 115.95 127.76 3dhg h TRP 285 Ca 0.12 -0.26 0.01 0.00 0.95 0.00 0.00 58.89 59.70 3dhg h TRP 285 Cb 0.67 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.69 3dhg h TRP 285 CO 0.04 1.10 0.03 0.82 -1.05 0.00 0.00 178.44 179.37 3dhg h ILE 286 N 0.89 0.98 -0.76 1.49 2.04 -1.12 -0.53 117.51 120.50 3dhg h ILE 286 Ca 0.13 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.99 3dhg h ILE 286 Cb 0.75 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3dhg h ILE 286 CO 0.06 0.01 0.50 -0.33 0.00 0.00 0.00 178.15 178.39 3dhg h GLU 287 N 0.07 0.90 -0.02 2.37 5.08 -1.08 0.12 114.58 122.01 3dhg h GLU 287 Ca 0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dhg h GLU 287 Cb 0.02 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3dhg h GLU 287 CO -0.04 0.59 0.00 -0.22 -1.00 0.00 0.00 179.01 178.34 3dhg h LYS 288 N 0.92 0.04 0.00 2.33 3.64 -0.87 -3.33 116.57 119.31 3dhg h LYS 288 Ca 0.30 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.46 3dhg h LYS 288 Cb 0.05 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3dhg h LYS 288 CO -0.09 0.33 -1.07 -1.49 -2.27 0.00 0.00 179.45 174.86 3dhg h TRP 289 N -0.25 0.00 -0.63 1.91 4.06 -0.49 -3.39 115.95 117.16 3dhg h TRP 289 Ca 0.01 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.06 3dhg h TRP 289 Cb 0.31 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.39 3dhg h TRP 289 CO 0.03 0.89 0.21 0.00 -3.56 0.00 0.00 178.44 176.01 3dhg h ARG 290 N 0.00 0.36 -0.48 0.49 3.08 -0.90 -2.35 114.38 114.58 3dhg h ARG 290 Ca -0.07 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3dhg h ARG 290 Cb 1.74 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.68 3dhg h ARG 290 CO 0.11 0.24 0.30 -1.35 -1.07 0.00 0.00 179.97 178.19 3dhg h PRO 291 N 0.37 0.58 -0.61 0.04 0.11 -1.76 0.57 132.00 131.30 3dhg h PRO 291 Ca 0.33 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.45 3dhg h PRO 291 Cb 0.45 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.38 3dhg h PRO 291 CO -0.35 0.38 0.34 -0.07 -0.21 0.00 0.00 178.00 178.09 3dhg h LEU 292 N 0.59 0.52 -0.97 2.35 3.38 -1.75 -0.89 115.31 118.54 3dhg h LEU 292 Ca 0.19 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3dhg h LEU 292 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3dhg h LEU 292 CO -0.08 0.35 -0.23 0.00 0.09 0.00 0.00 178.44 178.57 3dhg h ALA 293 N 1.31 1.13 -0.21 1.53 0.00 -1.02 -0.95 119.26 121.04 3dhg h ALA 293 Ca 0.26 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 3dhg h ALA 293 Cb 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dhg h ALA 293 CO -0.16 0.55 -0.65 -0.44 0.00 0.00 0.00 179.25 178.55 3dhg h ASP 294 N 0.43 0.93 -0.66 0.00 3.32 -0.49 -1.28 116.42 118.67 3dhg h ASP 294 Ca 0.07 -0.59 0.02 0.00 0.02 0.00 0.00 57.03 56.55 3dhg h ASP 294 Cb 0.64 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3dhg h ASP 294 CO 0.05 1.36 0.42 0.03 -1.72 0.00 0.00 179.24 179.38 3dhg h ARG 295 N 0.56 0.82 -0.04 3.56 3.08 -1.08 -0.86 114.38 120.43 3dhg h ARG 295 Ca -0.02 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3dhg h ARG 295 Cb 1.27 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 3dhg h ARG 295 CO 0.14 0.54 -0.17 0.00 -1.07 0.00 0.00 179.97 179.41 3dhg h ALA 296 N 1.27 -0.18 -0.83 0.04 0.00 -1.08 -2.18 119.26 116.28 3dhg h ALA 296 Ca 0.26 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3dhg h ALA 296 Cb -0.03 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3dhg h ALA 296 CO -0.08 -0.66 0.52 0.00 0.00 0.00 0.00 179.25 179.03 3dhg h ALA 297 N 0.69 1.06 -0.27 0.00 0.00 -1.04 -2.08 119.26 117.61 3dhg h ALA 297 Ca 0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3dhg h ALA 297 Cb 0.35 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dhg h ALA 297 CO -0.19 0.51 -0.12 1.49 0.00 0.00 0.00 179.25 180.94 3dhg h GLU 298 N 1.14 0.55 -0.39 0.00 4.22 -1.00 0.42 114.58 119.53 3dhg h GLU 298 Ca 0.30 -0.24 -0.09 0.00 0.08 0.00 0.00 59.36 59.42 3dhg h GLU 298 Cb -0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3dhg h GLU 298 CO -0.06 0.79 -0.12 0.00 -2.18 0.00 0.00 179.01 177.44 3dhg h ALA 299 N 0.74 1.06 -0.09 2.92 0.00 -1.30 -2.58 119.26 120.00 3dhg h ALA 299 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3dhg h ALA 299 Cb 0.63 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3dhg h ALA 299 CO 0.04 0.57 0.00 -0.92 0.00 0.00 0.00 179.25 178.95 3dhg h TYR 300 N 0.62 0.17 -0.94 0.00 3.20 -1.14 -2.81 116.97 116.08 3dhg h TYR 300 Ca 0.11 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3dhg h TYR 300 Cb 0.57 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 3dhg h TYR 300 CO 0.03 0.40 0.55 -0.07 -1.64 0.00 0.00 178.16 177.43 3dhg h LEU 301 N -0.11 1.14 -0.38 2.82 3.38 -0.81 -0.56 115.31 120.80 3dhg h LEU 301 Ca 0.03 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 3dhg h LEU 301 Cb 0.33 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3dhg h LEU 301 CO 0.00 0.88 -0.63 0.77 0.09 0.00 0.00 178.44 179.56 3dhg h SER 302 N 1.30 0.74 -0.63 -0.43 4.64 -1.53 -2.76 113.55 114.87 3dhg h SER 302 Ca 0.34 -0.43 0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3dhg h SER 302 Cb -0.03 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.80 3dhg h SER 302 CO -0.06 1.18 0.40 -0.03 -0.87 0.00 0.00 176.83 177.45 3dhg h MET 303 N 0.48 0.76 -0.51 4.77 1.85 -1.20 -2.08 114.93 119.00 3dhg h MET 303 Ca -0.01 -0.05 0.09 0.00 -0.61 0.00 0.00 59.70 59.12 3dhg h MET 303 Cb 1.21 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 33.04 3dhg h MET 303 CO 0.12 0.50 0.34 1.25 -0.40 0.00 0.00 176.91 178.73 3dhg h LEU 304 N 0.78 0.27 -0.65 3.39 5.85 -0.92 -2.64 115.31 121.38 3dhg h LEU 304 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3dhg h LEU 304 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3dhg h LEU 304 CO -0.10 0.17 -0.54 -0.24 -0.34 0.00 0.00 178.44 177.39 3dhg n SER 305 N -4.46 1.53 0.00 1.25 2.88 -0.98 -5.06 113.62 108.77 3dhg n SER 305 Ca 0.08 -1.27 0.08 0.00 -1.33 0.00 0.00 58.87 56.43 3dhg n SER 305 Cb 0.36 0.64 0.47 0.00 -0.75 0.00 0.00 64.21 64.92 3dhg n SER 305 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27