#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5rub n GLN 3 N 0.00 0.00 0.32 -0.67 6.02 -1.26 -3.84 117.38 117.94 5rub n GLN 3 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.18 5rub n GLN 3 Cb 0.00 -0.81 1.00 0.00 1.02 0.00 0.00 30.24 31.45 5rub n GLN 3 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 5rub h SER 4 N 8.31 0.00 0.00 1.08 0.87 -1.89 -2.10 113.55 119.82 5rub h SER 4 Ca 0.02 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 5rub h SER 4 Cb 0.87 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 5rub h SER 4 CO 1.14 0.00 -2.08 -0.24 -0.53 0.00 0.00 176.83 175.11 5rub n SER 5 N -2.90 0.06 -0.10 6.23 2.88 -1.26 -4.27 113.62 114.27 5rub n SER 5 Ca -0.02 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.32 5rub n SER 5 Cb 0.19 1.74 -0.11 0.00 -0.75 0.00 0.00 64.21 65.27 5rub n SER 5 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 5rub h ARG 6 N 0.00 0.00 -0.64 -1.46 2.43 -1.80 -3.39 114.38 109.52 5rub h ARG 6 Ca -0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 5rub h ARG 6 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 5rub h ARG 6 CO 0.01 0.96 0.00 0.66 -1.51 0.00 0.00 179.97 180.09 5rub n TYR 7 N -4.48 0.88 -4.47 2.20 4.01 -0.94 -4.84 117.16 109.52 5rub n TYR 7 Ca -0.27 -0.34 -0.27 0.00 -0.16 0.00 0.00 57.90 56.87 5rub n TYR 7 Cb 0.62 -0.20 -0.17 0.00 -0.31 0.00 0.00 39.34 39.28 5rub n TYR 7 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 5rub s VAL 8 N -1.76 1.35 -0.45 -0.72 1.01 -1.26 -1.08 120.40 117.49 5rub s VAL 8 Ca 0.28 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.74 5rub s VAL 8 Cb 0.19 -1.25 0.18 0.00 0.00 0.00 0.00 36.38 35.51 5rub s VAL 8 CO 0.12 0.41 0.50 -3.20 0.00 0.00 0.00 175.10 172.93 5rub n ASN 9 N 4.13 -1.54 0.00 3.32 2.85 -0.34 -4.87 115.26 118.80 5rub n ASN 9 Ca -0.20 -2.61 0.08 0.00 -0.11 0.00 0.00 54.58 51.75 5rub n ASN 9 Cb 0.51 0.31 0.49 0.00 1.24 0.00 0.00 39.78 42.34 5rub n ASN 9 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 5rub n LEU 10 N 2.73 0.00 -0.07 1.20 4.77 -1.26 -2.71 117.00 121.67 5rub n LEU 10 Ca 0.25 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 5rub n LEU 10 Cb 0.52 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.80 5rub n LEU 10 CO 0.05 0.00 0.39 0.00 -1.33 0.00 0.00 177.39 176.50 5rub n ALA 11 N -0.91 3.69 -1.88 -1.18 0.00 -1.26 -4.90 120.51 114.07 5rub n ALA 11 Ca 0.12 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 5rub n ALA 11 Cb 0.06 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 5rub n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 5rub s LEU 12 N -2.88 4.42 -0.19 0.00 1.43 -1.10 -5.00 118.68 115.37 5rub s LEU 12 Ca 0.13 2.54 -0.07 0.00 -1.03 0.00 0.00 54.13 55.70 5rub s LEU 12 Cb 0.18 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 5rub s LEU 12 CO 0.69 -0.53 0.06 -0.54 0.23 0.00 0.00 176.35 176.26 5rub s LYS 13 N -0.85 3.94 0.27 1.70 3.01 -1.26 -4.92 119.74 121.63 5rub s LYS 13 Ca 0.54 -0.36 0.01 0.00 -1.01 0.00 0.00 55.97 55.14 5rub s LYS 13 Cb -0.38 -3.23 0.58 0.00 -1.01 0.00 0.00 37.83 33.79 5rub s LYS 13 CO 0.44 0.22 1.76 1.49 0.51 0.00 0.00 175.35 179.77 5rub h GLU 14 N 6.87 0.61 -0.57 1.68 4.81 -1.94 0.40 114.58 126.44 5rub h GLU 14 Ca -0.37 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.88 5rub h GLU 14 Cb 1.17 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 5rub h GLU 14 CO 0.69 0.40 0.29 0.93 -0.73 0.00 0.00 179.01 180.59 5rub h GLU 15 N 0.63 0.54 -0.69 1.92 3.07 -2.00 0.90 114.58 118.95 5rub h GLU 15 Ca 0.49 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.25 5rub h GLU 15 Cb 0.73 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 5rub h GLU 15 CO -0.38 0.36 0.15 -0.44 -1.40 0.00 0.00 179.01 177.29 5rub h ASP 16 N 0.55 1.07 -0.51 1.42 3.45 -0.74 -1.37 116.42 120.30 5rub h ASP 16 Ca 0.25 -0.24 0.05 0.00 0.43 0.00 0.00 57.03 57.53 5rub h ASP 16 Cb 0.17 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 38.61 5rub h ASP 16 CO -0.18 1.04 0.24 -0.07 -1.57 0.00 0.00 179.24 178.70 5rub h LEU 17 N 1.06 0.34 0.03 1.55 3.38 0.30 0.20 115.31 122.16 5rub h LEU 17 Ca 0.22 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 5rub h LEU 17 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 5rub h LEU 17 CO 0.01 0.23 -0.01 0.40 0.09 0.00 0.00 178.44 179.16 5rub h ILE 18 N 0.48 1.26 -0.95 1.22 2.04 -0.66 -2.79 117.51 118.12 5rub h ILE 18 Ca 0.23 -0.91 0.07 0.00 1.00 0.00 0.00 64.86 65.25 5rub h ILE 18 Cb 0.16 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 5rub h ILE 18 CO -0.17 0.23 0.61 0.00 0.00 0.00 0.00 178.15 178.82 5rub h ALA 19 N 0.52 1.49 -0.53 1.87 0.00 -1.12 -0.99 119.26 120.50 5rub h ALA 19 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 5rub h ALA 19 Cb 0.41 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 5rub h ALA 19 CO 0.01 0.36 0.35 0.78 0.00 0.00 0.00 179.25 180.75 5rub h GLY 20 N 1.06 0.72 -0.40 0.00 0.00 -0.47 -3.46 103.07 100.52 5rub h GLY 20 Ca 0.42 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 47.32 5rub h GLY 20 CO -0.17 0.24 -0.15 0.61 0.00 0.00 0.00 176.54 177.07 5rub n GLY 21 N -1.46 0.97 0.09 4.60 0.00 -0.38 -4.90 105.19 104.12 5rub n GLY 21 Ca 0.06 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.84 5rub n GLY 21 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 5rub n GLU 22 N -2.08 1.38 -4.30 1.61 0.28 -1.26 -4.57 120.64 111.71 5rub n GLU 22 Ca -0.08 -2.55 -0.18 0.00 -0.16 0.00 0.00 57.16 54.18 5rub n GLU 22 Cb 0.36 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 31.58 5rub n GLU 22 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 5rub s HIS 23 N -2.82 0.74 -0.05 -1.84 3.76 -1.26 -1.65 115.29 112.17 5rub s HIS 23 Ca 0.31 -0.16 -0.24 0.00 -0.15 0.00 0.00 55.06 54.83 5rub s HIS 23 Cb 0.27 -0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.41 5rub s HIS 23 CO 0.03 -0.05 0.71 0.08 -0.85 0.00 0.00 174.74 174.66 5rub s VAL 24 N 0.02 5.00 -0.06 -0.90 1.01 0.20 -4.36 120.40 121.31 5rub s VAL 24 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.45 5rub s VAL 24 Cb -0.05 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 5rub s VAL 24 CO -0.00 0.27 -0.04 -0.76 0.00 0.00 0.00 175.10 174.57 5rub s LEU 25 N 0.66 3.33 0.04 3.92 1.43 -0.66 -0.63 118.68 126.77 5rub s LEU 25 Ca 0.38 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 5rub s LEU 25 Cb -0.18 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 5rub s LEU 25 CO 0.19 0.35 -0.12 0.00 0.23 0.00 0.00 176.35 177.00 5rub s ALA 27 N -0.98 1.92 0.10 0.00 0.00 -0.46 -1.67 121.76 120.67 5rub s ALA 27 Ca -0.02 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.18 5rub s ALA 27 Cb -0.08 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 5rub s ALA 27 CO 0.01 0.24 -0.14 0.71 0.00 0.00 0.00 175.76 176.58 5rub s TYR 28 N 0.42 1.32 -0.50 0.00 2.02 -0.34 -0.80 117.35 119.47 5rub s TYR 28 Ca -0.17 -0.52 -0.10 0.00 -0.37 0.00 0.00 57.07 55.90 5rub s TYR 28 Cb -0.17 -0.71 0.13 0.00 -0.40 0.00 0.00 41.96 40.80 5rub s TYR 28 CO 0.07 0.10 0.39 0.42 -1.57 0.00 0.00 175.55 174.96 5rub s ILE 29 N -1.76 4.43 -0.08 2.71 -1.09 0.52 -1.81 121.20 124.12 5rub s ILE 29 Ca 0.04 -1.78 0.03 0.00 -2.23 0.00 0.00 60.65 56.71 5rub s ILE 29 Cb -0.07 -3.90 0.01 0.00 -1.58 0.00 0.00 42.46 36.92 5rub s ILE 29 CO 0.03 -0.80 -0.18 -0.32 -1.23 0.00 0.00 174.94 172.43 5rub s MET 30 N 1.34 2.36 -0.11 2.79 1.75 -0.38 -0.36 119.30 126.70 5rub s MET 30 Ca 0.06 -0.65 0.03 0.00 -1.25 0.00 0.00 55.69 53.87 5rub s MET 30 Cb -0.26 -1.85 0.01 0.00 2.84 0.00 0.00 34.83 35.56 5rub s MET 30 CO -0.00 0.12 -0.21 0.21 -0.65 0.00 0.00 175.02 174.48 5rub s LYS 31 N 0.46 2.84 0.36 4.11 2.20 0.38 -4.54 119.74 125.55 5rub s LYS 31 Ca -0.16 -0.80 -0.18 0.00 -0.36 0.00 0.00 55.97 54.47 5rub s LYS 31 Cb -0.17 -2.24 -0.10 0.00 -1.51 0.00 0.00 37.83 33.82 5rub s LYS 31 CO 0.06 0.06 0.83 -1.25 -0.36 0.00 0.00 175.35 174.69 5rub s PRO 32 N 0.64 4.14 0.86 4.03 0.04 -1.26 0.03 135.00 143.47 5rub s PRO 32 Ca -0.12 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 5rub s PRO 32 Cb -0.16 -2.37 0.11 0.00 0.04 0.00 0.00 34.50 32.12 5rub s PRO 32 CO 0.03 0.10 1.11 0.15 0.04 0.00 0.00 177.00 178.42 5rub s LYS 33 N -2.97 1.53 -0.30 4.56 1.02 0.75 -4.55 119.74 119.78 5rub s LYS 33 Ca 0.57 1.24 -0.43 0.00 0.02 0.00 0.00 55.97 57.36 5rub s LYS 33 Cb -0.10 -1.81 -0.19 0.00 -0.52 0.00 0.00 37.83 35.21 5rub s LYS 33 CO 0.16 -2.18 1.49 0.00 -0.92 0.00 0.00 175.35 173.91 5rub n ALA 34 N -3.89 -1.60 -0.13 5.17 0.00 -1.26 -1.88 120.51 116.91 5rub n ALA 34 Ca 0.09 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.04 5rub n ALA 34 Cb 0.53 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.02 5rub n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5rub n GLY 35 N 3.38 1.13 3.89 0.00 0.00 -1.26 -5.05 105.19 107.27 5rub n GLY 35 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 5rub n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 5rub s TYR 36 N -2.57 3.57 0.32 1.61 1.51 -0.79 -5.07 117.35 115.93 5rub s TYR 36 Ca 0.00 0.56 -0.28 0.00 -1.01 0.00 0.00 57.07 56.34 5rub s TYR 36 Cb 0.00 -1.99 -0.10 0.00 -0.11 0.00 0.00 41.96 39.77 5rub s TYR 36 CO 0.00 0.60 1.16 0.20 -1.11 0.00 0.00 175.55 176.39 5rub s GLY 37 N -1.80 3.00 0.11 0.71 0.00 -1.26 -4.84 107.32 103.24 5rub s GLY 37 Ca 0.29 0.99 -0.27 0.00 0.00 0.00 0.00 44.72 45.73 5rub s GLY 37 CO 0.17 1.58 1.65 -1.82 0.00 0.00 0.00 173.10 174.68 5rub h TYR 38 N 3.43 -0.63 -0.80 1.90 3.20 -1.98 -1.97 116.97 120.12 5rub h TYR 38 Ca -0.48 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.43 5rub h TYR 38 Cb 1.22 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.71 5rub h TYR 38 CO 0.57 -0.34 0.53 0.28 -1.64 0.00 0.00 178.16 177.56 5rub h VAL 39 N -0.44 1.16 -0.06 1.81 2.07 -1.99 -2.16 116.25 116.64 5rub h VAL 39 Ca 0.03 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.21 5rub h VAL 39 Cb 0.46 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 5rub h VAL 39 CO -0.13 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.65 5rub h ALA 40 N 1.52 0.05 -0.60 1.67 0.00 -1.87 -0.74 119.26 119.29 5rub h ALA 40 Ca 0.31 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 5rub h ALA 40 Cb -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 5rub h ALA 40 CO -0.08 -0.47 0.01 1.15 0.00 0.00 0.00 179.25 179.86 5rub h THR 41 N 0.03 1.27 -0.26 0.00 2.02 -1.12 -1.21 112.91 113.62 5rub h THR 41 Ca 0.03 -1.14 -0.13 0.00 0.77 0.00 0.00 66.41 65.94 5rub h THR 41 Cb 0.03 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 5rub h THR 41 CO -0.04 0.41 -0.37 0.00 0.37 0.00 0.00 175.52 175.89 5rub h ALA 42 N 0.99 0.87 -0.66 6.16 0.00 -1.28 -0.30 119.26 125.03 5rub h ALA 42 Ca 0.17 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 5rub h ALA 42 Cb 0.55 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 5rub h ALA 42 CO 0.03 0.64 0.14 0.00 0.00 0.00 0.00 179.25 180.06 5rub h ALA 43 N 1.10 1.00 -0.22 0.00 0.00 -0.74 0.93 119.26 121.34 5rub h ALA 43 Ca 0.05 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 5rub h ALA 43 Cb 0.87 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 5rub h ALA 43 CO 0.07 0.64 -0.55 1.25 0.00 0.00 0.00 179.25 180.66 5rub h HIS 44 N 1.00 0.84 -0.24 0.00 6.17 -1.05 -2.29 115.15 119.58 5rub h HIS 44 Ca 0.21 -0.30 -0.02 0.00 0.71 0.00 0.00 60.37 60.96 5rub h HIS 44 Cb 0.38 -0.16 -0.01 0.00 2.52 0.00 0.00 27.41 30.14 5rub h HIS 44 CO 0.03 1.07 0.05 0.35 0.71 0.00 0.00 177.93 180.14 5rub h PHE 45 N 0.52 0.40 -0.61 5.26 3.04 -0.48 0.15 116.94 125.21 5rub h PHE 45 Ca 0.01 -0.05 -0.06 0.00 3.98 0.00 0.00 57.97 61.85 5rub h PHE 45 Cb 1.12 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.49 5rub h PHE 45 CO 0.06 0.48 0.12 0.00 -2.02 0.00 0.00 178.31 176.95 5rub h ALA 46 N 0.87 1.07 0.85 2.41 0.00 -0.78 -2.28 119.26 121.40 5rub h ALA 46 Ca 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 5rub h ALA 46 Cb 0.29 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.85 5rub h ALA 46 CO 0.00 0.61 -0.41 0.00 0.00 0.00 0.00 179.25 179.45 5rub h ALA 47 N 1.21 -1.19 0.00 0.00 0.00 -1.28 -1.56 119.26 116.44 5rub h ALA 47 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 5rub h ALA 47 Cb 0.37 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.60 5rub h ALA 47 CO 0.00 -1.11 0.00 -1.91 0.00 0.00 0.00 179.25 176.24 5rub n GLU 48 N -5.37 0.10 0.00 0.00 4.07 0.50 -0.11 120.64 119.82 5rub n GLU 48 Ca -0.14 0.56 0.10 0.00 -0.06 0.00 0.00 57.16 57.62 5rub n GLU 48 Cb 0.45 -1.80 -0.10 0.00 -0.06 0.00 0.00 31.44 29.93 5rub n GLU 48 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 5rub n SER 49 N -2.00 0.78 0.00 4.31 7.64 -0.86 -4.59 113.62 118.89 5rub n SER 49 Ca -0.00 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.14 5rub n SER 49 Cb 0.05 1.11 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 5rub n SER 49 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 5rub n SER 50 N -1.66 0.00 -0.94 6.43 3.41 -0.23 -4.70 113.62 115.93 5rub n SER 50 Ca 0.03 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.69 5rub n SER 50 Cb 0.38 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.52 5rub n SER 50 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 5rub n THR 51 N 0.00 0.93 -1.65 6.66 -2.24 -1.23 -5.01 114.28 111.74 5rub n THR 51 Ca 0.00 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 5rub n THR 51 Cb 0.00 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 5rub n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5rub n GLY 52 N 0.76 0.00 0.00 3.38 0.00 0.84 -5.01 105.19 105.16 5rub n GLY 52 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 5rub n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 5rub n THR 64 N -0.61 0.00 -2.13 2.61 -1.04 -1.26 -4.72 114.28 107.13 5rub n THR 64 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 5rub n THR 64 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 5rub n THR 64 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 5rub n ARG 65 N 0.00 3.52 0.00 -2.82 5.12 -1.26 -4.70 116.66 116.52 5rub n ARG 65 Ca 0.00 -3.85 0.00 0.00 -1.93 0.00 0.00 57.85 52.07 5rub n ARG 65 Cb 0.00 -2.33 0.00 0.00 -1.16 0.00 0.00 32.46 28.97 5rub n ARG 65 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 5rub n GLY 66 N -0.40 0.74 0.00 -0.13 0.00 -1.26 -4.98 105.19 99.16 5rub n GLY 66 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 5rub n GLY 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 5rub n VAL 67 N 0.00 0.00 -2.62 1.61 0.31 -1.26 -4.84 118.33 111.53 5rub n VAL 67 Ca 0.00 -0.30 -0.40 0.00 -0.01 0.00 0.00 64.34 63.63 5rub n VAL 67 Cb 0.00 1.10 -0.05 0.00 -0.91 0.00 0.00 33.84 33.98 5rub n VAL 67 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 5rub s ASP 68 N -0.45 7.45 0.07 4.52 1.01 -1.26 -4.51 116.67 123.49 5rub s ASP 68 Ca 0.00 2.10 -0.27 0.00 0.71 0.00 0.00 52.55 55.08 5rub s ASP 68 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 5rub s ASP 68 CO 0.00 -0.00 0.86 0.00 0.21 0.00 0.00 175.17 176.24 5rub s ALA 69 N -1.19 3.30 -0.07 5.23 0.00 -1.26 -4.62 121.76 123.14 5rub s ALA 69 Ca 0.43 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.84 5rub s ALA 69 Cb -0.28 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 5rub s ALA 69 CO 0.36 -0.00 -0.15 -0.51 0.00 0.00 0.00 175.76 175.46 5rub s LEU 70 N 0.08 2.67 -0.30 0.00 1.43 -0.51 -4.59 118.68 117.46 5rub s LEU 70 Ca 0.43 -0.25 -0.27 0.00 -1.03 0.00 0.00 54.13 53.00 5rub s LEU 70 Cb -0.22 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.46 5rub s LEU 70 CO 0.26 0.29 0.99 -0.69 0.23 0.00 0.00 176.35 177.43 5rub s VAL 71 N -0.42 4.62 -1.01 -1.59 1.01 -0.24 -0.01 120.40 122.75 5rub s VAL 71 Ca 0.05 1.63 0.13 0.00 0.00 0.00 0.00 61.98 63.79 5rub s VAL 71 Cb -0.12 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 5rub s VAL 71 CO 0.02 -0.37 0.68 0.00 0.00 0.00 0.00 175.10 175.44 5rub n TYR 72 N 6.60 0.00 -3.65 5.22 4.11 -0.71 -1.20 117.16 127.53 5rub n TYR 72 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.87 5rub n TYR 72 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.74 5rub n TYR 72 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 5rub s GLU 73 N -1.87 0.76 0.02 -3.48 2.12 -1.22 -4.48 118.70 110.56 5rub s GLU 73 Ca 0.09 0.98 0.01 0.00 0.36 0.00 0.00 54.97 56.41 5rub s GLU 73 Cb 0.10 0.33 -0.02 0.00 0.26 0.00 0.00 34.13 34.81 5rub s GLU 73 CO 0.41 -0.11 -0.04 0.08 -0.54 0.00 0.00 175.26 175.06 5rub s VAL 74 N 0.61 0.24 -0.32 3.70 1.01 -1.26 -1.89 120.40 122.50 5rub s VAL 74 Ca -0.02 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.15 5rub s VAL 74 Cb -0.05 -0.34 0.17 0.00 0.00 0.00 0.00 36.38 36.16 5rub s VAL 74 CO -0.03 -0.39 0.47 -0.62 0.00 0.00 0.00 175.10 174.53 5rub s ASP 75 N -1.30 -0.20 0.37 3.32 3.68 -0.46 -5.00 116.67 117.06 5rub s ASP 75 Ca -0.12 -0.49 0.17 0.00 2.13 0.00 0.00 52.55 54.24 5rub s ASP 75 Cb -0.09 1.35 0.68 0.00 -1.45 0.00 0.00 42.92 43.42 5rub s ASP 75 CO -0.00 -0.30 1.75 1.05 0.13 0.00 0.00 175.17 177.79 5rub h GLU 76 N 7.81 0.00 -0.22 4.34 9.09 -1.96 0.32 114.58 133.96 5rub h GLU 76 Ca -0.03 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.21 5rub h GLU 76 Cb 1.13 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.23 5rub h GLU 76 CO 0.21 0.40 -0.55 0.00 0.05 0.00 0.00 179.01 179.12 5rub h ALA 77 N 1.60 0.61 -0.14 1.06 0.00 -1.96 -3.00 119.26 117.43 5rub h ALA 77 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 5rub h ALA 77 Cb 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 5rub h ALA 77 CO 0.05 0.69 0.00 0.54 0.00 0.00 0.00 179.25 180.53 5rub n ARG 78 N -3.98 1.78 -3.34 0.00 1.74 -1.14 -4.93 116.66 106.79 5rub n ARG 78 Ca -0.04 -1.16 -0.24 0.00 -0.77 0.00 0.00 57.85 55.64 5rub n ARG 78 Cb 0.61 -1.42 0.04 0.00 -1.02 0.00 0.00 32.46 30.67 5rub n ARG 78 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 5rub n GLU 79 N 0.39 -5.82 -3.72 5.56 1.02 -0.57 -4.94 120.64 112.56 5rub n GLU 79 Ca 0.17 0.81 -0.37 0.00 -0.02 0.00 0.00 57.16 57.75 5rub n GLU 79 Cb 0.36 -5.73 -0.11 0.00 -0.02 0.00 0.00 31.44 25.94 5rub n GLU 79 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 5rub s LEU 80 N -6.94 3.77 -0.11 -4.62 2.96 -0.00 -1.24 118.68 112.49 5rub s LEU 80 Ca 0.45 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 5rub s LEU 80 Cb -0.20 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.48 5rub s LEU 80 CO 0.55 0.00 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.53 5rub s THR 81 N 1.43 1.57 -0.14 3.68 2.01 -0.75 -1.36 115.64 122.08 5rub s THR 81 Ca 0.06 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.39 5rub s THR 81 Cb -0.15 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.94 5rub s THR 81 CO 0.06 0.46 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.71 5rub s LYS 82 N 0.98 3.12 -0.02 4.92 1.02 -0.79 -1.20 119.74 127.77 5rub s LYS 82 Ca -0.06 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.19 5rub s LYS 82 Cb -0.15 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 5rub s LYS 82 CO -0.02 0.04 -0.24 0.42 -0.92 0.00 0.00 175.35 174.63 5rub s ILE 83 N 0.72 2.23 -0.29 2.17 1.01 -0.67 -1.74 121.20 124.63 5rub s ILE 83 Ca -0.08 -1.07 -0.08 0.00 0.00 0.00 0.00 60.65 59.41 5rub s ILE 83 Cb -0.16 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 5rub s ILE 83 CO 0.01 0.56 0.11 0.00 0.00 0.00 0.00 174.94 175.62 5rub s ALA 84 N -0.65 3.18 -0.28 9.38 0.00 0.99 -1.41 121.76 132.97 5rub s ALA 84 Ca 0.10 -1.36 -0.07 0.00 0.00 0.00 0.00 51.96 50.63 5rub s ALA 84 Cb -0.10 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 5rub s ALA 84 CO -0.00 -0.83 0.08 0.71 0.00 0.00 0.00 175.76 175.72 5rub s TYR 85 N 1.58 3.12 0.34 0.00 1.51 0.20 -1.42 117.35 122.67 5rub s TYR 85 Ca 0.04 -0.73 -0.29 0.00 -1.01 0.00 0.00 57.07 55.08 5rub s TYR 85 Cb -0.17 -2.26 -0.12 0.00 -0.11 0.00 0.00 41.96 39.31 5rub s TYR 85 CO 0.04 -0.49 1.45 -2.30 -1.11 0.00 0.00 175.55 173.15 5rub n PRO 86 N 4.90 2.48 0.30 -1.71 -0.02 -1.26 0.61 135.00 140.30 5rub n PRO 86 Ca -0.15 0.87 0.18 0.00 -2.02 0.00 0.00 63.50 62.38 5rub n PRO 86 Cb 0.49 -2.57 0.89 0.00 -0.02 0.00 0.00 33.50 32.30 5rub n PRO 86 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 5rub h VAL 87 N 2.94 0.15 -0.01 -1.45 -1.51 -1.67 -2.51 116.25 112.20 5rub h VAL 87 Ca -0.48 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 5rub h VAL 87 Cb 1.25 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.70 5rub h VAL 87 CO 0.68 0.03 0.01 0.00 -1.23 0.00 0.00 177.57 177.06 5rub h ALA 88 N 1.97 1.56 0.00 5.19 0.00 -1.88 -2.56 119.26 123.54 5rub h ALA 88 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 5rub h ALA 88 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 5rub h ALA 88 CO 0.00 -0.02 -0.13 -0.07 0.00 0.00 0.00 179.25 179.03 5rub h LEU 89 N 0.00 0.00 -9.57 0.00 3.38 -1.79 -3.45 115.31 103.87 5rub h LEU 89 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.45 5rub h LEU 89 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 5rub h LEU 89 CO -0.00 0.13 0.26 -0.36 0.09 0.00 0.00 178.44 178.56 5rub s PHE 90 N -3.97 3.80 0.62 1.13 0.40 -0.97 -5.03 117.98 113.96 5rub s PHE 90 Ca -0.02 1.65 -0.16 0.00 -0.60 0.00 0.00 56.93 57.80 5rub s PHE 90 Cb 0.12 -2.92 -0.02 0.00 0.51 0.00 0.00 43.02 40.71 5rub s PHE 90 CO 0.59 0.27 1.12 0.34 0.70 0.00 0.00 175.22 178.24 5rub s ASP 91 N -0.18 5.28 0.05 1.36 3.68 -1.26 -5.06 116.67 120.54 5rub s ASP 91 Ca 0.42 2.06 -0.10 0.00 2.13 0.00 0.00 52.55 57.06 5rub s ASP 91 Cb -0.22 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.69 5rub s ASP 91 CO 0.27 -1.52 0.21 0.00 0.13 0.00 0.00 175.17 174.25 5rub s ARG 92 N -3.84 0.74 0.42 4.34 1.70 -1.26 -4.13 118.95 116.92 5rub s ARG 92 Ca 0.69 -0.70 -0.25 0.00 -0.47 0.00 0.00 55.73 55.00 5rub s ARG 92 Cb -0.22 0.31 -0.08 0.00 -0.57 0.00 0.00 34.95 34.39 5rub s ARG 92 CO 0.37 -0.22 1.21 -0.80 -1.08 0.00 0.00 175.30 174.77 5rub s ASN 93 N -2.28 6.36 0.17 -2.89 0.01 0.03 -4.91 114.94 111.41 5rub s ASN 93 Ca -0.02 2.43 0.17 0.00 -0.71 0.00 0.00 52.86 54.72 5rub s ASN 93 Cb 0.00 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 5rub s ASN 93 CO -0.06 -0.80 1.09 0.16 -1.51 0.00 0.00 177.10 175.99 5rub h ILE 94 N 2.24 0.55 -0.02 0.60 3.07 -1.95 -0.77 117.51 121.23 5rub h ILE 94 Ca -0.49 -1.92 -0.02 0.00 1.55 0.00 0.00 64.86 63.97 5rub h ILE 94 Cb 1.24 2.10 0.00 0.00 -0.27 0.00 0.00 36.82 39.90 5rub h ILE 94 CO 0.62 0.31 -0.08 0.71 -1.05 0.00 0.00 178.15 178.66 5rub h THR 95 N 0.00 1.50 0.00 0.16 1.35 -1.98 -3.41 112.91 110.54 5rub h THR 95 Ca -0.08 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 5rub h THR 95 Cb 1.43 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.38 5rub h THR 95 CO 0.05 0.43 0.00 -0.90 -0.25 0.00 0.00 175.52 174.84 5rub n ASP 96 N -4.68 0.53 0.00 5.36 5.68 -1.26 -5.03 116.55 117.15 5rub n ASP 96 Ca -0.09 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 5rub n ASP 96 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 5rub n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 5rub n GLY 97 N -0.10 0.49 3.89 6.12 0.00 -0.29 -4.97 105.19 110.32 5rub n GLY 97 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 5rub n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5rub s LYS 98 N -0.49 3.67 0.95 1.61 -0.14 -1.26 -4.50 119.74 119.57 5rub s LYS 98 Ca 0.00 0.38 -0.11 0.00 -1.36 0.00 0.00 55.97 54.88 5rub s LYS 98 Cb 0.00 -2.36 0.16 0.00 -1.68 0.00 0.00 37.83 33.94 5rub s LYS 98 CO 0.00 -0.14 1.09 0.00 -0.76 0.00 0.00 175.35 175.54 5rub s ALA 99 N -2.57 1.17 -0.02 5.17 0.00 -0.41 -0.79 121.76 124.31 5rub s ALA 99 Ca 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 5rub s ALA 99 Cb -0.10 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.78 5rub s ALA 99 CO 0.38 -2.69 0.04 0.00 0.00 0.00 0.00 175.76 173.49 5rub s MET 100 N -4.79 0.00 0.34 0.00 0.23 -1.26 -4.83 119.30 108.99 5rub s MET 100 Ca 0.65 0.13 0.14 0.00 -1.03 0.00 0.00 55.69 55.58 5rub s MET 100 Cb -0.20 -0.12 0.62 0.00 -1.53 0.00 0.00 34.83 33.59 5rub s MET 100 CO 0.58 -0.09 1.74 0.97 -2.03 0.00 0.00 175.02 176.20 5rub h ILE 101 N 5.72 1.22 -0.72 3.16 6.09 -1.98 -3.07 117.51 127.94 5rub h ILE 101 Ca -0.35 -1.60 0.11 0.00 -1.37 0.00 0.00 64.86 61.65 5rub h ILE 101 Cb 1.16 1.88 -0.08 0.00 0.47 0.00 0.00 36.82 40.26 5rub h ILE 101 CO 0.48 0.44 0.33 0.00 -3.07 0.00 0.00 178.15 176.33 5rub h ALA 102 N 1.55 0.99 -0.34 0.18 0.00 -1.99 0.15 119.26 119.80 5rub h ALA 102 Ca -0.00 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 5rub h ALA 102 Cb 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 5rub h ALA 102 CO 0.06 -0.11 -0.32 1.03 0.00 0.00 0.00 179.25 179.91 5rub h SER 103 N 0.54 0.78 -0.72 0.00 0.87 -1.89 -1.55 113.55 111.58 5rub h SER 103 Ca 0.37 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 5rub h SER 103 Cb 0.45 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 5rub h SER 103 CO -0.31 1.04 0.34 0.15 -0.53 0.00 0.00 176.83 177.51 5rub h PHE 104 N 0.63 1.05 -0.19 2.24 3.57 -1.34 -2.21 116.94 120.70 5rub h PHE 104 Ca 0.07 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 5rub h PHE 104 Cb 0.85 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 5rub h PHE 104 CO 0.04 0.78 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.62 5rub h LEU 105 N 1.01 0.51 -0.21 0.59 3.38 -0.77 -2.48 115.31 117.34 5rub h LEU 105 Ca 0.25 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.75 5rub h LEU 105 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 5rub h LEU 105 CO -0.03 0.89 0.07 0.74 0.09 0.00 0.00 178.44 180.21 5rub h THR 106 N 0.13 0.96 0.66 0.22 2.02 -1.14 0.40 112.91 116.16 5rub h THR 106 Ca 0.03 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 5rub h THR 106 Cb 0.76 0.77 0.01 0.00 -1.74 0.00 0.00 68.15 67.94 5rub h THR 106 CO 0.05 0.03 -0.32 -0.07 0.37 0.00 0.00 175.52 175.58 5rub h LEU 107 N 0.17 -0.75 -0.02 2.58 3.38 -1.47 0.37 115.31 119.57 5rub h LEU 107 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 5rub h LEU 107 Cb 0.05 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 5rub h LEU 107 CO -0.09 -0.38 -0.28 0.35 0.09 0.00 0.00 178.44 178.13 5rub n THR 108 N -5.38 0.00 -1.39 0.22 -2.24 -0.93 -4.42 114.28 100.14 5rub n THR 108 Ca -0.12 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 5rub n THR 108 Cb 0.37 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 5rub n THR 108 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 5rub n MET 109 N -1.45 0.00 0.00 -0.78 0.00 -0.20 -5.00 117.12 109.69 5rub n MET 109 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.76 5rub n MET 109 Cb 0.33 -0.31 0.00 0.00 0.00 0.00 0.00 33.22 33.25 5rub n MET 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 5rub n GLY 110 N 0.00 -0.92 0.21 -5.12 0.00 0.13 -4.69 105.19 94.79 5rub n GLY 110 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 5rub n GLY 110 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 5rub h ASN 111 N 0.00 -0.85 0.00 1.61 -1.24 -1.89 -2.87 115.58 110.34 5rub h ASN 111 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.12 5rub h ASN 111 Cb 0.00 0.35 0.00 0.00 0.73 0.00 0.00 38.32 39.40 5rub h ASN 111 CO 0.00 -0.19 0.05 -0.46 -1.29 0.00 0.00 177.43 175.54 5rub n ASN 112 N -3.92 0.00 -0.00 1.15 2.04 -1.26 0.18 115.26 113.45 5rub n ASN 112 Ca -0.02 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.19 5rub n ASN 112 Cb 0.16 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.31 5rub n ASN 112 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 5rub n GLN 113 N -0.17 1.09 -3.08 -3.83 6.02 -1.08 -4.54 117.38 111.79 5rub n GLN 113 Ca 0.00 -0.09 -0.38 0.00 -0.01 0.00 0.00 57.00 56.52 5rub n GLN 113 Cb 0.05 -1.28 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 5rub n GLN 113 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 5rub n GLY 114 N 1.57 5.19 0.00 1.08 0.00 0.48 -4.91 105.19 108.60 5rub n GLY 114 Ca -0.01 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.32 5rub n GLY 114 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 5rub n MET 115 N 1.01 3.50 0.03 1.61 1.56 -1.26 -5.10 117.12 118.47 5rub n MET 115 Ca 0.29 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.72 5rub n MET 115 Cb 0.35 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.72 5rub n MET 115 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 5rub n GLY 116 N 5.00 -0.09 0.01 -5.12 0.00 -1.26 -4.85 105.19 98.88 5rub n GLY 116 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 5rub n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 5rub n ASP 117 N -2.70 0.13 -4.48 1.61 3.85 -1.26 -4.69 116.55 109.00 5rub n ASP 117 Ca 0.00 0.43 -0.36 0.00 -0.71 0.00 0.00 54.79 54.15 5rub n ASP 117 Cb 0.00 -0.44 -0.12 0.00 -1.35 0.00 0.00 41.12 39.21 5rub n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 5rub s VAL 118 N -3.01 4.31 0.03 2.12 1.01 -1.26 0.27 120.40 123.87 5rub s VAL 118 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 5rub s VAL 118 Cb 0.18 -2.99 -0.28 0.00 0.00 0.00 0.00 36.38 33.30 5rub s VAL 118 CO 0.55 0.38 0.97 -0.08 0.00 0.00 0.00 175.10 176.93 5rub h GLU 119 N 7.79 0.25 -1.49 2.72 4.81 -0.64 -3.42 114.58 124.60 5rub h GLU 119 Ca -0.37 -0.43 0.10 0.00 -0.13 0.00 0.00 59.36 58.53 5rub h GLU 119 Cb 1.18 0.16 -0.24 0.00 0.63 0.00 0.00 28.75 30.47 5rub h GLU 119 CO 0.60 1.14 0.60 1.52 -0.73 0.00 0.00 179.01 182.15 5rub s TYR 120 N -2.63 -0.33 -0.17 0.92 -0.85 -1.17 -5.01 117.35 108.10 5rub s TYR 120 Ca -0.07 0.60 -0.08 0.00 -0.52 0.00 0.00 57.07 57.01 5rub s TYR 120 Cb 0.07 0.45 0.07 0.00 0.38 0.00 0.00 41.96 42.93 5rub s TYR 120 CO 0.87 -0.28 0.38 0.00 -1.52 0.00 0.00 175.55 174.99 5rub s ALA 121 N -0.93 -0.98 -0.06 9.51 0.00 -1.24 -0.47 121.76 127.60 5rub s ALA 121 Ca 0.00 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.38 5rub s ALA 121 Cb -0.01 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.09 5rub s ALA 121 CO -0.01 -0.46 -0.09 0.21 0.00 0.00 0.00 175.76 175.42 5rub s LYS 122 N 1.89 1.31 -0.05 0.00 2.20 0.52 -3.40 119.74 122.20 5rub s LYS 122 Ca -0.06 -0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 5rub s LYS 122 Cb -0.10 -1.16 -0.02 0.00 -1.51 0.00 0.00 37.83 35.04 5rub s LYS 122 CO -0.12 -0.03 1.00 1.41 -0.36 0.00 0.00 175.35 177.25 5rub s MET 123 N 0.81 4.49 -0.07 4.03 -2.45 -0.78 -0.36 119.30 124.98 5rub s MET 123 Ca -0.12 1.42 0.15 0.00 -1.25 0.00 0.00 55.69 55.89 5rub s MET 123 Cb -0.15 -3.50 -0.23 0.00 1.25 0.00 0.00 34.83 32.20 5rub s MET 123 CO 0.02 -0.18 0.24 0.72 1.05 0.00 0.00 175.02 176.87 5rub n HIS 124 N 4.42 0.00 -3.54 4.11 8.25 0.02 -2.26 115.22 126.22 5rub n HIS 124 Ca 0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.46 5rub n HIS 124 Cb 0.50 -0.52 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 5rub n HIS 124 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 5rub s ASP 125 N -4.26 -0.34 0.02 0.41 -1.08 -1.21 -4.62 116.67 105.59 5rub s ASP 125 Ca -0.07 -0.05 -0.12 0.00 -0.52 0.00 0.00 52.55 51.79 5rub s ASP 125 Cb 0.08 0.40 0.02 0.00 -1.46 0.00 0.00 42.92 41.96 5rub s ASP 125 CO 0.66 -0.66 0.26 0.72 0.52 0.00 0.00 175.17 176.67 5rub s PHE 126 N -3.15 -0.08 -0.12 -5.34 -0.12 -1.26 -1.36 117.98 106.56 5rub s PHE 126 Ca 0.06 -0.01 0.03 0.00 -0.05 0.00 0.00 56.93 56.96 5rub s PHE 126 Cb -0.01 0.05 -0.00 0.00 -0.63 0.00 0.00 43.02 42.43 5rub s PHE 126 CO -0.08 -0.43 -0.21 -0.47 -0.05 0.00 0.00 175.22 173.99 5rub s TYR 127 N -2.07 2.65 -0.22 3.49 5.04 0.11 -4.88 117.35 121.47 5rub s TYR 127 Ca -0.09 -1.00 -0.04 0.00 -2.44 0.00 0.00 57.07 53.51 5rub s TYR 127 Cb -0.03 -1.77 -0.01 0.00 0.35 0.00 0.00 41.96 40.51 5rub s TYR 127 CO -0.01 -0.40 -0.04 0.14 -1.34 0.00 0.00 175.55 173.90 5rub s VAL 128 N 0.44 3.36 1.02 3.14 -7.23 -1.26 -1.65 120.40 118.23 5rub s VAL 128 Ca -0.15 -0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 59.40 5rub s VAL 128 Cb -0.17 -2.53 0.20 0.00 0.56 0.00 0.00 36.38 34.44 5rub s VAL 128 CO 0.06 0.42 1.09 -2.16 -0.31 0.00 0.00 175.10 174.20 5rub s PRO 129 N 1.47 0.23 0.16 4.82 0.04 -1.26 -4.70 135.00 135.77 5rub s PRO 129 Ca 0.06 0.54 -0.15 0.00 0.04 0.00 0.00 61.00 61.49 5rub s PRO 129 Cb -0.14 -1.71 0.09 0.00 0.04 0.00 0.00 34.50 32.77 5rub s PRO 129 CO -0.03 -2.87 1.76 0.93 0.04 0.00 0.00 177.00 176.83 5rub h GLU 130 N -1.99 0.34 -0.87 4.56 3.07 -1.94 -0.86 114.58 116.89 5rub h GLU 130 Ca -0.55 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.33 5rub h GLU 130 Cb 1.33 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 29.11 5rub h GLU 130 CO 0.57 0.22 0.57 0.00 -1.40 0.00 0.00 179.01 178.97 5rub h ALA 131 N 1.25 1.48 0.16 3.43 0.00 -1.93 -0.61 119.26 123.04 5rub h ALA 131 Ca 0.18 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 5rub h ALA 131 Cb 0.14 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 17.66 5rub h ALA 131 CO -0.16 0.43 -1.03 -0.92 0.00 0.00 0.00 179.25 177.56 5rub h TYR 132 N 1.06 0.63 -0.77 0.00 -0.00 -1.85 -3.31 116.97 112.73 5rub h TYR 132 Ca 0.35 -0.46 0.06 0.00 -0.00 0.00 0.00 58.73 58.69 5rub h TYR 132 Cb 0.06 -0.03 -0.06 0.00 -0.00 0.00 0.00 36.73 36.71 5rub h TYR 132 CO -0.00 1.40 0.46 -0.09 -0.00 0.00 0.00 178.16 179.92 5rub h ARG 133 N -0.25 0.80 0.00 1.82 1.12 -0.92 -1.01 114.38 115.93 5rub h ARG 133 Ca -0.19 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.63 5rub h ARG 133 Cb 1.77 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.55 5rub h ARG 133 CO 0.17 0.53 0.00 0.00 -3.11 0.00 0.00 179.97 177.56 5rub n ALA 134 N -2.36 1.14 1.28 2.80 0.00 -0.26 -1.46 120.51 121.66 5rub n ALA 134 Ca 0.11 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.84 5rub n ALA 134 Cb 0.19 -1.29 0.35 0.00 0.00 0.00 0.00 19.45 18.69 5rub n ALA 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 5rub n LEU 135 N -2.16 1.77 -4.87 0.00 4.77 -0.38 -4.89 117.00 111.23 5rub n LEU 135 Ca -0.01 -0.58 -0.31 0.00 -0.03 0.00 0.00 56.01 55.08 5rub n LEU 135 Cb 0.06 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 5rub n LEU 135 CO 0.10 0.30 0.33 -0.36 -1.33 0.00 0.00 177.39 176.44 5rub s PHE 136 N -2.16 3.44 0.07 -1.77 0.40 -0.54 -1.29 117.98 116.12 5rub s PHE 136 Ca 0.31 0.96 -0.35 0.00 -0.60 0.00 0.00 56.93 57.25 5rub s PHE 136 Cb 0.20 -2.35 -0.20 0.00 0.51 0.00 0.00 43.02 41.18 5rub s PHE 136 CO 0.39 0.09 1.61 -0.44 0.70 0.00 0.00 175.22 177.57 5rub h ASP 137 N 1.90 -0.91 -3.78 1.36 3.45 -1.86 -3.49 116.42 113.09 5rub h ASP 137 Ca -0.47 0.03 0.16 0.00 0.43 0.00 0.00 57.03 57.17 5rub h ASP 137 Cb 1.18 0.24 -0.06 0.00 -0.56 0.00 0.00 39.33 40.12 5rub h ASP 137 CO 0.66 -0.65 -0.40 0.61 -1.57 0.00 0.00 179.24 177.90 5rub n GLY 138 N -1.55 -2.31 3.77 2.75 0.00 -0.21 -4.85 105.19 102.79 5rub n GLY 138 Ca -0.15 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 5rub n GLY 138 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 5rub s PRO 139 N -2.63 3.81 -0.12 1.61 0.02 -1.23 -4.14 135.00 132.33 5rub s PRO 139 Ca 0.00 1.91 -0.02 0.00 0.02 0.00 0.00 61.00 62.92 5rub s PRO 139 Cb 0.00 -2.53 -0.25 0.00 0.02 0.00 0.00 34.50 31.74 5rub s PRO 139 CO 0.00 -0.54 0.37 0.45 -0.33 0.00 0.00 177.00 176.95 5rub n SER 140 N -0.27 1.81 -3.88 2.53 2.88 -1.26 -4.51 113.62 110.91 5rub n SER 140 Ca 0.06 0.22 -0.09 0.00 -1.33 0.00 0.00 58.87 57.73 5rub n SER 140 Cb 0.46 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 63.22 5rub n SER 140 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 5rub s VAL 141 N -2.56 0.14 0.00 2.46 0.11 -1.26 -4.99 120.40 114.30 5rub s VAL 141 Ca -0.20 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 5rub s VAL 141 Cb 0.07 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 5rub s VAL 141 CO 0.77 -0.64 0.00 -0.46 -3.33 0.00 0.00 175.10 171.44 5rub n ASN 142 N 0.22 0.00 -0.04 3.54 0.23 -1.26 -4.32 115.26 113.63 5rub n ASN 142 Ca -0.16 -0.27 0.24 0.00 -0.53 0.00 0.00 54.58 53.86 5rub n ASN 142 Cb 0.61 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 39.02 5rub n ASN 142 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 5rub h ILE 143 N 0.27 0.41 0.00 1.53 2.10 -1.90 -1.04 117.51 118.88 5rub h ILE 143 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 5rub h ILE 143 Cb 0.00 0.56 -0.00 0.00 -1.09 0.00 0.00 36.82 36.29 5rub h ILE 143 CO 0.00 0.00 -0.00 0.77 -1.08 0.00 0.00 178.15 177.84 5rub h SER 144 N 0.00 0.00 0.15 2.19 4.64 -1.95 0.22 113.55 118.80 5rub h SER 144 Ca 0.31 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.43 5rub h SER 144 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 5rub h SER 144 CO -0.00 0.00 -0.77 0.00 -0.87 0.00 0.00 176.83 175.19 5rub h ALA 145 N 2.00 0.49 -0.03 5.18 0.00 -1.57 -2.18 119.26 123.15 5rub h ALA 145 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 5rub h ALA 145 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 5rub h ALA 145 CO 0.00 0.75 -0.09 -0.07 0.00 0.00 0.00 179.25 179.83 5rub h LEU 146 N 0.35 0.14 -0.23 0.00 3.38 -0.91 -2.87 115.31 115.15 5rub h LEU 146 Ca -0.04 -0.61 0.06 0.00 0.09 0.00 0.00 57.88 57.38 5rub h LEU 146 Cb 1.37 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 42.01 5rub h LEU 146 CO 0.14 0.72 -0.22 -0.50 0.09 0.00 0.00 178.44 178.67 5rub h TRP 147 N -0.44 -0.58 -0.33 1.13 6.55 -0.67 0.70 115.95 122.31 5rub h TRP 147 Ca -0.00 0.04 0.07 0.00 0.95 0.00 0.00 58.89 59.95 5rub h TRP 147 Cb 0.71 0.29 -0.08 0.00 -0.86 0.00 0.00 29.16 29.22 5rub h TRP 147 CO 0.13 -0.30 -0.21 -0.22 -1.05 0.00 0.00 178.44 176.79 5rub h LYS 148 N -0.23 -0.17 -0.38 0.49 3.64 -1.46 0.04 116.57 118.51 5rub h LYS 148 Ca 0.13 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 5rub h LYS 148 Cb 0.44 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 5rub h LYS 148 CO -0.37 -0.11 0.23 0.28 -2.27 0.00 0.00 179.45 177.21 5rub h VAL 149 N -0.17 1.06 0.00 2.00 2.07 -1.07 -2.56 116.25 117.58 5rub h VAL 149 Ca 0.17 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.53 5rub h VAL 149 Cb 0.43 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 5rub h VAL 149 CO -0.43 0.09 0.00 0.18 0.02 0.00 0.00 177.57 177.42 5rub n LEU 150 N -4.86 0.00 -0.23 2.57 4.77 0.15 -4.74 117.00 114.65 5rub n LEU 150 Ca 0.00 0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 56.32 5rub n LEU 150 Cb 0.04 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.77 5rub n LEU 150 CO 0.33 -0.19 -0.03 0.61 -1.33 0.00 0.00 177.39 176.79 5rub n GLY 151 N -0.06 0.35 3.96 -0.72 0.00 -0.25 -4.80 105.19 103.67 5rub n GLY 151 Ca 0.06 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 5rub n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 5rub s ARG 152 N -3.62 3.44 0.50 1.61 0.52 -0.38 -5.01 118.95 116.01 5rub s ARG 152 Ca 0.00 -0.63 -0.23 0.00 -0.52 0.00 0.00 55.73 54.35 5rub s ARG 152 Cb 0.00 -2.81 -0.06 0.00 0.52 0.00 0.00 34.95 32.59 5rub s ARG 152 CO 0.00 0.33 1.30 -1.25 0.02 0.00 0.00 175.30 175.70 5rub s PRO 153 N -4.10 3.46 0.00 3.54 0.04 -1.26 -4.15 135.00 132.53 5rub s PRO 153 Ca 0.36 2.11 0.26 0.00 0.04 0.00 0.00 61.00 63.77 5rub s PRO 153 Cb -0.09 -2.39 1.42 0.00 0.04 0.00 0.00 34.50 33.47 5rub s PRO 153 CO 0.31 -0.89 1.91 0.39 0.04 0.00 0.00 177.00 178.76 5rub n GLU 154 N -0.67 0.53 -4.09 4.56 1.02 -1.26 -3.09 120.64 117.64 5rub n GLU 154 Ca 0.08 0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.93 5rub n GLU 154 Cb 0.45 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.21 5rub n GLU 154 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 5rub s VAL 155 N -2.38 1.92 -1.46 2.62 1.01 -1.26 -4.75 120.40 116.10 5rub s VAL 155 Ca 0.30 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 5rub s VAL 155 Cb 0.18 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.85 5rub s VAL 155 CO 0.37 0.50 1.06 0.47 0.00 0.00 0.00 175.10 177.50 5rub n ASP 156 N 4.66 -5.34 0.26 3.32 8.00 -1.26 -4.86 116.55 121.33 5rub n ASP 156 Ca -0.20 -0.69 0.18 0.00 0.71 0.00 0.00 54.79 54.79 5rub n ASP 156 Cb 0.50 -4.35 0.93 0.00 -0.02 0.00 0.00 41.12 38.18 5rub n ASP 156 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 5rub h GLY 157 N -2.33 0.00 0.00 0.44 0.00 -1.84 -3.47 103.07 95.88 5rub h GLY 157 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.75 5rub h GLY 157 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 5rub n GLY 158 N -1.07 -1.19 3.73 4.60 0.00 -1.26 -4.76 105.19 105.23 5rub n GLY 158 Ca -0.02 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 5rub n GLY 158 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 5rub s LEU 159 N 0.00 4.39 -0.25 0.99 2.96 -0.46 -4.28 118.68 122.03 5rub s LEU 159 Ca 0.00 2.40 -0.06 0.00 -0.22 0.00 0.00 54.13 56.26 5rub s LEU 159 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 5rub s LEU 159 CO 0.00 -0.60 0.03 -0.69 -1.32 0.00 0.00 176.35 173.76 5rub s VAL 160 N 0.53 3.79 -0.35 1.68 1.01 -0.71 -5.02 120.40 121.33 5rub s VAL 160 Ca 0.60 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 5rub s VAL 160 Cb -0.37 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 5rub s VAL 160 CO 0.35 0.28 0.39 -0.69 0.00 0.00 0.00 175.10 175.43 5rub s VAL 161 N 1.51 5.14 0.00 2.92 1.01 -1.26 -0.64 120.40 129.08 5rub s VAL 161 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.09 5rub s VAL 161 Cb -0.16 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.37 5rub s VAL 161 CO 0.00 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.58 5rub n GLY 162 N 4.94 4.36 3.42 4.51 0.00 0.28 -0.51 105.19 122.19 5rub n GLY 162 Ca -0.08 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 5rub n GLY 162 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 5rub n THR 163 N 0.00 0.00 -5.06 2.61 5.66 -0.71 -1.31 114.28 115.46 5rub n THR 163 Ca 0.00 -1.22 -0.32 0.00 -3.05 0.00 0.00 64.05 59.46 5rub n THR 163 Cb 0.00 0.98 -0.16 0.00 -1.55 0.00 0.00 70.33 69.60 5rub n THR 163 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 5rub s ILE 164 N -2.40 2.43 0.26 1.09 1.01 -1.26 -1.78 121.20 120.56 5rub s ILE 164 Ca 0.20 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 5rub s ILE 164 Cb -0.03 -1.96 -0.09 0.00 0.01 0.00 0.00 42.46 40.38 5rub s ILE 164 CO 0.14 0.55 1.17 -0.63 0.00 0.00 0.00 174.94 176.18 5rub s ILE 165 N 0.26 3.36 0.25 2.92 -1.09 -1.21 -4.98 121.20 120.70 5rub s ILE 165 Ca -0.14 1.29 0.10 0.00 -2.23 0.00 0.00 60.65 59.67 5rub s ILE 165 Cb -0.17 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 5rub s ILE 165 CO 0.07 0.28 -0.17 -0.54 -1.23 0.00 0.00 174.94 173.34 5rub s LYS 166 N -1.13 1.53 0.97 2.79 -0.14 -1.26 -4.42 119.74 118.08 5rub s LYS 166 Ca 0.48 -1.69 -0.11 0.00 -1.36 0.00 0.00 55.97 53.29 5rub s LYS 166 Cb -0.34 -1.48 0.18 0.00 -1.68 0.00 0.00 37.83 34.51 5rub s LYS 166 CO 0.42 0.26 1.09 -1.25 -0.76 0.00 0.00 175.35 175.11 5rub s PRO 167 N -3.57 0.59 0.18 -1.68 0.04 -1.26 -5.02 135.00 124.27 5rub s PRO 167 Ca 0.27 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.22 5rub s PRO 167 Cb -0.03 -1.71 0.13 0.00 0.04 0.00 0.00 34.50 32.93 5rub s PRO 167 CO 0.11 -2.78 1.60 -0.22 0.04 0.00 0.00 177.00 175.75 5rub h LYS 168 N -1.96 -0.15 -3.79 4.56 3.64 -1.99 -3.43 116.57 113.45 5rub h LYS 168 Ca -0.50 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 5rub h LYS 168 Cb 1.29 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 33.00 5rub h LYS 168 CO 0.48 -0.10 -0.40 -0.51 -2.27 0.00 0.00 179.45 176.66 5rub s LEU 169 N -10.70 1.49 0.00 5.20 1.43 -1.26 -4.65 118.68 110.19 5rub s LEU 169 Ca -0.14 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 5rub s LEU 169 Cb 0.16 0.96 0.00 0.00 0.03 0.00 0.00 46.19 47.34 5rub s LEU 169 CO 0.70 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 177.20 5rub n GLY 170 N 0.11 2.52 3.74 -3.19 0.00 -1.26 -5.12 105.19 102.00 5rub n GLY 170 Ca -0.16 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 5rub n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5rub s LEU 171 N 0.00 4.43 0.86 0.99 1.43 -1.26 -5.02 118.68 120.11 5rub s LEU 171 Ca 0.00 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.35 5rub s LEU 171 Cb 0.00 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.71 5rub s LEU 171 CO 0.00 -0.46 1.10 -0.13 0.23 0.00 0.00 176.35 177.09 5rub s ARG 172 N -0.34 1.60 0.14 1.70 1.81 -1.26 -4.72 118.95 117.87 5rub s ARG 172 Ca 0.54 0.71 -0.27 0.00 -1.72 0.00 0.00 55.73 54.99 5rub s ARG 172 Cb -0.35 -1.86 -0.03 0.00 -0.45 0.00 0.00 34.95 32.26 5rub s ARG 172 CO 0.39 -1.97 1.60 -1.35 -0.68 0.00 0.00 175.30 173.28 5rub h PRO 173 N -1.35 -0.42 0.62 3.54 0.11 -1.92 -0.79 132.00 131.79 5rub h PRO 173 Ca -0.49 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 5rub h PRO 173 Cb 1.28 0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.49 5rub h PRO 173 CO 0.57 -0.28 -0.30 -0.22 -0.21 0.00 0.00 178.00 177.56 5rub h LYS 174 N -0.44 -0.81 -0.99 1.05 3.11 -1.93 -1.46 116.57 115.10 5rub h LYS 174 Ca 0.09 0.06 0.22 0.00 -2.81 0.00 0.00 60.65 58.21 5rub h LYS 174 Cb 0.59 0.18 -0.09 0.00 -1.00 0.00 0.00 32.23 31.91 5rub h LYS 174 CO -0.38 -0.51 0.63 -1.35 -2.81 0.00 0.00 179.45 175.02 5rub h PRO 175 N -0.91 0.52 0.24 1.90 0.11 -1.94 -1.01 132.00 130.91 5rub h PRO 175 Ca -0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 5rub h PRO 175 Cb 0.67 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.66 5rub h PRO 175 CO 0.14 0.34 -0.11 0.35 -0.21 0.00 0.00 178.00 178.51 5rub h PHE 176 N 0.53 -0.30 -0.69 0.65 3.04 -0.82 -2.23 116.94 117.13 5rub h PHE 176 Ca 0.56 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.54 5rub h PHE 176 Cb 1.20 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.77 5rub h PHE 176 CO -0.00 0.02 0.45 0.00 -2.02 0.00 0.00 178.31 176.76 5rub h ALA 177 N 0.04 1.63 -0.09 2.41 0.00 -0.43 -2.18 119.26 120.63 5rub h ALA 177 Ca -0.03 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 5rub h ALA 177 Cb 0.45 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.03 5rub h ALA 177 CO 0.05 0.29 -0.71 0.93 0.00 0.00 0.00 179.25 179.82 5rub h GLU 178 N 0.81 0.64 -0.91 0.00 4.39 -1.21 -1.59 114.58 116.71 5rub h GLU 178 Ca 0.28 -0.57 0.08 0.00 0.34 0.00 0.00 59.36 59.49 5rub h GLU 178 Cb 0.09 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.81 5rub h GLU 178 CO -0.08 1.18 0.56 0.00 -1.16 0.00 0.00 179.01 179.51 5rub h ALA 179 N 0.47 1.28 0.02 3.43 0.00 -1.18 0.18 119.26 123.46 5rub h ALA 179 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 5rub h ALA 179 Cb 1.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 5rub h ALA 179 CO 0.14 0.27 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 5rub h HIS 181 N -0.07 -0.36 -0.03 0.00 6.17 -0.33 -1.89 115.15 118.63 5rub h HIS 181 Ca 0.01 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.15 5rub h HIS 181 Cb 0.07 0.20 -0.05 0.00 2.52 0.00 0.00 27.41 30.16 5rub h HIS 181 CO -0.10 -0.22 -0.24 0.00 0.71 0.00 0.00 177.93 178.08 5rub h ALA 182 N 1.05 -0.30 -0.60 5.26 0.00 -0.59 -2.58 119.26 121.50 5rub h ALA 182 Ca 0.14 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 5rub h ALA 182 Cb 0.33 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 5rub h ALA 182 CO -0.33 -0.73 0.10 0.35 0.00 0.00 0.00 179.25 178.64 5rub h PHE 183 N -0.36 1.01 0.00 0.00 3.57 -1.22 -2.81 116.94 117.12 5rub h PHE 183 Ca 0.07 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.45 5rub h PHE 183 Cb 0.46 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.92 5rub h PHE 183 CO -0.30 0.86 0.00 -1.49 -2.23 0.00 0.00 178.31 175.15 5rub h TRP 184 N 0.91 0.00 0.00 0.41 6.55 -0.94 0.22 115.95 123.10 5rub h TRP 184 Ca 0.19 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.95 5rub h TRP 184 Cb 0.39 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.67 5rub h TRP 184 CO 0.03 0.00 -0.38 -0.07 -1.05 0.00 0.00 178.44 176.97 5rub h LEU 185 N 0.00 0.00 0.00 -4.49 3.38 -1.34 -3.36 115.31 109.50 5rub h LEU 185 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 5rub h LEU 185 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 5rub h LEU 185 CO 0.00 0.38 -1.36 0.61 0.09 0.00 0.00 178.44 178.16 5rub n GLY 186 N 0.33 -0.19 3.83 0.83 0.00 -0.65 -5.05 105.19 104.29 5rub n GLY 186 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 5rub n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 5rub s GLY 187 N -3.98 2.62 -0.22 -0.02 0.00 0.69 -4.03 107.32 102.38 5rub s GLY 187 Ca -0.05 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.68 5rub s GLY 187 CO 0.19 -2.04 -0.06 1.22 0.00 0.00 0.00 173.10 172.41 5rub n ASP 188 N -1.51 1.63 -4.05 1.64 10.43 0.33 -4.43 116.55 120.59 5rub n ASP 188 Ca -0.08 -0.05 -0.21 0.00 2.57 0.00 0.00 54.79 57.02 5rub n ASP 188 Cb 0.65 -0.22 -0.15 0.00 1.84 0.00 0.00 41.12 43.24 5rub n ASP 188 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 5rub s PHE 189 N -2.52 1.05 -0.02 1.24 2.19 -0.77 -0.20 117.98 118.95 5rub s PHE 189 Ca -0.28 -0.22 0.03 0.00 0.33 0.00 0.00 56.93 56.79 5rub s PHE 189 Cb 0.08 -0.70 -0.00 0.00 -1.31 0.00 0.00 43.02 41.09 5rub s PHE 189 CO 0.67 -0.05 -0.12 0.42 1.83 0.00 0.00 175.22 177.98 5rub s ILE 190 N -0.14 0.97 0.12 3.12 1.01 -0.83 -1.74 121.20 123.71 5rub s ILE 190 Ca 0.02 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.27 5rub s ILE 190 Cb -0.06 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 5rub s ILE 190 CO -0.00 0.29 -0.20 -1.59 0.00 0.00 0.00 174.94 173.44 5rub s LYS 191 N -0.06 1.73 0.69 2.79 -2.85 -0.73 -0.04 119.74 121.27 5rub s LYS 191 Ca 0.01 -1.20 -0.16 0.00 -1.00 0.00 0.00 55.97 53.62 5rub s LYS 191 Cb -0.07 -2.08 0.02 0.00 -2.06 0.00 0.00 37.83 33.64 5rub s LYS 191 CO 0.00 0.48 1.18 -0.80 0.10 0.00 0.00 175.35 176.31 5rub s ASN 192 N -2.10 4.56 0.54 0.03 0.02 0.08 -3.29 114.94 114.78 5rub s ASN 192 Ca 0.17 2.27 -0.18 0.00 -1.02 0.00 0.00 52.86 54.10 5rub s ASN 192 Cb -0.10 -2.58 -0.06 0.00 0.02 0.00 0.00 41.25 38.53 5rub s ASN 192 CO 0.09 -2.01 1.07 -0.62 0.02 0.00 0.00 177.10 175.65 5rub s ASP 193 N -2.10 5.96 0.28 -1.22 -1.08 -1.26 -4.88 116.67 112.37 5rub s ASP 193 Ca 0.73 1.95 -0.03 0.00 -0.52 0.00 0.00 52.55 54.67 5rub s ASP 193 Cb -0.27 -2.56 0.58 0.00 -1.46 0.00 0.00 42.92 39.21 5rub s ASP 193 CO 0.42 -1.05 1.59 1.05 0.52 0.00 0.00 175.17 177.71 5rub h GLU 194 N 1.03 0.04 0.00 4.34 -0.00 -1.94 -2.29 114.58 115.76 5rub h GLU 194 Ca -0.49 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 5rub h GLU 194 Cb 1.23 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 5rub h GLU 194 CO 0.58 0.03 -0.32 -1.00 -0.00 0.00 0.00 179.01 178.29 5rub h PRO 195 N 0.04 0.00 -6.52 1.06 0.14 -1.91 -3.47 132.00 121.34 5rub h PRO 195 Ca 0.51 0.00 -0.53 0.00 0.14 0.00 0.00 66.00 66.12 5rub h PRO 195 Cb 0.95 0.00 0.04 0.00 0.14 0.00 0.00 31.00 32.13 5rub h PRO 195 CO -0.85 0.00 1.05 -0.65 0.14 0.00 0.00 178.00 177.69 5rub s GLN 196 N -3.19 4.16 0.00 0.86 -0.21 -0.86 -4.82 119.66 115.60 5rub s GLN 196 Ca 0.07 2.51 0.00 0.00 0.02 0.00 0.00 55.36 57.96 5rub s GLN 196 Cb 0.10 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.62 5rub s GLN 196 CO 0.68 -0.78 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 5rub n GLY 197 N 4.10 1.43 2.47 3.09 0.00 -1.26 -4.71 105.19 110.32 5rub n GLY 197 Ca 0.17 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 5rub n GLY 197 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 5rub n ASN 198 N 0.00 6.34 -4.75 1.61 5.15 -1.26 -3.24 115.26 119.11 5rub n ASN 198 Ca 0.00 -3.78 -0.38 0.00 -0.60 0.00 0.00 54.58 49.82 5rub n ASN 198 Cb 0.00 -0.74 0.04 0.00 -0.53 0.00 0.00 39.78 38.54 5rub n ASN 198 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 5rub s GLN 199 N -3.78 3.19 0.55 1.20 1.11 -1.25 -4.66 119.66 116.01 5rub s GLN 199 Ca 0.54 2.19 0.24 0.00 0.01 0.00 0.00 55.36 58.35 5rub s GLN 199 Cb 0.44 -2.27 1.55 0.00 -1.01 0.00 0.00 33.01 31.73 5rub s GLN 199 CO -0.16 -1.14 2.18 -1.00 0.01 0.00 0.00 175.29 175.18 5rub h PRO 200 N 1.50 0.00 -0.01 2.91 0.13 -2.00 -2.04 132.00 132.50 5rub h PRO 200 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 5rub h PRO 200 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 5rub h PRO 200 CO 0.57 0.03 -0.17 1.97 -0.23 0.00 0.00 178.00 180.18 5rub n PHE 201 N -4.06 0.00 -2.80 1.56 -1.74 -1.26 -4.37 117.46 104.79 5rub n PHE 201 Ca -0.03 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.76 5rub n PHE 201 Cb 0.12 -0.15 0.04 0.00 1.52 0.00 0.00 39.48 41.01 5rub n PHE 201 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 5rub n ALA 202 N -0.79 -0.86 -1.66 1.98 0.00 -0.81 -4.46 120.51 113.90 5rub n ALA 202 Ca 0.14 -1.64 -0.46 0.00 0.00 0.00 0.00 53.44 51.47 5rub n ALA 202 Cb 0.31 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 5rub n ALA 202 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 5rub n PRO 203 N 1.35 2.08 -0.25 0.00 -0.02 -0.94 -3.89 135.00 133.33 5rub n PRO 203 Ca 0.10 0.75 0.06 0.00 -2.02 0.00 0.00 63.50 62.39 5rub n PRO 203 Cb 0.63 -2.51 0.19 0.00 -0.02 0.00 0.00 33.50 31.80 5rub n PRO 203 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 5rub h LEU 204 N 5.82 0.10 -0.79 2.45 6.46 -1.81 -0.23 115.31 127.32 5rub h LEU 204 Ca -0.45 0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.39 5rub h LEU 204 Cb 1.26 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 41.32 5rub h LEU 204 CO 0.88 -0.00 0.26 0.03 -0.62 0.00 0.00 178.44 178.99 5rub h ARG 205 N 0.32 1.16 0.02 1.25 3.08 -1.90 -2.00 114.38 116.32 5rub h ARG 205 Ca 0.43 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 5rub h ARG 205 Cb 0.72 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.59 5rub h ARG 205 CO -0.48 0.97 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.94 5rub h ASP 206 N 1.12 -0.03 0.10 7.04 3.32 -1.68 -2.95 116.42 123.34 5rub h ASP 206 Ca 0.25 -0.60 0.02 0.00 0.02 0.00 0.00 57.03 56.72 5rub h ASP 206 Cb 0.28 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 5rub h ASP 206 CO -0.01 0.60 -0.35 0.74 -1.72 0.00 0.00 179.24 178.50 5rub h THR 207 N -0.68 0.26 -0.91 0.35 2.02 -1.06 -2.61 112.91 110.28 5rub h THR 207 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 5rub h THR 207 Cb 0.63 0.26 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 5rub h THR 207 CO 0.01 0.00 0.57 0.40 0.37 0.00 0.00 175.52 176.87 5rub h ILE 208 N -0.57 1.04 -0.43 3.11 1.08 -1.48 0.10 117.51 120.37 5rub h ILE 208 Ca 0.03 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 5rub h ILE 208 Cb 0.61 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 5rub h ILE 208 CO -0.22 0.19 0.21 0.00 -0.69 0.00 0.00 178.15 177.63 5rub h ALA 209 N 1.43 0.55 -0.43 1.87 0.00 -1.34 -1.20 119.26 120.15 5rub h ALA 209 Ca 0.40 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 5rub h ALA 209 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 5rub h ALA 209 CO -0.19 0.11 -0.24 -0.07 0.00 0.00 0.00 179.25 178.86 5rub h LEU 210 N 0.55 0.91 -0.79 0.00 3.38 -1.03 -2.86 115.31 115.45 5rub h LEU 210 Ca 0.15 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 5rub h LEU 210 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 5rub h LEU 210 CO -0.02 1.10 -0.21 0.58 0.09 0.00 0.00 178.44 179.98 5rub h VAL 211 N 0.76 1.27 -0.48 1.22 2.07 -0.45 -2.06 116.25 118.58 5rub h VAL 211 Ca 0.10 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 5rub h VAL 211 Cb 0.79 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 5rub h VAL 211 CO 0.07 0.42 0.02 0.00 0.02 0.00 0.00 177.57 178.09 5rub h ALA 212 N 1.17 1.13 -0.09 1.67 0.00 -1.11 -1.48 119.26 120.54 5rub h ALA 212 Ca 0.09 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 5rub h ALA 212 Cb 0.68 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.29 5rub h ALA 212 CO 0.05 0.56 -0.84 -0.44 0.00 0.00 0.00 179.25 178.59 5rub h ASP 213 N 0.74 0.81 0.36 0.00 3.45 -1.29 -2.66 116.42 117.82 5rub h ASP 213 Ca 0.15 -0.56 -0.04 0.00 0.43 0.00 0.00 57.03 57.01 5rub h ASP 213 Cb 0.43 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 5rub h ASP 213 CO 0.02 1.35 -0.18 0.00 -1.57 0.00 0.00 179.24 178.85 5rub h ALA 214 N 0.62 1.38 -0.01 3.45 0.00 -1.06 -1.54 119.26 122.10 5rub h ALA 214 Ca -0.07 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 5rub h ALA 214 Cb 1.46 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.23 5rub h ALA 214 CO 0.16 0.23 -0.47 1.98 0.00 0.00 0.00 179.25 181.15 5rub h MET 215 N 0.00 0.33 -0.27 0.00 1.85 -1.17 -1.82 114.93 113.86 5rub h MET 215 Ca -0.00 -0.35 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 5rub h MET 215 Cb 0.41 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 5rub h MET 215 CO 0.02 1.04 0.18 0.00 -0.40 0.00 0.00 176.91 177.75 5rub h ARG 216 N -0.23 0.36 0.25 0.39 3.08 -1.09 -1.79 114.38 115.35 5rub h ARG 216 Ca -0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 5rub h ARG 216 Cb 1.20 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.17 5rub h ARG 216 CO 0.09 0.25 -0.12 0.00 -1.07 0.00 0.00 179.97 179.13 5rub h ARG 217 N 0.36 -0.32 -0.73 0.04 3.08 -1.38 -1.28 114.38 114.15 5rub h ARG 217 Ca 0.10 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.28 5rub h ARG 217 Cb -0.03 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 5rub h ARG 217 CO -0.02 -0.08 0.36 0.00 -1.07 0.00 0.00 179.97 179.16 5rub h ALA 218 N 0.17 1.02 -0.35 0.04 0.00 -1.32 -0.64 119.26 118.17 5rub h ALA 218 Ca -0.03 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 5rub h ALA 218 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 5rub h ALA 218 CO 0.06 -0.07 -0.13 1.96 0.00 0.00 0.00 179.25 181.07 5rub h GLN 219 N 0.58 0.71 -0.39 0.00 4.20 -1.22 -2.38 115.11 116.61 5rub h GLN 219 Ca 0.37 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 5rub h GLN 219 Cb 0.43 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 5rub h GLN 219 CO -0.30 0.89 -0.21 -0.44 -0.67 0.00 0.00 178.83 178.10 5rub h ASP 220 N 0.49 0.76 1.47 1.46 3.45 -0.76 -1.87 116.42 121.43 5rub h ASP 220 Ca 0.08 -0.27 -0.07 0.00 0.43 0.00 0.00 57.03 57.20 5rub h ASP 220 Cb 0.65 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 5rub h ASP 220 CO 0.04 0.96 -0.34 -0.33 -1.57 0.00 0.00 179.24 178.00 5rub h GLU 221 N 0.66 0.00 0.00 3.56 5.08 -1.06 -3.34 114.58 119.48 5rub h GLU 221 Ca 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 5rub h GLU 221 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 5rub h GLU 221 CO 0.05 0.34 -1.84 2.41 -1.00 0.00 0.00 179.01 178.98 5rub n THR 222 N -3.24 0.24 -1.49 1.13 -1.04 -0.90 -4.99 114.28 104.00 5rub n THR 222 Ca 0.02 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.05 61.46 5rub n THR 222 Cb 0.63 -0.04 -0.04 0.00 -1.82 0.00 0.00 70.33 69.05 5rub n THR 222 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 5rub n GLY 223 N 1.66 1.08 3.28 3.41 0.00 -0.70 -5.02 105.19 108.89 5rub n GLY 223 Ca -0.08 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 5rub n GLY 223 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5rub s GLU 224 N -3.27 1.10 0.31 1.61 2.02 -1.22 -5.06 118.70 114.20 5rub s GLU 224 Ca 0.00 -1.17 -0.27 0.00 0.02 0.00 0.00 54.97 53.55 5rub s GLU 224 Cb 0.00 -1.29 -0.10 0.00 0.10 0.00 0.00 34.13 32.85 5rub s GLU 224 CO 0.00 0.29 0.97 0.00 0.02 0.00 0.00 175.26 176.54 5rub s ALA 225 N -1.33 3.23 0.15 5.21 0.00 -1.26 -4.39 121.76 123.36 5rub s ALA 225 Ca 0.07 0.60 0.10 0.00 0.00 0.00 0.00 51.96 52.72 5rub s ALA 225 Cb -0.09 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 5rub s ALA 225 CO 0.04 0.10 -0.18 0.15 0.00 0.00 0.00 175.76 175.87 5rub s LYS 226 N -1.90 1.75 0.08 0.00 -0.14 -1.26 -4.88 119.74 113.38 5rub s LYS 226 Ca 0.49 -1.28 0.09 0.00 -1.36 0.00 0.00 55.97 53.90 5rub s LYS 226 Cb -0.22 -2.05 -0.03 0.00 -1.68 0.00 0.00 37.83 33.85 5rub s LYS 226 CO 0.27 0.45 -0.23 -0.51 -0.76 0.00 0.00 175.35 174.58 5rub s LEU 227 N -2.37 2.24 -0.03 3.17 1.43 0.72 -4.83 118.68 119.01 5rub s LEU 227 Ca 0.19 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 5rub s LEU 227 Cb -0.10 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.10 5rub s LEU 227 CO 0.11 0.14 -0.11 0.12 0.23 0.00 0.00 176.35 176.83 5rub s PHE 228 N -0.98 1.17 -0.40 0.29 5.36 -0.89 -1.96 117.98 120.58 5rub s PHE 228 Ca 0.09 -0.31 -0.07 0.00 -0.96 0.00 0.00 56.93 55.68 5rub s PHE 228 Cb -0.10 -0.82 0.08 0.00 -0.34 0.00 0.00 43.02 41.85 5rub s PHE 228 CO 0.03 -0.12 0.21 0.45 -1.46 0.00 0.00 175.22 174.34 5rub s SER 229 N 0.15 5.46 -0.21 6.13 0.15 0.95 -0.24 113.70 126.09 5rub s SER 229 Ca -0.03 -1.56 -0.13 0.00 0.70 0.00 0.00 55.95 54.92 5rub s SER 229 Cb -0.09 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 5rub s SER 229 CO 0.01 -0.50 0.28 0.00 1.20 0.00 0.00 173.24 174.24 5rub s ALA 230 N 1.35 3.59 -0.15 5.45 0.00 -0.71 -0.74 121.76 130.54 5rub s ALA 230 Ca 0.03 -0.67 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 5rub s ALA 230 Cb -0.22 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 5rub s ALA 230 CO 0.01 -0.21 1.65 1.21 0.00 0.00 0.00 175.76 178.41 5rub s ASN 231 N 0.98 6.49 0.00 0.00 3.04 -1.26 -0.93 114.94 123.25 5rub s ASN 231 Ca 0.14 1.90 0.06 0.00 0.04 0.00 0.00 52.86 55.00 5rub s ASN 231 Cb -0.14 -2.53 0.12 0.00 -1.54 0.00 0.00 41.25 37.16 5rub s ASN 231 CO 0.06 -1.12 1.00 2.30 -3.04 0.00 0.00 177.10 176.29 5rub n ILE 232 N 6.02 0.70 -1.71 -5.21 -5.35 -0.26 -4.89 119.36 108.66 5rub n ILE 232 Ca 0.18 -0.85 -0.43 0.00 -0.27 0.00 0.00 62.75 61.38 5rub n ILE 232 Cb 0.44 0.68 -0.02 0.00 -1.74 0.00 0.00 39.64 39.01 5rub n ILE 232 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 5rub n THR 233 N 0.11 1.30 -3.80 7.28 -1.04 -1.24 -4.42 114.28 112.47 5rub n THR 233 Ca 0.05 -0.33 -0.06 0.00 -2.04 0.00 0.00 64.05 61.67 5rub n THR 233 Cb 0.28 -1.67 -0.02 0.00 -1.82 0.00 0.00 70.33 67.10 5rub n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 5rub s ALA 234 N -0.37 -1.37 -0.01 2.41 0.00 -1.26 -4.94 121.76 116.21 5rub s ALA 234 Ca 0.63 -0.13 -0.15 0.00 0.00 0.00 0.00 51.96 52.31 5rub s ALA 234 Cb -0.57 0.78 -0.33 0.00 0.00 0.00 0.00 23.12 23.00 5rub s ALA 234 CO 0.53 -1.02 0.86 -0.44 0.00 0.00 0.00 175.76 175.69 5rub h ASP 235 N 2.00 0.71 -3.30 0.00 5.19 -1.95 -3.45 116.42 115.62 5rub h ASP 235 Ca -0.21 -0.93 -0.59 0.00 -0.62 0.00 0.00 57.03 54.68 5rub h ASP 235 Cb 1.25 -0.23 -0.08 0.00 0.18 0.00 0.00 39.33 40.44 5rub h ASP 235 CO 0.24 1.70 0.63 -0.62 -3.12 0.00 0.00 179.24 178.07 5rub s ASP 236 N -7.41 6.86 0.46 6.45 3.68 -1.26 -4.92 116.67 120.53 5rub s ASP 236 Ca -0.12 0.98 0.21 0.00 2.13 0.00 0.00 52.55 55.75 5rub s ASP 236 Cb 0.04 -2.48 1.20 0.00 -1.45 0.00 0.00 42.92 40.23 5rub s ASP 236 CO 0.90 -0.69 1.89 -0.65 0.13 0.00 0.00 175.17 176.74 5rub h PRO 237 N 7.91 0.27 0.00 4.34 0.11 -1.96 0.29 132.00 142.96 5rub h PRO 237 Ca -0.22 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 5rub h PRO 237 Cb 1.08 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 5rub h PRO 237 CO 0.95 0.18 -0.29 0.74 -0.21 0.00 0.00 178.00 179.36 5rub h PHE 238 N 0.27 0.00 0.22 0.65 0.04 -1.99 -0.67 116.94 115.47 5rub h PHE 238 Ca 0.42 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.87 5rub h PHE 238 Cb 1.22 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.41 5rub h PHE 238 CO -0.00 0.29 -1.41 1.49 -0.60 0.00 0.00 178.31 178.08 5rub h GLU 239 N 0.00 0.53 0.17 1.51 4.57 -0.85 -2.42 114.58 118.09 5rub h GLU 239 Ca -0.00 -0.86 0.00 0.00 -1.18 0.00 0.00 59.36 57.32 5rub h GLU 239 Cb 0.85 0.31 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 5rub h GLU 239 CO 0.04 1.41 -0.15 0.82 -1.18 0.00 0.00 179.01 179.94 5rub h ILE 240 N 0.16 0.66 -0.72 2.32 2.04 -0.91 0.41 117.51 121.48 5rub h ILE 240 Ca -0.23 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.64 5rub h ILE 240 Cb 2.10 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 5rub h ILE 240 CO 0.26 0.00 0.47 0.40 0.00 0.00 0.00 178.15 179.28 5rub h ILE 241 N -0.34 1.19 -0.47 -0.67 2.04 -1.24 -0.60 117.51 117.42 5rub h ILE 241 Ca -0.00 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 5rub h ILE 241 Cb 0.32 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 5rub h ILE 241 CO -0.03 0.19 0.12 0.00 0.00 0.00 0.00 178.15 178.42 5rub h ALA 242 N 1.26 0.62 0.19 1.87 0.00 -0.96 -0.92 119.26 121.32 5rub h ALA 242 Ca 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 5rub h ALA 242 Cb -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.51 5rub h ALA 242 CO -0.06 0.31 -0.09 0.00 0.00 0.00 0.00 179.25 179.41 5rub h ARG 243 N 0.63 -0.24 -0.08 0.00 3.08 -0.48 -1.01 114.38 116.28 5rub h ARG 243 Ca 0.15 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.25 5rub h ARG 243 Cb 0.32 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 5rub h ARG 243 CO 0.00 -0.12 -0.15 0.78 -1.07 0.00 0.00 179.97 179.42 5rub h GLY 244 N -0.31 -0.12 1.36 0.04 0.00 -1.03 -0.46 103.07 102.55 5rub h GLY 244 Ca -0.03 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 5rub h GLY 244 CO 0.04 -0.15 0.26 0.83 0.00 0.00 0.00 176.54 177.52 5rub h GLU 245 N -0.21 0.83 -0.26 4.80 5.08 -1.13 -0.64 114.58 123.05 5rub h GLU 245 Ca 0.08 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 5rub h GLU 245 Cb 0.32 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 5rub h GLU 245 CO -0.20 0.66 -0.41 -0.92 -1.00 0.00 0.00 179.01 177.13 5rub h TYR 246 N 0.82 0.91 0.19 4.33 5.03 -0.66 -2.01 116.97 125.58 5rub h TYR 246 Ca 0.20 -0.31 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 5rub h TYR 246 Cb 0.12 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.22 5rub h TYR 246 CO 0.01 1.09 -0.09 0.28 -1.32 0.00 0.00 178.16 178.13 5rub h VAL 247 N 0.47 0.88 -0.72 1.81 2.07 -0.71 -1.49 116.25 118.55 5rub h VAL 247 Ca 0.02 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.21 5rub h VAL 247 Cb 1.01 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 5rub h VAL 247 CO 0.09 0.08 0.45 -0.07 0.02 0.00 0.00 177.57 178.14 5rub h LEU 248 N -0.44 0.73 -0.01 2.57 3.38 -1.15 -0.59 115.31 119.79 5rub h LEU 248 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 5rub h LEU 248 Cb 0.34 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 5rub h LEU 248 CO 0.04 0.50 0.00 -0.08 0.09 0.00 0.00 178.44 178.99 5rub h GLU 249 N 0.86 0.01 -0.19 1.13 4.81 -1.35 -2.72 114.58 117.13 5rub h GLU 249 Ca 0.29 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 5rub h GLU 249 Cb 0.05 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 5rub h GLU 249 CO -0.12 0.04 -0.24 1.15 -0.73 0.00 0.00 179.01 179.11 5rub h THR 250 N -0.03 1.25 0.00 0.32 2.02 -0.84 -2.19 112.91 113.45 5rub h THR 250 Ca 0.00 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.02 5rub h THR 250 Cb 0.04 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 5rub h THR 250 CO -0.00 0.36 0.00 0.49 0.37 0.00 0.00 175.52 176.74 5rub n PHE 251 N -4.15 0.70 0.00 3.16 3.01 -0.27 -4.91 117.46 115.00 5rub n PHE 251 Ca -0.01 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.70 5rub n PHE 251 Cb 0.37 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 38.95 5rub n PHE 251 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 5rub n GLY 252 N 0.55 2.83 0.29 1.37 0.00 -0.82 -0.03 105.19 109.38 5rub n GLY 252 Ca 0.04 0.31 0.20 0.00 0.00 0.00 0.00 46.02 46.56 5rub n GLY 252 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 5rub h GLU 253 N 0.00 0.00 -0.60 1.61 9.09 -1.89 -1.41 114.58 121.38 5rub h GLU 253 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 5rub h GLU 253 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 5rub h GLU 253 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 5rub n ASN 254 N -2.91 3.44 -0.22 3.06 3.02 0.96 -4.52 115.26 118.09 5rub n ASN 254 Ca -0.02 -2.18 0.11 0.00 -0.03 0.00 0.00 54.58 52.46 5rub n ASN 254 Cb 0.11 -0.45 0.40 0.00 -0.61 0.00 0.00 39.78 39.23 5rub n ASN 254 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 5rub h ALA 255 N 3.91 1.86 0.00 5.41 0.00 -1.33 0.41 119.26 129.52 5rub h ALA 255 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 5rub h ALA 255 Cb 0.99 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.65 5rub h ALA 255 CO 0.10 -0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 5rub n SER 256 N -4.52 0.24 -0.86 0.00 3.41 -1.26 -1.76 113.62 108.87 5rub n SER 256 Ca 0.15 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 5rub n SER 256 Cb 0.41 -0.61 0.28 0.00 -0.26 0.00 0.00 64.21 64.03 5rub n SER 256 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 5rub n HIS 257 N -1.77 0.27 -3.78 7.33 8.25 0.14 -4.90 115.22 120.77 5rub n HIS 257 Ca 0.03 -0.14 -0.36 0.00 -0.26 0.00 0.00 57.72 56.99 5rub n HIS 257 Cb 0.20 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 5rub n HIS 257 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 5rub s VAL 258 N -1.73 5.43 0.01 1.59 1.01 -0.72 -2.10 120.40 123.89 5rub s VAL 258 Ca 0.35 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 5rub s VAL 258 Cb 0.20 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 5rub s VAL 258 CO 0.30 0.53 0.14 0.00 0.00 0.00 0.00 175.10 176.07 5rub s ALA 259 N -0.41 3.80 -0.31 5.51 0.00 0.67 -4.24 121.76 126.79 5rub s ALA 259 Ca 0.13 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 5rub s ALA 259 Cb -0.12 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.27 5rub s ALA 259 CO 0.02 0.74 0.14 -0.51 0.00 0.00 0.00 175.76 176.14 5rub s LEU 260 N -1.96 4.08 -0.12 0.00 1.43 0.20 -1.74 118.68 120.57 5rub s LEU 260 Ca 0.27 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.57 5rub s LEU 260 Cb -0.12 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 5rub s LEU 260 CO 0.18 -0.21 0.52 -0.22 0.23 0.00 0.00 176.35 176.85 5rub s LEU 261 N 1.58 4.26 -0.06 1.79 2.96 -0.11 -0.48 118.68 128.61 5rub s LEU 261 Ca 0.04 0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 54.78 5rub s LEU 261 Cb -0.17 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.79 5rub s LEU 261 CO 0.05 -0.05 0.02 -0.69 -1.32 0.00 0.00 176.35 174.36 5rub s VAL 262 N 0.82 0.24 -0.70 1.68 1.01 -0.56 -1.11 120.40 121.78 5rub s VAL 262 Ca 0.27 0.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.20 5rub s VAL 262 Cb -0.16 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 35.86 5rub s VAL 262 CO 0.11 0.23 1.15 -0.62 0.00 0.00 0.00 175.10 175.97 5rub s ASP 263 N 1.94 6.17 0.00 3.32 -1.08 -1.26 -2.34 116.67 123.41 5rub s ASP 263 Ca 0.04 -0.66 0.23 0.00 -0.52 0.00 0.00 52.55 51.63 5rub s ASP 263 Cb -0.12 -2.50 1.05 0.00 -1.46 0.00 0.00 42.92 39.89 5rub s ASP 263 CO -0.04 -1.67 1.74 0.61 0.52 0.00 0.00 175.17 176.33 5rub n GLY 264 N 5.35 -1.19 0.05 2.66 0.00 -1.15 -2.68 105.19 108.23 5rub n GLY 264 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 5rub n GLY 264 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 5rub h TYR 265 N 0.00 0.00 -0.26 1.61 3.20 -1.79 -1.65 116.97 118.08 5rub h TYR 265 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 5rub h TYR 265 Cb 0.32 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 5rub h TYR 265 CO 0.00 0.00 -0.16 -0.39 -1.64 0.00 0.00 178.16 175.97 5rub h VAL 266 N -0.94 1.24 0.00 1.81 -1.51 -1.71 -3.22 116.25 111.92 5rub h VAL 266 Ca 0.00 -1.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 5rub h VAL 266 Cb 0.16 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 5rub h VAL 266 CO 0.00 0.34 -1.63 0.00 -1.23 0.00 0.00 177.57 175.06 5rub n ALA 267 N -2.48 3.51 -0.12 5.19 0.00 -1.09 -5.10 120.51 120.41 5rub n ALA 267 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 53.44 52.91 5rub n ALA 267 Cb 0.34 -0.75 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 5rub n ALA 267 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5rub n GLY 268 N 1.35 -1.35 0.28 0.00 0.00 -0.62 -4.16 105.19 100.70 5rub n GLY 268 Ca -0.01 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.57 5rub n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5rub h ALA 269 N -0.11 1.07 0.00 4.61 0.00 -1.92 -0.84 119.26 122.06 5rub h ALA 269 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 5rub h ALA 269 Cb 0.11 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 5rub h ALA 269 CO 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 179.25 178.72 5rub h ALA 270 N 1.63 1.52 -0.25 0.00 0.00 -1.94 -0.85 119.26 119.36 5rub h ALA 270 Ca 0.45 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 5rub h ALA 270 Cb 0.77 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 5rub h ALA 270 CO -0.50 0.26 -0.10 0.00 0.00 0.00 0.00 179.25 178.90 5rub h ALA 271 N 1.79 0.35 0.18 0.00 0.00 -1.32 -0.51 119.26 119.75 5rub h ALA 271 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 5rub h ALA 271 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 5rub h ALA 271 CO 0.03 0.19 -0.09 0.82 0.00 0.00 0.00 179.25 180.20 5rub h ILE 272 N 0.23 0.81 -0.08 0.00 1.08 -1.23 -2.50 117.51 115.83 5rub h ILE 272 Ca 0.06 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.50 5rub h ILE 272 Cb 0.60 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 5rub h ILE 272 CO 0.03 0.00 -0.10 0.74 -0.69 0.00 0.00 178.15 178.13 5rub h THR 273 N -0.24 1.12 0.26 -0.27 2.02 -1.14 0.57 112.91 115.22 5rub h THR 273 Ca -0.02 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 5rub h THR 273 Cb 0.19 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 5rub h THR 273 CO 0.03 0.16 -0.20 0.74 0.37 0.00 0.00 175.52 176.63 5rub h THR 274 N 0.11 0.58 0.02 3.16 2.02 -0.66 -1.60 112.91 116.54 5rub h THR 274 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 5rub h THR 274 Cb 0.25 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 5rub h THR 274 CO 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.90 5rub h ALA 275 N 0.24 -0.03 -0.49 6.16 0.00 -1.11 -0.42 119.26 123.61 5rub h ALA 275 Ca -0.02 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.91 5rub h ALA 275 Cb 0.40 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 5rub h ALA 275 CO -0.00 -0.44 -0.04 -0.09 0.00 0.00 0.00 179.25 178.67 5rub h ARG 276 N -0.17 0.07 0.02 0.00 9.65 -0.82 -1.08 114.38 122.06 5rub h ARG 276 Ca -0.00 -0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.62 5rub h ARG 276 Cb 0.16 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 5rub h ARG 276 CO 0.00 0.05 -1.33 0.00 2.80 0.00 0.00 179.97 181.49 5rub h ARG 277 N 0.07 0.05 0.02 0.20 3.08 -1.27 -3.21 114.38 113.32 5rub h ARG 277 Ca 0.24 -0.09 -0.23 0.00 0.07 0.00 0.00 59.98 59.98 5rub h ARG 277 Cb 0.37 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 5rub h ARG 277 CO -0.44 0.86 -1.11 -0.09 -1.07 0.00 0.00 179.97 178.12 5rub h ARG 278 N 0.01 0.03 -2.10 0.04 9.65 -0.93 -3.40 114.38 117.69 5rub h ARG 278 Ca -0.14 -0.05 -0.56 0.00 -1.10 0.00 0.00 59.98 58.12 5rub h ARG 278 Cb 1.90 0.02 -0.41 0.00 -1.39 0.00 0.00 29.97 30.09 5rub h ARG 278 CO 0.12 0.97 -0.91 1.19 2.80 0.00 0.00 179.97 184.14 5rub n PHE 279 N -3.34 1.57 0.32 2.20 3.72 -0.42 -4.96 117.46 116.55 5rub n PHE 279 Ca -0.03 -3.85 0.15 0.00 -0.05 0.00 0.00 57.45 53.67 5rub n PHE 279 Cb 0.96 -0.45 0.67 0.00 -0.94 0.00 0.00 39.48 39.72 5rub n PHE 279 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 5rub h PRO 280 N 3.70 0.00 -0.00 -1.08 0.13 -1.74 -3.00 132.00 130.01 5rub h PRO 280 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 5rub h PRO 280 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 5rub h PRO 280 CO 0.63 0.00 -0.36 -0.25 -0.23 0.00 0.00 178.00 177.79 5rub n ASP 281 N -2.72 0.37 -4.66 1.44 8.00 -1.26 -4.33 116.55 113.39 5rub n ASP 281 Ca 0.01 -0.06 -0.31 0.00 0.71 0.00 0.00 54.79 55.14 5rub n ASP 281 Cb 0.23 0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.30 5rub n ASP 281 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 5rub s ASN 282 N -2.99 4.93 -0.00 -2.24 -0.87 -1.13 -5.02 114.94 107.61 5rub s ASN 282 Ca 0.12 -0.17 -0.30 0.00 -1.57 0.00 0.00 52.86 50.94 5rub s ASN 282 Cb 0.18 -1.17 -0.06 0.00 -0.02 0.00 0.00 41.25 40.18 5rub s ASN 282 CO 0.65 0.20 1.57 0.12 -2.57 0.00 0.00 177.10 177.07 5rub s PHE 283 N -1.23 2.41 -0.51 2.20 5.36 -1.26 -4.86 117.98 120.10 5rub s PHE 283 Ca 0.23 0.45 -0.19 0.00 -0.96 0.00 0.00 56.93 56.46 5rub s PHE 283 Cb -0.12 -3.84 0.06 0.00 -0.34 0.00 0.00 43.02 38.78 5rub s PHE 283 CO 0.15 -3.37 0.64 -1.17 -1.46 0.00 0.00 175.22 170.01 5rub s LEU 284 N 3.06 4.93 -0.49 6.12 0.20 -1.26 -0.63 118.68 130.61 5rub s LEU 284 Ca 0.70 -0.88 -0.23 0.00 0.69 0.00 0.00 54.13 54.41 5rub s LEU 284 Cb -0.34 -2.47 0.04 0.00 -0.43 0.00 0.00 46.19 42.99 5rub s LEU 284 CO 0.29 -0.91 0.80 -2.28 -0.29 0.00 0.00 176.35 173.96 5rub s HIS 285 N 2.69 2.94 -0.50 5.38 5.65 0.36 -0.21 115.29 131.60 5rub s HIS 285 Ca 0.16 -0.04 -0.20 0.00 0.25 0.00 0.00 55.06 55.22 5rub s HIS 285 Cb -0.19 -3.76 0.05 0.00 -1.18 0.00 0.00 32.58 27.50 5rub s HIS 285 CO 0.12 -1.11 0.67 -0.47 -0.65 0.00 0.00 174.74 173.30 5rub s TYR 286 N 3.36 3.02 0.01 3.88 6.14 -0.11 -1.49 117.35 132.15 5rub s TYR 286 Ca 0.27 -0.38 -0.23 0.00 0.64 0.00 0.00 57.07 57.36 5rub s TYR 286 Cb -0.14 -3.56 -0.05 0.00 0.42 0.00 0.00 41.96 38.63 5rub s TYR 286 CO 0.19 -1.04 0.71 -1.58 0.64 0.00 0.00 175.55 174.47 5rub s HIS 287 N 2.83 3.69 -1.12 4.97 5.65 -0.99 -2.89 115.29 127.43 5rub s HIS 287 Ca 0.18 1.35 0.14 0.00 0.25 0.00 0.00 55.06 56.99 5rub s HIS 287 Cb -0.17 -2.76 0.60 0.00 -1.18 0.00 0.00 32.58 29.07 5rub s HIS 287 CO 0.14 0.26 1.48 0.54 -0.65 0.00 0.00 174.74 176.50 5rub n ARG 288 N 2.99 3.35 -1.16 2.88 1.74 -1.26 -2.96 116.66 122.24 5rub n ARG 288 Ca -0.03 -2.36 -0.46 0.00 -0.77 0.00 0.00 57.85 54.22 5rub n ARG 288 Cb 0.51 -1.82 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 5rub n ARG 288 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 5rub n ALA 289 N 0.84 -2.74 0.00 7.54 0.00 -1.26 -0.27 120.51 124.62 5rub n ALA 289 Ca 0.21 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.10 5rub n ALA 289 Cb 0.78 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.88 5rub n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5rub n GLY 290 N 1.32 2.99 0.33 0.00 0.00 -1.26 -4.10 105.19 104.48 5rub n GLY 290 Ca 0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.34 5rub n GLY 290 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 5rub h HIS 291 N 0.00 0.88 0.00 1.61 -0.00 -1.03 -0.75 115.15 115.86 5rub h HIS 291 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 5rub h HIS 291 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.17 5rub h HIS 291 CO 0.00 0.02 0.77 0.41 -0.00 0.00 0.00 177.93 179.13 5rub n GLY 292 N -1.32 -0.30 0.27 6.13 0.00 -1.26 0.82 105.19 109.53 5rub n GLY 292 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 5rub n GLY 292 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5rub h ALA 293 N 0.00 0.64 0.00 4.61 0.00 -1.54 -3.26 119.26 119.72 5rub h ALA 293 Ca 0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 54.91 54.12 5rub h ALA 293 Cb 1.55 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 5rub h ALA 293 CO 0.00 0.68 -2.22 0.28 0.00 0.00 0.00 179.25 177.99 5rub n VAL 294 N -4.08 1.20 0.30 0.00 0.31 0.24 -4.65 118.33 111.64 5rub n VAL 294 Ca -0.01 -0.31 0.19 0.00 -0.01 0.00 0.00 64.34 64.20 5rub n VAL 294 Cb 0.50 -1.77 0.85 0.00 -0.91 0.00 0.00 33.84 32.52 5rub n VAL 294 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 5rub h THR 295 N -0.74 0.00 -4.01 2.52 1.35 -1.54 -3.40 112.91 107.08 5rub h THR 295 Ca -0.55 -0.33 -0.55 0.00 -0.55 0.00 0.00 66.41 64.43 5rub h THR 295 Cb 1.50 1.31 0.17 0.00 -1.73 0.00 0.00 68.15 69.39 5rub h THR 295 CO -0.32 0.00 0.36 -0.24 -0.25 0.00 0.00 175.52 175.07 5rub n SER 296 N -3.04 1.42 -1.18 5.36 2.88 -1.23 -3.87 113.62 113.96 5rub n SER 296 Ca -0.01 0.74 -0.03 0.00 -1.33 0.00 0.00 58.87 58.25 5rub n SER 296 Cb 0.22 -1.50 0.02 0.00 -0.75 0.00 0.00 64.21 62.20 5rub n SER 296 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 5rub n PRO 297 N -2.12 1.13 -0.01 -1.46 -0.04 -1.26 -2.99 135.00 128.26 5rub n PRO 297 Ca 0.15 -0.31 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 5rub n PRO 297 Cb 0.49 -1.12 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 5rub n PRO 297 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 5rub n GLN 298 N 0.44 2.18 -2.70 0.54 -0.06 -1.26 -4.96 117.38 111.55 5rub n GLN 298 Ca 0.06 -0.01 -0.42 0.00 -2.00 0.00 0.00 57.00 54.63 5rub n GLN 298 Cb 0.61 -1.04 -0.03 0.00 -4.06 0.00 0.00 30.24 25.72 5rub n GLN 298 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 5rub s SER 299 N -2.78 7.19 -0.26 1.69 0.15 -1.16 -4.92 113.70 113.61 5rub s SER 299 Ca -0.01 1.46 0.13 0.00 0.70 0.00 0.00 55.95 58.24 5rub s SER 299 Cb 0.01 -2.54 0.79 0.00 -1.71 0.00 0.00 66.02 62.57 5rub s SER 299 CO 0.07 -0.49 1.76 0.29 1.20 0.00 0.00 173.24 176.07 5rub n LYS 300 N 5.32 4.50 -4.38 5.44 4.01 -1.26 -4.89 118.16 126.90 5rub n LYS 300 Ca 0.09 -3.14 -0.20 0.00 -0.51 0.00 0.00 58.31 54.55 5rub n LYS 300 Cb 0.48 -2.24 -0.10 0.00 -0.51 0.00 0.00 35.03 32.66 5rub n LYS 300 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 5rub s ARG 301 N -2.85 1.43 5.97 1.97 0.52 -1.26 -3.63 118.95 121.10 5rub s ARG 301 Ca 0.55 -1.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 5rub s ARG 301 Cb 0.42 -1.11 0.00 0.00 0.52 0.00 0.00 34.95 34.78 5rub s ARG 301 CO 0.15 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.98 5rub n GLY 302 N -0.48 1.85 3.47 -3.53 0.00 -1.22 -4.74 105.19 100.54 5rub n GLY 302 Ca -0.07 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 5rub n GLY 302 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 5rub s TYR 303 N 0.00 0.02 0.77 1.61 -0.85 -1.26 -1.86 117.35 115.77 5rub s TYR 303 Ca 0.00 -0.37 -0.08 0.00 -0.52 0.00 0.00 57.07 56.10 5rub s TYR 303 Cb 0.00 0.27 0.10 0.00 0.38 0.00 0.00 41.96 42.71 5rub s TYR 303 CO 0.00 -0.86 1.09 0.95 -1.52 0.00 0.00 175.55 175.21 5rub s THR 304 N -3.90 2.17 0.23 -3.49 -4.23 -0.96 -3.39 115.64 102.08 5rub s THR 304 Ca 0.11 -0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 60.32 5rub s THR 304 Cb 0.00 -2.94 0.20 0.00 1.34 0.00 0.00 72.50 71.10 5rub s THR 304 CO -0.02 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 175.90 5rub h ALA 305 N -0.84 1.16 -0.29 3.99 0.00 -1.95 -0.63 119.26 120.69 5rub h ALA 305 Ca -0.43 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.40 5rub h ALA 305 Cb 1.29 -0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 5rub h ALA 305 CO 0.54 0.66 -0.25 0.35 0.00 0.00 0.00 179.25 180.55 5rub h PHE 306 N 1.23 -0.65 -0.69 0.00 3.04 -1.93 -1.37 116.94 116.57 5rub h PHE 306 Ca 0.30 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.27 5rub h PHE 306 Cb 0.07 0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 5rub h PHE 306 CO 0.01 -0.32 0.34 0.28 -2.02 0.00 0.00 178.31 176.60 5rub h VAL 307 N -0.23 1.23 -0.35 1.41 2.07 -1.62 0.86 116.25 119.62 5rub h VAL 307 Ca 0.15 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.11 5rub h VAL 307 Cb 0.47 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 5rub h VAL 307 CO -0.42 0.26 0.04 -0.74 0.02 0.00 0.00 177.57 176.72 5rub h HIS 308 N 0.96 0.05 -0.28 1.57 -0.00 -0.70 -1.14 115.15 115.61 5rub h HIS 308 Ca 0.24 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.53 5rub h HIS 308 Cb 0.10 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 5rub h HIS 308 CO 0.00 -0.02 -0.21 0.00 -0.00 0.00 0.00 177.93 177.70 5rub h LYS 310 N 0.36 0.13 -1.00 0.00 3.64 -0.60 -2.04 116.57 117.07 5rub h LYS 310 Ca 0.05 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 5rub h LYS 310 Cb 0.76 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 5rub h LYS 310 CO 0.06 0.09 0.66 0.52 -2.27 0.00 0.00 179.45 178.50 5rub h MET 311 N 0.14 1.25 -0.84 1.90 2.86 -1.13 -2.58 114.93 116.52 5rub h MET 311 Ca 0.17 -0.08 0.17 0.00 -2.06 0.00 0.00 59.70 57.91 5rub h MET 311 Cb 0.23 -0.28 -0.06 0.00 0.06 0.00 0.00 31.60 31.54 5rub h MET 311 CO -0.27 0.83 0.56 0.00 1.06 0.00 0.00 176.91 179.09 5rub h ALA 312 N 1.40 2.11 -0.30 6.32 0.00 -0.86 0.44 119.26 128.37 5rub h ALA 312 Ca 0.39 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.23 5rub h ALA 312 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 5rub h ALA 312 CO -0.11 -0.36 -0.15 -0.09 0.00 0.00 0.00 179.25 178.54 5rub h ARG 313 N 0.45 0.63 -0.62 0.00 2.43 -1.11 -1.56 114.38 114.60 5rub h ARG 313 Ca 0.43 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 5rub h ARG 313 Cb 0.98 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 5rub h ARG 313 CO -0.16 0.86 0.28 -0.07 -1.51 0.00 0.00 179.97 179.37 5rub h LEU 314 N 0.39 0.83 -2.05 3.80 3.38 -1.12 -2.67 115.31 117.88 5rub h LEU 314 Ca 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 5rub h LEU 314 Cb 0.67 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 5rub h LEU 314 CO 0.04 0.75 -0.04 1.56 0.09 0.00 0.00 178.44 180.84 5rub h GLN 315 N 0.86 0.00 0.00 1.13 4.20 -0.91 -0.53 115.11 119.86 5rub h GLN 315 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 5rub h GLN 315 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 5rub h GLN 315 CO -0.02 0.04 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 5rub n GLY 316 N -1.32 1.57 3.77 3.46 0.00 -0.94 -4.43 105.19 107.30 5rub n GLY 316 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 5rub n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5rub s ALA 317 N -2.00 3.23 0.07 4.61 0.00 -0.63 -4.25 121.76 122.79 5rub s ALA 317 Ca 0.00 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 52.99 5rub s ALA 317 Cb 0.00 -3.44 -0.27 0.00 0.00 0.00 0.00 23.12 19.41 5rub s ALA 317 CO 0.00 -0.68 1.13 0.77 0.00 0.00 0.00 175.76 176.98 5rub h SER 318 N 2.73 0.62 -5.03 0.00 0.02 -0.78 -3.41 113.55 107.69 5rub h SER 318 Ca -0.49 -0.62 -0.12 0.00 -0.84 0.00 0.00 61.79 59.72 5rub h SER 318 Cb 1.24 -0.20 -0.19 0.00 0.14 0.00 0.00 62.40 63.40 5rub h SER 318 CO 0.63 1.46 -0.39 -0.83 -1.14 0.00 0.00 176.83 176.56 5rub s GLY 319 N -4.57 -0.00 -0.07 -3.77 0.00 -1.10 -0.25 107.32 97.55 5rub s GLY 319 Ca -0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.48 5rub s GLY 319 CO 0.90 -0.29 0.18 -1.50 0.00 0.00 0.00 173.10 172.39 5rub s ILE 320 N -2.02 -0.01 0.01 0.90 2.07 -0.78 -0.94 121.20 120.43 5rub s ILE 320 Ca -0.09 0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 58.88 5rub s ILE 320 Cb -0.04 -0.26 -0.08 0.00 0.13 0.00 0.00 42.46 42.21 5rub s ILE 320 CO -0.01 0.01 1.91 -2.28 -1.91 0.00 0.00 174.94 172.66 5rub s HIS 321 N 0.29 1.43 -0.82 3.50 5.65 -1.14 -2.05 115.29 122.15 5rub s HIS 321 Ca -0.02 -0.28 0.07 0.00 0.25 0.00 0.00 55.06 55.08 5rub s HIS 321 Cb -0.03 -4.16 0.05 0.00 -1.18 0.00 0.00 32.58 27.26 5rub s HIS 321 CO -0.01 -5.14 0.71 0.25 -0.65 0.00 0.00 174.74 169.90 5rub n THR 322 N 5.63 0.01 0.00 0.89 -2.24 0.26 -4.85 114.28 113.98 5rub n THR 322 Ca 0.20 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 5rub n THR 322 Cb 0.42 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 5rub n THR 322 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5rub n GLY 323 N 0.37 1.33 2.07 3.38 0.00 -1.20 -5.01 105.19 106.12 5rub n GLY 323 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 5rub n GLY 323 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 5rub n ASP 336 N 2.96 -1.22 0.00 1.61 -0.08 -1.26 -4.69 116.55 113.87 5rub n ASP 336 Ca 0.00 0.29 0.09 0.00 -1.51 0.00 0.00 54.79 53.66 5rub n ASP 336 Cb 0.00 1.40 0.40 0.00 2.34 0.00 0.00 41.12 45.27 5rub n ASP 336 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 5rub n ARG 337 N -2.84 0.10 -0.01 -0.67 0.63 -1.26 0.64 116.66 113.25 5rub n ARG 337 Ca 0.00 0.17 -0.18 0.00 -0.92 0.00 0.00 57.85 56.92 5rub n ARG 337 Cb 0.00 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.27 5rub n ARG 337 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 5rub h ALA 338 N 2.70 0.00 -0.71 5.13 0.00 -1.98 0.12 119.26 124.52 5rub h ALA 338 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 5rub h ALA 338 Cb 0.25 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 5rub h ALA 338 CO 0.00 0.33 0.28 0.82 0.00 0.00 0.00 179.25 180.68 5rub h ILE 339 N -0.63 1.25 -0.57 0.00 2.04 -1.60 -0.34 117.51 117.66 5rub h ILE 339 Ca -0.13 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 64.98 5rub h ILE 339 Cb 1.41 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 5rub h ILE 339 CO 0.06 0.31 0.34 0.00 0.00 0.00 0.00 178.15 178.86 5rub h ALA 340 N 1.13 0.74 -0.30 1.87 0.00 0.16 -0.43 119.26 122.43 5rub h ALA 340 Ca 0.24 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 5rub h ALA 340 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 5rub h ALA 340 CO -0.02 0.05 -0.21 1.88 0.00 0.00 0.00 179.25 180.96 5rub h TYR 341 N 0.66 0.79 -0.60 0.00 0.99 -0.67 -2.03 116.97 116.12 5rub h TYR 341 Ca 0.23 -0.21 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 5rub h TYR 341 Cb 0.05 -0.18 -0.03 0.00 1.00 0.00 0.00 36.73 37.57 5rub h TYR 341 CO -0.06 0.93 0.30 1.98 -0.00 0.00 0.00 178.16 181.31 5rub h MET 342 N 0.43 0.83 -0.02 4.88 4.05 -0.73 0.07 114.93 124.44 5rub h MET 342 Ca 0.06 -0.09 -0.15 0.00 -0.28 0.00 0.00 59.70 59.24 5rub h MET 342 Cb 0.75 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 5rub h MET 342 CO 0.06 0.63 -0.67 -0.07 0.23 0.00 0.00 176.91 177.09 5rub h LEU 343 N 0.83 0.10 0.00 3.39 3.38 -0.97 -3.40 115.31 118.63 5rub h LEU 343 Ca 0.21 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 5rub h LEU 343 Cb 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 5rub h LEU 343 CO -0.03 0.74 -1.40 0.35 0.09 0.00 0.00 178.44 178.19 5rub n THR 344 N -3.78 0.28 -1.99 0.22 -2.24 -0.77 -0.89 114.28 105.11 5rub n THR 344 Ca -0.02 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 5rub n THR 344 Cb 0.66 -0.40 0.06 0.00 -2.10 0.00 0.00 70.33 68.55 5rub n THR 344 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 5rub s GLN 345 N -2.28 2.56 0.12 -0.78 -1.52 -0.03 -4.64 119.66 113.09 5rub s GLN 345 Ca -0.03 0.23 0.23 0.00 -1.95 0.00 0.00 55.36 53.85 5rub s GLN 345 Cb 0.03 -2.05 0.16 0.00 -0.22 0.00 0.00 33.01 30.93 5rub s GLN 345 CO 0.27 -1.17 1.15 -3.47 -0.25 0.00 0.00 175.29 171.83 5rub n ASP 346 N -3.03 0.69 -3.67 5.90 -0.08 -1.26 -4.75 116.55 110.36 5rub n ASP 346 Ca 0.07 0.07 -0.16 0.00 -1.51 0.00 0.00 54.79 53.26 5rub n ASP 346 Cb 0.59 0.45 -0.15 0.00 2.34 0.00 0.00 41.12 44.35 5rub n ASP 346 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 5rub s GLU 347 N -3.23 0.07 0.13 -0.67 2.12 -1.26 -0.24 118.70 115.62 5rub s GLU 347 Ca 0.04 0.61 0.01 0.00 0.36 0.00 0.00 54.97 55.99 5rub s GLU 347 Cb 0.13 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 5rub s GLU 347 CO 0.77 -0.30 -0.02 0.00 -0.54 0.00 0.00 175.26 175.17 5rub s ALA 348 N 2.30 1.05 -0.18 6.30 0.00 -0.64 -5.00 121.76 125.59 5rub s ALA 348 Ca 0.02 -1.44 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 5rub s ALA 348 Cb -0.12 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 5rub s ALA 348 CO -0.07 -0.32 0.03 -1.14 0.00 0.00 0.00 175.76 174.26 5rub s GLN 349 N -3.91 3.84 0.30 0.00 2.00 -1.26 -0.88 119.66 119.74 5rub s GLN 349 Ca 0.18 -0.42 0.04 0.00 -2.00 0.00 0.00 55.36 53.16 5rub s GLN 349 Cb 0.06 -3.11 0.04 0.00 0.80 0.00 0.00 33.01 30.79 5rub s GLN 349 CO -0.01 0.22 0.31 0.41 -0.50 0.00 0.00 175.29 175.72 5rub n GLY 350 N 3.66 2.45 0.39 2.59 0.00 0.13 -4.86 105.19 109.55 5rub n GLY 350 Ca -0.17 -2.21 0.18 0.00 0.00 0.00 0.00 46.02 43.82 5rub n GLY 350 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 5rub h PRO 351 N 0.00 0.43 0.00 1.61 0.11 -1.99 -3.33 132.00 128.83 5rub h PRO 351 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 5rub h PRO 351 Cb 0.66 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.67 5rub h PRO 351 CO 0.25 0.28 -0.69 1.19 -0.21 0.00 0.00 178.00 178.82 5rub n PHE 352 N -4.52 0.00 -4.76 0.65 3.72 -1.26 -5.08 117.46 106.21 5rub n PHE 352 Ca 0.19 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.32 5rub n PHE 352 Cb 0.65 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.05 5rub n PHE 352 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 5rub s TYR 353 N -1.69 1.89 -0.18 1.38 2.02 -1.25 -5.10 117.35 114.42 5rub s TYR 353 Ca 0.00 -0.38 -0.18 0.00 -0.37 0.00 0.00 57.07 56.15 5rub s TYR 353 Cb 0.00 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 5rub s TYR 353 CO 0.00 0.07 0.47 0.50 -1.57 0.00 0.00 175.55 175.02 5rub s ARG 354 N -1.04 4.22 -0.07 -0.62 3.52 -1.26 0.17 118.95 123.87 5rub s ARG 354 Ca 0.08 0.36 0.03 0.00 -0.13 0.00 0.00 55.73 56.08 5rub s ARG 354 Cb -0.09 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 5rub s ARG 354 CO 0.01 -0.04 -0.17 -1.14 -0.81 0.00 0.00 175.30 173.15 5rub s GLN 355 N 1.29 2.76 -0.03 5.12 2.00 -0.06 -4.97 119.66 125.77 5rub s GLN 355 Ca 0.23 -0.75 -0.03 0.00 -2.00 0.00 0.00 55.36 52.81 5rub s GLN 355 Cb -0.15 -2.39 -0.04 0.00 0.80 0.00 0.00 33.01 31.23 5rub s GLN 355 CO 0.09 0.44 0.15 -1.12 -0.50 0.00 0.00 175.29 174.36 5rub s SER 356 N -0.27 6.22 0.00 6.67 0.01 -1.26 -1.62 113.70 123.45 5rub s SER 356 Ca 0.01 0.33 0.12 0.00 1.31 0.00 0.00 55.95 57.72 5rub s SER 356 Cb -0.13 -1.93 0.10 0.00 0.21 0.00 0.00 66.02 64.26 5rub s SER 356 CO 0.03 0.29 0.88 0.79 0.41 0.00 0.00 173.24 175.64 5rub n TRP 357 N 1.20 0.01 -3.22 2.43 7.02 0.67 -4.98 117.44 120.56 5rub n TRP 357 Ca -0.13 -0.01 -0.21 0.00 -1.02 0.00 0.00 57.50 56.13 5rub n TRP 357 Cb 0.53 -0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.41 5rub n TRP 357 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 5rub n GLY 358 N 0.66 -0.49 1.10 6.99 0.00 -1.26 -0.76 105.19 111.42 5rub n GLY 358 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.16 5rub n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5rub n GLY 359 N -1.10 0.88 3.73 -0.02 0.00 -1.26 -5.02 105.19 102.41 5rub n GLY 359 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 5rub n GLY 359 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 5rub s MET 360 N -0.63 4.21 0.57 1.61 -2.45 0.06 -4.93 119.30 117.74 5rub s MET 360 Ca 0.00 2.40 -0.20 0.00 -1.25 0.00 0.00 55.69 56.63 5rub s MET 360 Cb 0.00 -3.11 -0.05 0.00 1.25 0.00 0.00 34.83 32.93 5rub s MET 360 CO 0.00 -0.55 1.17 1.17 1.05 0.00 0.00 175.02 177.86 5rub n LYS 361 N 3.00 1.28 -1.64 4.11 4.81 -1.26 -4.96 118.16 123.49 5rub n LYS 361 Ca 0.10 0.48 -0.33 0.00 -0.87 0.00 0.00 58.31 57.69 5rub n LYS 361 Cb 0.39 -2.37 0.06 0.00 0.02 0.00 0.00 35.03 33.13 5rub n LYS 361 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 5rub s ALA 362 N -1.38 2.36 -0.15 3.14 0.00 -1.26 -4.50 121.76 119.96 5rub s ALA 362 Ca 0.74 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.32 5rub s ALA 362 Cb -0.42 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.34 5rub s ALA 362 CO 0.48 -1.46 -0.16 0.00 0.00 0.00 0.00 175.76 174.62 5rub s THR 364 N 0.82 4.66 0.20 0.00 2.01 0.65 -4.32 115.64 119.66 5rub s THR 364 Ca -0.05 1.82 -0.30 0.00 0.31 0.00 0.00 61.69 63.47 5rub s THR 364 Cb -0.15 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.07 5rub s THR 364 CO -0.00 0.33 1.28 -2.84 -0.69 0.00 0.00 174.62 172.69 5rub s PRO 365 N 0.05 4.42 -0.23 4.92 0.02 -1.26 -1.87 135.00 141.05 5rub s PRO 365 Ca 0.43 2.01 -0.01 0.00 0.02 0.00 0.00 61.00 63.44 5rub s PRO 365 Cb -0.22 -3.20 0.02 0.00 0.02 0.00 0.00 34.50 31.12 5rub s PRO 365 CO 0.26 -0.20 -0.09 0.42 -0.33 0.00 0.00 177.00 177.06 5rub s ILE 366 N 0.02 2.80 0.03 2.83 1.01 -0.87 -2.65 121.20 124.37 5rub s ILE 366 Ca 0.55 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 5rub s ILE 366 Cb -0.35 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 5rub s ILE 366 CO 0.38 0.33 0.14 -0.63 0.00 0.00 0.00 174.94 175.16 5rub s ILE 367 N 1.35 5.01 0.12 2.92 -1.09 -0.20 -0.57 121.20 128.74 5rub s ILE 367 Ca 0.03 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 58.04 5rub s ILE 367 Cb -0.15 -3.37 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 5rub s ILE 367 CO -0.06 0.24 0.10 -1.54 -1.23 0.00 0.00 174.94 172.45 5rub n SER 368 N 0.74 -0.25 0.00 3.58 3.41 -1.26 -0.85 113.62 118.99 5rub n SER 368 Ca -0.10 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 5rub n SER 368 Cb 0.52 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.06 5rub n SER 368 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 5rub n GLY 369 N -0.22 -1.42 2.46 5.00 0.00 -1.24 -4.69 105.19 105.08 5rub n GLY 369 Ca 0.03 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 5rub n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5rub n GLY 370 N 0.00 5.05 3.61 -0.02 0.00 -1.26 -3.12 105.19 109.44 5rub n GLY 370 Ca 0.00 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 5rub n GLY 370 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 5rub s MET 371 N -2.98 3.70 0.57 1.61 1.00 -1.26 -4.73 119.30 117.20 5rub s MET 371 Ca 0.53 0.95 0.09 0.00 0.00 0.00 0.00 55.69 57.27 5rub s MET 371 Cb 0.41 -3.96 0.08 0.00 0.00 0.00 0.00 34.83 31.36 5rub s MET 371 CO -0.18 -1.41 0.76 0.54 0.00 0.00 0.00 175.02 174.73 5rub s ASN 372 N 3.34 5.07 0.54 3.03 2.20 -1.26 -4.37 114.94 123.49 5rub s ASN 372 Ca 0.57 -0.88 0.20 0.00 -0.94 0.00 0.00 52.86 51.82 5rub s ASN 372 Cb -0.13 0.30 1.44 0.00 -2.00 0.00 0.00 41.25 40.87 5rub s ASN 372 CO 0.30 -1.32 2.18 0.00 -2.94 0.00 0.00 177.10 175.32 5rub h ALA 373 N 0.22 1.86 -0.08 3.54 0.00 -1.85 -2.57 119.26 120.38 5rub h ALA 373 Ca -0.30 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 5rub h ALA 373 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 5rub h ALA 373 CO 0.42 -0.01 -0.64 -0.07 0.00 0.00 0.00 179.25 178.95 5rub h LEU 374 N 0.00 0.36 0.00 0.00 3.38 -1.93 -3.26 115.31 113.87 5rub h LEU 374 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.76 5rub h LEU 374 Cb 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.66 5rub h LEU 374 CO -0.00 0.91 -0.95 0.54 0.09 0.00 0.00 178.44 179.03 5rub n ARG 375 N -3.87 0.49 -0.13 1.13 1.74 -0.99 -4.43 116.66 110.61 5rub n ARG 375 Ca -0.03 0.09 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 5rub n ARG 375 Cb 0.64 -1.75 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 5rub n ARG 375 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 5rub h MET 376 N 0.00 -0.38 -0.65 5.56 4.05 -1.54 -2.34 114.93 119.63 5rub h MET 376 Ca 0.00 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.55 5rub h MET 376 Cb 0.90 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 31.72 5rub h MET 376 CO 0.00 -0.26 0.26 -1.35 0.23 0.00 0.00 176.91 175.80 5rub h PRO 377 N -0.40 0.44 -0.86 0.39 0.11 -1.77 -1.03 132.00 128.87 5rub h PRO 377 Ca 0.08 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 5rub h PRO 377 Cb 0.60 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 5rub h PRO 377 CO -0.58 0.29 0.45 0.78 -0.21 0.00 0.00 178.00 178.73 5rub h GLY 378 N 0.45 1.30 0.92 -0.55 0.00 -1.80 -0.13 103.07 103.26 5rub h GLY 378 Ca 0.33 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 5rub h GLY 378 CO -0.32 0.58 0.12 -2.75 0.00 0.00 0.00 176.54 174.17 5rub h PHE 379 N 1.21 0.56 -0.65 5.60 3.57 -0.81 -0.52 116.94 125.89 5rub h PHE 379 Ca 0.30 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 5rub h PHE 379 Cb 0.06 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 5rub h PHE 379 CO 0.01 0.54 0.27 0.74 -2.23 0.00 0.00 178.31 177.64 5rub h PHE 380 N 0.42 0.98 -0.25 0.41 0.04 -0.91 -1.67 116.94 115.96 5rub h PHE 380 Ca 0.11 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.82 5rub h PHE 380 Cb 0.24 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 5rub h PHE 380 CO 0.01 0.76 0.16 0.93 -0.60 0.00 0.00 178.31 179.57 5rub h GLU 381 N 0.91 0.32 0.67 1.51 4.39 -0.70 1.05 114.58 122.74 5rub h GLU 381 Ca 0.22 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 5rub h GLU 381 Cb 0.19 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 5rub h GLU 381 CO -0.02 0.21 -0.32 -0.91 -1.16 0.00 0.00 179.01 176.81 5rub h ASN 382 N 0.33 -0.76 -0.50 1.42 -0.26 -0.92 -3.20 115.58 111.68 5rub h ASN 382 Ca 0.10 -0.01 0.08 0.00 -0.56 0.00 0.00 56.30 55.90 5rub h ASN 382 Cb -0.03 0.20 -0.06 0.00 -1.06 0.00 0.00 38.32 37.37 5rub h ASN 382 CO -0.03 -0.42 0.14 0.25 -1.06 0.00 0.00 177.43 176.31 5rub h LEU 383 N -1.12 0.09 0.00 1.61 5.85 -1.28 -3.46 115.31 117.00 5rub h LEU 383 Ca -0.09 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.70 5rub h LEU 383 Cb 0.72 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.84 5rub h LEU 383 CO 0.15 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.94 5rub n GLY 384 N -1.27 0.76 3.83 3.75 0.00 0.36 -5.05 105.19 107.57 5rub n GLY 384 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 5rub n GLY 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5rub s ASN 385 N -2.49 -0.04 -0.12 1.61 2.20 -1.09 -4.99 114.94 110.02 5rub s ASN 385 Ca 0.00 -0.82 0.14 0.00 -0.94 0.00 0.00 52.86 51.24 5rub s ASN 385 Cb 0.00 0.66 0.29 0.00 -2.00 0.00 0.00 41.25 40.20 5rub s ASN 385 CO 0.00 -1.29 1.15 0.00 -2.94 0.00 0.00 177.10 174.02 5rub n ALA 386 N -0.58 2.62 -1.38 3.54 0.00 -1.26 -4.58 120.51 118.86 5rub n ALA 386 Ca -0.06 -2.51 -0.39 0.00 0.00 0.00 0.00 53.44 50.48 5rub n ALA 386 Cb 0.60 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 5rub n ALA 386 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 5rub n ASN 387 N -0.90 8.22 -4.26 0.00 3.02 -1.26 -1.35 115.26 118.73 5rub n ASN 387 Ca 0.13 -2.62 -0.15 0.00 -0.03 0.00 0.00 54.58 51.90 5rub n ASN 387 Cb 0.72 -1.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.22 5rub n ASN 387 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 5rub s VAL 388 N 2.16 0.38 -0.16 2.41 -7.23 -1.26 -4.66 120.40 112.04 5rub s VAL 388 Ca 0.67 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.81 5rub s VAL 388 Cb 0.18 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 5rub s VAL 388 CO -0.06 0.00 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.04 5rub s ILE 389 N -3.85 3.66 -0.19 -0.62 1.01 -1.08 -1.74 121.20 118.38 5rub s ILE 389 Ca 0.38 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.56 5rub s ILE 389 Cb 0.07 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 5rub s ILE 389 CO 0.14 0.49 -0.06 -0.22 0.00 0.00 0.00 174.94 175.29 5rub s LEU 390 N 0.52 2.96 -0.53 2.97 2.96 0.19 -1.03 118.68 126.71 5rub s LEU 390 Ca -0.04 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 5rub s LEU 390 Cb -0.15 -1.73 0.14 0.00 0.50 0.00 0.00 46.19 44.95 5rub s LEU 390 CO 0.03 0.06 0.33 0.42 -1.32 0.00 0.00 176.35 175.87 5rub s THR 391 N 1.00 3.37 0.10 3.68 -4.23 -0.02 0.10 115.64 119.63 5rub s THR 391 Ca 0.00 -2.70 -0.22 0.00 -1.18 0.00 0.00 61.69 57.59 5rub s THR 391 Cb -0.15 -3.26 -0.07 0.00 1.34 0.00 0.00 72.50 70.37 5rub s THR 391 CO 0.00 -0.80 0.65 0.00 -0.54 0.00 0.00 174.62 173.94 5rub s ALA 392 N 0.32 3.52 0.00 3.99 0.00 -0.43 -3.68 121.76 125.49 5rub s ALA 392 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.26 5rub s ALA 392 Cb -0.22 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.13 5rub s ALA 392 CO -0.03 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.47 5rub n GLY 393 N 1.76 -0.03 2.77 0.00 0.00 -1.18 -4.21 105.19 104.29 5rub n GLY 393 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 5rub n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5rub n GLY 394 N 3.45 5.62 0.00 -0.02 0.00 -1.26 -1.29 105.19 111.69 5rub n GLY 394 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.32 5rub n GLY 394 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5rub n GLY 395 N 0.21 0.00 0.70 -0.02 0.00 -1.26 -4.56 105.19 100.26 5rub n GLY 395 Ca 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.33 5rub n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5rub n ALA 396 N -0.41 2.25 0.11 4.61 0.00 -1.25 -4.43 120.51 121.40 5rub n ALA 396 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 53.44 53.14 5rub n ALA 396 Cb 0.03 0.20 0.36 0.00 0.00 0.00 0.00 19.45 20.04 5rub n ALA 396 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 5rub h PHE 397 N -0.36 0.26 -0.00 0.00 0.04 -1.47 -2.97 116.94 112.44 5rub h PHE 397 Ca -0.04 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.69 5rub h PHE 397 Cb 0.50 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.58 5rub h PHE 397 CO -0.14 0.41 0.00 0.41 -0.60 0.00 0.00 178.31 178.39 5rub n GLY 398 N -0.78 -0.97 3.78 -1.45 0.00 -1.26 -4.48 105.19 100.02 5rub n GLY 398 Ca -0.01 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 5rub n GLY 398 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 5rub s HIS 399 N -2.00 3.62 0.55 1.61 5.65 -1.12 -4.88 115.29 118.72 5rub s HIS 399 Ca 0.41 1.76 0.23 0.00 0.25 0.00 0.00 55.06 57.72 5rub s HIS 399 Cb 0.19 -3.00 1.45 0.00 -1.18 0.00 0.00 32.58 30.03 5rub s HIS 399 CO 0.32 -0.01 2.09 0.97 -0.65 0.00 0.00 174.74 177.47 5rub h ILE 400 N 2.62 0.75 -0.07 0.89 2.10 -1.89 -1.88 117.51 120.02 5rub h ILE 400 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.47 5rub h ILE 400 Cb 1.20 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 5rub h ILE 400 CO 0.65 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 178.19 5rub n ASP 401 N -4.25 2.02 0.00 2.19 10.43 -1.26 -5.06 116.55 120.61 5rub n ASP 401 Ca 0.02 -1.69 0.00 0.00 2.57 0.00 0.00 54.79 55.70 5rub n ASP 401 Cb 0.32 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.25 5rub n ASP 401 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 5rub n GLY 402 N 1.23 0.71 0.25 0.44 0.00 -0.71 -4.58 105.19 102.54 5rub n GLY 402 Ca 0.17 -2.13 0.03 0.00 0.00 0.00 0.00 46.02 44.09 5rub n GLY 402 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 5rub h PRO 403 N 0.00 0.30 -0.46 1.61 0.11 -1.78 -1.38 132.00 130.40 5rub h PRO 403 Ca 0.00 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 5rub h PRO 403 Cb 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 5rub h PRO 403 CO 0.00 0.38 -0.03 0.28 -0.21 0.00 0.00 178.00 178.42 5rub h VAL 404 N 0.29 1.27 -0.39 3.15 2.07 -1.86 0.16 116.25 120.94 5rub h VAL 404 Ca 0.06 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 5rub h VAL 404 Cb 0.30 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 5rub h VAL 404 CO 0.01 0.38 -0.09 0.00 0.02 0.00 0.00 177.57 177.89 5rub h ALA 405 N 0.90 0.54 -0.17 1.67 0.00 -1.78 -0.40 119.26 120.02 5rub h ALA 405 Ca 0.13 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.75 5rub h ALA 405 Cb 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 5rub h ALA 405 CO 0.03 0.40 0.00 0.78 0.00 0.00 0.00 179.25 180.46 5rub h GLY 406 N 0.56 0.16 0.50 0.00 0.00 -0.82 -0.64 103.07 102.83 5rub h GLY 406 Ca 0.10 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.50 5rub h GLY 406 CO 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 176.54 176.56 5rub h ALA 407 N 1.14 0.30 -0.34 3.60 0.00 -0.48 -2.64 119.26 120.84 5rub h ALA 407 Ca 0.08 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 5rub h ALA 407 Cb 0.09 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 5rub h ALA 407 CO -0.13 -0.40 0.01 0.00 0.00 0.00 0.00 179.25 178.73 5rub h ARG 408 N 0.10 0.52 0.00 0.00 3.08 -0.59 -2.27 114.38 115.22 5rub h ARG 408 Ca 0.16 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 5rub h ARG 408 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 5rub h ARG 408 CO -0.26 0.55 -0.31 0.66 -1.07 0.00 0.00 179.97 179.54 5rub h SER 409 N 0.50 0.00 -0.02 7.04 4.64 -0.79 0.12 113.55 125.05 5rub h SER 409 Ca 0.11 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 5rub h SER 409 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 5rub h SER 409 CO 0.01 0.31 -0.56 -0.07 -0.87 0.00 0.00 176.83 175.64 5rub h LEU 410 N 0.00 0.52 -0.41 5.97 3.38 -1.11 -1.68 115.31 121.99 5rub h LEU 410 Ca -0.00 -0.74 -0.00 0.00 0.09 0.00 0.00 57.88 57.22 5rub h LEU 410 Cb 0.68 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 5rub h LEU 410 CO 0.04 1.19 0.24 -0.09 0.09 0.00 0.00 178.44 179.92 5rub h ARG 411 N -0.10 0.55 -0.42 1.13 2.43 -1.02 -2.19 114.38 114.76 5rub h ARG 411 Ca -0.07 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 5rub h ARG 411 Cb 1.27 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 5rub h ARG 411 CO 0.11 0.41 0.25 1.96 -1.51 0.00 0.00 179.97 181.20 5rub h GLN 412 N 0.54 0.49 -0.68 0.20 4.20 -0.74 -1.22 115.11 117.90 5rub h GLN 412 Ca 0.15 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.84 5rub h GLN 412 Cb 0.00 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 5rub h GLN 412 CO -0.03 0.33 0.45 0.00 -0.67 0.00 0.00 178.83 178.91 5rub h ALA 413 N 1.19 1.53 -0.21 3.87 0.00 -1.20 -0.28 119.26 124.16 5rub h ALA 413 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 5rub h ALA 413 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 5rub h ALA 413 CO -0.07 0.42 -0.17 2.35 0.00 0.00 0.00 179.25 181.78 5rub h TRP 414 N 0.90 0.58 -0.21 0.00 7.01 -0.80 -2.20 115.95 121.24 5rub h TRP 414 Ca 0.25 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 61.09 5rub h TRP 414 Cb -0.07 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 5rub h TRP 414 CO -0.00 0.81 0.14 1.96 -2.79 0.00 0.00 178.44 178.56 5rub h GLN 415 N 0.17 0.27 -0.10 2.65 4.20 -0.93 0.59 115.11 121.96 5rub h GLN 415 Ca 0.04 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.76 5rub h GLN 415 Cb 0.70 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 5rub h GLN 415 CO 0.04 0.18 -0.10 0.00 -0.67 0.00 0.00 178.83 178.29 5rub h ALA 416 N 1.07 -0.02 -0.26 3.87 0.00 -1.05 -0.49 119.26 122.38 5rub h ALA 416 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 5rub h ALA 416 Cb -0.03 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 5rub h ALA 416 CO -0.02 -0.56 0.07 2.35 0.00 0.00 0.00 179.25 181.09 5rub h TRP 417 N -0.12 0.44 -0.11 0.00 7.01 -1.01 -1.33 115.95 120.84 5rub h TRP 417 Ca 0.07 -0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.07 5rub h TRP 417 Cb 0.23 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 27.10 5rub h TRP 417 CO -0.21 0.50 -0.27 -0.09 -2.79 0.00 0.00 178.44 175.57 5rub h ARG 418 N 0.26 -0.35 0.00 2.65 2.43 0.45 -3.05 114.38 116.77 5rub h ARG 418 Ca 0.08 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 5rub h ARG 418 Cb 0.27 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 5rub h ARG 418 CO 0.00 -0.23 -0.07 -0.44 -1.51 0.00 0.00 179.97 177.72 5rub h ASP 419 N -0.36 0.00 0.00 -3.80 3.45 -1.06 -3.47 116.42 111.18 5rub h ASP 419 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 5rub h ASP 419 Cb 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 5rub h ASP 419 CO -0.31 0.07 0.00 0.61 -1.57 0.00 0.00 179.24 178.04 5rub n GLY 420 N -0.17 0.67 3.69 2.75 0.00 -0.83 -5.05 105.19 106.25 5rub n GLY 420 Ca -0.00 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 5rub n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5rub s VAL 421 N -2.00 5.02 0.30 1.61 1.01 -0.56 -5.04 120.40 120.74 5rub s VAL 421 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 5rub s VAL 421 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 5rub s VAL 421 CO 0.00 0.48 1.43 -2.16 0.00 0.00 0.00 175.10 174.85 5rub s PRO 422 N 0.14 4.24 0.43 2.72 0.04 -1.26 -4.29 135.00 137.02 5rub s PRO 422 Ca 0.06 2.36 0.10 0.00 0.04 0.00 0.00 61.00 63.56 5rub s PRO 422 Cb -0.12 -3.06 0.94 0.00 0.04 0.00 0.00 34.50 32.30 5rub s PRO 422 CO -0.00 -0.40 2.06 0.28 0.04 0.00 0.00 177.00 178.97 5rub h VAL 423 N 3.28 1.09 -0.32 -0.36 2.07 -1.97 0.19 116.25 120.23 5rub h VAL 423 Ca -0.48 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 5rub h VAL 423 Cb 1.22 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 5rub h VAL 423 CO 0.72 0.10 -0.28 -0.07 0.02 0.00 0.00 177.57 178.06 5rub h LEU 424 N 0.36 0.69 -0.16 2.57 -0.00 -1.98 1.08 115.31 117.87 5rub h LEU 424 Ca 0.10 -0.26 -0.02 0.00 -0.00 0.00 0.00 57.88 57.70 5rub h LEU 424 Cb 0.03 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.49 5rub h LEU 424 CO -0.01 0.94 0.04 0.44 -0.00 0.00 0.00 178.44 179.84 5rub h ASP 425 N 0.58 0.25 -0.23 -0.43 5.19 -1.73 -0.98 116.42 119.07 5rub h ASP 425 Ca 0.07 -0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 5rub h ASP 425 Cb 0.78 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.21 5rub h ASP 425 CO 0.06 0.42 0.02 0.22 -3.12 0.00 0.00 179.24 176.84 5rub h TYR 426 N 0.07 0.43 -0.12 4.55 5.03 -0.31 -2.89 116.97 123.73 5rub h TYR 426 Ca 0.05 -0.07 0.03 0.00 2.58 0.00 0.00 58.73 61.33 5rub h TYR 426 Cb 0.27 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.43 5rub h TYR 426 CO 0.01 0.55 0.11 0.00 -1.32 0.00 0.00 178.16 177.51 5rub h ALA 427 N 0.82 1.85 -0.28 1.82 0.00 0.13 -1.36 119.26 122.23 5rub h ALA 427 Ca 0.07 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 5rub h ALA 427 Cb 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 5rub h ALA 427 CO 0.01 -0.17 -0.28 0.00 0.00 0.00 0.00 179.25 178.81 5rub h ARG 428 N 0.00 0.57 0.00 0.00 3.08 -0.95 -3.14 114.38 113.94 5rub h ARG 428 Ca 0.06 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.87 5rub h ARG 428 Cb 0.28 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.30 5rub h ARG 428 CO -0.00 0.79 -0.80 -1.91 -1.07 0.00 0.00 179.97 176.98 5rub n GLU 429 N -4.10 0.15 -3.93 0.04 2.13 -0.86 -4.82 120.64 109.25 5rub n GLU 429 Ca -0.00 0.01 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 5rub n GLU 429 Cb 0.44 -1.56 -0.15 0.00 0.27 0.00 0.00 31.44 30.44 5rub n GLU 429 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 5rub s HIS 430 N -3.10 2.60 0.22 4.31 3.76 -0.57 -5.04 115.29 117.47 5rub s HIS 430 Ca 0.07 -2.02 -0.07 0.00 -0.15 0.00 0.00 55.06 52.89 5rub s HIS 430 Cb 0.16 -1.87 0.19 0.00 1.11 0.00 0.00 32.58 32.17 5rub s HIS 430 CO 0.77 -0.83 1.79 1.57 -0.85 0.00 0.00 174.74 177.19 5rub h LYS 431 N 7.90 1.16 0.09 1.40 2.10 -1.88 -0.88 116.57 126.47 5rub h LYS 431 Ca -0.15 -0.21 0.02 0.00 -2.00 0.00 0.00 60.65 58.31 5rub h LYS 431 Cb 1.05 -0.19 -0.03 0.00 -0.90 0.00 0.00 32.23 32.16 5rub h LYS 431 CO 0.44 0.94 -0.23 0.93 -2.00 0.00 0.00 179.45 179.54 5rub h GLU 432 N 1.13 -0.40 -0.22 0.07 3.07 -1.91 0.88 114.58 117.19 5rub h GLU 432 Ca 0.26 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.17 5rub h GLU 432 Cb 0.22 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 5rub h GLU 432 CO -0.02 -0.27 0.06 1.25 -1.40 0.00 0.00 179.01 178.63 5rub h LEU 433 N -0.42 0.04 -0.91 1.33 5.85 -1.82 0.27 115.31 119.66 5rub h LEU 433 Ca 0.03 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.81 5rub h LEU 433 Cb 0.45 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 5rub h LEU 433 CO -0.15 0.05 0.59 0.00 -0.34 0.00 0.00 178.44 178.60 5rub h ALA 434 N 1.15 1.19 0.00 1.25 0.00 -0.58 0.98 119.26 123.25 5rub h ALA 434 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 5rub h ALA 434 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.55 5rub h ALA 434 CO -0.12 0.47 0.00 0.54 0.00 0.00 0.00 179.25 180.14 5rub n ARG 435 N -4.50 0.09 0.10 0.00 5.12 0.30 -2.67 116.66 115.11 5rub n ARG 435 Ca 0.11 0.22 -0.03 0.00 -1.93 0.00 0.00 57.85 56.22 5rub n ARG 435 Cb 0.08 -1.64 0.16 0.00 -1.16 0.00 0.00 32.46 29.89 5rub n ARG 435 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 5rub h ALA 436 N 2.58 0.94 -0.62 7.54 0.00 0.22 -2.20 119.26 127.71 5rub h ALA 436 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 5rub h ALA 436 Cb 0.43 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 5rub h ALA 436 CO 0.00 0.71 0.25 0.74 0.00 0.00 0.00 179.25 180.95 5rub h PHE 437 N 0.12 0.95 -0.17 0.00 -1.00 -1.47 -0.75 116.94 114.62 5rub h PHE 437 Ca -0.00 -0.07 -0.10 0.00 2.81 0.00 0.00 57.97 60.60 5rub h PHE 437 Cb 1.05 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 5rub h PHE 437 CO 0.01 0.75 -0.34 0.93 -1.61 0.00 0.00 178.31 178.06 5rub h GLU 438 N 0.87 0.36 -0.13 1.51 5.08 -1.64 -2.64 114.58 118.00 5rub h GLU 438 Ca 0.21 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 5rub h GLU 438 Cb 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 5rub h GLU 438 CO -0.02 0.66 -0.55 0.77 -1.00 0.00 0.00 179.01 178.88 5rub h SER 439 N 0.31 0.42 -2.32 1.42 0.02 -0.73 -3.36 113.55 109.31 5rub h SER 439 Ca 0.04 -0.22 -0.59 0.00 -0.84 0.00 0.00 61.79 60.18 5rub h SER 439 Cb 0.75 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 62.77 5rub h SER 439 CO 0.06 0.88 -0.85 0.49 -1.14 0.00 0.00 176.83 176.27 5rub n PHE 440 N -3.93 1.21 0.06 3.45 3.01 -0.35 -4.87 117.46 116.04 5rub n PHE 440 Ca -0.03 -3.79 -0.01 0.00 1.01 0.00 0.00 57.45 54.63 5rub n PHE 440 Cb 0.59 -0.32 0.27 0.00 -0.01 0.00 0.00 39.48 40.01 5rub n PHE 440 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 5rub h PRO 441 N 4.65 0.36 -0.66 -1.08 0.13 -1.63 0.42 132.00 134.19 5rub h PRO 441 Ca 0.16 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 5rub h PRO 441 Cb 0.81 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 5rub h PRO 441 CO 0.59 0.57 0.38 0.78 -0.23 0.00 0.00 178.00 180.09 5rub h GLY 442 N 0.97 0.98 0.69 1.56 0.00 -1.93 1.93 103.07 107.28 5rub h GLY 442 Ca 0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 5rub h GLY 442 CO 0.04 0.42 -0.02 -0.55 0.00 0.00 0.00 176.54 176.43 5rub h ASP 443 N 0.91 0.14 0.28 0.19 3.45 -1.92 -0.78 116.42 118.68 5rub h ASP 443 Ca 0.24 -0.37 -0.01 0.00 0.43 0.00 0.00 57.03 57.31 5rub h ASP 443 Cb 0.01 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 5rub h ASP 443 CO -0.04 0.48 -0.14 0.00 -1.57 0.00 0.00 179.24 177.97 5rub h ALA 444 N 0.67 -0.38 -0.63 3.45 0.00 0.52 0.35 119.26 123.24 5rub h ALA 444 Ca 0.02 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.88 5rub h ALA 444 Cb 0.42 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 5rub h ALA 444 CO 0.01 -0.63 -0.46 -0.44 0.00 0.00 0.00 179.25 177.72 5rub h ASP 445 N -0.54 -1.59 0.98 0.00 3.45 0.30 0.62 116.42 119.64 5rub h ASP 445 Ca -0.04 0.26 -0.06 0.00 0.43 0.00 0.00 57.03 57.62 5rub h ASP 445 Cb 0.40 0.72 -0.01 0.00 -0.56 0.00 0.00 39.33 39.88 5rub h ASP 445 CO 0.06 -0.33 -0.30 -0.61 -1.57 0.00 0.00 179.24 176.49 5rub h GLN 446 N -0.21 0.00 0.00 3.56 -0.00 -1.10 -3.22 115.11 114.14 5rub h GLN 446 Ca 0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.52 5rub h GLN 446 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.98 5rub h GLN 446 CO -0.72 0.30 -2.15 -0.89 0.00 0.00 0.00 178.83 175.37 5rub n ILE 447 N -3.42 1.15 -3.45 2.39 5.41 0.12 -4.80 119.36 116.77 5rub n ILE 447 Ca 0.00 -0.54 -0.26 0.00 1.00 0.00 0.00 62.75 62.95 5rub n ILE 447 Cb 0.49 -0.97 -0.09 0.00 -0.71 0.00 0.00 39.64 38.37 5rub n ILE 447 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 5rub n TYR 448 N -2.90 1.76 -2.13 1.39 4.01 0.21 -5.06 117.16 114.43 5rub n TYR 448 Ca -0.32 -3.89 -0.42 0.00 -0.16 0.00 0.00 57.90 53.10 5rub n TYR 448 Cb 0.94 -0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 39.56 5rub n TYR 448 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 5rub s PRO 449 N -1.53 4.26 0.00 -0.72 0.02 -1.22 -2.45 135.00 133.36 5rub s PRO 449 Ca 0.34 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.44 5rub s PRO 449 Cb 0.10 -3.58 0.00 0.00 0.02 0.00 0.00 34.50 31.04 5rub s PRO 449 CO -0.10 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 5rub n GLY 450 N 3.75 0.73 0.25 0.52 0.00 -1.26 -5.01 105.19 104.17 5rub n GLY 450 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 5rub n GLY 450 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 5rub h TRP 451 N 0.00 0.60 0.12 1.61 5.08 -1.84 -2.25 115.95 119.27 5rub h TRP 451 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 5rub h TRP 451 Cb 0.00 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 25.98 5rub h TRP 451 CO 0.00 0.25 -0.11 0.00 -1.28 0.00 0.00 178.44 177.30 5rub h ARG 452 N 0.60 -0.24 -0.29 0.12 3.08 -1.92 0.33 114.38 116.05 5rub h ARG 452 Ca 0.31 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 5rub h ARG 452 Cb 0.27 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 5rub h ARG 452 CO -0.23 -0.16 0.04 -0.22 -1.07 0.00 0.00 179.97 178.34 5rub h LYS 453 N -0.24 0.48 -0.60 0.04 3.64 -1.85 -1.46 116.57 116.58 5rub h LYS 453 Ca -0.00 -0.13 0.12 0.00 -1.27 0.00 0.00 60.65 59.37 5rub h LYS 453 Cb 0.23 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 31.90 5rub h LYS 453 CO -0.02 0.59 0.09 0.00 -2.27 0.00 0.00 179.45 177.85 5rub h ALA 454 N 0.87 0.68 0.00 5.00 0.00 -1.07 -0.45 119.26 124.29 5rub h ALA 454 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 5rub h ALA 454 Cb 0.35 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.36 5rub h ALA 454 CO 0.01 -0.34 -0.33 1.28 0.00 0.00 0.00 179.25 179.86 5rub n LEU 455 N -5.18 0.42 -3.11 0.00 4.32 0.11 -5.00 117.00 108.56 5rub n LEU 455 Ca 0.09 0.24 -0.05 0.00 -0.02 0.00 0.00 56.01 56.27 5rub n LEU 455 Cb 0.34 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 5rub n LEU 455 CO 0.15 0.03 -0.45 0.61 -1.22 0.00 0.00 177.39 176.50 5rub n GLY 456 N 1.45 -0.95 0.00 -0.72 0.00 -0.18 -5.08 105.19 99.71 5rub n GLY 456 Ca 0.06 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.35 5rub n GLY 456 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70