#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 -4.97 117.38 116.18 5rub n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 5rub n GLN 3 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 5rub n GLN 3 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 5rub n SER 4 N 0.00 4.28 0.00 1.08 2.88 -1.26 -0.46 113.62 120.13 5rub n SER 4 Ca 0.00 -2.16 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 5rub n SER 4 Cb 0.00 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 5rub n SER 4 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 5rub n SER 5 N 1.24 0.00 0.03 -3.46 2.88 -1.26 -4.86 113.62 108.18 5rub n SER 5 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 5rub n SER 5 Cb 0.46 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.27 -0.64 -1.46 9.65 -1.39 -3.36 114.38 117.46 5rub h ARG 6 Ca 0.00 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 5rub h ARG 6 Cb 0.00 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 5rub h ARG 6 CO 0.00 1.22 0.00 0.66 2.80 0.00 0.00 179.97 184.65 5rub n TYR 7 N -4.02 0.97 -4.13 2.20 4.01 0.39 -4.32 117.16 112.25 5rub n TYR 7 Ca -0.20 -0.45 -0.23 0.00 -0.16 0.00 0.00 57.90 56.86 5rub n TYR 7 Cb 0.87 -0.06 -0.17 0.00 -0.31 0.00 0.00 39.34 39.67 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 -1.33 0.77 -0.41 -0.72 1.01 -1.26 -1.64 120.40 116.83 5rub s VAL 8 Ca 0.43 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.24 5rub s VAL 8 Cb 0.24 -0.79 0.17 0.00 0.00 0.00 0.00 36.38 35.99 5rub s VAL 8 CO 0.27 0.30 0.34 0.21 0.00 0.00 0.00 175.10 176.22 5rub s ASN 9 N 1.25 1.42 0.00 3.32 3.04 -0.03 -4.60 114.94 119.34 5rub s ASN 9 Ca -0.05 -2.96 0.19 0.00 0.04 0.00 0.00 52.86 50.08 5rub s ASN 9 Cb -0.14 -0.36 0.98 0.00 -1.54 0.00 0.00 41.25 40.20 5rub s ASN 9 CO -0.02 -0.18 1.56 0.18 -3.04 0.00 0.00 177.10 175.60 5rub n LEU 10 N 2.94 0.00 -0.93 3.21 4.77 -1.25 -2.57 117.00 123.17 5rub n LEU 10 Ca 0.28 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.60 5rub n LEU 10 Cb 0.47 -0.22 0.25 0.00 -2.33 0.00 0.00 43.42 41.59 5rub n LEU 10 CO 0.08 -0.09 0.72 0.00 -1.33 0.00 0.00 177.39 176.77 5rub n ALA 11 N -1.22 2.46 -1.76 -1.18 0.00 -1.26 -4.84 120.51 112.71 5rub n ALA 11 Ca 0.10 -0.78 -0.40 0.00 0.00 0.00 0.00 53.44 52.36 5rub n ALA 11 Cb 0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.66 4.55 -0.30 0.00 1.43 -1.06 -5.01 118.68 116.63 5rub s LEU 12 Ca 0.35 2.19 -0.17 0.00 -1.03 0.00 0.00 54.13 55.48 5rub s LEU 12 Cb 0.21 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 5rub s LEU 12 CO 0.30 -0.10 0.45 -0.54 0.23 0.00 0.00 176.35 176.69 5rub s LYS 13 N -1.46 3.85 0.48 1.70 -0.14 -1.26 -4.91 119.74 118.00 5rub s LYS 13 Ca 0.45 0.00 0.28 0.00 -1.36 0.00 0.00 55.97 55.34 5rub s LYS 13 Cb -0.30 -3.72 1.35 0.00 -1.68 0.00 0.00 37.83 33.48 5rub s LYS 13 CO 0.38 -0.44 1.81 1.49 -0.76 0.00 0.00 175.35 177.83 5rub h GLU 14 N 8.26 0.16 -0.53 1.68 4.81 -1.95 1.11 114.58 128.12 5rub h GLU 14 Ca -0.29 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.81 5rub h GLU 14 Cb 1.14 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 5rub h GLU 14 CO 0.71 0.10 -0.14 0.93 -0.73 0.00 0.00 179.01 179.88 5rub h GLU 15 N 0.16 1.03 0.35 1.92 3.07 -1.99 -0.68 114.58 118.44 5rub h GLU 15 Ca 0.55 -0.40 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 5rub h GLU 15 Cb 1.84 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.70 5rub h GLU 15 CO -0.12 1.09 -0.17 -0.44 -1.40 0.00 0.00 179.01 177.96 5rub h ASP 16 N 0.90 -0.40 -0.70 1.42 3.45 0.80 -0.80 116.42 121.08 5rub h ASP 16 Ca 0.13 -0.00 0.13 0.00 0.43 0.00 0.00 57.03 57.72 5rub h ASP 16 Cb 0.72 0.10 -0.09 0.00 -0.56 0.00 0.00 39.33 39.50 5rub h ASP 16 CO 0.06 -0.27 0.25 -0.07 -1.57 0.00 0.00 179.24 177.63 5rub h LEU 17 N -0.50 0.20 0.57 1.55 3.38 -0.94 0.83 115.31 120.38 5rub h LEU 17 Ca -0.05 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 5rub h LEU 17 Cb 0.38 0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.24 5rub h LEU 17 CO 0.08 0.08 -0.27 0.40 0.09 0.00 0.00 178.44 178.82 5rub h ILE 18 N 0.39 0.42 -0.75 1.22 2.04 -0.90 -2.62 117.51 117.30 5rub h ILE 18 Ca 0.38 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 66.19 5rub h ILE 18 Cb 0.56 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 5rub h ILE 18 CO -0.39 0.02 0.40 0.00 0.00 0.00 0.00 178.15 178.18 5rub h ALA 19 N -0.47 1.05 -0.70 1.87 0.00 -0.99 -1.48 119.26 118.54 5rub h ALA 19 Ca -0.08 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.98 5rub h ALA 19 Cb 0.62 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 5rub h ALA 19 CO 0.13 0.02 0.32 0.78 0.00 0.00 0.00 179.25 180.50 5rub h GLY 20 N 0.69 1.05 -0.38 0.00 0.00 -0.70 -3.47 103.07 100.25 5rub h GLY 20 Ca 0.36 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.34 5rub h GLY 20 CO -0.25 0.01 -0.15 0.61 0.00 0.00 0.00 176.54 176.76 5rub n GLY 21 N -1.31 1.00 0.23 4.60 0.00 -0.56 -4.91 105.19 104.24 5rub n GLY 21 Ca 0.11 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.57 5rub n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 5rub n GLU 22 N -2.66 2.58 -3.82 1.61 1.02 -1.26 -4.62 120.64 113.49 5rub n GLU 22 Ca -0.08 -1.98 -0.13 0.00 -0.02 0.00 0.00 57.16 54.95 5rub n GLU 22 Cb 0.28 -1.25 -0.13 0.00 -0.02 0.00 0.00 31.44 30.32 5rub n GLU 22 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 5rub s HIS 23 N -1.59 -0.11 -0.14 -0.32 3.76 -1.26 -1.22 115.29 114.41 5rub s HIS 23 Ca 0.16 0.30 -0.24 0.00 -0.15 0.00 0.00 55.06 55.12 5rub s HIS 23 Cb 0.12 -0.00 -0.02 0.00 1.11 0.00 0.00 32.58 33.78 5rub s HIS 23 CO 0.05 -0.08 0.77 0.08 -0.85 0.00 0.00 174.74 174.71 5rub s VAL 24 N 0.34 4.95 -0.04 -0.90 1.01 -0.23 -4.36 120.40 121.17 5rub s VAL 24 Ca -0.02 1.53 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 5rub s VAL 24 Cb -0.04 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 5rub s VAL 24 CO -0.01 0.11 0.05 -0.76 0.00 0.00 0.00 175.10 174.49 5rub s LEU 25 N 1.69 3.81 -0.01 3.92 1.43 -0.34 -1.12 118.68 128.06 5rub s LEU 25 Ca 0.37 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 5rub s LEU 25 Cb -0.17 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 5rub s LEU 25 CO 0.14 0.32 -0.08 0.00 0.23 0.00 0.00 176.35 176.97 5rub s ALA 27 N -0.03 2.82 0.14 0.00 0.00 -0.54 -0.96 121.76 123.20 5rub s ALA 27 Ca 0.01 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.16 5rub s ALA 27 Cb -0.05 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 5rub s ALA 27 CO -0.00 0.30 -0.12 0.71 0.00 0.00 0.00 175.76 176.64 5rub s TYR 28 N 0.14 1.37 -0.40 0.00 2.02 0.14 -2.09 117.35 118.53 5rub s TYR 28 Ca -0.04 -0.64 -0.04 0.00 -0.37 0.00 0.00 57.07 55.98 5rub s TYR 28 Cb -0.14 -0.70 0.10 0.00 -0.40 0.00 0.00 41.96 40.82 5rub s TYR 28 CO 0.04 0.14 0.19 0.42 -1.57 0.00 0.00 175.55 174.77 5rub s ILE 29 N -2.75 3.37 0.01 2.71 -1.09 0.44 -1.73 121.20 122.16 5rub s ILE 29 Ca 0.14 -1.90 0.04 0.00 -2.23 0.00 0.00 60.65 56.70 5rub s ILE 29 Cb -0.01 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.62 5rub s ILE 29 CO 0.02 -0.60 -0.12 -0.32 -1.23 0.00 0.00 174.94 172.69 5rub s MET 30 N 1.19 0.90 -0.07 2.79 -2.45 0.52 -0.37 119.30 121.82 5rub s MET 30 Ca 0.06 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 53.94 5rub s MET 30 Cb -0.23 -0.88 0.01 0.00 1.25 0.00 0.00 34.83 34.99 5rub s MET 30 CO -0.03 0.23 -0.13 0.21 1.05 0.00 0.00 175.02 176.35 5rub s LYS 31 N -0.72 1.73 0.24 4.11 2.20 -0.87 -4.43 119.74 122.00 5rub s LYS 31 Ca 0.02 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 5rub s LYS 31 Cb -0.06 -1.43 -0.09 0.00 -1.51 0.00 0.00 37.83 34.74 5rub s LYS 31 CO 0.00 0.03 0.97 -1.25 -0.36 0.00 0.00 175.35 174.74 5rub s PRO 32 N 0.65 4.82 1.00 4.03 0.05 -1.26 -0.81 135.00 143.47 5rub s PRO 32 Ca -0.15 1.53 -0.19 0.00 0.05 0.00 0.00 61.00 62.25 5rub s PRO 32 Cb -0.16 -3.27 -0.13 0.00 0.05 0.00 0.00 34.50 30.99 5rub s PRO 32 CO 0.04 0.45 -0.79 1.63 0.05 0.00 0.00 177.00 178.38 5rub n LYS 33 N 1.54 -0.09 -1.55 4.56 4.76 0.19 -4.66 118.16 122.92 5rub n LYS 33 Ca -0.02 -0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.20 5rub n LYS 33 Cb 0.47 -1.12 -0.09 0.00 -1.84 0.00 0.00 35.03 32.44 5rub n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 5rub n ALA 34 N -2.88 0.54 0.00 7.82 0.00 -1.26 -3.16 120.51 121.56 5rub n ALA 34 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.26 5rub n ALA 34 Cb 0.60 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.96 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 6.45 3.84 3.77 0.00 0.00 -1.26 -5.12 105.19 112.86 5rub n GLY 35 Ca 0.49 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 2.84 0.34 1.61 2.02 -1.19 -5.00 117.35 117.97 5rub s TYR 36 Ca 0.00 1.50 -0.28 0.00 -0.37 0.00 0.00 57.07 57.93 5rub s TYR 36 Cb 0.00 -3.47 -0.10 0.00 -0.40 0.00 0.00 41.96 37.99 5rub s TYR 36 CO 0.00 -1.71 1.22 0.20 -1.57 0.00 0.00 175.55 173.70 5rub s GLY 37 N -1.18 2.98 0.06 0.71 0.00 -1.26 -4.78 107.32 103.85 5rub s GLY 37 Ca 0.62 1.10 -0.32 0.00 0.00 0.00 0.00 44.72 46.13 5rub s GLY 37 CO 0.39 1.71 1.56 -1.82 0.00 0.00 0.00 173.10 174.94 5rub h TYR 38 N 3.26 -0.80 -0.48 1.90 3.20 -1.97 -0.60 116.97 121.47 5rub h TYR 38 Ca -0.48 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.33 5rub h TYR 38 Cb 1.23 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 5rub h TYR 38 CO 0.56 -0.48 0.15 0.28 -1.64 0.00 0.00 178.16 177.02 5rub h VAL 39 N -0.91 1.23 -0.67 1.81 2.07 -1.98 0.80 116.25 118.60 5rub h VAL 39 Ca -0.09 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 5rub h VAL 39 Cb 0.68 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 5rub h VAL 39 CO 0.15 0.28 0.39 0.00 0.02 0.00 0.00 177.57 178.40 5rub h ALA 40 N 1.00 0.86 -0.15 1.67 0.00 -1.93 0.19 119.26 120.90 5rub h ALA 40 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 5rub h ALA 40 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 5rub h ALA 40 CO -0.00 0.35 -0.31 1.15 0.00 0.00 0.00 179.25 180.43 5rub h THR 41 N 0.91 1.27 -0.26 0.00 2.02 -0.77 0.63 112.91 116.71 5rub h THR 41 Ca 0.24 -1.29 -0.13 0.00 0.77 0.00 0.00 66.41 65.99 5rub h THR 41 Cb 0.00 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 5rub h THR 41 CO -0.04 0.39 -0.39 0.00 0.37 0.00 0.00 175.52 175.85 5rub h ALA 42 N 1.42 0.83 -0.46 6.16 0.00 -0.13 -0.60 119.26 126.47 5rub h ALA 42 Ca 0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 5rub h ALA 42 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 5rub h ALA 42 CO 0.05 0.65 0.20 0.00 0.00 0.00 0.00 179.25 180.14 5rub h ALA 43 N 1.06 0.60 -0.60 0.00 0.00 -0.06 -1.74 119.26 118.52 5rub h ALA 43 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 5rub h ALA 43 Cb 0.90 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 5rub h ALA 43 CO 0.08 0.19 0.22 1.25 0.00 0.00 0.00 179.25 180.99 5rub h HIS 44 N 0.60 0.93 -0.34 0.00 6.17 -0.59 -1.41 115.15 120.51 5rub h HIS 44 Ca 0.16 -0.08 -0.07 0.00 0.71 0.00 0.00 60.37 61.09 5rub h HIS 44 Cb 0.17 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 5rub h HIS 44 CO -0.00 0.75 -0.06 0.35 0.71 0.00 0.00 177.93 179.68 5rub h PHE 45 N 0.84 0.72 0.18 5.26 3.57 -0.95 -1.69 116.94 124.87 5rub h PHE 45 Ca 0.20 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.56 5rub h PHE 45 Cb 0.23 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 5rub h PHE 45 CO 0.01 0.79 -0.25 0.00 -2.23 0.00 0.00 178.31 176.64 5rub h ALA 46 N 0.82 -0.47 0.08 2.41 0.00 -1.08 -1.74 119.26 119.29 5rub h ALA 46 Ca 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.96 5rub h ALA 46 Cb 0.55 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 5rub h ALA 46 CO 0.03 -0.80 -0.23 0.00 0.00 0.00 0.00 179.25 178.24 5rub h ALA 47 N 0.21 -0.37 -0.04 0.00 0.00 -1.26 -2.04 119.26 115.76 5rub h ALA 47 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 5rub h ALA 47 Cb 0.49 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 5rub h ALA 47 CO -0.10 -0.76 0.04 0.93 0.00 0.00 0.00 179.25 179.36 5rub h GLU 48 N -0.41 0.00 -0.47 0.00 4.39 -1.22 -0.64 114.58 116.23 5rub h GLU 48 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 5rub h GLU 48 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 5rub h GLU 48 CO -0.15 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.13 5rub n SER 49 N -3.97 3.27 0.00 1.42 7.64 -0.66 -4.82 113.62 116.51 5rub n SER 49 Ca -0.02 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.89 5rub n SER 49 Cb 0.13 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 1.33 0.00 -4.65 6.43 3.41 -0.28 -4.77 113.62 115.09 5rub n SER 50 Ca 0.20 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.45 5rub n SER 50 Cb 0.55 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 5rub n SER 50 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 5rub s THR 51 N 0.45 5.26 0.00 6.66 -4.23 -1.02 -5.05 115.64 117.72 5rub s THR 51 Ca 0.00 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 5rub s THR 51 Cb 0.00 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.40 5rub s THR 51 CO 0.00 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 5rub n GLY 52 N 4.18 -1.71 3.13 3.99 0.00 -1.26 -4.51 105.19 109.00 5rub n GLY 52 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.89 5rub n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5rub s THR 53 N 0.00 -0.83 0.00 2.61 2.01 -1.26 -4.88 115.64 113.30 5rub s THR 53 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 5rub s THR 53 Cb 0.00 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.19 5rub s THR 53 CO 0.00 0.00 0.00 -1.14 -0.69 0.00 0.00 174.62 172.79 5rub n ARG 65 N 4.69 0.00 -0.37 4.92 0.63 -1.26 -5.29 116.66 119.97 5rub n ARG 65 Ca 0.08 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.93 5rub n ARG 65 Cb 0.57 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.41 5rub n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 5rub n GLY 66 N -0.03 -2.25 0.04 5.14 0.00 -1.26 -2.90 105.19 103.92 5rub n GLY 66 Ca 0.00 1.06 0.02 0.00 0.00 0.00 0.00 46.02 47.10 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 -5.16 0.00 -2.64 1.61 0.31 -1.26 -4.77 118.33 106.41 5rub n VAL 67 Ca 0.03 -0.42 -0.39 0.00 -0.01 0.00 0.00 64.34 63.55 5rub n VAL 67 Cb 0.26 1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 34.15 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 -1.21 7.39 0.06 4.52 -0.00 -1.14 -4.72 116.67 121.57 5rub s ASP 68 Ca 0.02 2.05 -0.26 0.00 -0.00 0.00 0.00 52.55 54.36 5rub s ASP 68 Cb 0.03 -2.61 -0.06 0.00 -0.00 0.00 0.00 42.92 40.29 5rub s ASP 68 CO 0.15 -0.04 0.79 0.00 -0.00 0.00 0.00 175.17 176.08 5rub s ALA 69 N -1.29 3.36 -0.01 5.23 0.00 -1.26 -4.16 121.76 123.63 5rub s ALA 69 Ca 0.45 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.79 5rub s ALA 69 Cb -0.26 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 5rub s ALA 69 CO 0.33 0.07 -0.18 -0.51 0.00 0.00 0.00 175.76 175.47 5rub s LEU 70 N -0.12 2.53 -0.44 0.00 1.43 -0.03 -4.65 118.68 117.40 5rub s LEU 70 Ca 0.39 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.91 5rub s LEU 70 Cb -0.21 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.55 5rub s LEU 70 CO 0.24 0.31 0.86 -0.69 0.23 0.00 0.00 176.35 177.30 5rub s VAL 71 N -0.77 4.57 -0.50 -1.59 1.01 -0.65 0.77 120.40 123.24 5rub s VAL 71 Ca 0.12 0.66 0.18 0.00 0.00 0.00 0.00 61.98 62.94 5rub s VAL 71 Cb -0.10 -4.37 -0.24 0.00 0.00 0.00 0.00 36.38 31.67 5rub s VAL 71 CO 0.02 -0.74 0.62 0.00 0.00 0.00 0.00 175.10 174.99 5rub n TYR 72 N 6.91 0.00 -3.55 5.22 0.18 -0.89 -0.85 117.16 124.19 5rub n TYR 72 Ca 0.04 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.66 5rub n TYR 72 Cb 0.48 -0.18 -0.06 0.00 -0.38 0.00 0.00 39.34 39.20 5rub n TYR 72 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 5rub s GLU 73 N -2.97 0.95 -0.05 -3.48 2.12 -1.21 -4.39 118.70 109.66 5rub s GLU 73 Ca 0.01 0.37 -0.15 0.00 0.36 0.00 0.00 54.97 55.56 5rub s GLU 73 Cb 0.13 0.45 0.03 0.00 0.26 0.00 0.00 34.13 35.00 5rub s GLU 73 CO 0.76 -0.27 0.35 0.08 -0.54 0.00 0.00 175.26 175.64 5rub s VAL 74 N -0.88 0.04 -0.37 3.70 1.01 -1.25 -1.08 120.40 121.56 5rub s VAL 74 Ca -0.08 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.59 5rub s VAL 74 Cb -0.01 -0.61 0.14 0.00 0.00 0.00 0.00 36.38 35.90 5rub s VAL 74 CO 0.07 -0.17 0.22 -0.62 0.00 0.00 0.00 175.10 174.59 5rub s ASP 75 N -0.90 3.07 0.24 3.32 3.68 0.18 -4.99 116.67 121.26 5rub s ASP 75 Ca -0.10 -2.29 -0.15 0.00 2.13 0.00 0.00 52.55 52.14 5rub s ASP 75 Cb -0.04 -0.52 0.29 0.00 -1.45 0.00 0.00 42.92 41.19 5rub s ASP 75 CO 0.04 -0.30 1.56 -0.33 0.13 0.00 0.00 175.17 176.27 5rub h GLU 76 N 6.93 -0.02 0.16 4.34 5.08 -1.96 0.86 114.58 129.97 5rub h GLU 76 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 5rub h GLU 76 Cb 0.96 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 5rub h GLU 76 CO 0.31 -0.02 -0.16 0.00 -1.00 0.00 0.00 179.01 178.14 5rub h ALA 77 N 1.52 -0.32 0.00 3.43 0.00 -1.96 -2.82 119.26 119.10 5rub h ALA 77 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.23 5rub h ALA 77 Cb 0.62 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.64 5rub h ALA 77 CO -0.94 -0.70 0.00 -2.13 0.00 0.00 0.00 179.25 175.48 5rub n ARG 78 N -5.29 0.96 -2.88 0.00 0.63 -0.49 -4.89 116.66 104.70 5rub n ARG 78 Ca -0.08 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.65 5rub n ARG 78 Cb 0.20 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.62 5rub n ARG 78 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 5rub n GLU 79 N -1.02 -3.43 -3.71 -0.14 1.02 0.18 -4.90 120.64 108.64 5rub n GLU 79 Ca 0.23 0.76 -0.37 0.00 -0.02 0.00 0.00 57.16 57.76 5rub n GLU 79 Cb 0.12 -5.50 -0.11 0.00 -0.02 0.00 0.00 31.44 25.93 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 -6.31 3.77 -0.13 -4.62 2.96 -0.79 -0.35 118.68 113.21 5rub s LEU 80 Ca 0.21 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 5rub s LEU 80 Cb -0.10 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.58 5rub s LEU 80 CO 0.26 -0.01 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.22 5rub s THR 81 N 1.49 1.72 -0.13 3.68 2.01 -0.70 0.47 115.64 124.17 5rub s THR 81 Ca 0.06 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.33 5rub s THR 81 Cb -0.15 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.81 5rub s THR 81 CO 0.06 0.48 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.72 5rub s LYS 82 N 1.05 3.05 -0.06 4.92 1.02 -0.24 0.23 119.74 129.71 5rub s LYS 82 Ca -0.04 -0.85 0.06 0.00 0.02 0.00 0.00 55.97 55.16 5rub s LYS 82 Cb -0.15 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 5rub s LYS 82 CO -0.04 0.05 -0.24 0.42 -0.92 0.00 0.00 175.35 174.62 5rub s ILE 83 N 0.66 1.96 -0.12 2.17 1.01 -0.13 -2.09 121.20 124.66 5rub s ILE 83 Ca -0.11 -1.01 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 5rub s ILE 83 Cb -0.16 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 5rub s ILE 83 CO 0.02 0.55 0.37 0.00 0.00 0.00 0.00 174.94 175.87 5rub s ALA 84 N -0.08 3.57 -0.26 9.38 0.00 0.23 -1.18 121.76 133.42 5rub s ALA 84 Ca -0.05 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.58 5rub s ALA 84 Cb -0.14 -2.48 0.05 0.00 0.00 0.00 0.00 23.12 20.55 5rub s ALA 84 CO 0.04 0.12 -0.08 0.71 0.00 0.00 0.00 175.76 176.54 5rub s TYR 85 N 0.31 3.18 0.23 0.00 1.51 -0.27 -0.85 117.35 121.45 5rub s TYR 85 Ca 0.21 -2.00 -0.31 0.00 -1.01 0.00 0.00 57.07 53.96 5rub s TYR 85 Cb -0.14 -2.00 -0.15 0.00 -0.11 0.00 0.00 41.96 39.57 5rub s TYR 85 CO 0.07 -0.83 1.15 -2.30 -1.11 0.00 0.00 175.55 172.54 5rub n PRO 86 N 4.54 1.39 0.30 -1.71 -0.02 -1.26 -1.06 135.00 137.18 5rub n PRO 86 Ca -0.15 0.49 0.20 0.00 -2.02 0.00 0.00 63.50 62.02 5rub n PRO 86 Cb 0.44 -1.97 1.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 2.49 0.00 0.00 -1.45 -1.51 -1.52 -2.58 116.25 111.68 5rub h VAL 87 Ca -0.42 -0.15 -0.00 0.00 -1.23 0.00 0.00 66.70 64.89 5rub h VAL 87 Cb 1.33 1.10 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 5rub h VAL 87 CO 0.68 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 177.00 5rub h ALA 88 N 2.01 1.02 0.00 5.19 0.00 -1.88 -2.71 119.26 122.89 5rub h ALA 88 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 5rub h ALA 88 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 5rub h ALA 88 CO 0.00 0.02 -0.22 -0.07 0.00 0.00 0.00 179.25 178.97 5rub h LEU 89 N 0.00 0.00 -9.65 0.00 4.07 -1.81 -3.45 115.31 104.48 5rub h LEU 89 Ca -0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.44 5rub h LEU 89 Cb 0.30 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 5rub h LEU 89 CO 0.00 0.22 0.23 -0.36 -1.08 0.00 0.00 178.44 177.46 5rub s PHE 90 N -3.91 3.85 0.57 1.13 0.08 -1.02 -5.03 117.98 113.64 5rub s PHE 90 Ca -0.01 1.66 -0.16 0.00 0.12 0.00 0.00 56.93 58.54 5rub s PHE 90 Cb 0.12 -2.87 -0.05 0.00 -0.57 0.00 0.00 43.02 39.65 5rub s PHE 90 CO 0.63 0.38 1.04 0.34 -0.10 0.00 0.00 175.22 177.51 5rub s ASP 91 N -0.62 6.01 0.04 1.36 3.68 -1.26 -5.07 116.67 120.81 5rub s ASP 91 Ca 0.39 1.76 -0.09 0.00 2.13 0.00 0.00 52.55 56.75 5rub s ASP 91 Cb -0.23 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.72 5rub s ASP 91 CO 0.27 -1.01 0.18 0.00 0.13 0.00 0.00 175.17 174.74 5rub s ARG 92 N -4.03 0.67 0.30 4.34 1.70 -1.26 -3.96 118.95 116.72 5rub s ARG 92 Ca 0.63 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 5rub s ARG 92 Cb -0.15 0.28 -0.11 0.00 -0.57 0.00 0.00 34.95 34.40 5rub s ARG 92 CO 0.35 -0.19 1.55 -0.80 -1.08 0.00 0.00 175.30 175.13 5rub s ASN 93 N -2.06 6.40 0.28 -2.89 0.02 0.03 -4.92 114.94 111.81 5rub s ASN 93 Ca -0.05 2.94 0.15 0.00 -1.02 0.00 0.00 52.86 54.87 5rub s ASN 93 Cb -0.01 -2.64 0.20 0.00 0.02 0.00 0.00 41.25 38.81 5rub s ASN 93 CO -0.04 -0.88 1.50 0.16 0.02 0.00 0.00 177.10 177.87 5rub h ILE 94 N 3.32 0.99 0.17 0.60 3.07 -1.95 -1.92 117.51 121.79 5rub h ILE 94 Ca -0.48 -2.20 -0.01 0.00 1.55 0.00 0.00 64.86 63.73 5rub h ILE 94 Cb 1.22 2.35 0.00 0.00 -0.27 0.00 0.00 36.82 40.12 5rub h ILE 94 CO 0.76 0.53 -0.08 0.71 -1.05 0.00 0.00 178.15 179.01 5rub h THR 95 N 0.00 0.82 0.00 0.16 1.35 -1.98 -3.42 112.91 109.85 5rub h THR 95 Ca -0.01 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 5rub h THR 95 Cb 1.31 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 5rub h THR 95 CO 0.07 0.21 0.00 -0.90 -0.25 0.00 0.00 175.52 174.65 5rub n ASP 96 N -4.93 1.14 0.00 5.36 5.68 -1.25 -5.02 116.55 117.52 5rub n ASP 96 Ca -0.08 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 5rub n ASP 96 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.28 3.00 3.75 6.12 0.00 -0.72 -4.99 105.19 112.08 5rub n GLY 97 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.18 2.92 0.99 1.61 1.02 -1.26 -4.30 119.74 120.53 5rub s LYS 98 Ca 0.00 1.78 -0.12 0.00 0.02 0.00 0.00 55.97 57.65 5rub s LYS 98 Cb 0.00 -1.93 0.18 0.00 -0.52 0.00 0.00 37.83 35.56 5rub s LYS 98 CO 0.00 -1.23 1.08 0.00 -0.92 0.00 0.00 175.35 174.28 5rub s ALA 99 N -1.68 0.94 -0.07 5.17 0.00 -0.74 -0.79 121.76 124.59 5rub s ALA 99 Ca 0.76 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 5rub s ALA 99 Cb -0.29 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.68 5rub s ALA 99 CO 0.34 -2.83 0.17 0.00 0.00 0.00 0.00 175.76 173.43 5rub s MET 100 N -4.85 0.15 0.35 0.00 0.23 -1.25 -4.82 119.30 109.10 5rub s MET 100 Ca 0.65 0.34 0.16 0.00 -1.03 0.00 0.00 55.69 55.81 5rub s MET 100 Cb -0.20 -0.07 0.63 0.00 -1.53 0.00 0.00 34.83 33.67 5rub s MET 100 CO 0.59 -0.11 1.73 0.97 -2.03 0.00 0.00 175.02 176.17 5rub h ILE 101 N 5.58 1.10 -0.82 3.16 6.09 -1.98 -3.14 117.51 127.51 5rub h ILE 101 Ca -0.36 -1.61 0.14 0.00 -1.37 0.00 0.00 64.86 61.67 5rub h ILE 101 Cb 1.17 1.92 -0.09 0.00 0.47 0.00 0.00 36.82 40.28 5rub h ILE 101 CO 0.41 0.43 0.40 0.00 -3.07 0.00 0.00 178.15 176.32 5rub h ALA 102 N 1.57 1.21 -0.16 0.18 0.00 -1.98 -0.49 119.26 119.59 5rub h ALA 102 Ca -0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 5rub h ALA 102 Cb 0.89 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 5rub h ALA 102 CO 0.06 -0.12 -0.08 1.03 0.00 0.00 0.00 179.25 180.14 5rub h SER 103 N 0.58 0.35 -0.62 0.00 0.87 -1.89 1.00 113.55 113.83 5rub h SER 103 Ca 0.44 -0.41 0.10 0.00 -1.23 0.00 0.00 61.79 60.69 5rub h SER 103 Cb 0.63 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.42 5rub h SER 103 CO -0.37 0.68 0.24 0.15 -0.53 0.00 0.00 176.83 177.00 5rub h PHE 104 N 0.01 0.41 -0.20 2.24 3.57 -1.39 -1.50 116.94 120.08 5rub h PHE 104 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 5rub h PHE 104 Cb 0.55 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 5rub h PHE 104 CO 0.07 0.10 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.06 5rub h LEU 105 N 0.42 0.45 -0.15 0.59 3.38 -0.81 -1.00 115.31 118.18 5rub h LEU 105 Ca 0.32 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.90 5rub h LEU 105 Cb 0.40 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 5rub h LEU 105 CO -0.31 0.77 -0.07 0.74 0.09 0.00 0.00 178.44 179.66 5rub h THR 106 N 0.12 0.77 -0.14 0.22 2.02 -0.40 0.45 112.91 115.95 5rub h THR 106 Ca 0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 5rub h THR 106 Cb 0.61 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 5rub h THR 106 CO 0.03 0.00 -0.10 -0.07 0.37 0.00 0.00 175.52 175.75 5rub h LEU 107 N -0.06 0.34 -0.89 2.58 4.07 -1.30 -1.32 115.31 118.74 5rub h LEU 107 Ca 0.08 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.59 5rub h LEU 107 Cb 0.18 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.82 5rub h LEU 107 CO -0.18 0.71 -0.48 0.35 -1.08 0.00 0.00 178.44 177.76 5rub n THR 108 N -4.61 0.00 -1.49 0.22 -2.24 -0.38 -4.58 114.28 101.20 5rub n THR 108 Ca -0.06 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 5rub n THR 108 Cb 0.32 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.17 0.00 0.00 -0.78 1.56 0.15 -4.99 117.12 112.88 5rub n MET 109 Ca 0.09 -0.47 0.00 0.00 -0.27 0.00 0.00 57.70 57.05 5rub n MET 109 Cb 0.45 -0.36 0.00 0.00 2.15 0.00 0.00 33.22 35.46 5rub n MET 109 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 5rub n GLY 110 N 0.00 -0.25 0.04 -5.12 0.00 -0.47 -4.55 105.19 94.85 5rub n GLY 110 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.93 5rub n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 5rub n ASN 111 N 0.00 0.14 0.00 1.61 3.02 -1.26 -1.06 115.26 117.71 5rub n ASN 111 Ca 0.00 0.56 0.10 0.00 -0.03 0.00 0.00 54.58 55.21 5rub n ASN 111 Cb 0.00 -0.58 0.48 0.00 -0.61 0.00 0.00 39.78 39.07 5rub n ASN 111 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 5rub n ASN 112 N -1.69 0.00 -0.78 6.41 2.04 -1.26 -1.77 115.26 118.22 5rub n ASN 112 Ca -0.00 0.04 0.12 0.00 -0.44 0.00 0.00 54.58 54.31 5rub n ASN 112 Cb 0.01 -0.30 0.30 0.00 -2.53 0.00 0.00 39.78 37.26 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 -1.30 2.05 0.00 -3.83 1.13 -0.22 -4.08 117.38 111.13 5rub n GLN 113 Ca 0.09 -1.55 0.00 0.00 -1.94 0.00 0.00 57.00 53.60 5rub n GLN 113 Cb 0.16 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.05 5rub n GLN 113 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 5rub n GLY 114 N 1.29 1.03 3.34 1.08 0.00 -0.73 -5.04 105.19 106.15 5rub n GLY 114 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 5rub n GLY 114 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 5rub n MET 115 N -0.29 -2.80 -0.08 1.61 2.81 -1.24 -5.02 117.12 112.12 5rub n MET 115 Ca 0.00 -0.80 -0.10 0.00 -1.81 0.00 0.00 57.70 54.99 5rub n MET 115 Cb 0.22 -1.95 -0.11 0.00 -0.71 0.00 0.00 33.22 30.67 5rub n MET 115 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 5rub n GLY 116 N 1.56 -0.54 0.58 3.03 0.00 -1.26 -4.54 105.19 104.02 5rub n GLY 116 Ca 0.04 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.76 1.75 -4.24 1.61 5.75 -1.26 -4.81 116.55 112.59 5rub n ASP 117 Ca -0.28 -1.73 -0.32 0.00 -0.01 0.00 0.00 54.79 52.44 5rub n ASP 117 Cb 0.94 -0.11 -0.16 0.00 -1.03 0.00 0.00 41.12 40.75 5rub n ASP 117 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 5rub s VAL 118 N -1.77 2.31 -0.08 2.12 1.01 -1.26 -0.64 120.40 122.09 5rub s VAL 118 Ca 0.32 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 5rub s VAL 118 Cb 0.17 -1.92 -0.19 0.00 0.00 0.00 0.00 36.38 34.45 5rub s VAL 118 CO 0.26 0.54 0.83 -0.08 0.00 0.00 0.00 175.10 176.65 5rub h GLU 119 N 6.98 -0.08 -3.25 2.72 4.81 -1.24 -3.45 114.58 121.08 5rub h GLU 119 Ca -0.26 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 5rub h GLU 119 Cb 1.21 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.48 5rub h GLU 119 CO 0.52 0.52 -0.04 1.52 -0.73 0.00 0.00 179.01 180.81 5rub s TYR 120 N -2.98 -0.27 -0.18 0.92 -0.85 -1.21 -5.03 117.35 107.75 5rub s TYR 120 Ca -0.14 0.03 -0.08 0.00 -0.52 0.00 0.00 57.07 56.36 5rub s TYR 120 Cb -0.01 0.29 0.07 0.00 0.38 0.00 0.00 41.96 42.70 5rub s TYR 120 CO 0.54 -0.70 0.41 0.00 -1.52 0.00 0.00 175.55 174.29 5rub s ALA 121 N -3.50 -1.07 -0.02 9.51 0.00 -1.16 -2.05 121.76 123.46 5rub s ALA 121 Ca 0.01 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.48 5rub s ALA 121 Cb 0.01 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 22.07 5rub s ALA 121 CO -0.10 -0.45 -0.04 0.21 0.00 0.00 0.00 175.76 175.38 5rub s LYS 122 N 1.86 0.52 -0.09 0.00 2.20 0.50 -3.18 119.74 121.55 5rub s LYS 122 Ca -0.06 -0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 55.14 5rub s LYS 122 Cb -0.10 -0.55 -0.01 0.00 -1.51 0.00 0.00 37.83 35.66 5rub s LYS 122 CO -0.13 0.01 0.99 1.41 -0.36 0.00 0.00 175.35 177.27 5rub s MET 123 N 0.41 4.44 -0.08 4.03 -2.45 -0.71 -0.42 119.30 124.52 5rub s MET 123 Ca -0.05 1.37 0.16 0.00 -1.25 0.00 0.00 55.69 55.92 5rub s MET 123 Cb -0.08 -3.53 -0.24 0.00 1.25 0.00 0.00 34.83 32.23 5rub s MET 123 CO -0.00 -0.27 0.23 0.72 1.05 0.00 0.00 175.02 176.75 5rub n HIS 124 N 4.84 0.00 -3.56 4.11 8.25 -0.89 -1.85 115.22 126.12 5rub n HIS 124 Ca 0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.48 5rub n HIS 124 Cb 0.49 -0.57 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 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 -4.42 -0.26 0.07 0.41 3.68 -1.21 -4.64 116.67 110.29 5rub s ASP 125 Ca -0.07 -0.05 -0.15 0.00 2.13 0.00 0.00 52.55 54.41 5rub s ASP 125 Cb 0.08 0.31 0.02 0.00 -1.45 0.00 0.00 42.92 41.89 5rub s ASP 125 CO 0.69 -0.52 0.34 0.72 0.13 0.00 0.00 175.17 176.53 5rub s PHE 126 N -2.89 -0.13 -0.09 -5.34 -0.71 -1.26 -1.46 117.98 106.10 5rub s PHE 126 Ca 0.08 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 55.91 5rub s PHE 126 Cb -0.01 0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.96 5rub s PHE 126 CO -0.06 -0.58 -0.11 -0.47 -1.34 0.00 0.00 175.22 172.66 5rub s TYR 127 N -3.05 1.51 -0.19 3.49 6.14 0.56 -4.86 117.35 120.96 5rub s TYR 127 Ca -0.02 -0.64 -0.01 0.00 0.64 0.00 0.00 57.07 57.04 5rub s TYR 127 Cb 0.01 -1.16 0.00 0.00 0.42 0.00 0.00 41.96 41.23 5rub s TYR 127 CO -0.06 -0.38 -0.12 0.14 0.64 0.00 0.00 175.55 175.77 5rub s VAL 128 N 1.04 2.78 0.90 3.14 -7.23 -1.26 -1.19 120.40 118.58 5rub s VAL 128 Ca -0.07 -0.71 -0.11 0.00 -1.81 0.00 0.00 61.98 59.28 5rub s VAL 128 Cb -0.15 -2.21 0.13 0.00 0.56 0.00 0.00 36.38 34.71 5rub s VAL 128 CO -0.01 0.49 1.09 -2.16 -0.31 0.00 0.00 175.10 174.20 5rub s PRO 129 N 1.21 1.23 0.22 4.82 0.04 -1.26 -4.62 135.00 136.64 5rub s PRO 129 Ca 0.02 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 5rub s PRO 129 Cb -0.14 -1.80 0.30 0.00 0.04 0.00 0.00 34.50 32.90 5rub s PRO 129 CO -0.05 -2.28 1.64 1.49 0.04 0.00 0.00 177.00 177.84 5rub h GLU 130 N -1.58 0.07 -0.89 4.56 4.22 -1.94 0.24 114.58 119.26 5rub h GLU 130 Ca -0.49 -0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.04 5rub h GLU 130 Cb 1.28 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 5rub h GLU 130 CO 0.53 0.04 0.54 0.00 -2.18 0.00 0.00 179.01 177.95 5rub h ALA 131 N 1.62 1.29 0.00 2.92 0.00 -1.92 -1.35 119.26 121.81 5rub h ALA 131 Ca 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 5rub h ALA 131 Cb 0.54 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 5rub h ALA 131 CO -0.60 0.19 -0.10 -0.92 0.00 0.00 0.00 179.25 177.82 5rub h TYR 132 N 0.91 0.00 -0.90 0.00 -0.00 -1.81 -3.34 116.97 111.82 5rub h TYR 132 Ca 0.42 0.00 0.25 0.00 -0.00 0.00 0.00 58.73 59.41 5rub h TYR 132 Cb 0.35 0.00 -0.15 0.00 -0.00 0.00 0.00 36.73 36.93 5rub h TYR 132 CO -0.04 0.07 0.21 -0.09 -0.00 0.00 0.00 178.16 178.31 5rub h ARG 133 N -1.00 0.15 0.00 1.82 2.43 -0.54 0.89 114.38 118.13 5rub h ARG 133 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 5rub h ARG 133 Cb 0.15 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 5rub h ARG 133 CO -0.00 0.10 0.00 0.00 -1.51 0.00 0.00 179.97 178.55 5rub n ALA 134 N -2.76 1.23 1.29 2.80 0.00 -0.51 -1.25 120.51 121.31 5rub n ALA 134 Ca 0.23 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.92 5rub n ALA 134 Cb 0.73 -1.28 0.40 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.08 1.11 -4.87 0.00 4.77 0.31 -4.92 117.00 111.33 5rub n LEU 135 Ca 0.00 -0.31 -0.31 0.00 -0.03 0.00 0.00 56.01 55.36 5rub n LEU 135 Cb 0.09 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 5rub n LEU 135 CO 0.11 0.20 0.33 -0.36 -1.33 0.00 0.00 177.39 176.34 5rub s PHE 136 N -2.41 3.42 0.11 -1.77 0.40 -0.38 -1.80 117.98 115.55 5rub s PHE 136 Ca 0.27 1.00 -0.29 0.00 -0.60 0.00 0.00 56.93 57.30 5rub s PHE 136 Cb 0.20 -2.37 -0.10 0.00 0.51 0.00 0.00 43.02 41.25 5rub s PHE 136 CO 0.49 0.12 1.61 -0.44 0.70 0.00 0.00 175.22 177.70 5rub h ASP 137 N 2.09 -0.96 -3.78 1.36 3.32 -1.85 -3.49 116.42 113.11 5rub h ASP 137 Ca -0.47 0.10 0.18 0.00 0.02 0.00 0.00 57.03 56.86 5rub h ASP 137 Cb 1.18 0.35 -0.09 0.00 0.22 0.00 0.00 39.33 40.99 5rub h ASP 137 CO 0.66 -0.44 -0.57 0.61 -1.72 0.00 0.00 179.24 177.79 5rub n GLY 138 N -1.43 -2.71 3.77 2.75 0.00 -0.64 -4.83 105.19 102.10 5rub n GLY 138 Ca -0.08 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.22 4.17 -0.09 1.61 0.02 -1.22 -4.23 135.00 132.03 5rub s PRO 139 Ca 0.00 2.49 0.05 0.00 0.02 0.00 0.00 61.00 63.56 5rub s PRO 139 Cb 0.00 -3.01 -0.24 0.00 0.02 0.00 0.00 34.50 31.27 5rub s PRO 139 CO 0.00 -0.49 0.48 0.45 -0.33 0.00 0.00 177.00 177.11 5rub n SER 140 N 1.09 1.39 -3.77 2.53 2.88 -1.26 -4.38 113.62 112.09 5rub n SER 140 Ca 0.03 0.29 -0.10 0.00 -1.33 0.00 0.00 58.87 57.77 5rub n SER 140 Cb 0.39 -0.36 -0.06 0.00 -0.75 0.00 0.00 64.21 63.44 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 -2.57 0.09 0.00 2.46 0.11 -1.26 -5.02 120.40 114.21 5rub s VAL 141 Ca -0.13 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 57.99 5rub s VAL 141 Cb 0.07 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 5rub s VAL 141 CO 0.79 -0.40 0.00 -0.46 -3.33 0.00 0.00 175.10 171.71 5rub n ASN 142 N -0.18 0.00 0.02 3.54 0.23 -1.26 -4.36 115.26 113.25 5rub n ASN 142 Ca -0.14 -0.05 0.22 0.00 -0.53 0.00 0.00 54.58 54.09 5rub n ASN 142 Cb 0.63 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 39.04 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 0.05 0.33 0.00 1.53 2.10 -1.92 0.76 117.51 120.36 5rub h ILE 143 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 5rub h ILE 143 Cb 0.00 0.55 -0.00 0.00 -1.09 0.00 0.00 36.82 36.28 5rub h ILE 143 CO 0.00 0.00 -0.08 0.77 -1.08 0.00 0.00 178.15 177.76 5rub h SER 144 N 0.00 0.00 -0.23 2.19 4.64 -1.95 0.60 113.55 118.79 5rub h SER 144 Ca 0.26 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.46 5rub h SER 144 Cb 1.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 5rub h SER 144 CO -0.00 0.08 -0.26 0.00 -0.87 0.00 0.00 176.83 175.77 5rub h ALA 145 N 1.92 0.88 -0.02 5.18 0.00 -1.23 -2.26 119.26 123.73 5rub h ALA 145 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 5rub h ALA 145 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.85 5rub h ALA 145 CO 0.01 0.63 -0.16 -0.07 0.00 0.00 0.00 179.25 179.66 5rub h LEU 146 N 0.62 0.17 -0.33 0.00 3.38 -1.09 -2.96 115.31 115.10 5rub h LEU 146 Ca 0.08 -0.70 0.07 0.00 0.09 0.00 0.00 57.88 57.42 5rub h LEU 146 Cb 0.77 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 5rub h LEU 146 CO 0.06 0.85 -0.34 -0.50 0.09 0.00 0.00 178.44 178.60 5rub h TRP 147 N -0.49 -0.94 -0.60 1.13 6.55 0.27 0.16 115.95 122.02 5rub h TRP 147 Ca -0.01 0.05 0.12 0.00 0.95 0.00 0.00 58.89 60.00 5rub h TRP 147 Cb 0.86 0.46 -0.12 0.00 -0.86 0.00 0.00 29.16 29.50 5rub h TRP 147 CO 0.16 -0.39 -0.22 -0.22 -1.05 0.00 0.00 178.44 176.71 5rub h LYS 148 N -0.30 -0.07 -0.84 0.49 3.64 -1.48 0.08 116.57 118.10 5rub h LYS 148 Ca 0.15 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 5rub h LYS 148 Cb 0.55 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 5rub h LYS 148 CO -0.50 -0.05 0.43 0.28 -2.27 0.00 0.00 179.45 177.35 5rub h VAL 149 N -0.07 1.25 0.00 2.00 2.07 -0.84 -2.32 116.25 118.33 5rub h VAL 149 Ca 0.28 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.13 5rub h VAL 149 Cb 0.50 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 5rub h VAL 149 CO -0.66 0.29 0.00 0.18 0.02 0.00 0.00 177.57 177.41 5rub n LEU 150 N -4.32 0.02 -0.41 2.57 4.77 -0.05 -4.72 117.00 114.87 5rub n LEU 150 Ca 0.09 0.51 -0.03 0.00 -0.03 0.00 0.00 56.01 56.54 5rub n LEU 150 Cb 0.12 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 5rub n LEU 150 CO 0.39 -0.23 -0.03 0.61 -1.33 0.00 0.00 177.39 176.81 5rub n GLY 151 N 0.18 0.33 3.94 -0.72 0.00 -0.84 -4.80 105.19 103.28 5rub n GLY 151 Ca 0.04 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.29 2.91 0.40 1.61 0.52 -0.80 -5.01 118.95 114.29 5rub s ARG 152 Ca 0.01 -1.17 -0.25 0.00 -0.52 0.00 0.00 55.73 53.80 5rub s ARG 152 Cb -0.01 -2.67 -0.08 0.00 0.52 0.00 0.00 34.95 32.71 5rub s ARG 152 CO 0.01 0.00 1.17 -1.25 0.02 0.00 0.00 175.30 175.26 5rub s PRO 153 N -4.14 4.05 0.01 3.54 0.04 -1.26 -4.17 135.00 133.07 5rub s PRO 153 Ca 0.45 1.84 0.23 0.00 0.04 0.00 0.00 61.00 63.56 5rub s PRO 153 Cb -0.08 -2.67 0.98 0.00 0.04 0.00 0.00 34.50 32.76 5rub s PRO 153 CO 0.30 -0.32 1.73 0.39 0.04 0.00 0.00 177.00 179.14 5rub n GLU 154 N 0.07 0.01 -4.58 4.56 1.02 -1.26 -2.93 120.64 117.52 5rub n GLU 154 Ca 0.04 0.11 -0.33 0.00 -0.02 0.00 0.00 57.16 56.96 5rub n GLU 154 Cb 0.46 -1.51 -0.15 0.00 -0.02 0.00 0.00 31.44 30.22 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 -3.01 2.83 -1.49 2.62 1.01 -1.26 -4.72 120.40 116.37 5rub s VAL 155 Ca 0.11 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 5rub s VAL 155 Cb 0.15 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.39 5rub s VAL 155 CO 0.42 0.51 0.63 0.47 0.00 0.00 0.00 175.10 177.14 5rub n ASP 156 N 3.93 -1.90 0.10 3.32 10.43 -1.26 -4.88 116.55 126.28 5rub n ASP 156 Ca -0.19 -0.95 0.08 0.00 2.57 0.00 0.00 54.79 56.30 5rub n ASP 156 Cb 0.52 -3.22 0.39 0.00 1.84 0.00 0.00 41.12 40.65 5rub n ASP 156 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 5rub n GLY 157 N -1.74 -0.88 6.43 0.44 0.00 -1.15 -4.89 105.19 103.40 5rub n GLY 157 Ca -0.15 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 5rub n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5rub n GLY 158 N -0.92 -1.85 3.75 -0.02 0.00 -1.26 -4.76 105.19 100.12 5rub n GLY 158 Ca 0.00 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 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 4.38 -0.23 0.99 2.96 -0.62 -4.19 118.68 121.96 5rub s LEU 159 Ca 0.00 2.69 -0.03 0.00 -0.22 0.00 0.00 54.13 56.58 5rub s LEU 159 Cb 0.00 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.07 5rub s LEU 159 CO 0.00 -0.71 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.57 5rub s VAL 160 N -0.09 3.07 -0.29 1.68 1.01 -0.77 -5.01 120.40 120.00 5rub s VAL 160 Ca 0.59 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 5rub s VAL 160 Cb -0.42 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 5rub s VAL 160 CO 0.44 0.31 0.49 -0.69 0.00 0.00 0.00 175.10 175.65 5rub s VAL 161 N 1.40 5.07 0.35 2.92 1.01 -1.26 -0.19 120.40 129.70 5rub s VAL 161 Ca 0.03 0.63 0.05 0.00 0.00 0.00 0.00 61.98 62.69 5rub s VAL 161 Cb -0.15 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 5rub s VAL 161 CO -0.04 -0.01 0.20 -0.83 0.00 0.00 0.00 175.10 174.42 5rub s GLY 162 N 1.64 2.38 0.32 4.51 0.00 0.26 0.02 107.32 116.45 5rub s GLY 162 Ca 0.19 -1.69 -0.07 0.00 0.00 0.00 0.00 44.72 43.15 5rub s GLY 162 CO 0.11 -1.62 0.51 -1.08 0.00 0.00 0.00 173.10 171.01 5rub s THR 163 N -3.40 0.00 -0.13 0.90 -1.32 0.14 -2.17 115.64 109.65 5rub s THR 163 Ca 0.33 -1.48 0.02 0.00 -1.21 0.00 0.00 61.69 59.35 5rub s THR 163 Cb 0.03 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 5rub s THR 163 CO 0.21 0.00 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.79 5rub s ILE 164 N -3.24 2.32 0.17 5.08 1.01 -1.26 -1.32 121.20 123.95 5rub s ILE 164 Ca 0.27 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 59.71 5rub s ILE 164 Cb -0.01 -1.94 -0.09 0.00 0.01 0.00 0.00 42.46 40.44 5rub s ILE 164 CO 0.16 0.54 1.39 -0.63 0.00 0.00 0.00 174.94 176.40 5rub s ILE 165 N 0.67 3.12 0.09 2.92 -1.09 -1.16 -4.93 121.20 120.82 5rub s ILE 165 Ca -0.10 0.86 0.10 0.00 -2.23 0.00 0.00 60.65 59.28 5rub s ILE 165 Cb -0.16 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 5rub s ILE 165 CO 0.02 0.10 -0.25 -0.54 -1.23 0.00 0.00 174.94 173.04 5rub s LYS 166 N 0.51 1.45 0.66 2.79 3.01 -1.26 -4.28 119.74 122.61 5rub s LYS 166 Ca 0.62 -1.20 -0.17 0.00 -1.01 0.00 0.00 55.97 54.21 5rub s LYS 166 Cb -0.38 -1.77 -0.00 0.00 -1.01 0.00 0.00 37.83 34.67 5rub s LYS 166 CO 0.35 0.43 1.18 -1.25 0.51 0.00 0.00 175.35 176.57 5rub s PRO 167 N -1.70 2.64 0.25 -1.68 0.04 -1.26 -5.05 135.00 128.23 5rub s PRO 167 Ca 0.11 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 5rub s PRO 167 Cb -0.10 -1.90 0.35 0.00 0.04 0.00 0.00 34.50 32.89 5rub s PRO 167 CO 0.04 -1.43 1.58 -0.22 0.04 0.00 0.00 177.00 177.00 5rub h LYS 168 N 0.26 -0.01 -3.56 4.56 3.64 -2.00 -3.42 116.57 116.05 5rub h LYS 168 Ca -0.49 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.78 5rub h LYS 168 Cb 1.28 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.93 5rub h LYS 168 CO 0.53 -0.01 -0.42 -0.51 -2.27 0.00 0.00 179.45 176.77 5rub s LEU 169 N -11.08 1.42 0.00 5.20 1.43 -1.26 -4.55 118.68 109.84 5rub s LEU 169 Ca -0.15 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 5rub s LEU 169 Cb 0.23 0.89 0.00 0.00 0.03 0.00 0.00 46.19 47.34 5rub s LEU 169 CO 0.75 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 177.42 5rub n GLY 170 N 0.82 3.65 3.74 -3.19 0.00 -1.26 -5.12 105.19 103.83 5rub n GLY 170 Ca -0.19 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 4.46 0.79 0.99 1.43 -1.26 -5.04 118.68 120.04 5rub s LEU 171 Ca 0.00 2.32 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 5rub s LEU 171 Cb 0.00 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.67 5rub s LEU 171 CO 0.00 -0.38 1.12 -0.13 0.23 0.00 0.00 176.35 177.19 5rub s ARG 172 N -0.59 2.17 0.16 1.70 0.52 -1.26 -4.71 118.95 116.95 5rub s ARG 172 Ca 0.52 0.41 -0.22 0.00 -0.52 0.00 0.00 55.73 55.91 5rub s ARG 172 Cb -0.34 -1.95 0.06 0.00 0.52 0.00 0.00 34.95 33.25 5rub s ARG 172 CO 0.39 -1.51 1.61 -1.35 0.02 0.00 0.00 175.30 174.46 5rub h PRO 173 N -1.00 -0.23 0.63 3.54 0.11 -1.93 0.99 132.00 134.11 5rub h PRO 173 Ca -0.47 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 5rub h PRO 173 Cb 1.29 0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.45 5rub h PRO 173 CO 0.63 -0.15 -0.30 -0.22 -0.21 0.00 0.00 178.00 177.74 5rub h LYS 174 N -0.24 -0.82 -0.98 1.05 3.64 -1.94 -1.71 116.57 115.57 5rub h LYS 174 Ca 0.17 0.06 0.22 0.00 -1.27 0.00 0.00 60.65 59.83 5rub h LYS 174 Cb 0.52 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.41 5rub h LYS 174 CO -0.51 -0.50 0.57 -1.35 -2.27 0.00 0.00 179.45 175.39 5rub h PRO 175 N -1.06 0.61 -0.32 1.90 0.11 -1.93 0.92 132.00 132.23 5rub h PRO 175 Ca -0.09 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.92 5rub h PRO 175 Cb 0.69 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 5rub h PRO 175 CO 0.14 0.40 -0.05 0.35 -0.21 0.00 0.00 178.00 178.64 5rub h PHE 176 N 0.63 0.66 -0.46 0.65 3.04 -0.58 -2.67 116.94 118.20 5rub h PHE 176 Ca 0.61 -0.13 -0.11 0.00 3.98 0.00 0.00 57.97 62.31 5rub h PHE 176 Cb 1.07 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 5rub h PHE 176 CO -0.02 0.75 -0.16 0.00 -2.02 0.00 0.00 178.31 176.85 5rub h ALA 177 N 0.82 0.83 -0.60 2.41 0.00 -0.25 -2.38 119.26 120.10 5rub h ALA 177 Ca 0.08 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 5rub h ALA 177 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 5rub h ALA 177 CO 0.03 0.65 0.00 0.93 0.00 0.00 0.00 179.25 180.86 5rub h GLU 178 N 0.79 1.04 -0.07 0.00 4.39 -0.87 0.43 114.58 120.29 5rub h GLU 178 Ca 0.12 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 5rub h GLU 178 Cb 0.70 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 5rub h GLU 178 CO 0.05 1.02 -0.22 0.00 -1.16 0.00 0.00 179.01 178.70 5rub h ALA 179 N 1.04 1.51 0.06 3.43 0.00 -1.29 -0.27 119.26 123.74 5rub h ALA 179 Ca 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 5rub h ALA 179 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 5rub h ALA 179 CO 0.03 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 179.60 5rub h HIS 181 N -0.66 0.20 -0.11 0.00 6.17 -0.64 -1.95 115.15 118.17 5rub h HIS 181 Ca -0.01 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.09 5rub h HIS 181 Cb 0.56 -0.01 -0.00 0.00 2.52 0.00 0.00 27.41 30.47 5rub h HIS 181 CO 0.11 -0.00 0.03 0.00 0.71 0.00 0.00 177.93 178.78 5rub h ALA 182 N 1.42 0.14 -0.16 5.26 0.00 -1.08 -2.94 119.26 121.90 5rub h ALA 182 Ca 0.28 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 5rub h ALA 182 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 5rub h ALA 182 CO -0.35 -0.25 -0.23 0.35 0.00 0.00 0.00 179.25 178.77 5rub h PHE 183 N -0.01 0.30 0.00 0.00 3.04 -1.02 -2.46 116.94 116.78 5rub h PHE 183 Ca 0.03 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.93 5rub h PHE 183 Cb 0.21 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.65 5rub h PHE 183 CO -0.00 0.49 0.00 0.91 -2.02 0.00 0.00 178.31 177.69 5rub n TRP 184 N -4.17 0.09 0.14 0.41 8.01 -0.77 -0.47 117.44 120.67 5rub n TRP 184 Ca -0.01 0.04 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 5rub n TRP 184 Cb 0.35 -0.57 0.13 0.00 -2.01 0.00 0.00 31.31 29.22 5rub n TRP 184 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 5rub h LEU 185 N 0.00 0.00 0.00 -0.99 3.38 -1.36 -3.36 115.31 112.98 5rub h LEU 185 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 5rub h LEU 185 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 5rub h LEU 185 CO 0.00 0.61 -1.42 0.61 0.09 0.00 0.00 178.44 178.33 5rub n GLY 186 N 0.63 -0.29 3.90 0.83 0.00 -0.67 -5.04 105.19 104.55 5rub n GLY 186 Ca -0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.81 2.26 -0.25 -0.02 0.00 0.38 -4.17 107.32 101.70 5rub s GLY 187 Ca -0.03 -1.52 -0.03 0.00 0.00 0.00 0.00 44.72 43.13 5rub s GLY 187 CO 0.25 -1.87 -0.21 1.22 0.00 0.00 0.00 173.10 172.49 5rub n ASP 188 N -1.73 1.98 -4.12 1.64 10.43 0.10 -4.46 116.55 120.39 5rub n ASP 188 Ca 0.01 0.02 -0.24 0.00 2.57 0.00 0.00 54.79 57.15 5rub n ASP 188 Cb 0.64 -0.56 -0.16 0.00 1.84 0.00 0.00 41.12 42.88 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 1.49 -0.01 1.24 2.19 -0.51 0.08 117.98 119.94 5rub s PHE 189 Ca -0.35 -0.36 0.03 0.00 0.33 0.00 0.00 56.93 56.58 5rub s PHE 189 Cb 0.10 -0.99 -0.01 0.00 -1.31 0.00 0.00 43.02 40.81 5rub s PHE 189 CO 0.58 -0.10 -0.12 0.42 1.83 0.00 0.00 175.22 177.84 5rub s ILE 190 N -0.11 0.92 0.04 3.12 1.01 -0.87 -0.69 121.20 124.63 5rub s ILE 190 Ca 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.25 5rub s ILE 190 Cb -0.09 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 5rub s ILE 190 CO 0.01 0.27 -0.23 -1.59 0.00 0.00 0.00 174.94 173.39 5rub s LYS 191 N -0.18 1.57 0.67 2.79 -2.85 -0.43 -0.32 119.74 120.99 5rub s LYS 191 Ca 0.03 -1.00 -0.17 0.00 -1.00 0.00 0.00 55.97 53.82 5rub s LYS 191 Cb -0.06 -1.71 -0.00 0.00 -2.06 0.00 0.00 37.83 34.00 5rub s LYS 191 CO -0.00 0.44 1.22 0.09 0.10 0.00 0.00 175.35 177.20 5rub n ASN 192 N 1.85 1.70 -4.83 0.03 5.03 -0.15 -2.97 115.26 115.92 5rub n ASN 192 Ca -0.17 0.79 -0.32 0.00 0.87 0.00 0.00 54.58 55.74 5rub n ASN 192 Cb 0.53 -1.52 -0.02 0.00 -1.02 0.00 0.00 39.78 37.75 5rub n ASN 192 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 5rub s ASP 193 N -1.47 6.32 0.09 6.41 3.68 -1.26 -4.86 116.67 125.58 5rub s ASP 193 Ca 0.80 1.65 -0.18 0.00 2.13 0.00 0.00 52.55 56.96 5rub s ASP 193 Cb -0.37 -2.52 -0.04 0.00 -1.45 0.00 0.00 42.92 38.54 5rub s ASP 193 CO 0.43 -0.80 0.88 -1.84 0.13 0.00 0.00 175.17 173.97 5rub n GLU 194 N -1.78 -0.25 0.09 4.34 0.28 -1.26 -2.01 120.64 120.05 5rub n GLU 194 Ca 0.07 0.87 0.13 0.00 -0.16 0.00 0.00 57.16 58.07 5rub n GLU 194 Cb 0.54 -1.27 0.45 0.00 1.43 0.00 0.00 31.44 32.58 5rub n GLU 194 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 5rub n PRO 195 N -4.70 0.21 -1.99 3.44 -0.04 -1.26 -4.88 135.00 125.77 5rub n PRO 195 Ca 0.01 0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 63.28 5rub n PRO 195 Cb 0.15 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 5rub n PRO 195 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 5rub s GLN 196 N -3.13 4.20 0.00 0.54 -0.21 -0.85 -4.78 119.66 115.43 5rub s GLN 196 Ca 0.10 2.24 0.00 0.00 0.02 0.00 0.00 55.36 57.71 5rub s GLN 196 Cb 0.12 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.39 5rub s GLN 196 CO 0.54 -0.75 0.00 0.41 -2.12 0.00 0.00 175.29 173.36 5rub n GLY 197 N 4.00 0.98 2.66 3.09 0.00 -1.26 -4.66 105.19 110.00 5rub n GLY 197 Ca 0.16 0.35 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 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 5.65 -4.77 1.61 5.15 -1.26 -3.28 115.26 118.35 5rub n ASN 198 Ca 0.00 -3.75 -0.36 0.00 -0.60 0.00 0.00 54.58 49.87 5rub n ASN 198 Cb 0.00 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 38.57 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 -3.73 3.45 0.41 1.20 1.11 -1.25 -4.72 119.66 116.13 5rub s GLN 199 Ca 0.49 1.73 0.09 0.00 0.01 0.00 0.00 55.36 57.68 5rub s GLN 199 Cb 0.39 -2.16 0.90 0.00 -1.01 0.00 0.00 33.01 31.13 5rub s GLN 199 CO -0.25 -0.80 2.02 -1.35 0.01 0.00 0.00 175.29 174.92 5rub h PRO 200 N 1.50 0.52 -0.00 2.91 0.11 -1.99 -1.27 132.00 133.77 5rub h PRO 200 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 5rub h PRO 200 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 5rub h PRO 200 CO 0.58 0.34 -0.03 1.97 -0.21 0.00 0.00 178.00 180.65 5rub n PHE 201 N -4.47 0.00 -2.92 0.65 -1.74 -1.26 -4.36 117.46 103.36 5rub n PHE 201 Ca 0.06 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.82 5rub n PHE 201 Cb 0.19 -0.21 0.00 0.00 1.52 0.00 0.00 39.48 40.99 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 -1.13 -0.01 -1.73 1.98 0.00 -0.51 -4.51 120.51 114.61 5rub n ALA 202 Ca 0.16 -2.12 -0.42 0.00 0.00 0.00 0.00 53.44 51.05 5rub n ALA 202 Cb 0.23 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 1.62 2.41 -0.12 0.00 -0.02 -1.02 -3.77 135.00 134.10 5rub n PRO 203 Ca 0.14 0.85 -0.05 0.00 -2.02 0.00 0.00 63.50 62.41 5rub n PRO 203 Cb 0.59 -2.54 0.03 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.59 0.11 -0.45 2.45 6.46 -1.82 -1.14 115.31 124.50 5rub h LEU 204 Ca -0.47 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.41 5rub h LEU 204 Cb 1.26 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 41.17 5rub h LEU 204 CO 0.70 0.10 0.08 0.03 -0.62 0.00 0.00 178.44 178.73 5rub h ARG 205 N 0.27 0.21 0.04 1.25 3.08 -1.90 0.21 114.38 117.53 5rub h ARG 205 Ca 0.18 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 5rub h ARG 205 Cb 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.18 5rub h ARG 205 CO -0.20 0.14 -0.02 -0.44 -1.07 0.00 0.00 179.97 178.38 5rub h ASP 206 N 0.22 -0.04 -0.11 7.04 3.32 -1.89 -2.80 116.42 122.15 5rub h ASP 206 Ca 0.22 -0.49 0.03 0.00 0.02 0.00 0.00 57.03 56.81 5rub h ASP 206 Cb 0.29 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 5rub h ASP 206 CO -0.30 0.48 -0.05 0.74 -1.72 0.00 0.00 179.24 178.40 5rub h THR 207 N -0.59 0.84 -0.58 0.35 2.02 -1.09 -2.23 112.91 111.64 5rub h THR 207 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 5rub h THR 207 Cb 0.53 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 5rub h THR 207 CO 0.01 0.00 0.33 0.40 0.37 0.00 0.00 175.52 176.62 5rub h ILE 208 N -0.03 1.19 -0.71 3.11 1.08 -0.67 0.27 117.51 121.74 5rub h ILE 208 Ca 0.06 -0.46 0.03 0.00 -0.39 0.00 0.00 64.86 64.11 5rub h ILE 208 Cb 0.12 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 34.26 5rub h ILE 208 CO -0.13 0.20 0.44 0.00 -0.69 0.00 0.00 178.15 177.97 5rub h ALA 209 N 1.15 0.93 -0.45 1.87 0.00 -1.21 -0.46 119.26 121.10 5rub h ALA 209 Ca 0.20 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 5rub h ALA 209 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 5rub h ALA 209 CO -0.03 0.22 -0.08 -0.07 0.00 0.00 0.00 179.25 179.28 5rub h LEU 210 N 0.86 0.85 -0.58 0.00 3.38 -0.80 -2.66 115.31 116.37 5rub h LEU 210 Ca 0.29 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 5rub h LEU 210 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 5rub h LEU 210 CO -0.12 1.00 0.20 0.58 0.09 0.00 0.00 178.44 180.20 5rub h VAL 211 N 0.69 1.23 -0.85 1.22 2.07 0.20 -1.71 116.25 119.10 5rub h VAL 211 Ca 0.12 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 66.93 5rub h VAL 211 Cb 0.61 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 5rub h VAL 211 CO 0.04 0.29 0.53 0.00 0.02 0.00 0.00 177.57 178.45 5rub h ALA 212 N 1.06 1.16 -0.04 1.67 0.00 -0.96 -1.74 119.26 120.41 5rub h ALA 212 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 5rub h ALA 212 Cb 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 5rub h ALA 212 CO -0.01 0.30 -0.01 0.22 0.00 0.00 0.00 179.25 179.75 5rub h ASP 213 N 0.99 0.07 -0.65 0.00 1.82 -1.21 -2.07 116.42 115.37 5rub h ASP 213 Ca 0.36 -0.37 0.15 0.00 -0.39 0.00 0.00 57.03 56.78 5rub h ASP 213 Cb 0.13 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.08 5rub h ASP 213 CO -0.16 0.43 0.45 0.00 -1.61 0.00 0.00 179.24 178.34 5rub h ALA 214 N 0.65 2.26 -0.03 -0.78 0.00 -0.86 0.35 119.26 120.84 5rub h ALA 214 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 5rub h ALA 214 Cb 0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 5rub h ALA 214 CO 0.00 -0.43 -0.04 1.98 0.00 0.00 0.00 179.25 180.76 5rub h MET 215 N 0.25 0.09 -0.21 0.00 1.85 -1.17 -2.08 114.93 113.66 5rub h MET 215 Ca 0.32 -0.05 0.01 0.00 -0.61 0.00 0.00 59.70 59.37 5rub h MET 215 Cb 0.88 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.90 5rub h MET 215 CO -0.07 0.58 0.11 0.00 -0.40 0.00 0.00 176.91 177.12 5rub h ARG 216 N -0.39 0.22 -0.26 0.39 3.08 -0.24 -0.73 114.38 116.44 5rub h ARG 216 Ca 0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 5rub h ARG 216 Cb 0.56 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 5rub h ARG 216 CO 0.01 0.15 0.13 0.00 -1.07 0.00 0.00 179.97 179.19 5rub h ARG 217 N 0.23 0.26 -0.02 0.04 3.08 -1.30 -0.22 114.38 116.46 5rub h ARG 217 Ca 0.09 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 5rub h ARG 217 Cb 0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 5rub h ARG 217 CO -0.06 0.17 -0.54 0.00 -1.07 0.00 0.00 179.97 178.47 5rub h ALA 218 N 1.13 1.06 -0.11 0.04 0.00 -1.31 -0.95 119.26 119.13 5rub h ALA 218 Ca 0.11 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 5rub h ALA 218 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 5rub h ALA 218 CO -0.08 0.68 -0.32 1.96 0.00 0.00 0.00 179.25 181.50 5rub h GLN 219 N 0.05 0.41 0.13 0.00 4.20 -0.43 -2.50 115.11 116.97 5rub h GLN 219 Ca -0.00 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 5rub h GLN 219 Cb 0.97 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.80 5rub h GLN 219 CO 0.07 0.91 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.64 5rub h ASP 220 N -0.02 -0.15 0.20 1.46 3.45 -1.02 -1.26 116.42 119.07 5rub h ASP 220 Ca -0.01 -0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.28 5rub h ASP 220 Cb 0.94 0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.75 5rub h ASP 220 CO 0.07 0.05 -0.13 -0.33 -1.57 0.00 0.00 179.24 177.33 5rub h GLU 221 N -0.35 0.00 0.00 3.56 5.08 -1.21 -3.26 114.58 118.40 5rub h GLU 221 Ca -0.02 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 5rub h GLU 221 Cb 0.28 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 5rub h GLU 221 CO 0.03 0.13 -2.30 2.41 -1.00 0.00 0.00 179.01 178.28 5rub n THR 222 N -4.10 1.28 -1.09 1.13 -1.04 -0.94 -4.99 114.28 104.53 5rub n THR 222 Ca -0.02 -0.82 -0.03 0.00 -2.04 0.00 0.00 64.05 61.13 5rub n THR 222 Cb 0.21 -0.46 -0.01 0.00 -1.82 0.00 0.00 70.33 68.25 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 1.69 0.59 3.36 3.41 0.00 -0.48 -5.02 105.19 108.74 5rub n GLY 223 Ca -0.29 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.54 1.73 0.40 1.61 2.02 -1.24 -5.07 118.70 116.61 5rub s GLU 224 Ca 0.00 -1.16 -0.25 0.00 0.02 0.00 0.00 54.97 53.58 5rub s GLU 224 Cb 0.00 -1.97 -0.08 0.00 0.10 0.00 0.00 34.13 32.18 5rub s GLU 224 CO 0.00 0.50 1.14 0.00 0.02 0.00 0.00 175.26 176.92 5rub s ALA 225 N -0.86 3.13 0.21 5.21 0.00 -1.26 -4.47 121.76 123.72 5rub s ALA 225 Ca 0.12 0.90 0.09 0.00 0.00 0.00 0.00 51.96 53.08 5rub s ALA 225 Cb -0.10 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 5rub s ALA 225 CO 0.03 -0.46 -0.16 0.15 0.00 0.00 0.00 175.76 175.31 5rub s LYS 226 N -2.35 1.39 0.05 0.00 -0.14 -1.26 -4.90 119.74 112.53 5rub s LYS 226 Ca 0.57 -1.59 0.06 0.00 -1.36 0.00 0.00 55.97 53.65 5rub s LYS 226 Cb -0.29 -1.30 -0.03 0.00 -1.68 0.00 0.00 37.83 34.54 5rub s LYS 226 CO 0.36 0.23 -0.18 -0.51 -0.76 0.00 0.00 175.35 174.49 5rub s LEU 227 N -3.24 2.20 -0.01 3.17 1.43 0.11 -4.80 118.68 117.54 5rub s LEU 227 Ca 0.23 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 5rub s LEU 227 Cb -0.03 -0.80 -0.00 0.00 0.03 0.00 0.00 46.19 45.39 5rub s LEU 227 CO 0.09 0.08 -0.09 0.12 0.23 0.00 0.00 176.35 176.78 5rub s PHE 228 N -0.91 0.85 -0.37 0.29 5.36 -0.67 -2.04 117.98 120.48 5rub s PHE 228 Ca 0.05 -0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 55.80 5rub s PHE 228 Cb -0.09 -0.57 0.08 0.00 -0.34 0.00 0.00 43.02 42.10 5rub s PHE 228 CO 0.02 -0.05 0.15 0.45 -1.46 0.00 0.00 175.22 174.33 5rub s SER 229 N -0.05 5.22 -0.24 6.13 0.15 0.57 -0.41 113.70 125.06 5rub s SER 229 Ca 0.01 -1.67 -0.14 0.00 0.70 0.00 0.00 55.95 54.85 5rub s SER 229 Cb -0.05 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 5rub s SER 229 CO -0.00 -0.45 0.32 0.00 1.20 0.00 0.00 173.24 174.31 5rub s ALA 230 N 1.24 3.57 -0.03 5.45 0.00 -0.19 -0.98 121.76 130.81 5rub s ALA 230 Ca 0.03 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 5rub s ALA 230 Cb -0.22 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.25 5rub s ALA 230 CO -0.02 -0.44 1.68 1.21 0.00 0.00 0.00 175.76 178.19 5rub s ASN 231 N 1.34 6.64 0.00 0.00 2.47 -1.26 -0.87 114.94 123.26 5rub s ASN 231 Ca 0.14 2.31 0.00 0.00 0.42 0.00 0.00 52.86 55.73 5rub s ASN 231 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 5rub s ASN 231 CO 0.08 -0.93 0.88 2.30 -3.72 0.00 0.00 177.10 175.71 5rub n ILE 232 N 5.36 0.77 -1.69 -5.21 -5.35 0.14 -4.90 119.36 108.48 5rub n ILE 232 Ca 0.17 -0.82 -0.44 0.00 -0.27 0.00 0.00 62.75 61.40 5rub n ILE 232 Cb 0.42 0.63 -0.02 0.00 -1.74 0.00 0.00 39.64 38.93 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 -0.38 1.19 -3.81 7.28 -1.04 -1.24 -4.43 114.28 111.85 5rub n THR 233 Ca 0.00 -0.30 -0.08 0.00 -2.04 0.00 0.00 64.05 61.63 5rub n THR 233 Cb 0.25 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.14 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 -0.27 -1.13 -0.03 2.41 0.00 -1.26 -4.96 121.76 116.52 5rub s ALA 234 Ca 0.64 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.21 5rub s ALA 234 Cb -0.60 0.88 -0.32 0.00 0.00 0.00 0.00 23.12 23.08 5rub s ALA 234 CO 0.52 -0.97 0.76 -0.44 0.00 0.00 0.00 175.76 175.63 5rub h ASP 235 N 2.05 0.68 -3.30 0.00 3.45 -1.96 -3.45 116.42 113.89 5rub h ASP 235 Ca -0.22 -0.92 -0.59 0.00 0.43 0.00 0.00 57.03 55.72 5rub h ASP 235 Cb 1.26 -0.22 -0.09 0.00 -0.56 0.00 0.00 39.33 39.72 5rub h ASP 235 CO 0.27 1.76 0.43 -0.62 -1.57 0.00 0.00 179.24 179.52 5rub s ASP 236 N -7.37 6.84 0.43 6.45 3.68 -1.26 -4.96 116.67 120.49 5rub s ASP 236 Ca -0.14 1.04 0.19 0.00 2.13 0.00 0.00 52.55 55.77 5rub s ASP 236 Cb 0.05 -2.43 1.14 0.00 -1.45 0.00 0.00 42.92 40.22 5rub s ASP 236 CO 0.88 -0.48 1.85 -0.65 0.13 0.00 0.00 175.17 176.90 5rub h PRO 237 N 7.61 0.34 0.00 4.34 0.11 -1.95 0.32 132.00 142.77 5rub h PRO 237 Ca -0.25 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 5rub h PRO 237 Cb 1.10 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 5rub h PRO 237 CO 0.86 0.23 -0.15 0.74 -0.21 0.00 0.00 178.00 179.47 5rub h PHE 238 N 0.35 0.00 0.08 0.65 0.04 -1.98 -0.55 116.94 115.53 5rub h PHE 238 Ca 0.48 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 61.09 5rub h PHE 238 Cb 1.27 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.44 5rub h PHE 238 CO -0.00 0.15 -0.65 1.49 -0.60 0.00 0.00 178.31 178.69 5rub h GLU 239 N 0.00 0.31 -0.34 1.51 4.57 -0.83 -2.24 114.58 117.56 5rub h GLU 239 Ca -0.00 -0.43 0.03 0.00 -1.18 0.00 0.00 59.36 57.77 5rub h GLU 239 Cb 0.81 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.52 5rub h GLU 239 CO 0.02 1.16 0.16 0.82 -1.18 0.00 0.00 179.01 179.99 5rub h ILE 240 N -0.33 0.97 -0.39 2.32 2.04 -0.79 -0.49 117.51 120.84 5rub h ILE 240 Ca -0.10 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 5rub h ILE 240 Cb 1.45 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 5rub h ILE 240 CO 0.12 0.06 0.15 0.40 0.00 0.00 0.00 178.15 178.88 5rub h ILE 241 N 0.33 1.20 -0.49 -0.67 2.04 -1.20 -1.99 117.51 116.73 5rub h ILE 241 Ca 0.14 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 5rub h ILE 241 Cb 0.07 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 5rub h ILE 241 CO -0.11 0.22 -0.08 0.00 0.00 0.00 0.00 178.15 178.18 5rub h ALA 242 N 0.99 0.93 0.32 1.87 0.00 -0.97 -0.72 119.26 121.68 5rub h ALA 242 Ca 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 5rub h ALA 242 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.81 5rub h ALA 242 CO -0.01 0.63 -0.15 0.00 0.00 0.00 0.00 179.25 179.71 5rub h ARG 243 N 0.80 -0.41 -0.38 0.00 3.08 -0.90 -1.67 114.38 114.90 5rub h ARG 243 Ca 0.14 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.28 5rub h ARG 243 Cb 0.60 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 5rub h ARG 243 CO 0.04 -0.24 0.03 0.78 -1.07 0.00 0.00 179.97 179.51 5rub h GLY 244 N -0.49 0.40 1.09 0.04 0.00 -1.30 -0.87 103.07 101.93 5rub h GLY 244 Ca -0.04 0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 5rub h GLY 244 CO 0.07 -0.07 -0.10 0.83 0.00 0.00 0.00 176.54 177.27 5rub h GLU 245 N 0.14 1.02 -0.18 4.80 5.08 -1.09 -1.72 114.58 122.63 5rub h GLU 245 Ca 0.18 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 5rub h GLU 245 Cb 0.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 5rub h GLU 245 CO -0.28 1.06 0.07 -0.92 -1.00 0.00 0.00 179.01 177.94 5rub h TYR 246 N 0.90 0.26 0.31 4.33 3.20 -0.84 -2.52 116.97 122.61 5rub h TYR 246 Ca 0.14 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 5rub h TYR 246 Cb 0.67 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 5rub h TYR 246 CO 0.05 0.32 -0.30 0.28 -1.64 0.00 0.00 178.16 176.87 5rub h VAL 247 N 0.13 0.38 -0.77 1.81 2.07 -1.13 -2.04 116.25 116.69 5rub h VAL 247 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 5rub h VAL 247 Cb 0.16 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 5rub h VAL 247 CO -0.01 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.79 5rub h LEU 248 N -0.63 1.10 -0.16 2.57 3.38 -1.34 -2.04 115.31 118.18 5rub h LEU 248 Ca -0.02 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 5rub h LEU 248 Cb 0.57 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 5rub h LEU 248 CO -0.05 0.99 -0.17 -0.08 0.09 0.00 0.00 178.44 179.23 5rub h GLU 249 N 1.14 0.40 -0.41 1.13 4.81 -1.47 -2.80 114.58 117.39 5rub h GLU 249 Ca 0.25 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 5rub h GLU 249 Cb 0.27 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 5rub h GLU 249 CO -0.01 0.77 0.26 1.15 -0.73 0.00 0.00 179.01 180.45 5rub h THR 250 N 0.04 1.11 0.00 0.32 2.02 -1.26 -2.36 112.91 112.79 5rub h THR 250 Ca 0.03 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 5rub h THR 250 Cb 0.70 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 5rub h THR 250 CO 0.04 0.11 -0.09 -0.26 0.37 0.00 0.00 175.52 175.69 5rub h PHE 251 N 0.55 0.00 0.00 3.16 0.04 -1.42 -3.47 116.94 115.80 5rub h PHE 251 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 5rub h PHE 251 Cb -0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.11 5rub h PHE 251 CO -0.04 0.09 0.00 0.41 -0.60 0.00 0.00 178.31 178.17 5rub n GLY 252 N -0.45 1.72 0.28 -1.45 0.00 -0.89 -0.26 105.19 104.14 5rub n GLY 252 Ca -0.01 0.53 0.12 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.76 1.61 4.11 -1.90 -1.24 114.58 116.40 5rub h GLU 253 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 5rub h GLU 253 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 5rub h GLU 253 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 5rub n ASN 254 N -4.11 3.53 -0.25 3.06 3.02 0.65 -4.49 115.26 116.66 5rub n ASN 254 Ca -0.03 -2.49 -0.01 0.00 -0.03 0.00 0.00 54.58 52.02 5rub n ASN 254 Cb 0.09 -0.59 0.19 0.00 -0.61 0.00 0.00 39.78 38.85 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 3.11 1.34 0.00 5.41 0.00 -1.30 -1.06 119.26 126.77 5rub h ALA 255 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 5rub h ALA 255 Cb 1.28 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.75 5rub h ALA 255 CO 0.26 0.56 0.00 -1.13 0.00 0.00 0.00 179.25 178.94 5rub n SER 256 N -4.38 0.00 -0.70 0.00 3.41 -1.26 -2.24 113.62 108.44 5rub n SER 256 Ca 0.09 -0.10 0.11 0.00 -0.26 0.00 0.00 58.87 58.71 5rub n SER 256 Cb 0.07 -0.25 0.34 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.25 0.22 -4.01 7.33 -0.00 -0.40 -4.88 115.22 112.23 5rub n HIS 257 Ca 0.11 -0.11 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 5rub n HIS 257 Cb 0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.04 5rub n HIS 257 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 5rub s VAL 258 N -1.78 4.59 0.04 1.59 1.01 -0.95 -1.67 120.40 123.23 5rub s VAL 258 Ca 0.34 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.23 5rub s VAL 258 Cb 0.19 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 5rub s VAL 258 CO 0.29 0.44 0.14 0.00 0.00 0.00 0.00 175.10 175.96 5rub s ALA 259 N 0.61 3.76 -0.24 5.51 0.00 0.45 -4.34 121.76 127.51 5rub s ALA 259 Ca 0.03 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 5rub s ALA 259 Cb -0.13 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 5rub s ALA 259 CO 0.02 0.76 0.03 -0.51 0.00 0.00 0.00 175.76 176.06 5rub s LEU 260 N -2.24 3.28 -0.23 0.00 1.43 -0.05 -1.03 118.68 119.84 5rub s LEU 260 Ca 0.30 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 5rub s LEU 260 Cb -0.12 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 5rub s LEU 260 CO 0.22 -0.05 0.16 -0.22 0.23 0.00 0.00 176.35 176.69 5rub s LEU 261 N 1.55 4.13 -0.09 1.79 2.96 -0.05 -0.10 118.68 128.87 5rub s LEU 261 Ca 0.06 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 5rub s LEU 261 Cb -0.15 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.45 5rub s LEU 261 CO 0.01 0.07 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.33 5rub s VAL 262 N 0.99 1.04 -0.79 1.68 1.01 0.02 -0.68 120.40 123.67 5rub s VAL 262 Ca 0.08 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 5rub s VAL 262 Cb -0.13 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.30 5rub s VAL 262 CO 0.04 0.35 1.17 -0.62 0.00 0.00 0.00 175.10 176.04 5rub s ASP 263 N 1.18 6.31 0.21 3.32 3.68 -1.26 -2.61 116.67 127.50 5rub s ASP 263 Ca -0.05 -1.11 0.22 0.00 2.13 0.00 0.00 52.55 53.74 5rub s ASP 263 Cb -0.14 -2.48 0.91 0.00 -1.45 0.00 0.00 42.92 39.76 5rub s ASP 263 CO -0.02 -1.50 1.67 0.61 0.13 0.00 0.00 175.17 176.06 5rub n GLY 264 N 5.66 -1.25 0.07 2.66 0.00 -1.20 -1.96 105.19 109.17 5rub n GLY 264 Ca 0.10 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.01 1.61 3.20 -1.85 -1.28 116.97 118.64 5rub h TYR 265 Ca 0.00 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 5rub h TYR 265 Cb 0.36 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 5rub h TYR 265 CO 0.00 0.55 -0.73 -0.39 -1.64 0.00 0.00 178.16 175.95 5rub h VAL 266 N -1.00 1.49 0.00 1.81 -1.51 -1.74 -3.27 116.25 112.04 5rub h VAL 266 Ca -0.05 -2.42 0.00 0.00 -1.23 0.00 0.00 66.70 63.00 5rub h VAL 266 Cb 0.60 2.31 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 5rub h VAL 266 CO -0.03 0.70 -1.37 0.00 -1.23 0.00 0.00 177.57 175.64 5rub n ALA 267 N -2.42 4.05 -0.31 5.19 0.00 -0.83 -5.10 120.51 121.08 5rub n ALA 267 Ca -0.02 -0.57 0.04 0.00 0.00 0.00 0.00 53.44 52.90 5rub n ALA 267 Cb 0.71 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 19.38 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 1.41 -1.69 0.40 0.00 0.00 -0.48 -4.17 105.19 100.66 5rub n GLY 268 Ca 0.01 -1.44 0.23 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.29 2.17 0.00 4.61 0.00 -1.92 -1.08 119.26 122.74 5rub h ALA 269 Ca -0.00 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 5rub h ALA 269 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 5rub h ALA 269 CO 0.01 -0.61 -0.26 0.00 0.00 0.00 0.00 179.25 178.39 5rub h ALA 270 N 1.65 1.30 -0.01 0.00 0.00 -1.93 -1.36 119.26 118.90 5rub h ALA 270 Ca 0.62 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 5rub h ALA 270 Cb 1.52 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 5rub h ALA 270 CO -0.35 0.32 -0.01 0.00 0.00 0.00 0.00 179.25 179.21 5rub h ALA 271 N 1.74 0.02 0.33 0.00 0.00 -1.36 -0.49 119.26 119.50 5rub h ALA 271 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 5rub h ALA 271 Cb 0.55 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 5rub h ALA 271 CO 0.03 -0.22 -0.43 0.82 0.00 0.00 0.00 179.25 179.45 5rub h ILE 272 N -0.46 0.14 -0.35 0.00 1.08 -1.36 -1.83 117.51 114.73 5rub h ILE 272 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 5rub h ILE 272 Cb 0.51 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 5rub h ILE 272 CO 0.00 0.00 0.21 0.74 -0.69 0.00 0.00 178.15 178.41 5rub h THR 273 N -0.81 1.10 0.18 -0.27 2.02 -1.31 -0.11 112.91 113.72 5rub h THR 273 Ca -0.02 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 5rub h THR 273 Cb 0.74 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 5rub h THR 273 CO -0.12 0.11 -0.09 0.74 0.37 0.00 0.00 175.52 176.52 5rub h THR 274 N 0.48 0.81 0.05 3.16 2.02 -0.26 -2.19 112.91 116.99 5rub h THR 274 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 5rub h THR 274 Cb -0.01 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 5rub h THR 274 CO -0.02 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.84 5rub h ALA 275 N 0.57 -0.07 -0.66 6.16 0.00 -0.93 -1.55 119.26 122.78 5rub h ALA 275 Ca -0.02 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.96 5rub h ALA 275 Cb 0.20 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 5rub h ALA 275 CO 0.03 -0.48 -0.08 -0.09 0.00 0.00 0.00 179.25 178.64 5rub h ARG 276 N -0.19 0.05 0.00 0.00 9.65 -0.99 0.13 114.38 123.04 5rub h ARG 276 Ca -0.01 -0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.70 5rub h ARG 276 Cb 0.17 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 5rub h ARG 276 CO 0.01 0.04 -0.99 0.00 2.80 0.00 0.00 179.97 181.83 5rub h ARG 277 N 0.06 0.00 0.00 0.20 3.08 -1.42 -3.23 114.38 113.07 5rub h ARG 277 Ca 0.34 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.17 5rub h ARG 277 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 5rub h ARG 277 CO -0.63 0.57 -1.42 -0.09 -1.07 0.00 0.00 179.97 177.34 5rub h ARG 278 N 0.00 0.00 -2.13 0.04 9.65 -0.83 -3.40 114.38 117.72 5rub h ARG 278 Ca -0.08 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.22 5rub h ARG 278 Cb 1.60 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.78 5rub h ARG 278 CO 0.08 0.46 -0.85 1.19 2.80 0.00 0.00 179.97 183.65 5rub n PHE 279 N -3.03 1.58 1.13 2.20 3.01 0.42 -4.92 117.46 117.85 5rub n PHE 279 Ca -0.11 -3.85 0.14 0.00 1.01 0.00 0.00 57.45 54.64 5rub n PHE 279 Cb 0.93 -0.44 0.66 0.00 -0.01 0.00 0.00 39.48 40.62 5rub n PHE 279 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 5rub n PRO 280 N 1.20 0.15 -0.04 -1.08 -0.04 -1.22 -3.11 135.00 130.87 5rub n PRO 280 Ca 0.25 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 5rub n PRO 280 Cb 0.47 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.74 5rub n PRO 280 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 5rub n ASP 281 N -1.42 2.33 -4.35 3.54 10.43 -1.26 -4.43 116.55 121.38 5rub n ASP 281 Ca 0.09 -1.78 -0.31 0.00 2.57 0.00 0.00 54.79 55.37 5rub n ASP 281 Cb 0.30 -0.05 -0.15 0.00 1.84 0.00 0.00 41.12 43.06 5rub n ASP 281 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 5rub s ASN 282 N -1.87 3.24 0.23 -2.24 -0.87 -1.18 -5.04 114.94 107.21 5rub s ASN 282 Ca 0.34 -0.49 -0.32 0.00 -1.57 0.00 0.00 52.86 50.82 5rub s ASN 282 Cb 0.20 -0.39 -0.12 0.00 -0.02 0.00 0.00 41.25 40.93 5rub s ASN 282 CO 0.31 0.29 1.67 0.33 -2.57 0.00 0.00 177.10 177.14 5rub n PHE 283 N 2.11 2.72 -3.46 2.20 7.35 -1.26 -4.84 117.46 122.28 5rub n PHE 283 Ca -0.16 0.12 -0.43 0.00 -0.76 0.00 0.00 57.45 56.22 5rub n PHE 283 Cb 0.52 -2.64 -0.09 0.00 0.35 0.00 0.00 39.48 37.62 5rub n PHE 283 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 5rub s LEU 284 N 0.72 5.33 -0.49 -2.13 0.20 -1.26 -0.88 118.68 120.17 5rub s LEU 284 Ca 0.73 -1.22 -0.22 0.00 0.69 0.00 0.00 54.13 54.11 5rub s LEU 284 Cb -0.52 -2.13 0.04 0.00 -0.43 0.00 0.00 46.19 43.15 5rub s LEU 284 CO 0.37 -0.56 0.76 -2.28 -0.29 0.00 0.00 176.35 174.35 5rub s HIS 285 N 1.61 2.97 -0.55 5.38 5.65 0.86 -1.00 115.29 130.20 5rub s HIS 285 Ca 0.04 -0.11 -0.20 0.00 0.25 0.00 0.00 55.06 55.03 5rub s HIS 285 Cb -0.22 -3.67 0.07 0.00 -1.18 0.00 0.00 32.58 27.57 5rub s HIS 285 CO 0.07 -1.07 0.73 -0.47 -0.65 0.00 0.00 174.74 173.34 5rub s TYR 286 N 3.20 2.96 0.01 3.88 6.14 -0.62 -0.80 117.35 132.12 5rub s TYR 286 Ca 0.25 -0.56 -0.19 0.00 0.64 0.00 0.00 57.07 57.21 5rub s TYR 286 Cb -0.14 -3.81 -0.06 0.00 0.42 0.00 0.00 41.96 38.37 5rub s TYR 286 CO 0.18 -1.21 0.56 -1.58 0.64 0.00 0.00 175.55 174.14 5rub s HIS 287 N 3.00 3.72 -2.05 4.97 5.65 -1.07 -2.96 115.29 126.55 5rub s HIS 287 Ca 0.17 1.18 0.16 0.00 0.25 0.00 0.00 55.06 56.82 5rub s HIS 287 Cb -0.19 -2.53 0.45 0.00 -1.18 0.00 0.00 32.58 29.13 5rub s HIS 287 CO 0.11 0.45 1.37 0.54 -0.65 0.00 0.00 174.74 176.57 5rub n ARG 288 N 2.36 2.08 -0.66 2.88 1.74 -1.26 -3.21 116.66 120.60 5rub n ARG 288 Ca -0.09 -1.68 -0.26 0.00 -0.77 0.00 0.00 57.85 55.06 5rub n ARG 288 Cb 0.51 -1.38 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.87 -1.12 -1.38 7.54 0.00 -1.26 -2.17 120.51 122.98 5rub n ALA 289 Ca 0.16 0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 5rub n ALA 289 Cb 0.40 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 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 1.14 1.34 0.07 0.00 0.00 -1.26 -4.28 105.19 102.19 5rub n GLY 290 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 5rub n GLY 290 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 5rub n HIS 291 N -2.11 0.00 -0.04 1.61 -0.00 -0.92 -2.80 115.22 110.95 5rub n HIS 291 Ca -0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.46 5rub n HIS 291 Cb 0.57 -0.01 -0.07 0.00 -0.00 0.00 0.00 29.99 30.48 5rub n HIS 291 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 5rub h GLY 292 N 4.89 0.23 -0.28 -1.39 0.00 -1.86 -0.80 103.07 103.85 5rub h GLY 292 Ca 0.00 -0.18 0.33 0.00 0.00 0.00 0.00 47.33 47.48 5rub h GLY 292 CO 0.00 0.17 0.82 0.00 0.00 0.00 0.00 176.54 177.53 5rub h ALA 293 N 0.71 3.07 0.00 3.60 0.00 -1.93 -2.26 119.26 122.45 5rub h ALA 293 Ca 0.03 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 5rub h ALA 293 Cb 0.41 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 5rub h ALA 293 CO 0.01 -1.39 -1.67 1.33 0.00 0.00 0.00 179.25 177.52 5rub n VAL 294 N -4.20 1.02 0.26 0.00 0.24 -1.06 -4.71 118.33 109.88 5rub n VAL 294 Ca 0.24 -0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.53 5rub n VAL 294 Cb 1.20 -1.79 0.70 0.00 -1.47 0.00 0.00 33.84 32.47 5rub n VAL 294 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 5rub h THR 295 N -0.60 0.59 -2.15 3.34 1.35 -1.19 -3.40 112.91 110.85 5rub h THR 295 Ca -0.34 -0.58 -0.63 0.00 -0.55 0.00 0.00 66.41 64.30 5rub h THR 295 Cb 1.22 1.38 0.08 0.00 -1.73 0.00 0.00 68.15 69.10 5rub h THR 295 CO -0.21 0.13 0.36 -0.24 -0.25 0.00 0.00 175.52 175.31 5rub n SER 296 N -3.66 1.72 0.04 5.36 2.88 -0.85 -4.30 113.62 114.81 5rub n SER 296 Ca -0.02 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.75 5rub n SER 296 Cb 0.25 -1.27 0.36 0.00 -0.75 0.00 0.00 64.21 62.80 5rub n SER 296 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 5rub n PRO 297 N 1.80 0.05 0.09 -1.46 -0.02 -1.26 -1.32 135.00 132.89 5rub n PRO 297 Ca 0.14 0.30 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 5rub n PRO 297 Cb 0.27 -1.60 0.45 0.00 -0.02 0.00 0.00 33.50 32.59 5rub n PRO 297 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 5rub n GLN 298 N -1.71 0.21 -3.28 -0.52 1.13 -1.26 -4.70 117.38 107.25 5rub n GLN 298 Ca 0.03 0.19 -0.38 0.00 -1.94 0.00 0.00 57.00 54.90 5rub n GLN 298 Cb 0.18 -1.75 -0.06 0.00 0.11 0.00 0.00 30.24 28.72 5rub n GLN 298 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 5rub s SER 299 N -4.23 6.80 0.00 1.08 0.15 -0.43 -4.98 113.70 112.08 5rub s SER 299 Ca 0.11 0.95 0.21 0.00 0.70 0.00 0.00 55.95 57.92 5rub s SER 299 Cb 0.13 -2.31 0.28 0.00 -1.71 0.00 0.00 66.02 62.41 5rub s SER 299 CO 0.57 0.05 1.26 0.29 1.20 0.00 0.00 173.24 176.61 5rub n LYS 300 N 3.26 2.19 -4.32 5.44 5.02 -1.26 -4.90 118.16 123.59 5rub n LYS 300 Ca -0.07 -1.99 -0.17 0.00 -2.02 0.00 0.00 58.31 54.06 5rub n LYS 300 Cb 0.51 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.98 5rub n LYS 300 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 5rub s ARG 301 N -1.57 1.25 1.92 1.97 0.52 -1.26 -3.00 118.95 118.79 5rub s ARG 301 Ca 0.30 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 5rub s ARG 301 Cb 0.19 -0.97 0.00 0.00 0.52 0.00 0.00 34.95 34.70 5rub s ARG 301 CO 0.28 0.15 0.00 0.41 0.02 0.00 0.00 175.30 176.16 5rub n GLY 302 N -0.33 0.81 3.53 -3.53 0.00 -1.19 -4.81 105.19 99.67 5rub n GLY 302 Ca -0.09 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 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 0.84 1.61 1.13 -1.26 -1.73 117.35 117.95 5rub s TYR 303 Ca 0.00 -0.38 -0.12 0.00 -1.41 0.00 0.00 57.07 55.16 5rub s TYR 303 Cb 0.00 0.32 0.10 0.00 -1.10 0.00 0.00 41.96 41.28 5rub s TYR 303 CO 0.00 -0.92 1.18 0.95 -2.51 0.00 0.00 175.55 174.25 5rub s THR 304 N -3.91 2.00 0.23 -3.49 -4.23 -0.77 -3.51 115.64 101.96 5rub s THR 304 Ca 0.12 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.59 5rub s THR 304 Cb -0.01 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.98 5rub s THR 304 CO 0.00 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 175.81 5rub h ALA 305 N -1.18 1.03 -0.03 3.99 0.00 -1.93 -1.12 119.26 120.01 5rub h ALA 305 Ca -0.47 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.21 5rub h ALA 305 Cb 1.32 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 5rub h ALA 305 CO 0.63 0.61 -0.36 0.35 0.00 0.00 0.00 179.25 180.48 5rub h PHE 306 N 0.86 -1.01 -0.70 0.00 3.57 -1.93 -0.46 116.94 117.26 5rub h PHE 306 Ca 0.17 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.74 5rub h PHE 306 Cb 0.45 0.45 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 5rub h PHE 306 CO 0.03 -0.45 0.44 0.28 -2.23 0.00 0.00 178.31 176.38 5rub h VAL 307 N -0.50 1.09 -0.33 1.41 2.07 -1.72 -0.20 116.25 118.06 5rub h VAL 307 Ca 0.06 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.34 5rub h VAL 307 Cb 0.60 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 5rub h VAL 307 CO -0.31 0.16 0.06 -0.74 0.02 0.00 0.00 177.57 176.75 5rub h HIS 308 N 0.85 0.09 -0.26 1.57 -0.00 -0.47 -1.30 115.15 115.63 5rub h HIS 308 Ca 0.29 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.61 5rub h HIS 308 Cb 0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 5rub h HIS 308 CO -0.04 0.01 -0.10 0.00 -0.00 0.00 0.00 177.93 177.79 5rub h LYS 310 N 0.27 0.86 -0.89 0.00 3.64 -0.90 -1.14 116.57 118.41 5rub h LYS 310 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 5rub h LYS 310 Cb 0.60 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 5rub h LYS 310 CO 0.03 0.57 0.56 0.52 -2.27 0.00 0.00 179.45 178.86 5rub h MET 311 N 0.88 1.20 -0.91 1.90 2.86 -1.02 -2.84 114.93 117.01 5rub h MET 311 Ca 0.35 -0.09 0.15 0.00 -2.06 0.00 0.00 59.70 58.05 5rub h MET 311 Cb 0.18 -0.26 -0.07 0.00 0.06 0.00 0.00 31.60 31.51 5rub h MET 311 CO -0.18 0.82 0.58 0.00 1.06 0.00 0.00 176.91 179.20 5rub h ALA 312 N 1.31 1.82 0.14 6.32 0.00 0.13 -1.10 119.26 127.88 5rub h ALA 312 Ca 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 5rub h ALA 312 Cb -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.58 5rub h ALA 312 CO -0.06 -0.07 -0.07 -0.09 0.00 0.00 0.00 179.25 178.96 5rub h ARG 313 N 0.70 -0.18 -0.73 0.00 2.43 -1.28 -0.77 114.38 114.55 5rub h ARG 313 Ca 0.46 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.67 5rub h ARG 313 Cb 0.74 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 5rub h ARG 313 CO -0.22 -0.01 0.48 -0.07 -1.51 0.00 0.00 179.97 178.64 5rub h LEU 314 N -0.31 0.79 -1.45 3.80 3.38 -1.45 -1.74 115.31 118.33 5rub h LEU 314 Ca -0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 5rub h LEU 314 Cb 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 5rub h LEU 314 CO 0.03 0.56 -0.23 1.56 0.09 0.00 0.00 178.44 180.44 5rub h GLN 315 N 0.93 0.06 0.00 1.13 4.20 -0.86 -1.70 115.11 118.87 5rub h GLN 315 Ca 0.28 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.98 5rub h GLN 315 Cb -0.01 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.76 5rub h GLN 315 CO -0.07 0.29 0.00 0.41 -0.67 0.00 0.00 178.83 178.79 5rub n GLY 316 N -0.80 1.48 3.77 3.46 0.00 -0.48 -4.45 105.19 108.17 5rub n GLY 316 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 3.13 0.05 4.61 0.00 -0.42 -4.34 121.76 122.79 5rub s ALA 317 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.02 5rub s ALA 317 Cb 0.00 -3.42 -0.26 0.00 0.00 0.00 0.00 23.12 19.44 5rub s ALA 317 CO 0.00 -0.68 1.03 0.77 0.00 0.00 0.00 175.76 176.89 5rub h SER 318 N 2.48 0.27 -5.01 0.00 0.02 -1.27 -3.41 113.55 106.65 5rub h SER 318 Ca -0.49 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.07 5rub h SER 318 Cb 1.24 -0.09 -0.17 0.00 0.14 0.00 0.00 62.40 63.53 5rub h SER 318 CO 0.62 1.27 0.12 -0.83 -1.14 0.00 0.00 176.83 176.87 5rub s GLY 319 N -4.81 -0.51 -0.00 -3.77 0.00 -1.16 -0.20 107.32 96.86 5rub s GLY 319 Ca -0.05 0.84 -0.03 0.00 0.00 0.00 0.00 44.72 45.48 5rub s GLY 319 CO 0.85 0.51 0.06 -1.50 0.00 0.00 0.00 173.10 173.02 5rub s ILE 320 N -2.20 0.06 0.04 0.90 2.07 -0.84 -1.59 121.20 119.64 5rub s ILE 320 Ca -0.06 -0.50 -0.30 0.00 -1.41 0.00 0.00 60.65 58.37 5rub s ILE 320 Cb -0.01 -0.25 -0.09 0.00 0.13 0.00 0.00 42.46 42.24 5rub s ILE 320 CO 0.01 -0.28 1.89 -2.28 -1.91 0.00 0.00 174.94 172.37 5rub s HIS 321 N -0.87 1.56 -0.04 3.50 5.65 -1.16 -2.05 115.29 121.88 5rub s HIS 321 Ca -0.10 -0.27 0.02 0.00 0.25 0.00 0.00 55.06 54.96 5rub s HIS 321 Cb -0.06 -4.18 -0.02 0.00 -1.18 0.00 0.00 32.58 27.14 5rub s HIS 321 CO 0.00 -5.17 0.05 0.25 -0.65 0.00 0.00 174.74 169.23 5rub n THR 322 N 5.38 0.00 0.00 0.89 -2.24 0.12 -4.86 114.28 113.57 5rub n THR 322 Ca 0.19 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 5rub n THR 322 Cb 0.41 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.78 -2.23 3.27 3.38 0.00 -1.22 -4.98 105.19 105.18 5rub n GLY 323 Ca -0.00 -1.39 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 5rub n GLY 323 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 5rub n THR 324 N -1.27 2.00 -3.03 2.61 -2.24 -1.25 -4.81 114.28 106.29 5rub n THR 324 Ca 0.00 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 59.90 5rub n THR 324 Cb 0.00 -2.28 0.00 0.00 -2.10 0.00 0.00 70.33 65.95 5rub n THR 324 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 5rub n SER 334 N 9.78 0.00 0.00 3.42 3.41 -1.26 -5.06 113.62 123.91 5rub n SER 334 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 5rub n SER 334 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 5rub n SER 334 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 5rub n SER 335 N -2.95 0.00 0.28 4.04 7.64 -1.26 -4.72 113.62 116.65 5rub n SER 335 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 5rub n SER 335 Cb 0.00 0.00 0.80 0.00 -1.01 0.00 0.00 64.21 64.00 5rub n SER 335 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 5rub h ASP 336 N 0.00 0.00 -0.39 6.43 5.19 -1.93 0.46 116.42 126.18 5rub h ASP 336 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 5rub h ASP 336 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 5rub h ASP 336 CO 0.00 0.05 0.10 -0.09 -3.12 0.00 0.00 179.24 176.18 5rub h ARG 337 N 0.00 0.70 -0.28 3.56 2.43 -1.94 0.81 114.38 119.65 5rub h ARG 337 Ca -0.00 -0.13 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 5rub h ARG 337 Cb 0.12 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 5rub h ARG 337 CO 0.01 0.64 -0.38 0.00 -1.51 0.00 0.00 179.97 178.72 5rub h ALA 338 N 1.44 0.80 0.16 2.80 0.00 -0.39 -1.04 119.26 123.02 5rub h ALA 338 Ca 0.15 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 5rub h ALA 338 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 5rub h ALA 338 CO -0.00 0.65 -0.08 0.82 0.00 0.00 0.00 179.25 180.64 5rub h ILE 339 N 0.54 0.96 -0.66 0.00 2.04 -0.49 -1.80 117.51 118.11 5rub h ILE 339 Ca 0.05 -0.60 0.14 0.00 1.00 0.00 0.00 64.86 65.44 5rub h ILE 339 Cb 0.91 1.33 -0.10 0.00 -0.74 0.00 0.00 36.82 38.21 5rub h ILE 339 CO 0.08 0.14 0.10 0.00 0.00 0.00 0.00 178.15 178.47 5rub h ALA 340 N 0.27 0.76 -0.55 1.87 0.00 0.80 0.12 119.26 122.54 5rub h ALA 340 Ca -0.02 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 5rub h ALA 340 Cb 0.39 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 5rub h ALA 340 CO 0.04 -0.35 0.24 1.88 0.00 0.00 0.00 179.25 181.06 5rub h TYR 341 N 0.21 0.81 -0.10 0.00 0.99 -1.20 -0.60 116.97 117.08 5rub h TYR 341 Ca 0.36 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 60.97 5rub h TYR 341 Cb 0.58 -0.25 -0.01 0.00 1.00 0.00 0.00 36.73 38.05 5rub h TYR 341 CO -0.30 0.64 -0.24 1.98 -0.00 0.00 0.00 178.16 180.24 5rub h MET 342 N 0.74 0.18 0.01 4.88 4.05 -0.49 0.14 114.93 124.43 5rub h MET 342 Ca 0.19 -0.05 -0.21 0.00 -0.28 0.00 0.00 59.70 59.34 5rub h MET 342 Cb 0.16 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 5rub h MET 342 CO -0.02 0.42 -1.02 -0.07 0.23 0.00 0.00 176.91 176.45 5rub h LEU 343 N 0.16 0.03 0.00 3.39 3.38 -0.48 -3.40 115.31 118.39 5rub h LEU 343 Ca 0.03 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 5rub h LEU 343 Cb 0.52 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 5rub h LEU 343 CO 0.04 1.02 -2.04 0.35 0.09 0.00 0.00 178.44 177.90 5rub n THR 344 N -3.36 0.98 -2.11 0.22 -2.24 -0.26 -0.78 114.28 106.72 5rub n THR 344 Ca -0.01 -0.63 -0.29 0.00 -2.27 0.00 0.00 64.05 60.84 5rub n THR 344 Cb 0.95 -0.54 0.02 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.43 3.38 0.14 -0.78 -0.21 0.48 -4.63 119.66 115.60 5rub s GLN 345 Ca -0.08 0.49 0.26 0.00 0.02 0.00 0.00 55.36 56.05 5rub s GLN 345 Cb 0.05 -2.16 0.71 0.00 1.00 0.00 0.00 33.01 32.61 5rub s GLN 345 CO 0.64 -0.58 1.64 -3.47 -2.12 0.00 0.00 175.29 171.39 5rub n ASP 346 N -2.66 0.64 -3.60 5.90 2.03 -1.26 -4.68 116.55 112.92 5rub n ASP 346 Ca 0.05 0.37 -0.10 0.00 0.52 0.00 0.00 54.79 55.63 5rub n ASP 346 Cb 0.55 -0.40 -0.10 0.00 -0.72 0.00 0.00 41.12 40.46 5rub n ASP 346 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 5rub s GLU 347 N -3.10 0.29 0.04 -0.67 2.56 -1.26 -1.16 118.70 115.39 5rub s GLU 347 Ca 0.10 0.87 -0.02 0.00 0.00 0.00 0.00 54.97 55.91 5rub s GLU 347 Cb 0.14 0.07 -0.02 0.00 2.00 0.00 0.00 34.13 36.32 5rub s GLU 347 CO 0.63 -0.34 0.01 0.00 -0.56 0.00 0.00 175.26 175.00 5rub s ALA 348 N 2.55 0.20 -0.23 6.30 0.00 -0.45 -4.97 121.76 125.16 5rub s ALA 348 Ca 0.02 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 5rub s ALA 348 Cb -0.13 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 5rub s ALA 348 CO -0.12 -0.28 0.11 -1.14 0.00 0.00 0.00 175.76 174.32 5rub s GLN 349 N -2.65 3.92 0.57 0.00 2.00 -1.26 0.61 119.66 122.86 5rub s GLN 349 Ca -0.05 -0.35 0.07 0.00 -2.00 0.00 0.00 55.36 53.03 5rub s GLN 349 Cb -0.01 -3.39 0.07 0.00 0.80 0.00 0.00 33.01 30.47 5rub s GLN 349 CO -0.05 0.04 0.59 0.20 -0.50 0.00 0.00 175.29 175.57 5rub s GLY 350 N 1.04 2.09 0.50 2.59 0.00 0.16 -4.86 107.32 108.83 5rub s GLY 350 Ca 0.06 -1.63 0.27 0.00 0.00 0.00 0.00 44.72 43.42 5rub s GLY 350 CO 0.04 -1.85 1.88 -2.55 0.00 0.00 0.00 173.10 170.62 5rub h PRO 351 N 0.46 0.12 0.00 2.90 0.10 -1.97 -3.30 132.00 130.31 5rub h PRO 351 Ca -0.33 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.76 5rub h PRO 351 Cb 1.30 -0.03 0.00 0.00 0.10 0.00 0.00 31.00 32.37 5rub h PRO 351 CO 0.50 0.08 -0.38 1.19 0.10 0.00 0.00 178.00 179.48 5rub n PHE 352 N -4.35 0.00 -4.52 0.65 3.72 -1.26 -5.10 117.46 106.60 5rub n PHE 352 Ca 0.19 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.34 5rub n PHE 352 Cb 0.88 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.28 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 -1.33 1.71 -0.10 1.38 1.51 -1.24 -5.10 117.35 114.18 5rub s TYR 353 Ca 0.00 -0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 55.50 5rub s TYR 353 Cb 0.00 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 5rub s TYR 353 CO 0.00 0.11 0.48 0.50 -1.11 0.00 0.00 175.55 175.53 5rub s ARG 354 N -1.33 4.30 -0.08 -0.62 3.52 -1.26 0.35 118.95 123.83 5rub s ARG 354 Ca 0.06 0.47 0.03 0.00 -0.13 0.00 0.00 55.73 56.16 5rub s ARG 354 Cb -0.09 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 5rub s ARG 354 CO 0.02 0.23 -0.19 -1.14 -0.81 0.00 0.00 175.30 173.41 5rub s GLN 355 N 0.39 2.47 0.15 5.12 2.00 0.20 -4.95 119.66 125.04 5rub s GLN 355 Ca 0.26 -0.69 -0.08 0.00 -2.00 0.00 0.00 55.36 52.85 5rub s GLN 355 Cb -0.16 -1.92 -0.06 0.00 0.80 0.00 0.00 33.01 31.67 5rub s GLN 355 CO 0.11 0.12 0.44 -1.12 -0.50 0.00 0.00 175.29 174.34 5rub s SER 356 N 0.46 6.60 0.00 6.67 0.01 -1.26 -1.34 113.70 124.83 5rub s SER 356 Ca -0.17 0.77 0.07 0.00 1.31 0.00 0.00 55.95 57.94 5rub s SER 356 Cb -0.17 -2.17 0.03 0.00 0.21 0.00 0.00 66.02 63.93 5rub s SER 356 CO 0.07 0.06 0.65 0.79 0.41 0.00 0.00 173.24 175.22 5rub n TRP 357 N 0.34 0.00 -4.43 2.43 7.02 -0.31 -4.98 117.44 117.51 5rub n TRP 357 Ca -0.04 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.06 5rub n TRP 357 Cb 0.52 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.33 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 0.56 -0.33 1.13 6.99 0.00 -1.26 -0.67 105.19 111.61 5rub n GLY 358 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.51 0.72 3.75 -0.02 0.00 -1.26 -5.03 105.19 101.85 5rub n GLY 359 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.44 4.47 0.65 1.61 0.00 0.15 -4.94 119.30 120.80 5rub s MET 360 Ca 0.00 1.99 -0.17 0.00 0.00 0.00 0.00 55.69 57.50 5rub s MET 360 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 34.83 31.63 5rub s MET 360 CO 0.00 -0.08 1.02 1.63 0.00 0.00 0.00 175.02 177.59 5rub n LYS 361 N 1.78 0.80 -1.33 4.11 5.02 -1.26 -4.95 118.16 122.34 5rub n LYS 361 Ca 0.02 0.32 -0.31 0.00 -2.02 0.00 0.00 58.31 56.32 5rub n LYS 361 Cb 0.43 -2.24 0.09 0.00 -0.02 0.00 0.00 35.03 33.29 5rub n LYS 361 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 5rub s ALA 362 N -1.58 2.25 -0.22 7.82 0.00 -1.26 -4.44 121.76 124.33 5rub s ALA 362 Ca 0.77 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 5rub s ALA 362 Cb -0.39 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.44 5rub s ALA 362 CO 0.46 -1.73 -0.07 0.00 0.00 0.00 0.00 175.76 174.43 5rub s THR 364 N 1.42 4.01 0.31 0.00 2.01 0.71 -4.21 115.64 119.90 5rub s THR 364 Ca 0.05 1.41 -0.29 0.00 0.31 0.00 0.00 61.69 63.17 5rub s THR 364 Cb -0.15 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.35 5rub s THR 364 CO -0.05 0.07 1.37 -2.84 -0.69 0.00 0.00 174.62 172.47 5rub s PRO 365 N 1.52 4.30 -0.22 4.92 0.02 -1.26 -1.99 135.00 142.29 5rub s PRO 365 Ca 0.59 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 63.87 5rub s PRO 365 Cb -0.29 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.17 5rub s PRO 365 CO 0.27 -0.30 -0.09 0.42 -0.33 0.00 0.00 177.00 176.98 5rub s ILE 366 N -0.80 2.84 0.12 2.83 1.01 -0.87 -2.72 121.20 123.61 5rub s ILE 366 Ca 0.52 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 60.39 5rub s ILE 366 Cb -0.41 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 5rub s ILE 366 CO 0.51 0.35 0.01 -0.63 0.00 0.00 0.00 174.94 175.19 5rub s ILE 367 N 1.37 3.98 0.36 2.92 -1.09 0.22 0.16 121.20 129.12 5rub s ILE 367 Ca 0.03 -1.12 0.04 0.00 -2.23 0.00 0.00 60.65 57.38 5rub s ILE 367 Cb -0.15 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 5rub s ILE 367 CO -0.06 0.03 0.16 -0.94 -1.23 0.00 0.00 174.94 172.91 5rub s SER 368 N -2.56 2.23 0.00 3.58 1.04 -1.26 -0.04 113.70 116.69 5rub s SER 368 Ca 0.27 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 55.05 5rub s SER 368 Cb -0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.48 5rub s SER 368 CO 0.19 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.08 5rub n GLY 369 N -0.76 0.89 0.00 7.32 0.00 -1.22 -3.90 105.19 107.51 5rub n GLY 369 Ca -0.01 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 1.94 2.93 -0.02 0.00 -1.26 0.19 105.19 108.97 5rub n GLY 370 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 5rub n GLY 370 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 5rub s MET 371 N -1.47 0.09 1.23 1.61 0.00 -1.26 -4.92 119.30 114.58 5rub s MET 371 Ca 0.00 0.24 -0.18 0.00 0.00 0.00 0.00 55.69 55.74 5rub s MET 371 Cb 0.00 -0.07 0.29 0.00 0.00 0.00 0.00 34.83 35.06 5rub s MET 371 CO 0.00 -0.09 1.05 0.54 0.00 0.00 0.00 175.02 176.52 5rub s ASN 372 N 0.59 0.62 0.50 1.11 2.20 -1.26 -4.72 114.94 113.99 5rub s ASN 372 Ca -0.04 0.89 0.15 0.00 -0.94 0.00 0.00 52.86 52.91 5rub s ASN 372 Cb -0.06 -1.31 1.21 0.00 -2.00 0.00 0.00 41.25 39.10 5rub s ASN 372 CO -0.03 -4.34 2.13 0.00 -2.94 0.00 0.00 177.10 171.93 5rub h ALA 373 N -2.72 1.95 -0.31 3.54 0.00 -1.85 -2.77 119.26 117.09 5rub h ALA 373 Ca -0.49 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 5rub h ALA 373 Cb 1.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 5rub h ALA 373 CO 0.39 0.04 -0.16 -0.07 0.00 0.00 0.00 179.25 179.45 5rub h LEU 374 N 0.05 0.55 0.03 0.00 3.38 -1.91 -3.20 115.31 114.20 5rub h LEU 374 Ca 0.01 -0.16 -0.29 0.00 0.09 0.00 0.00 57.88 57.53 5rub h LEU 374 Cb 0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 5rub h LEU 374 CO -0.00 0.73 -1.64 0.03 0.09 0.00 0.00 178.44 177.64 5rub h ARG 375 N 0.51 0.06 -0.89 1.13 3.08 -1.86 -3.41 114.38 113.00 5rub h ARG 375 Ca 0.09 -0.10 0.15 0.00 0.07 0.00 0.00 59.98 60.18 5rub h ARG 375 Cb 0.57 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.51 5rub h ARG 375 CO 0.04 0.71 -0.30 -0.12 -1.07 0.00 0.00 179.97 179.22 5rub n MET 376 N -3.18 -0.16 -0.35 0.04 1.56 -1.06 -0.52 117.12 113.44 5rub n MET 376 Ca -0.17 1.37 0.09 0.00 -0.27 0.00 0.00 57.70 58.73 5rub n MET 376 Cb 1.04 -2.04 0.28 0.00 2.15 0.00 0.00 33.22 34.65 5rub n MET 376 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 5rub h PRO 377 N 0.00 0.88 -0.58 2.12 0.11 -1.79 -1.33 132.00 131.41 5rub h PRO 377 Ca 0.35 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 5rub h PRO 377 Cb 0.57 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 5rub h PRO 377 CO -0.89 0.58 0.25 0.78 -0.21 0.00 0.00 178.00 178.51 5rub h GLY 378 N 0.90 0.89 0.72 -0.55 0.00 -1.10 -1.16 103.07 102.76 5rub h GLY 378 Ca 0.52 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 5rub h GLY 378 CO -0.29 0.41 -0.02 -2.75 0.00 0.00 0.00 176.54 173.89 5rub h PHE 379 N 0.82 0.21 -0.39 5.60 3.57 -1.15 -2.87 116.94 122.73 5rub h PHE 379 Ca 0.20 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 5rub h PHE 379 Cb 0.14 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 5rub h PHE 379 CO 0.01 0.50 0.08 0.74 -2.23 0.00 0.00 178.31 177.41 5rub h PHE 380 N -0.14 0.58 -0.04 0.41 0.04 -1.19 -1.28 116.94 115.32 5rub h PHE 380 Ca 0.02 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 5rub h PHE 380 Cb 0.43 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 5rub h PHE 380 CO 0.05 0.52 0.03 1.49 -0.60 0.00 0.00 178.31 179.80 5rub h GLU 381 N 0.56 0.06 0.34 1.51 4.57 -1.10 0.50 114.58 121.02 5rub h GLU 381 Ca 0.13 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 5rub h GLU 381 Cb 0.24 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 5rub h GLU 381 CO -0.00 0.07 -0.16 -0.97 -1.18 0.00 0.00 179.01 176.77 5rub h ASN 382 N 0.02 -0.39 -0.51 1.04 -1.24 -1.39 -3.13 115.58 109.99 5rub h ASN 382 Ca 0.02 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.92 5rub h ASN 382 Cb 0.03 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 5rub h ASN 382 CO -0.00 -0.26 -0.07 0.25 -1.29 0.00 0.00 177.43 176.05 5rub h LEU 383 N -0.48 0.96 0.00 0.34 5.85 -1.12 -3.47 115.31 117.39 5rub h LEU 383 Ca -0.05 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.38 5rub h LEU 383 Cb 0.37 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.13 5rub h LEU 383 CO 0.08 1.06 0.00 0.61 -0.34 0.00 0.00 178.44 179.84 5rub n GLY 384 N -0.38 0.61 3.80 3.75 0.00 0.17 -5.01 105.19 108.14 5rub n GLY 384 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.99 -0.05 -0.06 1.61 4.22 -1.19 -5.01 114.94 111.47 5rub s ASN 385 Ca 0.00 -0.96 0.14 0.00 -2.14 0.00 0.00 52.86 49.90 5rub s ASN 385 Cb 0.00 0.79 0.27 0.00 1.28 0.00 0.00 41.25 43.58 5rub s ASN 385 CO 0.00 -1.52 1.12 0.00 -2.04 0.00 0.00 177.10 174.66 5rub n ALA 386 N -0.50 2.46 -1.66 3.54 0.00 -1.26 -4.58 120.51 118.50 5rub n ALA 386 Ca -0.06 -2.13 -0.41 0.00 0.00 0.00 0.00 53.44 50.84 5rub n ALA 386 Cb 0.60 -0.54 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.26 6.19 -4.12 0.00 3.02 -1.26 -1.59 115.26 117.24 5rub n ASN 387 Ca 0.08 -2.80 -0.08 0.00 -0.03 0.00 0.00 54.58 51.75 5rub n ASN 387 Cb 0.84 -1.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.34 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 2.13 0.36 -0.26 2.41 -7.23 -1.26 -4.66 120.40 111.89 5rub s VAL 388 Ca 0.55 -1.85 -0.10 0.00 -1.81 0.00 0.00 61.98 58.77 5rub s VAL 388 Cb 0.15 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.45 5rub s VAL 388 CO -0.07 -0.94 0.15 -0.63 -0.31 0.00 0.00 175.10 173.31 5rub s ILE 389 N -3.84 5.11 -0.24 -0.62 1.01 -1.10 -1.84 121.20 119.69 5rub s ILE 389 Ca 0.09 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.75 5rub s ILE 389 Cb 0.07 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 5rub s ILE 389 CO -0.08 0.31 0.12 -0.22 0.00 0.00 0.00 174.94 175.07 5rub s LEU 390 N 1.45 3.87 -0.69 2.97 2.96 0.73 -0.61 118.68 129.36 5rub s LEU 390 Ca 0.07 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 5rub s LEU 390 Cb -0.15 -2.03 0.18 0.00 0.50 0.00 0.00 46.19 44.69 5rub s LEU 390 CO 0.07 0.05 0.53 0.35 -1.32 0.00 0.00 176.35 176.02 5rub n THR 391 N 4.40 1.63 -2.46 3.68 -2.24 0.95 0.91 114.28 121.14 5rub n THR 391 Ca -0.15 -4.87 -0.41 0.00 -2.27 0.00 0.00 64.05 56.35 5rub n THR 391 Cb 0.52 -2.16 -0.04 0.00 -2.10 0.00 0.00 70.33 66.55 5rub n THR 391 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 5rub s ALA 392 N -1.56 3.40 0.76 6.98 0.00 -0.92 -3.41 121.76 127.01 5rub s ALA 392 Ca 0.27 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 5rub s ALA 392 Cb -0.01 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.80 5rub s ALA 392 CO -0.15 -0.24 1.19 0.20 0.00 0.00 0.00 175.76 176.76 5rub s GLY 393 N -0.34 2.20 0.00 0.00 0.00 0.51 -4.40 107.32 105.30 5rub s GLY 393 Ca 0.48 0.79 0.04 0.00 0.00 0.00 0.00 44.72 46.04 5rub s GLY 393 CO 0.38 1.20 0.96 0.61 0.00 0.00 0.00 173.10 176.24 5rub n GLY 394 N 0.25 -0.42 0.13 0.20 0.00 -1.26 -2.44 105.19 101.65 5rub n GLY 394 Ca 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 5rub n GLY 394 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 5rub h GLY 395 N 0.65 0.19 2.00 -0.02 0.00 -1.92 -2.47 103.07 101.51 5rub h GLY 395 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 5rub h GLY 395 CO 0.00 0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.83 5rub n ALA 396 N -2.45 1.62 -0.40 3.60 0.00 -1.02 -0.46 120.51 121.39 5rub n ALA 396 Ca -0.03 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.60 5rub n ALA 396 Cb 0.77 -1.38 0.33 0.00 0.00 0.00 0.00 19.45 19.17 5rub n ALA 396 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 5rub n PHE 397 N -2.24 1.31 -1.97 0.00 3.01 -0.93 -4.61 117.46 112.03 5rub n PHE 397 Ca 0.02 -0.54 -0.41 0.00 1.01 0.00 0.00 57.45 57.53 5rub n PHE 397 Cb 0.22 -0.19 -0.02 0.00 -0.01 0.00 0.00 39.48 39.49 5rub n PHE 397 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 5rub s GLY 398 N -0.89 2.70 -0.28 1.37 0.00 0.39 -4.09 107.32 106.52 5rub s GLY 398 Ca 0.48 1.39 -0.24 0.00 0.00 0.00 0.00 44.72 46.35 5rub s GLY 398 CO 0.25 2.17 1.02 -1.58 0.00 0.00 0.00 173.10 174.97 5rub s HIS 399 N -0.70 -0.49 0.62 1.90 5.04 -1.26 -4.80 115.29 115.60 5rub s HIS 399 Ca 0.54 1.17 0.34 0.00 -1.54 0.00 0.00 55.06 55.57 5rub s HIS 399 Cb -0.43 0.37 1.95 0.00 0.04 0.00 0.00 32.58 34.50 5rub s HIS 399 CO 0.52 -0.24 2.23 -0.84 -2.34 0.00 0.00 174.74 174.08 5rub h ILE 400 N 3.77 0.33 -0.01 0.89 3.07 -1.91 -1.41 117.51 122.25 5rub h ILE 400 Ca -0.28 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.13 5rub h ILE 400 Cb 1.18 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 5rub h ILE 400 CO 0.12 0.00 -0.32 0.47 -1.05 0.00 0.00 178.15 177.36 5rub n ASP 401 N -3.56 1.02 0.00 2.16 8.00 -1.26 -5.07 116.55 117.83 5rub n ASP 401 Ca -0.02 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.64 5rub n ASP 401 Cb 0.15 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 5rub n ASP 401 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5rub n GLY 402 N 1.37 2.23 0.29 0.44 0.00 -0.53 -4.71 105.19 104.29 5rub n GLY 402 Ca 0.11 -2.06 0.17 0.00 0.00 0.00 0.00 46.02 44.25 5rub n GLY 402 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 5rub h PRO 403 N 0.00 0.00 -0.10 1.61 0.13 -1.83 -1.02 132.00 130.79 5rub h PRO 403 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 5rub h PRO 403 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 5rub h PRO 403 CO 0.00 0.04 -0.04 0.28 -0.23 0.00 0.00 178.00 178.05 5rub h VAL 404 N 0.00 1.32 -0.31 1.56 2.07 -1.89 -1.41 116.25 117.59 5rub h VAL 404 Ca -0.00 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 5rub h VAL 404 Cb 0.28 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 5rub h VAL 404 CO 0.01 0.30 0.06 0.00 0.02 0.00 0.00 177.57 177.95 5rub h ALA 405 N 0.65 1.53 -0.12 1.67 0.00 -1.75 0.35 119.26 121.59 5rub h ALA 405 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 5rub h ALA 405 Cb 0.49 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 5rub h ALA 405 CO 0.01 0.35 0.04 0.78 0.00 0.00 0.00 179.25 180.43 5rub h GLY 406 N 0.69 0.19 1.06 0.00 0.00 -1.02 -1.11 103.07 102.88 5rub h GLY 406 Ca 0.10 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 5rub h GLY 406 CO -0.00 0.11 -0.24 0.00 0.00 0.00 0.00 176.54 176.41 5rub h ALA 407 N 0.85 0.58 -0.89 3.60 0.00 -0.98 -3.00 119.26 119.42 5rub h ALA 407 Ca 0.04 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.57 5rub h ALA 407 Cb 0.22 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 5rub h ALA 407 CO -0.00 0.57 0.59 0.00 0.00 0.00 0.00 179.25 180.41 5rub h ARG 408 N 0.70 1.14 -0.18 0.00 3.08 -0.82 -2.24 114.38 116.06 5rub h ARG 408 Ca 0.09 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 5rub h ARG 408 Cb 0.81 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 5rub h ARG 408 CO 0.07 0.76 -0.05 0.66 -1.07 0.00 0.00 179.97 180.33 5rub h SER 409 N 1.18 0.25 -0.23 7.04 4.64 -1.10 -0.15 113.55 125.18 5rub h SER 409 Ca 0.33 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 5rub h SER 409 Cb -0.09 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 5rub h SER 409 CO -0.08 0.35 -0.22 -0.07 -0.87 0.00 0.00 176.83 175.94 5rub h LEU 410 N 0.27 0.60 -0.68 5.97 3.38 -1.28 -0.96 115.31 122.61 5rub h LEU 410 Ca 0.06 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.56 5rub h LEU 410 Cb 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 5rub h LEU 410 CO 0.01 0.94 0.43 -0.09 0.09 0.00 0.00 178.44 179.83 5rub h ARG 411 N 0.26 0.91 -0.47 1.13 2.43 -1.21 -1.64 114.38 115.79 5rub h ARG 411 Ca 0.04 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 5rub h ARG 411 Cb 0.77 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 5rub h ARG 411 CO 0.06 0.63 -0.01 1.96 -1.51 0.00 0.00 179.97 181.09 5rub h GLN 412 N 0.93 0.84 -0.61 0.20 4.20 -0.94 -0.26 115.11 119.47 5rub h GLN 412 Ca 0.25 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 5rub h GLN 412 Cb -0.07 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 5rub h GLN 412 CO -0.05 0.89 0.24 0.00 -0.67 0.00 0.00 178.83 179.24 5rub h ALA 413 N 0.92 1.29 0.08 3.87 0.00 -1.01 -0.61 119.26 123.79 5rub h ALA 413 Ca 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 5rub h ALA 413 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.07 5rub h ALA 413 CO 0.03 0.53 -0.04 2.35 0.00 0.00 0.00 179.25 182.12 5rub h TRP 414 N 0.87 -0.09 -0.06 0.00 7.01 -0.80 -2.48 115.95 120.39 5rub h TRP 414 Ca 0.21 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.24 5rub h TRP 414 Cb 0.17 0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 5rub h TRP 414 CO 0.01 0.23 -0.23 1.96 -2.79 0.00 0.00 178.44 177.62 5rub h GLN 415 N -0.42 -0.32 -0.29 2.65 4.20 -0.86 0.13 115.11 120.20 5rub h GLN 415 Ca -0.01 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.79 5rub h GLN 415 Cb 0.36 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.14 5rub h GLN 415 CO 0.02 -0.21 -0.21 0.00 -0.67 0.00 0.00 178.83 177.76 5rub h ALA 416 N 0.58 -0.02 -0.51 3.87 0.00 -1.09 -1.43 119.26 120.66 5rub h ALA 416 Ca 0.08 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.15 5rub h ALA 416 Cb 0.44 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 5rub h ALA 416 CO -0.25 -0.61 0.21 2.35 0.00 0.00 0.00 179.25 180.95 5rub h TRP 417 N -0.18 0.37 -0.13 0.00 7.01 -1.07 0.11 115.95 122.06 5rub h TRP 417 Ca 0.16 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 5rub h TRP 417 Cb 0.42 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 5rub h TRP 417 CO -0.39 0.14 0.08 -0.09 -2.79 0.00 0.00 178.44 175.39 5rub h ARG 418 N 0.41 0.18 0.00 2.65 2.43 -0.35 -2.97 114.38 116.72 5rub h ARG 418 Ca 0.24 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 5rub h ARG 418 Cb 0.23 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 5rub h ARG 418 CO -0.22 0.17 0.00 -0.44 -1.51 0.00 0.00 179.97 177.97 5rub h ASP 419 N 0.14 0.00 0.00 -3.80 3.32 -0.95 -3.47 116.42 111.66 5rub h ASP 419 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 5rub h ASP 419 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 5rub h ASP 419 CO -0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 5rub n GLY 420 N 0.73 0.47 3.78 2.75 0.00 0.24 -5.02 105.19 108.14 5rub n GLY 420 Ca 0.03 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 4.52 0.35 1.61 1.01 -0.34 -5.02 120.40 120.53 5rub s VAL 421 Ca 0.00 1.58 -0.28 0.00 0.00 0.00 0.00 61.98 63.27 5rub s VAL 421 Cb 0.00 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 5rub s VAL 421 CO 0.00 0.50 1.42 -2.16 0.00 0.00 0.00 175.10 174.86 5rub s PRO 422 N -0.94 4.22 0.15 2.72 0.04 -1.26 -4.40 135.00 135.52 5rub s PRO 422 Ca 0.35 2.42 -0.13 0.00 0.04 0.00 0.00 61.00 63.67 5rub s PRO 422 Cb -0.22 -3.02 0.03 0.00 0.04 0.00 0.00 34.50 31.33 5rub s PRO 422 CO 0.24 -0.39 1.65 0.28 0.04 0.00 0.00 177.00 178.82 5rub h VAL 423 N 3.03 1.24 -0.89 -0.36 2.07 -1.95 -2.62 116.25 116.77 5rub h VAL 423 Ca -0.50 -0.85 0.12 0.00 0.82 0.00 0.00 66.70 66.30 5rub h VAL 423 Cb 1.23 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.76 5rub h VAL 423 CO 0.66 0.31 0.51 -0.07 0.02 0.00 0.00 177.57 179.00 5rub h LEU 424 N 0.68 0.70 -0.69 2.57 -0.00 -2.00 0.23 115.31 116.80 5rub h LEU 424 Ca 0.16 0.07 -0.14 0.00 -0.00 0.00 0.00 57.88 57.96 5rub h LEU 424 Cb 0.33 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 5rub h LEU 424 CO 0.00 0.35 -0.47 0.44 -0.00 0.00 0.00 178.44 178.76 5rub h ASP 425 N 0.79 0.47 -0.34 -0.43 5.19 -1.91 -2.98 116.42 117.22 5rub h ASP 425 Ca 0.46 -0.23 -0.14 0.00 -0.62 0.00 0.00 57.03 56.50 5rub h ASP 425 Cb 0.52 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 5rub h ASP 425 CO -0.30 0.87 -0.32 0.22 -3.12 0.00 0.00 179.24 176.59 5rub h TYR 426 N 0.35 1.02 -0.38 4.55 5.03 -0.80 -3.15 116.97 123.59 5rub h TYR 426 Ca 0.02 -0.28 0.05 0.00 2.58 0.00 0.00 58.73 61.10 5rub h TYR 426 Cb 0.96 -0.23 -0.05 0.00 1.55 0.00 0.00 36.73 38.97 5rub h TYR 426 CO 0.03 1.07 0.11 0.00 -1.32 0.00 0.00 178.16 178.05 5rub h ALA 427 N 0.90 0.42 -1.01 1.82 0.00 -0.96 -1.88 119.26 118.55 5rub h ALA 427 Ca 0.07 0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.29 5rub h ALA 427 Cb 0.89 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 5rub h ALA 427 CO 0.08 -0.29 0.66 0.00 0.00 0.00 0.00 179.25 179.70 5rub h ARG 428 N 0.25 0.36 -0.42 0.00 3.08 -1.48 0.20 114.38 116.37 5rub h ARG 428 Ca 0.18 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.20 5rub h ARG 428 Cb 0.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.15 5rub h ARG 428 CO -0.20 0.24 0.00 0.39 -1.07 0.00 0.00 179.97 179.33 5rub n GLU 429 N -4.56 2.45 -3.57 0.04 1.02 -0.85 -4.81 120.64 110.36 5rub n GLU 429 Ca 0.23 -2.25 -0.28 0.00 -0.02 0.00 0.00 57.16 54.84 5rub n GLU 429 Cb 0.85 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.64 5rub n GLU 429 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 5rub s HIS 430 N -1.30 0.39 0.17 -0.32 3.76 0.69 -5.06 115.29 113.61 5rub s HIS 430 Ca 0.37 -0.82 -0.23 0.00 -0.15 0.00 0.00 55.06 54.23 5rub s HIS 430 Cb 0.21 -0.91 0.07 0.00 1.11 0.00 0.00 32.58 33.06 5rub s HIS 430 CO 0.29 -0.77 1.59 -0.22 -0.85 0.00 0.00 174.74 174.78 5rub h LYS 431 N 8.39 -0.23 -0.53 1.40 3.11 -1.88 0.14 116.57 126.97 5rub h LYS 431 Ca -0.19 0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 57.56 5rub h LYS 431 Cb 1.04 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.30 5rub h LYS 431 CO 0.41 -0.15 -0.10 0.93 -2.81 0.00 0.00 179.45 177.73 5rub h GLU 432 N -0.24 1.00 -0.43 1.90 3.07 -1.91 0.47 114.58 118.45 5rub h GLU 432 Ca 0.19 -0.37 -0.06 0.00 -0.50 0.00 0.00 59.36 58.61 5rub h GLU 432 Cb 0.55 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 5rub h GLU 432 CO -0.60 1.05 0.02 1.25 -1.40 0.00 0.00 179.01 179.34 5rub h LEU 433 N 0.88 0.73 -0.17 1.33 5.85 -1.79 -1.48 115.31 120.65 5rub h LEU 433 Ca 0.14 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.62 5rub h LEU 433 Cb 0.67 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 5rub h LEU 433 CO 0.05 0.84 -0.25 0.00 -0.34 0.00 0.00 178.44 178.74 5rub h ALA 434 N 0.91 -0.20 0.00 1.25 0.00 -0.66 -1.87 119.26 118.69 5rub h ALA 434 Ca 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 5rub h ALA 434 Cb 0.46 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 5rub h ALA 434 CO 0.02 -0.70 -0.07 0.00 0.00 0.00 0.00 179.25 178.50 5rub h ARG 435 N -0.29 0.00 -0.36 0.00 2.47 0.00 -2.65 114.38 113.55 5rub h ARG 435 Ca 0.11 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.68 5rub h ARG 435 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 5rub h ARG 435 CO -0.34 0.07 -0.37 0.00 0.56 0.00 0.00 179.97 179.89 5rub h ALA 436 N 1.93 0.65 -0.99 0.04 0.00 -0.42 -2.75 119.26 117.72 5rub h ALA 436 Ca -0.00 -0.45 0.24 0.00 0.00 0.00 0.00 54.91 54.70 5rub h ALA 436 Cb 0.18 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 5rub h ALA 436 CO 0.01 0.67 0.58 0.74 0.00 0.00 0.00 179.25 181.25 5rub h PHE 437 N 0.70 0.99 0.05 0.00 0.04 -1.25 -0.08 116.94 117.40 5rub h PHE 437 Ca 0.06 0.04 -0.23 0.00 2.80 0.00 0.00 57.97 60.63 5rub h PHE 437 Cb 0.95 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 5rub h PHE 437 CO 0.06 0.07 -1.08 0.93 -0.60 0.00 0.00 178.31 177.68 5rub h GLU 438 N 0.58 0.14 0.00 1.51 5.08 -1.70 -1.77 114.58 118.42 5rub h GLU 438 Ca 0.63 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.70 5rub h GLU 438 Cb 1.18 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 5rub h GLU 438 CO -0.47 1.08 -0.32 0.77 -1.00 0.00 0.00 179.01 179.07 5rub h SER 439 N 0.05 0.00 -1.75 1.42 0.02 -0.72 -3.23 113.55 109.34 5rub h SER 439 Ca -0.07 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.38 5rub h SER 439 Cb 1.81 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.99 5rub h SER 439 CO 0.16 0.32 -1.05 0.49 -1.14 0.00 0.00 176.83 175.61 5rub n PHE 440 N -3.99 -0.62 0.18 3.45 3.01 -0.91 -4.91 117.46 113.68 5rub n PHE 440 Ca -0.02 -3.40 0.03 0.00 1.01 0.00 0.00 57.45 55.07 5rub n PHE 440 Cb 0.38 -0.12 0.39 0.00 -0.01 0.00 0.00 39.48 40.12 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 3.77 0.06 -0.50 -1.08 0.13 -1.34 -2.14 132.00 130.90 5rub h PRO 441 Ca 0.05 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.08 5rub h PRO 441 Cb 0.92 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 5rub h PRO 441 CO 0.45 0.34 -0.02 0.78 -0.23 0.00 0.00 178.00 179.31 5rub h GLY 442 N 0.90 0.92 1.39 1.56 0.00 -1.90 -0.95 103.07 105.00 5rub h GLY 442 Ca 0.01 -0.65 -0.19 0.00 0.00 0.00 0.00 47.33 46.49 5rub h GLY 442 CO 0.04 0.60 -0.70 -1.80 0.00 0.00 0.00 176.54 174.67 5rub h ASP 443 N 0.79 0.71 0.61 0.19 1.82 -1.79 -3.06 116.42 115.68 5rub h ASP 443 Ca 0.15 -0.44 -0.03 0.00 -0.39 0.00 0.00 57.03 56.31 5rub h ASP 443 Cb 0.51 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 40.32 5rub h ASP 443 CO 0.03 1.20 -0.29 0.00 -1.61 0.00 0.00 179.24 178.57 5rub h ALA 444 N 0.79 -0.82 -0.42 -0.78 0.00 -1.29 -1.25 119.26 115.48 5rub h ALA 444 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.68 5rub h ALA 444 Cb 1.30 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.40 5rub h ALA 444 CO 0.13 -0.87 0.00 -0.25 0.00 0.00 0.00 179.25 178.27 5rub n ASP 445 N -5.38 0.00 -0.23 0.00 10.43 -0.37 0.29 116.55 121.29 5rub n ASP 445 Ca -0.12 0.77 -0.10 0.00 2.57 0.00 0.00 54.79 57.91 5rub n ASP 445 Cb 0.35 -0.35 -0.05 0.00 1.84 0.00 0.00 41.12 42.91 5rub n ASP 445 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 5rub h GLN 446 N 0.00 -0.21 0.44 -1.24 1.08 -1.54 -2.96 115.11 110.68 5rub h GLN 446 Ca 0.00 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 5rub h GLN 446 Cb 0.00 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 5rub h GLN 446 CO 0.00 -0.14 -0.21 0.82 -0.95 0.00 0.00 178.83 178.34 5rub h ILE 447 N -0.22 0.00 -2.93 2.54 1.08 0.17 -3.42 117.51 114.73 5rub h ILE 447 Ca 0.16 -0.51 -0.62 0.00 -0.39 0.00 0.00 64.86 63.50 5rub h ILE 447 Cb 0.55 0.00 -0.42 0.00 -3.07 0.00 0.00 36.82 33.88 5rub h ILE 447 CO -0.72 0.00 -0.58 -1.22 -0.69 0.00 0.00 178.15 174.94 5rub n TYR 448 N -5.03 3.31 -2.42 1.37 4.01 0.84 -5.05 117.16 114.18 5rub n TYR 448 Ca -0.07 -4.29 -0.43 0.00 -0.16 0.00 0.00 57.90 52.95 5rub n TYR 448 Cb 0.24 -0.61 -0.02 0.00 -0.31 0.00 0.00 39.34 38.63 5rub n TYR 448 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 5rub s PRO 449 N -1.64 4.25 0.00 -0.72 0.04 -1.12 -2.69 135.00 133.12 5rub s PRO 449 Ca 0.27 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.98 5rub s PRO 449 Cb -0.01 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.79 5rub s PRO 449 CO -0.14 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.63 5rub n GLY 450 N 3.58 1.29 0.13 0.56 0.00 -1.26 -5.02 105.19 104.47 5rub n GLY 450 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.20 -0.45 1.61 5.08 -1.89 0.13 115.95 120.23 5rub h TRP 451 Ca 0.00 0.01 0.08 0.00 1.08 0.00 0.00 58.89 60.06 5rub h TRP 451 Cb 0.00 0.10 -0.07 0.00 -3.00 0.00 0.00 29.16 26.20 5rub h TRP 451 CO 0.00 -0.13 0.06 0.00 -1.28 0.00 0.00 178.44 177.10 5rub h ARG 452 N -0.10 0.18 -0.13 0.12 3.08 -1.93 0.93 114.38 116.54 5rub h ARG 452 Ca 0.06 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.14 5rub h ARG 452 Cb 0.19 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 5rub h ARG 452 CO -0.15 0.12 -0.45 -0.22 -1.07 0.00 0.00 179.97 178.21 5rub h LYS 453 N 0.19 -0.50 0.00 0.04 1.63 -1.74 3.67 116.57 119.86 5rub h LYS 453 Ca 0.23 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 5rub h LYS 453 Cb 0.30 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 5rub h LYS 453 CO -0.32 -0.33 -0.01 0.00 -3.45 0.00 0.00 179.45 175.34 5rub h ALA 454 N 0.02 1.00 0.00 5.00 0.00 0.17 -3.28 119.26 122.18 5rub h ALA 454 Ca 0.07 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 5rub h ALA 454 Cb 0.64 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 5rub h ALA 454 CO -0.41 0.01 -2.09 1.28 0.00 0.00 0.00 179.25 178.04 5rub n LEU 455 N -3.10 2.32 0.00 0.00 4.32 0.32 -4.96 117.00 115.89 5rub n LEU 455 Ca -0.00 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 5rub n LEU 455 Cb 0.27 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 5rub n LEU 455 CO 0.26 0.65 0.00 0.61 -1.22 0.00 0.00 177.39 177.69 5rub n GLY 456 N 2.24 2.84 0.00 -0.72 0.00 1.20 -5.04 105.19 105.71 5rub n GLY 456 Ca -0.36 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.08 5rub n GLY 456 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65