#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rug s VAL 18 N 0.00 4.79 0.01 12.58 -7.23 -1.26 -0.81 120.40 128.47 1rug s VAL 18 Ca 0.00 1.24 0.11 0.00 -1.81 0.00 0.00 61.98 61.52 1rug s VAL 18 Cb 0.00 -3.92 -0.21 0.00 0.56 0.00 0.00 36.38 32.81 1rug s VAL 18 CO 0.00 0.50 0.90 0.00 -0.31 0.00 0.00 175.10 176.19 1rug h ALA 19 N 4.96 0.62 -2.73 1.32 0.00 -0.70 -3.44 119.26 119.29 1rug h ALA 19 Ca -0.48 -1.23 -0.12 0.00 0.00 0.00 0.00 54.91 53.08 1rug h ALA 19 Cb 1.21 0.25 -0.23 0.00 0.00 0.00 0.00 17.79 19.01 1rug h ALA 19 CO 0.66 1.42 -0.25 -1.54 0.00 0.00 0.00 179.25 179.55 1rug s SER 20 N -6.30 -0.39 0.50 0.00 1.04 -0.83 -4.97 113.70 102.76 1rug s SER 20 Ca -0.02 0.70 0.07 0.00 0.48 0.00 0.00 55.95 57.17 1rug s SER 20 Cb 0.09 0.73 0.04 0.00 0.10 0.00 0.00 66.02 66.98 1rug s SER 20 CO 0.82 -0.19 0.69 0.27 0.98 0.00 0.00 173.24 175.81 1rug s ILE 21 N -0.03 2.64 0.04 -1.02 -4.36 -1.26 -1.99 121.20 115.22 1rug s ILE 21 Ca -0.02 -0.93 -0.29 0.00 -0.26 0.00 0.00 60.65 59.15 1rug s ILE 21 Cb -0.03 -2.72 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 1rug s ILE 21 CO 0.01 0.00 0.92 -0.55 0.24 0.00 0.00 174.94 175.56 1rug s SER 22 N -4.48 7.37 0.00 4.36 0.15 -1.26 -3.73 113.70 116.10 1rug s SER 22 Ca 0.58 1.64 -0.04 0.00 0.70 0.00 0.00 55.95 58.84 1rug s SER 22 Cb -0.08 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 1rug s SER 22 CO 0.36 -0.14 0.06 -0.55 1.20 0.00 0.00 173.24 174.18 1rug s SER 23 N 0.48 0.09 0.00 5.45 0.15 -0.30 -4.90 113.70 114.67 1rug s SER 23 Ca 0.47 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1rug s SER 23 Cb -0.22 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1rug s SER 23 CO 0.27 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1rug n GLY 24 N 1.80 7.37 3.62 9.45 0.00 -1.26 -2.07 105.19 124.10 1rug n GLY 24 Ca -0.21 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 1rug n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rug n PRO 25 N 0.00 0.29 -4.26 1.61 -0.02 -1.26 -4.72 135.00 126.64 1rug n PRO 25 Ca 0.00 0.16 -0.18 0.00 -2.02 0.00 0.00 63.50 61.47 1rug n PRO 25 Cb 0.00 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.07 1rug n PRO 25 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1rug s LYS 26 N -3.65 0.61 -0.43 -0.52 2.20 -1.26 -5.11 119.74 111.58 1rug s LYS 26 Ca 0.72 -0.25 0.07 0.00 -0.36 0.00 0.00 55.97 56.15 1rug s LYS 26 Cb -0.31 -0.59 0.23 0.00 -1.51 0.00 0.00 37.83 35.65 1rug s LYS 26 CO 0.52 0.14 0.61 1.58 -0.36 0.00 0.00 175.35 177.84 1rug n HIS 27 N 3.00 -1.52 -4.21 4.03 -0.00 -1.26 -5.14 115.22 110.11 1rug n HIS 27 Ca -0.14 -2.87 -0.28 0.00 0.46 0.00 0.00 57.72 54.89 1rug n HIS 27 Cb 0.57 0.40 -0.05 0.00 -0.12 0.00 0.00 29.99 30.79 1rug n HIS 27 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1rug s THR 28 N -0.33 1.70 -1.83 3.57 -4.23 -1.26 -5.00 115.64 108.25 1rug s THR 28 Ca 0.34 -1.70 0.15 0.00 -1.18 0.00 0.00 61.69 59.29 1rug s THR 28 Cb 0.15 -2.40 0.11 0.00 1.34 0.00 0.00 72.50 71.71 1rug s THR 28 CO -0.16 0.00 0.96 1.67 -0.54 0.00 0.00 174.62 176.56 1rug n GLN 29 N -1.47 1.08 -3.80 3.99 -0.06 -1.26 -4.75 117.38 111.12 1rug n GLN 29 Ca -0.07 -1.36 -0.35 0.00 -2.00 0.00 0.00 57.00 53.22 1rug n GLN 29 Cb 0.65 -1.28 -0.11 0.00 -4.06 0.00 0.00 30.24 25.44 1rug n GLN 29 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1rug s LYS 30 N -1.25 2.15 -0.64 3.69 2.20 -1.26 -5.07 119.74 119.57 1rug s LYS 30 Ca 0.17 -2.18 -0.12 0.00 -0.36 0.00 0.00 55.97 53.48 1rug s LYS 30 Cb 0.12 -3.57 0.16 0.00 -1.51 0.00 0.00 37.83 33.03 1rug s LYS 30 CO 0.19 -1.10 0.56 0.08 -0.36 0.00 0.00 175.35 174.72 1rug s VAL 31 N 0.52 5.00 -0.69 4.02 1.01 -1.26 -4.95 120.40 124.05 1rug s VAL 31 Ca 0.13 -2.07 0.19 0.00 0.00 0.00 0.00 61.98 60.23 1rug s VAL 31 Cb -0.22 -4.18 0.19 0.00 0.00 0.00 0.00 36.38 32.17 1rug s VAL 31 CO -0.04 -0.91 1.59 -0.81 0.00 0.00 0.00 175.10 174.93 1rug n PRO 32 N 4.52 0.11 0.00 2.72 -0.04 -1.26 -3.19 135.00 137.86 1rug n PRO 32 Ca -0.00 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 1rug n PRO 32 Cb 0.42 -1.72 0.30 0.00 -0.04 0.00 0.00 33.50 32.46 1rug n PRO 32 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1rug n ILE 33 N -1.93 0.00 -3.51 0.52 -5.35 -1.26 -4.79 119.36 103.03 1rug n ILE 33 Ca 0.02 -0.25 -0.39 0.00 -0.27 0.00 0.00 62.75 61.87 1rug n ILE 33 Cb 0.19 0.78 -0.10 0.00 -1.74 0.00 0.00 39.64 38.76 1rug n ILE 33 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1rug s LEU 34 N -2.27 4.08 0.00 7.28 1.43 -1.19 -5.07 118.68 122.94 1rug s LEU 34 Ca 0.28 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1rug s LEU 34 Cb 0.20 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1rug s LEU 34 CO 0.44 -0.12 0.04 1.07 0.23 0.00 0.00 176.35 178.01 1rug n THR 35 N 5.09 0.00 -3.80 5.49 5.66 -1.26 -5.04 114.28 120.42 1rug n THR 35 Ca -0.12 -0.51 -0.30 0.00 -3.05 0.00 0.00 64.05 60.08 1rug n THR 35 Cb 0.51 0.21 -0.14 0.00 -1.55 0.00 0.00 70.33 69.36 1rug n THR 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rug s ALA 36 N -2.25 2.43 -1.15 1.79 0.00 -1.26 -4.99 121.76 116.33 1rug s ALA 36 Ca 0.06 -2.64 0.06 0.00 0.00 0.00 0.00 51.96 49.44 1rug s ALA 36 Cb 0.00 -1.93 0.28 0.00 0.00 0.00 0.00 23.12 21.48 1rug s ALA 36 CO 0.04 -1.97 1.15 0.09 0.00 0.00 0.00 175.76 175.07 1rug n ASN 37 N 3.68 0.00 0.17 0.00 4.13 -1.26 -2.16 115.26 119.81 1rug n ASN 37 Ca 0.06 0.39 0.13 0.00 1.68 0.00 0.00 54.58 56.84 1rug n ASN 37 Cb 0.36 -0.43 0.57 0.00 -1.54 0.00 0.00 39.78 38.74 1rug n ASN 37 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1rug h GLU 38 N 0.00 0.00 0.00 3.52 4.39 -1.94 -2.82 114.58 117.73 1rug h GLU 38 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1rug h GLU 38 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1rug h GLU 38 CO 0.00 0.00 -0.35 1.79 -1.16 0.00 0.00 179.01 179.29 1rug h THR 39 N 0.00 0.70 0.00 1.13 1.35 -1.89 -3.46 112.91 110.74 1rug h THR 39 Ca 0.00 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 1rug h THR 39 Cb 0.31 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1rug h THR 39 CO 0.00 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 1rug n GLY 40 N 0.66 0.56 3.92 5.82 0.00 -1.07 -5.08 105.19 110.00 1rug n GLY 40 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1rug n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rug s ALA 41 N -2.14 3.66 -0.47 4.61 0.00 -1.26 -5.05 121.76 121.11 1rug s ALA 41 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1rug s ALA 41 Cb 0.00 -2.22 0.12 0.00 0.00 0.00 0.00 23.12 21.03 1rug s ALA 41 CO 0.00 0.13 0.30 0.99 0.00 0.00 0.00 175.76 177.19 1rug s THR 42 N -2.19 3.76 0.24 0.00 2.01 -1.26 -4.85 115.64 113.36 1rug s THR 42 Ca 0.42 -2.08 -0.31 0.00 0.31 0.00 0.00 61.69 60.03 1rug s THR 42 Cb -0.10 -3.51 -0.12 0.00 0.01 0.00 0.00 72.50 68.77 1rug s THR 42 CO 0.33 -0.76 1.65 0.80 -0.69 0.00 0.00 174.62 175.95 1rug n MET 43 N 4.56 2.68 -1.09 4.92 0.00 -1.26 -4.86 117.12 122.08 1rug n MET 43 Ca -0.03 0.96 -0.34 0.00 0.00 0.00 0.00 57.70 58.29 1rug n MET 43 Cb 0.41 -2.77 -0.03 0.00 0.00 0.00 0.00 33.22 30.83 1rug n MET 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1rug n PRO 44 N 3.12 2.19 -2.80 2.12 -0.04 -1.26 -4.92 135.00 133.41 1rug n PRO 44 Ca 0.13 -1.84 -0.37 0.00 -0.04 0.00 0.00 63.50 61.38 1rug n PRO 44 Cb 0.35 -2.77 -0.06 0.00 -0.04 0.00 0.00 33.50 30.98 1rug n PRO 44 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rug s VAL 45 N 3.77 4.22 0.22 0.52 1.01 -1.26 -5.07 120.40 123.82 1rug s VAL 45 Ca 0.50 1.81 0.09 0.00 0.00 0.00 0.00 61.98 64.38 1rug s VAL 45 Cb 0.13 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1rug s VAL 45 CO 0.01 0.17 -0.16 -0.76 0.00 0.00 0.00 175.10 174.36 1rug s LEU 46 N -1.98 2.56 0.34 3.92 1.43 -1.26 -5.04 118.68 118.65 1rug s LEU 46 Ca 0.49 -1.02 0.13 0.00 -1.03 0.00 0.00 54.13 52.70 1rug s LEU 46 Cb -0.19 -0.78 0.96 0.00 0.03 0.00 0.00 46.19 46.21 1rug s LEU 46 CO 0.24 -0.11 1.74 -0.65 0.23 0.00 0.00 176.35 177.80 1rug h PRO 47 N 2.52 0.50 -0.78 1.29 0.11 -1.96 0.14 132.00 133.82 1rug h PRO 47 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1rug h PRO 47 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rug h PRO 47 CO 0.61 0.33 0.00 -1.13 -0.21 0.00 0.00 178.00 177.60 1rug n SER 48 N -4.81 0.78 -0.00 -2.05 3.41 -1.26 -1.74 113.62 107.95 1rug n SER 48 Ca 0.27 -1.59 0.06 0.00 -0.26 0.00 0.00 58.87 57.34 1rug n SER 48 Cb 0.80 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 1rug n SER 48 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rug n ASP 49 N 0.09 1.40 0.00 4.04 8.00 0.50 -4.73 116.55 125.84 1rug n ASP 49 Ca 0.00 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.12 1rug n ASP 49 Cb 0.19 1.28 0.00 0.00 -0.02 0.00 0.00 41.12 42.58 1rug n ASP 49 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1rug n SER 50 N -1.61 0.05 -4.28 -2.24 3.41 -0.89 -4.85 113.62 103.22 1rug n SER 50 Ca -0.00 -0.35 -0.22 0.00 -0.26 0.00 0.00 58.87 58.04 1rug n SER 50 Cb 0.25 0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 1rug n SER 50 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1rug s ILE 51 N -0.13 0.80 -0.21 -1.33 -4.36 -0.71 -5.13 121.20 110.13 1rug s ILE 51 Ca 0.00 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.17 1rug s ILE 51 Cb 0.00 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.10 1rug s ILE 51 CO 0.00 0.00 0.70 -1.61 0.24 0.00 0.00 174.94 174.27 1rug s GLU 52 N -3.85 4.20 0.44 0.37 2.02 -1.26 -4.54 118.70 116.08 1rug s GLU 52 Ca 0.32 0.74 0.07 0.00 0.02 0.00 0.00 54.97 56.12 1rug s GLU 52 Cb 0.06 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 1rug s GLU 52 CO 0.15 -0.34 0.25 0.95 0.02 0.00 0.00 175.26 176.29 1rug s THR 53 N 2.24 2.18 0.22 3.63 -4.23 -0.88 -4.90 115.64 113.90 1rug s THR 53 Ca 0.31 -1.61 0.10 0.00 -1.18 0.00 0.00 61.69 59.31 1rug s THR 53 Cb -0.16 -2.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 1rug s THR 53 CO 0.10 0.00 -0.18 0.00 -0.54 0.00 0.00 174.62 173.99 1rug s ARG 54 N -4.02 1.46 0.37 3.99 1.70 -1.24 -1.15 118.95 120.05 1rug s ARG 54 Ca 0.39 -1.60 -0.27 0.00 -0.47 0.00 0.00 55.73 53.78 1rug s ARG 54 Cb 0.01 -1.48 -0.09 0.00 -0.57 0.00 0.00 34.95 32.82 1rug s ARG 54 CO 0.22 0.28 1.18 0.99 -1.08 0.00 0.00 175.30 176.89 1rug s THR 55 N -2.44 3.14 -0.03 4.99 2.01 -1.26 -4.30 115.64 117.76 1rug s THR 55 Ca 0.23 1.02 -0.12 0.00 0.31 0.00 0.00 61.69 63.13 1rug s THR 55 Cb -0.04 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1rug s THR 55 CO 0.10 0.15 0.27 0.42 -0.69 0.00 0.00 174.62 174.86 1rug s THR 56 N -1.33 0.05 0.25 -0.82 -4.23 -0.84 -4.98 115.64 103.74 1rug s THR 56 Ca 0.53 -0.45 0.06 0.00 -1.18 0.00 0.00 61.69 60.66 1rug s THR 56 Cb -0.32 -0.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.94 1rug s THR 56 CO 0.41 -0.25 0.24 -0.31 -0.54 0.00 0.00 174.62 174.18 1rug s TYR 57 N -1.10 3.21 0.01 3.99 2.02 -1.26 -0.05 117.35 124.17 1rug s TYR 57 Ca -0.12 -0.08 -0.20 0.00 -0.37 0.00 0.00 57.07 56.31 1rug s TYR 57 Cb -0.05 -1.45 -0.23 0.00 -0.40 0.00 0.00 41.96 39.82 1rug s TYR 57 CO 0.03 0.50 1.11 0.52 -1.57 0.00 0.00 175.55 176.13 1rug h MET 58 N 1.41 0.42 -3.28 -0.62 2.86 -1.26 -3.41 114.93 111.05 1rug h MET 58 Ca -0.49 -0.44 -0.36 0.00 -2.06 0.00 0.00 59.70 56.34 1rug h MET 58 Cb 1.24 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.00 1rug h MET 58 CO 0.61 1.10 -0.46 0.72 1.06 0.00 0.00 176.91 179.94 1rug n HIS 59 N -4.21 -1.14 -3.54 -0.22 8.25 -1.26 -4.95 115.22 108.15 1rug n HIS 59 Ca -0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.18 1rug n HIS 59 Cb 0.67 -3.55 -0.06 0.00 1.12 0.00 0.00 29.99 28.17 1rug n HIS 59 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1rug s PHE 60 N -2.89 -0.65 -0.01 4.41 5.36 -1.26 -5.08 117.98 117.86 1rug s PHE 60 Ca 0.00 1.16 0.05 0.00 -0.96 0.00 0.00 56.93 57.18 1rug s PHE 60 Cb 0.00 0.38 -0.07 0.00 -0.34 0.00 0.00 43.02 42.99 1rug s PHE 60 CO 0.00 -0.58 0.10 0.09 -1.46 0.00 0.00 175.22 173.37 1rug n ASN 61 N 1.10 3.82 0.00 6.13 5.03 -1.26 -5.01 115.26 125.07 1rug n ASN 61 Ca -0.19 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.24 1rug n ASN 61 Cb 0.57 1.20 0.00 0.00 -1.02 0.00 0.00 39.78 40.53 1rug n ASN 61 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rug n GLY 62 N 2.20 0.65 0.27 7.41 0.00 -1.26 -4.96 105.19 109.51 1rug n GLY 62 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1rug n GLY 62 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rug h SER 63 N 0.00 0.54 -0.44 1.61 0.02 -2.00 -3.25 113.55 110.03 1rug h SER 63 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1rug h SER 63 Cb 0.61 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1rug h SER 63 CO 0.00 0.33 0.00 1.21 -1.14 0.00 0.00 176.83 177.23 1rug n GLU 64 N -4.81 2.27 0.00 3.45 2.13 -1.26 -3.29 120.64 119.13 1rug n GLU 64 Ca 0.10 -1.68 0.00 0.00 0.66 0.00 0.00 57.16 56.24 1rug n GLU 64 Cb 0.23 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1rug n GLU 64 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1rug n THR 65 N 0.76 0.31 -1.82 6.31 -2.24 -1.23 -4.63 114.28 111.74 1rug n THR 65 Ca 0.16 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.90 1rug n THR 65 Cb 0.46 0.88 0.01 0.00 -2.10 0.00 0.00 70.33 69.57 1rug n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rug s ASP 66 N -0.31 6.09 0.58 3.42 -1.08 -1.21 -4.81 116.67 119.35 1rug s ASP 66 Ca 0.00 2.95 0.31 0.00 -0.52 0.00 0.00 52.55 55.29 1rug s ASP 66 Cb 0.00 -2.66 1.76 0.00 -1.46 0.00 0.00 42.92 40.56 1rug s ASP 66 CO 0.00 -1.03 2.20 -0.37 0.52 0.00 0.00 175.17 176.48 1rug h VAL 67 N 2.57 0.45 -0.23 1.11 -1.51 -1.95 -0.53 116.25 116.17 1rug h VAL 67 Ca -0.51 -0.21 -0.11 0.00 -1.23 0.00 0.00 66.70 64.64 1rug h VAL 67 Cb 1.25 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1rug h VAL 67 CO 0.62 0.04 -0.32 -0.08 -1.23 0.00 0.00 177.57 176.60 1rug h GLU 68 N 0.00 0.47 -0.01 5.19 4.57 -1.89 -2.04 114.58 120.86 1rug h GLU 68 Ca -0.00 -0.20 -0.23 0.00 -1.18 0.00 0.00 59.36 57.74 1rug h GLU 68 Cb 0.14 -0.01 0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1rug h GLU 68 CO 0.01 0.74 -0.90 0.00 -1.18 0.00 0.00 179.01 177.68 1rug h PHE 70 N 0.27 0.93 -0.03 0.00 3.57 -0.96 -2.73 116.94 118.00 1rug h PHE 70 Ca -0.11 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1rug h PHE 70 Cb 1.57 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1rug h PHE 70 CO 0.11 0.71 -0.04 1.28 -2.23 0.00 0.00 178.31 178.14 1rug n LEU 71 N -4.47 2.89 -1.24 0.59 4.77 -0.79 -4.62 117.00 114.12 1rug n LEU 71 Ca 0.04 -0.98 0.01 0.00 -0.03 0.00 0.00 56.01 55.06 1rug n LEU 71 Cb 0.14 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.41 1rug n LEU 71 CO 0.38 0.49 0.60 0.61 -1.33 0.00 0.00 177.39 178.14 1rug n GLY 72 N 1.34 2.36 3.56 -0.72 0.00 -0.39 -2.99 105.19 108.34 1rug n GLY 72 Ca 0.13 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1rug n GLY 72 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rug s ARG 73 N -1.82 2.03 0.25 1.61 1.70 -1.26 -4.75 118.95 116.71 1rug s ARG 73 Ca 0.27 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 53.98 1rug s ARG 73 Cb 0.21 -2.16 -0.11 0.00 -0.57 0.00 0.00 34.95 32.32 1rug s ARG 73 CO 0.07 0.45 1.56 0.00 -1.08 0.00 0.00 175.30 176.30 1rug s ALA 74 N -1.60 3.74 0.07 7.88 0.00 -1.26 -4.49 121.76 126.10 1rug s ALA 74 Ca 0.24 1.47 0.09 0.00 0.00 0.00 0.00 51.96 53.75 1rug s ALA 74 Cb -0.09 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1rug s ALA 74 CO 0.14 -0.87 -0.23 0.00 0.00 0.00 0.00 175.76 174.80 1rug s ALA 75 N 0.33 1.99 -0.01 0.00 0.00 -0.57 -4.88 121.76 118.62 1rug s ALA 75 Ca 0.65 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 1rug s ALA 75 Cb -0.46 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 1rug s ALA 75 CO 0.42 0.44 1.29 0.00 0.00 0.00 0.00 175.76 177.91 1rug n VAL 77 N 4.52 0.00 -3.64 0.00 0.24 0.67 -4.88 118.33 115.24 1rug n VAL 77 Ca 0.12 -0.38 -0.04 0.00 -2.04 0.00 0.00 64.34 61.99 1rug n VAL 77 Cb 0.45 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 1rug n VAL 77 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rug s HIS 78 N -1.37 -0.38 -0.13 6.34 2.46 -1.14 -4.24 115.29 116.83 1rug s HIS 78 Ca 0.04 0.84 0.01 0.00 0.47 0.00 0.00 55.06 56.41 1rug s HIS 78 Cb 0.05 0.33 0.02 0.00 -0.13 0.00 0.00 32.58 32.85 1rug s HIS 78 CO 0.22 -0.19 -0.15 0.08 -2.47 0.00 0.00 174.74 172.24 1rug s VAL 79 N 0.71 1.53 0.37 0.89 1.01 -1.26 -0.71 120.40 122.95 1rug s VAL 79 Ca -0.02 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1rug s VAL 79 Cb -0.04 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1rug s VAL 79 CO -0.12 0.45 0.08 1.07 0.00 0.00 0.00 175.10 176.58 1rug n THR 80 N 4.49 0.00 -3.63 3.92 5.66 0.94 -4.97 114.28 120.69 1rug n THR 80 Ca -0.18 -2.00 -0.15 0.00 -3.05 0.00 0.00 64.05 58.68 1rug n THR 80 Cb 0.51 0.60 -0.07 0.00 -1.55 0.00 0.00 70.33 69.81 1rug n THR 80 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1rug s GLU 81 N -3.38 0.81 0.10 1.09 2.12 -1.26 -0.97 118.70 117.20 1rug s GLU 81 Ca 0.11 0.61 0.04 0.00 0.36 0.00 0.00 54.97 56.09 1rug s GLU 81 Cb 0.01 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.75 1rug s GLU 81 CO 0.08 -0.16 -0.10 0.96 -0.54 0.00 0.00 175.26 175.50 1rug s ILE 82 N -0.22 0.97 0.14 -3.70 -4.36 -0.47 -4.81 121.20 108.75 1rug s ILE 82 Ca -0.04 -1.69 0.06 0.00 -0.26 0.00 0.00 60.65 58.73 1rug s ILE 82 Cb -0.03 -1.42 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 1rug s ILE 82 CO 0.04 -0.58 -0.14 0.00 0.24 0.00 0.00 174.94 174.50 1rug s GLN 83 N -2.90 1.11 -0.27 0.37 -2.07 0.18 -1.10 119.66 114.98 1rug s GLN 83 Ca 0.07 -1.35 -0.09 0.00 -1.82 0.00 0.00 55.36 52.17 1rug s GLN 83 Cb -0.02 -0.96 -0.04 0.00 -1.09 0.00 0.00 33.01 30.90 1rug s GLN 83 CO 0.00 0.18 0.13 1.21 -1.32 0.00 0.00 175.29 175.49 1rug s ASN 84 N -2.71 5.56 0.24 12.60 2.47 -0.46 -4.55 114.94 128.09 1rug s ASN 84 Ca 0.13 -0.14 -0.21 0.00 0.42 0.00 0.00 52.86 53.06 1rug s ASN 84 Cb -0.03 -2.02 0.04 0.00 -1.45 0.00 0.00 41.25 37.78 1rug s ASN 84 CO 0.04 -0.05 0.67 -1.59 -3.72 0.00 0.00 177.10 172.44 1rug s LYS 85 N 1.68 1.61 -0.02 0.43 -2.85 -1.26 -2.37 119.74 116.95 1rug s LYS 85 Ca 0.07 -0.83 -0.30 0.00 -1.00 0.00 0.00 55.97 53.91 1rug s LYS 85 Cb -0.16 0.60 -0.07 0.00 -2.06 0.00 0.00 37.83 36.14 1rug s LYS 85 CO 0.07 -0.72 1.74 0.34 0.10 0.00 0.00 175.35 176.88 1rug s ASP 86 N -2.87 6.61 0.00 0.03 -1.08 -1.26 -4.69 116.67 113.41 1rug s ASP 86 Ca 0.08 2.37 0.29 0.00 -0.52 0.00 0.00 52.55 54.77 1rug s ASP 86 Cb -0.04 -2.53 1.22 0.00 -1.46 0.00 0.00 42.92 40.10 1rug s ASP 86 CO 0.00 -0.96 1.85 0.00 0.52 0.00 0.00 175.17 176.58 1rug n ALA 87 N 7.16 2.75 -1.67 3.66 0.00 -1.26 -4.84 120.51 126.32 1rug n ALA 87 Ca 0.18 -0.31 -0.51 0.00 0.00 0.00 0.00 53.44 52.79 1rug n ALA 87 Cb 0.42 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 1rug n ALA 87 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1rug n THR 88 N -0.68 0.27 -1.77 0.00 -1.04 -1.26 0.07 114.28 109.87 1rug n THR 88 Ca 0.16 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.05 62.01 1rug n THR 88 Cb 0.28 -1.41 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 1rug n THR 88 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rug n GLY 89 N 3.77 0.59 3.68 3.41 0.00 -1.26 -5.01 105.19 110.36 1rug n GLY 89 Ca 0.22 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1rug n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rug s ILE 90 N -2.50 5.22 -1.49 -0.61 -1.09 0.11 -4.92 121.20 115.92 1rug s ILE 90 Ca 0.00 0.12 0.26 0.00 -2.23 0.00 0.00 60.65 58.81 1rug s ILE 90 Cb 0.00 -3.39 0.20 0.00 -1.58 0.00 0.00 42.46 37.69 1rug s ILE 90 CO 0.00 0.42 1.55 0.47 -1.23 0.00 0.00 174.94 176.14 1rug n ASP 91 N 3.77 0.80 -3.28 3.58 9.92 -1.26 -4.67 116.55 125.41 1rug n ASP 91 Ca -0.16 -0.64 -0.07 0.00 -0.53 0.00 0.00 54.79 53.39 1rug n ASP 91 Cb 0.52 0.15 -0.04 0.00 -0.64 0.00 0.00 41.12 41.10 1rug n ASP 91 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1rug s ASN 92 N -2.67 -0.25 0.26 -2.24 3.04 -1.26 -5.00 114.94 106.82 1rug s ASN 92 Ca 0.20 -1.02 -0.04 0.00 0.04 0.00 0.00 52.86 52.05 1rug s ASN 92 Cb 0.19 1.31 0.37 0.00 -1.54 0.00 0.00 41.25 41.58 1rug s ASN 92 CO 0.57 -0.23 1.89 0.45 -3.04 0.00 0.00 177.10 176.74 1rug h HIS 93 N 7.19 1.20 -0.64 0.43 3.86 -1.83 0.10 115.15 125.46 1rug h HIS 93 Ca 0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1rug h HIS 93 Cb 1.12 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 29.17 1rug h HIS 93 CO 0.24 0.65 0.38 -0.09 0.86 0.00 0.00 177.93 179.97 1rug h ARG 94 N 1.20 0.87 0.00 2.45 9.65 -1.78 0.13 114.38 126.88 1rug h ARG 94 Ca 0.41 -0.08 -0.03 0.00 -1.10 0.00 0.00 59.98 59.19 1rug h ARG 94 Cb 0.10 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.49 1rug h ARG 94 CO -0.15 0.62 -0.13 0.93 2.80 0.00 0.00 179.97 184.04 1rug h GLU 95 N 0.86 0.00 -0.24 0.20 5.08 -1.18 -2.46 114.58 116.84 1rug h GLU 95 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1rug h GLU 95 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1rug h GLU 95 CO -0.04 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 1rug n ALA 96 N -2.19 2.49 -3.46 3.43 0.00 -0.26 -4.89 120.51 115.63 1rug n ALA 96 Ca -0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 53.44 52.64 1rug n ALA 96 Cb 0.34 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.78 1rug n ALA 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rug n LYS 97 N 0.37 -5.22 0.00 0.00 4.76 -0.93 -4.65 118.16 112.48 1rug n LYS 97 Ca 0.14 0.70 0.10 0.00 -2.87 0.00 0.00 58.31 56.38 1rug n LYS 97 Cb 0.30 -5.57 0.45 0.00 -1.84 0.00 0.00 35.03 28.37 1rug n LYS 97 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1rug n LEU 98 N -4.31 0.00 0.00 -0.35 4.77 0.31 0.47 117.00 117.88 1rug n LEU 98 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1rug n LEU 98 Cb 0.56 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1rug n LEU 98 CO 0.59 -0.14 0.00 2.22 -1.33 0.00 0.00 177.39 178.74 1rug n PHE 99 N -1.44 0.00 -4.02 -1.77 1.16 -1.26 -4.51 117.46 105.63 1rug n PHE 99 Ca 0.06 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.55 1rug n PHE 99 Cb 0.21 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.02 1rug n PHE 99 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1rug s ASN 100 N 0.00 -0.06 0.12 5.98 3.04 -0.76 -4.48 114.94 118.78 1rug s ASN 100 Ca 0.00 -0.97 0.02 0.00 0.04 0.00 0.00 52.86 51.95 1rug s ASN 100 Cb 0.00 0.55 -0.01 0.00 -1.54 0.00 0.00 41.25 40.25 1rug s ASN 100 CO 0.00 -1.09 0.09 -0.90 -3.04 0.00 0.00 177.10 172.16 1rug n ASP 101 N -0.36 -0.06 -3.66 -4.21 5.68 -1.26 -1.25 116.55 111.43 1rug n ASP 101 Ca -0.02 -1.74 -0.07 0.00 -0.50 0.00 0.00 54.79 52.46 1rug n ASP 101 Cb 0.62 0.54 -0.09 0.00 -1.14 0.00 0.00 41.12 41.06 1rug n ASP 101 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1rug s TRP 102 N -2.40 -0.88 -1.02 2.11 -0.00 0.20 -4.96 118.94 111.99 1rug s TRP 102 Ca 0.13 1.69 -0.20 0.00 -0.00 0.00 0.00 56.10 57.72 1rug s TRP 102 Cb 0.01 0.43 0.10 0.00 -0.00 0.00 0.00 33.47 34.00 1rug s TRP 102 CO 0.09 -0.48 1.33 0.21 -0.00 0.00 0.00 176.95 178.10 1rug s LYS 103 N 2.19 3.67 0.23 5.86 2.36 -1.26 0.14 119.74 132.92 1rug s LYS 103 Ca -0.06 -1.60 -0.28 0.00 -2.55 0.00 0.00 55.97 51.48 1rug s LYS 103 Cb -0.10 -5.15 -0.16 0.00 -1.05 0.00 0.00 37.83 31.36 1rug s LYS 103 CO -0.15 -1.98 0.58 -0.89 1.55 0.00 0.00 175.35 174.46 1rug n ILE 104 N 6.03 1.94 0.00 5.43 5.41 -0.66 -4.91 119.36 132.60 1rug n ILE 104 Ca 0.31 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1rug n ILE 104 Cb 0.49 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 1rug n ILE 104 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1rug n ASN 105 N 1.88 0.00 0.00 4.38 0.23 -1.26 -4.61 115.26 115.88 1rug n ASN 105 Ca 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.21 1rug n ASN 105 Cb 0.27 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1rug n ASN 105 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1rug n LEU 106 N 0.00 0.75 -0.80 -4.53 7.94 -1.26 -4.63 117.00 114.47 1rug n LEU 106 Ca 0.00 -0.75 0.11 0.00 -1.11 0.00 0.00 56.01 54.25 1rug n LEU 106 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 1rug n LEU 106 CO 0.00 0.19 0.54 -0.24 -1.11 0.00 0.00 177.39 176.77 1rug n SER 107 N -0.05 2.66 -0.05 1.96 2.88 -1.26 -4.53 113.62 115.24 1rug n SER 107 Ca 0.00 -1.83 -0.15 0.00 -1.33 0.00 0.00 58.87 55.56 1rug n SER 107 Cb 0.12 0.10 -0.08 0.00 -0.75 0.00 0.00 64.21 63.60 1rug n SER 107 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1rug h SER 108 N 3.94 0.57 -3.12 -3.46 0.87 -1.85 -3.43 113.55 107.07 1rug h SER 108 Ca 0.00 -0.58 -0.61 0.00 -1.23 0.00 0.00 61.79 59.37 1rug h SER 108 Cb 0.88 -0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 62.58 1rug h SER 108 CO 0.00 1.05 -0.36 -0.76 -0.53 0.00 0.00 176.83 176.24 1rug s LEU 109 N -8.76 4.30 -0.29 2.23 1.43 -1.26 -5.00 118.68 111.33 1rug s LEU 109 Ca -0.13 0.53 0.12 0.00 -1.03 0.00 0.00 54.13 53.62 1rug s LEU 109 Cb 0.06 -2.31 0.77 0.00 0.03 0.00 0.00 46.19 44.74 1rug s LEU 109 CO 0.81 0.21 1.77 1.33 0.23 0.00 0.00 176.35 180.70 1rug n VAL 110 N 2.99 2.86 -0.09 -1.59 0.24 -1.26 -3.88 118.33 117.59 1rug n VAL 110 Ca -0.14 -1.58 -0.21 0.00 -2.04 0.00 0.00 64.34 60.36 1rug n VAL 110 Cb 0.53 -0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 32.45 1rug n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rug n GLN 111 N 0.11 0.66 0.08 7.34 6.02 -1.26 -3.80 117.38 126.53 1rug n GLN 111 Ca 0.35 0.24 -0.07 0.00 -0.01 0.00 0.00 57.00 57.51 1rug n GLN 111 Cb 1.30 -1.59 0.05 0.00 1.02 0.00 0.00 30.24 31.02 1rug n GLN 111 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1rug h LEU 112 N -0.25 0.30 -0.18 1.08 5.85 -1.90 -3.30 115.31 116.91 1rug h LEU 112 Ca -0.54 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1rug h LEU 112 Cb 1.83 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1rug h LEU 112 CO -0.11 0.93 0.12 -0.09 -0.34 0.00 0.00 178.44 178.95 1rug h ARG 113 N 0.17 0.23 -0.93 1.25 2.43 -1.72 -1.39 114.38 114.43 1rug h ARG 113 Ca -0.03 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1rug h ARG 113 Cb 1.30 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1rug h ARG 113 CO 0.11 0.15 0.57 -0.22 -1.51 0.00 0.00 179.97 179.08 1rug h LYS 114 N 0.24 1.25 0.02 0.20 3.64 -1.66 -1.02 116.57 119.24 1rug h LYS 114 Ca 0.07 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1rug h LYS 114 Cb -0.02 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1rug h LYS 114 CO -0.02 0.86 -0.05 0.87 -2.27 0.00 0.00 179.45 178.83 1rug h LYS 115 N 1.27 -0.10 -0.14 1.90 1.57 -1.53 -2.65 116.57 116.89 1rug h LYS 115 Ca 0.33 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.05 1rug h LYS 115 Cb -0.08 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1rug h LYS 115 CO -0.07 -0.07 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.47 1rug h LEU 116 N -0.10 0.23 -1.53 2.94 3.38 -0.87 -3.00 115.31 116.36 1rug h LEU 116 Ca 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rug h LEU 116 Cb 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rug h LEU 116 CO -0.04 0.46 0.00 -0.62 0.09 0.00 0.00 178.44 178.33 1rug n GLU 117 N -4.20 2.01 0.08 1.13 1.02 -0.42 -2.72 120.64 117.54 1rug n GLU 117 Ca -0.01 -0.92 0.13 0.00 -0.02 0.00 0.00 57.16 56.35 1rug n GLU 117 Cb 0.33 -1.59 0.45 0.00 -0.02 0.00 0.00 31.44 30.61 1rug n GLU 117 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1rug n LEU 118 N 0.18 0.62 -4.39 -4.62 7.94 -1.13 -4.75 117.00 110.84 1rug n LEU 118 Ca 0.08 0.55 -0.25 0.00 -1.11 0.00 0.00 56.01 55.28 1rug n LEU 118 Cb 0.45 -0.36 -0.12 0.00 0.53 0.00 0.00 43.42 43.92 1rug n LEU 118 CO 0.09 -0.13 -0.52 -0.36 -1.11 0.00 0.00 177.39 175.36 1rug s PHE 119 N -3.08 2.13 -0.17 1.96 0.08 -1.10 -0.67 117.98 117.13 1rug s PHE 119 Ca 0.11 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.61 1rug s PHE 119 Cb 0.14 -1.06 -0.22 0.00 -0.57 0.00 0.00 43.02 41.31 1rug s PHE 119 CO 0.58 0.44 0.28 1.15 -0.10 0.00 0.00 175.22 177.58 1rug h THR 120 N 3.24 0.82 -4.29 0.64 2.02 -0.76 -3.44 112.91 111.14 1rug h THR 120 Ca -0.45 -2.24 -0.64 0.00 0.77 0.00 0.00 66.41 63.84 1rug h THR 120 Cb 1.21 2.34 -0.27 0.00 -1.74 0.00 0.00 68.15 69.69 1rug h THR 120 CO 0.49 0.53 -0.86 -0.31 0.37 0.00 0.00 175.52 175.73 1rug s TYR 121 N -2.44 2.09 -0.03 3.16 2.02 -1.17 0.21 117.35 121.20 1rug s TYR 121 Ca -0.26 -0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 55.99 1rug s TYR 121 Cb 0.06 -1.26 0.01 0.00 -0.40 0.00 0.00 41.96 40.36 1rug s TYR 121 CO 0.66 0.08 0.12 0.54 -1.57 0.00 0.00 175.55 175.38 1rug s VAL 122 N -0.75 0.04 -0.03 0.71 0.11 -0.74 -1.36 120.40 118.37 1rug s VAL 122 Ca 0.10 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.84 1rug s VAL 122 Cb -0.09 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1rug s VAL 122 CO 0.01 -0.17 -0.01 -0.60 -3.33 0.00 0.00 175.10 171.00 1rug s ARG 123 N -0.56 0.41 0.03 1.54 3.52 0.51 -0.18 118.95 124.23 1rug s ARG 123 Ca -0.06 0.02 -0.28 0.00 -0.13 0.00 0.00 55.73 55.28 1rug s ARG 123 Cb -0.04 -0.54 0.09 0.00 -1.56 0.00 0.00 34.95 32.90 1rug s ARG 123 CO 0.01 -0.11 0.87 -0.59 -0.81 0.00 0.00 175.30 174.67 1rug s PHE 124 N 0.92 -0.34 0.38 5.12 -0.12 -1.26 -0.11 117.98 122.58 1rug s PHE 124 Ca -0.10 0.17 -0.07 0.00 -0.05 0.00 0.00 56.93 56.88 1rug s PHE 124 Cb -0.13 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 1rug s PHE 124 CO -0.01 -0.61 0.70 -0.51 -0.05 0.00 0.00 175.22 174.74 1rug s ASP 125 N -2.56 6.44 -0.03 1.98 1.01 0.43 -3.93 116.67 120.00 1rug s ASP 125 Ca 0.05 0.94 0.04 0.00 0.71 0.00 0.00 52.55 54.29 1rug s ASP 125 Cb -0.01 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 1rug s ASP 125 CO -0.08 -0.37 -0.13 -0.44 0.21 0.00 0.00 175.17 174.37 1rug s SER 126 N -3.38 4.16 -0.22 0.27 0.01 -0.49 -1.01 113.70 113.04 1rug s SER 126 Ca 0.48 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.52 1rug s SER 126 Cb -0.10 -0.89 0.01 0.00 0.21 0.00 0.00 66.02 65.24 1rug s SER 126 CO 0.34 0.33 -0.08 -0.70 0.41 0.00 0.00 173.24 173.53 1rug s GLU 127 N -0.92 3.17 -0.07 12.44 2.12 0.46 -0.21 118.70 135.68 1rug s GLU 127 Ca 0.13 -0.75 -0.13 0.00 0.36 0.00 0.00 54.97 54.58 1rug s GLU 127 Cb -0.11 -2.91 -0.05 0.00 0.26 0.00 0.00 34.13 31.33 1rug s GLU 127 CO 0.02 -0.25 0.32 0.71 -0.54 0.00 0.00 175.26 175.53 1rug s TYR 128 N 1.40 3.63 -0.06 5.30 2.02 -0.71 -1.58 117.35 127.34 1rug s TYR 128 Ca 0.04 0.79 0.05 0.00 -0.37 0.00 0.00 57.07 57.58 1rug s TYR 128 Cb -0.14 -2.23 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 1rug s TYR 128 CO -0.06 0.55 -0.21 0.99 -1.57 0.00 0.00 175.55 175.25 1rug s THR 129 N -0.62 2.43 -0.23 -0.71 2.01 -0.44 -2.64 115.64 115.45 1rug s THR 129 Ca 0.20 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1rug s THR 129 Cb -0.15 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.49 1rug s THR 129 CO 0.09 0.57 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.83 1rug s ILE 130 N -0.26 2.05 -0.13 1.82 1.01 0.26 0.02 121.20 125.96 1rug s ILE 130 Ca 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 60.65 59.21 1rug s ILE 130 Cb -0.13 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1rug s ILE 130 CO 0.03 0.15 0.18 -0.22 0.00 0.00 0.00 174.94 175.08 1rug s LEU 131 N 1.20 4.34 -0.11 2.97 2.96 -0.35 -1.34 118.68 128.36 1rug s LEU 131 Ca -0.04 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.33 1rug s LEU 131 Cb -0.18 -2.15 0.02 0.00 0.50 0.00 0.00 46.19 44.39 1rug s LEU 131 CO -0.08 0.32 -0.07 0.00 -1.32 0.00 0.00 176.35 175.20 1rug s ALA 132 N -0.58 1.25 0.13 5.97 0.00 -1.20 -0.79 121.76 126.55 1rug s ALA 132 Ca 0.14 -0.49 0.10 0.00 0.00 0.00 0.00 51.96 51.71 1rug s ALA 132 Cb -0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1rug s ALA 132 CO 0.03 -0.38 -0.24 0.95 0.00 0.00 0.00 175.76 176.12 1rug s THR 133 N 1.66 2.08 0.09 0.00 -4.23 -1.02 0.29 115.64 114.50 1rug s THR 133 Ca 0.04 -1.74 0.05 0.00 -1.18 0.00 0.00 61.69 58.86 1rug s THR 133 Cb -0.13 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1rug s THR 133 CO -0.07 -0.01 -0.01 0.00 -0.54 0.00 0.00 174.62 173.99 1rug s ALA 134 N -1.23 3.26 -0.02 3.99 0.00 -1.26 -1.56 121.76 124.94 1rug s ALA 134 Ca 0.13 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1rug s ALA 134 Cb -0.09 -1.17 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 1rug s ALA 134 CO 0.06 0.69 -0.08 0.45 0.00 0.00 0.00 175.76 176.89 1rug s SER 135 N -2.28 1.01 -0.68 0.00 0.15 0.12 -5.00 113.70 107.02 1rug s SER 135 Ca 0.25 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.80 1rug s SER 135 Cb -0.12 -0.20 0.17 0.00 -1.71 0.00 0.00 66.02 64.16 1rug s SER 135 CO 0.18 0.07 0.47 -1.58 1.20 0.00 0.00 173.24 173.58 1rug s GLN 136 N 0.04 2.36 0.13 5.44 0.74 -1.26 -0.05 119.66 127.06 1rug s GLN 136 Ca -0.00 -3.25 -0.19 0.00 0.05 0.00 0.00 55.36 51.97 1rug s GLN 136 Cb -0.06 -3.32 -0.01 0.00 1.10 0.00 0.00 33.01 30.72 1rug s GLN 136 CO -0.00 -1.28 1.75 -1.35 -0.55 0.00 0.00 175.29 173.86 1rug h PRO 137 N 5.47 0.19 -6.05 1.67 0.11 -1.97 -3.40 132.00 128.03 1rug h PRO 137 Ca 0.14 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.64 1rug h PRO 137 Cb 0.77 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 31.73 1rug h PRO 137 CO 0.70 0.12 0.69 -0.51 -0.21 0.00 0.00 178.00 178.80 1rug s ASP 138 N -5.31 6.35 0.00 -2.05 1.01 -1.26 -4.93 116.67 110.47 1rug s ASP 138 Ca -0.13 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 52.86 1rug s ASP 138 Cb 0.10 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1rug s ASP 138 CO 0.69 -1.33 0.00 -1.20 0.21 0.00 0.00 175.17 173.54 1rug n SER 139 N 7.82 0.00 -3.01 0.27 7.64 -1.26 -4.88 113.62 120.19 1rug n SER 139 Ca 0.03 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.74 1rug n SER 139 Cb 0.48 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.61 1rug n SER 139 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rug n ALA 140 N 0.00 0.62 -2.25 -0.43 0.00 -1.26 -5.06 120.51 112.14 1rug n ALA 140 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.69 1rug n ALA 140 Cb 0.00 1.42 0.00 0.00 0.00 0.00 0.00 19.45 20.87 1rug n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1rug n ASN 141 N -1.81 0.00 -4.68 0.00 3.02 -1.26 -5.08 115.26 105.45 1rug n ASN 141 Ca 0.07 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.23 1rug n ASN 141 Cb 0.55 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.66 1rug n ASN 141 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1rug s TYR 142 N 3.54 3.42 -0.29 3.10 -0.85 -1.26 -5.04 117.35 119.98 1rug s TYR 142 Ca 0.00 0.90 -0.14 0.00 -0.52 0.00 0.00 57.07 57.31 1rug s TYR 142 Cb 0.00 -2.70 -0.04 0.00 0.38 0.00 0.00 41.96 39.60 1rug s TYR 142 CO 0.00 -0.05 0.30 -1.54 -1.52 0.00 0.00 175.55 172.74 1rug s SER 143 N 1.02 6.15 -0.06 -0.18 1.04 -1.26 -4.98 113.70 115.44 1rug s SER 143 Ca 0.27 0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.56 1rug s SER 143 Cb -0.16 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 1rug s SER 143 CO 0.11 -0.17 0.63 -0.44 0.98 0.00 0.00 173.24 174.35 1rug s SER 144 N 1.70 6.93 -0.24 7.02 0.01 -1.26 -4.97 113.70 122.88 1rug s SER 144 Ca 0.11 1.11 -0.38 0.00 1.31 0.00 0.00 55.95 58.11 1rug s SER 144 Cb -0.16 -2.38 -0.14 0.00 0.21 0.00 0.00 66.02 63.55 1rug s SER 144 CO 0.11 -0.03 1.86 0.59 0.41 0.00 0.00 173.24 176.17 1rug n ASN 145 N 3.46 2.63 -4.83 2.44 3.02 -1.26 -4.95 115.26 115.77 1rug n ASN 145 Ca -0.04 0.94 -0.37 0.00 -0.03 0.00 0.00 54.58 55.08 1rug n ASN 145 Cb 0.51 -1.22 -0.06 0.00 -0.61 0.00 0.00 39.78 38.40 1rug n ASN 145 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rug s LEU 146 N 4.35 4.45 -0.19 3.41 1.43 -1.26 -4.97 118.68 125.90 1rug s LEU 146 Ca 0.99 1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1rug s LEU 146 Cb -0.94 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 42.36 1rug s LEU 146 CO 0.59 0.23 -0.15 -0.69 0.23 0.00 0.00 176.35 176.57 1rug s VAL 147 N -1.23 2.52 0.17 -1.59 1.01 -1.26 -1.11 120.40 118.91 1rug s VAL 147 Ca 0.31 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1rug s VAL 147 Cb -0.17 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 1rug s VAL 147 CO 0.18 0.50 0.58 -0.69 0.00 0.00 0.00 175.10 175.67 1rug s VAL 148 N 1.28 4.82 -0.16 2.92 1.01 0.42 0.41 120.40 131.10 1rug s VAL 148 Ca 0.04 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.89 1rug s VAL 148 Cb -0.14 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1rug s VAL 148 CO -0.08 0.18 -0.18 -1.58 0.00 0.00 0.00 175.10 173.44 1rug s GLN 149 N -2.10 2.74 -0.25 2.72 0.74 -0.43 -1.49 119.66 121.58 1rug s GLN 149 Ca 0.40 -0.74 -0.04 0.00 0.05 0.00 0.00 55.36 55.04 1rug s GLN 149 Cb -0.15 -2.35 0.01 0.00 1.10 0.00 0.00 33.01 31.62 1rug s GLN 149 CO 0.20 -0.16 -0.03 0.00 -0.55 0.00 0.00 175.29 174.74 1rug s ALA 150 N 1.22 2.81 0.03 1.58 0.00 -0.21 -2.01 121.76 125.19 1rug s ALA 150 Ca 0.02 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 50.69 1rug s ALA 150 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1rug s ALA 150 CO -0.09 -0.68 -0.16 0.00 0.00 0.00 0.00 175.76 174.83 1rug s MET 151 N 1.42 1.12 -0.17 0.00 0.00 0.35 -1.42 119.30 120.61 1rug s MET 151 Ca 0.03 -0.74 -0.26 0.00 0.00 0.00 0.00 55.69 54.72 1rug s MET 151 Cb -0.16 -1.14 -0.01 0.00 0.00 0.00 0.00 34.83 33.52 1rug s MET 151 CO -0.03 0.29 0.85 -0.47 0.00 0.00 0.00 175.02 175.66 1rug s TYR 152 N -0.70 3.41 -0.42 3.16 5.04 -1.13 -0.92 117.35 125.80 1rug s TYR 152 Ca 0.04 1.27 0.01 0.00 -2.44 0.00 0.00 57.07 55.96 1rug s TYR 152 Cb -0.07 -3.03 0.11 0.00 0.35 0.00 0.00 41.96 39.32 1rug s TYR 152 CO 0.01 -0.26 0.17 0.08 -1.34 0.00 0.00 175.55 174.20 1rug s VAL 153 N 2.23 2.75 0.83 3.14 1.01 -0.40 -4.59 120.40 125.36 1rug s VAL 153 Ca 0.39 -2.50 -0.11 0.00 0.00 0.00 0.00 61.98 59.76 1rug s VAL 153 Cb -0.16 -2.93 0.09 0.00 0.00 0.00 0.00 36.38 33.37 1rug s VAL 153 CO 0.12 -0.69 1.09 -2.16 0.00 0.00 0.00 175.10 173.47 1rug s PRO 154 N 0.67 1.83 -0.16 2.72 0.04 -1.26 -2.68 135.00 136.16 1rug s PRO 154 Ca 0.12 0.72 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 1rug s PRO 154 Cb -0.21 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1rug s PRO 154 CO -0.05 -1.82 1.93 -2.14 0.04 0.00 0.00 177.00 174.96 1rug s PRO 155 N -5.07 3.62 0.00 0.56 0.02 -1.26 -2.77 135.00 130.10 1rug s PRO 155 Ca 0.62 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1rug s PRO 155 Cb -0.16 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1rug s PRO 155 CO 0.55 -1.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.10 1rug n GLY 156 N 5.07 1.58 3.30 0.52 0.00 -1.26 -5.09 105.19 109.31 1rug n GLY 156 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1rug n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rug s ALA 157 N -2.00 1.96 -0.36 4.61 0.00 -1.11 -5.05 121.76 119.81 1rug s ALA 157 Ca 0.00 -1.24 -0.28 0.00 0.00 0.00 0.00 51.96 50.44 1rug s ALA 157 Cb 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 1rug s ALA 157 CO 0.00 0.43 2.31 -2.30 0.00 0.00 0.00 175.76 176.20 1rug n PRO 158 N 1.33 1.46 -1.88 0.00 -0.02 -1.26 -4.89 135.00 129.73 1rug n PRO 158 Ca -0.18 0.28 -0.38 0.00 -2.02 0.00 0.00 63.50 61.20 1rug n PRO 158 Cb 0.53 -3.20 0.03 0.00 -0.02 0.00 0.00 33.50 30.84 1rug n PRO 158 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1rug s ASN 159 N 9.82 5.40 0.29 2.55 -0.87 -1.26 -4.90 114.94 125.96 1rug s ASN 159 Ca 1.02 2.65 -0.18 0.00 -1.57 0.00 0.00 52.86 54.78 1rug s ASN 159 Cb -0.35 -2.63 -0.09 0.00 -0.02 0.00 0.00 41.25 38.17 1rug s ASN 159 CO 0.33 -1.47 0.77 -2.84 -2.57 0.00 0.00 177.10 171.31 1rug s PRO 160 N -2.91 4.18 -0.05 -0.60 0.02 -1.26 -4.99 135.00 129.38 1rug s PRO 160 Ca 0.71 0.85 -0.00 0.00 0.02 0.00 0.00 61.00 62.58 1rug s PRO 160 Cb -0.38 -2.64 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 1rug s PRO 160 CO 0.44 0.26 -0.05 1.63 -0.33 0.00 0.00 177.00 178.94 1rug n LYS 161 N 0.17 0.13 -3.84 5.54 5.02 -1.26 -5.04 118.16 118.88 1rug n LYS 161 Ca 0.01 0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.10 1rug n LYS 161 Cb 0.52 -1.02 -0.04 0.00 -0.02 0.00 0.00 35.03 34.47 1rug n LYS 161 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1rug s GLU 162 N -2.11 2.36 0.00 1.97 2.02 -1.26 -4.40 118.70 117.28 1rug s GLU 162 Ca -0.07 -1.77 0.26 0.00 0.02 0.00 0.00 54.97 53.41 1rug s GLU 162 Cb 0.02 -2.17 1.40 0.00 0.10 0.00 0.00 34.13 33.48 1rug s GLU 162 CO 0.12 -0.28 1.90 -2.67 0.02 0.00 0.00 175.26 174.34 1rug n TRP 163 N -1.50 0.00 -2.45 1.61 4.27 -1.26 -3.57 117.44 114.53 1rug n TRP 163 Ca 0.01 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.65 1rug n TRP 163 Cb 0.63 -0.19 0.04 0.00 -1.36 0.00 0.00 31.31 30.43 1rug n TRP 163 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 1rug n ASP 164 N -1.19 1.22 -4.15 -0.67 2.03 -1.26 -4.96 116.55 107.57 1rug n ASP 164 Ca 0.15 -2.22 -0.35 0.00 0.52 0.00 0.00 54.79 52.88 1rug n ASP 164 Cb 0.17 -0.35 0.10 0.00 -0.72 0.00 0.00 41.12 40.32 1rug n ASP 164 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1rug n ASP 165 N 0.17 -2.86 0.18 1.67 9.92 -1.23 -4.90 116.55 119.49 1rug n ASP 165 Ca 0.08 -0.03 0.03 0.00 -0.53 0.00 0.00 54.79 54.34 1rug n ASP 165 Cb 1.05 -0.76 0.33 0.00 -0.64 0.00 0.00 41.12 41.10 1rug n ASP 165 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1rug h TYR 166 N -1.52 0.00 -1.00 1.24 -0.00 -1.99 -2.75 116.97 110.95 1rug h TYR 166 Ca -0.46 0.00 0.29 0.00 0.00 0.00 0.00 58.73 58.56 1rug h TYR 166 Cb 1.37 0.00 -0.14 0.00 0.00 0.00 0.00 36.73 37.96 1rug h TYR 166 CO 0.10 0.42 0.57 1.79 -0.00 0.00 0.00 178.16 181.05 1rug h THR 167 N 0.00 0.39 0.00 -0.90 1.35 -1.91 0.20 112.91 112.04 1rug h THR 167 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1rug h THR 167 Cb 0.82 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1rug h THR 167 CO 0.05 0.08 0.00 0.79 -0.25 0.00 0.00 175.52 176.19 1rug n TRP 168 N -4.99 0.00 -0.22 4.73 7.02 -1.04 -1.34 117.44 121.60 1rug n TRP 168 Ca 0.30 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.77 1rug n TRP 168 Cb 0.88 -0.45 0.23 0.00 -2.42 0.00 0.00 31.31 29.55 1rug n TRP 168 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1rug h GLN 169 N 0.00 1.00 -6.58 -0.99 4.20 -0.79 -3.46 115.11 108.48 1rug h GLN 169 Ca 0.00 -0.08 -0.52 0.00 0.06 0.00 0.00 58.65 58.12 1rug h GLN 169 Cb 0.19 -0.21 0.02 0.00 0.30 0.00 0.00 27.48 27.78 1rug h GLN 169 CO 0.00 0.69 -0.97 0.45 -0.67 0.00 0.00 178.83 178.33 1rug n SER 170 N -4.40 -4.26 0.17 1.46 2.88 -0.45 -4.84 113.62 104.18 1rug n SER 170 Ca 0.08 -1.15 0.06 0.00 -1.33 0.00 0.00 58.87 56.52 1rug n SER 170 Cb 0.06 -2.56 0.16 0.00 -0.75 0.00 0.00 64.21 61.12 1rug n SER 170 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rug h ALA 171 N 1.18 0.81 0.00 -1.46 0.00 -1.90 -3.30 119.26 114.59 1rug h ALA 171 Ca -0.68 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1rug h ALA 171 Cb 1.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rug h ALA 171 CO 0.51 0.46 0.00 0.43 0.00 0.00 0.00 179.25 180.66 1rug n SER 172 N -3.27 0.79 -4.34 0.00 7.64 -1.26 -5.03 113.62 108.15 1rug n SER 172 Ca 0.02 -0.90 -0.33 0.00 1.01 0.00 0.00 58.87 58.66 1rug n SER 172 Cb 0.63 0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.89 1rug n SER 172 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1rug s ASN 173 N -0.20 4.04 0.16 6.43 2.47 -1.24 -5.06 114.94 121.53 1rug s ASN 173 Ca 0.00 -0.36 -0.32 0.00 0.42 0.00 0.00 52.86 52.60 1rug s ASN 173 Cb 0.00 -1.64 -0.11 0.00 -1.45 0.00 0.00 41.25 38.05 1rug s ASN 173 CO 0.00 0.10 1.70 -2.16 -3.72 0.00 0.00 177.10 173.03 1rug s PRO 174 N 0.72 4.16 0.04 0.43 0.04 -1.26 -4.83 135.00 134.29 1rug s PRO 174 Ca -0.05 2.52 0.02 0.00 0.04 0.00 0.00 61.00 63.53 1rug s PRO 174 Cb -0.15 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1rug s PRO 174 CO 0.02 -0.74 -0.08 -1.54 0.04 0.00 0.00 177.00 174.70 1rug s SER 175 N 1.67 0.90 -0.06 6.66 1.04 -1.26 -2.84 113.70 119.80 1rug s SER 175 Ca 0.75 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 56.66 1rug s SER 175 Cb -0.46 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.67 1rug s SER 175 CO 0.33 -0.20 -0.18 -0.69 0.98 0.00 0.00 173.24 173.48 1rug s VAL 176 N -1.40 2.74 -0.22 5.02 1.01 -0.50 -4.98 120.40 122.07 1rug s VAL 176 Ca -0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1rug s VAL 176 Cb -0.10 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1rug s VAL 176 CO 0.00 0.57 -0.04 -0.36 0.00 0.00 0.00 175.10 175.27 1rug s PHE 177 N -0.38 2.96 0.28 5.22 0.40 -1.26 -1.04 117.98 124.16 1rug s PHE 177 Ca 0.04 -0.90 0.02 0.00 -0.60 0.00 0.00 56.93 55.49 1rug s PHE 177 Cb -0.12 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1rug s PHE 177 CO 0.02 -0.52 0.13 -0.59 0.70 0.00 0.00 175.22 174.96 1rug s PHE 178 N 1.42 1.55 0.04 0.36 -0.71 -0.56 -4.97 117.98 115.11 1rug s PHE 178 Ca 0.05 -1.28 -0.09 0.00 -1.04 0.00 0.00 56.93 54.57 1rug s PHE 178 Cb -0.14 -0.86 -0.05 0.00 -1.21 0.00 0.00 43.02 40.75 1rug s PHE 178 CO -0.03 -0.44 0.35 0.15 -1.34 0.00 0.00 175.22 173.91 1rug s LYS 179 N -3.94 3.71 0.26 1.99 1.02 -1.26 -0.44 119.74 121.08 1rug s LYS 179 Ca 0.37 0.10 -0.30 0.00 0.02 0.00 0.00 55.97 56.16 1rug s LYS 179 Cb 0.06 -3.05 -0.13 0.00 -0.52 0.00 0.00 37.83 34.19 1rug s LYS 179 CO 0.15 0.61 1.35 0.28 -0.92 0.00 0.00 175.35 176.82 1rug n VAL 180 N 1.08 1.21 0.00 3.17 0.31 -0.27 -0.81 118.33 123.02 1rug n VAL 180 Ca -0.10 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1rug n VAL 180 Cb 0.53 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 1rug n VAL 180 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rug n GLY 181 N 1.83 2.90 2.75 2.92 0.00 0.85 -4.91 105.19 111.53 1rug n GLY 181 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1rug n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rug n ASP 182 N 0.00 1.08 -4.22 1.61 8.00 0.01 -4.88 116.55 118.16 1rug n ASP 182 Ca 0.00 -1.87 -0.23 0.00 0.71 0.00 0.00 54.79 53.40 1rug n ASP 182 Cb 0.00 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.55 1rug n ASP 182 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1rug s THR 183 N -1.98 1.44 0.11 -3.53 -1.32 -1.26 -3.22 115.64 105.88 1rug s THR 183 Ca 0.46 -1.23 0.10 0.00 -1.21 0.00 0.00 61.69 59.81 1rug s THR 183 Cb -0.03 -1.29 -0.04 0.00 -1.51 0.00 0.00 72.50 69.63 1rug s THR 183 CO 0.30 0.03 -0.25 -0.55 -2.21 0.00 0.00 174.62 171.95 1rug s SER 184 N -1.39 3.05 -0.14 8.08 0.15 -0.45 -4.91 113.70 118.08 1rug s SER 184 Ca 0.04 -0.72 -0.08 0.00 0.70 0.00 0.00 55.95 55.90 1rug s SER 184 Cb -0.09 -0.20 0.05 0.00 -1.71 0.00 0.00 66.02 64.08 1rug s SER 184 CO 0.02 0.15 0.35 -0.60 1.20 0.00 0.00 173.24 174.36 1rug s ARG 185 N -1.95 0.32 0.39 5.44 6.06 -1.26 -0.58 118.95 127.37 1rug s ARG 185 Ca 0.11 0.69 -0.12 0.00 -2.50 0.00 0.00 55.73 53.91 1rug s ARG 185 Cb -0.10 -0.06 0.05 0.00 0.06 0.00 0.00 34.95 34.90 1rug s ARG 185 CO 0.05 -0.16 0.72 1.97 -2.50 0.00 0.00 175.30 175.38 1rug n PHE 186 N 4.24 -2.16 -3.90 5.12 -1.74 -1.08 -5.03 117.46 112.91 1rug n PHE 186 Ca -0.24 -2.00 -0.11 0.00 -0.56 0.00 0.00 57.45 54.54 1rug n PHE 186 Cb 0.54 0.84 -0.12 0.00 1.52 0.00 0.00 39.48 42.26 1rug n PHE 186 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1rug s SER 187 N -3.11 0.06 -0.04 5.98 1.04 -1.26 -1.75 113.70 114.62 1rug s SER 187 Ca 0.19 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.52 1rug s SER 187 Cb -0.04 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1rug s SER 187 CO 0.14 -0.15 -0.19 0.68 0.98 0.00 0.00 173.24 174.69 1rug s VAL 188 N -0.65 1.59 1.15 5.02 -7.23 0.71 -4.98 120.40 116.00 1rug s VAL 188 Ca -0.07 -0.82 -0.13 0.00 -1.81 0.00 0.00 61.98 59.15 1rug s VAL 188 Cb -0.04 -1.35 0.27 0.00 0.56 0.00 0.00 36.38 35.81 1rug s VAL 188 CO -0.00 0.45 1.04 -2.16 -0.31 0.00 0.00 175.10 174.12 1rug s PRO 189 N -0.10 -0.79 -0.41 4.82 0.04 -1.26 -1.40 135.00 135.90 1rug s PRO 189 Ca -0.02 0.85 -0.27 0.00 0.04 0.00 0.00 61.00 61.60 1rug s PRO 189 Cb -0.11 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.83 1rug s PRO 189 CO 0.02 -3.64 2.00 -0.47 0.04 0.00 0.00 177.00 174.95 1rug s TYR 190 N -2.50 1.53 -1.72 0.56 5.04 -1.25 -4.65 117.35 114.35 1rug s TYR 190 Ca 0.68 0.82 0.09 0.00 -2.44 0.00 0.00 57.07 56.22 1rug s TYR 190 Cb -0.25 -3.98 0.29 0.00 0.35 0.00 0.00 41.96 38.37 1rug s TYR 190 CO 0.64 -2.92 1.19 1.33 -1.34 0.00 0.00 175.55 174.44 1rug n VAL 191 N 7.53 0.57 -1.67 3.14 0.24 -1.26 -4.98 118.33 121.91 1rug n VAL 191 Ca 0.26 -0.45 -0.36 0.00 -2.04 0.00 0.00 64.34 61.75 1rug n VAL 191 Cb 0.49 0.08 0.07 0.00 -1.47 0.00 0.00 33.84 33.01 1rug n VAL 191 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rug s GLY 192 N -0.86 2.67 0.10 7.63 0.00 -1.26 -4.95 107.32 110.66 1rug s GLY 192 Ca 0.21 1.08 -0.03 0.00 0.00 0.00 0.00 44.72 45.98 1rug s GLY 192 CO 0.13 1.50 1.23 1.41 0.00 0.00 0.00 173.10 177.36 1rug h LEU 193 N 0.30 0.43 0.00 0.66 3.38 -1.94 -3.47 115.31 114.67 1rug h LEU 193 Ca -0.50 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1rug h LEU 193 Cb 1.32 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1rug h LEU 193 CO 0.52 1.26 0.00 0.00 0.09 0.00 0.00 178.44 180.32 1rug n ALA 194 N -2.52 0.00 0.10 1.53 0.00 -1.26 -5.00 120.51 113.36 1rug n ALA 194 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.46 1rug n ALA 194 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1rug n ALA 194 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1rug h SER 195 N 0.00 0.00 -5.32 0.00 0.02 -1.99 -3.47 113.55 102.79 1rug h SER 195 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1rug h SER 195 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 1rug h SER 195 CO 0.00 0.11 -0.40 0.00 -1.14 0.00 0.00 176.83 175.40 1rug s ALA 196 N -3.27 0.26 0.11 3.77 0.00 -1.26 -4.89 121.76 116.48 1rug s ALA 196 Ca -0.00 -1.08 -0.23 0.00 0.00 0.00 0.00 51.96 50.65 1rug s ALA 196 Cb 0.09 0.93 -0.07 0.00 0.00 0.00 0.00 23.12 24.07 1rug s ALA 196 CO 0.78 -0.63 0.71 0.71 0.00 0.00 0.00 175.76 177.33 1rug s TYR 197 N -4.01 3.84 -0.19 0.00 2.02 0.74 -4.86 117.35 114.90 1rug s TYR 197 Ca 0.21 1.49 -0.25 0.00 -0.37 0.00 0.00 57.07 58.15 1rug s TYR 197 Cb 0.04 -2.69 -0.01 0.00 -0.40 0.00 0.00 41.96 38.90 1rug s TYR 197 CO 0.02 0.49 0.83 -0.80 -1.57 0.00 0.00 175.55 174.52 1rug s ASN 198 N -0.92 6.91 0.47 2.29 0.02 -1.26 -1.79 114.94 120.66 1rug s ASN 198 Ca 0.34 1.12 0.27 0.00 -1.02 0.00 0.00 52.86 53.57 1rug s ASN 198 Cb -0.21 -2.45 0.93 0.00 0.02 0.00 0.00 41.25 39.54 1rug s ASN 198 CO 0.23 -0.43 1.82 0.00 0.02 0.00 0.00 177.10 178.74 1rug s PHE 200 N -3.54 0.15 -0.26 0.00 0.40 -1.23 -5.03 117.98 108.47 1rug s PHE 200 Ca 0.02 -0.45 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1rug s PHE 200 Cb 0.09 -0.10 0.15 0.00 0.51 0.00 0.00 43.02 43.66 1rug s PHE 200 CO 0.62 -0.41 0.43 -0.47 0.70 0.00 0.00 175.22 176.09 1rug s TYR 201 N -2.75 -1.02 -1.15 0.36 5.04 -1.26 -4.98 117.35 111.58 1rug s TYR 201 Ca -0.04 1.02 -0.07 0.00 -2.44 0.00 0.00 57.07 55.54 1rug s TYR 201 Cb -0.00 0.14 0.25 0.00 0.35 0.00 0.00 41.96 42.70 1rug s TYR 201 CO -0.05 -0.77 1.53 -3.47 -1.34 0.00 0.00 175.55 171.45 1rug n ASP 202 N 5.38 5.82 -1.52 4.32 2.03 -1.26 -4.31 116.55 127.01 1rug n ASP 202 Ca -0.03 -3.23 -0.03 0.00 0.52 0.00 0.00 54.79 52.02 1rug n ASP 202 Cb 0.50 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1rug n ASP 202 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rug n GLY 203 N 2.18 2.22 3.49 0.27 0.00 -1.26 -5.07 105.19 107.01 1rug n GLY 203 Ca 0.30 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 1rug n GLY 203 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rug s TYR 204 N -5.96 1.94 -0.42 1.61 2.02 -1.26 -2.95 117.35 112.33 1rug s TYR 204 Ca 0.06 -1.02 0.23 0.00 -0.37 0.00 0.00 57.07 55.97 1rug s TYR 204 Cb -0.01 -1.29 0.21 0.00 -0.40 0.00 0.00 41.96 40.47 1rug s TYR 204 CO 0.04 -0.04 1.28 0.66 -1.57 0.00 0.00 175.55 175.93 1rug h SER 205 N 1.99 0.00 -5.44 2.29 4.64 -1.93 -3.47 113.55 111.63 1rug h SER 205 Ca -0.40 -0.06 0.21 0.00 -0.47 0.00 0.00 61.79 61.07 1rug h SER 205 Cb 1.25 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 1rug h SER 205 CO 0.67 0.03 0.58 -1.38 -0.87 0.00 0.00 176.83 175.86 1rug s HIS 206 N -3.26 -0.08 -1.37 4.77 -3.43 -1.26 -5.06 115.29 105.61 1rug s HIS 206 Ca 0.04 -0.20 -0.07 0.00 -0.80 0.00 0.00 55.06 54.02 1rug s HIS 206 Cb 0.10 0.63 0.10 0.00 -1.43 0.00 0.00 32.58 31.97 1rug s HIS 206 CO 0.74 -0.72 2.36 -0.25 -2.00 0.00 0.00 174.74 174.86 1rug n ASP 207 N -0.60 7.37 -4.96 7.38 8.00 -1.26 -4.91 116.55 127.57 1rug n ASP 207 Ca -0.06 -3.04 -0.22 0.00 0.71 0.00 0.00 54.79 52.18 1rug n ASP 207 Cb 0.61 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 1rug n ASP 207 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rug s ASP 208 N 0.85 5.93 0.15 -2.24 2.15 -1.26 -5.02 116.67 117.22 1rug s ASP 208 Ca 0.53 0.21 0.25 0.00 0.43 0.00 0.00 52.55 53.97 1rug s ASP 208 Cb 0.16 -1.54 0.48 0.00 -0.30 0.00 0.00 42.92 41.72 1rug s ASP 208 CO -0.07 -0.59 1.45 0.00 -0.17 0.00 0.00 175.17 175.80 1rug n ALA 209 N -1.95 2.74 -0.48 3.66 0.00 -1.26 -3.97 120.51 119.26 1rug n ALA 209 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1rug n ALA 209 Cb 0.58 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.78 1rug n ALA 209 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rug n GLU 210 N -2.16 1.84 -2.79 0.00 -0.58 -1.26 -5.06 120.64 110.64 1rug n GLU 210 Ca 0.04 -1.29 -0.36 0.00 -0.42 0.00 0.00 57.16 55.13 1rug n GLU 210 Cb 0.44 -0.88 -0.07 0.00 -0.57 0.00 0.00 31.44 30.36 1rug n GLU 210 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1rug s THR 211 N -0.85 4.25 0.69 2.62 -1.32 -1.25 -4.98 115.64 114.81 1rug s THR 211 Ca 0.03 1.74 -0.17 0.00 -1.21 0.00 0.00 61.69 62.08 1rug s THR 211 Cb 0.03 -3.90 -0.06 0.00 -1.51 0.00 0.00 72.50 67.05 1rug s THR 211 CO 0.00 0.02 0.41 0.00 -2.21 0.00 0.00 174.62 172.85 1rug n GLN 212 N 0.25 0.30 -4.73 7.08 1.13 -1.26 -4.94 117.38 115.20 1rug n GLN 212 Ca 0.03 0.13 -0.30 0.00 -1.94 0.00 0.00 57.00 54.93 1rug n GLN 212 Cb 0.51 -1.70 -0.17 0.00 0.11 0.00 0.00 30.24 28.99 1rug n GLN 212 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1rug s TYR 213 N -1.89 2.21 -3.62 1.08 5.04 -1.26 -4.42 117.35 114.49 1rug s TYR 213 Ca 0.64 -0.99 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 1rug s TYR 213 Cb -0.37 -1.53 0.00 0.00 0.35 0.00 0.00 41.96 40.40 1rug s TYR 213 CO 0.59 -0.46 0.00 0.41 -1.34 0.00 0.00 175.55 174.75 1rug n GLY 214 N 3.92 0.47 0.09 8.97 0.00 -1.15 -4.89 105.19 112.60 1rug n GLY 214 Ca -0.20 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 1rug n GLY 214 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rug n ILE 215 N 6.52 1.06 -0.42 -0.61 3.06 -1.25 -4.46 119.36 123.27 1rug n ILE 215 Ca 0.00 -0.47 0.33 0.00 -2.50 0.00 0.00 62.75 60.11 1rug n ILE 215 Cb 0.00 -1.01 0.52 0.00 0.54 0.00 0.00 39.64 39.68 1rug n ILE 215 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1rug n THR 216 N -2.91 -0.07 0.07 9.51 -2.24 -1.26 0.62 114.28 118.00 1rug n THR 216 Ca -0.31 1.11 -0.08 0.00 -2.27 0.00 0.00 64.05 62.50 1rug n THR 216 Cb 0.89 -1.83 0.03 0.00 -2.10 0.00 0.00 70.33 67.32 1rug n THR 216 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1rug h VAL 217 N 0.00 1.43 0.20 2.28 3.04 -1.94 -3.28 116.25 117.97 1rug h VAL 217 Ca 0.62 -2.31 -0.34 0.00 -1.01 0.00 0.00 66.70 63.67 1rug h VAL 217 Cb 2.31 2.24 0.02 0.00 -2.01 0.00 0.00 31.29 33.85 1rug h VAL 217 CO -0.14 0.68 -1.62 0.25 -1.01 0.00 0.00 177.57 175.73 1rug h LEU 218 N 0.18 0.67 -5.24 3.16 5.85 1.79 -3.40 115.31 118.32 1rug h LEU 218 Ca -0.03 -0.86 -0.76 0.00 0.84 0.00 0.00 57.88 57.07 1rug h LEU 218 Cb 1.35 -0.22 -0.26 0.00 0.37 0.00 0.00 40.66 41.91 1rug h LEU 218 CO 0.12 1.71 1.04 -0.24 -0.34 0.00 0.00 178.44 180.73 1rug n SER 219 N -3.62 7.43 -4.35 1.25 2.88 0.15 -4.85 113.62 112.51 1rug n SER 219 Ca -0.20 -3.74 -0.46 0.00 -1.33 0.00 0.00 58.87 53.14 1rug n SER 219 Cb 1.08 -1.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.42 1rug n SER 219 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1rug s HIS 220 N -3.87 4.02 -1.50 0.66 -3.43 -1.25 -4.79 115.29 105.13 1rug s HIS 220 Ca 0.50 -2.38 0.13 0.00 -0.80 0.00 0.00 55.06 52.51 1rug s HIS 220 Cb 0.38 -3.88 0.47 0.00 -1.43 0.00 0.00 32.58 28.12 1rug s HIS 220 CO -0.33 -1.01 1.35 -1.33 -2.00 0.00 0.00 174.74 171.41 1rug n MET 221 N 3.44 2.62 -0.47 -0.38 2.81 -1.26 -4.89 117.12 118.99 1rug n MET 221 Ca 0.21 -1.87 0.06 0.00 -1.81 0.00 0.00 57.70 54.30 1rug n MET 221 Cb 0.42 -1.59 -0.02 0.00 -0.71 0.00 0.00 33.22 31.32 1rug n MET 221 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rug n GLY 222 N 0.99 -1.79 3.61 3.03 0.00 -1.26 -4.76 105.19 105.00 1rug n GLY 222 Ca 0.17 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 1rug n GLY 222 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rug s SER 223 N -4.62 4.35 -0.08 1.61 1.04 -1.09 -1.65 113.70 113.26 1rug s SER 223 Ca 0.00 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 55.71 1rug s SER 223 Cb 0.00 -0.74 -0.03 0.00 0.10 0.00 0.00 66.02 65.35 1rug s SER 223 CO 0.00 0.02 0.01 -0.32 0.98 0.00 0.00 173.24 173.93 1rug s MET 224 N -3.56 2.98 -0.05 4.02 1.75 0.36 -1.28 119.30 123.51 1rug s MET 224 Ca 0.31 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.35 1rug s MET 224 Cb -0.06 -2.79 0.01 0.00 2.84 0.00 0.00 34.83 34.82 1rug s MET 224 CO 0.19 0.70 -0.11 0.00 -0.65 0.00 0.00 175.02 175.14 1rug s ALA 225 N -0.92 1.14 0.12 4.11 0.00 -0.10 0.62 121.76 126.73 1rug s ALA 225 Ca 0.14 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.79 1rug s ALA 225 Cb -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1rug s ALA 225 CO 0.03 0.13 -0.14 -0.06 0.00 0.00 0.00 175.76 175.73 1rug s PHE 226 N 0.48 2.63 0.21 0.00 0.40 -0.38 0.13 117.98 121.45 1rug s PHE 226 Ca -0.10 -0.22 -0.19 0.00 -0.60 0.00 0.00 56.93 55.82 1rug s PHE 226 Cb -0.13 -1.37 0.03 0.00 0.51 0.00 0.00 43.02 42.06 1rug s PHE 226 CO 0.02 0.42 0.58 -0.98 0.70 0.00 0.00 175.22 175.96 1rug s ARG 227 N -2.25 1.45 0.00 0.44 1.70 -0.85 -1.82 118.95 117.61 1rug s ARG 227 Ca 0.20 -0.82 -0.11 0.00 -0.47 0.00 0.00 55.73 54.53 1rug s ARG 227 Cb -0.11 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.77 1rug s ARG 227 CO 0.12 -0.63 0.34 0.42 -1.08 0.00 0.00 175.30 174.48 1rug s ILE 228 N -3.86 5.16 -0.05 4.99 1.01 -1.26 -1.31 121.20 125.87 1rug s ILE 228 Ca 0.08 0.54 0.13 0.00 0.00 0.00 0.00 60.65 61.41 1rug s ILE 228 Cb -0.02 -3.62 -0.16 0.00 0.01 0.00 0.00 42.46 38.66 1rug s ILE 228 CO -0.03 0.48 0.91 0.58 0.00 0.00 0.00 174.94 176.88 1rug h VAL 229 N 3.42 0.88 -4.03 2.92 2.07 -0.39 -3.47 116.25 117.65 1rug h VAL 229 Ca -0.51 -2.54 -0.54 0.00 0.82 0.00 0.00 66.70 63.93 1rug h VAL 229 Cb 1.21 2.36 0.12 0.00 -1.52 0.00 0.00 31.29 33.47 1rug h VAL 229 CO 0.63 0.50 0.60 0.20 0.02 0.00 0.00 177.57 179.52 1rug s ASN 230 N -6.13 5.47 1.10 0.57 -0.87 -1.26 -5.03 114.94 108.78 1rug s ASN 230 Ca -0.02 2.72 -0.18 0.00 -1.57 0.00 0.00 52.86 53.80 1rug s ASN 230 Cb 0.08 -2.63 0.26 0.00 -0.02 0.00 0.00 41.25 38.94 1rug s ASN 230 CO 0.81 -1.43 1.25 -1.61 -2.57 0.00 0.00 177.10 173.55 1rug s GLU 231 N -2.82 -0.44 0.22 -0.60 0.41 -1.26 -4.96 118.70 109.24 1rug s GLU 231 Ca 0.69 -0.36 -0.19 0.00 -0.41 0.00 0.00 54.97 54.70 1rug s GLU 231 Cb -0.39 -1.71 -0.08 0.00 -1.78 0.00 0.00 34.13 30.16 1rug s GLU 231 CO 0.47 -3.14 0.71 -3.38 -0.49 0.00 0.00 175.26 169.43 1rug s HIS 232 N -3.54 3.64 0.37 1.61 -3.43 -1.26 -4.95 115.29 107.73 1rug s HIS 232 Ca 0.74 1.37 0.01 0.00 -0.80 0.00 0.00 55.06 56.38 1rug s HIS 232 Cb -0.05 -2.60 0.07 0.00 -1.43 0.00 0.00 32.58 28.57 1rug s HIS 232 CO 0.55 0.34 0.50 -0.25 -2.00 0.00 0.00 174.74 173.88 1rug n ASP 233 N 0.71 0.82 -0.10 7.38 8.00 -1.26 -4.99 116.55 127.11 1rug n ASP 233 Ca -0.02 -1.66 -0.11 0.00 0.71 0.00 0.00 54.79 53.71 1rug n ASP 233 Cb 0.51 -0.31 0.02 0.00 -0.02 0.00 0.00 41.12 41.31 1rug n ASP 233 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1rug h GLU 234 N 0.00 0.85 0.00 -1.24 4.81 -1.98 -3.45 114.58 113.58 1rug h GLU 234 Ca -0.17 -0.43 -0.31 0.00 -0.13 0.00 0.00 59.36 58.32 1rug h GLU 234 Cb 0.65 0.01 0.05 0.00 0.63 0.00 0.00 28.75 30.09 1rug h GLU 234 CO 0.19 1.07 0.06 -2.39 -0.73 0.00 0.00 179.01 177.22 1rug n HIS 235 N -4.06 -3.03 -4.10 0.92 1.44 -1.26 -5.03 115.22 100.10 1rug n HIS 235 Ca -0.02 -1.18 -0.29 0.00 -2.01 0.00 0.00 57.72 54.22 1rug n HIS 235 Cb 0.53 -0.47 -0.07 0.00 0.12 0.00 0.00 29.99 30.10 1rug n HIS 235 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1rug s LYS 236 N -4.12 2.68 -0.05 -1.40 2.20 -1.26 -4.86 119.74 112.92 1rug s LYS 236 Ca 0.43 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1rug s LYS 236 Cb -0.03 -2.59 0.02 0.00 -1.51 0.00 0.00 37.83 33.73 1rug s LYS 236 CO 0.29 0.53 -0.03 0.99 -0.36 0.00 0.00 175.35 176.77 1rug s THR 237 N -1.44 0.45 -0.17 3.43 2.01 -1.00 -4.76 115.64 114.16 1rug s THR 237 Ca 0.28 -0.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.09 1rug s THR 237 Cb -0.11 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1rug s THR 237 CO 0.20 0.22 0.33 -0.76 -0.69 0.00 0.00 174.62 173.92 1rug s LEU 238 N 1.13 4.22 -0.11 4.42 1.02 0.93 -1.35 118.68 128.93 1rug s LEU 238 Ca -0.08 0.52 0.03 0.00 0.02 0.00 0.00 54.13 54.62 1rug s LEU 238 Cb -0.14 -2.43 -0.00 0.00 0.02 0.00 0.00 46.19 43.64 1rug s LEU 238 CO -0.01 0.04 -0.21 -0.69 0.02 0.00 0.00 176.35 175.50 1rug s VAL 239 N 0.75 2.29 -0.16 -1.59 1.01 -0.26 0.14 120.40 122.58 1rug s VAL 239 Ca 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1rug s VAL 239 Cb -0.14 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 1rug s VAL 239 CO 0.06 0.55 -0.15 -0.75 0.00 0.00 0.00 175.10 174.80 1rug s LYS 240 N 0.44 3.21 -0.21 2.72 2.20 -0.60 -1.37 119.74 126.13 1rug s LYS 240 Ca -0.15 -0.75 -0.10 0.00 -0.36 0.00 0.00 55.97 54.61 1rug s LYS 240 Cb -0.17 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 1rug s LYS 240 CO 0.06 -0.00 0.13 0.42 -0.36 0.00 0.00 175.35 175.61 1rug s ILE 241 N 0.86 5.37 -0.20 5.43 1.01 -0.14 -2.44 121.20 131.09 1rug s ILE 241 Ca -0.04 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 1rug s ILE 241 Cb -0.15 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.86 1rug s ILE 241 CO -0.01 0.42 -0.13 -0.13 0.00 0.00 0.00 174.94 175.09 1rug s ARG 242 N 0.53 3.10 -0.23 2.79 0.52 0.03 -0.04 118.95 125.66 1rug s ARG 242 Ca 0.08 -0.78 -0.13 0.00 -0.52 0.00 0.00 55.73 54.38 1rug s ARG 242 Cb -0.12 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 1rug s ARG 242 CO -0.00 -0.23 0.27 0.08 0.02 0.00 0.00 175.30 175.44 1rug s VAL 243 N 1.36 5.28 -0.02 3.52 1.01 0.12 -1.22 120.40 130.44 1rug s VAL 243 Ca 0.05 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 1rug s VAL 243 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1rug s VAL 243 CO -0.08 0.28 0.03 -0.31 0.00 0.00 0.00 175.10 175.02 1rug s TYR 244 N 1.31 3.17 -0.05 5.22 1.51 0.10 -0.24 117.35 128.38 1rug s TYR 244 Ca 0.13 0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.37 1rug s TYR 244 Cb -0.14 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1rug s TYR 244 CO 0.07 0.50 -0.13 -1.58 -1.11 0.00 0.00 175.55 173.30 1rug s HIS 245 N -1.07 1.41 -0.14 2.71 2.46 0.39 -1.33 115.29 119.72 1rug s HIS 245 Ca 0.19 -0.47 0.01 0.00 0.47 0.00 0.00 55.06 55.27 1rug s HIS 245 Cb -0.12 -1.01 0.02 0.00 -0.13 0.00 0.00 32.58 31.34 1rug s HIS 245 CO 0.09 -0.22 -0.17 0.50 -2.47 0.00 0.00 174.74 172.47 1rug s ARG 246 N 0.45 2.51 0.11 2.88 3.52 -0.62 -1.51 118.95 126.29 1rug s ARG 246 Ca -0.10 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.54 1rug s ARG 246 Cb -0.14 -2.16 -0.06 0.00 -1.56 0.00 0.00 34.95 31.04 1rug s ARG 246 CO 0.03 -0.12 1.01 0.00 -0.81 0.00 0.00 175.30 175.40 1rug s ALA 247 N 1.14 3.27 0.01 6.12 0.00 -1.16 -0.41 121.76 130.73 1rug s ALA 247 Ca -0.02 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.61 1rug s ALA 247 Cb -0.14 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1rug s ALA 247 CO -0.06 -0.11 -0.10 -1.59 0.00 0.00 0.00 175.76 173.90 1rug s LYS 248 N 0.11 0.78 -0.53 0.00 -2.85 -0.18 -4.09 119.74 112.97 1rug s LYS 248 Ca 0.49 -0.45 -0.01 0.00 -1.00 0.00 0.00 55.97 55.00 1rug s LYS 248 Cb -0.25 -0.74 -0.01 0.00 -2.06 0.00 0.00 37.83 34.78 1rug s LYS 248 CO 0.31 0.20 0.45 0.72 0.10 0.00 0.00 175.35 177.12 1rug n HIS 249 N 2.55 -1.03 -2.59 1.78 8.25 -1.26 -0.42 115.22 122.49 1rug n HIS 249 Ca -0.15 0.42 -0.40 0.00 -0.26 0.00 0.00 57.72 57.34 1rug n HIS 249 Cb 0.56 -3.37 -0.05 0.00 1.12 0.00 0.00 29.99 28.25 1rug n HIS 249 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rug s VAL 250 N -3.17 3.75 -0.03 1.59 1.01 -1.26 -4.30 120.40 117.99 1rug s VAL 250 Ca 0.05 1.69 -0.01 0.00 0.00 0.00 0.00 61.98 63.71 1rug s VAL 250 Cb -0.01 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.36 1rug s VAL 250 CO 0.34 0.35 0.06 -0.70 0.00 0.00 0.00 175.10 175.14 1rug s GLU 251 N -1.52 -0.03 -0.03 2.72 2.12 0.84 -4.80 118.70 118.00 1rug s GLU 251 Ca 0.45 0.28 0.04 0.00 0.36 0.00 0.00 54.97 56.10 1rug s GLU 251 Cb -0.28 -0.32 -0.00 0.00 0.26 0.00 0.00 34.13 33.79 1rug s GLU 251 CO 0.35 -0.22 -0.13 0.00 -0.54 0.00 0.00 175.26 174.72 1rug s ALA 252 N 1.48 1.16 0.14 6.30 0.00 -1.26 -0.36 121.76 129.21 1rug s ALA 252 Ca -0.04 -0.53 0.09 0.00 0.00 0.00 0.00 51.96 51.48 1rug s ALA 252 Cb -0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1rug s ALA 252 CO -0.03 0.23 -0.21 -1.58 0.00 0.00 0.00 175.76 174.17 1rug s TRP 253 N -0.01 1.89 -0.27 0.00 0.51 -0.47 -4.99 118.94 115.60 1rug s TRP 253 Ca -0.01 -0.43 -0.02 0.00 -2.12 0.00 0.00 56.10 53.53 1rug s TRP 253 Cb -0.09 -0.99 0.00 0.00 -0.81 0.00 0.00 33.47 31.59 1rug s TRP 253 CO 0.01 0.29 0.05 -0.89 -0.51 0.00 0.00 176.95 175.90 1rug n ILE 254 N 0.71-10.39 -1.91 2.03 2.08 -1.26 -2.01 119.36 108.61 1rug n ILE 254 Ca -0.16 1.56 -0.36 0.00 0.56 0.00 0.00 62.75 64.35 1rug n ILE 254 Cb 0.55 -6.33 0.05 0.00 -0.75 0.00 0.00 39.64 33.15 1rug n ILE 254 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1rug s PRO 255 N -1.62 2.81 0.28 0.38 0.04 -1.26 -1.92 135.00 133.71 1rug s PRO 255 Ca 0.02 1.90 0.02 0.00 0.04 0.00 0.00 61.00 62.98 1rug s PRO 255 Cb -0.01 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1rug s PRO 255 CO 0.67 -1.35 0.10 -0.98 0.04 0.00 0.00 177.00 175.47 1rug s ARG 256 N -3.37 1.50 0.34 4.56 1.70 0.15 -4.89 118.95 118.94 1rug s ARG 256 Ca 0.79 -1.82 -0.29 0.00 -0.47 0.00 0.00 55.73 53.94 1rug s ARG 256 Cb -0.33 -0.38 -0.11 0.00 -0.57 0.00 0.00 34.95 33.57 1rug s ARG 256 CO 0.36 -0.30 1.43 0.00 -1.08 0.00 0.00 175.30 175.71 1rug s ALA 257 N -3.63 3.57 0.76 7.88 0.00 -1.26 -4.81 121.76 124.27 1rug s ALA 257 Ca 0.37 1.44 -0.12 0.00 0.00 0.00 0.00 51.96 53.65 1rug s ALA 257 Cb 0.08 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.68 1rug s ALA 257 CO 0.14 -0.88 1.11 -2.14 0.00 0.00 0.00 175.76 174.00 1rug s PRO 258 N -1.67 2.23 0.07 0.00 0.02 -1.26 -4.89 135.00 129.50 1rug s PRO 258 Ca 0.53 1.33 -0.31 0.00 0.02 0.00 0.00 61.00 62.57 1rug s PRO 258 Cb -0.44 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.12 1rug s PRO 258 CO 0.56 -1.69 1.62 0.50 -0.33 0.00 0.00 177.00 177.66 1rug s ARG 259 N -4.57 4.21 -0.24 5.54 3.52 -1.26 -4.94 118.95 121.20 1rug s ARG 259 Ca 0.64 2.29 -0.13 0.00 -0.13 0.00 0.00 55.73 58.41 1rug s ARG 259 Cb -0.20 -3.55 -0.10 0.00 -1.56 0.00 0.00 34.95 29.54 1rug s ARG 259 CO 0.52 -0.70 -0.32 0.00 -0.81 0.00 0.00 175.30 173.99 1rug n ALA 260 N 5.40 1.40 -2.03 6.12 0.00 -1.26 -5.01 120.51 125.13 1rug n ALA 260 Ca 0.15 -0.97 -0.26 0.00 0.00 0.00 0.00 53.44 52.37 1rug n ALA 260 Cb 0.41 0.18 0.04 0.00 0.00 0.00 0.00 19.45 20.08 1rug n ALA 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rug s LEU 261 N -7.36 3.11 0.82 0.00 1.43 -1.26 -5.03 118.68 110.39 1rug s LEU 261 Ca -0.34 0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 1rug s LEU 261 Cb 0.13 -3.34 0.08 0.00 0.03 0.00 0.00 46.19 43.09 1rug s LEU 261 CO 0.43 -1.24 1.09 -2.16 0.23 0.00 0.00 176.35 174.70 1rug s PRO 262 N -5.05 1.88 0.21 1.29 0.04 -1.26 -5.04 135.00 127.06 1rug s PRO 262 Ca 0.56 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 1rug s PRO 262 Cb -0.11 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1rug s PRO 262 CO 0.44 -1.87 0.43 0.71 0.04 0.00 0.00 177.00 176.76 1rug s TYR 263 N -2.92 3.48 0.00 0.56 2.02 -1.26 -4.40 117.35 114.82 1rug s TYR 263 Ca 0.62 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.79 1rug s TYR 263 Cb -0.17 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 1rug s TYR 263 CO 0.56 0.34 0.00 0.25 -1.57 0.00 0.00 175.55 175.13 1rug n THR 264 N -0.55 0.00 -3.93 -0.71 -2.24 -1.21 -4.90 114.28 100.74 1rug n THR 264 Ca -0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 1rug n THR 264 Cb 0.53 -0.66 -0.11 0.00 -2.10 0.00 0.00 70.33 67.99 1rug n THR 264 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rug s SER 265 N -2.57 0.14 -0.01 3.42 0.15 -1.26 -5.10 113.70 108.48 1rug s SER 265 Ca 0.00 -0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.00 1rug s SER 265 Cb 0.00 0.14 -0.06 0.00 -1.71 0.00 0.00 66.02 64.38 1rug s SER 265 CO 0.00 -0.30 1.58 -0.63 1.20 0.00 0.00 173.24 175.09 1rug s ILE 266 N -1.31 3.46 0.00 6.45 1.01 -1.26 -3.37 121.20 126.18 1rug s ILE 266 Ca -0.14 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1rug s ILE 266 Cb -0.08 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1rug s ILE 266 CO -0.00 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.52 1rug n GLY 267 N 3.96 0.84 3.38 6.18 0.00 -1.26 -4.88 105.19 113.41 1rug n GLY 267 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1rug n GLY 267 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rug s ARG 268 N -0.27 1.42 0.00 1.61 3.03 -1.22 -3.76 118.95 119.77 1rug s ARG 268 Ca 0.00 -1.58 0.28 0.00 2.03 0.00 0.00 55.73 56.46 1rug s ARG 268 Cb 0.00 -1.42 1.02 0.00 -1.03 0.00 0.00 34.95 33.52 1rug s ARG 268 CO 0.00 0.27 1.77 0.25 -1.13 0.00 0.00 175.30 176.46 1rug n THR 269 N -0.18 0.00 -1.55 4.99 -2.24 -1.26 -4.58 114.28 109.46 1rug n THR 269 Ca -0.09 -0.01 -0.47 0.00 -2.27 0.00 0.00 64.05 61.21 1rug n THR 269 Cb 0.59 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1rug n THR 269 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1rug n ASN 270 N -1.44 0.84 -4.54 3.42 3.02 -1.26 -4.97 115.26 110.32 1rug n ASN 270 Ca 0.07 1.16 -0.25 0.00 -0.03 0.00 0.00 54.58 55.53 1rug n ASN 270 Cb 0.33 -1.19 -0.09 0.00 -0.61 0.00 0.00 39.78 38.22 1rug n ASN 270 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1rug s TYR 271 N -0.66 2.53 0.46 3.10 1.13 -1.26 -3.32 117.35 119.32 1rug s TYR 271 Ca 0.67 -0.27 -0.23 0.00 -1.41 0.00 0.00 57.07 55.83 1rug s TYR 271 Cb -0.82 -1.18 -0.08 0.00 -1.10 0.00 0.00 41.96 38.78 1rug s TYR 271 CO 0.56 0.57 1.14 -1.25 -2.51 0.00 0.00 175.55 174.06 1rug s PRO 272 N -3.12 3.80 0.55 -3.49 0.04 -1.26 -4.98 135.00 126.54 1rug s PRO 272 Ca 0.27 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 1rug s PRO 272 Cb -0.07 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 1rug s PRO 272 CO 0.15 -0.50 1.04 0.15 0.04 0.00 0.00 177.00 177.89 1rug s LYS 273 N -2.72 3.54 -0.52 4.56 1.02 -1.26 -3.68 119.74 120.68 1rug s LYS 273 Ca 0.63 1.21 -0.30 0.00 0.02 0.00 0.00 55.97 57.54 1rug s LYS 273 Cb -0.27 -2.06 0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1rug s LYS 273 CO 0.32 -0.63 0.65 0.09 -0.92 0.00 0.00 175.35 174.86 1rug n ASN 274 N -1.68 -5.70 -3.65 2.83 4.13 -1.26 -5.00 115.26 104.93 1rug n ASN 274 Ca 0.09 -0.22 -0.12 0.00 1.68 0.00 0.00 54.58 56.00 1rug n ASN 274 Cb 0.53 -2.12 0.03 0.00 -1.54 0.00 0.00 39.78 36.67 1rug n ASN 274 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1rug n THR 275 N -0.63 0.00 -4.23 3.41 5.66 -1.24 -5.13 114.28 112.11 1rug n THR 275 Ca -0.10 -1.15 -0.23 0.00 -3.05 0.00 0.00 64.05 59.52 1rug n THR 275 Cb 0.66 -0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 68.81 1rug n THR 275 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1rug s GLU 276 N -3.43 2.48 0.22 1.09 2.02 -1.26 -5.06 118.70 114.76 1rug s GLU 276 Ca 0.29 -1.32 -0.32 0.00 0.02 0.00 0.00 54.97 53.64 1rug s GLU 276 Cb -0.02 -2.28 -0.13 0.00 0.10 0.00 0.00 34.13 31.80 1rug s GLU 276 CO 0.18 0.36 1.44 -2.30 0.02 0.00 0.00 175.26 174.97 1rug n PRO 277 N -0.99 2.06 0.05 0.39 -0.02 -1.26 -4.86 135.00 130.36 1rug n PRO 277 Ca -0.07 0.73 0.11 0.00 -2.02 0.00 0.00 63.50 62.26 1rug n PRO 277 Cb 0.59 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 1rug n PRO 277 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1rug n VAL 278 N 2.21 0.30 -3.19 -1.45 3.14 -1.26 -4.81 118.33 113.26 1rug n VAL 278 Ca 0.13 -0.49 -0.40 0.00 -2.96 0.00 0.00 64.34 60.62 1rug n VAL 278 Cb 0.31 -0.12 -0.07 0.00 -1.06 0.00 0.00 33.84 32.90 1rug n VAL 278 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1rug s ILE 279 N -3.41 5.05 0.03 1.55 1.01 -1.26 -5.02 121.20 119.15 1rug s ILE 279 Ca -0.03 0.99 -0.33 0.00 0.00 0.00 0.00 60.65 61.28 1rug s ILE 279 Cb 0.12 -3.87 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 1rug s ILE 279 CO 0.84 0.09 1.84 0.29 0.00 0.00 0.00 174.94 178.01 1rug n LYS 280 N 5.37 2.48 -2.46 2.79 5.02 -1.26 -4.96 118.16 125.14 1rug n LYS 280 Ca -0.03 0.90 -0.40 0.00 -2.02 0.00 0.00 58.31 56.76 1rug n LYS 280 Cb 0.50 -2.77 -0.04 0.00 -0.02 0.00 0.00 35.03 32.69 1rug n LYS 280 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1rug s LYS 281 N 3.30 4.61 0.55 1.97 2.20 -1.26 -4.98 119.74 126.14 1rug s LYS 281 Ca 0.87 1.82 -0.21 0.00 -0.36 0.00 0.00 55.97 58.08 1rug s LYS 281 Cb -0.58 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 1rug s LYS 281 CO 0.44 0.16 1.35 1.03 -0.36 0.00 0.00 175.35 177.97 1rug s ARG 282 N -1.24 3.09 -1.07 4.03 0.52 -1.26 -4.93 118.95 118.09 1rug s ARG 282 Ca 0.46 2.22 -0.10 0.00 -0.52 0.00 0.00 55.73 57.78 1rug s ARG 282 Cb -0.32 -2.22 0.26 0.00 0.52 0.00 0.00 34.95 33.18 1rug s ARG 282 CO 0.40 -1.22 1.09 0.21 0.02 0.00 0.00 175.30 175.80 1rug s LYS 283 N -2.95 4.09 0.00 3.54 2.20 -1.26 -4.88 119.74 120.49 1rug s LYS 283 Ca 0.72 -3.02 0.00 0.00 -0.36 0.00 0.00 55.97 53.32 1rug s LYS 283 Cb -0.40 -4.59 0.00 0.00 -1.51 0.00 0.00 37.83 31.33 1rug s LYS 283 CO 0.47 -1.31 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 1rug n GLY 284 N 3.08 0.94 3.40 5.54 0.00 -1.26 -5.01 105.19 111.88 1rug n GLY 284 Ca 0.23 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 1rug n GLY 284 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rug n ASP 285 N 2.66 -2.30 0.08 1.61 8.00 -1.26 -4.91 116.55 120.43 1rug n ASP 285 Ca 0.00 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1rug n ASP 285 Cb 0.00 -1.19 0.31 0.00 -0.02 0.00 0.00 41.12 40.22 1rug n ASP 285 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1rug h ILE 286 N -2.87 1.23 0.00 0.53 2.10 -2.00 -2.54 117.51 113.96 1rug h ILE 286 Ca -0.60 -1.03 0.00 0.00 1.08 0.00 0.00 64.86 64.31 1rug h ILE 286 Cb 1.34 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 38.37 1rug h ILE 286 CO 0.46 0.32 0.00 0.29 -1.08 0.00 0.00 178.15 178.14 1rug n LYS 287 N -4.19 0.15 -1.58 2.19 4.01 -1.26 -4.89 118.16 112.58 1rug n LYS 287 Ca -0.00 0.36 -0.36 0.00 -0.51 0.00 0.00 58.31 57.79 1rug n LYS 287 Cb 0.34 -1.78 0.08 0.00 -0.51 0.00 0.00 35.03 33.16 1rug n LYS 287 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1rug n SER 288 N -2.06 1.79 -0.74 4.39 7.64 -0.96 -5.21 113.62 118.46 1rug n SER 288 Ca 0.03 0.77 0.13 0.00 1.01 0.00 0.00 58.87 60.81 1rug n SER 288 Cb 0.24 -1.54 0.29 0.00 -1.01 0.00 0.00 64.21 62.19 1rug n SER 288 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81