#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3u n SER 3 N 0.00 0.00 -0.42 2.55 7.64 -1.26 -3.58 113.62 118.55 1r3u n SER 3 Ca 0.00 0.00 0.35 0.00 1.01 0.00 0.00 58.87 60.23 1r3u n SER 3 Cb 0.00 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 63.87 1r3u n SER 3 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1r3u h PRO 4 N 0.00 0.12 0.00 1.43 0.11 -2.04 0.44 132.00 132.07 1r3u h PRO 4 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1r3u h PRO 4 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1r3u h PRO 4 CO 0.00 0.08 0.00 -1.33 -0.21 0.00 0.00 178.00 176.54 1r3u n MET 5 N -4.43 0.03 0.08 1.05 2.81 -1.24 -2.10 117.12 113.33 1r3u n MET 5 Ca 0.32 0.31 -0.08 0.00 -1.81 0.00 0.00 57.70 56.45 1r3u n MET 5 Cb 1.33 -1.56 -0.07 0.00 -0.71 0.00 0.00 33.22 32.20 1r3u n MET 5 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1r3u h GLU 6 N 0.00 0.07 0.00 0.03 4.39 -0.35 -3.22 114.58 115.49 1r3u h GLU 6 Ca 0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1r3u h GLU 6 Cb 0.23 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1r3u h GLU 6 CO 0.00 0.98 0.00 -0.25 -1.16 0.00 0.00 179.01 178.58 1r3u n ASP 7 N -3.47 0.25 -4.70 1.42 10.43 -0.89 -4.80 116.55 114.78 1r3u n ASP 7 Ca -0.02 0.52 -0.42 0.00 2.57 0.00 0.00 54.79 57.44 1r3u n ASP 7 Cb 0.90 -0.59 -0.03 0.00 1.84 0.00 0.00 41.12 43.24 1r3u n ASP 7 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1r3u s ILE 8 N -3.03 4.76 -0.39 0.53 -1.09 -1.22 -2.83 121.20 117.93 1r3u s ILE 8 Ca 0.13 2.00 0.22 0.00 -2.23 0.00 0.00 60.65 60.77 1r3u s ILE 8 Cb 0.17 -4.28 -0.18 0.00 -1.58 0.00 0.00 42.46 36.59 1r3u s ILE 8 CO 0.55 0.09 0.84 1.21 -1.23 0.00 0.00 174.94 176.40 1r3u n GLU 9 N 4.42 0.44 -3.54 2.79 2.13 0.66 -4.88 120.64 122.66 1r3u n GLU 9 Ca 0.08 -0.04 -0.14 0.00 0.66 0.00 0.00 57.16 57.71 1r3u n GLU 9 Cb 0.50 -1.60 -0.05 0.00 0.27 0.00 0.00 31.44 30.55 1r3u n GLU 9 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1r3u s GLU 10 N -3.31 0.84 -0.39 5.31 2.12 -1.14 -4.94 118.70 117.18 1r3u s GLU 10 Ca -0.00 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.50 1r3u s GLU 10 Cb 0.14 0.40 0.11 0.00 0.26 0.00 0.00 34.13 35.03 1r3u s GLU 10 CO 0.84 -0.27 0.14 0.42 -0.54 0.00 0.00 175.26 175.85 1r3u s ILE 11 N -1.31 2.67 0.01 -3.70 1.01 -1.26 -0.33 121.20 118.29 1r3u s ILE 11 Ca -0.06 -2.41 -0.25 0.00 0.00 0.00 0.00 60.65 57.94 1r3u s ILE 11 Cb -0.00 -2.90 -0.19 0.00 0.01 0.00 0.00 42.46 39.38 1r3u s ILE 11 CO 0.05 -0.66 1.39 -0.07 0.00 0.00 0.00 174.94 175.65 1r3u h LEU 12 N 7.58 0.02 -7.97 2.97 3.38 -1.36 -3.43 115.31 116.50 1r3u h LEU 12 Ca -0.07 -0.36 -0.59 0.00 0.09 0.00 0.00 57.88 56.95 1r3u h LEU 12 Cb 1.01 -0.01 -0.35 0.00 0.09 0.00 0.00 40.66 41.41 1r3u h LEU 12 CO 0.60 0.37 -0.83 -0.63 0.09 0.00 0.00 178.44 178.04 1r3u s ILE 13 N -4.76 1.52 0.69 1.22 1.01 -0.96 -5.02 121.20 114.90 1r3u s ILE 13 Ca -0.15 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 1r3u s ILE 13 Cb 0.03 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1r3u s ILE 13 CO 0.67 0.45 1.08 0.42 0.00 0.00 0.00 174.94 177.56 1r3u s THR 14 N 1.14 3.78 0.13 2.92 -4.23 -1.26 -1.67 115.64 116.45 1r3u s THR 14 Ca -0.03 0.58 -0.27 0.00 -1.18 0.00 0.00 61.69 60.79 1r3u s THR 14 Cb -0.14 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1r3u s THR 14 CO -0.04 -0.76 1.60 -0.08 -0.54 0.00 0.00 174.62 174.81 1r3u h GLU 15 N -0.59 -0.42 -0.27 3.99 4.81 -1.96 0.13 114.58 120.26 1r3u h GLU 15 Ca -0.45 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.72 1r3u h GLU 15 Cb 1.24 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1r3u h GLU 15 CO 0.63 -0.28 -0.21 0.93 -0.73 0.00 0.00 179.01 179.35 1r3u h GLU 16 N -0.44 0.50 -0.65 1.92 4.39 -1.94 -1.38 114.58 116.99 1r3u h GLU 16 Ca 0.08 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1r3u h GLU 16 Cb 0.57 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1r3u h GLU 16 CO -0.34 0.68 0.36 0.37 -1.16 0.00 0.00 179.01 178.92 1r3u h GLN 17 N 0.45 0.90 -0.31 2.33 4.15 -1.77 -2.20 115.11 118.67 1r3u h GLN 17 Ca 0.07 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 1r3u h GLN 17 Cb 0.62 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1r3u h GLN 17 CO 0.04 0.67 -0.01 1.25 -1.93 0.00 0.00 178.83 178.86 1r3u h LEU 18 N 0.88 0.54 -0.60 -2.39 6.46 -0.44 -3.08 115.31 116.68 1r3u h LEU 18 Ca 0.23 -0.32 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1r3u h LEU 18 Cb 0.03 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 39.78 1r3u h LEU 18 CO -0.04 0.72 0.37 0.11 -0.62 0.00 0.00 178.44 178.99 1r3u h LYS 19 N 0.34 0.71 -0.68 1.25 1.57 -1.01 -2.23 116.57 116.52 1r3u h LYS 19 Ca 0.09 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1r3u h LYS 19 Cb 0.45 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1r3u h LYS 19 CO 0.02 0.47 0.29 0.00 -0.57 0.00 0.00 179.45 179.66 1r3u h ALA 20 N 1.26 0.87 -0.46 3.86 0.00 -1.43 -2.13 119.26 121.23 1r3u h ALA 20 Ca 0.24 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1r3u h ALA 20 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1r3u h ALA 20 CO -0.09 0.47 -0.08 -0.22 0.00 0.00 0.00 179.25 179.33 1r3u h LYS 21 N 0.95 0.86 -0.80 0.00 1.63 -1.42 0.10 116.57 117.88 1r3u h LYS 21 Ca 0.23 -0.32 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1r3u h LYS 21 Cb 0.18 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 1r3u h LYS 21 CO -0.02 0.95 0.47 0.28 -3.45 0.00 0.00 179.45 177.68 1r3u h VAL 22 N 0.70 1.22 -0.32 2.00 2.07 -1.30 0.18 116.25 120.81 1r3u h VAL 22 Ca 0.12 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 1r3u h VAL 22 Cb 0.62 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1r3u h VAL 22 CO 0.04 0.24 -0.04 0.50 0.02 0.00 0.00 177.57 178.33 1r3u h LYS 23 N 1.10 0.59 0.65 1.57 3.64 -1.12 -1.85 116.57 121.16 1r3u h LYS 23 Ca 0.29 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1r3u h LYS 23 Cb -0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1r3u h LYS 23 CO -0.05 0.75 -0.46 1.49 -2.27 0.00 0.00 179.45 178.91 1r3u h GLU 24 N 0.37 -1.03 -0.94 1.90 4.81 -0.24 -1.93 114.58 117.52 1r3u h GLU 24 Ca 0.08 0.07 0.19 0.00 -0.13 0.00 0.00 59.36 59.58 1r3u h GLU 24 Cb 0.51 0.23 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 1r3u h GLU 24 CO 0.02 -0.68 0.61 -0.07 -0.73 0.00 0.00 179.01 178.16 1r3u h LEU 25 N -1.07 0.57 -1.08 1.64 3.38 -1.02 -0.10 115.31 117.64 1r3u h LEU 25 Ca -0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1r3u h LEU 25 Cb 0.88 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1r3u h LEU 25 CO 0.05 0.23 0.46 1.23 0.09 0.00 0.00 178.44 180.49 1r3u h GLY 26 N 0.57 1.17 1.12 0.83 0.00 -0.66 -1.11 103.07 104.99 1r3u h GLY 26 Ca 0.51 -0.50 -0.18 0.00 0.00 0.00 0.00 47.33 47.16 1r3u h GLY 26 CO -0.25 0.49 -0.51 0.83 0.00 0.00 0.00 176.54 177.10 1r3u h GLU 27 N 1.10 0.86 -0.29 4.80 5.08 -0.30 -1.49 114.58 124.34 1r3u h GLU 27 Ca 0.28 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1r3u h GLU 27 Cb -0.01 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1r3u h GLU 27 CO -0.05 1.17 0.15 0.52 -1.00 0.00 0.00 179.01 179.80 1r3u h MET 28 N 0.64 0.42 -0.33 2.33 2.86 -1.15 -2.11 114.93 117.59 1r3u h MET 28 Ca 0.02 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1r3u h MET 28 Cb 1.12 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1r3u h MET 28 CO 0.12 0.38 0.13 0.82 1.06 0.00 0.00 176.91 179.42 1r3u h ILE 29 N 0.34 1.18 -0.82 -1.22 2.04 -1.21 -1.15 117.51 116.67 1r3u h ILE 29 Ca 0.10 -0.55 0.14 0.00 1.00 0.00 0.00 64.86 65.54 1r3u h ILE 29 Cb 0.10 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 1r3u h ILE 29 CO -0.01 0.19 0.41 0.74 0.00 0.00 0.00 178.15 179.48 1r3u h THR 30 N 0.38 0.74 -0.05 -0.27 2.02 -1.07 -0.67 112.91 114.00 1r3u h THR 30 Ca 0.11 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1r3u h THR 30 Cb 0.18 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1r3u h THR 30 CO -0.01 0.11 -0.26 0.08 0.37 0.00 0.00 175.52 175.82 1r3u h ARG 31 N 0.61 0.26 0.00 6.66 0.11 -1.08 -2.45 114.38 118.49 1r3u h ARG 31 Ca 0.44 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1r3u h ARG 31 Cb 0.60 0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1r3u h ARG 31 CO -0.35 0.87 0.00 -0.44 0.10 0.00 0.00 179.97 180.15 1r3u h ASP 32 N -0.28 0.00 -0.10 0.08 3.32 -0.87 -3.04 116.42 115.53 1r3u h ASP 32 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1r3u h ASP 32 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1r3u h ASP 32 CO 0.05 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.35 1r3u n TYR 33 N -2.86 0.26 -1.94 4.55 4.02 -0.29 -4.99 117.16 115.93 1r3u n TYR 33 Ca -0.01 -0.77 -0.42 0.00 -0.01 0.00 0.00 57.90 56.69 1r3u n TYR 33 Cb 0.19 -0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 1r3u n TYR 33 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1r3u s GLU 34 N -2.11 4.22 0.06 -0.72 -6.30 -0.93 -3.85 118.70 109.07 1r3u s GLU 34 Ca 0.24 2.36 0.00 0.00 -2.50 0.00 0.00 54.97 55.08 1r3u s GLU 34 Cb 0.20 -3.14 0.00 0.00 0.00 0.00 0.00 34.13 31.18 1r3u s GLU 34 CO 0.05 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.16 1r3u n GLY 35 N 3.49 -5.20 0.00 -1.50 0.00 -1.26 -5.07 105.19 95.65 1r3u n GLY 35 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1r3u n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r3u n LYS 36 N 1.48 0.00 -2.94 1.61 5.02 -1.25 -5.04 118.16 117.04 1r3u n LYS 36 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 1r3u n LYS 36 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1r3u n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1r3u s ASP 37 N 0.00 6.57 -0.09 4.39 3.68 -1.26 -4.98 116.67 124.98 1r3u s ASP 37 Ca 0.00 -1.95 -0.27 0.00 2.13 0.00 0.00 52.55 52.46 1r3u s ASP 37 Cb 0.00 -2.39 -0.02 0.00 -1.45 0.00 0.00 42.92 39.06 1r3u s ASP 37 CO 0.00 -1.08 0.87 -0.22 0.13 0.00 0.00 175.17 174.87 1r3u s LEU 38 N 2.70 4.27 -0.11 -1.34 2.96 -1.26 0.66 118.68 126.57 1r3u s LEU 38 Ca 0.30 1.37 0.00 0.00 -0.22 0.00 0.00 54.13 55.58 1r3u s LEU 38 Cb -0.07 -3.35 0.02 0.00 0.50 0.00 0.00 46.19 43.29 1r3u s LEU 38 CO -0.07 -0.31 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.86 1r3u s VAL 39 N 1.54 1.13 -0.25 1.68 1.01 0.89 -2.03 120.40 124.37 1r3u s VAL 39 Ca 0.43 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1r3u s VAL 39 Cb -0.18 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1r3u s VAL 39 CO 0.19 0.38 0.26 -0.76 0.00 0.00 0.00 175.10 175.16 1r3u s LEU 40 N 1.45 4.09 -0.16 3.92 1.43 0.91 -0.94 118.68 129.38 1r3u s LEU 40 Ca 0.01 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1r3u s LEU 40 Cb -0.13 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1r3u s LEU 40 CO -0.06 -0.04 -0.16 -0.63 0.23 0.00 0.00 176.35 175.69 1r3u s ILE 41 N 1.47 2.57 0.19 -0.59 1.01 -0.43 -1.03 121.20 124.39 1r3u s ILE 41 Ca 0.11 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 60.08 1r3u s ILE 41 Cb -0.15 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1r3u s ILE 41 CO 0.08 0.52 -0.24 -0.83 0.00 0.00 0.00 174.94 174.47 1r3u s GLY 42 N 0.91 1.72 -0.28 6.18 0.00 -0.99 -0.27 107.32 114.59 1r3u s GLY 42 Ca -0.04 -1.64 -0.12 0.00 0.00 0.00 0.00 44.72 42.92 1r3u s GLY 42 CO -0.02 -1.67 0.23 0.14 0.00 0.00 0.00 173.10 171.78 1r3u s VAL 43 N -1.69 5.28 0.59 1.40 1.01 -1.24 -1.60 120.40 124.14 1r3u s VAL 43 Ca 0.21 0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 1r3u s VAL 43 Cb -0.08 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1r3u s VAL 43 CO 0.10 0.23 1.22 -0.76 0.00 0.00 0.00 175.10 175.88 1r3u s LEU 44 N 1.83 3.69 -0.13 3.92 1.43 -0.35 -2.80 118.68 126.26 1r3u s LEU 44 Ca 0.09 2.41 0.19 0.00 -1.03 0.00 0.00 54.13 55.79 1r3u s LEU 44 Cb -0.16 -4.57 -0.27 0.00 0.03 0.00 0.00 46.19 41.22 1r3u s LEU 44 CO 0.11 -1.57 0.21 0.29 0.23 0.00 0.00 176.35 175.62 1r3u n LYS 45 N -1.52 0.74 -0.37 1.70 5.02 -1.26 -4.73 118.16 117.73 1r3u n LYS 45 Ca 0.13 -0.08 0.32 0.00 -2.02 0.00 0.00 58.31 56.67 1r3u n LYS 45 Cb 0.49 -1.50 0.55 0.00 -0.02 0.00 0.00 35.03 34.54 1r3u n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r3u n GLY 46 N 1.61 -0.68 0.29 0.72 0.00 -1.25 -1.21 105.19 104.67 1r3u n GLY 46 Ca -0.22 0.63 0.15 0.00 0.00 0.00 0.00 46.02 46.58 1r3u n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3u n ALA 47 N -2.52 2.65 -0.25 4.61 0.00 -1.12 -4.30 120.51 119.58 1r3u n ALA 47 Ca 0.33 -0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1r3u n ALA 47 Cb 1.26 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 19.47 1r3u n ALA 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1r3u h ILE 48 N 1.41 1.19 -0.31 0.00 3.07 -1.44 0.29 117.51 121.72 1r3u h ILE 48 Ca 0.00 -0.36 -0.01 0.00 1.55 0.00 0.00 64.86 66.04 1r3u h ILE 48 Cb 0.33 0.17 -0.01 0.00 -0.27 0.00 0.00 36.82 37.04 1r3u h ILE 48 CO 0.00 0.18 0.15 -0.03 -1.05 0.00 0.00 178.15 177.40 1r3u h MET 49 N 0.95 0.44 -0.28 0.16 4.05 -1.81 -1.36 114.93 117.08 1r3u h MET 49 Ca 0.26 -0.07 -0.18 0.00 -0.28 0.00 0.00 59.70 59.43 1r3u h MET 49 Cb -0.09 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.63 1r3u h MET 49 CO -0.05 0.42 -0.54 0.35 0.23 0.00 0.00 176.91 177.32 1r3u h PHE 50 N 0.36 1.04 -0.15 1.39 3.57 -1.76 -2.98 116.94 118.42 1r3u h PHE 50 Ca 0.11 -0.37 0.02 0.00 3.53 0.00 0.00 57.97 61.26 1r3u h PHE 50 Cb 0.12 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1r3u h PHE 50 CO -0.02 1.18 0.03 0.52 -2.23 0.00 0.00 178.31 177.80 1r3u h MET 51 N 0.64 0.09 -0.26 1.11 2.86 -0.84 -0.54 114.93 117.99 1r3u h MET 51 Ca 0.02 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1r3u h MET 51 Cb 1.14 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1r3u h MET 51 CO 0.12 0.06 0.07 1.03 1.06 0.00 0.00 176.91 179.25 1r3u h SER 52 N 0.09 0.06 -0.25 1.22 0.87 -1.28 -1.51 113.55 112.75 1r3u h SER 52 Ca 0.06 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 1r3u h SER 52 Cb 0.05 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1r3u h SER 52 CO -0.08 0.07 -0.39 1.23 -0.53 0.00 0.00 176.83 177.13 1r3u h GLY 53 N 0.18 0.78 0.84 5.77 0.00 -1.41 -3.16 103.07 106.06 1r3u h GLY 53 Ca 0.11 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1r3u h GLY 53 CO -0.13 0.78 0.04 -2.00 0.00 0.00 0.00 176.54 175.23 1r3u h LEU 54 N 0.44 0.21 -1.76 3.11 5.85 -1.03 -2.55 115.31 119.58 1r3u h LEU 54 Ca 0.02 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1r3u h LEU 54 Cb 0.98 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1r3u h LEU 54 CO 0.09 0.38 0.07 0.77 -0.34 0.00 0.00 178.44 179.40 1r3u h SER 55 N 0.04 0.19 1.36 1.25 4.64 -1.37 -0.31 113.55 119.35 1r3u h SER 55 Ca 0.05 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1r3u h SER 55 Cb 0.24 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1r3u h SER 55 CO -0.00 0.18 -0.17 0.03 -0.87 0.00 0.00 176.83 175.99 1r3u h ARG 56 N 0.22 0.00 -0.47 4.77 3.08 -1.48 -2.84 114.38 117.66 1r3u h ARG 56 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1r3u h ARG 56 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1r3u h ARG 56 CO -0.01 0.17 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 1r3u n ALA 57 N -2.16 2.44 -3.98 0.04 0.00 -0.16 -4.70 120.51 111.98 1r3u n ALA 57 Ca 0.02 -0.82 -0.32 0.00 0.00 0.00 0.00 53.44 52.31 1r3u n ALA 57 Cb 0.50 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 1r3u n ALA 57 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r3u s ILE 58 N -1.38 2.43 -1.44 0.00 1.01 -0.98 -3.89 121.20 116.94 1r3u s ILE 58 Ca 0.31 -2.19 -0.13 0.00 0.00 0.00 0.00 60.65 58.64 1r3u s ILE 58 Cb 0.16 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1r3u s ILE 58 CO 0.21 -0.53 2.43 -0.67 0.00 0.00 0.00 174.94 176.38 1r3u n ASP 59 N 4.33 5.30 -3.94 3.58 4.64 -1.26 -4.83 116.55 124.36 1r3u n ASP 59 Ca 0.00 -2.73 -0.09 0.00 -1.38 0.00 0.00 54.79 50.60 1r3u n ASP 59 Cb 0.42 -1.57 -0.09 0.00 -1.04 0.00 0.00 41.12 38.84 1r3u n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1r3u s LEU 60 N 1.44 1.86 -0.95 -2.67 2.96 -1.26 -5.03 118.68 115.03 1r3u s LEU 60 Ca 0.54 -0.65 -0.23 0.00 -0.22 0.00 0.00 54.13 53.57 1r3u s LEU 60 Cb 0.15 0.61 0.05 0.00 0.50 0.00 0.00 46.19 47.51 1r3u s LEU 60 CO -0.06 -0.57 1.38 -2.84 -1.32 0.00 0.00 176.35 172.93 1r3u s PRO 61 N -3.14 3.51 0.31 0.98 0.02 -1.26 -4.97 135.00 130.44 1r3u s PRO 61 Ca -0.00 -1.02 0.10 0.00 0.02 0.00 0.00 61.00 60.09 1r3u s PRO 61 Cb 0.02 -5.08 -0.05 0.00 0.02 0.00 0.00 34.50 29.41 1r3u s PRO 61 CO -0.07 -2.15 -0.02 -0.48 -0.33 0.00 0.00 177.00 173.95 1r3u s LEU 62 N 4.86 2.99 0.11 -5.54 0.05 -1.26 -4.57 118.68 115.32 1r3u s LEU 62 Ca 0.42 -0.88 0.09 0.00 0.05 0.00 0.00 54.13 53.81 1r3u s LEU 62 Cb -0.02 -1.44 -0.04 0.00 -2.05 0.00 0.00 46.19 42.64 1r3u s LEU 62 CO -0.05 -0.12 -0.17 -0.44 -0.55 0.00 0.00 176.35 175.02 1r3u s SER 63 N -3.67 3.93 0.03 1.48 0.01 -0.86 -5.03 113.70 109.58 1r3u s SER 63 Ca 0.33 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 57.14 1r3u s SER 63 Cb -0.03 -0.58 -0.02 0.00 0.21 0.00 0.00 66.02 65.60 1r3u s SER 63 CO 0.19 0.19 -0.22 -0.63 0.41 0.00 0.00 173.24 173.18 1r3u s ILE 64 N -1.12 1.73 0.16 1.44 1.01 -1.26 -0.06 121.20 123.10 1r3u s ILE 64 Ca 0.18 -1.14 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 1r3u s ILE 64 Cb -0.11 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 40.90 1r3u s ILE 64 CO 0.10 0.30 0.44 -0.62 0.00 0.00 0.00 174.94 175.17 1r3u s ASP 65 N -0.99 -0.21 0.26 3.58 -1.08 -0.20 -4.94 116.67 113.08 1r3u s ASP 65 Ca 0.08 -0.47 0.04 0.00 -0.52 0.00 0.00 52.55 51.69 1r3u s ASP 65 Cb -0.09 0.52 -0.05 0.00 -1.46 0.00 0.00 42.92 41.84 1r3u s ASP 65 CO 0.01 -0.95 -0.01 -0.36 0.52 0.00 0.00 175.17 174.38 1r3u s PHE 66 N -3.86 1.71 -0.02 -5.34 0.40 -1.26 -2.33 117.98 107.27 1r3u s PHE 66 Ca 0.08 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 55.54 1r3u s PHE 66 Cb 0.01 -1.01 0.01 0.00 0.51 0.00 0.00 43.02 42.55 1r3u s PHE 66 CO -0.06 0.04 -0.03 -0.51 0.70 0.00 0.00 175.22 175.36 1r3u s LEU 67 N -3.36 1.56 -0.17 -0.37 1.43 -0.63 -3.73 118.68 113.41 1r3u s LEU 67 Ca 0.30 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1r3u s LEU 67 Cb 0.06 -0.28 0.01 0.00 0.03 0.00 0.00 46.19 46.00 1r3u s LEU 67 CO 0.10 -0.02 -0.17 0.00 0.23 0.00 0.00 176.35 176.49 1r3u s ALA 68 N 0.52 2.43 0.36 4.21 0.00 -0.38 -1.22 121.76 127.69 1r3u s ALA 68 Ca -0.06 -1.12 0.06 0.00 0.00 0.00 0.00 51.96 50.84 1r3u s ALA 68 Cb -0.09 -1.22 -0.07 0.00 0.00 0.00 0.00 23.12 21.74 1r3u s ALA 68 CO -0.01 -0.18 -0.00 0.14 0.00 0.00 0.00 175.76 175.71 1r3u s VAL 69 N 1.05 1.76 0.27 0.00 -7.23 -1.26 -0.20 120.40 114.78 1r3u s VAL 69 Ca -0.01 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.10 1r3u s VAL 69 Cb -0.14 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 1r3u s VAL 69 CO -0.05 -0.07 0.28 -0.55 -0.31 0.00 0.00 175.10 174.40 1r3u s SER 70 N -3.60 0.63 -0.07 4.85 0.15 0.56 -4.81 113.70 111.42 1r3u s SER 70 Ca 0.34 -1.43 -0.06 0.00 0.70 0.00 0.00 55.95 55.50 1r3u s SER 70 Cb 0.08 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1r3u s SER 70 CO 0.16 -1.02 0.18 -0.55 1.20 0.00 0.00 173.24 173.21 1r3u s SER 71 N -3.21 6.42 -0.17 5.45 0.15 -1.26 -0.95 113.70 120.13 1r3u s SER 71 Ca 0.35 0.47 0.04 0.00 0.70 0.00 0.00 55.95 57.52 1r3u s SER 71 Cb 0.03 -2.06 0.36 0.00 -1.71 0.00 0.00 66.02 62.64 1r3u s SER 71 CO 0.17 0.35 1.27 -1.22 1.20 0.00 0.00 173.24 175.02 1r3u n TYR 72 N 1.62 1.25 0.00 3.44 4.02 -1.26 -4.84 117.16 121.39 1r3u n TYR 72 Ca -0.16 -0.75 0.00 0.00 -0.01 0.00 0.00 57.90 56.98 1r3u n TYR 72 Cb 0.54 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1r3u n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1r3u n GLY 73 N 0.01 1.35 2.50 2.72 0.00 -1.26 -4.40 105.19 106.11 1r3u n GLY 73 Ca 0.21 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 1r3u n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r3u n SER 74 N 5.19 4.02 0.00 1.61 7.64 -1.26 -4.20 113.62 126.62 1r3u n SER 74 Ca 0.00 -3.47 0.00 0.00 1.01 0.00 0.00 58.87 56.41 1r3u n SER 74 Cb 0.00 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1r3u n SER 74 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1r3u n SER 75 N 0.75 0.00 0.10 6.43 7.64 -1.26 -4.79 113.62 122.49 1r3u n SER 75 Ca 0.30 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 60.01 1r3u n SER 75 Cb 0.40 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.48 1r3u n SER 75 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1r3u h THR 76 N 0.00 1.43 0.00 0.44 2.02 -1.73 -1.66 112.91 113.42 1r3u h THR 76 Ca 0.00 -2.86 -0.01 0.00 0.77 0.00 0.00 66.41 64.31 1r3u h THR 76 Cb 0.00 2.85 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1r3u h THR 76 CO 0.00 0.84 -0.05 0.07 0.37 0.00 0.00 175.52 176.75 1r3u h LYS 77 N 0.13 0.00 0.00 6.66 -0.00 -1.87 0.20 116.57 121.69 1r3u h LYS 77 Ca -0.15 0.00 -0.36 0.00 -0.00 0.00 0.00 60.65 60.15 1r3u h LYS 77 Cb 1.93 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 34.09 1r3u h LYS 77 CO 0.21 0.05 -2.34 -1.13 -0.00 0.00 0.00 179.45 176.24 1r3u n SER 78 N -3.11 0.31 -0.00 7.07 3.41 -1.24 -4.68 113.62 115.37 1r3u n SER 78 Ca 0.04 -0.01 0.01 0.00 -0.26 0.00 0.00 58.87 58.65 1r3u n SER 78 Cb 0.55 0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 65.38 1r3u n SER 78 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1r3u n SER 79 N -2.75 3.93 0.00 4.04 7.64 -0.63 -5.01 113.62 120.84 1r3u n SER 79 Ca -0.32 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1r3u n SER 79 Cb 1.12 1.08 0.00 0.00 -1.01 0.00 0.00 64.21 65.40 1r3u n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r3u n GLY 80 N 2.20 0.52 3.70 0.23 0.00 0.71 -4.70 105.19 107.85 1r3u n GLY 80 Ca -0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1r3u n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r3u s ILE 81 N -2.00 3.92 0.17 -0.61 -1.09 -1.22 -4.03 121.20 116.33 1r3u s ILE 81 Ca 0.00 1.33 0.06 0.00 -2.23 0.00 0.00 60.65 59.81 1r3u s ILE 81 Cb 0.00 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1r3u s ILE 81 CO 0.00 0.05 -0.13 0.68 -1.23 0.00 0.00 174.94 174.31 1r3u s VAL 82 N 1.75 1.45 -0.07 2.92 -7.23 -1.26 -3.81 120.40 114.15 1r3u s VAL 82 Ca 0.60 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 58.55 1r3u s VAL 82 Cb -0.30 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1r3u s VAL 82 CO 0.27 -0.60 0.46 -0.75 -0.31 0.00 0.00 175.10 174.16 1r3u s LYS 83 N -3.45 4.21 -0.49 4.82 2.20 -0.13 -4.88 119.74 122.03 1r3u s LYS 83 Ca 0.17 0.45 -0.25 0.00 -0.36 0.00 0.00 55.97 55.98 1r3u s LYS 83 Cb -0.01 -3.36 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1r3u s LYS 83 CO 0.04 0.36 0.91 0.42 -0.36 0.00 0.00 175.35 176.71 1r3u s ILE 84 N -0.02 4.47 -0.08 5.43 1.01 -1.26 -0.32 121.20 130.43 1r3u s ILE 84 Ca 0.25 0.55 -0.19 0.00 0.00 0.00 0.00 60.65 61.27 1r3u s ILE 84 Cb -0.16 -4.45 -0.29 0.00 0.01 0.00 0.00 42.46 37.57 1r3u s ILE 84 CO 0.12 -0.90 0.71 0.40 0.00 0.00 0.00 174.94 175.26 1r3u h ILE 85 N 6.05 1.26 -3.35 2.92 1.08 -0.89 -3.44 117.51 121.14 1r3u h ILE 85 Ca -0.25 -2.46 -0.56 0.00 -0.39 0.00 0.00 64.86 61.21 1r3u h ILE 85 Cb 1.08 2.94 -0.39 0.00 -3.07 0.00 0.00 36.82 37.37 1r3u h ILE 85 CO 1.04 0.70 -0.77 -0.75 -0.69 0.00 0.00 178.15 177.68 1r3u s LYS 86 N -2.45 0.93 0.67 2.37 2.47 -0.46 -4.95 119.74 118.32 1r3u s LYS 86 Ca -0.17 -0.72 -0.11 0.00 -1.56 0.00 0.00 55.97 53.41 1r3u s LYS 86 Cb 0.03 -2.22 -0.01 0.00 -1.46 0.00 0.00 37.83 34.16 1r3u s LYS 86 CO 0.79 -0.70 1.06 0.34 0.16 0.00 0.00 175.35 177.00 1r3u s ASP 87 N 1.68 5.82 0.39 1.43 -1.08 -1.26 -1.25 116.67 122.39 1r3u s ASP 87 Ca 0.00 1.28 -0.23 0.00 -0.52 0.00 0.00 52.55 53.08 1r3u s ASP 87 Cb -0.18 -2.20 -0.10 0.00 -1.46 0.00 0.00 42.92 38.98 1r3u s ASP 87 CO -0.11 -1.12 0.96 -1.38 0.52 0.00 0.00 175.17 174.04 1r3u s HIS 88 N -3.27 3.43 -0.07 -5.34 -3.43 -1.24 -4.86 115.29 100.51 1r3u s HIS 88 Ca 0.57 1.68 0.06 0.00 -0.80 0.00 0.00 55.06 56.56 1r3u s HIS 88 Cb -0.11 -2.92 -0.24 0.00 -1.43 0.00 0.00 32.58 27.88 1r3u s HIS 88 CO 0.53 -0.08 0.57 -0.25 -2.00 0.00 0.00 174.74 173.50 1r3u n ASP 89 N -0.16 1.29 -4.76 7.38 8.00 -1.26 -4.91 116.55 122.14 1r3u n ASP 89 Ca 0.05 0.35 -0.41 0.00 0.71 0.00 0.00 54.79 55.49 1r3u n ASP 89 Cb 0.52 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 1r3u n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r3u s ILE 90 N -2.58 2.80 -0.40 0.53 1.01 -1.26 -4.95 121.20 116.35 1r3u s ILE 90 Ca -0.10 0.73 -0.27 0.00 0.00 0.00 0.00 60.65 61.01 1r3u s ILE 90 Cb 0.07 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 39.10 1r3u s ILE 90 CO 0.81 0.14 0.99 -0.62 0.00 0.00 0.00 174.94 176.26 1r3u s ASP 91 N -0.08 6.68 0.00 3.58 3.68 -1.26 -4.92 116.67 124.36 1r3u s ASP 91 Ca 0.53 0.56 0.28 0.00 2.13 0.00 0.00 52.55 56.05 1r3u s ASP 91 Cb -0.40 -2.49 1.08 0.00 -1.45 0.00 0.00 42.92 39.66 1r3u s ASP 91 CO 0.47 -0.97 1.76 2.30 0.13 0.00 0.00 175.17 178.86 1r3u n ILE 92 N 6.20 0.00 -1.69 4.11 -5.35 -1.26 -4.86 119.36 116.52 1r3u n ILE 92 Ca 0.09 -0.15 -0.45 0.00 -0.27 0.00 0.00 62.75 61.98 1r3u n ILE 92 Cb 0.48 0.24 -0.04 0.00 -1.74 0.00 0.00 39.64 38.58 1r3u n ILE 92 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1r3u n GLU 93 N -0.44 2.41 -0.95 6.28 2.13 -1.22 -1.23 120.64 127.62 1r3u n GLU 93 Ca 0.16 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.85 1r3u n GLU 93 Cb 0.31 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.34 1r3u n GLU 93 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r3u n GLY 94 N 3.70 0.47 3.78 8.31 0.00 0.91 -4.85 105.19 117.52 1r3u n GLY 94 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1r3u n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3u s LYS 95 N -0.50 2.76 -0.43 1.61 1.02 -0.37 -4.23 119.74 119.61 1r3u s LYS 95 Ca 0.00 -1.16 -0.20 0.00 0.02 0.00 0.00 55.97 54.63 1r3u s LYS 95 Cb 0.00 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1r3u s LYS 95 CO 0.00 0.38 0.62 -0.51 -0.92 0.00 0.00 175.35 174.91 1r3u s ASP 96 N -3.81 6.32 -0.15 2.83 1.01 0.21 -0.30 116.67 122.78 1r3u s ASP 96 Ca 0.33 -0.32 -0.07 0.00 0.71 0.00 0.00 52.55 53.20 1r3u s ASP 96 Cb -0.07 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1r3u s ASP 96 CO 0.24 -0.73 0.09 -0.69 0.21 0.00 0.00 175.17 174.29 1r3u s VAL 97 N 2.73 5.08 -0.18 -1.27 1.01 -0.34 -0.07 120.40 127.35 1r3u s VAL 97 Ca 0.22 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1r3u s VAL 97 Cb -0.14 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1r3u s VAL 97 CO 0.18 0.54 -0.19 -0.22 0.00 0.00 0.00 175.10 175.40 1r3u s LEU 98 N -0.32 2.08 -0.16 3.92 2.96 -0.12 -1.16 118.68 125.89 1r3u s LEU 98 Ca 0.10 -0.63 -0.23 0.00 -0.22 0.00 0.00 54.13 53.14 1r3u s LEU 98 Cb -0.12 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 1r3u s LEU 98 CO 0.01 -0.01 0.74 -0.63 -1.32 0.00 0.00 176.35 175.14 1r3u s ILE 99 N 1.31 4.96 -0.30 6.68 1.01 0.45 -1.32 121.20 133.99 1r3u s ILE 99 Ca 0.05 1.45 -0.08 0.00 0.00 0.00 0.00 60.65 62.06 1r3u s ILE 99 Cb -0.13 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1r3u s ILE 99 CO -0.13 0.10 0.12 -0.69 0.00 0.00 0.00 174.94 174.34 1r3u s VAL 100 N 1.79 4.29 0.20 2.92 1.01 0.63 -0.13 120.40 131.10 1r3u s VAL 100 Ca 0.35 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.86 1r3u s VAL 100 Cb -0.17 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1r3u s VAL 100 CO 0.13 0.07 -0.04 -1.61 0.00 0.00 0.00 175.10 173.65 1r3u s GLU 101 N 1.56 2.23 -0.03 2.72 0.41 0.10 -3.73 118.70 121.96 1r3u s GLU 101 Ca 0.04 -1.24 -0.06 0.00 -0.41 0.00 0.00 54.97 53.29 1r3u s GLU 101 Cb -0.17 -2.23 -0.29 0.00 -1.78 0.00 0.00 34.13 29.67 1r3u s GLU 101 CO 0.04 0.43 0.73 0.38 -0.49 0.00 0.00 175.26 176.35 1r3u h ASP 102 N 2.62 0.47 -4.27 -0.19 2.03 -1.87 -3.23 116.42 111.98 1r3u h ASP 102 Ca -0.46 -0.71 -0.06 0.00 -0.73 0.00 0.00 57.03 55.06 1r3u h ASP 102 Cb 1.21 -0.15 -0.21 0.00 -0.83 0.00 0.00 39.33 39.35 1r3u h ASP 102 CO 0.57 1.61 0.08 -0.51 -1.03 0.00 0.00 179.24 179.95 1r3u s ILE 103 N -2.59 0.00 -0.18 4.15 2.07 -1.26 -2.17 121.20 121.22 1r3u s ILE 103 Ca -0.13 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.10 1r3u s ILE 103 Cb 0.06 -0.92 0.02 0.00 0.13 0.00 0.00 42.46 41.75 1r3u s ILE 103 CO 0.85 -0.01 -0.19 -0.63 -1.91 0.00 0.00 174.94 173.04 1r3u s ILE 104 N -0.10 2.03 0.00 2.00 1.01 -0.99 -4.99 121.20 120.16 1r3u s ILE 104 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1r3u s ILE 104 Cb -0.04 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1r3u s ILE 104 CO 0.03 0.50 0.00 -0.90 0.00 0.00 0.00 174.94 174.57 1r3u n ASP 105 N 4.62 0.00 0.02 3.58 3.85 -1.26 -1.06 116.55 126.30 1r3u n ASP 105 Ca -0.20 0.00 -0.10 0.00 -0.71 0.00 0.00 54.79 53.78 1r3u n ASP 105 Cb 0.50 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.30 1r3u n ASP 105 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1r3u h SER 106 N 0.00 0.58 0.00 -1.12 4.64 -1.88 0.32 113.55 116.09 1r3u h SER 106 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1r3u h SER 106 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1r3u h SER 106 CO 0.00 1.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.64 1r3u n GLY 107 N 0.39 0.65 0.33 -0.77 0.00 -1.26 0.13 105.19 104.65 1r3u n GLY 107 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1r3u n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r3u h LEU 108 N 0.00 -0.66 -1.44 0.99 3.38 -1.91 -1.09 115.31 114.58 1r3u h LEU 108 Ca 0.00 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1r3u h LEU 108 Cb 0.02 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1r3u h LEU 108 CO 0.00 -0.34 0.38 0.74 0.09 0.00 0.00 178.44 179.31 1r3u h THR 109 N -0.97 1.14 -0.41 0.22 2.02 -1.84 -2.22 112.91 110.85 1r3u h THR 109 Ca -0.08 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1r3u h THR 109 Cb 0.65 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1r3u h THR 109 CO 0.13 0.14 -0.11 0.25 0.37 0.00 0.00 175.52 176.30 1r3u h LEU 110 N 0.77 0.80 -1.13 2.58 5.85 -1.85 -1.54 115.31 120.80 1r3u h LEU 110 Ca 0.21 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1r3u h LEU 110 Cb -0.08 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1r3u h LEU 110 CO -0.05 0.99 0.15 0.00 -0.34 0.00 0.00 178.44 179.19 1r3u h ALA 111 N 0.84 1.30 -0.34 1.25 0.00 -0.80 -1.21 119.26 120.30 1r3u h ALA 111 Ca 0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1r3u h ALA 111 Cb 0.64 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1r3u h ALA 111 CO 0.04 0.50 -0.23 -0.92 0.00 0.00 0.00 179.25 178.64 1r3u h TYR 112 N 0.75 0.89 -0.16 0.00 3.20 -1.20 -2.56 116.97 117.88 1r3u h TYR 112 Ca 0.17 -0.24 -0.11 0.00 3.14 0.00 0.00 58.73 61.69 1r3u h TYR 112 Cb 0.24 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1r3u h TYR 112 CO 0.01 0.99 -0.37 -0.07 -1.64 0.00 0.00 178.16 177.08 1r3u h LEU 113 N 0.54 0.37 -0.27 2.82 3.38 -1.03 -1.55 115.31 119.57 1r3u h LEU 113 Ca 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1r3u h LEU 113 Cb 0.79 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1r3u h LEU 113 CO 0.06 0.71 0.14 -0.09 0.09 0.00 0.00 178.44 179.35 1r3u h ARG 114 N 0.30 0.39 -0.61 1.13 2.43 -1.16 0.14 114.38 117.00 1r3u h ARG 114 Ca 0.03 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1r3u h ARG 114 Cb 0.80 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1r3u h ARG 114 CO 0.06 0.37 0.28 0.93 -1.51 0.00 0.00 179.97 180.10 1r3u h GLU 115 N 0.31 0.89 -0.62 0.20 5.08 -1.21 0.33 114.58 119.56 1r3u h GLU 115 Ca 0.09 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1r3u h GLU 115 Cb 0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1r3u h GLU 115 CO -0.01 0.72 0.11 1.15 -1.00 0.00 0.00 179.01 179.98 1r3u h THR 116 N 0.84 1.26 0.00 1.13 2.02 -1.05 -2.48 112.91 114.63 1r3u h THR 116 Ca 0.21 -0.99 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 1r3u h THR 116 Cb 0.13 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1r3u h THR 116 CO -0.02 0.37 -0.34 -0.07 0.37 0.00 0.00 175.52 175.82 1r3u h LEU 117 N 0.93 0.00 -1.05 2.58 3.38 -0.32 -2.79 115.31 118.05 1r3u h LEU 117 Ca 0.19 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1r3u h LEU 117 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1r3u h LEU 117 CO 0.01 0.34 -0.41 -0.07 0.09 0.00 0.00 178.44 178.40 1r3u h LEU 118 N 0.00 0.00 0.00 1.67 3.38 -0.50 -2.60 115.31 117.26 1r3u h LEU 118 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r3u h LEU 118 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1r3u h LEU 118 CO 0.04 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1r3u n GLY 119 N 0.01 -0.91 1.32 0.83 0.00 -1.01 -1.81 105.19 103.61 1r3u n GLY 119 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1r3u n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3u n ARG 120 N -1.44 2.67 -3.33 1.61 1.74 -0.98 -5.00 116.66 111.93 1r3u n ARG 120 Ca 0.04 -2.57 -0.16 0.00 -0.77 0.00 0.00 57.85 54.39 1r3u n ARG 120 Cb 0.15 -1.56 0.08 0.00 -1.02 0.00 0.00 32.46 30.11 1r3u n ARG 120 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1r3u n LYS 121 N 1.63 -5.42 -1.41 5.56 5.02 -0.75 -3.43 118.16 119.36 1r3u n LYS 121 Ca 0.23 0.82 -0.31 0.00 -2.02 0.00 0.00 58.31 57.04 1r3u n LYS 121 Cb 0.62 -5.74 0.08 0.00 -0.02 0.00 0.00 35.03 29.97 1r3u n LYS 121 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1r3u s PRO 122 N -5.09 2.46 0.34 1.97 0.04 -1.26 -0.06 135.00 133.41 1r3u s PRO 122 Ca 0.10 1.01 0.11 0.00 0.04 0.00 0.00 61.00 62.26 1r3u s PRO 122 Cb -0.01 -1.93 0.61 0.00 0.04 0.00 0.00 34.50 33.21 1r3u s PRO 122 CO 0.71 -1.45 1.77 -0.09 0.04 0.00 0.00 177.00 177.98 1r3u h ARG 123 N -0.98 0.08 -2.35 4.56 2.43 -0.83 -3.41 114.38 113.87 1r3u h ARG 123 Ca -0.44 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 1r3u h ARG 123 Cb 1.23 -0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.61 1r3u h ARG 123 CO 0.55 0.47 0.20 -1.54 -1.51 0.00 0.00 179.97 178.13 1r3u s SER 124 N -6.91 -0.63 -0.12 -3.80 1.04 -1.19 -4.99 113.70 97.12 1r3u s SER 124 Ca -0.03 0.46 -0.04 0.00 0.48 0.00 0.00 55.95 56.82 1r3u s SER 124 Cb 0.14 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.87 1r3u s SER 124 CO 0.74 -0.74 0.10 -0.22 0.98 0.00 0.00 173.24 174.11 1r3u s LEU 125 N -1.75 0.18 0.26 2.42 2.96 -1.26 -1.20 118.68 120.30 1r3u s LEU 125 Ca -0.07 -0.23 0.10 0.00 -0.22 0.00 0.00 54.13 53.71 1r3u s LEU 125 Cb -0.00 -0.09 -0.05 0.00 0.50 0.00 0.00 46.19 46.54 1r3u s LEU 125 CO 0.02 -0.30 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.04 1r3u s LYS 126 N 2.18 1.56 -0.03 1.98 1.02 -0.31 -5.02 119.74 121.12 1r3u s LYS 126 Ca 0.04 -1.72 0.07 0.00 0.02 0.00 0.00 55.97 54.37 1r3u s LYS 126 Cb -0.14 -1.49 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 1r3u s LYS 126 CO -0.07 0.24 -0.22 0.42 -0.92 0.00 0.00 175.35 174.80 1r3u s ILE 127 N -2.72 2.40 -0.04 2.17 1.01 -1.26 -0.41 121.20 122.34 1r3u s ILE 127 Ca 0.27 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1r3u s ILE 127 Cb -0.02 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.59 1r3u s ILE 127 CO 0.12 0.57 -0.05 0.00 0.00 0.00 0.00 174.94 175.58 1r3u s THR 129 N 0.92 1.03 -0.17 0.00 -4.23 0.18 -0.72 115.64 112.64 1r3u s THR 129 Ca -0.11 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1r3u s THR 129 Cb -0.14 -1.37 -0.22 0.00 1.34 0.00 0.00 72.50 72.10 1r3u s THR 129 CO 0.00 -0.51 0.16 0.00 -0.54 0.00 0.00 174.62 173.73 1r3u n ILE 130 N 0.59 1.60 -4.34 2.99 0.13 -1.22 -1.22 119.36 117.90 1r3u n ILE 130 Ca -0.16 -0.68 -0.29 0.00 -1.10 0.00 0.00 62.75 60.52 1r3u n ILE 130 Cb 0.57 -1.35 -0.12 0.00 -0.84 0.00 0.00 39.64 37.91 1r3u n ILE 130 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1r3u s LEU 131 N -6.51 2.56 -0.24 9.51 1.43 -0.92 -0.75 118.68 123.77 1r3u s LEU 131 Ca -0.22 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.10 1r3u s LEU 131 Cb 0.08 -1.40 0.08 0.00 0.03 0.00 0.00 46.19 44.97 1r3u s LEU 131 CO 0.73 0.17 0.57 -0.62 0.23 0.00 0.00 176.35 177.42 1r3u s ASP 132 N -2.21 -0.76 -0.86 2.29 2.15 -0.75 -2.36 116.67 114.17 1r3u s ASP 132 Ca 0.17 1.27 -0.04 0.00 0.43 0.00 0.00 52.55 54.38 1r3u s ASP 132 Cb -0.10 1.27 0.21 0.00 -0.30 0.00 0.00 42.92 44.01 1r3u s ASP 132 CO 0.09 -0.22 0.74 -0.54 -0.17 0.00 0.00 175.17 175.07 1r3u s LYS 133 N 1.78 3.25 0.32 4.34 1.02 -0.22 -1.65 119.74 128.58 1r3u s LYS 133 Ca -0.09 -3.07 0.09 0.00 0.02 0.00 0.00 55.97 52.93 1r3u s LYS 133 Cb -0.08 -4.01 0.94 0.00 -0.52 0.00 0.00 37.83 34.17 1r3u s LYS 133 CO -0.17 -1.25 1.63 -1.35 -0.92 0.00 0.00 175.35 173.30 1r3u h PRO 134 N 6.40 0.18 0.00 -1.68 0.11 -1.83 -1.14 132.00 134.05 1r3u h PRO 134 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1r3u h PRO 134 Cb 0.86 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1r3u h PRO 134 CO 0.83 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 179.13 1r3u n GLU 135 N -5.21 0.00 -0.23 1.05 1.02 -1.26 -2.74 120.64 113.27 1r3u n GLU 135 Ca 0.28 0.76 0.21 0.00 -0.02 0.00 0.00 57.16 58.39 1r3u n GLU 135 Cb 0.89 -1.46 0.37 0.00 -0.02 0.00 0.00 31.44 31.22 1r3u n GLU 135 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1r3u n ARG 136 N -2.47 -0.03 -1.18 3.49 5.12 -0.43 -4.79 116.66 116.37 1r3u n ARG 136 Ca 0.00 0.79 -0.46 0.00 -1.93 0.00 0.00 57.85 56.25 1r3u n ARG 136 Cb 0.00 -1.47 -0.06 0.00 -1.16 0.00 0.00 32.46 29.77 1r3u n ARG 136 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1r3u n ARG 137 N -4.14 0.00 0.00 5.56 3.00 0.10 -3.81 116.66 117.37 1r3u n ARG 137 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 1r3u n ARG 137 Cb 0.83 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 32.16 1r3u n ARG 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1r3u n GLU 138 N 1.57 0.95 -4.13 -0.14 1.02 0.12 -4.92 120.64 115.12 1r3u n GLU 138 Ca 0.17 -0.13 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 1r3u n GLU 138 Cb 0.04 -0.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.84 1r3u n GLU 138 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r3u s ALA 139 N -0.17 0.80 -0.76 0.62 0.00 -0.85 -4.92 121.76 116.48 1r3u s ALA 139 Ca 0.00 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 50.52 1r3u s ALA 139 Cb 0.00 0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.35 1r3u s ALA 139 CO 0.00 -0.23 1.12 0.34 0.00 0.00 0.00 175.76 176.99 1r3u s ASP 140 N -2.75 6.27 -0.04 0.00 -1.08 -1.26 -4.91 116.67 112.91 1r3u s ASP 140 Ca 0.07 -1.08 0.03 0.00 -0.52 0.00 0.00 52.55 51.05 1r3u s ASP 140 Cb 0.03 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1r3u s ASP 140 CO -0.05 -1.49 -0.12 -0.69 0.52 0.00 0.00 175.17 173.34 1r3u s VAL 141 N 4.35 1.05 -0.38 1.11 1.01 -1.26 -4.98 120.40 121.30 1r3u s VAL 141 Ca 0.29 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1r3u s VAL 141 Cb -0.11 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1r3u s VAL 141 CO 0.06 0.32 0.26 -0.75 0.00 0.00 0.00 175.10 174.99 1r3u s LYS 142 N 0.22 3.16 -0.48 2.72 2.20 -1.26 -5.04 119.74 121.26 1r3u s LYS 142 Ca -0.05 -0.88 -0.23 0.00 -0.36 0.00 0.00 55.97 54.45 1r3u s LYS 142 Cb -0.11 -3.87 0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1r3u s LYS 142 CO 0.01 -0.62 0.82 0.08 -0.36 0.00 0.00 175.35 175.29 1r3u s VAL 143 N 1.68 4.59 0.14 4.02 1.01 -1.26 -4.51 120.40 126.06 1r3u s VAL 143 Ca 0.05 0.35 0.20 0.00 0.00 0.00 0.00 61.98 62.59 1r3u s VAL 143 Cb -0.18 -4.38 0.16 0.00 0.00 0.00 0.00 36.38 31.97 1r3u s VAL 143 CO 0.10 -0.83 1.74 0.44 0.00 0.00 0.00 175.10 176.55 1r3u h ASP 144 N 9.07 0.00 -3.09 3.32 3.32 -1.69 -3.42 116.42 123.93 1r3u h ASP 144 Ca -0.25 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.50 1r3u h ASP 144 Cb 1.08 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.27 1r3u h ASP 144 CO 1.00 0.33 -0.64 -0.31 -1.72 0.00 0.00 179.24 177.90 1r3u s TYR 145 N -3.58 -0.17 0.16 4.55 1.51 -0.76 -5.01 117.35 114.04 1r3u s TYR 145 Ca 0.00 0.60 0.09 0.00 -1.01 0.00 0.00 57.07 56.76 1r3u s TYR 145 Cb 0.11 -0.27 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 1r3u s TYR 145 CO 0.67 -0.27 -0.20 0.00 -1.11 0.00 0.00 175.55 174.65 1r3u n GLY 147 N 0.40 -0.45 3.10 0.00 0.00 -0.36 -4.93 105.19 102.94 1r3u n GLY 147 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1r3u n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r3u s PHE 148 N -0.81 0.89 -0.16 1.61 0.40 0.07 -5.01 117.98 114.97 1r3u s PHE 148 Ca 0.00 -0.44 -0.09 0.00 -0.60 0.00 0.00 56.93 55.80 1r3u s PHE 148 Cb 0.00 -0.52 -0.05 0.00 0.51 0.00 0.00 43.02 42.96 1r3u s PHE 148 CO 0.00 -0.02 0.15 0.15 0.70 0.00 0.00 175.22 176.20 1r3u s LYS 149 N -1.47 3.84 0.06 0.44 -0.14 -1.26 -1.81 119.74 119.39 1r3u s LYS 149 Ca -0.05 -0.15 -0.01 0.00 -1.36 0.00 0.00 55.97 54.40 1r3u s LYS 149 Cb -0.09 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.71 1r3u s LYS 149 CO 0.01 0.53 -0.03 0.96 -0.76 0.00 0.00 175.35 176.06 1r3u s ILE 150 N -0.32 0.30 0.67 2.17 -4.36 -0.66 -4.96 121.20 114.05 1r3u s ILE 150 Ca 0.12 -1.84 -0.13 0.00 -0.26 0.00 0.00 60.65 58.54 1r3u s ILE 150 Cb -0.12 -1.57 -0.00 0.00 1.25 0.00 0.00 42.46 42.03 1r3u s ILE 150 CO 0.01 -0.96 1.07 -2.16 0.24 0.00 0.00 174.94 173.14 1r3u s PRO 151 N -3.91 2.93 -1.24 0.37 0.04 -1.26 -4.54 135.00 127.39 1r3u s PRO 151 Ca 0.08 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1r3u s PRO 151 Cb 0.07 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1r3u s PRO 151 CO -0.09 -1.12 1.79 0.34 0.04 0.00 0.00 177.00 177.97 1r3u s ASP 152 N -3.21 6.21 0.18 6.66 2.15 -1.26 -4.89 116.67 122.51 1r3u s ASP 152 Ca 0.62 -2.13 0.11 0.00 0.43 0.00 0.00 52.55 51.58 1r3u s ASP 152 Cb -0.16 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.83 1r3u s ASP 152 CO 0.47 -1.83 -0.23 -0.75 -0.17 0.00 0.00 175.17 172.65 1r3u s LYS 153 N 5.03 1.45 -0.92 4.34 2.20 -1.26 -5.05 119.74 125.53 1r3u s LYS 153 Ca 0.59 -1.47 -0.24 0.00 -0.36 0.00 0.00 55.97 54.48 1r3u s LYS 153 Cb 0.02 -1.75 -0.03 0.00 -1.51 0.00 0.00 37.83 34.56 1r3u s LYS 153 CO 0.09 0.38 1.84 0.12 -0.36 0.00 0.00 175.35 177.42 1r3u s PHE 154 N -1.63 1.95 0.25 4.03 5.36 -1.26 -4.96 117.98 121.73 1r3u s PHE 154 Ca 0.18 0.33 0.01 0.00 -0.96 0.00 0.00 56.93 56.50 1r3u s PHE 154 Cb -0.08 -4.18 -0.04 0.00 -0.34 0.00 0.00 43.02 38.38 1r3u s PHE 154 CO 0.09 -1.80 0.42 0.14 -1.46 0.00 0.00 175.22 172.61 1r3u s VAL 155 N 9.00 5.20 0.22 3.12 -7.23 -1.26 -2.39 120.40 127.06 1r3u s VAL 155 Ca 0.65 -0.58 -0.09 0.00 -1.81 0.00 0.00 61.98 60.15 1r3u s VAL 155 Cb -0.05 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.07 1r3u s VAL 155 CO -0.02 -0.32 0.36 0.68 -0.31 0.00 0.00 175.10 175.48 1r3u s VAL 156 N -2.02 0.01 0.00 1.32 -7.23 0.01 -4.73 120.40 107.75 1r3u s VAL 156 Ca 0.37 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1r3u s VAL 156 Cb -0.10 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1r3u s VAL 156 CO 0.31 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 1r3u n GLY 157 N -0.33 2.53 3.78 2.32 0.00 -0.59 -1.92 105.19 110.99 1r3u n GLY 157 Ca -0.01 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 1r3u n GLY 157 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r3u n TYR 158 N 1.14 -1.99 0.00 1.61 9.36 -0.09 -2.45 117.16 124.75 1r3u n TYR 158 Ca 0.00 0.85 0.00 0.00 3.32 0.00 0.00 57.90 62.07 1r3u n TYR 158 Cb 0.00 -4.22 0.00 0.00 -0.63 0.00 0.00 39.34 34.49 1r3u n TYR 158 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1r3u n GLY 159 N -1.64 3.11 3.75 2.98 0.00 -0.24 -4.49 105.19 108.66 1r3u n GLY 159 Ca -0.21 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 1r3u n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3u s LEU 160 N 0.00 3.90 0.00 0.99 1.02 -1.02 -4.46 118.68 119.11 1r3u s LEU 160 Ca 0.00 2.82 0.02 0.00 0.02 0.00 0.00 54.13 56.99 1r3u s LEU 160 Cb 0.00 -4.20 -0.01 0.00 0.02 0.00 0.00 46.19 42.00 1r3u s LEU 160 CO 0.00 -1.51 0.07 -0.90 0.02 0.00 0.00 176.35 174.02 1r3u n ASP 161 N -0.87 0.30 -3.17 2.29 5.75 -1.26 -1.54 116.55 118.05 1r3u n ASP 161 Ca 0.09 -1.67 0.02 0.00 -0.01 0.00 0.00 54.79 53.23 1r3u n ASP 161 Cb 0.44 0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 40.94 1r3u n ASP 161 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1r3u s TYR 162 N -2.25 -1.54 -1.39 2.11 5.04 -0.72 -4.87 117.35 113.74 1r3u s TYR 162 Ca 0.10 1.52 -0.05 0.00 -2.44 0.00 0.00 57.07 56.20 1r3u s TYR 162 Cb 0.00 0.47 0.01 0.00 0.35 0.00 0.00 41.96 42.79 1r3u s TYR 162 CO 0.07 -0.89 0.70 0.00 -1.34 0.00 0.00 175.55 174.09 1r3u n ALA 163 N 5.42 -0.98 -0.89 3.97 0.00 -1.26 -1.69 120.51 125.08 1r3u n ALA 163 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1r3u n ALA 163 Cb 0.51 -4.04 0.00 0.00 0.00 0.00 0.00 19.45 15.92 1r3u n ALA 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1r3u n GLU 164 N -4.01 -0.19 -3.82 0.00 -0.58 -1.26 -5.01 120.64 105.78 1r3u n GLU 164 Ca -0.08 0.05 -0.21 0.00 -0.42 0.00 0.00 57.16 56.51 1r3u n GLU 164 Cb 0.60 -3.28 -0.02 0.00 -0.57 0.00 0.00 31.44 28.17 1r3u n GLU 164 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1r3u s LYS 165 N -0.41 3.07 0.00 3.49 -0.14 -0.68 -4.58 119.74 120.49 1r3u s LYS 165 Ca 0.00 -1.02 0.00 0.00 -1.36 0.00 0.00 55.97 53.59 1r3u s LYS 165 Cb 0.00 -2.71 0.00 0.00 -1.68 0.00 0.00 37.83 33.44 1r3u s LYS 165 CO 0.00 0.24 0.00 0.66 -0.76 0.00 0.00 175.35 175.49 1r3u n TYR 166 N -1.42 0.00 0.23 3.18 4.02 -1.26 -1.75 117.16 120.16 1r3u n TYR 166 Ca -0.05 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.91 1r3u n TYR 166 Cb 0.58 -0.31 0.59 0.00 -0.02 0.00 0.00 39.34 40.18 1r3u n TYR 166 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r3u h ARG 167 N 2.11 0.04 -0.08 -0.72 3.08 -1.80 -2.51 114.38 114.50 1r3u h ARG 167 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r3u h ARG 167 Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1r3u h ARG 167 CO 0.00 0.07 0.00 0.27 -1.07 0.00 0.00 179.97 179.24 1r3u n ASN 168 N -4.48 0.83 -4.75 7.04 6.94 -1.26 -1.08 115.26 118.50 1r3u n ASN 168 Ca -0.02 -1.54 -0.41 0.00 -0.02 0.00 0.00 54.58 52.58 1r3u n ASN 168 Cb 0.13 -0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.47 1r3u n ASN 168 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1r3u s LEU 169 N -1.60 4.43 0.00 -4.53 1.43 -0.96 -4.84 118.68 112.61 1r3u s LEU 169 Ca 0.31 2.53 0.28 0.00 -1.03 0.00 0.00 54.13 56.22 1r3u s LEU 169 Cb 0.16 -3.63 1.57 0.00 0.03 0.00 0.00 46.19 44.32 1r3u s LEU 169 CO 0.25 -0.51 2.00 -0.81 0.23 0.00 0.00 176.35 177.50 1r3u n PRO 170 N 1.76 0.70 -4.33 1.29 -0.04 -1.26 -0.91 135.00 132.21 1r3u n PRO 170 Ca 0.03 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 1r3u n PRO 170 Cb 0.42 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.29 1r3u n PRO 170 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1r3u s PHE 171 N -2.22 1.58 -0.37 0.54 -0.12 -1.26 -4.26 117.98 111.87 1r3u s PHE 171 Ca 0.36 -1.35 -0.11 0.00 -0.05 0.00 0.00 56.93 55.78 1r3u s PHE 171 Cb 0.19 -0.85 0.03 0.00 -0.63 0.00 0.00 43.02 41.76 1r3u s PHE 171 CO 0.36 -0.51 0.20 0.42 -0.05 0.00 0.00 175.22 175.64 1r3u s ILE 172 N -3.64 4.54 0.37 -4.49 -1.09 -0.67 -3.84 121.20 112.38 1r3u s ILE 172 Ca 0.36 -0.86 0.06 0.00 -2.23 0.00 0.00 60.65 57.98 1r3u s ILE 172 Cb 0.05 -3.53 -0.07 0.00 -1.58 0.00 0.00 42.46 37.33 1r3u s ILE 172 CO 0.17 -0.22 0.02 -0.83 -1.23 0.00 0.00 174.94 172.85 1r3u s GLY 173 N 1.55 2.29 -0.20 6.18 0.00 -0.81 -0.89 107.32 115.43 1r3u s GLY 173 Ca 0.02 -2.18 -0.07 0.00 0.00 0.00 0.00 44.72 42.49 1r3u s GLY 173 CO 0.06 -1.97 0.06 0.14 0.00 0.00 0.00 173.10 171.40 1r3u s VAL 174 N -2.95 4.60 0.44 1.40 1.01 0.55 -0.81 120.40 124.63 1r3u s VAL 174 Ca 0.35 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 1r3u s VAL 174 Cb 0.09 -3.10 -0.08 0.00 0.00 0.00 0.00 36.38 33.29 1r3u s VAL 174 CO 0.17 0.42 1.10 -0.76 0.00 0.00 0.00 175.10 176.02 1r3u s LEU 175 N 0.81 4.03 0.10 3.92 1.43 -1.01 -0.25 118.68 127.72 1r3u s LEU 175 Ca 0.03 2.14 -0.31 0.00 -1.03 0.00 0.00 54.13 54.97 1r3u s LEU 175 Cb -0.14 -4.27 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 1r3u s LEU 175 CO 0.02 -0.73 1.60 -0.54 0.23 0.00 0.00 176.35 176.92 1r3u s LYS 176 N -2.70 4.21 0.00 1.70 1.02 -1.13 -4.71 119.74 118.14 1r3u s LYS 176 Ca 0.62 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.92 1r3u s LYS 176 Cb -0.24 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 1r3u s LYS 176 CO 0.30 -0.66 0.43 -2.30 -0.92 0.00 0.00 175.35 172.19 1r3u n PRO 177 N 4.90 0.00 0.00 -1.68 -0.02 -1.26 -0.58 135.00 136.36 1r3u n PRO 177 Ca 0.15 0.06 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 1r3u n PRO 177 Cb 0.40 -1.53 0.43 0.00 -0.02 0.00 0.00 33.50 32.79 1r3u n PRO 177 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1r3u n GLU 178 N -0.93 0.96 0.00 -0.52 1.02 -1.26 -3.73 120.64 116.18 1r3u n GLU 178 Ca 0.00 -0.54 0.07 0.00 -0.02 0.00 0.00 57.16 56.67 1r3u n GLU 178 Cb 0.03 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.88 1r3u n GLU 178 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1r3u n LEU 179 N -0.55 0.75 0.00 -4.62 4.77 0.25 -5.29 117.00 112.31 1r3u n LEU 179 Ca 0.14 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1r3u n LEU 179 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1r3u n LEU 179 CO 0.24 0.18 0.01 0.00 -1.33 0.00 0.00 177.39 176.49