#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fwi s ALA 21 N 0.00 3.44 0.32 -1.46 0.00 -1.26 -4.83 121.76 117.97 2fwi s ALA 21 Ca 0.00 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.79 2fwi s ALA 21 Cb 0.00 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2fwi s ALA 21 CO 0.00 -0.46 1.18 -1.25 0.00 0.00 0.00 175.76 175.23 2fwi s PRO 22 N -1.71 4.44 -0.00 0.00 0.04 -1.26 -4.73 135.00 131.77 2fwi s PRO 22 Ca 0.48 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.56 2fwi s PRO 22 Cb -0.36 -3.06 -0.10 0.00 0.04 0.00 0.00 34.50 31.01 2fwi s PRO 22 CO 0.48 -0.02 0.29 1.33 0.04 0.00 0.00 177.00 179.12 2fwi n VAL 23 N 0.86 0.00 -5.20 -0.36 0.24 0.37 -4.12 118.33 110.12 2fwi n VAL 23 Ca 0.00 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 61.74 2fwi n VAL 23 Cb 0.44 0.76 -0.16 0.00 -1.47 0.00 0.00 33.84 33.42 2fwi n VAL 23 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2fwi s VAL 24 N -2.05 1.90 -0.20 3.34 1.01 -1.18 0.33 120.40 123.56 2fwi s VAL 24 Ca 0.01 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 2fwi s VAL 24 Cb 0.06 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2fwi s VAL 24 CO 0.34 0.54 0.02 -0.83 0.00 0.00 0.00 175.10 175.16 2fwi s GLY 25 N -0.56 1.75 -0.29 4.51 0.00 -0.37 -1.66 107.32 110.70 2fwi s GLY 25 Ca 0.09 -0.96 -0.11 0.00 0.00 0.00 0.00 44.72 43.74 2fwi s GLY 25 CO -0.01 0.23 0.18 -0.42 0.00 0.00 0.00 173.10 173.08 2fwi s ILE 26 N 0.95 5.12 0.13 0.90 1.01 0.40 -0.20 121.20 129.52 2fwi s ILE 26 Ca 0.02 -0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.75 2fwi s ILE 26 Cb -0.14 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2fwi s ILE 26 CO 0.02 0.18 -0.22 0.27 0.00 0.00 0.00 174.94 175.20 2fwi s ILE 27 N 1.72 1.92 0.06 2.92 -4.36 0.40 -0.90 121.20 122.96 2fwi s ILE 27 Ca 0.07 -1.73 -0.12 0.00 -0.26 0.00 0.00 60.65 58.61 2fwi s ILE 27 Cb -0.16 -1.77 0.01 0.00 1.25 0.00 0.00 42.46 41.78 2fwi s ILE 27 CO 0.10 -0.09 0.26 0.00 0.24 0.00 0.00 174.94 175.44 2fwi s MET 28 N -2.22 0.80 0.38 0.37 0.23 -0.86 -1.05 119.30 116.94 2fwi s MET 28 Ca 0.12 -0.64 0.20 0.00 -1.03 0.00 0.00 55.69 54.35 2fwi s MET 28 Cb -0.09 0.34 0.49 0.00 -1.53 0.00 0.00 34.83 34.05 2fwi s MET 28 CO 0.06 -0.25 1.64 0.78 -2.03 0.00 0.00 175.02 175.22 2fwi h GLY 29 N 3.15 0.00 -2.34 3.16 0.00 -1.57 0.59 103.07 106.05 2fwi h GLY 29 Ca -0.32 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.10 2fwi h GLY 29 CO 0.48 0.00 0.33 -1.35 0.00 0.00 0.00 176.54 176.01 2fwi s SER 30 N -6.29 -0.28 0.32 0.19 1.04 -1.26 -4.30 113.70 103.12 2fwi s SER 30 Ca 0.03 -0.42 0.07 0.00 0.48 0.00 0.00 55.95 56.11 2fwi s SER 30 Cb 0.08 0.61 0.77 0.00 0.10 0.00 0.00 66.02 67.58 2fwi s SER 30 CO 0.68 -1.10 1.80 -0.61 0.98 0.00 0.00 173.24 175.00 2fwi h GLN 31 N 2.00 0.72 -0.05 4.02 5.75 -2.00 -1.72 115.11 123.83 2fwi h GLN 31 Ca -0.23 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.24 2fwi h GLN 31 Cb 1.25 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 2fwi h GLN 31 CO 0.26 0.48 0.09 0.66 -2.65 0.00 0.00 178.83 177.67 2fwi h SER 32 N 0.74 0.00 1.55 -0.69 4.64 -2.01 -0.14 113.55 117.64 2fwi h SER 32 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2fwi h SER 32 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2fwi h SER 32 CO -0.32 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.08 2fwi h ASP 33 N 0.00 0.00 -0.53 4.97 3.32 -1.71 -3.35 116.42 119.12 2fwi h ASP 33 Ca 0.02 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 2fwi h ASP 33 Cb 0.20 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2fwi h ASP 33 CO -0.00 0.00 0.12 -0.25 -1.72 0.00 0.00 179.24 177.39 2fwi h TRP 34 N 0.00 0.94 -0.93 4.55 2.91 -1.10 0.28 115.95 122.59 2fwi h TRP 34 Ca 0.00 -0.10 0.17 0.00 1.13 0.00 0.00 58.89 60.09 2fwi h TRP 34 Cb 0.77 -0.27 -0.08 0.00 -0.51 0.00 0.00 29.16 29.07 2fwi h TRP 34 CO 0.00 0.79 0.60 1.49 -1.03 0.00 0.00 178.44 180.29 2fwi h GLU 35 N 0.86 0.62 0.03 2.65 4.57 -1.75 0.12 114.58 121.69 2fwi h GLU 35 Ca 0.18 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 2fwi h GLU 35 Cb 0.34 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2fwi h GLU 35 CO 0.00 0.41 -0.17 1.15 -1.18 0.00 0.00 179.01 179.22 2fwi h THR 36 N 0.64 1.73 0.00 0.32 2.02 -1.69 -3.39 112.91 112.54 2fwi h THR 36 Ca 0.49 -2.36 -0.02 0.00 0.77 0.00 0.00 66.41 65.30 2fwi h THR 36 Cb 0.89 3.33 -0.00 0.00 -1.74 0.00 0.00 68.15 70.63 2fwi h THR 36 CO -0.24 0.63 -0.08 0.24 0.37 0.00 0.00 175.52 176.43 2fwi h MET 37 N -0.85 0.00 -0.88 6.66 2.86 -0.30 -2.97 114.93 119.45 2fwi h MET 37 Ca -0.03 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.84 2fwi h MET 37 Cb 1.12 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.73 2fwi h MET 37 CO 0.03 0.08 0.61 0.07 1.06 0.00 0.00 176.91 178.76 2fwi h ARG 38 N 0.00 0.18 -0.08 1.72 0.11 -0.98 -0.85 114.38 114.48 2fwi h ARG 38 Ca -0.00 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.01 2fwi h ARG 38 Cb 0.79 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.82 2fwi h ARG 38 CO 0.01 0.12 -0.22 0.45 0.10 0.00 0.00 179.97 180.43 2fwi h HIS 39 N 0.19 0.14 -0.08 4.08 3.86 -1.78 0.86 115.15 122.42 2fwi h HIS 39 Ca 0.44 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.54 2fwi h HIS 39 Cb 1.43 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.86 2fwi h HIS 39 CO -0.00 0.35 -0.31 0.00 0.86 0.00 0.00 177.93 178.83 2fwi h ALA 40 N 1.66 0.14 -0.11 2.45 0.00 -1.26 -2.75 119.26 119.39 2fwi h ALA 40 Ca 0.02 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.54 2fwi h ALA 40 Cb 0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2fwi h ALA 40 CO 0.03 0.18 -0.12 0.22 0.00 0.00 0.00 179.25 179.57 2fwi h ASP 41 N -0.13 -0.37 -0.58 0.00 3.58 -1.15 -1.74 116.42 116.03 2fwi h ASP 41 Ca -0.02 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.54 2fwi h ASP 41 Cb 0.94 0.18 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 2fwi h ASP 41 CO 0.06 -0.16 0.33 0.00 -2.88 0.00 0.00 179.24 176.60 2fwi h ALA 42 N 0.92 0.75 -0.51 -0.78 0.00 -0.92 -1.70 119.26 117.03 2fwi h ALA 42 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2fwi h ALA 42 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2fwi h ALA 42 CO -0.20 0.03 -0.11 1.25 0.00 0.00 0.00 179.25 180.22 2fwi h LEU 43 N 0.65 0.98 -0.64 0.00 5.85 -1.28 -0.37 115.31 120.50 2fwi h LEU 43 Ca 0.24 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2fwi h LEU 43 Cb 0.08 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2fwi h LEU 43 CO -0.13 1.11 0.37 -0.07 -0.34 0.00 0.00 178.44 179.37 2fwi h LEU 44 N 0.84 0.79 -0.10 2.25 3.38 -1.02 -1.33 115.31 120.12 2fwi h LEU 44 Ca 0.13 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2fwi h LEU 44 Cb 0.67 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2fwi h LEU 44 CO 0.05 0.64 0.04 0.74 0.09 0.00 0.00 178.44 180.00 2fwi h THR 45 N 0.87 0.99 -0.91 0.22 2.02 -1.17 0.19 112.91 115.11 2fwi h THR 45 Ca 0.23 -0.03 0.18 0.00 0.77 0.00 0.00 66.41 67.55 2fwi h THR 45 Cb 0.01 0.88 -0.10 0.00 -1.74 0.00 0.00 68.15 67.20 2fwi h THR 45 CO -0.04 0.02 0.49 -0.08 0.37 0.00 0.00 175.52 176.28 2fwi h GLU 46 N 0.09 0.61 -0.14 6.66 4.81 -0.74 0.38 114.58 126.26 2fwi h GLU 46 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2fwi h GLU 46 Cb 0.02 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2fwi h GLU 46 CO -0.04 0.40 0.00 1.28 -0.73 0.00 0.00 179.01 179.93 2fwi n LEU 47 N -4.87 1.34 -3.33 1.64 4.77 -0.53 -4.92 117.00 111.10 2fwi n LEU 47 Ca 0.20 -0.57 -0.20 0.00 -0.03 0.00 0.00 56.01 55.42 2fwi n LEU 47 Cb 0.53 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 2fwi n LEU 47 CO 0.20 0.28 0.18 -0.62 -1.33 0.00 0.00 177.39 176.10 2fwi n GLU 48 N 0.11 -6.94 -3.57 3.23 1.02 0.12 -4.97 120.64 109.64 2fwi n GLU 48 Ca 0.15 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.66 2fwi n GLU 48 Cb 0.27 -5.64 -0.11 0.00 -0.02 0.00 0.00 31.44 25.95 2fwi n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2fwi s ILE 49 N -3.31 4.79 0.23 -3.67 1.01 0.58 -5.02 121.20 115.81 2fwi s ILE 49 Ca 0.34 -0.70 -0.32 0.00 0.00 0.00 0.00 60.65 59.97 2fwi s ILE 49 Cb -0.15 -3.62 -0.12 0.00 0.01 0.00 0.00 42.46 38.58 2fwi s ILE 49 CO 0.68 -0.19 1.70 -2.84 0.00 0.00 0.00 174.94 174.29 2fwi s PRO 50 N 1.60 4.12 0.20 2.79 0.02 -1.26 -4.36 135.00 138.10 2fwi s PRO 50 Ca 0.03 2.61 -0.15 0.00 0.02 0.00 0.00 61.00 63.52 2fwi s PRO 50 Cb -0.19 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.29 2fwi s PRO 50 CO 0.08 -0.73 0.47 -3.38 -0.33 0.00 0.00 177.00 173.10 2fwi s HIS 51 N 0.90 0.06 0.13 6.54 -3.43 -1.26 -0.48 115.29 117.75 2fwi s HIS 51 Ca 0.72 -0.42 0.10 0.00 -0.80 0.00 0.00 55.06 54.66 2fwi s HIS 51 Cb -0.50 0.27 -0.04 0.00 -1.43 0.00 0.00 32.58 30.89 2fwi s HIS 51 CO 0.36 -0.89 -0.20 -1.83 -2.00 0.00 0.00 174.74 170.18 2fwi s GLU 52 N -3.92 1.70 -0.17 -0.38 -1.05 -0.66 -4.83 118.70 109.39 2fwi s GLU 52 Ca 0.13 -1.24 -0.01 0.00 -0.15 0.00 0.00 54.97 53.70 2fwi s GLU 52 Cb -0.00 -2.05 0.04 0.00 -0.44 0.00 0.00 34.13 31.68 2fwi s GLU 52 CO -0.00 0.47 -0.04 0.99 0.95 0.00 0.00 175.26 177.63 2fwi s THR 53 N -1.19 0.99 0.11 1.83 2.01 -1.26 -0.45 115.64 117.67 2fwi s THR 53 Ca 0.18 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.62 2fwi s THR 53 Cb -0.10 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 2fwi s THR 53 CO 0.10 0.08 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.26 2fwi s LEU 54 N 1.68 2.47 -0.25 4.42 1.43 -0.08 -5.01 118.68 123.34 2fwi s LEU 54 Ca 0.01 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 2fwi s LEU 54 Cb -0.15 -0.22 -0.05 0.00 0.03 0.00 0.00 46.19 45.80 2fwi s LEU 54 CO -0.07 -0.35 0.22 -0.63 0.23 0.00 0.00 176.35 175.75 2fwi s ILE 55 N -3.04 5.31 -0.09 -0.59 1.01 -1.26 -2.02 121.20 120.51 2fwi s ILE 55 Ca 0.10 0.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.02 2fwi s ILE 55 Cb 0.01 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.95 2fwi s ILE 55 CO -0.02 0.29 0.02 -0.69 0.00 0.00 0.00 174.94 174.54 2fwi s VAL 56 N 1.37 0.32 -0.31 2.92 1.01 0.20 -4.90 120.40 121.00 2fwi s VAL 56 Ca 0.10 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 2fwi s VAL 56 Cb -0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2fwi s VAL 56 CO 0.07 0.16 0.25 -0.55 0.00 0.00 0.00 175.10 175.03 2fwi s SER 57 N 1.99 6.08 0.27 3.32 0.15 -1.26 -3.65 113.70 120.60 2fwi s SER 57 Ca 0.04 -0.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.47 2fwi s SER 57 Cb -0.13 -2.15 0.34 0.00 -1.71 0.00 0.00 66.02 62.37 2fwi s SER 57 CO -0.06 -0.18 1.93 0.00 1.20 0.00 0.00 173.24 176.14 2fwi h ALA 58 N 8.41 1.32 0.19 5.45 0.00 -1.89 0.83 119.26 133.57 2fwi h ALA 58 Ca -0.32 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.18 2fwi h ALA 58 Cb 1.17 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2fwi h ALA 58 CO 0.61 0.61 -1.57 -0.44 0.00 0.00 0.00 179.25 178.47 2fwi h ASP 59 N 1.23 0.62 0.16 0.00 5.19 -1.96 -3.29 116.42 118.37 2fwi h ASP 59 Ca 0.33 -0.78 -0.32 0.00 -0.62 0.00 0.00 57.03 55.64 2fwi h ASP 59 Cb -0.10 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 39.15 2fwi h ASP 59 CO -0.07 1.64 -2.14 0.54 -3.12 0.00 0.00 179.24 176.09 2fwi n ARG 60 N -3.59 0.67 -3.06 3.56 1.74 -1.23 -4.61 116.66 110.13 2fwi n ARG 60 Ca -0.19 0.07 -0.24 0.00 -0.77 0.00 0.00 57.85 56.73 2fwi n ARG 60 Cb 1.07 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 30.87 2fwi n ARG 60 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2fwi n THR 61 N -2.80 1.74 -0.21 0.55 -2.24 0.28 -4.95 114.28 106.65 2fwi n THR 61 Ca -0.26 -5.15 -0.01 0.00 -2.27 0.00 0.00 64.05 56.36 2fwi n THR 61 Cb 1.08 -1.04 0.21 0.00 -2.10 0.00 0.00 70.33 68.48 2fwi n THR 61 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2fwi h PRO 62 N 3.08 0.99 -0.09 -0.78 0.13 -1.62 -1.31 132.00 132.41 2fwi h PRO 62 Ca 0.12 -0.10 -0.14 0.00 -0.87 0.00 0.00 66.00 65.01 2fwi h PRO 62 Cb 0.69 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2fwi h PRO 62 CO 0.69 0.72 -0.58 -0.44 -0.23 0.00 0.00 178.00 178.16 2fwi h ASP 63 N 1.00 0.31 -0.46 1.44 3.32 -1.91 -0.61 116.42 119.51 2fwi h ASP 63 Ca 0.26 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2fwi h ASP 63 Cb 0.01 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2fwi h ASP 63 CO -0.04 0.82 0.27 -0.09 -1.72 0.00 0.00 179.24 178.48 2fwi h ARG 64 N 0.21 0.62 -0.34 3.56 2.43 -1.78 -1.22 114.38 117.86 2fwi h ARG 64 Ca -0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2fwi h ARG 64 Cb 1.08 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 2fwi h ARG 64 CO 0.09 0.46 0.18 1.25 -1.51 0.00 0.00 179.97 180.45 2fwi h LEU 65 N 0.60 0.43 -0.31 3.80 5.85 -1.04 0.13 115.31 124.77 2fwi h LEU 65 Ca 0.16 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2fwi h LEU 65 Cb 0.00 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2fwi h LEU 65 CO -0.03 0.40 0.09 0.00 -0.34 0.00 0.00 178.44 178.55 2fwi h ALA 66 N 1.05 0.34 -0.48 1.25 0.00 -0.95 0.62 119.26 121.10 2fwi h ALA 66 Ca 0.12 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2fwi h ALA 66 Cb 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2fwi h ALA 66 CO -0.02 -0.32 -0.00 0.22 0.00 0.00 0.00 179.25 179.13 2fwi h ASP 67 N 0.21 0.83 -0.10 0.00 3.58 -1.09 -0.57 116.42 119.27 2fwi h ASP 67 Ca 0.14 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.29 2fwi h ASP 67 Cb 0.13 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2fwi h ASP 67 CO -0.17 0.93 0.03 0.22 -2.88 0.00 0.00 179.24 177.38 2fwi h TYR 68 N 0.70 0.05 -0.21 0.28 3.20 -0.23 -2.05 116.97 118.72 2fwi h TYR 68 Ca 0.14 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.84 2fwi h TYR 68 Cb 0.51 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.77 2fwi h TYR 68 CO 0.04 0.03 -0.52 0.00 -1.64 0.00 0.00 178.16 176.06 2fwi h ALA 69 N 1.07 0.34 -0.95 1.82 0.00 -0.83 -2.61 119.26 118.11 2fwi h ALA 69 Ca 0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2fwi h ALA 69 Cb 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2fwi h ALA 69 CO -0.05 0.54 0.59 -0.09 0.00 0.00 0.00 179.25 180.23 2fwi h ARG 70 N 0.43 1.27 -0.02 0.00 2.43 -1.08 -2.98 114.38 114.44 2fwi h ARG 70 Ca -0.01 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2fwi h ARG 70 Cb 1.14 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2fwi h ARG 70 CO 0.11 0.88 -0.04 0.25 -1.51 0.00 0.00 179.97 179.66 2fwi n THR 71 N -4.36 0.00 -0.03 0.20 -2.24 -0.78 -4.55 114.28 102.52 2fwi n THR 71 Ca 0.11 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 2fwi n THR 71 Cb 0.05 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 2fwi n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fwi h ALA 72 N 4.38 0.18 -0.63 6.98 0.00 -1.30 -1.08 119.26 127.79 2fwi h ALA 72 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2fwi h ALA 72 Cb 0.64 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2fwi h ALA 72 CO 0.00 -0.40 0.14 0.00 0.00 0.00 0.00 179.25 178.99 2fwi h ALA 73 N 1.13 0.84 0.00 0.00 0.00 -1.80 -1.71 119.26 117.72 2fwi h ALA 73 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2fwi h ALA 73 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2fwi h ALA 73 CO -0.11 0.56 -0.38 1.05 0.00 0.00 0.00 179.25 180.37 2fwi h GLU 74 N 0.94 0.00 0.00 0.00 4.11 -1.79 -1.36 114.58 116.48 2fwi h GLU 74 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2fwi h GLU 74 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2fwi h GLU 74 CO 0.00 0.38 0.00 0.54 0.07 0.00 0.00 179.01 180.00 2fwi n ARG 75 N -3.63 0.64 -0.25 1.06 1.74 -0.44 -4.90 116.66 110.89 2fwi n ARG 75 Ca -0.01 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2fwi n ARG 75 Cb 0.49 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2fwi n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2fwi n GLY 76 N 0.74 0.68 3.77 -0.13 0.00 -0.51 -4.89 105.19 104.85 2fwi n GLY 76 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2fwi n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fwi s LEU 77 N 0.00 4.07 -0.09 0.99 1.43 -0.67 -4.58 118.68 119.83 2fwi s LEU 77 Ca 0.00 2.44 0.07 0.00 -1.03 0.00 0.00 54.13 55.61 2fwi s LEU 77 Cb 0.00 -4.14 -0.10 0.00 0.03 0.00 0.00 46.19 41.98 2fwi s LEU 77 CO 0.00 -0.94 0.02 0.59 0.23 0.00 0.00 176.35 176.25 2fwi n ASN 78 N -0.33 2.89 -3.90 2.29 4.13 0.15 -4.40 115.26 116.10 2fwi n ASN 78 Ca 0.06 -0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.20 2fwi n ASN 78 Cb 0.46 0.65 -0.14 0.00 -1.54 0.00 0.00 39.78 39.22 2fwi n ASN 78 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2fwi s VAL 79 N -2.21 0.08 -0.14 2.41 1.01 -1.05 -4.25 120.40 116.25 2fwi s VAL 79 Ca -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2fwi s VAL 79 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 2fwi s VAL 79 CO 0.35 -0.03 -0.10 -0.63 0.00 0.00 0.00 175.10 174.69 2fwi s ILE 80 N -0.16 3.29 -0.23 2.22 1.01 -0.90 -1.23 121.20 125.19 2fwi s ILE 80 Ca -0.01 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 2fwi s ILE 80 Cb -0.01 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 2fwi s ILE 80 CO -0.00 0.51 0.04 -0.63 0.00 0.00 0.00 174.94 174.86 2fwi s ILE 81 N 0.44 4.11 -0.08 2.92 1.01 0.73 -0.56 121.20 129.77 2fwi s ILE 81 Ca -0.08 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2fwi s ILE 81 Cb -0.15 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.42 2fwi s ILE 81 CO 0.04 0.37 -0.18 0.00 0.00 0.00 0.00 174.94 175.17 2fwi s ALA 82 N 1.45 1.74 -0.04 9.38 0.00 0.07 -0.45 121.76 133.90 2fwi s ALA 82 Ca 0.05 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2fwi s ALA 82 Cb -0.15 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2fwi s ALA 82 CO 0.02 0.19 -0.22 0.20 0.00 0.00 0.00 175.76 175.96 2fwi s GLY 83 N 0.51 1.11 0.05 0.00 0.00 -0.22 -0.61 107.32 108.16 2fwi s GLY 83 Ca -0.16 -0.90 -0.27 0.00 0.00 0.00 0.00 44.72 43.38 2fwi s GLY 83 CO 0.06 -0.59 0.82 0.00 0.00 0.00 0.00 173.10 173.39 2fwi s ALA 84 N -0.20 -1.75 0.37 3.20 0.00 -1.00 -2.65 121.76 119.73 2fwi s ALA 84 Ca -0.00 0.83 0.04 0.00 0.00 0.00 0.00 51.96 52.83 2fwi s ALA 84 Cb -0.12 0.55 -0.06 0.00 0.00 0.00 0.00 23.12 23.49 2fwi s ALA 84 CO 0.02 -0.73 0.05 0.20 0.00 0.00 0.00 175.76 175.30 2fwi s GLY 85 N -2.57 2.33 0.00 0.00 0.00 -1.26 -1.17 107.32 104.64 2fwi s GLY 85 Ca 0.04 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.88 2fwi s GLY 85 CO -0.09 -1.92 0.00 0.61 0.00 0.00 0.00 173.10 171.70 2fwi n GLY 86 N -0.83 1.43 3.39 0.20 0.00 -1.26 -3.79 105.19 104.33 2fwi n GLY 86 Ca -0.05 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 2fwi n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fwi n ALA 87 N 9.44 3.45 -2.57 4.61 0.00 -1.26 -1.84 120.51 132.34 2fwi n ALA 87 Ca 0.00 -3.60 -0.42 0.00 0.00 0.00 0.00 53.44 49.42 2fwi n ALA 87 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 15.85 2fwi n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fwi s ALA 88 N 5.80 2.86 -0.73 0.00 0.00 -1.25 -4.84 121.76 123.60 2fwi s ALA 88 Ca 0.57 -1.15 0.22 0.00 0.00 0.00 0.00 51.96 51.59 2fwi s ALA 88 Cb 0.06 -4.16 -0.21 0.00 0.00 0.00 0.00 23.12 18.81 2fwi s ALA 88 CO 0.07 -3.02 0.83 0.72 0.00 0.00 0.00 175.76 174.36 2fwi n HIS 89 N 8.95 0.02 0.15 0.00 8.25 -1.26 -4.27 115.22 127.06 2fwi n HIS 89 Ca 0.05 0.01 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 2fwi n HIS 89 Cb 0.49 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 2fwi n HIS 89 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2fwi h LEU 90 N 0.00 -0.72 -0.66 2.41 5.85 -1.94 -0.65 115.31 119.60 2fwi h LEU 90 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2fwi h LEU 90 Cb 0.64 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 2fwi h LEU 90 CO 0.00 -0.37 0.42 -0.65 -0.34 0.00 0.00 178.44 177.50 2fwi h PRO 91 N -0.52 0.89 -0.35 5.25 0.11 -1.83 -1.14 132.00 134.41 2fwi h PRO 91 Ca 0.01 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 2fwi h PRO 91 Cb 0.51 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2fwi h PRO 91 CO -0.10 0.62 0.08 0.78 -0.21 0.00 0.00 178.00 179.17 2fwi h GLY 92 N 0.90 0.60 1.57 -0.55 0.00 -1.79 -1.13 103.07 102.67 2fwi h GLY 92 Ca 0.24 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 2fwi h GLY 92 CO -0.05 0.36 -0.45 -0.33 0.00 0.00 0.00 176.54 176.07 2fwi h MET 93 N 0.41 0.47 -0.15 4.80 2.86 -1.09 -1.25 114.93 120.98 2fwi h MET 93 Ca 0.11 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2fwi h MET 93 Cb 0.31 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2fwi h MET 93 CO 0.00 0.83 -0.07 0.00 1.06 0.00 0.00 176.91 178.73 2fwi h ALA 95 N 1.07 1.78 -0.16 0.00 0.00 -0.93 -1.96 119.26 119.06 2fwi h ALA 95 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2fwi h ALA 95 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2fwi h ALA 95 CO -0.18 0.17 0.11 0.00 0.00 0.00 0.00 179.25 179.35 2fwi h ALA 96 N 1.83 1.95 0.00 0.00 0.00 -0.83 -3.20 119.26 119.02 2fwi h ALA 96 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2fwi h ALA 96 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2fwi h ALA 96 CO -0.00 0.03 -1.50 0.91 0.00 0.00 0.00 179.25 178.69 2fwi n TRP 97 N -4.51 0.00 -4.17 0.00 8.01 -0.81 -4.98 117.44 110.98 2fwi n TRP 97 Ca -0.00 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.90 2fwi n TRP 97 Cb 0.12 -0.28 -0.09 0.00 -2.01 0.00 0.00 31.31 29.06 2fwi n TRP 97 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 2fwi s THR 98 N -3.01 3.73 -1.12 -0.99 -1.32 -0.80 -3.98 115.64 108.15 2fwi s THR 98 Ca -0.03 -1.17 0.26 0.00 -1.21 0.00 0.00 61.69 59.54 2fwi s THR 98 Cb 0.11 -2.79 0.07 0.00 -1.51 0.00 0.00 72.50 68.39 2fwi s THR 98 CO 0.70 0.07 1.48 0.54 -2.21 0.00 0.00 174.62 175.21 2fwi n ARG 99 N 0.49 0.14 -1.52 7.08 5.12 -1.26 -4.80 116.66 121.90 2fwi n ARG 99 Ca -0.11 -0.08 -0.33 0.00 -1.93 0.00 0.00 57.85 55.40 2fwi n ARG 99 Cb 0.53 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.40 2fwi n ARG 99 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2fwi s LEU 100 N -2.91 3.26 0.18 0.55 1.43 -1.26 -4.98 118.68 114.95 2fwi s LEU 100 Ca 0.14 2.02 -0.31 0.00 -1.03 0.00 0.00 54.13 54.95 2fwi s LEU 100 Cb 0.18 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.75 2fwi s LEU 100 CO 0.66 -1.92 1.51 -2.16 0.23 0.00 0.00 176.35 174.67 2fwi s PRO 101 N -4.29 4.24 -0.12 1.29 0.04 -1.26 -4.94 135.00 129.97 2fwi s PRO 101 Ca 0.67 2.31 0.01 0.00 0.04 0.00 0.00 61.00 64.03 2fwi s PRO 101 Cb -0.21 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 2fwi s PRO 101 CO 0.46 -0.54 -0.16 0.08 0.04 0.00 0.00 177.00 176.89 2fwi s VAL 102 N 0.80 2.82 -0.08 -0.36 1.01 -1.26 -2.12 120.40 121.20 2fwi s VAL 102 Ca 0.66 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2fwi s VAL 102 Cb -0.42 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2fwi s VAL 102 CO 0.35 0.54 -0.09 -0.76 0.00 0.00 0.00 175.10 175.13 2fwi s LEU 103 N 0.27 3.00 -0.10 3.92 1.43 0.28 -1.53 118.68 125.94 2fwi s LEU 103 Ca -0.11 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2fwi s LEU 103 Cb -0.16 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2fwi s LEU 103 CO 0.06 0.30 -0.16 -0.83 0.23 0.00 0.00 176.35 175.95 2fwi s GLY 104 N -0.47 1.48 -0.27 -3.19 0.00 0.12 -0.75 107.32 104.24 2fwi s GLY 104 Ca 0.06 -0.94 -0.05 0.00 0.00 0.00 0.00 44.72 43.79 2fwi s GLY 104 CO 0.02 -0.39 0.03 0.14 0.00 0.00 0.00 173.10 172.90 2fwi s VAL 105 N 0.06 3.70 -0.30 1.40 1.01 0.22 -1.17 120.40 125.31 2fwi s VAL 105 Ca -0.07 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 2fwi s VAL 105 Cb -0.15 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2fwi s VAL 105 CO 0.05 0.19 1.30 -2.84 0.00 0.00 0.00 175.10 173.80 2fwi s PRO 106 N 1.48 3.90 0.06 2.72 0.02 -1.26 -2.38 135.00 139.54 2fwi s PRO 106 Ca 0.03 1.23 -0.26 0.00 0.02 0.00 0.00 61.00 62.02 2fwi s PRO 106 Cb -0.16 -3.88 -0.06 0.00 0.02 0.00 0.00 34.50 30.42 2fwi s PRO 106 CO 0.00 -1.13 0.79 0.08 -0.33 0.00 0.00 177.00 176.41 2fwi s VAL 107 N 4.40 4.69 0.23 3.83 1.01 -0.32 -0.65 120.40 133.58 2fwi s VAL 107 Ca 0.56 1.69 -0.31 0.00 0.00 0.00 0.00 61.98 63.93 2fwi s VAL 107 Cb -0.16 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 2fwi s VAL 107 CO 0.23 0.36 1.61 -0.70 0.00 0.00 0.00 175.10 176.61 2fwi s GLU 108 N -0.09 4.16 0.24 2.72 2.12 -1.26 -4.35 118.70 122.24 2fwi s GLU 108 Ca 0.40 2.50 0.05 0.00 0.36 0.00 0.00 54.97 58.28 2fwi s GLU 108 Cb -0.21 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 2fwi s GLU 108 CO 0.24 -0.64 0.36 -1.54 -0.54 0.00 0.00 175.26 173.14 2fwi s SER 109 N 0.87 6.32 0.02 -1.70 1.04 -1.26 -4.73 113.70 114.25 2fwi s SER 109 Ca 0.68 0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.91 2fwi s SER 109 Cb -0.47 -1.86 -0.16 0.00 0.10 0.00 0.00 66.02 63.63 2fwi s SER 109 CO 0.38 -0.07 1.18 -0.09 0.98 0.00 0.00 173.24 175.62 2fwi h ARG 110 N 1.20 -0.98 0.15 4.02 2.43 -1.96 -1.95 114.38 117.28 2fwi h ARG 110 Ca -0.52 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 2fwi h ARG 110 Cb 1.23 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2fwi h ARG 110 CO 0.61 -0.65 -0.07 0.00 -1.51 0.00 0.00 179.97 178.35 2fwi h ALA 111 N -1.30 -0.20 -0.47 2.80 0.00 -2.04 -3.36 119.26 114.70 2fwi h ALA 111 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2fwi h ALA 111 Cb 0.78 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2fwi h ALA 111 CO 0.17 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.45 2fwi n LEU 112 N -4.89 3.08 -2.21 0.00 4.77 -1.26 -4.94 117.00 111.56 2fwi n LEU 112 Ca -0.07 -1.44 -0.19 0.00 -0.03 0.00 0.00 56.01 54.28 2fwi n LEU 112 Cb 0.25 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2fwi n LEU 112 CO 0.22 0.72 -0.24 0.29 -1.33 0.00 0.00 177.39 177.06 2fwi n LYS 113 N 1.21 -1.64 -0.82 3.23 4.76 -0.73 -1.13 118.16 123.04 2fwi n LYS 113 Ca 0.19 0.93 0.00 0.00 -2.87 0.00 0.00 58.31 56.56 2fwi n LYS 113 Cb 0.52 -5.50 0.00 0.00 -1.84 0.00 0.00 35.03 28.21 2fwi n LYS 113 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fwi n GLY 114 N -1.03 0.85 0.28 0.72 0.00 -1.24 -4.51 105.19 100.25 2fwi n GLY 114 Ca -0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 2fwi n GLY 114 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2fwi h MET 115 N 3.00 0.88 -0.34 1.61 2.86 -1.49 0.11 114.93 121.55 2fwi h MET 115 Ca 0.00 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.29 2fwi h MET 115 Cb 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2fwi h MET 115 CO 0.00 0.97 0.11 0.38 1.06 0.00 0.00 176.91 179.43 2fwi h ASP 116 N 0.78 0.50 -0.17 1.22 3.04 -1.84 -2.12 116.42 117.83 2fwi h ASP 116 Ca 0.12 -0.20 0.05 0.00 -3.24 0.00 0.00 57.03 53.76 2fwi h ASP 116 Cb 0.67 -0.13 -0.05 0.00 -1.04 0.00 0.00 39.33 38.78 2fwi h ASP 116 CO 0.05 0.56 -0.17 0.28 -2.04 0.00 0.00 179.24 177.92 2fwi h SER 117 N 0.40 -0.53 0.45 4.15 0.02 -1.17 -0.52 113.55 116.35 2fwi h SER 117 Ca 0.11 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2fwi h SER 117 Cb 0.24 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2fwi h SER 117 CO -0.00 -0.21 -0.31 0.25 -1.14 0.00 0.00 176.83 175.41 2fwi h LEU 118 N -0.19 -0.79 -0.86 5.07 5.85 -0.74 -2.15 115.31 121.49 2fwi h LEU 118 Ca 0.11 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2fwi h LEU 118 Cb 0.36 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2fwi h LEU 118 CO -0.28 -0.47 0.38 -0.07 -0.34 0.00 0.00 178.44 177.66 2fwi h LEU 119 N -0.74 1.10 -2.19 2.25 3.38 -1.32 0.11 115.31 117.90 2fwi h LEU 119 Ca -0.05 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.81 2fwi h LEU 119 Cb 0.62 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2fwi h LEU 119 CO 0.03 0.94 0.09 0.28 0.09 0.00 0.00 178.44 179.87 2fwi h SER 120 N 1.19 0.00 0.00 -0.43 0.02 -1.01 -2.84 113.55 110.49 2fwi h SER 120 Ca 0.28 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.85 2fwi h SER 120 Cb 0.14 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 2fwi h SER 120 CO -0.03 0.00 -2.11 -0.38 -1.14 0.00 0.00 176.83 173.17 2fwi n ILE 121 N -4.15 1.54 0.10 3.27 5.41 -0.80 -4.67 119.36 120.05 2fwi n ILE 121 Ca -0.00 -0.29 -0.04 0.00 1.00 0.00 0.00 62.75 63.42 2fwi n ILE 121 Cb 0.20 -1.91 0.03 0.00 -0.71 0.00 0.00 39.64 37.26 2fwi n ILE 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 2fwi h VAL 122 N -0.92 1.56 -0.19 1.39 3.04 -0.86 -3.34 116.25 116.93 2fwi h VAL 122 Ca -0.58 -2.74 -0.11 0.00 -1.01 0.00 0.00 66.70 62.26 2fwi h VAL 122 Cb 1.54 2.48 -0.06 0.00 -2.01 0.00 0.00 31.29 33.25 2fwi h VAL 122 CO -0.33 0.78 0.14 0.00 -1.01 0.00 0.00 177.57 177.15 2fwi n GLN 123 N -3.57 1.27 -1.74 4.17 1.13 -1.07 -4.90 117.38 112.66 2fwi n GLN 123 Ca -0.01 -0.59 -0.42 0.00 -1.94 0.00 0.00 57.00 54.05 2fwi n GLN 123 Cb 0.77 -1.23 -0.00 0.00 0.11 0.00 0.00 30.24 29.89 2fwi n GLN 123 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 2fwi n MET 124 N 0.48 2.42 -1.60 -1.09 2.81 -1.25 -4.98 117.12 113.90 2fwi n MET 124 Ca 0.12 0.85 -0.33 0.00 -1.81 0.00 0.00 57.70 56.52 2fwi n MET 124 Cb 0.66 -2.51 0.07 0.00 -0.71 0.00 0.00 33.22 30.73 2fwi n MET 124 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2fwi s PRO 125 N -2.00 2.49 0.21 0.03 0.04 -1.26 -4.94 135.00 129.58 2fwi s PRO 125 Ca 0.54 1.53 -0.32 0.00 0.04 0.00 0.00 61.00 62.79 2fwi s PRO 125 Cb -0.52 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 31.98 2fwi s PRO 125 CO 0.63 -1.51 1.42 0.41 0.04 0.00 0.00 177.00 177.99 2fwi n GLY 126 N -0.17 0.78 0.00 0.56 0.00 -1.26 -2.93 105.19 102.17 2fwi n GLY 126 Ca 0.11 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2fwi n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fwi n GLY 127 N 2.41 1.28 2.58 -0.02 0.00 -1.26 -5.03 105.19 105.15 2fwi n GLY 127 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2fwi n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fwi s VAL 128 N -1.56 0.68 0.40 1.61 1.01 -1.15 -5.11 120.40 116.27 2fwi s VAL 128 Ca 0.00 -1.98 -0.23 0.00 0.00 0.00 0.00 61.98 59.76 2fwi s VAL 128 Cb 0.00 -1.49 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 2fwi s VAL 128 CO 0.00 -0.92 1.01 -2.84 0.00 0.00 0.00 175.10 172.34 2fwi s PRO 129 N 0.86 4.22 -0.11 2.72 0.02 -1.26 -4.63 135.00 136.84 2fwi s PRO 129 Ca 0.17 1.38 -0.00 0.00 0.02 0.00 0.00 61.00 62.56 2fwi s PRO 129 Cb -0.23 -2.47 0.02 0.00 0.02 0.00 0.00 34.50 31.84 2fwi s PRO 129 CO -0.02 -0.06 -0.07 0.08 -0.33 0.00 0.00 177.00 176.59 2fwi s VAL 130 N -1.79 0.96 -0.46 3.83 1.01 -1.26 -4.65 120.40 118.03 2fwi s VAL 130 Ca 0.58 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 2fwi s VAL 130 Cb -0.18 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2fwi s VAL 130 CO 0.23 0.36 1.30 -0.83 0.00 0.00 0.00 175.10 176.16 2fwi s GLY 131 N 1.69 1.14 -0.12 4.51 0.00 -0.58 -4.82 107.32 109.14 2fwi s GLY 131 Ca 0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 2fwi s GLY 131 CO -0.07 2.63 0.13 -1.59 0.00 0.00 0.00 173.10 174.19 2fwi s THR 132 N 5.13 5.40 0.55 0.90 2.01 -1.26 0.16 115.64 128.53 2fwi s THR 132 Ca 0.54 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.75 2fwi s THR 132 Cb -0.10 -3.35 0.04 0.00 0.01 0.00 0.00 72.50 69.10 2fwi s THR 132 CO 0.31 0.61 0.33 0.18 -0.69 0.00 0.00 174.62 175.37 2fwi n LEU 133 N 2.03 0.00 -4.71 4.42 7.99 -0.32 -4.92 117.00 121.49 2fwi n LEU 133 Ca -0.20 -2.97 -0.34 0.00 -0.01 0.00 0.00 56.01 52.49 2fwi n LEU 133 Cb 0.55 0.04 0.11 0.00 -0.11 0.00 0.00 43.42 44.01 2fwi n LEU 133 CO 0.31 -0.56 0.80 0.00 -1.51 0.00 0.00 177.39 176.42 2fwi s ALA 134 N -2.82 2.02 0.21 -1.18 0.00 -1.26 -4.40 121.76 114.32 2fwi s ALA 134 Ca 0.25 0.90 -0.32 0.00 0.00 0.00 0.00 51.96 52.79 2fwi s ALA 134 Cb -0.02 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 2fwi s ALA 134 CO 0.16 -2.04 1.60 -0.89 0.00 0.00 0.00 175.76 174.58 2fwi n ILE 135 N -2.90 0.29 -2.41 0.00 5.41 -1.26 -3.09 119.36 115.40 2fwi n ILE 135 Ca 0.14 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2fwi n ILE 135 Cb 0.50 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 2fwi n ILE 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2fwi n GLY 136 N 3.21 -1.45 0.36 7.39 0.00 0.17 -4.24 105.19 110.63 2fwi n GLY 136 Ca 0.15 -1.56 0.02 0.00 0.00 0.00 0.00 46.02 44.63 2fwi n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fwi h ALA 137 N 0.00 1.34 -0.77 4.61 0.00 -1.88 -1.34 119.26 121.22 2fwi h ALA 137 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2fwi h ALA 137 Cb 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 2fwi h ALA 137 CO 0.00 0.39 0.45 0.77 0.00 0.00 0.00 179.25 180.86 2fwi h SER 138 N 1.11 0.67 -0.60 0.00 0.02 -1.88 -1.06 113.55 111.82 2fwi h SER 138 Ca 0.42 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.31 2fwi h SER 138 Cb 0.18 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2fwi h SER 138 CO -0.18 0.42 0.04 1.23 -1.14 0.00 0.00 176.83 177.20 2fwi h GLY 139 N 0.80 1.12 0.89 -3.77 0.00 -1.20 -0.42 103.07 100.50 2fwi h GLY 139 Ca 0.35 -0.79 0.02 0.00 0.00 0.00 0.00 47.33 46.91 2fwi h GLY 139 CO -0.20 0.73 0.21 0.00 0.00 0.00 0.00 176.54 177.28 2fwi h ALA 140 N 1.00 0.46 -0.37 3.60 0.00 -0.95 0.28 119.26 123.27 2fwi h ALA 140 Ca 0.18 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2fwi h ALA 140 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2fwi h ALA 140 CO 0.02 -0.14 0.09 -0.22 0.00 0.00 0.00 179.25 179.00 2fwi h LYS 141 N 0.42 0.59 0.00 0.00 3.64 -1.11 -2.56 116.57 117.55 2fwi h LYS 141 Ca 0.15 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2fwi h LYS 141 Cb 0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2fwi h LYS 141 CO -0.08 0.63 -0.31 -0.91 -2.27 0.00 0.00 179.45 176.52 2fwi h ASN 142 N 0.45 0.00 -0.64 4.20 2.35 -0.86 -1.58 115.58 119.50 2fwi h ASN 142 Ca 0.12 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 2fwi h ASN 142 Cb 0.31 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2fwi h ASN 142 CO 0.00 0.31 0.17 0.00 -1.65 0.00 0.00 177.43 176.26 2fwi h ALA 143 N 1.69 1.04 -0.44 -0.83 0.00 -0.05 0.77 119.26 121.44 2fwi h ALA 143 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2fwi h ALA 143 Cb 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2fwi h ALA 143 CO 0.04 0.63 -0.00 0.00 0.00 0.00 0.00 179.25 179.92 2fwi h ALA 144 N 1.18 0.60 -0.61 0.00 0.00 -1.13 -0.35 119.26 118.94 2fwi h ALA 144 Ca 0.21 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2fwi h ALA 144 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2fwi h ALA 144 CO -0.00 0.39 0.13 -0.07 0.00 0.00 0.00 179.25 179.71 2fwi h LEU 145 N 0.63 0.95 -0.29 0.00 3.38 -1.11 0.16 115.31 119.03 2fwi h LEU 145 Ca 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2fwi h LEU 145 Cb 0.50 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2fwi h LEU 145 CO 0.02 0.94 0.12 0.25 0.09 0.00 0.00 178.44 179.87 2fwi h LEU 146 N 0.91 0.39 -0.56 1.67 5.85 -0.77 0.44 115.31 123.23 2fwi h LEU 146 Ca 0.19 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2fwi h LEU 146 Cb 0.38 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2fwi h LEU 146 CO 0.01 0.44 0.24 0.00 -0.34 0.00 0.00 178.44 178.78 2fwi h ALA 147 N 0.97 0.72 -0.63 1.25 0.00 -0.83 -1.56 119.26 119.17 2fwi h ALA 147 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2fwi h ALA 147 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2fwi h ALA 147 CO -0.01 -0.15 0.40 0.00 0.00 0.00 0.00 179.25 179.49 2fwi h ALA 148 N 1.35 0.80 -0.04 0.00 0.00 -0.35 -1.41 119.26 119.60 2fwi h ALA 148 Ca 0.27 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2fwi h ALA 148 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2fwi h ALA 148 CO -0.24 0.24 -0.18 0.66 0.00 0.00 0.00 179.25 179.73 2fwi h SER 149 N 0.85 0.07 0.12 0.00 4.64 -0.37 0.89 113.55 119.74 2fwi h SER 149 Ca 0.23 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 2fwi h SER 149 Cb -0.07 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2fwi h SER 149 CO -0.05 0.26 -0.06 0.40 -0.87 0.00 0.00 176.83 176.52 2fwi h ILE 150 N 0.07 1.08 -0.27 0.95 2.04 -0.94 -3.26 117.51 117.17 2fwi h ILE 150 Ca 0.01 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2fwi h ILE 150 Cb 0.37 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2fwi h ILE 150 CO 0.03 0.22 0.05 -0.07 0.00 0.00 0.00 178.15 178.37 2fwi h LEU 151 N -0.62 0.36 -2.30 1.44 3.38 -0.95 -2.61 115.31 114.01 2fwi h LEU 151 Ca -0.02 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2fwi h LEU 151 Cb 0.48 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2fwi h LEU 151 CO 0.03 0.39 0.03 0.00 0.09 0.00 0.00 178.44 178.98 2fwi h ALA 152 N 1.67 1.72 0.00 1.53 0.00 -0.87 -2.19 119.26 121.11 2fwi h ALA 152 Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2fwi h ALA 152 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2fwi h ALA 152 CO -0.00 -0.05 -0.08 -0.07 0.00 0.00 0.00 179.25 179.05 2fwi h LEU 153 N 0.00 0.00 -2.58 0.00 3.38 -1.51 -3.15 115.31 111.44 2fwi h LEU 153 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2fwi h LEU 153 Cb 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.72 2fwi h LEU 153 CO -0.00 0.08 -0.58 0.00 0.09 0.00 0.00 178.44 178.03 2fwi n TYR 154 N -3.83 0.00 -3.40 1.13 0.18 -0.86 -4.94 117.16 105.44 2fwi n TYR 154 Ca -0.02 -0.50 -0.20 0.00 1.88 0.00 0.00 57.90 59.06 2fwi n TYR 154 Cb 0.17 -0.12 -0.10 0.00 -0.38 0.00 0.00 39.34 38.92 2fwi n TYR 154 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2fwi s ASN 155 N -1.88 1.83 0.33 9.48 3.84 -1.02 -5.04 114.94 122.48 2fwi s ASN 155 Ca 0.20 -1.49 0.03 0.00 0.21 0.00 0.00 52.86 51.81 2fwi s ASN 155 Cb 0.21 0.29 0.56 0.00 -0.55 0.00 0.00 41.25 41.75 2fwi s ASN 155 CO -0.05 -0.31 1.88 -0.65 -2.79 0.00 0.00 177.10 175.17 2fwi h PRO 156 N 7.44 0.63 0.17 0.43 0.11 -1.89 -0.21 132.00 138.67 2fwi h PRO 156 Ca -0.01 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2fwi h PRO 156 Cb 1.04 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2fwi h PRO 156 CO 0.26 0.60 -0.12 0.00 -0.21 0.00 0.00 178.00 178.52 2fwi h ALA 157 N 1.48 -0.28 -0.49 -0.75 0.00 -1.96 -1.07 119.26 116.20 2fwi h ALA 157 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2fwi h ALA 157 Cb 0.27 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2fwi h ALA 157 CO 0.00 -0.67 0.26 1.25 0.00 0.00 0.00 179.25 180.09 2fwi h LEU 158 N -0.30 0.40 -0.75 0.00 5.85 -1.85 -1.82 115.31 116.83 2fwi h LEU 158 Ca -0.01 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.86 2fwi h LEU 158 Cb 0.26 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 2fwi h LEU 158 CO -0.01 0.28 0.33 0.00 -0.34 0.00 0.00 178.44 178.70 2fwi h ALA 159 N 1.24 1.07 -0.58 1.25 0.00 -0.87 0.28 119.26 121.64 2fwi h ALA 159 Ca 0.21 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 2fwi h ALA 159 Cb 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2fwi h ALA 159 CO -0.13 -0.16 0.15 0.00 0.00 0.00 0.00 179.25 179.11 2fwi h ALA 160 N 1.52 0.77 -0.70 0.00 0.00 -0.70 -1.15 119.26 118.99 2fwi h ALA 160 Ca 0.40 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2fwi h ALA 160 Cb 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2fwi h ALA 160 CO -0.37 0.47 0.20 0.00 0.00 0.00 0.00 179.25 179.55 2fwi h ARG 161 N 0.84 1.11 -0.50 0.00 3.08 -0.52 -1.04 114.38 117.36 2fwi h ARG 161 Ca 0.18 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2fwi h ARG 161 Cb 0.34 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2fwi h ARG 161 CO 0.00 0.97 0.11 1.25 -1.07 0.00 0.00 179.97 181.23 2fwi h LEU 162 N 1.05 0.76 -0.42 3.04 5.85 -0.36 0.20 115.31 125.43 2fwi h LEU 162 Ca 0.22 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2fwi h LEU 162 Cb 0.34 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2fwi h LEU 162 CO -0.00 0.80 0.23 -0.08 -0.34 0.00 0.00 178.44 179.04 2fwi h GLU 163 N 0.68 0.45 -0.61 1.25 4.57 -1.01 0.89 114.58 120.80 2fwi h GLU 163 Ca 0.15 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2fwi h GLU 163 Cb 0.34 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2fwi h GLU 163 CO 0.00 0.30 0.35 1.15 -1.18 0.00 0.00 179.01 179.62 2fwi h THR 164 N 0.46 1.19 -0.20 0.32 2.02 -1.06 -0.03 112.91 115.62 2fwi h THR 164 Ca 0.18 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 2fwi h THR 164 Cb 0.05 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2fwi h THR 164 CO -0.11 0.20 0.11 -0.25 0.37 0.00 0.00 175.52 175.85 2fwi h TRP 165 N 0.83 0.27 -0.43 3.16 7.01 -0.29 -1.00 115.95 125.50 2fwi h TRP 165 Ca 0.22 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.17 2fwi h TRP 165 Cb 0.02 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 2fwi h TRP 165 CO -0.01 0.24 0.09 0.00 -2.79 0.00 0.00 178.44 175.97 2fwi h ARG 166 N 0.21 0.69 -0.60 2.65 2.47 -0.72 -1.82 114.38 117.27 2fwi h ARG 166 Ca 0.07 -0.17 0.02 0.00 -1.26 0.00 0.00 59.98 58.64 2fwi h ARG 166 Cb 0.06 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.26 2fwi h ARG 166 CO -0.01 0.71 0.38 0.00 0.56 0.00 0.00 179.97 181.60 2fwi h ALA 167 N 0.95 0.77 -0.58 0.04 0.00 -0.90 -1.60 119.26 117.93 2fwi h ALA 167 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2fwi h ALA 167 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2fwi h ALA 167 CO 0.00 0.13 0.04 1.25 0.00 0.00 0.00 179.25 180.67 2fwi h LEU 168 N 0.75 0.97 -0.42 0.00 5.85 -1.06 -1.17 115.31 120.23 2fwi h LEU 168 Ca 0.23 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.71 2fwi h LEU 168 Cb -0.02 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 2fwi h LEU 168 CO -0.08 1.02 0.16 -0.61 -0.34 0.00 0.00 178.44 178.59 2fwi h GLN 169 N 0.89 0.33 -0.58 1.25 4.15 -1.06 -0.53 115.11 119.55 2fwi h GLN 169 Ca 0.17 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2fwi h GLN 169 Cb 0.50 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 2fwi h GLN 169 CO 0.02 0.22 0.35 1.15 -1.93 0.00 0.00 178.83 178.64 2fwi h THR 170 N 0.34 1.17 0.00 2.39 2.02 -0.95 -2.93 112.91 114.94 2fwi h THR 170 Ca 0.19 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 2fwi h THR 170 Cb 0.16 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2fwi h THR 170 CO -0.18 0.17 -0.25 0.00 0.37 0.00 0.00 175.52 175.64 2fwi h ALA 171 N 1.18 1.02 -0.01 6.16 0.00 -0.88 -3.16 119.26 123.57 2fwi h ALA 171 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2fwi h ALA 171 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2fwi h ALA 171 CO -0.04 0.31 -0.12 0.43 0.00 0.00 0.00 179.25 179.83 2fwi n SER 172 N -3.42 0.85 -4.68 0.00 7.64 -0.24 -4.85 113.62 108.92 2fwi n SER 172 Ca 0.00 -0.93 -0.42 0.00 1.01 0.00 0.00 58.87 58.53 2fwi n SER 172 Cb 0.44 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 2fwi n SER 172 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2fwi s VAL 173 N -2.33 4.28 0.87 0.44 1.01 -1.20 -5.01 120.40 118.46 2fwi s VAL 173 Ca 0.31 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 2fwi s VAL 173 Cb 0.20 -4.03 0.11 0.00 0.00 0.00 0.00 36.38 32.67 2fwi s VAL 173 CO 0.45 -0.02 1.09 -2.16 0.00 0.00 0.00 175.10 174.46 2fwi s PRO 174 N 2.39 1.49 0.16 2.72 0.04 -1.26 -4.99 135.00 135.55 2fwi s PRO 174 Ca 0.55 0.90 0.19 0.00 0.04 0.00 0.00 61.00 62.68 2fwi s PRO 174 Cb -0.24 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2fwi s PRO 174 CO 0.21 -2.10 1.00 -0.91 0.04 0.00 0.00 177.00 175.24 2fwi h ASN 175 N -1.45 0.00 -5.10 6.66 2.35 -1.99 -3.48 115.58 112.58 2fwi h ASN 175 Ca -0.48 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.17 2fwi h ASN 175 Cb 1.27 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.48 2fwi h ASN 175 CO 0.54 0.29 -0.34 -0.94 -1.65 0.00 0.00 177.43 175.33 2fwi s SER 176 N -5.66 0.02 0.61 5.81 1.04 -1.26 -5.16 113.70 109.10 2fwi s SER 176 Ca -0.01 -0.43 -0.14 0.00 0.48 0.00 0.00 55.95 55.85 2fwi s SER 176 Cb 0.09 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 2fwi s SER 176 CO 0.79 -0.64 1.05 -2.16 0.98 0.00 0.00 173.24 173.26 2fwi s PRO 177 N -3.08 3.29 -0.57 4.02 0.04 -1.26 -4.99 135.00 132.45 2fwi s PRO 177 Ca -0.01 1.10 -0.25 0.00 0.04 0.00 0.00 61.00 61.88 2fwi s PRO 177 Cb 0.01 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.56 2fwi s PRO 177 CO -0.07 -0.83 1.03 0.42 0.04 0.00 0.00 177.00 177.60 2fwi s ILE 178 N -2.65 4.25 -0.14 0.56 1.01 -1.26 -4.90 121.20 118.07 2fwi s ILE 178 Ca 0.61 0.44 -0.02 0.00 0.00 0.00 0.00 60.65 61.68 2fwi s ILE 178 Cb -0.15 -4.62 0.01 0.00 0.01 0.00 0.00 42.46 37.71 2fwi s ILE 178 CO 0.41 -1.23 2.45 0.35 0.00 0.00 0.00 174.94 176.92 2fwi n THR 179 N 6.33 2.58 -0.65 2.92 -2.24 -1.26 -5.32 114.28 116.63 2fwi n THR 179 Ca 0.03 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.50 2fwi n THR 179 Cb 0.48 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 2fwi n THR 179 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71