#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnd h TRP 25 N 0.00 0.00 0.00 4.78 4.06 -2.01 -3.24 115.95 119.54 1nnd h TRP 25 Ca 0.00 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 1nnd h TRP 25 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 1nnd h TRP 25 CO 0.00 0.00 -0.60 -0.07 -3.56 0.00 0.00 178.44 174.21 1nnd h LEU 26 N 0.00 0.00 -1.62 -4.49 4.07 -2.02 -3.30 115.31 107.96 1nnd h LEU 26 Ca 0.00 -0.64 0.11 0.00 0.08 0.00 0.00 57.88 57.44 1nnd h LEU 26 Cb 0.89 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.59 1nnd h LEU 26 CO 0.00 1.17 0.43 0.77 -1.08 0.00 0.00 178.44 179.73 1nnd h SER 27 N -1.00 0.38 1.17 -0.43 4.64 -2.01 -1.83 113.55 114.48 1nnd h SER 27 Ca -0.16 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.06 1nnd h SER 27 Cb 1.03 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 1nnd h SER 27 CO -0.09 0.22 -0.56 0.44 -0.87 0.00 0.00 176.83 175.97 1nnd h ASP 28 N 0.42 0.00 -2.08 4.97 5.19 -1.71 -3.38 116.42 119.83 1nnd h ASP 28 Ca 0.30 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 56.17 1nnd h ASP 28 Cb 0.62 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.73 1nnd h ASP 28 CO -0.09 0.56 -0.99 0.49 -3.12 0.00 0.00 179.24 176.09 1nnd n PHE 29 N -3.36 1.15 0.19 4.55 3.72 -0.71 -4.95 117.46 118.04 1nnd n PHE 29 Ca 0.01 -3.81 0.13 0.00 -0.05 0.00 0.00 57.45 53.72 1nnd n PHE 29 Cb 0.70 -0.43 0.70 0.00 -0.94 0.00 0.00 39.48 39.51 1nnd n PHE 29 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1nnd h PRO 30 N 3.50 0.00 -0.00 -1.08 0.13 -1.68 -1.89 132.00 130.99 1nnd h PRO 30 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1nnd h PRO 30 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1nnd h PRO 30 CO 0.59 0.00 -0.10 1.04 -0.23 0.00 0.00 178.00 179.30 1nnd n GLN 31 N -4.35 0.15 0.00 0.86 1.13 -1.26 -2.26 117.38 111.65 1nnd n GLN 31 Ca 0.01 -0.03 0.11 0.00 -1.94 0.00 0.00 57.00 55.15 1nnd n GLN 31 Cb 0.25 -1.50 0.11 0.00 0.11 0.00 0.00 30.24 29.21 1nnd n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nnd n ALA 32 N -1.40 3.84 -2.57 -1.58 0.00 -0.71 -4.36 120.51 113.73 1nnd n ALA 32 Ca 0.09 -0.50 -0.33 0.00 0.00 0.00 0.00 53.44 52.70 1nnd n ALA 32 Cb 0.32 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 1nnd n ALA 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1nnd s TRP 33 N -2.79 2.87 0.10 0.00 0.52 -1.23 -0.47 118.94 117.95 1nnd s TRP 33 Ca 0.14 -0.03 -0.18 0.00 0.02 0.00 0.00 56.10 56.05 1nnd s TRP 33 Cb 0.17 -1.66 -0.06 0.00 -1.15 0.00 0.00 33.47 30.78 1nnd s TRP 33 CO 0.69 0.32 1.60 0.00 0.02 0.00 0.00 176.95 179.59 1nnd h ALA 34 N 4.99 0.36 -0.03 0.98 0.00 -1.32 0.28 119.26 124.53 1nnd h ALA 34 Ca -0.48 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.28 1nnd h ALA 34 Cb 1.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1nnd h ALA 34 CO 0.52 0.01 0.05 0.93 0.00 0.00 0.00 179.25 180.76 1nnd h GLU 35 N 0.28 0.00 0.00 0.00 3.07 -1.88 -1.47 114.58 114.57 1nnd h GLU 35 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1nnd h GLU 35 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1nnd h GLU 35 CO -0.00 0.00 -0.70 0.25 -1.40 0.00 0.00 179.01 177.16 1nnd n THR 36 N -3.68 0.00 0.52 1.13 -2.24 -1.11 -4.70 114.28 104.20 1nnd n THR 36 Ca -0.02 -0.22 0.06 0.00 -2.27 0.00 0.00 64.05 61.59 1nnd n THR 36 Cb 0.13 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 1nnd n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nnd n GLY 37 N 1.80 -0.13 7.00 3.38 0.00 0.98 -4.77 105.19 113.45 1nnd n GLY 37 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1nnd n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nnd n GLY 38 N 1.31 -1.42 3.77 -0.02 0.00 -0.56 -4.82 105.19 103.45 1nnd n GLY 38 Ca 0.02 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 1nnd n GLY 38 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nnd s MET 39 N 0.00 3.96 0.67 1.61 1.75 -1.26 -4.66 119.30 121.37 1nnd s MET 39 Ca 0.00 2.46 0.04 0.00 -1.25 0.00 0.00 55.69 56.94 1nnd s MET 39 Cb 0.00 -2.84 0.12 0.00 2.84 0.00 0.00 34.83 34.94 1nnd s MET 39 CO 0.00 -0.61 0.92 0.20 -0.65 0.00 0.00 175.02 174.88 1nnd s GLY 40 N -0.35 1.74 -0.30 2.11 0.00 -1.26 -5.06 107.32 104.21 1nnd s GLY 40 Ca 0.56 -1.94 -0.10 0.00 0.00 0.00 0.00 44.72 43.23 1nnd s GLY 40 CO 0.59 -1.40 0.80 -2.27 0.00 0.00 0.00 173.10 170.82 1nnd s LEU 41 N -4.96 -0.92 -0.57 0.66 0.20 0.08 -4.50 118.68 108.67 1nnd s LEU 41 Ca 0.65 1.03 -0.26 0.00 0.69 0.00 0.00 54.13 56.24 1nnd s LEU 41 Cb -0.05 1.95 -0.04 0.00 -0.43 0.00 0.00 46.19 47.63 1nnd s LEU 41 CO 0.42 -0.17 2.05 0.00 -0.29 0.00 0.00 176.35 178.35 1nnd s ALA 42 N 2.74 1.98 -0.13 5.97 0.00 -0.05 -4.18 121.76 128.10 1nnd s ALA 42 Ca 0.01 -0.43 0.27 0.00 0.00 0.00 0.00 51.96 51.81 1nnd s ALA 42 Cb -0.10 -4.32 1.32 0.00 0.00 0.00 0.00 23.12 20.02 1nnd s ALA 42 CO -0.18 -4.10 1.83 -0.39 0.00 0.00 0.00 175.76 172.92 1nnd h VAL 43 N 7.16 0.00 -0.02 0.00 -1.51 -1.51 -2.69 116.25 117.69 1nnd h VAL 43 Ca -0.25 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1nnd h VAL 43 Cb 1.20 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1nnd h VAL 43 CO 1.20 0.00 -0.45 0.54 -1.23 0.00 0.00 177.57 177.63 1nnd n ARG 44 N -2.49 1.28 -3.33 5.19 5.12 -1.26 -4.92 116.66 116.25 1nnd n ARG 44 Ca -0.00 -1.03 -0.40 0.00 -1.93 0.00 0.00 57.85 54.49 1nnd n ARG 44 Cb 0.15 -1.47 -0.09 0.00 -1.16 0.00 0.00 32.46 29.89 1nnd n ARG 44 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1nnd s GLN 45 N -2.43 3.83 0.62 5.56 -1.52 -1.02 -5.06 119.66 119.64 1nnd s GLN 45 Ca 0.18 -0.07 -0.17 0.00 -1.95 0.00 0.00 55.36 53.35 1nnd s GLN 45 Cb 0.18 -3.73 -0.02 0.00 -0.22 0.00 0.00 33.01 29.23 1nnd s GLN 45 CO 0.55 -0.43 1.15 0.00 -0.25 0.00 0.00 175.29 176.31 1nnd s ALA 46 N 2.17 2.49 0.25 6.09 0.00 -1.26 -4.73 121.76 126.77 1nnd s ALA 46 Ca 0.16 0.77 -0.31 0.00 0.00 0.00 0.00 51.96 52.58 1nnd s ALA 46 Cb -0.16 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 1nnd s ALA 46 CO 0.11 -1.20 1.39 -2.30 0.00 0.00 0.00 175.76 173.75 1nnd n PRO 47 N -1.98 2.02 -3.05 0.00 -0.02 -1.26 -4.76 135.00 125.95 1nnd n PRO 47 Ca 0.12 0.72 -0.39 0.00 -2.02 0.00 0.00 63.50 61.92 1nnd n PRO 47 Cb 0.51 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 1nnd n PRO 47 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nnd s LEU 48 N 0.01 4.50 -0.14 2.45 1.43 -0.08 -4.42 118.68 122.44 1nnd s LEU 48 Ca 0.67 1.45 -0.06 0.00 -1.03 0.00 0.00 54.13 55.17 1nnd s LEU 48 Cb -0.65 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1nnd s LEU 48 CO 0.51 0.13 0.06 -0.63 0.23 0.00 0.00 176.35 176.65 1nnd s ILE 49 N -0.57 4.80 -0.43 -0.59 1.01 -1.26 -0.04 121.20 124.11 1nnd s ILE 49 Ca 0.35 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.84 1nnd s ILE 49 Cb -0.21 -3.10 0.07 0.00 0.01 0.00 0.00 42.46 39.22 1nnd s ILE 49 CO 0.23 0.54 0.30 -0.63 0.00 0.00 0.00 174.94 175.39 1nnd s ILE 50 N -0.34 4.67 0.39 2.92 -1.09 -1.26 -5.04 121.20 121.43 1nnd s ILE 50 Ca 0.09 -1.20 -0.26 0.00 -2.23 0.00 0.00 60.65 57.05 1nnd s ILE 50 Cb -0.12 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.88 1nnd s ILE 50 CO 0.02 -0.50 1.22 -2.84 -1.23 0.00 0.00 174.94 171.61 1nnd s PRO 51 N 1.53 4.09 0.32 2.79 0.02 -1.26 -4.95 135.00 137.53 1nnd s PRO 51 Ca 0.03 1.97 0.07 0.00 0.02 0.00 0.00 61.00 63.09 1nnd s PRO 51 Cb -0.23 -2.77 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 1nnd s PRO 51 CO 0.04 -0.33 0.36 -0.51 -0.33 0.00 0.00 177.00 176.24 1nnd s LEU 52 N -2.34 3.84 0.38 -5.54 1.02 -1.26 -1.26 118.68 113.51 1nnd s LEU 52 Ca 0.55 -0.29 -0.25 0.00 0.02 0.00 0.00 54.13 54.16 1nnd s LEU 52 Cb -0.34 -2.51 -0.09 0.00 0.02 0.00 0.00 46.19 43.27 1nnd s LEU 52 CO 0.43 -0.33 1.07 -0.54 0.02 0.00 0.00 176.35 177.00 1nnd s LYS 53 N -4.05 4.25 0.34 1.70 1.02 -0.64 -4.32 119.74 118.03 1nnd s LYS 53 Ca 0.41 1.59 0.13 0.00 0.02 0.00 0.00 55.97 58.13 1nnd s LYS 53 Cb -0.08 -2.68 1.10 0.00 -0.52 0.00 0.00 37.83 35.66 1nnd s LYS 53 CO 0.28 -0.09 1.56 0.00 -0.92 0.00 0.00 175.35 176.19 1nnd n ALA 54 N 0.19 0.81 0.88 5.17 0.00 -1.26 -0.64 120.51 125.67 1nnd n ALA 54 Ca 0.04 1.03 0.12 0.00 0.00 0.00 0.00 53.44 54.63 1nnd n ALA 54 Cb 0.48 -0.92 0.22 0.00 0.00 0.00 0.00 19.45 19.24 1nnd n ALA 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nnd n THR 55 N -5.34 0.17 -1.76 0.00 -2.24 -1.26 -4.99 114.28 98.86 1nnd n THR 55 Ca 0.32 -0.53 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 1nnd n THR 55 Cb 1.07 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 70.40 1nnd n THR 55 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1nnd n SER 56 N 1.14 3.80 -4.21 3.42 7.64 0.19 -5.02 113.62 120.56 1nnd n SER 56 Ca 0.17 1.19 -0.18 0.00 1.01 0.00 0.00 58.87 61.06 1nnd n SER 56 Cb 0.54 -1.61 -0.11 0.00 -1.01 0.00 0.00 64.21 62.03 1nnd n SER 56 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nnd s THR 57 N -0.63 1.23 0.43 0.44 2.01 -1.26 -4.95 115.64 112.91 1nnd s THR 57 Ca 0.58 -1.58 -0.25 0.00 0.31 0.00 0.00 61.69 60.74 1nnd s THR 57 Cb -0.49 -1.38 -0.09 0.00 0.01 0.00 0.00 72.50 70.55 1nnd s THR 57 CO 0.57 -0.37 1.31 -2.65 -0.69 0.00 0.00 174.62 172.79 1nnd n PRO 58 N 0.77 2.00 -4.96 4.92 -0.02 -1.26 -5.02 135.00 131.43 1nnd n PRO 58 Ca -0.17 0.71 -0.28 0.00 -2.02 0.00 0.00 63.50 61.74 1nnd n PRO 58 Cb 0.56 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 1nnd n PRO 58 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1nnd s VAL 59 N -1.20 1.64 -0.37 -1.45 -7.23 -1.26 -4.97 120.40 105.57 1nnd s VAL 59 Ca 0.61 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 60.00 1nnd s VAL 59 Cb -0.49 -1.42 0.11 0.00 0.56 0.00 0.00 36.38 35.13 1nnd s VAL 59 CO 0.58 0.47 0.11 -0.55 -0.31 0.00 0.00 175.10 175.40 1nnd s SER 60 N 0.25 4.38 -0.33 4.85 0.15 -1.25 -1.29 113.70 120.46 1nnd s SER 60 Ca -0.11 -2.20 -0.15 0.00 0.70 0.00 0.00 55.95 54.19 1nnd s SER 60 Cb -0.15 -1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 62.78 1nnd s SER 60 CO 0.05 -0.36 0.37 -0.63 1.20 0.00 0.00 173.24 173.87 1nnd s ILE 61 N 0.86 5.17 0.54 6.45 1.09 0.47 -4.89 121.20 130.88 1nnd s ILE 61 Ca 0.12 0.17 -0.20 0.00 -1.10 0.00 0.00 60.65 59.64 1nnd s ILE 61 Cb -0.20 -3.80 -0.05 0.00 -1.06 0.00 0.00 42.46 37.35 1nnd s ILE 61 CO -0.10 -0.04 1.20 -1.59 -0.10 0.00 0.00 174.94 174.30 1nnd s LYS 62 N 2.04 3.28 0.26 2.79 -2.85 -1.26 -3.91 119.74 120.09 1nnd s LYS 62 Ca 0.13 1.81 -0.31 0.00 -1.00 0.00 0.00 55.97 56.60 1nnd s LYS 62 Cb -0.16 -2.10 -0.12 0.00 -2.06 0.00 0.00 37.83 33.39 1nnd s LYS 62 CO 0.11 -0.95 1.61 0.94 0.10 0.00 0.00 175.35 177.16 1nnd n GLN 63 N -1.18 2.64 -2.49 1.78 -0.06 -1.26 -4.68 117.38 112.12 1nnd n GLN 63 Ca 0.11 0.94 -0.34 0.00 -2.00 0.00 0.00 57.00 55.71 1nnd n GLN 63 Cb 0.49 -2.73 -0.03 0.00 -4.06 0.00 0.00 30.24 23.91 1nnd n GLN 63 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1nnd s TYR 64 N 0.30 2.94 0.88 3.69 2.02 -1.26 -4.99 117.35 120.93 1nnd s TYR 64 Ca 0.68 1.57 -0.12 0.00 -0.37 0.00 0.00 57.07 58.83 1nnd s TYR 64 Cb -0.52 -3.11 0.08 0.00 -0.40 0.00 0.00 41.96 38.01 1nnd s TYR 64 CO 0.44 -0.97 0.88 -2.30 -1.57 0.00 0.00 175.55 172.04 1nnd n PRO 65 N -1.01 -0.19 -3.96 -1.71 -0.02 -1.26 -4.98 135.00 121.87 1nnd n PRO 65 Ca 0.10 0.01 -0.14 0.00 -2.02 0.00 0.00 63.50 61.44 1nnd n PRO 65 Cb 0.52 -2.19 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 1nnd n PRO 65 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1nnd s MET 66 N -4.04 0.18 0.43 -0.52 1.75 -1.26 -5.10 119.30 110.74 1nnd s MET 66 Ca 0.65 -0.03 -0.25 0.00 -1.25 0.00 0.00 55.69 54.81 1nnd s MET 66 Cb -0.25 -0.22 -0.08 0.00 2.84 0.00 0.00 34.83 37.12 1nnd s MET 66 CO 0.59 0.00 1.36 -1.54 -0.65 0.00 0.00 175.02 174.78 1nnd s SER 67 N 0.19 6.06 0.33 1.11 1.04 -1.26 -4.79 113.70 116.38 1nnd s SER 67 Ca -0.02 2.77 0.07 0.00 0.48 0.00 0.00 55.95 59.25 1nnd s SER 67 Cb -0.04 -2.64 0.76 0.00 0.10 0.00 0.00 66.02 64.20 1nnd s SER 67 CO -0.01 -1.03 1.84 -0.61 0.98 0.00 0.00 173.24 174.42 1nnd h GLN 68 N 2.45 0.74 -0.70 4.02 4.15 -2.00 0.56 115.11 124.32 1nnd h GLN 68 Ca -0.50 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 58.85 1nnd h GLN 68 Cb 1.26 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.75 1nnd h GLN 68 CO 0.62 0.49 0.34 0.93 -1.93 0.00 0.00 178.83 179.27 1nnd h GLU 69 N 0.76 1.02 0.26 1.69 3.07 -1.99 -2.40 114.58 116.98 1nnd h GLU 69 Ca 0.48 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1nnd h GLU 69 Cb 0.73 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1nnd h GLU 69 CO -0.25 0.80 -0.12 0.00 -1.40 0.00 0.00 179.01 178.04 1nnd h ALA 70 N 1.16 -0.34 -0.26 3.43 0.00 -1.28 0.00 119.26 121.97 1nnd h ALA 70 Ca 0.24 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1nnd h ALA 70 Cb 0.12 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1nnd h ALA 70 CO -0.03 -0.64 0.01 -0.09 0.00 0.00 0.00 179.25 178.50 1nnd h ARG 71 N -0.46 0.08 0.00 0.00 2.43 -1.23 -0.03 114.38 115.18 1nnd h ARG 71 Ca -0.04 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1nnd h ARG 71 Cb 0.35 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1nnd h ARG 71 CO 0.06 0.06 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.37 1nnd h LEU 72 N 0.09 0.00 -0.62 3.80 3.38 -1.45 -1.31 115.31 119.20 1nnd h LEU 72 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1nnd h LEU 72 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1nnd h LEU 72 CO -0.20 0.13 -0.47 1.23 0.09 0.00 0.00 178.44 179.22 1nnd h GLY 73 N 1.84 0.58 0.21 0.83 0.00 0.85 -3.24 103.07 104.13 1nnd h GLY 73 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1nnd h GLY 73 CO 0.02 0.56 -1.16 0.29 0.00 0.00 0.00 176.54 176.24 1nnd n ILE 74 N -3.99 0.04 -0.24 2.60 -5.35 -0.56 -4.28 119.36 107.58 1nnd n ILE 74 Ca -0.02 -0.15 0.04 0.00 -0.27 0.00 0.00 62.75 62.34 1nnd n ILE 74 Cb 0.56 0.57 0.14 0.00 -1.74 0.00 0.00 39.64 39.17 1nnd n ILE 74 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1nnd h LYS 75 N 0.00 0.10 -0.92 6.28 3.11 -1.27 0.47 116.57 124.34 1nnd h LYS 75 Ca 0.00 -0.01 0.09 0.00 -2.81 0.00 0.00 60.65 57.93 1nnd h LYS 75 Cb 0.65 -0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.78 1nnd h LYS 75 CO 0.00 0.07 0.56 -1.35 -2.81 0.00 0.00 179.45 175.92 1nnd h PRO 76 N 0.10 0.91 -0.28 1.90 0.11 -1.77 0.19 132.00 133.17 1nnd h PRO 76 Ca 0.39 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.28 1nnd h PRO 76 Cb 0.67 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1nnd h PRO 76 CO -0.63 0.60 -0.49 0.45 -0.21 0.00 0.00 178.00 177.72 1nnd h HIS 77 N 0.94 0.93 -0.40 0.65 3.86 -1.23 -1.59 115.15 118.31 1nnd h HIS 77 Ca 0.43 -0.31 -0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1nnd h HIS 77 Cb 0.35 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1nnd h HIS 77 CO -0.03 1.10 -0.02 0.82 0.86 0.00 0.00 177.93 180.65 1nnd h ILE 78 N 0.60 1.26 -0.71 2.45 1.08 -0.63 -2.13 117.51 119.43 1nnd h ILE 78 Ca 0.03 -1.06 -0.04 0.00 -0.39 0.00 0.00 64.86 63.40 1nnd h ILE 78 Cb 1.06 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.93 1nnd h ILE 78 CO 0.10 0.36 0.28 -0.61 -0.69 0.00 0.00 178.15 177.59 1nnd h GLN 79 N 0.55 1.07 0.27 2.37 5.75 -0.58 -1.06 115.11 123.48 1nnd h GLN 79 Ca 0.11 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1nnd h GLN 79 Cb 0.51 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1nnd h GLN 79 CO 0.03 0.89 -0.13 -0.09 -2.65 0.00 0.00 178.83 176.88 1nnd h ARG 80 N 1.03 -0.35 -0.99 1.69 2.43 -1.18 -0.77 114.38 116.23 1nnd h ARG 80 Ca 0.24 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.59 1nnd h ARG 80 Cb 0.22 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.76 1nnd h ARG 80 CO -0.02 -0.22 0.62 -0.07 -1.51 0.00 0.00 179.97 178.77 1nnd h LEU 81 N -0.38 0.83 -0.78 3.80 4.07 -1.14 0.03 115.31 121.74 1nnd h LEU 81 Ca -0.04 0.07 -0.13 0.00 0.08 0.00 0.00 57.88 57.87 1nnd h LEU 81 Cb 0.29 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1nnd h LEU 81 CO 0.06 0.37 -0.50 -0.07 -1.08 0.00 0.00 178.44 177.22 1nnd h LEU 82 N 0.85 0.29 -0.88 1.67 3.38 -0.76 -1.10 115.31 118.76 1nnd h LEU 82 Ca 0.53 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.24 1nnd h LEU 82 Cb 0.72 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1nnd h LEU 82 CO -0.31 0.75 -0.51 0.44 0.09 0.00 0.00 178.44 178.90 1nnd h ASP 83 N 0.21 0.14 0.03 -0.43 3.32 0.46 -2.49 116.42 117.66 1nnd h ASP 83 Ca 0.01 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1nnd h ASP 83 Cb 0.96 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1nnd h ASP 83 CO 0.08 0.63 -0.01 0.00 -1.72 0.00 0.00 179.24 178.22 1nnd n GLN 84 N -3.94 1.18 -1.00 3.56 6.02 -0.55 -4.88 117.38 117.77 1nnd n GLN 84 Ca -0.02 -0.33 -0.00 0.00 -0.01 0.00 0.00 57.00 56.64 1nnd n GLN 84 Cb 0.54 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.30 1nnd n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nnd n GLY 85 N 1.08 0.28 0.15 1.08 0.00 -0.94 -4.86 105.19 101.98 1nnd n GLY 85 Ca 0.22 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 1nnd n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nnd h ILE 86 N 0.00 1.10 -4.45 -0.61 2.04 -1.45 -3.44 117.51 110.69 1nnd h ILE 86 Ca -0.00 -2.11 -0.70 0.00 1.00 0.00 0.00 64.86 63.05 1nnd h ILE 86 Cb 0.45 2.24 -0.28 0.00 -0.74 0.00 0.00 36.82 38.49 1nnd h ILE 86 CO 0.00 0.54 -0.86 -0.76 0.00 0.00 0.00 178.15 177.07 1nnd s LEU 87 N -6.92 2.23 0.04 1.44 1.43 -1.07 -1.20 118.68 114.62 1nnd s LEU 87 Ca 0.01 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1nnd s LEU 87 Cb 0.10 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1nnd s LEU 87 CO 0.73 0.32 -0.03 0.68 0.23 0.00 0.00 176.35 178.29 1nnd s VAL 88 N -0.65 0.20 0.58 -1.59 -7.23 -0.52 -4.50 120.40 106.70 1nnd s VAL 88 Ca 0.10 -1.39 -0.18 0.00 -1.81 0.00 0.00 61.98 58.71 1nnd s VAL 88 Cb -0.10 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1nnd s VAL 88 CO -0.00 -0.75 1.11 -2.84 -0.31 0.00 0.00 175.10 172.30 1nnd s PRO 89 N -2.75 3.20 0.26 4.82 0.02 -1.26 -1.31 135.00 137.99 1nnd s PRO 89 Ca -0.04 1.48 -0.12 0.00 0.02 0.00 0.00 61.00 62.34 1nnd s PRO 89 Cb -0.01 -2.00 0.05 0.00 0.02 0.00 0.00 34.50 32.56 1nnd s PRO 89 CO -0.05 -0.94 0.63 0.00 -0.33 0.00 0.00 177.00 176.30 1nnd s GLN 91 N -2.06 0.27 0.03 0.00 -0.44 -1.26 -3.81 119.66 112.38 1nnd s GLN 91 Ca 0.13 0.52 -0.06 0.00 -2.50 0.00 0.00 55.36 53.45 1nnd s GLN 91 Cb -0.03 -0.55 -0.01 0.00 -1.64 0.00 0.00 33.01 30.78 1nnd s GLN 91 CO 0.08 -0.55 0.11 -1.54 0.50 0.00 0.00 175.29 173.88 1nnd s SER 92 N 2.47 0.14 0.00 6.67 1.04 -1.26 -5.01 113.70 117.74 1nnd s SER 92 Ca 0.08 -0.45 0.14 0.00 0.48 0.00 0.00 55.95 56.20 1nnd s SER 92 Cb -0.15 0.22 0.76 0.00 0.10 0.00 0.00 66.02 66.95 1nnd s SER 92 CO -0.13 -0.47 1.32 -0.81 0.98 0.00 0.00 173.24 174.13 1nnd n PRO 93 N 0.95 0.30 -3.97 4.02 -0.04 -1.26 -4.63 135.00 130.38 1nnd n PRO 93 Ca -0.20 0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 1nnd n PRO 93 Cb 0.58 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 1nnd n PRO 93 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1nnd s TRP 94 N -2.33 3.41 -0.29 0.54 0.52 -1.26 -3.89 118.94 115.64 1nnd s TRP 94 Ca 0.16 0.18 -0.20 0.00 0.02 0.00 0.00 56.10 56.26 1nnd s TRP 94 Cb 0.09 -1.70 0.15 0.00 -1.15 0.00 0.00 33.47 30.87 1nnd s TRP 94 CO 0.19 0.56 1.09 1.21 0.02 0.00 0.00 176.95 180.02 1nnd s ASN 95 N -2.57 -0.38 0.10 2.95 2.47 -0.41 -4.54 114.94 112.56 1nnd s ASN 95 Ca 0.33 0.65 0.05 0.00 0.42 0.00 0.00 52.86 54.31 1nnd s ASN 95 Cb -0.12 0.95 -0.03 0.00 -1.45 0.00 0.00 41.25 40.59 1nnd s ASN 95 CO 0.26 -0.11 -0.13 0.42 -3.72 0.00 0.00 177.10 173.83 1nnd s THR 96 N 0.81 1.14 0.27 -5.21 -4.23 -0.78 -0.40 115.64 107.25 1nnd s THR 96 Ca -0.03 -1.59 -0.29 0.00 -1.18 0.00 0.00 61.69 58.59 1nnd s THR 96 Cb -0.04 -1.36 -0.10 0.00 1.34 0.00 0.00 72.50 72.35 1nnd s THR 96 CO -0.12 -0.42 1.24 -2.16 -0.54 0.00 0.00 174.62 172.62 1nnd s PRO 97 N -2.49 4.45 -0.22 3.99 0.04 -1.26 -4.41 135.00 135.11 1nnd s PRO 97 Ca 0.05 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.03 1nnd s PRO 97 Cb -0.05 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 1nnd s PRO 97 CO 0.02 -0.08 0.14 -1.17 0.04 0.00 0.00 177.00 175.94 1nnd s LEU 98 N -1.17 4.10 -0.19 -3.56 2.96 -1.26 -1.59 118.68 117.97 1nnd s LEU 98 Ca 0.50 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.53 1nnd s LEU 98 Cb -0.36 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.24 1nnd s LEU 98 CO 0.45 0.11 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.71 1nnd s LEU 99 N 0.78 2.60 -0.30 -0.68 1.02 0.23 -4.74 118.68 117.58 1nnd s LEU 99 Ca 0.07 -0.46 -0.29 0.00 0.02 0.00 0.00 54.13 53.47 1nnd s LEU 99 Cb -0.13 -1.62 0.01 0.00 0.02 0.00 0.00 46.19 44.47 1nnd s LEU 99 CO 0.02 0.03 1.23 -2.16 0.02 0.00 0.00 176.35 175.49 1nnd s PRO 100 N 1.16 3.97 -0.48 1.29 0.04 -1.26 -0.84 135.00 138.87 1nnd s PRO 100 Ca 0.01 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.11 1nnd s PRO 100 Cb -0.14 -3.84 0.09 0.00 0.04 0.00 0.00 34.50 30.65 1nnd s PRO 100 CO -0.04 -1.05 0.39 0.08 0.04 0.00 0.00 177.00 176.42 1nnd s VAL 101 N 4.13 4.99 -0.16 -0.36 1.01 -0.08 -4.88 120.40 125.06 1nnd s VAL 101 Ca 0.53 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1nnd s VAL 101 Cb -0.15 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 1nnd s VAL 101 CO 0.21 -0.64 2.14 1.17 0.00 0.00 0.00 175.10 177.98 1nnd n LYS 102 N 5.14 2.14 -2.10 2.72 3.00 -1.26 -2.05 118.16 125.75 1nnd n LYS 102 Ca -0.12 0.66 -0.42 0.00 -0.00 0.00 0.00 58.31 58.44 1nnd n LYS 102 Cb 0.43 -3.09 -0.03 0.00 0.00 0.00 0.00 35.03 32.34 1nnd n LYS 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1nnd s LYS 103 N 5.75 4.31 0.36 1.64 2.47 0.14 -4.94 119.74 129.46 1nnd s LYS 103 Ca 0.98 2.19 -0.28 0.00 -1.56 0.00 0.00 55.97 57.30 1nnd s LYS 103 Cb -0.42 -3.17 -0.12 0.00 -1.46 0.00 0.00 37.83 32.66 1nnd s LYS 103 CO 0.39 -0.41 1.39 -0.35 0.16 0.00 0.00 175.35 176.54 1nnd n PRO 104 N 3.07 2.40 0.00 4.03 -0.04 -1.26 -3.20 135.00 140.00 1nnd n PRO 104 Ca 0.09 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 1nnd n PRO 104 Cb 0.41 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1nnd n PRO 104 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nnd n GLY 105 N 0.67 1.13 3.98 0.55 0.00 -1.26 -4.93 105.19 105.33 1nnd n GLY 105 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1nnd n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nnd s THR 106 N 0.00 4.26 -0.45 2.61 2.01 -1.20 -5.00 115.64 117.87 1nnd s THR 106 Ca 0.00 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 1nnd s THR 106 Cb 0.00 -3.50 0.35 0.00 0.01 0.00 0.00 72.50 69.36 1nnd s THR 106 CO 0.00 -0.22 1.96 0.59 -0.69 0.00 0.00 174.62 176.26 1nnd n ASN 107 N -1.68 6.43 -4.57 3.53 3.02 -1.26 -4.45 115.26 116.28 1nnd n ASN 107 Ca -0.01 -3.35 -0.37 0.00 -0.03 0.00 0.00 54.58 50.82 1nnd n ASN 107 Cb 0.58 -0.97 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 1nnd n ASN 107 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nnd s ASP 108 N -0.72 5.77 -0.13 6.41 2.15 -1.26 -5.00 116.67 123.90 1nnd s ASP 108 Ca 0.45 -0.02 -0.04 0.00 0.43 0.00 0.00 52.55 53.37 1nnd s ASP 108 Cb 0.36 -2.05 -0.03 0.00 -0.30 0.00 0.00 42.92 40.90 1nnd s ASP 108 CO 0.01 0.00 0.01 -0.31 -0.17 0.00 0.00 175.17 174.71 1nnd s TYR 109 N 1.42 3.16 -0.11 -5.34 1.51 -1.26 0.27 117.35 117.00 1nnd s TYR 109 Ca 0.06 0.06 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 1nnd s TYR 109 Cb -0.15 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1nnd s TYR 109 CO 0.07 0.28 -0.13 -0.98 -1.11 0.00 0.00 175.55 173.67 1nnd s ARG 110 N -0.29 3.15 -0.07 -0.62 1.70 -0.87 -4.26 118.95 117.69 1nnd s ARG 110 Ca 0.07 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.34 1nnd s ARG 110 Cb -0.12 -2.56 -0.04 0.00 -0.57 0.00 0.00 34.95 31.66 1nnd s ARG 110 CO 0.02 0.32 1.36 -1.25 -1.08 0.00 0.00 175.30 174.67 1nnd s PRO 111 N 0.06 4.27 -0.14 3.89 0.04 -1.26 -0.90 135.00 140.95 1nnd s PRO 111 Ca -0.05 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 1nnd s PRO 111 Cb -0.15 -3.69 0.04 0.00 0.04 0.00 0.00 34.50 30.74 1nnd s PRO 111 CO 0.04 -0.63 -0.06 0.08 0.04 0.00 0.00 177.00 176.48 1nnd s VAL 112 N 2.93 1.05 0.09 -0.36 1.01 -0.02 -4.96 120.40 120.13 1nnd s VAL 112 Ca 0.61 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 1nnd s VAL 112 Cb -0.27 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 1nnd s VAL 112 CO 0.23 0.22 0.56 -1.58 0.00 0.00 0.00 175.10 174.52 1nnd s GLN 113 N 1.68 4.13 -0.55 2.72 0.74 -1.26 0.78 119.66 127.90 1nnd s GLN 113 Ca 0.02 0.66 -0.16 0.00 0.05 0.00 0.00 55.36 55.94 1nnd s GLN 113 Cb -0.14 -3.16 0.13 0.00 1.10 0.00 0.00 33.01 30.94 1nnd s GLN 113 CO -0.08 0.60 0.51 0.34 -0.55 0.00 0.00 175.29 176.12 1nnd s ASP 114 N -1.26 6.21 -0.04 6.67 2.15 -0.62 -4.86 116.67 124.93 1nnd s ASP 114 Ca 0.31 -1.82 0.15 0.00 0.43 0.00 0.00 52.55 51.62 1nnd s ASP 114 Cb -0.18 -2.21 0.49 0.00 -0.30 0.00 0.00 42.92 40.72 1nnd s ASP 114 CO 0.19 -0.85 1.39 0.18 -0.17 0.00 0.00 175.17 175.90 1nnd n LEU 115 N 5.21 3.15 -0.29 -1.34 4.77 -1.26 -4.35 117.00 122.89 1nnd n LEU 115 Ca -0.13 -1.58 -0.01 0.00 -0.03 0.00 0.00 56.01 54.26 1nnd n LEU 115 Cb 0.40 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1nnd n LEU 115 CO 0.53 0.67 0.63 0.00 -1.33 0.00 0.00 177.39 177.89 1nnd h ALA 116 N 3.86 0.20 0.00 -1.18 0.00 -1.91 0.27 119.26 120.50 1nnd h ALA 116 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1nnd h ALA 116 Cb 0.88 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1nnd h ALA 116 CO 0.07 -0.58 -0.12 0.93 0.00 0.00 0.00 179.25 179.55 1nnd h GLU 117 N -0.06 0.00 0.10 0.00 4.39 -2.00 -1.58 114.58 115.43 1nnd h GLU 117 Ca 0.32 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.85 1nnd h GLU 117 Cb 0.59 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1nnd h GLU 117 CO -0.84 0.12 -0.81 0.28 -1.16 0.00 0.00 179.01 176.60 1nnd h VAL 118 N 0.00 1.43 -0.81 3.13 2.07 -1.10 -3.24 116.25 117.73 1nnd h VAL 118 Ca -0.00 -2.46 0.09 0.00 0.82 0.00 0.00 66.70 65.15 1nnd h VAL 118 Cb 0.23 3.09 -0.07 0.00 -1.52 0.00 0.00 31.29 33.02 1nnd h VAL 118 CO 0.02 0.67 0.46 0.78 0.02 0.00 0.00 177.57 179.52 1nnd h ASN 119 N -0.51 0.65 -0.56 0.57 2.35 -0.46 -0.46 115.58 117.16 1nnd h ASN 119 Ca -0.16 0.05 0.10 0.00 -0.55 0.00 0.00 56.30 55.73 1nnd h ASN 119 Cb 1.53 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.79 1nnd h ASN 119 CO 0.08 0.38 0.38 0.50 -1.65 0.00 0.00 177.43 177.12 1nnd h LYS 120 N 0.77 0.35 -0.02 0.81 3.64 -1.40 -2.43 116.57 118.31 1nnd h LYS 120 Ca 0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1nnd h LYS 120 Cb 0.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1nnd h LYS 120 CO -0.24 0.23 -0.29 0.54 -2.27 0.00 0.00 179.45 177.42 1nnd n ARG 121 N -4.47 1.34 -3.46 1.90 1.74 -0.23 -4.94 116.66 108.54 1nnd n ARG 121 Ca 0.09 -1.01 -0.34 0.00 -0.77 0.00 0.00 57.85 55.82 1nnd n ARG 121 Cb 0.37 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.27 1nnd n ARG 121 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1nnd s VAL 122 N -2.36 4.97 0.31 1.55 1.01 -0.88 -1.62 120.40 123.37 1nnd s VAL 122 Ca 0.24 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 1nnd s VAL 122 Cb 0.19 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 1nnd s VAL 122 CO 0.49 0.14 1.39 -0.70 0.00 0.00 0.00 175.10 176.42 1nnd s GLU 123 N -2.27 4.28 0.52 2.72 2.12 -0.39 -4.55 118.70 121.12 1nnd s GLU 123 Ca 0.40 2.31 -0.19 0.00 0.36 0.00 0.00 54.97 57.85 1nnd s GLU 123 Cb -0.13 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 31.12 1nnd s GLU 123 CO 0.20 -0.34 1.05 -0.51 -0.54 0.00 0.00 175.26 175.12 1nnd s ASP 124 N -0.08 6.18 -0.08 -1.70 -0.00 -1.26 -4.93 116.67 114.80 1nnd s ASP 124 Ca 0.54 1.90 0.03 0.00 -0.00 0.00 0.00 52.55 55.02 1nnd s ASP 124 Cb -0.42 -2.55 0.01 0.00 -0.00 0.00 0.00 42.92 39.96 1nnd s ASP 124 CO 0.51 -0.90 -0.18 -0.63 -0.00 0.00 0.00 175.17 173.97 1nnd s ILE 125 N -2.12 1.58 -0.62 0.77 1.01 -1.26 -5.09 121.20 115.47 1nnd s ILE 125 Ca 0.66 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 60.31 1nnd s ILE 125 Cb -0.16 -1.39 0.04 0.00 0.01 0.00 0.00 42.46 40.95 1nnd s ILE 125 CO 0.25 0.45 1.12 -1.00 0.00 0.00 0.00 174.94 175.76 1nnd s HIS 126 N 0.47 2.58 -0.38 3.97 3.76 -1.26 -4.96 115.29 119.48 1nnd s HIS 126 Ca -0.16 0.06 -0.41 0.00 -0.15 0.00 0.00 55.06 54.40 1nnd s HIS 126 Cb -0.16 -4.40 -0.16 0.00 1.11 0.00 0.00 32.58 28.97 1nnd s HIS 126 CO 0.06 -1.65 1.88 -2.30 -0.85 0.00 0.00 174.74 171.87 1nnd n PRO 127 N 8.32 0.71 -0.02 8.40 -0.02 -1.26 -4.79 135.00 146.34 1nnd n PRO 127 Ca 0.04 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 1nnd n PRO 127 Cb 0.48 -1.95 0.60 0.00 -0.02 0.00 0.00 33.50 32.61 1nnd n PRO 127 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1nnd n THR 128 N 5.33 0.05 -1.73 3.45 -1.04 -1.26 -4.86 114.28 114.22 1nnd n THR 128 Ca 0.35 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.82 1nnd n THR 128 Cb 0.08 -0.05 -0.03 0.00 -1.82 0.00 0.00 70.33 68.51 1nnd n THR 128 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nnd s VAL 129 N -1.95 2.84 0.00 12.58 1.01 -1.26 -4.96 120.40 128.66 1nnd s VAL 129 Ca 0.35 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1nnd s VAL 129 Cb 0.17 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1nnd s VAL 129 CO 0.28 -0.00 0.47 -2.65 0.00 0.00 0.00 175.10 173.20 1nnd n PRO 130 N 6.57 0.00 0.00 2.72 -0.02 -1.26 -4.99 135.00 138.02 1nnd n PRO 130 Ca 0.19 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1nnd n PRO 130 Cb 0.40 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 1nnd n PRO 130 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1nnd n ASN 131 N -0.70 0.00 0.31 2.55 2.85 -1.26 -4.99 115.26 114.01 1nnd n ASN 131 Ca 0.00 0.00 0.20 0.00 -0.11 0.00 0.00 54.58 54.67 1nnd n ASN 131 Cb 0.00 0.00 1.07 0.00 1.24 0.00 0.00 39.78 42.09 1nnd n ASN 131 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1nnd h PRO 132 N 0.00 0.00 0.00 1.20 0.13 -2.01 -2.58 132.00 128.74 1nnd h PRO 132 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nnd h PRO 132 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nnd h PRO 132 CO 0.00 0.00 -0.26 0.98 -0.23 0.00 0.00 178.00 178.49 1nnd n TYR 133 N -2.90 0.00 0.27 1.56 9.36 -1.26 -4.52 117.16 119.68 1nnd n TYR 133 Ca -0.03 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.29 1nnd n TYR 133 Cb 0.09 -0.13 0.39 0.00 -0.63 0.00 0.00 39.34 39.06 1nnd n TYR 133 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1nnd h ASN 134 N -0.26 0.00 0.09 2.98 4.21 -1.95 -1.81 115.58 118.84 1nnd h ASN 134 Ca 0.00 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 1nnd h ASN 134 Cb 0.26 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1nnd h ASN 134 CO 0.00 0.00 -0.04 0.25 -1.29 0.00 0.00 177.43 176.35 1nnd h LEU 135 N 0.00 -0.10 -1.04 1.61 5.85 -1.69 -3.23 115.31 116.71 1nnd h LEU 135 Ca 0.05 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1nnd h LEU 135 Cb 1.52 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.50 1nnd h LEU 135 CO -0.00 -0.06 0.63 -0.07 -0.34 0.00 0.00 178.44 178.60 1nnd h LEU 136 N -0.13 0.99 -1.14 2.25 4.07 -1.57 -1.73 115.31 118.05 1nnd h LEU 136 Ca -0.01 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1nnd h LEU 136 Cb 0.09 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1nnd h LEU 136 CO 0.02 0.61 0.33 0.28 -1.08 0.00 0.00 178.44 178.60 1nnd h SER 137 N 1.11 0.00 1.42 -0.43 0.02 -1.54 0.44 113.55 114.57 1nnd h SER 137 Ca 0.44 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.34 1nnd h SER 137 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1nnd h SER 137 CO -0.18 0.00 -0.59 1.23 -1.14 0.00 0.00 176.83 176.14 1nnd h GLY 138 N 0.00 0.00 -5.40 -3.77 0.00 -1.33 -3.46 103.07 89.11 1nnd h GLY 138 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1nnd h GLY 138 CO 0.00 0.00 1.15 1.04 0.00 0.00 0.00 176.54 178.73 1nnd n LEU 139 N -2.99 3.88 -4.79 3.11 4.77 0.15 -4.97 117.00 116.16 1nnd n LEU 139 Ca 0.00 0.95 -0.36 0.00 -0.03 0.00 0.00 56.01 56.57 1nnd n LEU 139 Cb 0.63 -1.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.19 1nnd n LEU 139 CO 0.38 0.10 0.69 -2.16 -1.33 0.00 0.00 177.39 175.07 1nnd s PRO 140 N 3.84 4.28 0.22 3.23 0.04 -1.26 -4.93 135.00 140.42 1nnd s PRO 140 Ca 0.88 1.38 0.19 0.00 0.04 0.00 0.00 61.00 63.49 1nnd s PRO 140 Cb -0.54 -2.52 0.88 0.00 0.04 0.00 0.00 34.50 32.36 1nnd s PRO 140 CO 0.44 -0.01 1.57 -2.30 0.04 0.00 0.00 177.00 176.74 1nnd n PRO 141 N -0.04 0.13 0.26 0.56 -0.02 -1.26 -2.08 135.00 132.54 1nnd n PRO 141 Ca 0.05 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1nnd n PRO 141 Cb 0.51 -1.81 0.67 0.00 -0.02 0.00 0.00 33.50 32.85 1nnd n PRO 141 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1nnd h SER 142 N 0.00 0.00 -3.61 2.55 4.64 -1.97 -3.36 113.55 111.80 1nnd h SER 142 Ca 0.00 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.57 1nnd h SER 142 Cb 0.17 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.97 1nnd h SER 142 CO 0.00 0.13 -0.20 -1.00 -0.87 0.00 0.00 176.83 174.89 1nnd s HIS 143 N -3.95 3.51 -1.01 4.77 3.76 -0.88 -4.49 115.29 116.99 1nnd s HIS 143 Ca -0.01 -2.00 0.23 0.00 -0.15 0.00 0.00 55.06 53.12 1nnd s HIS 143 Cb 0.12 -3.58 0.12 0.00 1.11 0.00 0.00 32.58 30.34 1nnd s HIS 143 CO 0.58 -0.97 1.15 1.04 -0.85 0.00 0.00 174.74 175.69 1nnd n GLN 144 N 4.36 0.01 -3.89 1.40 1.13 -1.11 -4.75 117.38 114.53 1nnd n GLN 144 Ca 0.01 -0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.71 1nnd n GLN 144 Cb 0.42 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 29.16 1nnd n GLN 144 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1nnd s TRP 145 N -3.00 3.16 0.16 1.08 0.52 -1.11 -4.43 118.94 115.31 1nnd s TRP 145 Ca 0.09 -0.16 0.10 0.00 0.02 0.00 0.00 56.10 56.16 1nnd s TRP 145 Cb 0.17 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 1nnd s TRP 145 CO 0.79 -0.11 -0.23 0.71 0.02 0.00 0.00 176.95 178.13 1nnd s TYR 146 N 1.04 2.14 -0.07 -1.98 2.02 0.11 -1.07 117.35 119.54 1nnd s TYR 146 Ca 0.04 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.34 1nnd s TYR 146 Cb -0.14 -1.10 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 1nnd s TYR 146 CO 0.03 0.38 -0.01 0.99 -1.57 0.00 0.00 175.55 175.37 1nnd s THR 147 N -1.48 0.42 -0.09 -0.71 2.01 -0.56 0.45 115.64 115.68 1nnd s THR 147 Ca 0.16 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1nnd s THR 147 Cb -0.08 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1nnd s THR 147 CO 0.07 0.26 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.47 1nnd s VAL 148 N 1.79 3.39 0.00 3.82 1.01 -0.09 -0.50 120.40 129.83 1nnd s VAL 148 Ca 0.02 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1nnd s VAL 148 Cb -0.13 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 1nnd s VAL 148 CO -0.05 0.56 -0.02 -0.76 0.00 0.00 0.00 175.10 174.83 1nnd s LEU 149 N -0.30 2.02 -0.10 3.92 1.43 0.10 -2.32 118.68 123.43 1nnd s LEU 149 Ca 0.03 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1nnd s LEU 149 Cb -0.13 -0.09 -0.00 0.00 0.03 0.00 0.00 46.19 46.01 1nnd s LEU 149 CO 0.03 0.00 -0.23 1.51 0.23 0.00 0.00 176.35 177.89 1nnd s ASP 150 N -0.14 3.14 0.02 2.29 -4.77 -1.26 0.16 116.67 116.11 1nnd s ASP 150 Ca -0.00 -0.55 -0.29 0.00 -3.30 0.00 0.00 52.55 48.41 1nnd s ASP 150 Cb -0.01 -1.42 -0.04 0.00 -1.09 0.00 0.00 42.92 40.36 1nnd s ASP 150 CO -0.00 0.16 0.94 -0.76 0.70 0.00 0.00 175.17 176.20 1nnd s LEU 151 N 0.36 4.39 0.03 2.11 1.43 0.55 -1.34 118.68 126.21 1nnd s LEU 151 Ca -0.18 1.63 -0.29 0.00 -1.03 0.00 0.00 54.13 54.25 1nnd s LEU 151 Cb -0.18 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1nnd s LEU 151 CO 0.08 -0.19 0.94 -0.75 0.23 0.00 0.00 176.35 176.66 1nnd s LYS 152 N 0.74 4.58 -1.44 1.70 2.47 0.12 -3.93 119.74 123.98 1nnd s LYS 152 Ca 0.49 1.37 -0.03 0.00 -1.56 0.00 0.00 55.97 56.24 1nnd s LYS 152 Cb -0.21 -3.43 0.02 0.00 -1.46 0.00 0.00 37.83 32.75 1nnd s LYS 152 CO 0.27 0.05 0.49 -0.25 0.16 0.00 0.00 175.35 176.07 1nnd n ASP 153 N 3.54 -0.85 -0.04 1.43 8.00 -1.26 -4.69 116.55 122.68 1nnd n ASP 153 Ca 0.04 -0.99 -0.08 0.00 0.71 0.00 0.00 54.79 54.46 1nnd n ASP 153 Cb 0.50 -3.08 -0.02 0.00 -0.02 0.00 0.00 41.12 38.51 1nnd n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nnd h ALA 154 N 0.85 -0.14 -0.90 2.24 0.00 -1.93 -2.39 119.26 116.99 1nnd h ALA 154 Ca -0.62 0.07 0.17 0.00 0.00 0.00 0.00 54.91 54.53 1nnd h ALA 154 Cb 1.38 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 19.56 1nnd h ALA 154 CO 0.64 -0.67 0.48 0.74 0.00 0.00 0.00 179.25 180.45 1nnd h PHE 155 N -0.25 0.84 0.00 0.00 0.04 -1.89 0.12 116.94 115.80 1nnd h PHE 155 Ca 0.13 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1nnd h PHE 155 Cb 0.46 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1nnd h PHE 155 CO -0.39 0.17 0.00 1.19 -0.60 0.00 0.00 178.31 178.68 1nnd n PHE 156 N -4.86 0.00 0.24 -0.55 3.72 -0.91 -2.07 117.46 113.04 1nnd n PHE 156 Ca 0.19 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.73 1nnd n PHE 156 Cb 0.50 -0.50 0.29 0.00 -0.94 0.00 0.00 39.48 38.83 1nnd n PHE 156 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nnd s LEU 158 N -6.16 4.15 0.54 0.00 1.43 -0.88 -0.88 118.68 116.88 1nnd s LEU 158 Ca 0.06 0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.36 1nnd s LEU 158 Cb 0.06 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 1nnd s LEU 158 CO 0.64 0.01 1.00 -0.13 0.23 0.00 0.00 176.35 178.09 1nnd s ARG 159 N 1.07 3.86 -0.15 1.70 0.52 -1.26 -0.49 118.95 124.19 1nnd s ARG 159 Ca 0.14 0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 56.24 1nnd s ARG 159 Cb -0.14 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 1nnd s ARG 159 CO 0.06 -0.35 -0.02 -0.51 0.02 0.00 0.00 175.30 174.50 1nnd s LEU 160 N -4.28 3.34 0.25 2.53 1.43 0.13 -0.90 118.68 121.18 1nnd s LEU 160 Ca 0.58 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 1nnd s LEU 160 Cb -0.10 -1.80 -0.10 0.00 0.03 0.00 0.00 46.19 44.21 1nnd s LEU 160 CO 0.35 0.19 1.41 -2.28 0.23 0.00 0.00 176.35 176.26 1nnd s HIS 161 N 0.22 3.04 0.65 0.29 5.65 0.94 -4.69 115.29 121.39 1nnd s HIS 161 Ca -0.01 1.10 0.24 0.00 0.25 0.00 0.00 55.06 56.63 1nnd s HIS 161 Cb -0.14 -3.78 1.26 0.00 -1.18 0.00 0.00 32.58 28.74 1nnd s HIS 161 CO 0.02 -2.48 1.71 -1.00 -0.65 0.00 0.00 174.74 172.35 1nnd h PRO 162 N 4.85 0.00 0.00 2.88 0.13 -1.96 0.97 132.00 138.86 1nnd h PRO 162 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1nnd h PRO 162 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1nnd h PRO 162 CO 0.76 0.00 -0.55 1.79 -0.23 0.00 0.00 178.00 179.77 1nnd h THR 163 N 0.00 1.13 0.00 1.56 1.35 -1.93 -3.23 112.91 111.79 1nnd h THR 163 Ca 0.06 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 1nnd h THR 163 Cb 1.12 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1nnd h THR 163 CO -0.00 0.54 -1.41 -1.20 -0.25 0.00 0.00 175.52 173.19 1nnd n SER 164 N -3.51 0.51 -0.30 5.36 7.64 0.28 -4.49 113.62 119.11 1nnd n SER 164 Ca 0.00 -0.40 0.07 0.00 1.01 0.00 0.00 58.87 59.56 1nnd n SER 164 Cb 0.64 1.35 0.23 0.00 -1.01 0.00 0.00 64.21 65.42 1nnd n SER 164 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1nnd h GLN 165 N 0.00 0.64 -0.23 1.43 4.20 -1.43 -2.22 115.11 117.50 1nnd h GLN 165 Ca 0.00 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.74 1nnd h GLN 165 Cb 0.76 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1nnd h GLN 165 CO 0.00 0.43 0.31 -1.35 -0.67 0.00 0.00 178.83 177.54 1nnd h PRO 166 N 0.66 0.00 -0.88 1.46 0.11 -1.79 -2.75 132.00 128.82 1nnd h PRO 166 Ca 0.47 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.64 1nnd h PRO 166 Cb 0.65 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.71 1nnd h PRO 166 CO -0.35 0.00 0.57 -0.07 -0.21 0.00 0.00 178.00 177.94 1nnd h LEU 167 N 0.00 0.87 -3.47 2.35 3.38 -1.72 -2.97 115.31 113.76 1nnd h LEU 167 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1nnd h LEU 167 Cb 0.73 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1nnd h LEU 167 CO -0.00 0.56 0.04 0.49 0.09 0.00 0.00 178.44 179.63 1nnd n PHE 168 N -4.48 2.06 -1.81 1.13 3.72 -1.03 -4.64 117.46 112.39 1nnd n PHE 168 Ca 0.13 -0.76 -0.35 0.00 -0.05 0.00 0.00 57.45 56.42 1nnd n PHE 168 Cb 0.20 -0.53 0.05 0.00 -0.94 0.00 0.00 39.48 38.26 1nnd n PHE 168 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nnd s ALA 169 N -2.71 2.41 0.20 4.37 0.00 -1.12 -4.55 121.76 120.37 1nnd s ALA 169 Ca 0.52 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 1nnd s ALA 169 Cb 0.40 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.09 1nnd s ALA 169 CO 0.15 -1.37 0.40 -0.59 0.00 0.00 0.00 175.76 174.35 1nnd s PHE 170 N -1.86 0.32 0.05 0.00 -0.12 -0.17 -1.86 117.98 114.35 1nnd s PHE 170 Ca 0.74 -0.68 -0.15 0.00 -0.05 0.00 0.00 56.93 56.80 1nnd s PHE 170 Cb -0.28 0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.15 1nnd s PHE 170 CO 0.38 -0.86 0.46 -1.21 -0.05 0.00 0.00 175.22 173.94 1nnd s GLU 171 N -3.98 3.97 -0.13 1.99 2.02 -1.26 -0.86 118.70 120.45 1nnd s GLU 171 Ca 0.19 0.46 -0.06 0.00 0.02 0.00 0.00 54.97 55.58 1nnd s GLU 171 Cb 0.01 -3.15 0.06 0.00 0.10 0.00 0.00 34.13 31.15 1nnd s GLU 171 CO 0.04 0.63 0.29 -0.46 0.02 0.00 0.00 175.26 175.77 1nnd s TRP 172 N -1.19 -0.42 -0.02 1.61 -0.11 0.23 -4.88 118.94 114.16 1nnd s TRP 172 Ca 0.28 0.96 -0.04 0.00 1.22 0.00 0.00 56.10 58.52 1nnd s TRP 172 Cb -0.17 0.08 0.00 0.00 -1.50 0.00 0.00 33.47 31.89 1nnd s TRP 172 CO 0.16 -0.30 0.10 1.03 -4.62 0.00 0.00 176.95 173.32 1nnd s ARG 173 N 1.64 0.25 -0.29 5.86 0.52 -1.26 -1.68 118.95 123.99 1nnd s ARG 173 Ca -0.06 -0.09 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 1nnd s ARG 173 Cb -0.11 0.11 0.20 0.00 0.52 0.00 0.00 34.95 35.67 1nnd s ARG 173 CO -0.09 -0.05 0.64 0.34 0.02 0.00 0.00 175.30 176.15 1nnd s ASP 174 N -0.53 -1.49 0.00 0.23 -1.08 -1.16 -5.04 116.67 107.61 1nnd s ASP 174 Ca -0.06 0.27 0.00 0.00 -0.52 0.00 0.00 52.55 52.24 1nnd s ASP 174 Cb -0.04 1.98 0.00 0.00 -1.46 0.00 0.00 42.92 43.41 1nnd s ASP 174 CO 0.00 -0.27 0.08 -2.65 0.52 0.00 0.00 175.17 172.85 1nnd n PRO 175 N 5.40 0.00 -1.74 4.34 -0.02 -1.26 -2.21 135.00 139.50 1nnd n PRO 175 Ca 0.04 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1nnd n PRO 175 Cb 0.54 -0.35 -0.01 0.00 -0.02 0.00 0.00 33.50 33.66 1nnd n PRO 175 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1nnd n GLU 176 N -0.22 3.72 0.02 -0.52 1.02 -1.26 -3.96 120.64 119.43 1nnd n GLU 176 Ca 0.00 -2.82 0.00 0.00 -0.02 0.00 0.00 57.16 54.32 1nnd n GLU 176 Cb 0.00 -2.89 0.00 0.00 -0.02 0.00 0.00 31.44 28.53 1nnd n GLU 176 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1nnd n MET 177 N 3.75 0.00 0.00 3.49 1.56 -0.94 -5.08 117.12 119.90 1nnd n MET 177 Ca 0.62 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 58.05 1nnd n MET 177 Cb 0.29 -0.19 0.00 0.00 2.15 0.00 0.00 33.22 35.47 1nnd n MET 177 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1nnd n GLY 178 N 2.10 0.47 3.35 -5.12 0.00 -1.25 -5.13 105.19 99.62 1nnd n GLY 178 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1nnd n GLY 178 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nnd s ILE 179 N 0.00 0.07 -0.28 -0.61 -4.36 -1.26 -5.12 121.20 109.63 1nnd s ILE 179 Ca 0.00 -1.11 0.01 0.00 -0.26 0.00 0.00 60.65 59.29 1nnd s ILE 179 Cb 0.00 -1.60 0.18 0.00 1.25 0.00 0.00 42.46 42.29 1nnd s ILE 179 CO 0.00 -0.33 0.52 -0.55 0.24 0.00 0.00 174.94 174.81 1nnd s SER 180 N -2.90 -0.79 0.00 4.36 0.15 -1.26 -2.96 113.70 110.30 1nnd s SER 180 Ca 0.11 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1nnd s SER 180 Cb 0.02 1.72 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1nnd s SER 180 CO -0.04 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1nnd n GLY 181 N 5.40 -0.61 3.91 9.45 0.00 -0.67 -5.01 105.19 117.66 1nnd n GLY 181 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1nnd n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nnd s GLN 182 N -1.48 3.39 0.19 1.61 -0.21 -1.25 -0.60 119.66 121.31 1nnd s GLN 182 Ca 0.00 -0.51 0.04 0.00 0.02 0.00 0.00 55.36 54.91 1nnd s GLN 182 Cb 0.00 -2.99 -0.05 0.00 1.00 0.00 0.00 33.01 30.97 1nnd s GLN 182 CO 0.00 0.58 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.18 1nnd s LEU 183 N -2.73 2.36 0.26 2.90 1.43 -0.04 -1.54 118.68 121.32 1nnd s LEU 183 Ca 0.34 -1.11 -0.19 0.00 -1.03 0.00 0.00 54.13 52.14 1nnd s LEU 183 Cb -0.12 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.81 1nnd s LEU 183 CO 0.28 -0.42 0.63 0.28 0.23 0.00 0.00 176.35 177.35 1nnd s THR 184 N -3.38 0.00 0.17 5.49 -1.32 -0.42 -1.00 115.64 115.18 1nnd s THR 184 Ca 0.22 -1.04 -0.09 0.00 -1.21 0.00 0.00 61.69 59.58 1nnd s THR 184 Cb 0.04 -1.96 -0.07 0.00 -1.51 0.00 0.00 72.50 69.00 1nnd s THR 184 CO 0.05 -0.01 0.48 0.26 -2.21 0.00 0.00 174.62 173.18 1nnd s TRP 185 N -3.93 3.49 -1.70 9.09 0.52 -1.26 -1.43 118.94 123.71 1nnd s TRP 185 Ca 0.13 0.81 0.14 0.00 0.02 0.00 0.00 56.10 57.20 1nnd s TRP 185 Cb -0.04 -2.20 0.13 0.00 -1.15 0.00 0.00 33.47 30.21 1nnd s TRP 185 CO 0.06 0.38 0.97 0.25 0.02 0.00 0.00 176.95 178.62 1nnd n THR 186 N 0.24 0.07 -4.33 2.01 -2.24 -0.34 -4.73 114.28 104.96 1nnd n THR 186 Ca -0.03 -0.53 -0.17 0.00 -2.27 0.00 0.00 64.05 61.05 1nnd n THR 186 Cb 0.52 1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 69.89 1nnd n THR 186 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1nnd s ARG 187 N -1.15 1.29 0.05 -0.78 1.81 -1.26 0.19 118.95 119.11 1nnd s ARG 187 Ca 0.17 -1.62 -0.31 0.00 -1.72 0.00 0.00 55.73 52.25 1nnd s ARG 187 Cb 0.12 -0.80 -0.10 0.00 -0.45 0.00 0.00 34.95 33.72 1nnd s ARG 187 CO 0.18 0.02 1.90 -0.11 -0.68 0.00 0.00 175.30 176.60 1nnd n LEU 188 N -0.38 3.97 -4.92 2.53 7.94 0.35 -4.67 117.00 121.83 1nnd n LEU 188 Ca -0.07 0.95 -0.26 0.00 -1.11 0.00 0.00 56.01 55.52 1nnd n LEU 188 Cb 0.62 -1.50 0.01 0.00 0.53 0.00 0.00 43.42 43.07 1nnd n LEU 188 CO 0.36 0.13 0.41 -2.16 -1.11 0.00 0.00 177.39 175.02 1nnd s PRO 189 N 3.63 3.35 0.48 1.96 0.04 -1.26 -3.70 135.00 139.50 1nnd s PRO 189 Ca 0.87 0.01 -0.20 0.00 0.04 0.00 0.00 61.00 61.71 1nnd s PRO 189 Cb -0.50 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.54 1nnd s PRO 189 CO 0.42 -0.27 1.03 -0.65 0.04 0.00 0.00 177.00 177.57 1nnd s GLN 190 N -4.71 3.84 0.00 4.56 -1.52 -1.26 -3.39 119.66 117.17 1nnd s GLN 190 Ca 0.48 1.33 0.00 0.00 -1.95 0.00 0.00 55.36 55.21 1nnd s GLN 190 Cb -0.10 -2.10 0.00 0.00 -0.22 0.00 0.00 33.01 30.59 1nnd s GLN 190 CO 0.43 -0.40 0.00 0.41 -0.25 0.00 0.00 175.29 175.48 1nnd n GLY 191 N -0.32 1.77 3.64 3.09 0.00 -1.26 -4.88 105.19 107.23 1nnd n GLY 191 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1nnd n GLY 191 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nnd s PHE 192 N -2.55 3.32 0.55 1.61 5.36 -1.22 -4.59 117.98 120.46 1nnd s PHE 192 Ca 0.00 1.13 0.31 0.00 -0.96 0.00 0.00 56.93 57.40 1nnd s PHE 192 Cb 0.00 -3.03 1.47 0.00 -0.34 0.00 0.00 43.02 41.12 1nnd s PHE 192 CO 0.00 -0.38 1.89 1.57 -1.46 0.00 0.00 175.22 176.84 1nnd h LYS 193 N 7.65 0.00 -0.02 10.12 2.10 -1.94 -2.01 116.57 132.47 1nnd h LYS 193 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1nnd h LYS 193 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1nnd h LYS 193 CO 0.86 0.00 -0.08 0.09 -2.00 0.00 0.00 179.45 178.32 1nnd n ASN 194 N -4.18 1.96 -0.03 7.07 3.02 -1.26 -4.49 115.26 117.34 1nnd n ASN 194 Ca 0.17 -1.57 -0.10 0.00 -0.03 0.00 0.00 54.58 53.04 1nnd n ASN 194 Cb 0.91 0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 40.11 1nnd n ASN 194 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1nnd h SER 195 N 2.95 0.13 -0.20 6.41 0.02 -1.68 -0.75 113.55 120.43 1nnd h SER 195 Ca 0.00 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1nnd h SER 195 Cb 0.68 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.14 1nnd h SER 195 CO 0.00 0.10 -0.27 -0.65 -1.14 0.00 0.00 176.83 174.87 1nnd h PRO 196 N 0.18 -0.29 0.04 3.45 0.11 -1.80 0.60 132.00 134.30 1nnd h PRO 196 Ca 0.07 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1nnd h PRO 196 Cb 0.01 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1nnd h PRO 196 CO -0.05 -0.19 -0.02 1.15 -0.21 0.00 0.00 178.00 178.68 1nnd h THR 197 N -0.30 1.10 -0.73 -1.15 2.02 -1.84 -0.88 112.91 111.13 1nnd h THR 197 Ca 0.12 -0.47 0.09 0.00 0.77 0.00 0.00 66.41 66.93 1nnd h THR 197 Cb 0.49 1.41 -0.07 0.00 -1.74 0.00 0.00 68.15 68.24 1nnd h THR 197 CO -0.37 0.12 0.38 -0.07 0.37 0.00 0.00 175.52 175.95 1nnd h LEU 198 N -0.26 0.50 -0.44 2.58 3.38 -0.92 0.37 115.31 120.52 1nnd h LEU 198 Ca -0.01 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1nnd h LEU 198 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1nnd h LEU 198 CO 0.01 0.29 -0.29 0.15 0.09 0.00 0.00 178.44 178.69 1nnd h PHE 199 N 0.64 1.15 -0.54 1.13 3.57 -0.79 -2.06 116.94 120.04 1nnd h PHE 199 Ca 0.36 -0.31 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1nnd h PHE 199 Cb 0.37 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1nnd h PHE 199 CO -0.10 1.14 0.30 0.22 -2.23 0.00 0.00 178.31 177.64 1nnd h ASP 200 N 0.82 0.67 -0.45 0.41 3.58 -0.21 -0.27 116.42 120.99 1nnd h ASP 200 Ca 0.09 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1nnd h ASP 200 Cb 0.88 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 1nnd h ASP 200 CO 0.08 0.57 0.15 -0.33 -2.88 0.00 0.00 179.24 176.82 1nnd h GLU 201 N 0.73 0.69 -0.05 0.28 5.08 -0.90 -0.50 114.58 119.90 1nnd h GLU 201 Ca 0.19 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1nnd h GLU 201 Cb 0.04 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1nnd h GLU 201 CO -0.03 0.66 0.03 0.00 -1.00 0.00 0.00 179.01 178.67 1nnd h ALA 202 N 1.00 0.07 -0.20 3.43 0.00 -1.13 -0.93 119.26 121.50 1nnd h ALA 202 Ca 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1nnd h ALA 202 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1nnd h ALA 202 CO -0.01 -0.42 -0.09 1.25 0.00 0.00 0.00 179.25 179.99 1nnd h LEU 203 N 0.05 0.28 -0.64 0.00 5.85 -0.97 -0.84 115.31 119.03 1nnd h LEU 203 Ca 0.02 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1nnd h LEU 203 Cb 0.02 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1nnd h LEU 203 CO -0.00 0.41 0.07 0.45 -0.34 0.00 0.00 178.44 179.03 1nnd h HIS 204 N 0.29 1.17 -0.34 1.25 3.86 -0.56 -1.24 115.15 119.58 1nnd h HIS 204 Ca 0.06 -0.18 -0.07 0.00 -1.16 0.00 0.00 60.37 59.02 1nnd h HIS 204 Cb 0.34 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1nnd h HIS 204 CO 0.01 1.00 -0.08 0.00 0.86 0.00 0.00 177.93 179.71 1nnd h ARG 205 N 1.00 0.65 0.00 2.45 3.08 -0.37 -2.67 114.38 118.53 1nnd h ARG 205 Ca 0.19 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1nnd h ARG 205 Cb 0.48 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1nnd h ARG 205 CO 0.02 0.82 -0.23 -0.44 -1.07 0.00 0.00 179.97 179.06 1nnd h ASP 206 N 0.43 0.00 -0.21 7.04 3.32 -1.00 -3.11 116.42 122.90 1nnd h ASP 206 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nnd h ASP 206 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1nnd h ASP 206 CO 0.03 0.23 0.00 0.18 -1.72 0.00 0.00 179.24 177.97 1nnd n LEU 207 N -3.79 3.13 0.20 1.55 4.77 -0.48 -4.61 117.00 117.76 1nnd n LEU 207 Ca -0.02 -1.27 -0.16 0.00 -0.03 0.00 0.00 56.01 54.54 1nnd n LEU 207 Cb 0.33 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1nnd n LEU 207 CO 0.34 0.61 0.58 0.00 -1.33 0.00 0.00 177.39 177.60 1nnd h ALA 208 N 4.30 -0.86 -0.89 -1.18 0.00 -1.40 -2.36 119.26 116.87 1nnd h ALA 208 Ca 0.00 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.98 1nnd h ALA 208 Cb 0.94 0.65 -0.11 0.00 0.00 0.00 0.00 17.79 19.27 1nnd h ALA 208 CO 0.00 -1.03 0.45 -0.44 0.00 0.00 0.00 179.25 178.22 1nnd h ASP 209 N -0.78 0.48 -0.77 0.00 3.32 -1.82 0.17 116.42 117.03 1nnd h ASP 209 Ca -0.02 0.12 0.13 0.00 0.02 0.00 0.00 57.03 57.29 1nnd h ASP 209 Cb 0.73 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.25 1nnd h ASP 209 CO -0.14 0.12 0.35 0.15 -1.72 0.00 0.00 179.24 178.01 1nnd h PHE 210 N 0.54 0.62 0.00 4.55 3.57 -1.72 0.28 116.94 124.78 1nnd h PHE 210 Ca 0.53 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.06 1nnd h PHE 210 Cb 0.89 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1nnd h PHE 210 CO -0.10 0.14 -0.00 0.00 -2.23 0.00 0.00 178.31 176.12 1nnd h ARG 211 N 0.54 -0.00 -0.25 1.11 3.08 -0.75 -1.88 114.38 116.22 1nnd h ARG 211 Ca 0.41 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 1nnd h ARG 211 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1nnd h ARG 211 CO -0.35 0.16 0.07 0.82 -1.07 0.00 0.00 179.97 179.59 1nnd h ILE 212 N -0.16 1.12 0.00 2.04 5.03 -1.12 -1.80 117.51 122.62 1nnd h ILE 212 Ca -0.00 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 64.33 1nnd h ILE 212 Cb 0.16 0.86 0.00 0.00 -3.03 0.00 0.00 36.82 34.81 1nnd h ILE 212 CO 0.00 0.15 -0.01 0.00 -0.68 0.00 0.00 178.15 177.61 1nnd n GLN 213 N -4.40 0.13 -3.11 2.37 1.13 0.03 -4.16 117.38 109.37 1nnd n GLN 213 Ca 0.01 0.10 -0.19 0.00 -1.94 0.00 0.00 57.00 54.98 1nnd n GLN 213 Cb 0.15 -1.65 -0.03 0.00 0.11 0.00 0.00 30.24 28.83 1nnd n GLN 213 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1nnd n HIS 214 N -1.87 0.91 0.22 1.08 8.25 -0.69 -4.94 115.22 118.17 1nnd n HIS 214 Ca 0.06 -3.78 0.14 0.00 -0.26 0.00 0.00 57.72 53.88 1nnd n HIS 214 Cb 0.38 -0.42 0.75 0.00 1.12 0.00 0.00 29.99 31.82 1nnd n HIS 214 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1nnd h PRO 215 N 2.99 0.00 -0.07 -0.41 0.13 -1.69 -0.26 132.00 132.69 1nnd h PRO 215 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1nnd h PRO 215 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1nnd h PRO 215 CO 0.56 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.93 1nnd n ASP 216 N -2.48 1.15 -4.41 1.44 5.75 -1.26 -4.83 116.55 111.91 1nnd n ASP 216 Ca -0.02 -1.50 -0.29 0.00 -0.01 0.00 0.00 54.79 52.97 1nnd n ASP 216 Cb 0.08 -0.04 -0.13 0.00 -1.03 0.00 0.00 41.12 40.00 1nnd n ASP 216 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1nnd s LEU 217 N -1.78 2.38 -0.17 -2.12 1.43 -0.11 -4.47 118.68 113.85 1nnd s LEU 217 Ca 0.36 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1nnd s LEU 217 Cb 0.19 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 1nnd s LEU 217 CO 0.30 0.19 -0.03 -0.63 0.23 0.00 0.00 176.35 176.40 1nnd s ILE 218 N -1.05 3.90 -0.26 -0.59 -1.09 -0.35 -4.96 121.20 116.80 1nnd s ILE 218 Ca 0.15 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.24 1nnd s ILE 218 Cb -0.10 -2.72 0.06 0.00 -1.58 0.00 0.00 42.46 38.11 1nnd s ILE 218 CO 0.06 0.48 -0.11 -0.22 -1.23 0.00 0.00 174.94 173.93 1nnd s LEU 219 N 0.52 3.44 -0.17 2.97 2.96 -1.26 -0.74 118.68 126.40 1nnd s LEU 219 Ca -0.03 -1.38 -0.11 0.00 -0.22 0.00 0.00 54.13 52.40 1nnd s LEU 219 Cb -0.14 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 1nnd s LEU 219 CO 0.03 -0.19 0.19 -0.76 -1.32 0.00 0.00 176.35 174.29 1nnd s LEU 220 N 1.11 4.26 -0.06 -0.68 1.02 -0.07 -4.99 118.68 119.27 1nnd s LEU 220 Ca -0.09 0.37 -0.02 0.00 0.02 0.00 0.00 54.13 54.41 1nnd s LEU 220 Cb -0.20 -2.18 0.04 0.00 0.02 0.00 0.00 46.19 43.87 1nnd s LEU 220 CO -0.05 0.20 0.11 0.00 0.02 0.00 0.00 176.35 176.64 1nnd s GLN 221 N 0.10 0.02 -0.31 1.70 -2.07 -1.26 -1.20 119.66 116.64 1nnd s GLN 221 Ca 0.12 0.39 -0.00 0.00 -1.82 0.00 0.00 55.36 54.05 1nnd s GLN 221 Cb -0.12 -0.27 0.10 0.00 -1.09 0.00 0.00 33.01 31.63 1nnd s GLN 221 CO 0.01 -0.23 0.09 -0.47 -1.32 0.00 0.00 175.29 173.37 1nnd s TYR 222 N 1.64 1.93 0.00 9.60 6.14 -0.91 -5.01 117.35 130.74 1nnd s TYR 222 Ca -0.03 -1.87 0.00 0.00 0.64 0.00 0.00 57.07 55.81 1nnd s TYR 222 Cb -0.12 -1.84 0.00 0.00 0.42 0.00 0.00 41.96 40.42 1nnd s TYR 222 CO -0.05 -0.88 0.00 0.28 0.64 0.00 0.00 175.55 175.54 1nnd n VAL 223 N 4.78 0.00 -0.51 3.14 0.31 -1.26 -2.00 118.33 122.79 1nnd n VAL 223 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.40 1nnd n VAL 223 Cb 0.42 0.00 0.26 0.00 -0.91 0.00 0.00 33.84 33.61 1nnd n VAL 223 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1nnd n ASP 224 N 11.63 3.85 -4.43 4.52 5.75 -1.26 -4.67 116.55 131.93 1nnd n ASP 224 Ca 0.00 -2.36 -0.34 0.00 -0.01 0.00 0.00 54.79 52.08 1nnd n ASP 224 Cb 0.00 -0.44 -0.13 0.00 -1.03 0.00 0.00 41.12 39.52 1nnd n ASP 224 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1nnd s ASP 225 N -1.16 4.59 0.11 -1.12 1.01 -0.85 -0.33 116.67 118.92 1nnd s ASP 225 Ca 0.39 -0.23 0.10 0.00 0.71 0.00 0.00 52.55 53.53 1nnd s ASP 225 Cb 0.25 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.38 1nnd s ASP 225 CO 0.19 0.11 -0.27 -0.76 0.21 0.00 0.00 175.17 174.65 1nnd s LEU 226 N 0.74 2.29 -0.05 1.23 1.43 0.43 -2.14 118.68 122.60 1nnd s LEU 226 Ca -0.02 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.37 1nnd s LEU 226 Cb -0.15 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 44.85 1nnd s LEU 226 CO 0.02 0.20 0.02 -0.22 0.23 0.00 0.00 176.35 176.60 1nnd s LEU 227 N -1.84 0.63 -0.13 1.79 0.20 -0.34 -0.72 118.68 118.27 1nnd s LEU 227 Ca 0.14 -0.02 -0.01 0.00 0.69 0.00 0.00 54.13 54.93 1nnd s LEU 227 Cb -0.10 -0.29 -0.02 0.00 -0.43 0.00 0.00 46.19 45.35 1nnd s LEU 227 CO 0.05 -0.18 -0.10 -0.22 -0.29 0.00 0.00 176.35 175.61 1nnd s LEU 228 N 1.74 2.90 -0.07 -0.68 2.96 0.35 -0.90 118.68 124.99 1nnd s LEU 228 Ca 0.00 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 1nnd s LEU 228 Cb -0.13 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 1nnd s LEU 228 CO -0.03 0.20 -0.21 0.00 -1.32 0.00 0.00 176.35 174.98 1nnd s ALA 229 N 0.17 1.87 0.31 5.97 0.00 0.08 -1.49 121.76 128.68 1nnd s ALA 229 Ca -0.05 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.14 1nnd s ALA 229 Cb -0.15 -0.66 -0.06 0.00 0.00 0.00 0.00 23.12 22.25 1nnd s ALA 229 CO 0.04 0.30 -0.06 0.00 0.00 0.00 0.00 175.76 176.04 1nnd s ALA 230 N 0.18 2.62 -2.11 0.00 0.00 -0.23 -1.21 121.76 121.01 1nnd s ALA 230 Ca -0.10 -2.01 0.15 0.00 0.00 0.00 0.00 51.96 50.00 1nnd s ALA 230 Cb -0.15 0.13 0.65 0.00 0.00 0.00 0.00 23.12 23.75 1nnd s ALA 230 CO 0.05 -0.03 1.46 0.25 0.00 0.00 0.00 175.76 177.48 1nnd n THR 231 N -0.69 0.19 -3.61 0.00 -2.24 -1.26 -2.75 114.28 103.92 1nnd n THR 231 Ca -0.05 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.46 1nnd n THR 231 Cb 0.64 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 1nnd n THR 231 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nnd s SER 232 N -1.38 -0.08 0.44 3.42 1.04 -1.26 -4.82 113.70 111.06 1nnd s SER 232 Ca 0.25 -0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.76 1nnd s SER 232 Cb 0.13 0.10 0.98 0.00 0.10 0.00 0.00 66.02 67.34 1nnd s SER 232 CO 0.20 -0.18 2.08 -0.08 0.98 0.00 0.00 173.24 176.24 1nnd h GLU 233 N 2.00 0.39 -0.14 4.02 4.81 -1.96 -1.40 114.58 122.29 1nnd h GLU 233 Ca -0.12 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1nnd h GLU 233 Cb 1.16 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1nnd h GLU 233 CO 0.23 0.26 -0.06 1.25 -0.73 0.00 0.00 179.01 179.95 1nnd h LEU 234 N 0.40 0.31 -1.01 1.64 5.85 -1.99 -1.09 115.31 119.42 1nnd h LEU 234 Ca 0.12 -0.41 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 1nnd h LEU 234 Cb 0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1nnd h LEU 234 CO -0.03 0.64 -0.22 0.44 -0.34 0.00 0.00 178.44 178.94 1nnd h ASP 235 N -0.03 0.45 -0.62 1.25 3.32 -1.89 -1.16 116.42 117.74 1nnd h ASP 235 Ca 0.03 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.85 1nnd h ASP 235 Cb 0.52 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1nnd h ASP 235 CO 0.02 0.68 0.02 0.00 -1.72 0.00 0.00 179.24 178.23 1nnd h GLN 237 N 1.00 0.20 -0.10 0.00 4.20 -0.58 0.14 115.11 119.97 1nnd h GLN 237 Ca 0.18 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.69 1nnd h GLN 237 Cb 0.55 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1nnd h GLN 237 CO 0.03 0.25 -0.65 1.96 -0.67 0.00 0.00 178.83 179.75 1nnd h GLN 238 N 0.10 0.39 -0.45 1.46 1.08 -1.10 -2.65 115.11 113.93 1nnd h GLN 238 Ca 0.05 -0.29 -0.13 0.00 -1.45 0.00 0.00 58.65 56.83 1nnd h GLN 238 Cb 0.12 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1nnd h GLN 238 CO -0.01 0.91 -0.23 0.78 -0.95 0.00 0.00 178.83 179.33 1nnd h GLY 239 N 1.29 1.02 0.94 3.46 0.00 0.36 -2.11 103.07 108.03 1nnd h GLY 239 Ca -0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 47.33 46.36 1nnd h GLY 239 CO 0.11 0.82 0.07 -0.84 0.00 0.00 0.00 176.54 176.70 1nnd h THR 240 N 0.81 1.24 -0.48 4.70 2.02 -0.71 -0.48 112.91 120.02 1nnd h THR 240 Ca 0.10 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.44 1nnd h THR 240 Cb 0.80 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 1nnd h THR 240 CO 0.07 0.30 0.26 0.03 0.37 0.00 0.00 175.52 176.55 1nnd h ARG 241 N 0.54 0.50 -0.72 6.66 3.08 -1.38 0.33 114.38 123.38 1nnd h ARG 241 Ca 0.12 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1nnd h ARG 241 Cb 0.37 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1nnd h ARG 241 CO 0.01 0.33 0.20 0.00 -1.07 0.00 0.00 179.97 179.44 1nnd h ALA 242 N 1.23 0.95 0.38 0.04 0.00 -1.19 -0.28 119.26 120.39 1nnd h ALA 242 Ca 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1nnd h ALA 242 Cb 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1nnd h ALA 242 CO -0.12 0.66 -0.18 1.25 0.00 0.00 0.00 179.25 180.86 1nnd h LEU 243 N 1.09 -0.43 -0.68 0.00 5.85 -0.40 -0.27 115.31 120.46 1nnd h LEU 243 Ca 0.23 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1nnd h LEU 243 Cb 0.35 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1nnd h LEU 243 CO -0.00 -0.23 0.37 -0.07 -0.34 0.00 0.00 178.44 178.17 1nnd h LEU 244 N -0.61 0.53 -0.36 2.25 3.38 -0.89 0.23 115.31 119.84 1nnd h LEU 244 Ca -0.05 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1nnd h LEU 244 Cb 0.45 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1nnd h LEU 244 CO 0.09 0.34 0.08 -0.61 0.09 0.00 0.00 178.44 178.42 1nnd h GLN 245 N 0.67 0.19 -0.73 1.13 5.75 -0.86 -0.09 115.11 121.17 1nnd h GLN 245 Ca 0.31 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.75 1nnd h GLN 245 Cb 0.23 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 1nnd h GLN 245 CO -0.20 0.13 0.27 1.15 -2.65 0.00 0.00 178.83 177.53 1nnd h THR 246 N 0.20 1.25 -0.63 2.39 2.02 0.21 -1.78 112.91 116.57 1nnd h THR 246 Ca 0.17 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1nnd h THR 246 Cb 0.19 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1nnd h THR 246 CO -0.22 0.33 0.04 -0.07 0.37 0.00 0.00 175.52 175.97 1nnd h LEU 247 N 1.06 1.06 -0.06 2.58 3.38 -0.07 -2.06 115.31 121.19 1nnd h LEU 247 Ca 0.24 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1nnd h LEU 247 Cb 0.24 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1nnd h LEU 247 CO -0.02 1.09 0.02 1.23 0.09 0.00 0.00 178.44 180.85 1nnd h GLY 248 N 1.01 0.10 0.50 0.83 0.00 -0.82 -0.77 103.07 103.94 1nnd h GLY 248 Ca 0.18 -0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.54 1nnd h GLY 248 CO 0.03 0.06 0.34 3.43 0.00 0.00 0.00 176.54 180.39 1nnd h ASN 249 N -0.09 0.44 1.00 0.19 -0.26 -1.26 -1.95 115.58 113.64 1nnd h ASN 249 Ca 0.02 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1nnd h ASN 249 Cb 0.21 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1nnd h ASN 249 CO -0.00 0.26 0.00 -0.07 -1.06 0.00 0.00 177.43 176.56 1nnd h LEU 250 N 0.58 0.00 0.00 1.61 3.38 -1.16 -3.46 115.31 116.26 1nnd h LEU 250 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1nnd h LEU 250 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1nnd h LEU 250 CO -0.26 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.88 1nnd n GLY 251 N 0.01 0.85 3.93 0.83 0.00 -0.61 -1.27 105.19 108.93 1nnd n GLY 251 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1nnd n GLY 251 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nnd s TYR 252 N -2.00 2.83 -0.13 1.61 2.02 -0.39 -0.74 117.35 120.54 1nnd s TYR 252 Ca 0.00 0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 57.04 1nnd s TYR 252 Cb 0.00 -3.20 0.06 0.00 -0.40 0.00 0.00 41.96 38.42 1nnd s TYR 252 CO 0.00 -1.44 0.27 1.03 -1.57 0.00 0.00 175.55 173.84 1nnd s ARG 253 N -5.25 0.17 0.41 -0.62 1.81 -1.26 -4.43 118.95 109.79 1nnd s ARG 253 Ca 0.61 0.74 0.02 0.00 -1.72 0.00 0.00 55.73 55.38 1nnd s ARG 253 Cb -0.10 -0.02 -0.00 0.00 -0.45 0.00 0.00 34.95 34.37 1nnd s ARG 253 CO 0.45 -0.26 0.60 0.00 -0.68 0.00 0.00 175.30 175.41 1nnd s ALA 254 N 2.23 3.92 -0.56 2.13 0.00 0.38 0.16 121.76 130.03 1nnd s ALA 254 Ca -0.01 -1.20 -0.24 0.00 0.00 0.00 0.00 51.96 50.51 1nnd s ALA 254 Cb -0.12 -1.98 0.04 0.00 0.00 0.00 0.00 23.12 21.07 1nnd s ALA 254 CO -0.09 -0.26 0.97 0.45 0.00 0.00 0.00 175.76 176.83 1nnd s SER 255 N -4.20 6.35 0.30 0.00 0.15 -0.45 -0.98 113.70 114.86 1nnd s SER 255 Ca 0.47 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.81 1nnd s SER 255 Cb -0.10 -2.45 0.49 0.00 -1.71 0.00 0.00 66.02 62.25 1nnd s SER 255 CO 0.35 -1.26 1.83 0.00 1.20 0.00 0.00 173.24 175.37 1nnd h ALA 256 N 9.34 1.26 -0.83 5.45 0.00 -1.92 -1.17 119.26 131.40 1nnd h ALA 256 Ca -0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1nnd h ALA 256 Cb 1.07 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1nnd h ALA 256 CO 1.10 0.50 0.37 0.87 0.00 0.00 0.00 179.25 182.08 1nnd h LYS 257 N 0.63 1.22 -0.02 0.00 1.57 -2.00 -3.08 116.57 114.87 1nnd h LYS 257 Ca 0.13 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1nnd h LYS 257 Cb 0.36 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1nnd h LYS 257 CO 0.01 0.96 -0.16 1.63 -0.57 0.00 0.00 179.45 181.32 1nnd n LYS 258 N -4.29 1.82 -1.76 3.15 5.02 -1.10 -4.99 118.16 116.01 1nnd n LYS 258 Ca 0.08 -1.44 -0.41 0.00 -2.02 0.00 0.00 58.31 54.52 1nnd n LYS 258 Cb 0.16 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1nnd n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nnd n ALA 259 N 0.67 2.13 -3.98 7.82 0.00 -0.46 -4.93 120.51 121.75 1nnd n ALA 259 Ca 0.13 0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 1nnd n ALA 259 Cb 0.52 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.43 1nnd n ALA 259 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1nnd s GLN 260 N -2.20 1.44 -0.22 0.00 -0.21 -0.98 -5.01 119.66 112.47 1nnd s GLN 260 Ca 0.56 -1.87 -0.14 0.00 0.02 0.00 0.00 55.36 53.93 1nnd s GLN 260 Cb -0.48 -3.08 -0.04 0.00 1.00 0.00 0.00 33.01 30.42 1nnd s GLN 260 CO 0.61 -0.97 0.33 0.42 -2.12 0.00 0.00 175.29 173.57 1nnd s ILE 261 N 0.85 5.24 -1.02 1.08 1.01 -1.26 -0.91 121.20 126.19 1nnd s ILE 261 Ca 0.12 0.54 -0.17 0.00 0.00 0.00 0.00 60.65 61.13 1nnd s ILE 261 Cb -0.20 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.63 1nnd s ILE 261 CO -0.09 0.26 0.66 0.00 0.00 0.00 0.00 174.94 175.78 1nnd s GLN 263 N -6.02 1.86 0.03 0.00 -1.52 0.17 -4.85 119.66 109.33 1nnd s GLN 263 Ca 0.26 -1.31 0.25 0.00 -1.95 0.00 0.00 55.36 52.60 1nnd s GLN 263 Cb -0.13 -2.07 0.46 0.00 -0.22 0.00 0.00 33.01 31.04 1nnd s GLN 263 CO 0.92 0.44 1.38 1.63 -0.25 0.00 0.00 175.29 179.41 1nnd n LYS 264 N 0.27 0.08 -3.76 2.91 5.02 -1.26 0.07 118.16 121.48 1nnd n LYS 264 Ca -0.12 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 55.95 1nnd n LYS 264 Cb 0.55 -1.55 -0.17 0.00 -0.02 0.00 0.00 35.03 33.84 1nnd n LYS 264 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1nnd s GLN 265 N -3.05 0.59 0.06 1.97 0.74 -1.26 -4.38 119.66 114.33 1nnd s GLN 265 Ca 0.10 0.07 -0.08 0.00 0.05 0.00 0.00 55.36 55.50 1nnd s GLN 265 Cb 0.16 -1.07 -0.01 0.00 1.10 0.00 0.00 33.01 33.20 1nnd s GLN 265 CO 0.71 -0.34 0.16 0.14 -0.55 0.00 0.00 175.29 175.41 1nnd s VAL 266 N 1.97 0.14 -0.20 1.34 -7.23 -1.06 -4.99 120.40 110.37 1nnd s VAL 266 Ca 0.04 -1.14 -0.08 0.00 -1.81 0.00 0.00 61.98 58.99 1nnd s VAL 266 Cb -0.13 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1nnd s VAL 266 CO -0.05 -0.63 0.08 -0.75 -0.31 0.00 0.00 175.10 173.43 1nnd s LYS 267 N -3.29 3.92 -0.07 4.82 2.20 -1.26 -0.46 119.74 125.61 1nnd s LYS 267 Ca 0.01 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.24 1nnd s LYS 267 Cb 0.02 -3.28 0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1nnd s LYS 267 CO -0.08 0.15 0.01 -0.47 -0.36 0.00 0.00 175.35 174.60 1nnd s TYR 268 N 0.71 0.60 -1.64 4.03 5.04 0.08 -4.82 117.35 121.36 1nnd s TYR 268 Ca 0.04 -0.12 -0.03 0.00 -2.44 0.00 0.00 57.07 54.52 1nnd s TYR 268 Cb -0.13 -0.77 0.00 0.00 0.35 0.00 0.00 41.96 41.42 1nnd s TYR 268 CO 0.02 -0.31 0.35 1.28 -1.34 0.00 0.00 175.55 175.54 1nnd n LEU 269 N 5.17 -2.37 0.00 6.97 4.77 -1.26 -1.85 117.00 128.43 1nnd n LEU 269 Ca -0.07 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1nnd n LEU 269 Cb 0.50 -2.94 0.00 0.00 -2.33 0.00 0.00 43.42 38.65 1nnd n LEU 269 CO 0.10 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1nnd n GLY 270 N -1.31 2.94 3.81 -0.72 0.00 -1.26 -5.03 105.19 103.62 1nnd n GLY 270 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1nnd n GLY 270 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nnd s TYR 271 N -1.96 3.18 -0.22 1.61 2.02 -0.77 -5.05 117.35 116.16 1nnd s TYR 271 Ca 0.00 1.60 -0.05 0.00 -0.37 0.00 0.00 57.07 58.25 1nnd s TYR 271 Cb 0.00 -2.94 -0.02 0.00 -0.40 0.00 0.00 41.96 38.60 1nnd s TYR 271 CO 0.00 -0.41 -0.00 -1.17 -1.57 0.00 0.00 175.55 172.40 1nnd s LEU 272 N -3.30 3.15 -0.05 -1.29 2.96 -1.26 -0.74 118.68 118.16 1nnd s LEU 272 Ca 0.64 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 54.25 1nnd s LEU 272 Cb -0.12 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1nnd s LEU 272 CO 0.16 0.01 0.07 -0.76 -1.32 0.00 0.00 176.35 174.51 1nnd s LEU 273 N 1.33 3.89 0.00 -0.68 1.43 0.40 -5.00 118.68 120.04 1nnd s LEU 273 Ca 0.04 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1nnd s LEU 273 Cb -0.15 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1nnd s LEU 273 CO 0.00 0.33 0.00 0.29 0.23 0.00 0.00 176.35 177.20