#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f71 s SER 3 N 0.00 6.52 0.65 0.00 0.01 -1.26 -5.08 113.70 114.54 3f71 s SER 3 Ca 0.00 0.67 -0.13 0.00 1.31 0.00 0.00 55.95 57.80 3f71 s SER 3 Cb 0.00 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 3f71 s SER 3 CO 0.00 0.01 1.06 -0.54 0.41 0.00 0.00 173.24 174.18 3f71 s LYS 4 N -2.77 3.05 -0.02 12.44 -0.14 -1.26 -4.88 119.74 126.17 3f71 s LYS 4 Ca 0.43 1.10 0.03 0.00 -1.36 0.00 0.00 55.97 56.17 3f71 s LYS 4 Cb -0.12 -2.00 -0.00 0.00 -1.68 0.00 0.00 37.83 34.03 3f71 s LYS 4 CO 0.24 -1.01 -0.12 1.03 -0.76 0.00 0.00 175.35 174.73 3f71 s ARG 5 N -4.55 1.14 -0.02 1.68 0.52 -1.26 -0.92 118.95 115.53 3f71 s ARG 5 Ca 0.61 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 55.46 3f71 s ARG 5 Cb -0.15 -1.06 -0.02 0.00 0.52 0.00 0.00 34.95 34.24 3f71 s ARG 5 CO 0.46 0.21 -0.22 0.00 0.02 0.00 0.00 175.30 175.77 3f71 s ALA 6 N -0.05 1.81 -0.23 2.13 0.00 -0.09 -0.32 121.76 125.00 3f71 s ALA 6 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 3f71 s ALA 6 Cb -0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 3f71 s ALA 6 CO 0.00 0.43 0.01 -1.17 0.00 0.00 0.00 175.76 175.03 3f71 s LEU 7 N -0.44 3.15 -0.25 0.00 2.96 -0.38 -0.63 118.68 123.10 3f71 s LEU 7 Ca 0.06 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 3f71 s LEU 7 Cb -0.09 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.78 3f71 s LEU 7 CO -0.00 -0.01 0.02 -0.69 -1.32 0.00 0.00 176.35 174.34 3f71 s VAL 8 N 1.46 3.68 -0.33 1.68 1.01 -0.34 -0.08 120.40 127.48 3f71 s VAL 8 Ca 0.05 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 3f71 s VAL 8 Cb -0.15 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3f71 s VAL 8 CO 0.00 0.27 0.43 -0.63 0.00 0.00 0.00 175.10 175.17 3f71 s ILE 9 N 1.49 5.11 -0.29 2.22 1.01 -0.92 -0.89 121.20 128.93 3f71 s ILE 9 Ca 0.04 0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.93 3f71 s ILE 9 Cb -0.16 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.48 3f71 s ILE 9 CO -0.00 -0.09 0.03 -0.22 0.00 0.00 0.00 174.94 174.66 3f71 s LEU 10 N 2.18 3.70 0.21 2.97 2.96 0.11 -4.43 118.68 126.38 3f71 s LEU 10 Ca 0.15 -0.87 0.10 0.00 -0.22 0.00 0.00 54.13 53.29 3f71 s LEU 10 Cb -0.16 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3f71 s LEU 10 CO 0.12 -0.19 -0.11 0.00 -1.32 0.00 0.00 176.35 174.84 3f71 s ALA 11 N 1.41 2.90 0.22 5.97 0.00 -1.26 -0.97 121.76 130.02 3f71 s ALA 11 Ca 0.01 -1.57 -0.31 0.00 0.00 0.00 0.00 51.96 50.09 3f71 s ALA 11 Cb -0.18 -0.63 -0.15 0.00 0.00 0.00 0.00 23.12 22.16 3f71 s ALA 11 CO -0.00 0.41 1.19 1.17 0.00 0.00 0.00 175.76 178.53 3f71 n LYS 12 N -0.13 1.44 -0.80 0.00 4.81 -1.26 -1.41 118.16 120.80 3f71 n LYS 12 Ca -0.10 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 3f71 n LYS 12 Cb 0.56 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.60 3f71 n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f71 n GLY 13 N 1.82 0.84 3.74 3.14 0.00 -0.69 -2.94 105.19 111.10 3f71 n GLY 13 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3f71 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f71 s ALA 14 N -3.26 2.49 -0.25 4.61 0.00 -0.50 -2.42 121.76 122.44 3f71 s ALA 14 Ca 0.00 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 3f71 s ALA 14 Cb 0.00 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 3f71 s ALA 14 CO 0.00 -1.45 1.28 -2.00 0.00 0.00 0.00 175.76 173.59 3f71 s GLU 15 N -3.29 4.05 0.36 0.00 -6.30 -0.13 -0.27 118.70 113.11 3f71 s GLU 15 Ca 0.80 1.41 0.07 0.00 -2.50 0.00 0.00 54.97 54.75 3f71 s GLU 15 Cb -0.36 -3.83 0.68 0.00 0.00 0.00 0.00 34.13 30.62 3f71 s GLU 15 CO 0.39 -0.95 1.88 1.05 0.02 0.00 0.00 175.26 177.66 3f71 h GLU 16 N 8.83 0.37 -0.36 4.30 9.09 -1.91 -1.82 114.58 133.08 3f71 h GLU 16 Ca -0.26 -0.09 -0.08 0.00 0.05 0.00 0.00 59.36 58.98 3f71 h GLU 16 Cb 1.10 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 28.14 3f71 h GLU 16 CO 1.01 0.47 -0.09 0.52 0.05 0.00 0.00 179.01 180.97 3f71 h MET 17 N 0.35 0.69 0.00 1.06 2.86 -1.99 -0.13 114.93 117.77 3f71 h MET 17 Ca 0.07 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 3f71 h MET 17 Cb 0.38 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 3f71 h MET 17 CO 0.02 0.85 -0.04 -0.44 1.06 0.00 0.00 176.91 178.35 3f71 h ASP 18 N 0.48 0.00 0.00 1.22 3.32 -1.83 -2.15 116.42 117.46 3f71 h ASP 18 Ca 0.09 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3f71 h ASP 18 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3f71 h ASP 18 CO 0.04 0.04 -0.45 0.74 -1.72 0.00 0.00 179.24 177.89 3f71 h THR 19 N 0.00 0.68 -0.13 0.35 2.02 -1.14 -3.39 112.91 111.29 3f71 h THR 19 Ca -0.00 -1.64 -0.15 0.00 0.77 0.00 0.00 66.41 65.39 3f71 h THR 19 Cb 0.12 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3f71 h THR 19 CO 0.01 0.23 -0.56 0.58 0.37 0.00 0.00 175.52 176.14 3f71 h VAL 20 N -1.00 1.34 -0.00 3.16 2.07 -0.94 -2.65 116.25 118.24 3f71 h VAL 20 Ca -0.09 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.58 3f71 h VAL 20 Cb 0.71 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3f71 h VAL 20 CO -0.06 0.56 -0.00 0.40 0.02 0.00 0.00 177.57 178.50 3f71 h ILE 21 N 0.31 1.34 -0.84 4.57 5.03 -1.62 -0.99 117.51 125.31 3f71 h ILE 21 Ca 0.00 -0.99 -0.02 0.00 -0.12 0.00 0.00 64.86 63.74 3f71 h ILE 21 Cb 1.08 2.00 -0.04 0.00 -3.03 0.00 0.00 36.82 36.84 3f71 h ILE 21 CO 0.10 0.26 0.45 -0.65 -0.68 0.00 0.00 178.15 177.63 3f71 h PRO 22 N -0.42 1.17 -0.24 2.37 0.11 -1.75 -0.71 132.00 132.53 3f71 h PRO 22 Ca 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3f71 h PRO 22 Cb 0.42 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3f71 h PRO 22 CO 0.00 0.86 0.16 0.28 -0.21 0.00 0.00 178.00 179.08 3f71 h VAL 23 N 1.17 1.07 0.10 3.15 2.07 -1.22 -0.52 116.25 122.07 3f71 h VAL 23 Ca 0.30 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 3f71 h VAL 23 Cb 0.03 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3f71 h VAL 23 CO -0.05 0.07 -0.05 -0.78 0.02 0.00 0.00 177.57 176.79 3f71 h ASP 24 N 0.32 -0.11 -0.83 0.57 1.82 -1.01 -1.57 116.42 115.61 3f71 h ASP 24 Ca 0.09 -0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.46 3f71 h ASP 24 Cb -0.02 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 39.98 3f71 h ASP 24 CO -0.02 0.19 0.42 0.58 -1.61 0.00 0.00 179.24 178.80 3f71 h VAL 25 N -0.41 1.25 -0.82 2.25 2.07 -1.11 -0.05 116.25 119.43 3f71 h VAL 25 Ca -0.01 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3f71 h VAL 25 Cb 0.35 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3f71 h VAL 25 CO 0.02 0.30 0.38 0.24 0.02 0.00 0.00 177.57 178.53 3f71 h MET 26 N 1.18 1.19 -0.45 1.57 2.86 -1.03 -2.19 114.93 118.05 3f71 h MET 26 Ca 0.29 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3f71 h MET 26 Cb 0.10 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3f71 h MET 26 CO -0.04 0.93 -0.02 0.00 1.06 0.00 0.00 176.91 178.84 3f71 h ARG 27 N 1.17 0.75 -0.12 1.72 3.08 -0.64 -1.66 114.38 118.69 3f71 h ARG 27 Ca 0.28 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3f71 h ARG 27 Cb 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3f71 h ARG 27 CO -0.03 0.78 0.08 0.00 -1.07 0.00 0.00 179.97 179.72 3f71 h ARG 28 N 0.70 0.14 -0.01 0.04 3.08 -0.63 -1.16 114.38 116.55 3f71 h ARG 28 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3f71 h ARG 28 Cb 0.46 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3f71 h ARG 28 CO 0.02 0.09 0.00 0.00 -1.07 0.00 0.00 179.97 179.01 3f71 n ALA 29 N -2.52 2.65 -1.01 0.04 0.00 -0.71 -4.90 120.51 114.05 3f71 n ALA 29 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.23 3f71 n ALA 29 Cb 0.09 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.14 3f71 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f71 n GLY 30 N 0.94 0.46 3.76 0.00 0.00 -0.44 -5.03 105.19 104.88 3f71 n GLY 30 Ca 0.20 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3f71 n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f71 s ILE 31 N -2.00 4.03 -0.50 -0.61 1.01 -0.72 -4.63 121.20 117.80 3f71 s ILE 31 Ca 0.00 1.92 -0.24 0.00 0.00 0.00 0.00 60.65 62.32 3f71 s ILE 31 Cb 0.00 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.34 3f71 s ILE 31 CO 0.00 0.36 0.90 -0.54 0.00 0.00 0.00 174.94 175.66 3f71 s LYS 32 N -1.52 3.42 -0.18 2.79 1.02 -0.10 -4.25 119.74 120.92 3f71 s LYS 32 Ca 0.45 -0.08 -0.07 0.00 0.02 0.00 0.00 55.97 56.29 3f71 s LYS 32 Cb -0.24 -3.98 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 3f71 s LYS 32 CO 0.30 -1.31 0.05 0.08 -0.92 0.00 0.00 175.35 173.55 3f71 s VAL 33 N 3.73 4.68 -0.26 3.17 1.01 -1.26 -0.91 120.40 130.56 3f71 s VAL 33 Ca 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3f71 s VAL 33 Cb -0.12 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3f71 s VAL 33 CO 0.23 0.47 0.02 -0.89 0.00 0.00 0.00 175.10 174.92 3f71 s THR 34 N 0.33 3.65 -0.47 3.92 2.01 0.20 -4.97 115.64 120.31 3f71 s THR 34 Ca 0.02 -0.61 -0.22 0.00 0.31 0.00 0.00 61.69 61.18 3f71 s THR 34 Cb -0.13 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.63 3f71 s THR 34 CO 0.00 0.24 0.78 -0.69 -0.69 0.00 0.00 174.62 174.26 3f71 s VAL 35 N 1.48 4.65 -0.20 3.82 1.01 -1.26 -1.20 120.40 128.70 3f71 s VAL 35 Ca 0.04 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 3f71 s VAL 35 Cb -0.16 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 3f71 s VAL 35 CO -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 175.10 174.31 3f71 s ALA 36 N 3.27 3.02 -0.20 5.51 0.00 -0.07 -0.30 121.76 133.00 3f71 s ALA 36 Ca 0.27 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 3f71 s ALA 36 Cb -0.13 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3f71 s ALA 36 CO 0.20 -0.17 1.06 0.20 0.00 0.00 0.00 175.76 177.05 3f71 s GLY 37 N 1.04 1.82 0.22 0.00 0.00 0.12 -0.71 107.32 109.80 3f71 s GLY 37 Ca 0.02 0.25 -0.10 0.00 0.00 0.00 0.00 44.72 44.89 3f71 s GLY 37 CO 0.02 2.17 1.67 -2.00 0.00 0.00 0.00 173.10 174.95 3f71 h LEU 38 N 9.19 -0.24 -1.00 0.66 5.85 -1.40 0.56 115.31 128.92 3f71 h LEU 38 Ca -0.22 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3f71 h LEU 38 Cb 1.08 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3f71 h LEU 38 CO 0.95 -0.10 -0.03 0.00 -0.34 0.00 0.00 178.44 178.92 3f71 n ALA 39 N -2.78 2.62 0.00 1.25 0.00 -1.26 -4.59 120.51 115.74 3f71 n ALA 39 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3f71 n ALA 39 Cb 0.37 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3f71 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f71 n GLY 40 N 1.21 0.98 0.03 0.00 0.00 -0.92 -4.90 105.19 101.60 3f71 n GLY 40 Ca 0.18 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.41 3f71 n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f71 n LYS 41 N -0.10 0.19 -1.43 1.61 5.02 -1.26 -3.92 118.16 118.26 3f71 n LYS 41 Ca 0.00 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.91 3f71 n LYS 41 Cb 0.00 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.58 3f71 n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f71 s ASP 42 N -2.85 4.82 0.55 4.39 1.01 -1.26 -4.39 116.67 118.95 3f71 s ASP 42 Ca 0.17 1.81 -0.21 0.00 0.71 0.00 0.00 52.55 55.03 3f71 s ASP 42 Cb 0.19 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.54 3f71 s ASP 42 CO 0.57 -1.82 1.17 -2.65 0.21 0.00 0.00 175.17 172.65 3f71 n PRO 43 N -3.21 1.34 -4.38 8.23 -0.02 -1.26 -4.50 135.00 131.20 3f71 n PRO 43 Ca 0.09 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 3f71 n PRO 43 Cb 0.53 -2.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.51 3f71 n PRO 43 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3f71 s VAL 44 N -1.37 3.19 -0.41 -1.45 1.01 0.33 -4.93 120.40 116.77 3f71 s VAL 44 Ca 0.72 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 3f71 s VAL 44 Cb -0.44 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.58 3f71 s VAL 44 CO 0.49 0.49 0.87 -1.58 0.00 0.00 0.00 175.10 175.36 3f71 s GLN 45 N 0.82 3.64 0.86 2.72 0.74 -1.26 -1.50 119.66 125.68 3f71 s GLN 45 Ca -0.03 0.25 -0.13 0.00 0.05 0.00 0.00 55.36 55.50 3f71 s GLN 45 Cb -0.15 -3.87 0.13 0.00 1.10 0.00 0.00 33.01 30.22 3f71 s GLN 45 CO 0.01 -1.05 1.22 0.00 -0.55 0.00 0.00 175.29 174.91 3f71 h SER 47 N -1.24 0.71 -0.68 0.00 4.64 -0.75 -0.76 113.55 115.47 3f71 h SER 47 Ca -0.45 0.01 -0.36 0.00 -0.47 0.00 0.00 61.79 60.52 3f71 h SER 47 Cb 1.29 -0.14 -0.21 0.00 -0.31 0.00 0.00 62.40 63.02 3f71 h SER 47 CO 0.54 0.45 0.29 0.54 -0.87 0.00 0.00 176.83 177.78 3f71 n ARG 48 N -4.49 2.05 -0.93 4.77 3.00 -1.26 -4.95 116.66 114.84 3f71 n ARG 48 Ca 0.12 -3.11 0.00 0.00 -0.01 0.00 0.00 57.85 54.85 3f71 n ARG 48 Cb 0.25 -2.00 0.00 0.00 0.00 0.00 0.00 32.46 30.71 3f71 n ARG 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3f71 n ASP 49 N -1.14 -2.90 -4.74 0.55 8.00 -0.29 -4.99 116.55 111.04 3f71 n ASP 49 Ca 0.47 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.56 3f71 n ASP 49 Cb 1.36 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 3f71 n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3f71 s VAL 50 N -1.95 2.89 -0.25 2.53 1.01 -1.26 -4.72 120.40 118.65 3f71 s VAL 50 Ca 0.00 0.73 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 3f71 s VAL 50 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3f71 s VAL 50 CO 0.00 0.11 0.03 -0.69 0.00 0.00 0.00 175.10 174.54 3f71 s VAL 51 N 0.18 3.83 -0.12 2.92 1.01 -1.26 -0.86 120.40 126.10 3f71 s VAL 51 Ca 0.59 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3f71 s VAL 51 Cb -0.40 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 3f71 s VAL 51 CO 0.40 0.30 -0.13 -0.63 0.00 0.00 0.00 175.10 175.04 3f71 s ILE 52 N 1.53 3.04 -0.32 2.22 1.01 -0.56 -4.90 121.20 123.23 3f71 s ILE 52 Ca 0.05 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 3f71 s ILE 52 Cb -0.15 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 3f71 s ILE 52 CO 0.01 0.53 0.46 0.00 0.00 0.00 0.00 174.94 175.94 3f71 s PRO 54 N 2.26 1.90 0.30 0.00 0.04 -1.26 -4.94 135.00 133.30 3f71 s PRO 54 Ca 0.17 1.39 0.10 0.00 0.04 0.00 0.00 61.00 62.70 3f71 s PRO 54 Cb -0.16 -1.84 0.48 0.00 0.04 0.00 0.00 34.50 33.02 3f71 s PRO 54 CO 0.12 -1.95 1.69 -0.44 0.04 0.00 0.00 177.00 176.46 3f71 h ASP 55 N -1.15 0.08 -5.01 6.66 3.32 -1.02 -3.47 116.42 115.83 3f71 h ASP 55 Ca -0.44 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.58 3f71 h ASP 55 Cb 1.25 -0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.68 3f71 h ASP 55 CO 0.48 0.57 0.20 0.00 -1.72 0.00 0.00 179.24 178.77 3f71 s ALA 56 N -3.91 -1.44 0.62 3.45 0.00 -1.11 -5.01 121.76 114.37 3f71 s ALA 56 Ca -0.03 0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.98 3f71 s ALA 56 Cb 0.13 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 24.11 3f71 s ALA 56 CO 0.76 -0.85 1.08 -1.54 0.00 0.00 0.00 175.76 175.20 3f71 s SER 57 N -2.81 5.49 0.25 0.00 1.04 -1.26 -0.71 113.70 115.70 3f71 s SER 57 Ca 0.05 1.89 -0.06 0.00 0.48 0.00 0.00 55.95 58.31 3f71 s SER 57 Cb -0.03 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.83 3f71 s SER 57 CO -0.06 -1.37 1.92 0.25 0.98 0.00 0.00 173.24 174.96 3f71 h LEU 58 N 0.23 1.13 -0.66 2.42 5.85 -1.15 -0.39 115.31 122.74 3f71 h LEU 58 Ca -0.47 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.32 3f71 h LEU 58 Cb 1.23 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.89 3f71 h LEU 58 CO 0.56 0.84 0.21 -0.08 -0.34 0.00 0.00 178.44 179.63 3f71 h GLU 59 N 1.32 0.35 -0.05 1.25 4.81 -1.86 0.47 114.58 120.87 3f71 h GLU 59 Ca 0.35 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.45 3f71 h GLU 59 Cb -0.11 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.20 3f71 h GLU 59 CO -0.07 0.23 -0.40 -0.44 -0.73 0.00 0.00 179.01 177.60 3f71 h ASP 60 N 0.36 0.43 -0.19 1.04 3.32 -1.88 -3.32 116.42 116.18 3f71 h ASP 60 Ca 0.35 -0.70 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 3f71 h ASP 60 Cb 0.50 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3f71 h ASP 60 CO -0.38 1.06 0.00 0.00 -1.72 0.00 0.00 179.24 178.20 3f71 h ALA 61 N 0.38 1.45 0.00 3.45 0.00 -0.71 -1.19 119.26 122.63 3f71 h ALA 61 Ca -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3f71 h ALA 61 Cb 1.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3f71 h ALA 61 CO 0.08 0.39 -0.18 1.57 0.00 0.00 0.00 179.25 181.11 3f71 h LYS 62 N 0.44 0.00 0.00 0.00 2.10 -1.01 -1.74 116.57 116.35 3f71 h LYS 62 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3f71 h LYS 62 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 3f71 h LYS 62 CO 0.01 0.18 0.00 1.63 -2.00 0.00 0.00 179.45 179.27 3f71 n LYS 63 N -3.70 0.07 -0.47 0.07 5.02 -0.45 -2.93 118.16 115.77 3f71 n LYS 63 Ca -0.02 0.11 0.10 0.00 -2.02 0.00 0.00 58.31 56.49 3f71 n LYS 63 Cb 0.30 -1.59 0.32 0.00 -0.02 0.00 0.00 35.03 34.03 3f71 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3f71 n GLU 64 N -1.72 3.25 0.00 1.97 -0.58 -0.66 -4.97 120.64 117.93 3f71 n GLU 64 Ca 0.06 -2.72 0.00 0.00 -0.42 0.00 0.00 57.16 54.08 3f71 n GLU 64 Cb 0.33 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 3f71 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f71 n GLY 65 N 1.18 0.55 3.90 0.62 0.00 -1.15 -4.84 105.19 105.46 3f71 n GLY 65 Ca 0.24 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 3f71 n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3f71 s PRO 66 N 1.27 2.47 0.09 1.61 0.04 -1.26 -5.14 135.00 134.08 3f71 s PRO 66 Ca 0.00 0.17 0.06 0.00 0.04 0.00 0.00 61.00 61.28 3f71 s PRO 66 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3f71 s PRO 66 CO 0.00 -1.21 -0.09 0.71 0.04 0.00 0.00 177.00 176.45 3f71 s TYR 67 N -3.36 2.77 -0.12 0.56 1.51 -1.26 -5.00 117.35 112.45 3f71 s TYR 67 Ca 0.59 -0.14 0.27 0.00 -1.01 0.00 0.00 57.07 56.78 3f71 s TYR 67 Cb -0.11 -1.47 0.80 0.00 -0.11 0.00 0.00 41.96 41.07 3f71 s TYR 67 CO 0.49 0.41 1.77 -0.44 -1.11 0.00 0.00 175.55 176.67 3f71 h ASP 68 N 3.78 0.00 -4.26 2.29 3.32 -1.05 -3.44 116.42 117.06 3f71 h ASP 68 Ca -0.49 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.41 3f71 h ASP 68 Cb 1.17 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.48 3f71 h ASP 68 CO 0.53 0.08 -0.42 0.54 -1.72 0.00 0.00 179.24 178.25 3f71 s VAL 69 N -3.43 0.03 -0.19 -1.35 0.11 -1.04 -3.22 120.40 111.32 3f71 s VAL 69 Ca 0.03 -0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 58.82 3f71 s VAL 69 Cb 0.08 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 3f71 s VAL 69 CO 0.62 -0.12 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.53 3f71 s VAL 70 N -0.44 3.57 -0.14 2.04 1.01 -0.92 -1.25 120.40 124.29 3f71 s VAL 70 Ca -0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3f71 s VAL 70 Cb -0.04 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3f71 s VAL 70 CO 0.01 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 174.76 3f71 s VAL 71 N 0.92 3.11 -0.35 2.92 1.01 0.88 -0.94 120.40 127.94 3f71 s VAL 71 Ca -0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 3f71 s VAL 71 Cb -0.15 -2.31 0.08 0.00 0.00 0.00 0.00 36.38 34.00 3f71 s VAL 71 CO 0.01 0.52 0.11 -0.76 0.00 0.00 0.00 175.10 174.97 3f71 s LEU 72 N 0.41 4.58 1.10 3.92 1.43 0.08 -2.17 118.68 128.03 3f71 s LEU 72 Ca -0.10 -1.61 -0.13 0.00 -1.03 0.00 0.00 54.13 51.27 3f71 s LEU 72 Cb -0.16 -1.78 0.25 0.00 0.03 0.00 0.00 46.19 44.52 3f71 s LEU 72 CO 0.05 -0.40 1.06 -2.84 0.23 0.00 0.00 176.35 174.45 3f71 s PRO 73 N 1.22 -0.38 0.00 1.29 0.02 -1.26 -2.00 135.00 133.89 3f71 s PRO 73 Ca 0.02 0.69 0.00 0.00 0.02 0.00 0.00 61.00 61.73 3f71 s PRO 73 Cb -0.21 -1.63 0.00 0.00 0.02 0.00 0.00 34.50 32.68 3f71 s PRO 73 CO -0.02 -3.32 0.00 0.41 -0.33 0.00 0.00 177.00 173.74 3f71 n GLY 74 N -0.02 1.76 0.28 0.52 0.00 -1.03 -3.85 105.19 102.85 3f71 n GLY 74 Ca 0.04 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3f71 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f71 n GLY 75 N 5.00 -1.54 0.23 -0.02 0.00 -1.26 -0.96 105.19 106.64 3f71 n GLY 75 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 45.04 3f71 n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f71 h ASN 76 N 0.00 0.36 0.26 1.61 2.35 -1.95 0.95 115.58 119.16 3f71 h ASN 76 Ca 0.00 0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.60 3f71 h ASN 76 Cb 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3f71 h ASN 76 CO 0.00 0.23 -0.80 -0.07 -1.65 0.00 0.00 177.43 175.14 3f71 h LEU 77 N 0.51 0.53 -0.25 1.61 4.07 -1.88 -1.42 115.31 118.48 3f71 h LEU 77 Ca 0.28 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 3f71 h LEU 77 Cb 0.25 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3f71 h LEU 77 CO -0.22 1.13 0.12 1.23 -1.08 0.00 0.00 178.44 179.61 3f71 h GLY 78 N 1.23 0.38 1.43 0.83 0.00 -1.08 -1.57 103.07 104.29 3f71 h GLY 78 Ca -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3f71 h GLY 78 CO 0.14 0.18 0.25 0.00 0.00 0.00 0.00 176.54 177.11 3f71 h ALA 79 N 0.97 1.44 -0.48 3.60 0.00 -0.73 -0.06 119.26 124.00 3f71 h ALA 79 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3f71 h ALA 79 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3f71 h ALA 79 CO -0.01 0.44 0.18 0.37 0.00 0.00 0.00 179.25 180.23 3f71 h GLN 80 N 0.74 0.73 -0.64 0.00 5.75 -1.07 0.18 115.11 120.80 3f71 h GLN 80 Ca 0.18 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3f71 h GLN 80 Cb 0.09 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3f71 h GLN 80 CO -0.02 0.66 0.37 -0.91 -2.65 0.00 0.00 178.83 176.28 3f71 h ASN 81 N 0.64 0.78 -0.97 -0.69 2.35 -0.63 -1.77 115.58 115.29 3f71 h ASN 81 Ca 0.16 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3f71 h ASN 81 Cb 0.21 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 3f71 h ASN 81 CO -0.01 0.63 0.64 -0.07 -1.65 0.00 0.00 177.43 176.97 3f71 h LEU 82 N 0.87 1.12 -1.54 1.61 3.38 -0.61 -2.71 115.31 117.44 3f71 h LEU 82 Ca 0.23 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3f71 h LEU 82 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3f71 h LEU 82 CO -0.04 0.82 -0.24 0.28 0.09 0.00 0.00 178.44 179.35 3f71 h SER 83 N 1.32 0.00 0.31 -0.43 0.02 -0.40 -2.88 113.55 111.50 3f71 h SER 83 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3f71 h SER 83 Cb -0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3f71 h SER 83 CO -0.08 0.24 -0.33 -0.62 -1.14 0.00 0.00 176.83 174.90 3f71 n GLU 84 N -3.89 0.59 -3.30 3.45 1.02 -0.72 -4.79 120.64 113.01 3f71 n GLU 84 Ca -0.02 -0.34 -0.39 0.00 -0.02 0.00 0.00 57.16 56.39 3f71 n GLU 84 Cb 0.32 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 3f71 n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3f71 s SER 85 N -2.65 6.54 0.34 1.62 0.15 -1.09 -4.95 113.70 113.66 3f71 s SER 85 Ca 0.20 0.64 0.08 0.00 0.70 0.00 0.00 55.95 57.57 3f71 s SER 85 Cb 0.19 -2.27 0.62 0.00 -1.71 0.00 0.00 66.02 62.84 3f71 s SER 85 CO 0.57 -0.13 1.82 0.00 1.20 0.00 0.00 173.24 176.70 3f71 h ALA 86 N 7.35 1.32 -0.38 5.45 0.00 -1.91 -2.02 119.26 129.07 3f71 h ALA 86 Ca -0.35 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 3f71 h ALA 86 Cb 1.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3f71 h ALA 86 CO 0.73 0.46 0.04 0.00 0.00 0.00 0.00 179.25 180.49 3f71 h ALA 87 N 1.51 0.50 -0.62 0.00 0.00 -1.96 -1.57 119.26 117.13 3f71 h ALA 87 Ca 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3f71 h ALA 87 Cb 0.56 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3f71 h ALA 87 CO 0.04 0.23 0.27 0.28 0.00 0.00 0.00 179.25 180.08 3f71 h VAL 88 N 0.48 1.23 -0.38 0.00 2.07 -1.82 -0.97 116.25 116.86 3f71 h VAL 88 Ca 0.11 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 67.02 3f71 h VAL 88 Cb 0.40 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 3f71 h VAL 88 CO 0.01 0.27 0.01 0.50 0.02 0.00 0.00 177.57 178.38 3f71 h LYS 89 N 0.87 0.11 -0.53 1.57 3.64 -1.10 -0.92 116.57 120.21 3f71 h LYS 89 Ca 0.21 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 3f71 h LYS 89 Cb 0.17 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3f71 h LYS 89 CO -0.02 0.07 -0.12 1.49 -2.27 0.00 0.00 179.45 178.60 3f71 h GLU 90 N 0.11 1.02 -0.32 1.90 4.81 -0.96 -0.98 114.58 120.16 3f71 h GLU 90 Ca 0.18 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 3f71 h GLU 90 Cb 0.25 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3f71 h GLU 90 CO -0.30 1.07 0.18 0.82 -0.73 0.00 0.00 179.01 180.05 3f71 h ILE 91 N 0.90 1.13 -0.37 2.32 2.04 -0.80 -0.98 117.51 121.74 3f71 h ILE 91 Ca 0.14 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 3f71 h ILE 91 Cb 0.69 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3f71 h ILE 91 CO 0.05 0.13 -0.38 -0.07 0.00 0.00 0.00 178.15 177.89 3f71 h LEU 92 N 0.41 0.95 -0.59 1.44 3.38 -1.02 -0.40 115.31 119.48 3f71 h LEU 92 Ca 0.11 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3f71 h LEU 92 Cb 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3f71 h LEU 92 CO -0.02 1.21 0.25 0.11 0.09 0.00 0.00 178.44 180.09 3f71 h LYS 93 N 0.73 0.87 -0.58 1.13 1.79 -1.09 0.22 116.57 119.64 3f71 h LYS 93 Ca 0.06 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 3f71 h LYS 93 Cb 0.96 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 3f71 h LYS 93 CO 0.09 0.73 0.15 0.93 -1.08 0.00 0.00 179.45 180.27 3f71 h GLU 94 N 0.81 0.93 -0.57 3.15 5.08 -1.04 0.39 114.58 123.33 3f71 h GLU 94 Ca 0.20 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3f71 h GLU 94 Cb 0.17 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3f71 h GLU 94 CO -0.02 0.86 0.28 0.37 -1.00 0.00 0.00 179.01 179.50 3f71 h GLN 95 N 0.84 0.83 -0.31 2.33 5.75 -0.70 -1.92 115.11 121.93 3f71 h GLN 95 Ca 0.18 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3f71 h GLN 95 Cb 0.34 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 3f71 h GLN 95 CO 0.00 0.67 0.18 1.49 -2.65 0.00 0.00 178.83 178.52 3f71 h GLU 96 N 0.78 0.42 -0.25 1.69 4.81 -0.71 -0.19 114.58 121.14 3f71 h GLU 96 Ca 0.20 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3f71 h GLU 96 Cb 0.11 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3f71 h GLU 96 CO -0.03 0.33 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.67 3f71 h ASN 97 N 0.39 0.34 -0.33 1.04 2.35 -0.63 -1.43 115.58 117.31 3f71 h ASN 97 Ca 0.11 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3f71 h ASN 97 Cb 0.03 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3f71 h ASN 97 CO -0.02 0.41 0.00 -2.11 -1.65 0.00 0.00 177.43 174.06 3f71 n ARG 98 N -4.33 1.94 -3.31 0.81 1.85 -0.75 -4.92 116.66 107.95 3f71 n ARG 98 Ca 0.01 -1.44 -0.19 0.00 -1.00 0.00 0.00 57.85 55.22 3f71 n ARG 98 Cb 0.21 -1.37 0.06 0.00 -1.05 0.00 0.00 32.46 30.31 3f71 n ARG 98 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3f71 n LYS 99 N 0.66 -6.05 -3.70 2.89 5.02 -0.54 -5.01 118.16 111.44 3f71 n LYS 99 Ca 0.15 0.67 -0.29 0.00 -2.02 0.00 0.00 58.31 56.83 3f71 n LYS 99 Cb 0.37 -5.21 -0.04 0.00 -0.02 0.00 0.00 35.03 30.14 3f71 n LYS 99 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3f71 s GLY 100 N -3.19 1.96 0.31 0.72 0.00 -0.13 -5.02 107.32 101.97 3f71 s GLY 100 Ca 0.44 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 3f71 s GLY 100 CO 0.54 -0.69 1.31 -2.27 0.00 0.00 0.00 173.10 172.00 3f71 s LEU 101 N -3.07 4.43 -0.10 0.66 2.96 -1.20 -4.54 118.68 117.82 3f71 s LEU 101 Ca 0.39 2.66 0.02 0.00 -0.22 0.00 0.00 54.13 56.98 3f71 s LEU 101 Cb -0.11 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.94 3f71 s LEU 101 CO 0.28 -0.54 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.98 3f71 s ILE 102 N -0.94 1.47 -0.07 6.68 1.01 -0.12 -2.16 121.20 127.07 3f71 s ILE 102 Ca 0.50 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3f71 s ILE 102 Cb -0.40 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 40.75 3f71 s ILE 102 CO 0.51 0.43 -0.16 0.00 0.00 0.00 0.00 174.94 175.72 3f71 s ALA 103 N 0.85 1.51 -0.06 9.38 0.00 -0.12 -1.07 121.76 132.25 3f71 s ALA 103 Ca -0.10 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 3f71 s ALA 103 Cb -0.15 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3f71 s ALA 103 CO 0.01 0.18 0.16 0.00 0.00 0.00 0.00 175.76 176.10 3f71 s ALA 104 N 0.51 -0.39 -0.36 0.00 0.00 -0.12 -0.74 121.76 120.66 3f71 s ALA 104 Ca -0.14 0.47 0.10 0.00 0.00 0.00 0.00 51.96 52.39 3f71 s ALA 104 Cb -0.16 -0.28 0.45 0.00 0.00 0.00 0.00 23.12 23.13 3f71 s ALA 104 CO 0.05 -0.08 1.09 1.51 0.00 0.00 0.00 175.76 178.33 3f71 n ILE 105 N 3.07 1.99 0.00 0.00 3.06 -0.85 -2.19 119.36 124.45 3f71 n ILE 105 Ca -0.13 -4.17 0.00 0.00 -2.50 0.00 0.00 62.75 55.94 3f71 n ILE 105 Cb 0.58 -0.56 0.00 0.00 0.54 0.00 0.00 39.64 40.20 3f71 n ILE 105 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3f71 n ALA 107 N -0.45 0.00 -0.31 1.51 0.00 -1.26 -2.45 120.51 117.55 3f71 n ALA 107 Ca 0.30 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.88 3f71 n ALA 107 Cb 0.77 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.54 3f71 n ALA 107 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3f71 h GLY 108 N 0.00 1.61 2.00 0.00 0.00 -1.81 -0.98 103.07 103.89 3f71 h GLY 108 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3f71 h GLY 108 CO 0.00 -0.25 -0.01 -2.55 0.00 0.00 0.00 176.54 173.73 3f71 h PRO 109 N 0.45 0.00 0.00 4.80 0.11 -1.81 -1.50 132.00 134.05 3f71 h PRO 109 Ca 0.57 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.68 3f71 h PRO 109 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3f71 h PRO 109 CO -0.51 0.01 -0.03 1.79 -0.21 0.00 0.00 178.00 179.06 3f71 h THR 110 N 0.00 0.24 0.00 -1.15 1.35 -1.55 -0.21 112.91 111.59 3f71 h THR 110 Ca -0.00 -0.19 -0.08 0.00 -0.55 0.00 0.00 66.41 65.59 3f71 h THR 110 Cb 0.07 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 3f71 h THR 110 CO 0.00 0.03 -0.39 0.00 -0.25 0.00 0.00 175.52 174.91 3f71 h ALA 111 N 1.97 1.27 -0.51 6.62 0.00 -1.44 -2.22 119.26 124.95 3f71 h ALA 111 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3f71 h ALA 111 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3f71 h ALA 111 CO 0.00 0.48 0.28 -0.07 0.00 0.00 0.00 179.25 179.94 3f71 h LEU 112 N 0.00 0.64 -0.29 0.00 3.38 -1.17 -2.05 115.31 115.81 3f71 h LEU 112 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3f71 h LEU 112 Cb 0.72 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3f71 h LEU 112 CO 0.05 0.55 0.19 0.25 0.09 0.00 0.00 178.44 179.57 3f71 h LEU 113 N 0.68 0.33 -1.17 1.67 5.85 -1.38 0.25 115.31 121.55 3f71 h LEU 113 Ca 0.18 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.98 3f71 h LEU 113 Cb 0.06 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 3f71 h LEU 113 CO -0.03 0.24 0.59 0.00 -0.34 0.00 0.00 178.44 178.90 3f71 h ALA 114 N 1.11 1.60 -0.55 1.25 0.00 -1.21 -2.01 119.26 119.46 3f71 h ALA 114 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3f71 h ALA 114 Cb -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3f71 h ALA 114 CO -0.03 0.22 0.00 0.72 0.00 0.00 0.00 179.25 180.16 3f71 n HIS 115 N -4.53 0.72 -3.61 0.00 8.25 -0.79 -4.96 115.22 110.30 3f71 n HIS 115 Ca 0.15 -0.36 -0.23 0.00 -0.26 0.00 0.00 57.72 57.03 3f71 n HIS 115 Cb 0.29 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.47 3f71 n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3f71 n GLU 116 N 1.40 -7.03 -3.82 -0.41 1.02 -0.43 -4.94 120.64 106.44 3f71 n GLU 116 Ca 0.21 0.79 -0.35 0.00 -0.02 0.00 0.00 57.16 57.79 3f71 n GLU 116 Cb 0.56 -5.77 -0.08 0.00 -0.02 0.00 0.00 31.44 26.13 3f71 n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3f71 s ILE 117 N -3.36 5.25 -0.87 -3.67 -1.09 -0.05 -4.56 121.20 112.85 3f71 s ILE 117 Ca 0.39 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.94 3f71 s ILE 117 Cb -0.18 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 3f71 s ILE 117 CO 0.75 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.54 3f71 n GLY 118 N 3.36 0.81 3.70 6.18 0.00 -1.26 -4.61 105.19 113.36 3f71 n GLY 118 Ca -0.17 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3f71 n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3f71 n PHE 119 N -3.04 2.13 -0.36 1.61 0.99 -1.26 -2.04 117.46 115.49 3f71 n PHE 119 Ca -0.09 0.49 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 3f71 n PHE 119 Cb 0.35 -2.37 0.00 0.00 -1.00 0.00 0.00 39.48 36.46 3f71 n PHE 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3f71 n GLY 120 N 0.81 0.69 3.88 1.37 0.00 0.64 -5.02 105.19 107.55 3f71 n GLY 120 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3f71 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3f71 s SER 121 N -2.96 6.57 0.14 1.61 0.01 -0.87 -4.80 113.70 113.40 3f71 s SER 121 Ca 0.00 1.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.96 3f71 s SER 121 Cb 0.00 -2.26 -0.07 0.00 0.21 0.00 0.00 66.02 63.89 3f71 s SER 121 CO 0.00 -0.24 1.24 -0.75 0.41 0.00 0.00 173.24 173.90 3f71 s LYS 122 N -3.39 4.44 0.05 12.44 2.47 -1.26 -1.52 119.74 132.97 3f71 s LYS 122 Ca 0.49 1.90 -0.06 0.00 -1.56 0.00 0.00 55.97 56.73 3f71 s LYS 122 Cb -0.11 -3.26 -0.01 0.00 -1.46 0.00 0.00 37.83 32.99 3f71 s LYS 122 CO 0.26 -0.20 0.12 0.14 0.16 0.00 0.00 175.35 175.83 3f71 s VAL 123 N 0.42 0.14 0.34 4.02 -7.23 -0.32 -4.48 120.40 113.28 3f71 s VAL 123 Ca 0.56 -1.14 0.08 0.00 -1.81 0.00 0.00 61.98 59.67 3f71 s VAL 123 Cb -0.33 -1.03 -0.07 0.00 0.56 0.00 0.00 36.38 35.51 3f71 s VAL 123 CO 0.34 -0.63 -0.06 0.28 -0.31 0.00 0.00 175.10 174.72 3f71 s THR 124 N -2.94 2.00 0.34 5.32 -1.32 -1.26 -0.76 115.64 117.02 3f71 s THR 124 Ca -0.02 -2.14 -0.05 0.00 -1.21 0.00 0.00 61.69 58.27 3f71 s THR 124 Cb 0.01 -2.68 0.01 0.00 -1.51 0.00 0.00 72.50 68.32 3f71 s THR 124 CO -0.06 -0.17 0.51 0.42 -2.21 0.00 0.00 174.62 173.11 3f71 s THR 125 N -2.76 0.00 0.48 5.08 -4.23 -1.26 -4.22 115.64 108.73 3f71 s THR 125 Ca 0.33 -1.51 -0.24 0.00 -1.18 0.00 0.00 61.69 59.09 3f71 s THR 125 Cb 0.05 -2.62 -0.08 0.00 1.34 0.00 0.00 72.50 71.19 3f71 s THR 125 CO 0.16 0.00 1.31 1.57 -0.54 0.00 0.00 174.62 177.12 3f71 n HIS 126 N -0.54 2.23 -0.32 3.99 -0.00 -0.97 -4.50 115.22 115.10 3f71 n HIS 126 Ca -0.00 0.46 0.18 0.00 -0.00 0.00 0.00 57.72 58.36 3f71 n HIS 126 Cb 0.61 -2.38 0.43 0.00 -0.00 0.00 0.00 29.99 28.66 3f71 n HIS 126 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3f71 h PRO 127 N 1.82 0.53 0.00 1.57 0.11 -1.99 -0.56 132.00 133.49 3f71 h PRO 127 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3f71 h PRO 127 Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3f71 h PRO 127 CO 0.59 0.35 0.00 1.28 -0.21 0.00 0.00 178.00 180.01 3f71 n LEU 128 N -4.70 0.50 -0.50 2.35 4.77 -1.26 -2.61 117.00 115.56 3f71 n LEU 128 Ca 0.24 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.93 3f71 n LEU 128 Cb 0.73 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 41.50 3f71 n LEU 128 CO 0.23 -0.33 0.50 0.00 -1.33 0.00 0.00 177.39 176.47 3f71 n ALA 129 N -1.69 3.17 -0.00 -1.18 0.00 -0.23 -4.56 120.51 116.00 3f71 n ALA 129 Ca 0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 3f71 n ALA 129 Cb 0.29 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 3f71 n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3f71 h LYS 130 N 2.46 0.04 -0.78 0.00 3.64 -1.34 -1.57 116.57 119.03 3f71 h LYS 130 Ca 0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3f71 h LYS 130 Cb 0.70 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 3f71 h LYS 130 CO 0.00 0.03 0.40 -0.44 -2.27 0.00 0.00 179.45 177.17 3f71 h ASP 131 N 0.04 0.99 -0.22 4.20 3.32 -1.81 -0.19 116.42 122.76 3f71 h ASP 131 Ca 0.05 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3f71 h ASP 131 Cb 0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3f71 h ASP 131 CO -0.08 0.83 0.11 0.50 -1.72 0.00 0.00 179.24 178.88 3f71 h LYS 132 N 1.08 0.31 -0.50 3.56 3.64 -1.81 -2.58 116.57 120.26 3f71 h LYS 132 Ca 0.27 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3f71 h LYS 132 Cb 0.08 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3f71 h LYS 132 CO -0.04 0.30 0.23 1.98 -2.27 0.00 0.00 179.45 179.66 3f71 h MET 133 N 0.23 0.70 -0.06 1.90 4.05 -0.82 -2.98 114.93 117.95 3f71 h MET 133 Ca 0.08 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3f71 h MET 133 Cb 0.09 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3f71 h MET 133 CO -0.01 0.55 0.00 -1.33 0.23 0.00 0.00 176.91 176.35 3f71 n MET 134 N -4.38 1.70 -1.78 0.39 2.81 -0.12 -4.75 117.12 110.99 3f71 n MET 134 Ca 0.04 -1.03 -0.42 0.00 -1.81 0.00 0.00 57.70 54.48 3f71 n MET 134 Cb 0.13 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.15 3f71 n MET 134 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3f71 s ASN 135 N -1.87 6.19 0.00 7.83 3.84 -1.00 -0.74 114.94 129.19 3f71 s ASN 135 Ca 0.36 2.20 0.00 0.00 0.21 0.00 0.00 52.86 55.64 3f71 s ASN 135 Cb 0.20 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 3f71 s ASN 135 CO 0.31 -1.33 0.00 0.61 -2.79 0.00 0.00 177.10 173.91 3f71 n GLY 136 N 4.85 0.65 2.48 1.21 0.00 -1.26 -4.54 105.19 108.58 3f71 n GLY 136 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3f71 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f71 n GLY 137 N -2.00 -0.05 0.04 -0.02 0.00 0.08 -4.92 105.19 98.32 3f71 n GLY 137 Ca 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.90 3f71 n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3f71 n HIS 138 N -4.01 0.00 -4.30 1.61 8.25 -1.26 -4.84 115.22 110.68 3f71 n HIS 138 Ca -0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 3f71 n HIS 138 Cb 0.58 -0.28 -0.10 0.00 1.12 0.00 0.00 29.99 31.31 3f71 n HIS 138 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3f71 s TYR 139 N -2.88 1.46 -0.16 4.41 1.51 -1.26 -0.26 117.35 120.16 3f71 s TYR 139 Ca 0.15 -0.77 -0.05 0.00 -1.01 0.00 0.00 57.07 55.39 3f71 s TYR 139 Cb 0.18 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 41.23 3f71 s TYR 139 CO 0.62 0.11 0.02 0.99 -1.11 0.00 0.00 175.55 176.18 3f71 s THR 140 N -3.28 4.42 0.24 -0.71 2.01 -0.57 -4.97 115.64 112.78 3f71 s THR 140 Ca 0.22 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 3f71 s THR 140 Cb 0.03 -2.96 -0.08 0.00 0.01 0.00 0.00 72.50 69.50 3f71 s THR 140 CO 0.04 0.49 0.61 -0.47 -0.69 0.00 0.00 174.62 174.61 3f71 s TYR 141 N 0.20 3.47 0.03 4.92 5.04 -1.26 -1.18 117.35 128.57 3f71 s TYR 141 Ca 0.02 1.05 0.04 0.00 -2.44 0.00 0.00 57.07 55.73 3f71 s TYR 141 Cb -0.13 -2.39 -0.02 0.00 0.35 0.00 0.00 41.96 39.78 3f71 s TYR 141 CO 0.01 0.26 -0.11 0.45 -1.34 0.00 0.00 175.55 174.83 3f71 s SER 142 N -2.14 1.25 0.00 4.32 0.15 0.06 -4.85 113.70 112.49 3f71 s SER 142 Ca 0.47 -0.42 0.21 0.00 0.70 0.00 0.00 55.95 56.91 3f71 s SER 142 Cb -0.12 -0.06 0.53 0.00 -1.71 0.00 0.00 66.02 64.66 3f71 s SER 142 CO 0.20 -0.03 1.45 -0.62 1.20 0.00 0.00 173.24 175.44 3f71 n GLU 143 N 1.96 2.65 -1.95 5.44 1.02 -1.26 -4.27 120.64 124.24 3f71 n GLU 143 Ca -0.18 -2.45 -0.37 0.00 -0.02 0.00 0.00 57.16 54.13 3f71 n GLU 143 Cb 0.55 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.50 3f71 n GLU 143 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3f71 s ASN 144 N -1.10 5.40 0.32 1.62 0.01 -1.26 -4.91 114.94 115.01 3f71 s ASN 144 Ca 0.42 2.54 0.03 0.00 -0.71 0.00 0.00 52.86 55.14 3f71 s ASN 144 Cb 0.22 -2.62 0.53 0.00 0.41 0.00 0.00 41.25 39.80 3f71 s ASN 144 CO 0.30 -1.46 1.85 0.03 -1.51 0.00 0.00 177.10 176.30 3f71 h ARG 145 N 1.36 0.61 -4.63 -0.60 3.08 -1.95 -3.41 114.38 108.85 3f71 h ARG 145 Ca -0.50 -0.13 -0.45 0.00 0.07 0.00 0.00 59.98 58.96 3f71 h ARG 145 Cb 1.29 -0.09 -0.31 0.00 0.08 0.00 0.00 29.97 30.94 3f71 h ARG 145 CO 0.57 0.62 -0.80 0.08 -1.07 0.00 0.00 179.97 179.37 3f71 s VAL 146 N -5.00 0.88 -0.05 2.04 1.01 -1.26 -3.11 120.40 114.91 3f71 s VAL 146 Ca -0.08 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3f71 s VAL 146 Cb 0.15 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 3f71 s VAL 146 CO 0.78 0.28 -0.19 -0.70 0.00 0.00 0.00 175.10 175.27 3f71 s GLU 147 N 0.29 1.97 -0.07 2.72 2.56 -0.13 -5.00 118.70 121.04 3f71 s GLU 147 Ca -0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 54.97 54.23 3f71 s GLU 147 Cb -0.10 -1.69 0.03 0.00 2.00 0.00 0.00 34.13 34.36 3f71 s GLU 147 CO 0.01 0.27 -0.01 0.21 -0.56 0.00 0.00 175.26 175.18 3f71 s LYS 148 N 0.01 0.68 -0.33 4.30 2.20 -1.26 -0.43 119.74 124.90 3f71 s LYS 148 Ca -0.04 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 3f71 s LYS 148 Cb -0.12 -0.95 0.10 0.00 -1.51 0.00 0.00 37.83 35.35 3f71 s LYS 148 CO 0.03 -0.25 0.11 0.34 -0.36 0.00 0.00 175.35 175.21 3f71 s ASP 149 N 1.72 4.10 1.41 1.43 2.15 -0.32 -5.01 116.67 122.15 3f71 s ASP 149 Ca 0.01 -1.84 0.00 0.00 0.43 0.00 0.00 52.55 51.15 3f71 s ASP 149 Cb -0.13 -1.00 0.00 0.00 -0.30 0.00 0.00 42.92 41.49 3f71 s ASP 149 CO -0.04 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 3f71 n GLY 150 N 4.60 3.13 0.05 2.66 0.00 -1.26 -2.01 105.19 112.35 3f71 n GLY 150 Ca 0.00 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.43 3f71 n GLY 150 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3f71 n LEU 151 N 0.00 0.37 -4.51 0.99 -0.00 -1.26 -4.73 117.00 107.86 3f71 n LEU 151 Ca 0.00 0.54 -0.39 0.00 -0.00 0.00 0.00 56.01 56.15 3f71 n LEU 151 Cb 0.00 -0.42 -0.11 0.00 -0.00 0.00 0.00 43.42 42.89 3f71 n LEU 151 CO 0.00 -0.09 -0.16 -0.63 -0.00 0.00 0.00 177.39 176.51 3f71 s ILE 152 N -3.05 5.07 -0.18 1.47 -1.09 -0.85 -0.94 121.20 121.62 3f71 s ILE 152 Ca 0.12 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 3f71 s ILE 152 Cb 0.16 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.48 3f71 s ILE 152 CO 0.55 0.05 -0.18 -0.22 -1.23 0.00 0.00 174.94 173.92 3f71 s LEU 153 N 1.69 2.27 0.19 2.97 0.20 -0.23 -1.17 118.68 124.60 3f71 s LEU 153 Ca 0.06 -0.59 0.04 0.00 0.69 0.00 0.00 54.13 54.32 3f71 s LEU 153 Cb -0.17 -1.52 -0.05 0.00 -0.43 0.00 0.00 46.19 44.02 3f71 s LEU 153 CO 0.09 0.01 -0.05 0.42 -0.29 0.00 0.00 176.35 176.53 3f71 s THR 154 N 1.24 1.09 0.29 3.68 -4.23 0.42 -0.94 115.64 117.19 3f71 s THR 154 Ca 0.03 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 3f71 s THR 154 Cb -0.14 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.61 3f71 s THR 154 CO -0.10 -0.52 0.63 -0.55 -0.54 0.00 0.00 174.62 173.54 3f71 s SER 155 N -3.24 -0.09 -0.21 3.99 0.15 -0.93 -0.96 113.70 112.41 3f71 s SER 155 Ca 0.23 -0.85 0.01 0.00 0.70 0.00 0.00 55.95 56.04 3f71 s SER 155 Cb 0.04 0.69 -0.20 0.00 -1.71 0.00 0.00 66.02 64.84 3f71 s SER 155 CO 0.05 -1.32 -0.02 0.54 1.20 0.00 0.00 173.24 173.70 3f71 n ARG 156 N -0.45 0.68 -3.89 5.44 1.74 -1.18 -4.23 116.66 114.77 3f71 n ARG 156 Ca -0.03 0.17 -0.01 0.00 -0.77 0.00 0.00 57.85 57.21 3f71 n ARG 156 Cb 0.60 -1.58 0.02 0.00 -1.02 0.00 0.00 32.46 30.48 3f71 n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f71 n GLY 157 N 2.13 0.48 0.35 -0.13 0.00 -1.26 -2.30 105.19 104.45 3f71 n GLY 157 Ca -0.40 -1.12 0.09 0.00 0.00 0.00 0.00 46.02 44.59 3f71 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3f71 h PRO 158 N 0.00 0.82 0.00 1.61 0.11 -1.98 0.06 132.00 132.62 3f71 h PRO 158 Ca -0.25 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3f71 h PRO 158 Cb 1.18 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3f71 h PRO 158 CO 0.34 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.09 3f71 n GLY 159 N -1.33 -0.95 0.67 -0.55 0.00 -1.26 -1.67 105.19 100.10 3f71 n GLY 159 Ca 0.20 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.21 3f71 n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3f71 n THR 160 N -1.35 0.66 0.18 2.61 -2.24 -0.02 -4.73 114.28 109.39 3f71 n THR 160 Ca 0.07 -0.83 0.04 0.00 -2.27 0.00 0.00 64.05 61.06 3f71 n THR 160 Cb 0.16 0.76 0.35 0.00 -2.10 0.00 0.00 70.33 69.50 3f71 n THR 160 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3f71 h SER 161 N 2.42 0.00 -0.23 3.42 4.64 -1.01 -0.33 113.55 122.46 3f71 h SER 161 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3f71 h SER 161 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3f71 h SER 161 CO 0.00 0.40 -0.63 -0.26 -0.87 0.00 0.00 176.83 175.47 3f71 h PHE 162 N 0.00 1.08 -0.47 4.77 0.04 -1.85 -0.72 116.94 119.79 3f71 h PHE 162 Ca -0.00 -0.42 -0.03 0.00 2.80 0.00 0.00 57.97 60.31 3f71 h PHE 162 Cb 0.83 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 3f71 h PHE 162 CO 0.00 1.26 0.19 0.93 -0.60 0.00 0.00 178.31 180.09 3f71 h GLU 163 N 0.60 0.71 -0.06 1.51 5.08 -1.81 -0.03 114.58 120.59 3f71 h GLU 163 Ca -0.01 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3f71 h GLU 163 Cb 1.25 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 3f71 h GLU 163 CO 0.14 0.64 -0.09 0.35 -1.00 0.00 0.00 179.01 179.05 3f71 h PHE 164 N 0.63 -0.22 -0.61 4.33 3.57 -1.03 -0.46 116.94 123.14 3f71 h PHE 164 Ca 0.16 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3f71 h PHE 164 Cb 0.19 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3f71 h PHE 164 CO 0.00 -0.14 0.33 0.00 -2.23 0.00 0.00 178.31 176.28 3f71 h ALA 165 N 0.92 0.79 0.00 2.41 0.00 -0.97 -1.88 119.26 120.52 3f71 h ALA 165 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3f71 h ALA 165 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3f71 h ALA 165 CO -0.13 0.31 -0.34 -0.07 0.00 0.00 0.00 179.25 179.01 3f71 h LEU 166 N 0.84 0.00 -0.74 0.00 3.38 -0.85 -0.94 115.31 116.98 3f71 h LEU 166 Ca 0.22 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 3f71 h LEU 166 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3f71 h LEU 166 CO -0.03 0.34 -0.26 0.00 0.09 0.00 0.00 178.44 178.58 3f71 h ALA 167 N 1.66 0.92 -0.10 1.53 0.00 -0.51 0.52 119.26 123.28 3f71 h ALA 167 Ca -0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3f71 h ALA 167 Cb 0.63 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3f71 h ALA 167 CO 0.04 0.62 0.05 0.82 0.00 0.00 0.00 179.25 180.78 3f71 h ILE 168 N 0.59 1.12 -0.51 0.00 2.04 -0.84 -1.20 117.51 118.71 3f71 h ILE 168 Ca 0.08 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.65 3f71 h ILE 168 Cb 0.74 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3f71 h ILE 168 CO 0.06 0.10 0.23 0.58 0.00 0.00 0.00 178.15 179.12 3f71 h VAL 169 N 0.04 0.91 -0.65 1.67 2.07 -1.00 -1.07 116.25 118.22 3f71 h VAL 169 Ca 0.03 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3f71 h VAL 169 Cb 0.12 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3f71 h VAL 169 CO -0.00 0.08 0.36 -0.08 0.02 0.00 0.00 177.57 177.95 3f71 h GLU 170 N 0.45 0.90 -0.74 1.57 4.81 -0.69 0.31 114.58 121.19 3f71 h GLU 170 Ca 0.23 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3f71 h GLU 170 Cb 0.19 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3f71 h GLU 170 CO -0.19 0.67 0.37 0.00 -0.73 0.00 0.00 179.01 179.13 3f71 h ALA 171 N 1.18 1.26 0.08 2.92 0.00 -0.64 -0.79 119.26 123.26 3f71 h ALA 171 Ca 0.23 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.71 3f71 h ALA 171 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3f71 h ALA 171 CO -0.04 0.58 -1.57 -0.07 0.00 0.00 0.00 179.25 178.15 3f71 h LEU 172 N 1.04 0.26 -0.85 0.00 4.07 -0.90 -3.42 115.31 115.51 3f71 h LEU 172 Ca 0.26 -0.77 0.00 0.00 0.08 0.00 0.00 57.88 57.45 3f71 h LEU 172 Cb 0.08 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3f71 h LEU 172 CO -0.04 1.66 -0.02 0.59 -1.08 0.00 0.00 178.44 179.56 3f71 n ASN 173 N -3.94 0.95 0.00 -0.43 3.02 0.11 -5.00 115.26 109.96 3f71 n ASN 173 Ca -0.30 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 3f71 n ASN 173 Cb 0.88 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 3f71 n ASN 173 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f71 n GLY 174 N 0.33 1.67 0.33 7.41 0.00 -0.30 -4.45 105.19 110.17 3f71 n GLY 174 Ca 0.01 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 3f71 n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f71 h LYS 175 N 0.00 1.08 -0.39 1.61 1.57 -1.89 -2.31 116.57 116.23 3f71 h LYS 175 Ca 0.00 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 3f71 h LYS 175 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3f71 h LYS 175 CO 0.00 0.90 -0.06 1.49 -0.57 0.00 0.00 179.45 181.21 3f71 h GLU 176 N 1.04 0.73 -0.52 3.15 4.81 -1.96 -0.97 114.58 120.86 3f71 h GLU 176 Ca 0.23 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3f71 h GLU 176 Cb 0.25 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3f71 h GLU 176 CO -0.01 0.86 0.13 0.28 -0.73 0.00 0.00 179.01 179.54 3f71 h VAL 177 N 0.54 1.24 -0.65 0.32 2.07 -1.75 -0.92 116.25 117.10 3f71 h VAL 177 Ca 0.10 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.84 3f71 h VAL 177 Cb 0.57 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3f71 h VAL 177 CO 0.03 0.31 0.35 0.00 0.02 0.00 0.00 177.57 178.28 3f71 h ALA 178 N 1.01 0.87 -0.63 1.67 0.00 -1.19 -0.24 119.26 120.75 3f71 h ALA 178 Ca 0.17 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3f71 h ALA 178 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3f71 h ALA 178 CO 0.00 0.01 0.09 0.00 0.00 0.00 0.00 179.25 179.35 3f71 h ALA 179 N 1.35 0.97 -0.50 0.00 0.00 -0.74 -0.19 119.26 120.15 3f71 h ALA 179 Ca 0.30 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3f71 h ALA 179 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3f71 h ALA 179 CO -0.20 0.64 0.11 1.96 0.00 0.00 0.00 179.25 181.77 3f71 h GLN 180 N 0.97 0.80 -0.37 0.00 4.20 -0.71 -2.65 115.11 117.35 3f71 h GLN 180 Ca 0.19 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 3f71 h GLN 180 Cb 0.44 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3f71 h GLN 180 CO 0.01 0.78 -0.31 0.28 -0.67 0.00 0.00 178.83 178.93 3f71 h VAL 181 N 0.68 1.28 -0.54 -0.54 2.07 -0.88 -3.26 116.25 115.06 3f71 h VAL 181 Ca 0.15 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 3f71 h VAL 181 Cb 0.35 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3f71 h VAL 181 CO 0.00 0.48 0.20 0.50 0.02 0.00 0.00 177.57 178.78 3f71 h LYS 182 N 0.68 0.83 -0.53 1.57 3.64 -0.83 -3.33 116.57 118.60 3f71 h LYS 182 Ca 0.08 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3f71 h LYS 182 Cb 0.85 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 3f71 h LYS 182 CO 0.07 0.73 0.31 0.00 -2.27 0.00 0.00 179.45 178.30 3f71 h ALA 183 N 1.05 0.68 0.00 5.00 0.00 -1.52 -1.18 119.26 123.30 3f71 h ALA 183 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3f71 h ALA 183 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3f71 h ALA 183 CO -0.01 0.01 0.00 -2.30 0.00 0.00 0.00 179.25 176.95 3f71 n PRO 184 N -4.80 0.22 0.18 0.00 -0.02 -1.25 -2.66 135.00 126.67 3f71 n PRO 184 Ca 0.04 0.13 0.13 0.00 -2.02 0.00 0.00 63.50 61.78 3f71 n PRO 184 Cb 0.09 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.44 3f71 n PRO 184 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3f71 h LEU 185 N 0.00 0.00 -1.86 2.45 3.38 -1.35 -3.48 115.31 114.45 3f71 h LEU 185 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3f71 h LEU 185 Cb 0.18 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.08 3f71 h LEU 185 CO 0.00 0.00 -0.66 0.52 0.09 0.00 0.00 178.44 178.39 3f71 n VAL 186 N -2.73 -5.55 -3.13 1.22 0.31 -1.09 -5.02 118.33 102.35 3f71 n VAL 186 Ca 0.04 -0.55 -0.32 0.00 -0.01 0.00 0.00 64.34 63.50 3f71 n VAL 186 Cb 0.43 -4.85 -0.06 0.00 -0.91 0.00 0.00 33.84 28.45 3f71 n VAL 186 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3f71 s LEU 187 N -5.53 4.04 0.00 7.52 1.43 -1.26 -5.18 118.68 119.70 3f71 s LEU 187 Ca 0.07 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 3f71 s LEU 187 Cb -0.01 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.19 3f71 s LEU 187 CO 0.61 -0.22 0.00 1.17 0.23 0.00 0.00 176.35 178.14