#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoe s LEU 2 N 0.00 4.18 -1.15 -0.89 2.96 -1.26 -4.27 118.68 118.25 1aoe s LEU 2 Ca 0.00 0.39 -0.25 0.00 -0.22 0.00 0.00 54.13 54.05 1aoe s LEU 2 Cb 0.00 -2.33 0.03 0.00 0.50 0.00 0.00 46.19 44.40 1aoe s LEU 2 CO 0.00 0.04 0.47 0.29 -1.32 0.00 0.00 176.35 175.83 1aoe n LYS 3 N 4.02 -0.43 -1.81 1.98 4.76 -1.26 -4.93 118.16 120.49 1aoe n LYS 3 Ca -0.12 0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 54.99 1aoe n LYS 3 Cb 0.52 -2.31 0.04 0.00 -1.84 0.00 0.00 35.03 31.44 1aoe n LYS 3 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1aoe s PRO 4 N -7.17 2.83 0.09 1.97 0.04 -1.26 -4.99 135.00 126.51 1aoe s PRO 4 Ca 0.34 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 1aoe s PRO 4 Cb -0.19 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1aoe s PRO 4 CO 0.88 -1.24 1.14 -0.80 0.04 0.00 0.00 177.00 177.02 1aoe s ASN 5 N -2.39 7.16 0.04 6.66 0.01 -1.26 -4.85 114.94 120.31 1aoe s ASN 5 Ca 0.69 2.00 0.07 0.00 -0.71 0.00 0.00 52.86 54.90 1aoe s ASN 5 Cb -0.22 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.82 1aoe s ASN 5 CO 0.39 -0.37 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.76 1aoe s VAL 6 N 0.67 2.94 0.05 1.60 1.01 -0.32 -4.34 120.40 122.01 1aoe s VAL 6 Ca 0.55 -1.15 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1aoe s VAL 6 Cb -0.28 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1aoe s VAL 6 CO 0.31 0.32 -0.22 0.00 0.00 0.00 0.00 175.10 175.51 1aoe s ALA 7 N -0.96 2.45 -0.14 5.51 0.00 -0.49 -1.22 121.76 126.91 1aoe s ALA 7 Ca 0.15 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 1aoe s ALA 7 Cb -0.11 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1aoe s ALA 7 CO 0.06 0.56 0.29 0.42 0.00 0.00 0.00 175.76 177.09 1aoe s ILE 8 N -0.89 5.29 -0.08 0.00 1.01 -0.00 -0.39 121.20 126.14 1aoe s ILE 8 Ca 0.14 0.55 0.03 0.00 0.00 0.00 0.00 60.65 61.37 1aoe s ILE 8 Cb -0.10 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.75 1aoe s ILE 8 CO 0.04 0.42 -0.17 -0.51 0.00 0.00 0.00 174.94 174.72 1aoe s ILE 9 N 0.22 1.52 0.07 2.92 2.07 -0.55 0.51 121.20 127.96 1aoe s ILE 9 Ca 0.17 -0.71 -0.21 0.00 -1.41 0.00 0.00 60.65 58.49 1aoe s ILE 9 Cb -0.13 -1.34 0.05 0.00 0.13 0.00 0.00 42.46 41.16 1aoe s ILE 9 CO 0.05 0.44 0.49 0.54 -1.91 0.00 0.00 174.94 174.55 1aoe s VAL 10 N 0.46 0.04 -0.15 4.00 0.11 -0.39 -4.55 120.40 119.92 1aoe s VAL 10 Ca -0.15 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1aoe s VAL 10 Cb -0.16 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1aoe s VAL 10 CO 0.06 -0.17 -0.14 0.00 -3.33 0.00 0.00 175.10 171.51 1aoe s ALA 11 N -2.75 2.53 0.02 1.54 0.00 -1.26 -0.14 121.76 121.70 1aoe s ALA 11 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1aoe s ALA 11 Cb -0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1aoe s ALA 11 CO -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 175.76 175.70 1aoe s ALA 12 N 0.74 0.14 -0.25 0.00 0.00 -0.08 -4.70 121.76 117.61 1aoe s ALA 12 Ca -0.06 -0.46 -0.20 0.00 0.00 0.00 0.00 51.96 51.23 1aoe s ALA 12 Cb -0.15 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1aoe s ALA 12 CO 0.01 -0.11 0.63 -1.17 0.00 0.00 0.00 175.76 175.13 1aoe s LEU 13 N -1.11 4.07 0.50 0.00 2.96 -0.79 -0.93 118.68 123.38 1aoe s LEU 13 Ca -0.12 0.73 -0.19 0.00 -0.22 0.00 0.00 54.13 54.34 1aoe s LEU 13 Cb -0.08 -2.86 -0.08 0.00 0.50 0.00 0.00 46.19 43.67 1aoe s LEU 13 CO -0.01 -0.36 1.01 -0.54 -1.32 0.00 0.00 176.35 175.14 1aoe s LYS 14 N 2.42 3.83 0.01 1.98 1.02 0.48 -0.33 119.74 129.15 1aoe s LYS 14 Ca 0.27 1.19 0.23 0.00 0.02 0.00 0.00 55.97 57.68 1aoe s LYS 14 Cb -0.16 -2.11 0.14 0.00 -0.52 0.00 0.00 37.83 35.18 1aoe s LYS 14 CO 0.09 -0.38 1.14 -0.35 -0.92 0.00 0.00 175.35 174.92 1aoe n PRO 15 N -1.24 0.07 0.09 -1.68 -0.04 -1.26 -4.72 135.00 126.21 1aoe n PRO 15 Ca 0.08 -0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 1aoe n PRO 15 Cb 0.53 -1.52 0.45 0.00 -0.04 0.00 0.00 33.50 32.92 1aoe n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aoe n ALA 16 N -1.58 2.22 -3.15 0.55 0.00 -1.24 -4.94 120.51 112.37 1aoe n ALA 16 Ca 0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1aoe n ALA 16 Cb 0.36 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.42 1aoe n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aoe n LEU 17 N -2.12 -3.90 -4.76 0.00 4.77 0.55 -4.54 117.00 106.99 1aoe n LEU 17 Ca 0.05 -0.53 -0.39 0.00 -0.03 0.00 0.00 56.01 55.11 1aoe n LEU 17 Cb 0.39 -2.69 -0.04 0.00 -2.33 0.00 0.00 43.42 38.75 1aoe n LEU 17 CO 0.28 0.28 0.77 -0.83 -1.33 0.00 0.00 177.39 176.56 1aoe s GLY 18 N -4.00 3.00 0.00 -0.72 0.00 -1.05 -0.92 107.32 103.64 1aoe s GLY 18 Ca 0.06 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.61 1aoe s GLY 18 CO 0.61 1.39 0.06 0.29 0.00 0.00 0.00 173.10 175.45 1aoe n ILE 19 N 0.94 0.00 -3.69 0.90 -5.35 -0.04 -1.89 119.36 110.23 1aoe n ILE 19 Ca 0.00 -0.24 -0.03 0.00 -0.27 0.00 0.00 62.75 62.21 1aoe n ILE 19 Cb 0.46 1.14 -0.01 0.00 -1.74 0.00 0.00 39.64 39.48 1aoe n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1aoe s GLY 20 N -0.35 -0.30 -0.21 3.28 0.00 -1.19 -4.59 107.32 103.97 1aoe s GLY 20 Ca 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 44.72 45.03 1aoe s GLY 20 CO 0.00 0.08 0.43 -0.47 0.00 0.00 0.00 173.10 173.14 1aoe s TYR 21 N -3.11 -0.83 -1.45 1.90 5.04 -0.14 -1.64 117.35 117.11 1aoe s TYR 21 Ca 0.11 1.52 -0.02 0.00 -2.44 0.00 0.00 57.07 56.25 1aoe s TYR 21 Cb -0.00 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.62 1aoe s TYR 21 CO -0.01 -0.51 0.26 0.36 -1.34 0.00 0.00 175.55 174.31 1aoe n LYS 22 N 5.39 -2.09 -0.96 4.97 0.00 -1.26 -1.27 118.16 122.95 1aoe n LYS 22 Ca -0.08 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1aoe n LYS 22 Cb 0.49 -4.02 0.00 0.00 -0.00 0.00 0.00 35.03 31.50 1aoe n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aoe n GLY 23 N -2.24 0.79 3.49 2.58 0.00 -1.26 -5.02 105.19 103.53 1aoe n GLY 23 Ca -0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1aoe n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aoe s LYS 24 N -0.13 1.71 0.24 1.61 0.00 -0.40 -4.98 119.74 117.80 1aoe s LYS 24 Ca 0.00 -1.92 -0.26 0.00 0.00 0.00 0.00 55.97 53.79 1aoe s LYS 24 Cb 0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 37.83 36.51 1aoe s LYS 24 CO 0.00 -0.05 0.86 -1.64 0.00 0.00 0.00 175.35 174.52 1aoe s MET 25 N -3.77 4.61 0.00 1.78 -1.94 -1.26 -0.97 119.30 117.75 1aoe s MET 25 Ca 0.34 1.25 0.13 0.00 -1.71 0.00 0.00 55.69 55.70 1aoe s MET 25 Cb 0.07 -3.08 0.78 0.00 2.01 0.00 0.00 34.83 34.61 1aoe s MET 25 CO 0.15 0.45 1.36 -2.30 -0.01 0.00 0.00 175.02 174.67 1aoe n PRO 26 N 1.14 0.81 -3.84 2.03 -0.02 -1.26 -4.84 135.00 129.02 1aoe n PRO 26 Ca -0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.37 1aoe n PRO 26 Cb 0.49 -1.25 -0.04 0.00 -0.02 0.00 0.00 33.50 32.68 1aoe n PRO 26 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1aoe s TRP 27 N -2.00 0.04 -0.30 6.00 -2.14 -1.26 -4.99 118.94 114.29 1aoe s TRP 27 Ca 0.20 -0.40 -0.02 0.00 2.66 0.00 0.00 56.10 58.53 1aoe s TRP 27 Cb 0.09 0.36 0.10 0.00 -3.10 0.00 0.00 33.47 30.91 1aoe s TRP 27 CO 0.15 -0.97 0.10 0.50 -2.66 0.00 0.00 176.95 174.07 1aoe s ARG 28 N -3.93 0.54 -0.37 3.25 3.52 -1.26 -5.08 118.95 115.62 1aoe s ARG 28 Ca 0.14 -0.86 -0.04 0.00 -0.13 0.00 0.00 55.73 54.84 1aoe s ARG 28 Cb -0.01 -1.74 0.08 0.00 -1.56 0.00 0.00 34.95 31.72 1aoe s ARG 28 CO 0.02 -0.97 0.15 -0.51 -0.81 0.00 0.00 175.30 173.18 1aoe s LEU 29 N 1.79 4.77 0.12 -0.88 1.43 -1.26 -5.01 118.68 119.64 1aoe s LEU 29 Ca 0.09 -1.62 -0.17 0.00 -1.03 0.00 0.00 54.13 51.40 1aoe s LEU 29 Cb -0.17 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1aoe s LEU 29 CO -0.28 -0.44 1.67 0.03 0.23 0.00 0.00 176.35 177.56 1aoe h ARG 30 N 8.13 0.52 -0.10 1.70 3.08 -1.99 -2.13 114.38 123.59 1aoe h ARG 30 Ca -0.18 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.68 1aoe h ARG 30 Cb 1.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1aoe h ARG 30 CO 0.66 0.51 -0.39 0.87 -1.07 0.00 0.00 179.97 180.55 1aoe h LYS 31 N 0.42 0.21 -0.43 0.04 1.57 -2.00 -2.84 116.57 113.55 1aoe h LYS 31 Ca 0.12 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1aoe h LYS 31 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1aoe h LYS 31 CO -0.01 0.57 -0.05 1.49 -0.57 0.00 0.00 179.45 180.88 1aoe h GLU 32 N 0.18 0.79 -0.74 3.15 4.22 -1.94 -0.97 114.58 119.26 1aoe h GLU 32 Ca 0.02 -0.28 -0.02 0.00 0.08 0.00 0.00 59.36 59.16 1aoe h GLU 32 Cb 0.77 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1aoe h GLU 32 CO 0.06 0.88 0.36 0.82 -2.18 0.00 0.00 179.01 178.96 1aoe h ILE 33 N 0.62 1.23 -0.48 2.32 2.04 -1.31 -0.75 117.51 121.18 1aoe h ILE 33 Ca 0.12 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1aoe h ILE 33 Cb 0.56 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1aoe h ILE 33 CO 0.03 0.27 0.15 -0.09 0.00 0.00 0.00 178.15 178.51 1aoe h ARG 34 N 1.04 0.75 -0.18 2.37 2.43 -1.23 -1.92 114.38 117.64 1aoe h ARG 34 Ca 0.26 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1aoe h ARG 34 Cb 0.09 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1aoe h ARG 34 CO -0.03 0.71 0.06 -0.92 -1.51 0.00 0.00 179.97 178.27 1aoe h TYR 35 N 0.64 0.11 -0.63 2.20 3.20 -0.73 -1.27 116.97 120.49 1aoe h TYR 35 Ca 0.15 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.15 1aoe h TYR 35 Cb 0.27 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.44 1aoe h TYR 35 CO 0.01 0.05 0.19 0.35 -1.64 0.00 0.00 178.16 177.13 1aoe h PHE 36 N 0.15 0.33 -0.22 -3.82 3.57 -0.98 0.70 116.94 116.67 1aoe h PHE 36 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1aoe h PHE 36 Cb 0.05 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1aoe h PHE 36 CO -0.12 0.03 0.10 -0.22 -2.23 0.00 0.00 178.31 175.88 1aoe h LYS 37 N 0.34 0.31 -0.37 1.11 3.64 -1.03 -1.95 116.57 118.62 1aoe h LYS 37 Ca 0.33 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1aoe h LYS 37 Cb 0.47 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1aoe h LYS 37 CO -0.37 0.33 0.14 -0.44 -2.27 0.00 0.00 179.45 176.84 1aoe h ASP 38 N 0.22 0.52 -0.17 4.20 3.32 -0.76 -1.51 116.42 122.24 1aoe h ASP 38 Ca 0.07 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1aoe h ASP 38 Cb 0.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1aoe h ASP 38 CO -0.01 0.56 0.08 0.58 -1.72 0.00 0.00 179.24 178.74 1aoe h VAL 39 N 0.46 1.12 0.00 -1.35 2.07 -0.86 -1.36 116.25 116.33 1aoe h VAL 39 Ca 0.12 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1aoe h VAL 39 Cb 0.21 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1aoe h VAL 39 CO -0.01 0.11 -0.14 0.71 0.02 0.00 0.00 177.57 178.27 1aoe h THR 40 N 0.15 0.33 0.08 2.57 1.35 -1.34 -3.32 112.91 112.74 1aoe h THR 40 Ca 0.06 -0.93 -0.37 0.00 -0.55 0.00 0.00 66.41 64.62 1aoe h THR 40 Cb 0.11 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 1aoe h THR 40 CO -0.01 0.13 -2.12 0.35 -0.25 0.00 0.00 175.52 173.63 1aoe n THR 41 N -3.26 1.69 -1.99 6.82 -2.24 -0.57 -4.58 114.28 110.15 1aoe n THR 41 Ca 0.01 -0.65 -0.41 0.00 -2.27 0.00 0.00 64.05 60.73 1aoe n THR 41 Cb 0.40 -1.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.04 1aoe n THR 41 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1aoe s ARG 42 N -2.55 4.25 0.14 -0.78 1.81 -0.53 -4.62 118.95 116.68 1aoe s ARG 42 Ca -0.24 2.35 0.04 0.00 -1.72 0.00 0.00 55.73 56.16 1aoe s ARG 42 Cb 0.07 -3.05 -0.04 0.00 -0.45 0.00 0.00 34.95 31.48 1aoe s ARG 42 CO 0.73 -0.36 -0.08 0.95 -0.68 0.00 0.00 175.30 175.86 1aoe s THR 43 N -0.80 1.03 -0.16 0.02 -4.23 -1.26 -4.91 115.64 105.34 1aoe s THR 43 Ca 0.53 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1aoe s THR 43 Cb -0.43 -1.86 -0.10 0.00 1.34 0.00 0.00 72.50 71.45 1aoe s THR 43 CO 0.53 -0.73 -0.14 0.35 -0.54 0.00 0.00 174.62 174.09 1aoe n THR 44 N -0.18 0.90 -1.31 3.99 -2.24 -1.26 -5.00 114.28 109.17 1aoe n THR 44 Ca -0.10 -0.34 -0.31 0.00 -2.27 0.00 0.00 64.05 61.02 1aoe n THR 44 Cb 0.61 -1.08 0.09 0.00 -2.10 0.00 0.00 70.33 67.85 1aoe n THR 44 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1aoe s LYS 45 N -2.31 2.27 0.00 -0.78 3.01 -1.26 -5.03 119.74 115.64 1aoe s LYS 45 Ca -0.21 1.24 0.00 0.00 -1.01 0.00 0.00 55.97 55.99 1aoe s LYS 45 Cb 0.06 -1.89 0.00 0.00 -1.01 0.00 0.00 37.83 34.98 1aoe s LYS 45 CO 0.36 -1.64 0.64 -0.35 0.51 0.00 0.00 175.35 174.87 1aoe n PRO 46 N -3.37 0.00 -2.11 -1.68 -0.04 -1.26 -4.17 135.00 122.38 1aoe n PRO 46 Ca 0.10 0.37 -0.38 0.00 -0.04 0.00 0.00 63.50 63.55 1aoe n PRO 46 Cb 0.53 -1.23 0.03 0.00 -0.04 0.00 0.00 33.50 32.78 1aoe n PRO 46 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1aoe n ASN 47 N -1.60 6.99 -4.63 3.54 5.03 -1.26 -4.97 115.26 118.36 1aoe n ASN 47 Ca 0.00 -3.80 -0.28 0.00 0.87 0.00 0.00 54.58 51.37 1aoe n ASN 47 Cb 0.00 -0.97 -0.11 0.00 -1.02 0.00 0.00 39.78 37.69 1aoe n ASN 47 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1aoe s THR 48 N -5.07 2.04 0.18 3.41 -4.23 -1.26 -4.95 115.64 105.77 1aoe s THR 48 Ca 0.50 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1aoe s THR 48 Cb 0.41 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 1aoe s THR 48 CO -0.35 -0.00 0.23 0.00 -0.54 0.00 0.00 174.62 173.96 1aoe s ARG 49 N -3.73 1.20 0.36 3.99 1.70 -1.12 -4.93 118.95 116.42 1aoe s ARG 49 Ca 0.36 -1.37 0.05 0.00 -0.47 0.00 0.00 55.73 54.30 1aoe s ARG 49 Cb 0.09 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1aoe s ARG 49 CO 0.19 -0.42 0.51 -0.80 -1.08 0.00 0.00 175.30 173.70 1aoe s ASN 50 N -3.05 5.93 -0.04 -2.89 0.01 -1.26 -0.57 114.94 113.06 1aoe s ASN 50 Ca 0.26 -0.11 0.05 0.00 -0.71 0.00 0.00 52.86 52.35 1aoe s ASN 50 Cb 0.04 -1.26 -0.02 0.00 0.41 0.00 0.00 41.25 40.42 1aoe s ASN 50 CO 0.06 -0.50 -0.18 0.00 -1.51 0.00 0.00 177.10 174.96 1aoe s ALA 51 N -2.26 2.50 -0.12 0.60 0.00 -0.13 -1.09 121.76 121.26 1aoe s ALA 51 Ca 0.46 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1aoe s ALA 51 Cb -0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 1aoe s ALA 51 CO 0.32 0.55 -0.19 0.14 0.00 0.00 0.00 175.76 176.58 1aoe s VAL 52 N -0.69 2.50 -0.10 0.00 -7.23 0.19 -1.03 120.40 114.04 1aoe s VAL 52 Ca 0.11 -0.85 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 1aoe s VAL 52 Cb -0.10 -2.01 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1aoe s VAL 52 CO 0.00 0.54 -0.10 0.27 -0.31 0.00 0.00 175.10 175.50 1aoe s ILE 53 N 0.41 3.34 0.07 -0.62 -5.25 0.15 -0.71 121.20 118.60 1aoe s ILE 53 Ca -0.14 -0.59 -0.04 0.00 -0.99 0.00 0.00 60.65 58.89 1aoe s ILE 53 Cb -0.17 -2.38 -0.02 0.00 2.95 0.00 0.00 42.46 42.84 1aoe s ILE 53 CO 0.06 0.56 0.07 0.00 -1.79 0.00 0.00 174.94 173.84 1aoe s MET 54 N -0.22 0.73 0.66 0.37 0.23 -0.28 -0.48 119.30 120.31 1aoe s MET 54 Ca 0.02 -1.12 -0.11 0.00 -1.03 0.00 0.00 55.69 53.45 1aoe s MET 54 Cb -0.13 0.27 -0.00 0.00 -1.53 0.00 0.00 34.83 33.44 1aoe s MET 54 CO 0.03 -0.19 1.05 0.20 -2.03 0.00 0.00 175.02 174.08 1aoe s GLY 55 N -2.90 1.63 0.29 3.16 0.00 -0.23 -1.20 107.32 108.06 1aoe s GLY 55 Ca 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 44.72 44.45 1aoe s GLY 55 CO -0.10 0.01 1.93 -0.09 0.00 0.00 0.00 173.10 174.85 1aoe h ARG 56 N -0.48 1.12 -0.54 2.90 2.43 -1.70 -2.48 114.38 115.62 1aoe h ARG 56 Ca -0.45 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 58.58 1aoe h ARG 56 Cb 1.23 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1aoe h ARG 56 CO 0.63 0.74 0.07 0.87 -1.51 0.00 0.00 179.97 180.77 1aoe h LYS 57 N 1.15 0.91 -0.26 0.20 1.57 -1.94 -0.95 116.57 117.25 1aoe h LYS 57 Ca 0.36 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1aoe h LYS 57 Cb -0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1aoe h LYS 57 CO -0.10 0.90 0.15 1.15 -0.57 0.00 0.00 179.45 180.97 1aoe h THR 58 N 0.80 1.11 -0.24 -0.16 2.02 -1.84 -1.99 112.91 112.61 1aoe h THR 58 Ca 0.16 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.12 1aoe h THR 58 Cb 0.44 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1aoe h THR 58 CO 0.01 0.11 -0.08 -0.25 0.37 0.00 0.00 175.52 175.68 1aoe h TRP 59 N 0.32 -0.19 0.00 3.16 2.91 -1.14 -1.59 115.95 119.42 1aoe h TRP 59 Ca 0.09 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 1aoe h TRP 59 Cb 0.04 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 28.81 1aoe h TRP 59 CO -0.04 -0.13 -0.04 0.93 -1.03 0.00 0.00 178.44 178.13 1aoe h GLU 60 N -0.04 0.00 0.00 2.65 5.08 -0.99 -2.53 114.58 118.75 1aoe h GLU 60 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1aoe h GLU 60 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1aoe h GLU 60 CO -0.26 0.04 0.00 0.66 -1.00 0.00 0.00 179.01 178.44 1aoe h SER 61 N 0.00 0.00 -3.34 1.42 4.64 -0.51 -3.44 113.55 112.32 1aoe h SER 61 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1aoe h SER 61 Cb 0.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 1aoe h SER 61 CO 0.00 0.00 0.02 -0.63 -0.87 0.00 0.00 176.83 175.35 1aoe s ILE 62 N -3.20 5.01 0.30 0.95 1.01 -0.95 -5.01 121.20 119.31 1aoe s ILE 62 Ca 0.08 1.30 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 1aoe s ILE 62 Cb 0.10 -3.97 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 1aoe s ILE 62 CO 0.56 0.33 1.47 -2.65 0.00 0.00 0.00 174.94 174.65 1aoe n PRO 63 N 3.37 2.40 -0.31 2.79 -0.02 -1.26 -4.83 135.00 137.14 1aoe n PRO 63 Ca -0.04 0.85 0.27 0.00 -2.02 0.00 0.00 63.50 62.55 1aoe n PRO 63 Cb 0.51 -2.55 0.60 0.00 -0.02 0.00 0.00 33.50 32.04 1aoe n PRO 63 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1aoe h GLN 64 N 3.94 0.24 0.00 -0.52 3.07 -1.93 0.26 115.11 120.17 1aoe h GLN 64 Ca -0.47 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.23 1aoe h GLN 64 Cb 1.25 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 1aoe h GLN 64 CO 0.73 0.16 -0.13 0.87 0.09 0.00 0.00 178.83 180.55 1aoe h LYS 65 N 0.25 0.00 -0.41 0.06 6.56 -2.02 -3.17 116.57 117.84 1aoe h LYS 65 Ca 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.16 1aoe h LYS 65 Cb 1.73 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.39 1aoe h LYS 65 CO -0.19 0.13 0.00 1.19 -2.06 0.00 0.00 179.45 178.52 1aoe n PHE 66 N -3.34 1.02 -4.37 -1.35 3.72 0.92 -4.92 117.46 109.14 1aoe n PHE 66 Ca -0.00 -0.68 -0.24 0.00 -0.05 0.00 0.00 57.45 56.47 1aoe n PHE 66 Cb 0.34 -0.22 -0.13 0.00 -0.94 0.00 0.00 39.48 38.53 1aoe n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1aoe s ARG 67 N -2.01 1.18 0.81 -1.08 1.70 -1.19 -4.16 118.95 114.20 1aoe s ARG 67 Ca 0.40 -1.11 -0.11 0.00 -0.47 0.00 0.00 55.73 54.44 1aoe s ARG 67 Cb 0.28 -1.42 0.08 0.00 -0.57 0.00 0.00 34.95 33.32 1aoe s ARG 67 CO 0.16 0.34 1.09 -1.25 -1.08 0.00 0.00 175.30 174.55 1aoe s PRO 68 N -1.74 1.99 0.14 3.89 0.04 -1.26 -4.97 135.00 133.09 1aoe s PRO 68 Ca 0.07 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 61.78 1aoe s PRO 68 Cb -0.10 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1aoe s PRO 68 CO 0.04 -1.78 1.48 -0.51 0.04 0.00 0.00 177.00 176.27 1aoe s LEU 69 N -5.97 4.37 0.65 -3.56 1.43 -1.26 -4.92 118.68 109.42 1aoe s LEU 69 Ca 0.61 2.48 -0.17 0.00 -1.03 0.00 0.00 54.13 56.03 1aoe s LEU 69 Cb -0.17 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 1aoe s LEU 69 CO 0.56 -0.74 1.18 -2.16 0.23 0.00 0.00 176.35 175.41 1aoe s PRO 70 N 1.13 2.68 0.00 1.29 0.04 -1.26 -3.53 135.00 135.34 1aoe s PRO 70 Ca 0.67 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1aoe s PRO 70 Cb -0.40 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1aoe s PRO 70 CO 0.31 -1.40 0.00 -0.25 0.04 0.00 0.00 177.00 175.70 1aoe n ASP 71 N -2.16 -3.84 -4.11 6.66 8.00 -1.26 -4.98 116.55 114.85 1aoe n ASP 71 Ca 0.13 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.48 1aoe n ASP 71 Cb 0.51 -1.95 -0.11 0.00 -0.02 0.00 0.00 41.12 39.55 1aoe n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1aoe s ARG 72 N -0.96 0.66 -0.11 -1.24 0.52 -1.23 -4.52 118.95 112.06 1aoe s ARG 72 Ca 0.00 -0.90 -0.30 0.00 -0.52 0.00 0.00 55.73 54.01 1aoe s ARG 72 Cb 0.00 -0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.03 1aoe s ARG 72 CO 0.00 0.08 1.10 -1.17 0.02 0.00 0.00 175.30 175.32 1aoe s LEU 73 N -1.86 4.23 -0.19 2.53 2.96 -0.25 -4.81 118.68 121.29 1aoe s LEU 73 Ca -0.04 1.62 -0.13 0.00 -0.22 0.00 0.00 54.13 55.36 1aoe s LEU 73 Cb -0.08 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1aoe s LEU 73 CO 0.00 -0.55 0.26 0.20 -1.32 0.00 0.00 176.35 174.94 1aoe s ASN 74 N 1.31 6.34 -0.13 3.68 0.02 0.63 -0.64 114.94 126.15 1aoe s ASN 74 Ca 0.51 0.39 0.02 0.00 -1.02 0.00 0.00 52.86 52.75 1aoe s ASN 74 Cb -0.20 -2.16 -0.00 0.00 0.02 0.00 0.00 41.25 38.90 1aoe s ASN 74 CO 0.17 0.07 -0.19 -0.63 0.02 0.00 0.00 177.10 176.54 1aoe s ILE 75 N 0.74 2.41 -0.12 0.60 1.01 0.12 -1.10 121.20 124.86 1aoe s ILE 75 Ca 0.14 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1aoe s ILE 75 Cb -0.13 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 1aoe s ILE 75 CO 0.04 0.54 -0.18 -0.63 0.00 0.00 0.00 174.94 174.71 1aoe s ILE 76 N 0.53 2.55 -0.14 2.92 1.09 -0.38 -1.12 121.20 126.66 1aoe s ILE 76 Ca -0.12 -0.84 -0.05 0.00 -1.10 0.00 0.00 60.65 58.55 1aoe s ILE 76 Cb -0.17 -2.03 -0.04 0.00 -1.06 0.00 0.00 42.46 39.16 1aoe s ILE 76 CO 0.04 0.54 0.03 -0.76 -0.10 0.00 0.00 174.94 174.69 1aoe s LEU 77 N 0.40 3.68 -0.08 2.97 1.43 -0.34 -2.04 118.68 124.70 1aoe s LEU 77 Ca -0.14 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1aoe s LEU 77 Cb -0.17 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1aoe s LEU 77 CO 0.06 0.27 0.25 -0.55 0.23 0.00 0.00 176.35 176.62 1aoe s SER 78 N -0.22 -0.23 0.58 2.29 0.15 -0.74 -1.74 113.70 113.79 1aoe s SER 78 Ca 0.06 0.39 0.37 0.00 0.70 0.00 0.00 55.95 57.47 1aoe s SER 78 Cb -0.12 0.47 1.73 0.00 -1.71 0.00 0.00 66.02 66.38 1aoe s SER 78 CO 0.02 -0.17 2.11 0.03 1.20 0.00 0.00 173.24 176.43 1aoe h ARG 79 N 5.33 0.00 -0.00 5.44 3.08 -1.85 -2.45 114.38 123.92 1aoe h ARG 79 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1aoe h ARG 79 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1aoe h ARG 79 CO 0.36 0.00 -0.30 -1.13 -1.07 0.00 0.00 179.97 177.82 1aoe n SER 80 N -3.04 0.41 -4.80 7.04 3.41 -1.26 -4.94 113.62 110.44 1aoe n SER 80 Ca -0.01 -0.15 -0.38 0.00 -0.26 0.00 0.00 58.87 58.08 1aoe n SER 80 Cb 0.22 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1aoe n SER 80 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1aoe s TYR 81 N -2.90 3.78 0.41 7.33 2.02 -0.92 -5.07 117.35 122.00 1aoe s TYR 81 Ca 0.15 1.41 -0.12 0.00 -0.37 0.00 0.00 57.07 58.14 1aoe s TYR 81 Cb 0.18 -2.61 -0.07 0.00 -0.40 0.00 0.00 41.96 39.07 1aoe s TYR 81 CO 0.61 0.48 0.80 -1.21 -1.57 0.00 0.00 175.55 174.67 1aoe s GLU 82 N -1.43 3.83 -0.54 -0.62 0.41 -1.26 -3.79 118.70 115.29 1aoe s GLU 82 Ca 0.36 0.56 -0.27 0.00 -0.41 0.00 0.00 54.97 55.21 1aoe s GLU 82 Cb -0.19 -2.36 -0.01 0.00 -1.78 0.00 0.00 34.13 29.79 1aoe s GLU 82 CO 0.22 -0.05 1.68 -0.80 -0.49 0.00 0.00 175.26 175.82 1aoe s ASN 83 N -3.05 5.71 -0.01 -0.19 0.01 -1.26 -4.11 114.94 112.04 1aoe s ASN 83 Ca 0.53 0.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.17 1aoe s ASN 83 Cb -0.10 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1aoe s ASN 83 CO 0.30 -2.00 0.01 -0.70 -1.51 0.00 0.00 177.10 173.19 1aoe s GLU 84 N 6.21 0.01 -0.36 -0.60 2.12 -0.38 -5.01 118.70 120.70 1aoe s GLU 84 Ca 0.64 0.05 -0.24 0.00 0.36 0.00 0.00 54.97 55.78 1aoe s GLU 84 Cb -0.14 -0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.16 1aoe s GLU 84 CO 0.24 -0.05 0.83 0.42 -0.54 0.00 0.00 175.26 176.17 1aoe s ILE 85 N 0.35 4.69 -0.08 -3.70 1.01 -1.26 -0.43 121.20 121.78 1aoe s ILE 85 Ca -0.03 1.03 -0.12 0.00 0.00 0.00 0.00 60.65 61.53 1aoe s ILE 85 Cb -0.04 -4.24 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 1aoe s ILE 85 CO -0.01 -0.44 0.43 0.40 0.00 0.00 0.00 174.94 175.31 1aoe h ILE 86 N 5.76 0.46 -1.86 2.92 2.04 -1.21 -3.49 117.51 122.14 1aoe h ILE 86 Ca -0.24 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1aoe h ILE 86 Cb 1.09 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1aoe h ILE 86 CO 0.93 0.14 0.00 -0.90 0.00 0.00 0.00 178.15 178.32 1aoe n ASP 87 N -4.85 0.00 0.26 1.72 5.68 -1.10 -4.99 116.55 113.27 1aoe n ASP 87 Ca -0.05 -0.86 0.17 0.00 -0.50 0.00 0.00 54.79 53.56 1aoe n ASP 87 Cb 0.17 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 40.97 1aoe n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1aoe h ASP 88 N 0.00 0.00 0.00 -1.12 3.58 -2.02 -3.00 116.42 113.86 1aoe h ASP 88 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1aoe h ASP 88 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1aoe h ASP 88 CO 0.00 0.00 -0.54 0.59 -2.88 0.00 0.00 179.24 176.41 1aoe n ASN 89 N -2.84 0.54 -3.94 2.28 3.02 -1.26 -4.91 115.26 108.15 1aoe n ASN 89 Ca -0.01 -0.77 -0.20 0.00 -0.03 0.00 0.00 54.58 53.58 1aoe n ASN 89 Cb 0.18 1.00 -0.16 0.00 -0.61 0.00 0.00 39.78 40.19 1aoe n ASN 89 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1aoe s ILE 90 N -2.09 0.61 -0.03 2.41 1.01 -1.13 -0.27 121.20 121.71 1aoe s ILE 90 Ca 0.04 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.52 1aoe s ILE 90 Cb 0.09 -0.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.96 1aoe s ILE 90 CO 0.47 0.22 -0.17 -0.63 0.00 0.00 0.00 174.94 174.83 1aoe s ILE 91 N 0.52 1.40 -0.09 2.92 1.01 -0.25 -0.58 121.20 126.13 1aoe s ILE 91 Ca -0.07 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1aoe s ILE 91 Cb -0.11 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1aoe s ILE 91 CO 0.00 0.40 0.02 -1.00 0.00 0.00 0.00 174.94 174.36 1aoe s HIS 92 N -0.18 3.21 0.16 3.97 3.76 0.43 -1.25 115.29 125.39 1aoe s HIS 92 Ca 0.01 0.21 -0.18 0.00 -0.15 0.00 0.00 55.06 54.96 1aoe s HIS 92 Cb -0.09 -1.82 0.04 0.00 1.11 0.00 0.00 32.58 31.82 1aoe s HIS 92 CO 0.01 0.47 0.48 0.00 -0.85 0.00 0.00 174.74 174.84 1aoe s ALA 93 N -0.81 -1.03 -1.71 -1.40 0.00 -0.87 -1.25 121.76 114.70 1aoe s ALA 93 Ca 0.13 -0.04 0.15 0.00 0.00 0.00 0.00 51.96 52.19 1aoe s ALA 93 Cb -0.12 0.79 0.09 0.00 0.00 0.00 0.00 23.12 23.88 1aoe s ALA 93 CO 0.02 -0.72 0.92 -1.13 0.00 0.00 0.00 175.76 174.85 1aoe n SER 94 N -0.29 2.06 -3.71 0.00 3.41 -1.25 -1.78 113.62 112.06 1aoe n SER 94 Ca -0.14 -1.53 -0.14 0.00 -0.26 0.00 0.00 58.87 56.80 1aoe n SER 94 Cb 0.63 0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 64.60 1aoe n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1aoe s SER 95 N -1.33 -0.34 0.13 4.04 1.04 -1.26 -4.72 113.70 111.26 1aoe s SER 95 Ca 0.16 0.40 -0.21 0.00 0.48 0.00 0.00 55.95 56.78 1aoe s SER 95 Cb 0.12 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1aoe s SER 95 CO 0.22 -0.39 1.69 -0.29 0.98 0.00 0.00 173.24 175.45 1aoe h ILE 96 N 3.89 0.71 -0.49 -1.02 2.10 -2.00 -1.62 117.51 119.08 1aoe h ILE 96 Ca -0.28 0.00 -0.10 0.00 1.08 0.00 0.00 64.86 65.56 1aoe h ILE 96 Cb 1.17 0.71 -0.02 0.00 -1.09 0.00 0.00 36.82 37.59 1aoe h ILE 96 CO 0.35 0.00 -0.08 -0.08 -1.08 0.00 0.00 178.15 177.26 1aoe h GLU 97 N -0.09 0.88 -0.43 2.19 4.81 -2.00 -2.12 114.58 117.82 1aoe h GLU 97 Ca 0.09 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1aoe h GLU 97 Cb 0.23 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1aoe h GLU 97 CO -0.21 0.93 0.06 0.77 -0.73 0.00 0.00 179.01 179.83 1aoe h SER 98 N 0.79 0.61 -0.53 1.04 0.02 -1.94 -2.75 113.55 110.80 1aoe h SER 98 Ca 0.13 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 1aoe h SER 98 Cb 0.59 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1aoe h SER 98 CO 0.04 0.64 0.05 0.77 -1.14 0.00 0.00 176.83 177.19 1aoe h SER 99 N 0.63 0.90 0.49 3.07 4.64 -0.71 -2.91 113.55 119.67 1aoe h SER 99 Ca 0.14 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1aoe h SER 99 Cb 0.30 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1aoe h SER 99 CO 0.00 0.93 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.74 1aoe h LEU 100 N 0.88 0.00 -1.46 5.97 3.38 -1.10 -1.96 115.31 121.02 1aoe h LEU 100 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1aoe h LEU 100 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1aoe h LEU 100 CO 0.02 0.09 -0.25 0.78 0.09 0.00 0.00 178.44 179.16 1aoe h ASN 101 N 0.00 0.00 0.68 -0.43 2.35 -1.44 0.47 115.58 117.21 1aoe h ASN 101 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1aoe h ASN 101 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1aoe h ASN 101 CO 0.01 0.25 -0.14 0.18 -1.65 0.00 0.00 177.43 176.08 1aoe n LEU 102 N -3.78 0.24 -4.77 1.61 7.99 -0.74 -4.29 117.00 113.27 1aoe n LEU 102 Ca -0.01 0.24 -0.26 0.00 -0.01 0.00 0.00 56.01 55.96 1aoe n LEU 102 Cb 0.35 -0.34 -0.06 0.00 -0.11 0.00 0.00 43.42 43.26 1aoe n LEU 102 CO 0.34 0.05 -0.25 0.68 -1.51 0.00 0.00 177.39 176.71 1aoe s VAL 103 N -2.82 4.31 0.13 4.08 -7.23 -1.05 -5.00 120.40 112.82 1aoe s VAL 103 Ca 0.19 -1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 59.05 1aoe s VAL 103 Cb 0.19 -3.19 0.03 0.00 0.56 0.00 0.00 36.38 33.98 1aoe s VAL 103 CO 0.55 -0.10 0.40 -0.94 -0.31 0.00 0.00 175.10 174.70 1aoe s SER 104 N -3.03 -0.23 -1.41 4.85 1.04 -1.26 -1.88 113.70 111.78 1aoe s SER 104 Ca 0.30 -0.33 -0.05 0.00 0.48 0.00 0.00 55.95 56.34 1aoe s SER 104 Cb -0.10 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.50 1aoe s SER 104 CO 0.22 -0.86 0.71 -0.90 0.98 0.00 0.00 173.24 173.39 1aoe n ASP 105 N -0.23 -5.92 -4.57 7.02 5.68 -1.26 -5.00 116.55 112.28 1aoe n ASP 105 Ca -0.16 -0.33 -0.34 0.00 -0.50 0.00 0.00 54.79 53.46 1aoe n ASP 105 Cb 0.64 -4.68 -0.11 0.00 -1.14 0.00 0.00 41.12 35.82 1aoe n ASP 105 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1aoe s VAL 106 N -3.18 3.96 0.00 2.12 1.01 -1.26 -2.78 120.40 120.27 1aoe s VAL 106 Ca 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1aoe s VAL 106 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1aoe s VAL 106 CO 0.43 0.55 0.00 1.21 0.00 0.00 0.00 175.10 177.30 1aoe n GLU 107 N 2.78 0.00 -4.31 2.72 2.13 0.26 -4.92 120.64 119.31 1aoe n GLU 107 Ca -0.18 0.26 -0.25 0.00 0.66 0.00 0.00 57.16 57.65 1aoe n GLU 107 Cb 0.53 -0.72 -0.08 0.00 0.27 0.00 0.00 31.44 31.43 1aoe n GLU 107 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1aoe s ARG 108 N -0.79 2.13 -0.09 5.31 0.52 -1.26 -5.03 118.95 119.74 1aoe s ARG 108 Ca 0.00 -1.37 0.04 0.00 -0.52 0.00 0.00 55.73 53.88 1aoe s ARG 108 Cb 0.00 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1aoe s ARG 108 CO 0.00 0.40 -0.21 0.54 0.02 0.00 0.00 175.30 176.04 1aoe s VAL 109 N -2.02 1.85 -0.04 3.52 0.11 -1.26 -0.96 120.40 121.59 1aoe s VAL 109 Ca 0.28 -0.90 0.05 0.00 -2.93 0.00 0.00 61.98 58.48 1aoe s VAL 109 Cb -0.08 -1.60 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 1aoe s VAL 109 CO 0.17 0.51 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.89 1aoe s PHE 110 N 0.35 2.01 -0.27 1.54 0.08 -0.20 -1.40 117.98 120.09 1aoe s PHE 110 Ca -0.16 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.19 1aoe s PHE 110 Cb -0.17 -1.32 -0.03 0.00 -0.57 0.00 0.00 43.02 40.92 1aoe s PHE 110 CO 0.07 -0.15 0.43 0.42 -0.10 0.00 0.00 175.22 175.89 1aoe s ILE 111 N -0.17 5.13 -1.63 0.64 1.01 0.47 0.32 121.20 126.98 1aoe s ILE 111 Ca -0.01 0.68 0.16 0.00 0.00 0.00 0.00 60.65 61.48 1aoe s ILE 111 Cb -0.11 -3.75 0.31 0.00 0.01 0.00 0.00 42.46 38.91 1aoe s ILE 111 CO 0.02 0.12 1.21 2.30 0.00 0.00 0.00 174.94 178.59 1aoe n ILE 112 N 5.14 0.57 0.00 2.92 -5.35 0.37 -1.48 119.36 121.53 1aoe n ILE 112 Ca -0.07 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 1aoe n ILE 112 Cb 0.50 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 1aoe n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1aoe n GLY 113 N 0.94 1.21 0.00 3.28 0.00 -1.26 -4.97 105.19 104.40 1aoe n GLY 113 Ca 0.14 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1aoe n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aoe n GLY 114 N -1.23 1.82 0.21 -0.02 0.00 -1.26 -1.07 105.19 103.63 1aoe n GLY 114 Ca 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 46.02 44.13 1aoe n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aoe h ALA 115 N -1.09 0.24 -0.52 4.61 0.00 -1.97 0.14 119.26 120.67 1aoe h ALA 115 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1aoe h ALA 115 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1aoe h ALA 115 CO 0.00 -0.48 0.26 1.49 0.00 0.00 0.00 179.25 180.51 1aoe h GLU 116 N -0.04 0.74 -0.19 0.00 4.81 -1.95 -0.27 114.58 117.68 1aoe h GLU 116 Ca 0.21 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1aoe h GLU 116 Cb 0.36 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1aoe h GLU 116 CO -0.47 0.61 0.08 0.82 -0.73 0.00 0.00 179.01 179.32 1aoe h ILE 117 N 0.69 0.97 -0.15 2.32 1.08 -1.77 -1.97 117.51 118.68 1aoe h ILE 117 Ca 0.18 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1aoe h ILE 117 Cb 0.11 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1aoe h ILE 117 CO -0.02 0.03 0.05 1.88 -0.69 0.00 0.00 178.15 179.40 1aoe h TYR 118 N 0.18 0.09 0.00 1.37 0.05 -0.39 -0.64 116.97 117.62 1aoe h TYR 118 Ca 0.08 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 1aoe h TYR 118 Cb 0.04 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1aoe h TYR 118 CO -0.11 0.04 -0.22 -0.91 -1.05 0.00 0.00 178.16 175.92 1aoe h ASN 119 N 0.12 0.00 0.06 3.88 2.35 -0.94 -1.74 115.58 119.31 1aoe h ASN 119 Ca 0.06 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.57 1aoe h ASN 119 Cb 0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1aoe h ASN 119 CO -0.07 0.22 -1.31 -0.08 -1.65 0.00 0.00 177.43 174.54 1aoe h GLU 120 N 0.00 0.13 0.00 0.81 4.57 -1.26 -3.40 114.58 115.43 1aoe h GLU 120 Ca -0.00 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1aoe h GLU 120 Cb 0.40 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1aoe h GLU 120 CO 0.03 1.10 0.00 -0.07 -1.18 0.00 0.00 179.01 178.89 1aoe h LEU 121 N -0.59 0.00 -1.93 1.64 4.07 -1.04 -3.06 115.31 114.39 1aoe h LEU 121 Ca -0.31 0.00 0.07 0.00 0.08 0.00 0.00 57.88 57.72 1aoe h LEU 121 Cb 1.55 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.28 1aoe h LEU 121 CO -0.05 0.00 0.21 -0.29 -1.08 0.00 0.00 178.44 177.23 1aoe h ILE 122 N 0.00 0.90 -0.41 1.22 6.09 -1.52 -0.43 117.51 123.36 1aoe h ILE 122 Ca 0.00 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 1aoe h ILE 122 Cb 0.58 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1aoe h ILE 122 CO 0.00 0.02 0.00 0.59 -3.07 0.00 0.00 178.15 175.69 1aoe n ASN 123 N -4.47 2.26 -4.68 2.19 3.02 -1.16 -4.84 115.26 107.58 1aoe n ASN 123 Ca 0.04 -2.02 -0.38 0.00 -0.03 0.00 0.00 54.58 52.20 1aoe n ASN 123 Cb 0.31 -0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 1aoe n ASN 123 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1aoe s ASN 124 N -0.98 6.40 0.38 6.41 3.84 -0.17 -4.97 114.94 125.85 1aoe s ASN 124 Ca 0.28 0.47 0.27 0.00 0.21 0.00 0.00 52.86 54.08 1aoe s ASN 124 Cb 0.15 -2.21 1.37 0.00 -0.55 0.00 0.00 41.25 40.01 1aoe s ASN 124 CO 0.19 -0.03 1.81 0.77 -2.79 0.00 0.00 177.10 177.04 1aoe h SER 125 N 7.28 0.00 -0.28 -4.21 4.64 -1.88 -1.10 113.55 118.01 1aoe h SER 125 Ca -0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 1aoe h SER 125 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1aoe h SER 125 CO 0.71 0.00 0.11 -0.07 -0.87 0.00 0.00 176.83 176.72 1aoe h LEU 126 N 0.00 0.43 -8.97 5.97 3.38 -1.92 -3.41 115.31 110.79 1aoe h LEU 126 Ca 0.00 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.36 1aoe h LEU 126 Cb 0.08 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1aoe h LEU 126 CO 0.00 0.41 1.17 -0.69 0.09 0.00 0.00 178.44 179.43 1aoe s VAL 127 N -5.20 3.63 -0.03 1.22 1.01 -0.42 -1.17 120.40 119.44 1aoe s VAL 127 Ca -0.08 0.69 0.10 0.00 0.00 0.00 0.00 61.98 62.69 1aoe s VAL 127 Cb 0.16 -3.71 -0.15 0.00 0.00 0.00 0.00 36.38 32.68 1aoe s VAL 127 CO 0.74 -0.36 0.19 -1.54 0.00 0.00 0.00 175.10 174.13 1aoe n SER 128 N 9.06 2.69 -3.93 3.32 3.41 -0.36 -4.92 113.62 122.89 1aoe n SER 128 Ca 0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.70 1aoe n SER 128 Cb 0.46 1.34 -0.13 0.00 -0.26 0.00 0.00 64.21 65.62 1aoe n SER 128 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1aoe s HIS 129 N -2.62 0.19 -0.15 7.33 3.76 -1.20 -4.06 115.29 118.54 1aoe s HIS 129 Ca -0.04 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1aoe s HIS 129 Cb 0.06 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.62 1aoe s HIS 129 CO 0.41 -0.08 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.53 1aoe s LEU 130 N -0.69 2.31 -0.43 0.89 1.43 -0.60 -0.82 118.68 120.77 1aoe s LEU 130 Ca -0.07 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1aoe s LEU 130 Cb -0.05 -1.51 0.10 0.00 0.03 0.00 0.00 46.19 44.76 1aoe s LEU 130 CO -0.00 0.08 0.26 -0.76 0.23 0.00 0.00 176.35 176.16 1aoe s LEU 131 N 0.82 5.27 -0.19 1.79 1.02 0.18 -0.66 118.68 126.92 1aoe s LEU 131 Ca -0.06 -1.74 -0.03 0.00 0.02 0.00 0.00 54.13 52.32 1aoe s LEU 131 Cb -0.15 -1.94 -0.01 0.00 0.02 0.00 0.00 46.19 44.11 1aoe s LEU 131 CO -0.01 -0.57 -0.08 -0.63 0.02 0.00 0.00 176.35 175.08 1aoe s ILE 132 N 1.33 3.25 -0.30 -0.59 1.01 -0.78 -1.26 121.20 123.85 1aoe s ILE 132 Ca 0.05 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 1aoe s ILE 132 Cb -0.24 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1aoe s ILE 132 CO -0.00 0.46 0.80 -0.89 0.00 0.00 0.00 174.94 175.30 1aoe s THR 133 N 1.07 4.79 -0.41 2.92 2.01 0.81 -1.63 115.64 125.19 1aoe s THR 133 Ca 0.01 1.21 -0.18 0.00 0.31 0.00 0.00 61.69 63.04 1aoe s THR 133 Cb -0.15 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.23 1aoe s THR 133 CO -0.01 -0.25 0.48 -1.61 -0.69 0.00 0.00 174.62 172.54 1aoe s GLU 134 N 2.97 3.22 -0.09 4.92 2.02 0.29 -0.91 118.70 131.12 1aoe s GLU 134 Ca 0.33 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.67 1aoe s GLU 134 Cb -0.14 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 1aoe s GLU 134 CO 0.12 -0.84 0.14 0.42 0.02 0.00 0.00 175.26 175.13 1aoe s ILE 135 N 2.29 5.40 0.06 -1.63 1.01 -0.11 -2.13 121.20 126.09 1aoe s ILE 135 Ca 0.15 0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.94 1aoe s ILE 135 Cb -0.16 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1aoe s ILE 135 CO 0.14 0.54 -0.18 -1.61 0.00 0.00 0.00 174.94 173.83 1aoe s GLU 136 N -1.25 1.13 0.00 2.79 2.02 0.17 -0.39 118.70 123.17 1aoe s GLU 136 Ca 0.18 -0.95 -0.04 0.00 0.02 0.00 0.00 54.97 54.18 1aoe s GLU 136 Cb -0.12 -1.25 -0.01 0.00 0.10 0.00 0.00 34.13 32.86 1aoe s GLU 136 CO 0.08 0.30 0.07 -1.58 0.02 0.00 0.00 175.26 174.15 1aoe s HIS 137 N -0.96 0.10 0.47 1.61 5.65 -1.26 -1.14 115.29 119.75 1aoe s HIS 137 Ca 0.05 -0.21 0.21 0.00 0.25 0.00 0.00 55.06 55.35 1aoe s HIS 137 Cb -0.09 -0.09 1.31 0.00 -1.18 0.00 0.00 32.58 32.54 1aoe s HIS 137 CO 0.02 -0.21 2.08 -1.00 -0.65 0.00 0.00 174.74 174.98 1aoe h PRO 138 N 4.69 0.00 -1.91 2.88 0.13 -2.00 -3.34 132.00 132.45 1aoe h PRO 138 Ca -0.30 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.30 1aoe h PRO 138 Cb 1.20 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.97 1aoe h PRO 138 CO 0.41 0.11 -1.00 0.45 -0.23 0.00 0.00 178.00 177.74 1aoe n SER 139 N -4.06 -0.39 0.28 1.44 2.88 -1.26 -4.97 113.62 107.54 1aoe n SER 139 Ca -0.02 -2.66 0.12 0.00 -1.33 0.00 0.00 58.87 54.98 1aoe n SER 139 Cb 0.20 -0.34 0.80 0.00 -0.75 0.00 0.00 64.21 64.12 1aoe n SER 139 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1aoe h PRO 140 N 4.49 0.00 0.00 -1.46 0.13 -1.90 -1.45 132.00 131.81 1aoe h PRO 140 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1aoe h PRO 140 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1aoe h PRO 140 CO 0.41 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.23 1aoe h GLU 141 N 0.00 0.00 0.00 0.86 9.09 -1.94 -2.27 114.58 120.32 1aoe h GLU 141 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1aoe h GLU 141 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 1aoe h GLU 141 CO 0.00 0.00 -0.54 -1.13 0.05 0.00 0.00 179.01 177.39 1aoe n SER 142 N -2.59 0.57 -4.62 3.06 3.41 -0.54 -4.77 113.62 108.14 1aoe n SER 142 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.21 1aoe n SER 142 Cb 0.18 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 1aoe n SER 142 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1aoe s ILE 143 N -3.09 4.99 -0.20 -1.33 1.01 -0.85 -5.01 121.20 116.71 1aoe s ILE 143 Ca 0.09 1.10 -0.29 0.00 0.00 0.00 0.00 60.65 61.54 1aoe s ILE 143 Cb 0.15 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 1aoe s ILE 143 CO 0.70 0.02 1.26 -1.61 0.00 0.00 0.00 174.94 175.31 1aoe s GLU 144 N 2.50 4.16 0.01 2.79 0.41 -1.26 -5.00 118.70 122.32 1aoe s GLU 144 Ca 0.26 1.56 0.03 0.00 -0.41 0.00 0.00 54.97 56.41 1aoe s GLU 144 Cb -0.15 -3.78 -0.01 0.00 -1.78 0.00 0.00 34.13 28.40 1aoe s GLU 144 CO 0.09 -0.79 -0.10 -1.64 -0.49 0.00 0.00 175.26 172.33 1aoe s MET 145 N 3.63 0.72 0.00 1.61 -1.94 -1.26 -4.66 119.30 117.40 1aoe s MET 145 Ca 0.55 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 54.03 1aoe s MET 145 Cb -0.20 -0.67 0.00 0.00 2.01 0.00 0.00 34.83 35.97 1aoe s MET 145 CO 0.16 0.17 0.06 -0.40 -0.01 0.00 0.00 175.02 175.00 1aoe n ASP 146 N 2.38 0.13 -3.98 3.03 5.68 -0.65 -5.00 116.55 118.14 1aoe n ASP 146 Ca -0.16 -0.47 -0.23 0.00 -0.50 0.00 0.00 54.79 53.43 1aoe n ASP 146 Cb 0.56 0.58 -0.16 0.00 -1.14 0.00 0.00 41.12 40.95 1aoe n ASP 146 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1aoe s THR 147 N -0.58 0.93 0.05 2.12 2.01 -1.07 -5.02 115.64 114.08 1aoe s THR 147 Ca 0.00 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1aoe s THR 147 Cb 0.00 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1aoe s THR 147 CO 0.00 0.31 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.83 1aoe s PHE 148 N 0.74 0.55 0.31 4.92 0.40 -1.26 -0.86 117.98 122.78 1aoe s PHE 148 Ca -0.14 -0.72 -0.27 0.00 -0.60 0.00 0.00 56.93 55.21 1aoe s PHE 148 Cb -0.15 -0.35 -0.10 0.00 0.51 0.00 0.00 43.02 42.93 1aoe s PHE 148 CO 0.03 -0.20 0.97 -0.51 0.70 0.00 0.00 175.22 176.21 1aoe s LEU 149 N -2.13 4.39 -0.59 -0.37 1.43 -0.09 -4.94 118.68 116.38 1aoe s LEU 149 Ca -0.04 1.93 0.06 0.00 -1.03 0.00 0.00 54.13 55.05 1aoe s LEU 149 Cb -0.03 -3.93 0.21 0.00 0.03 0.00 0.00 46.19 42.47 1aoe s LEU 149 CO -0.03 -0.09 0.56 2.29 0.23 0.00 0.00 176.35 179.31 1aoe n LYS 150 N 0.70 1.65 -4.25 1.70 2.85 -1.26 -4.90 118.16 114.64 1aoe n LYS 150 Ca 0.01 -4.15 -0.35 0.00 -1.05 0.00 0.00 58.31 52.77 1aoe n LYS 150 Cb 0.49 -2.01 -0.10 0.00 -0.65 0.00 0.00 35.03 32.76 1aoe n LYS 150 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1aoe s PHE 151 N -1.54 3.20 -1.32 5.58 0.08 -1.26 -4.88 117.98 117.85 1aoe s PHE 151 Ca 0.33 0.13 -0.13 0.00 0.12 0.00 0.00 56.93 57.38 1aoe s PHE 151 Cb 0.07 -1.89 0.12 0.00 -0.57 0.00 0.00 43.02 40.74 1aoe s PHE 151 CO -0.11 0.35 1.86 -0.35 -0.10 0.00 0.00 175.22 176.87 1aoe n PRO 152 N 2.64 3.28 0.12 0.24 -0.04 -1.26 -4.76 135.00 135.21 1aoe n PRO 152 Ca -0.18 -3.30 0.10 0.00 -0.04 0.00 0.00 63.50 60.08 1aoe n PRO 152 Cb 0.53 -3.16 0.46 0.00 -0.04 0.00 0.00 33.50 31.30 1aoe n PRO 152 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1aoe n LEU 153 N 5.69 0.51 0.19 1.53 4.77 -1.26 -1.72 117.00 126.71 1aoe n LEU 153 Ca 0.44 0.67 0.14 0.00 -0.03 0.00 0.00 56.01 57.23 1aoe n LEU 153 Cb 0.40 -0.64 0.61 0.00 -2.33 0.00 0.00 43.42 41.45 1aoe n LEU 153 CO 0.79 -0.65 0.92 1.05 -1.33 0.00 0.00 177.39 178.17 1aoe h GLU 154 N 0.00 0.00 -0.19 3.23 9.09 -2.03 -1.17 114.58 123.50 1aoe h GLU 154 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1aoe h GLU 154 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1aoe h GLU 154 CO 0.00 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.49 1aoe n SER 155 N -2.56 2.73 -4.43 3.06 7.64 -0.70 -4.94 113.62 114.43 1aoe n SER 155 Ca 0.01 -1.88 -0.24 0.00 1.01 0.00 0.00 58.87 57.77 1aoe n SER 155 Cb 0.23 -0.12 -0.11 0.00 -1.01 0.00 0.00 64.21 63.20 1aoe n SER 155 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1aoe s TRP 156 N -1.77 2.19 -0.10 1.43 0.52 -0.44 -1.58 118.94 119.20 1aoe s TRP 156 Ca 0.34 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.13 1aoe s TRP 156 Cb 0.21 -1.02 0.00 0.00 -1.15 0.00 0.00 33.47 31.51 1aoe s TRP 156 CO 0.30 0.56 -0.23 0.99 0.02 0.00 0.00 176.95 178.60 1aoe s THR 157 N -2.17 1.95 -0.16 2.01 2.01 0.17 -4.80 115.64 114.65 1aoe s THR 157 Ca 0.24 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 1aoe s THR 157 Cb -0.06 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1aoe s THR 157 CO 0.11 0.54 0.99 -0.75 -0.69 0.00 0.00 174.62 174.82 1aoe s LYS 158 N 0.37 4.35 0.56 4.92 2.20 -1.26 -0.80 119.74 130.08 1aoe s LYS 158 Ca -0.18 1.31 -0.07 0.00 -0.36 0.00 0.00 55.97 56.68 1aoe s LYS 158 Cb -0.18 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.55 1aoe s LYS 158 CO 0.08 -0.42 0.89 -0.65 -0.36 0.00 0.00 175.35 174.89 1aoe s GLN 159 N 2.43 3.20 0.80 4.03 -1.52 0.43 -4.99 119.66 124.03 1aoe s GLN 159 Ca 0.45 0.17 -0.11 0.00 -1.95 0.00 0.00 55.36 53.93 1aoe s GLN 159 Cb -0.17 -2.27 0.07 0.00 -0.22 0.00 0.00 33.01 30.42 1aoe s GLN 159 CO 0.13 -0.54 1.09 -1.25 -0.25 0.00 0.00 175.29 174.47 1aoe s PRO 160 N -4.95 2.06 0.45 2.91 0.04 -1.26 -4.64 135.00 129.61 1aoe s PRO 160 Ca 0.52 1.10 0.15 0.00 0.04 0.00 0.00 61.00 62.82 1aoe s PRO 160 Cb -0.11 -1.88 1.09 0.00 0.04 0.00 0.00 34.50 33.65 1aoe s PRO 160 CO 0.46 -1.76 1.99 -0.22 0.04 0.00 0.00 177.00 177.52 1aoe h LYS 161 N -1.21 0.32 -1.00 4.56 3.64 -1.97 -1.03 116.57 119.88 1aoe h LYS 161 Ca -0.45 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.04 1aoe h LYS 161 Cb 1.24 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.90 1aoe h LYS 161 CO 0.52 0.21 0.63 0.66 -2.27 0.00 0.00 179.45 179.20 1aoe h SER 162 N 0.33 0.92 -0.19 4.20 4.64 -1.99 0.96 113.55 122.41 1aoe h SER 162 Ca 0.25 0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.44 1aoe h SER 162 Cb 0.57 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1aoe h SER 162 CO -0.06 0.48 -0.56 -0.33 -0.87 0.00 0.00 176.83 175.48 1aoe h GLU 163 N 0.98 0.78 -0.32 4.77 4.39 -1.54 -2.24 114.58 121.40 1aoe h GLU 163 Ca 0.50 -0.51 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1aoe h GLU 163 Cb 0.52 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1aoe h GLU 163 CO -0.27 1.13 0.18 1.25 -1.16 0.00 0.00 179.01 180.14 1aoe h LEU 164 N 0.60 0.39 -0.70 1.33 5.85 -1.20 -1.85 115.31 119.73 1aoe h LEU 164 Ca 0.01 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.77 1aoe h LEU 164 Cb 1.16 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 1aoe h LEU 164 CO 0.12 0.35 0.29 -0.61 -0.34 0.00 0.00 178.44 178.26 1aoe h GLN 165 N 0.40 0.47 -0.53 1.25 5.75 -0.77 -0.90 115.11 120.77 1aoe h GLN 165 Ca 0.11 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1aoe h GLN 165 Cb 0.04 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1aoe h GLN 165 CO -0.02 0.31 0.12 0.87 -2.65 0.00 0.00 178.83 177.46 1aoe h LYS 166 N 0.48 0.82 -0.11 1.69 1.57 -1.20 -1.41 116.57 118.41 1aoe h LYS 166 Ca 0.36 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1aoe h LYS 166 Cb 0.47 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1aoe h LYS 166 CO -0.33 0.75 0.03 0.35 -0.57 0.00 0.00 179.45 179.67 1aoe h PHE 167 N 0.79 0.18 -0.00 -1.35 3.04 -0.39 -3.16 116.94 116.04 1aoe h PHE 167 Ca 0.17 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1aoe h PHE 167 Cb 0.30 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1aoe h PHE 167 CO 0.02 0.33 -0.13 1.33 -2.02 0.00 0.00 178.31 177.84 1aoe n VAL 168 N -4.88 0.00 0.00 1.41 0.24 -0.45 -5.02 118.33 109.63 1aoe n VAL 168 Ca -0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1aoe n VAL 168 Cb 0.15 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1aoe n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aoe n GLY 169 N 1.32 3.91 0.29 7.63 0.00 -0.54 -3.01 105.19 114.78 1aoe n GLY 169 Ca 0.13 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1aoe n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aoe h ASP 170 N 0.00 0.00 -2.56 1.61 3.32 -1.94 -3.45 116.42 113.40 1aoe h ASP 170 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1aoe h ASP 170 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 1aoe h ASP 170 CO 0.00 0.03 0.71 0.41 -1.72 0.00 0.00 179.24 178.67 1aoe n THR 171 N -3.83 0.57 -2.65 0.35 -1.04 -1.16 -4.94 114.28 101.58 1aoe n THR 171 Ca -0.03 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 1aoe n THR 171 Cb 0.12 -1.54 -0.03 0.00 -1.82 0.00 0.00 70.33 67.06 1aoe n THR 171 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1aoe s VAL 172 N 0.34 4.70 -0.40 12.58 1.01 -1.26 -5.01 120.40 132.36 1aoe s VAL 172 Ca 0.72 1.97 -0.02 0.00 0.00 0.00 0.00 61.98 64.64 1aoe s VAL 172 Cb -0.65 -4.26 0.11 0.00 0.00 0.00 0.00 36.38 31.58 1aoe s VAL 172 CO 0.45 0.02 0.19 -0.76 0.00 0.00 0.00 175.10 175.00 1aoe s LEU 173 N 1.91 5.20 0.48 3.92 1.43 -1.26 -5.08 118.68 125.28 1aoe s LEU 173 Ca 0.50 -2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 51.47 1aoe s LEU 173 Cb -0.20 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 1aoe s LEU 173 CO 0.20 -0.53 0.86 -1.61 0.23 0.00 0.00 176.35 175.50 1aoe s GLU 174 N 1.13 3.73 0.09 1.70 2.02 -1.26 -5.07 118.70 121.03 1aoe s GLU 174 Ca 0.08 0.55 0.03 0.00 0.02 0.00 0.00 54.97 55.66 1aoe s GLU 174 Cb -0.22 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 1aoe s GLU 174 CO -0.04 -0.22 0.09 -0.51 0.02 0.00 0.00 175.26 174.60 1aoe s ASP 175 N -3.54 5.53 -1.35 -0.19 1.01 -1.26 -4.69 116.67 112.18 1aoe s ASP 175 Ca 0.53 -0.03 -0.14 0.00 0.71 0.00 0.00 52.55 53.62 1aoe s ASP 175 Cb -0.10 -1.48 0.01 0.00 1.01 0.00 0.00 42.92 42.36 1aoe s ASP 175 CO 0.38 0.16 0.42 0.47 0.21 0.00 0.00 175.17 176.81 1aoe n ASP 176 N 0.33 -1.81 -4.72 0.27 8.00 -1.22 -4.87 116.55 112.52 1aoe n ASP 176 Ca -0.09 -1.19 -0.42 0.00 0.71 0.00 0.00 54.79 53.80 1aoe n ASP 176 Cb 0.52 -2.18 -0.03 0.00 -0.02 0.00 0.00 41.12 39.41 1aoe n ASP 176 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1aoe s ILE 177 N -3.89 3.28 -0.11 0.53 1.01 -0.37 -4.74 121.20 116.90 1aoe s ILE 177 Ca 0.23 0.95 0.01 0.00 0.00 0.00 0.00 60.65 61.83 1aoe s ILE 177 Cb -0.11 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 1aoe s ILE 177 CO 0.95 0.09 -0.14 -0.54 0.00 0.00 0.00 174.94 175.30 1aoe s LYS 178 N 0.81 3.15 -0.22 2.79 1.02 -1.26 -0.57 119.74 125.47 1aoe s LYS 178 Ca 0.63 -0.70 -0.04 0.00 0.02 0.00 0.00 55.97 55.87 1aoe s LYS 178 Cb -0.37 -2.55 0.08 0.00 -0.52 0.00 0.00 37.83 34.47 1aoe s LYS 178 CO 0.32 0.31 0.10 -1.21 -0.92 0.00 0.00 175.35 173.95 1aoe s GLU 179 N 0.10 0.18 7.48 1.68 2.02 -0.18 -5.02 118.70 124.96 1aoe s GLU 179 Ca -0.06 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1aoe s GLU 179 Cb -0.15 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.49 1aoe s GLU 179 CO 0.05 -0.82 0.00 0.41 0.02 0.00 0.00 175.26 174.92 1aoe n GLY 180 N 5.23 2.77 0.42 -1.39 0.00 -1.26 -1.62 105.19 109.34 1aoe n GLY 180 Ca -0.07 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1aoe n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aoe n ASP 181 N 6.39 1.47 -4.83 1.61 8.00 -1.26 -4.90 116.55 123.02 1aoe n ASP 181 Ca 0.00 -1.26 -0.37 0.00 0.71 0.00 0.00 54.79 53.87 1aoe n ASP 181 Cb 0.00 0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1aoe n ASP 181 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1aoe s PHE 182 N -2.29 3.71 -0.05 1.24 0.08 -0.64 -4.30 117.98 115.72 1aoe s PHE 182 Ca 0.29 1.08 0.04 0.00 0.12 0.00 0.00 56.93 58.45 1aoe s PHE 182 Cb 0.20 -2.36 -0.00 0.00 -0.57 0.00 0.00 43.02 40.29 1aoe s PHE 182 CO 0.44 0.56 -0.18 0.99 -0.10 0.00 0.00 175.22 176.94 1aoe s THR 183 N -1.23 1.48 0.06 0.64 2.01 -0.29 -1.01 115.64 117.30 1aoe s THR 183 Ca 0.30 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 1aoe s THR 183 Cb -0.17 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1aoe s THR 183 CO 0.17 0.43 0.06 -0.72 -0.69 0.00 0.00 174.62 173.86 1aoe s TYR 184 N 0.15 0.34 0.02 4.92 1.13 0.27 0.41 117.35 124.59 1aoe s TYR 184 Ca -0.07 -0.79 -0.00 0.00 -1.41 0.00 0.00 57.07 54.80 1aoe s TYR 184 Cb -0.13 -0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 40.47 1aoe s TYR 184 CO 0.03 -0.41 -0.02 -0.80 -2.51 0.00 0.00 175.55 171.84 1aoe s ASN 185 N -2.66 0.25 0.05 -0.18 -0.87 -0.90 -1.24 114.94 109.39 1aoe s ASN 185 Ca 0.03 -0.52 -0.12 0.00 -1.57 0.00 0.00 52.86 50.68 1aoe s ASN 185 Cb 0.04 0.11 -0.06 0.00 -0.02 0.00 0.00 41.25 41.32 1aoe s ASN 185 CO -0.09 -0.32 0.42 -0.31 -2.57 0.00 0.00 177.10 174.23 1aoe s TYR 186 N -1.60 3.64 0.06 2.20 2.02 -1.26 -0.55 117.35 121.86 1aoe s TYR 186 Ca -0.15 0.89 -0.02 0.00 -0.37 0.00 0.00 57.07 57.43 1aoe s TYR 186 Cb -0.09 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 1aoe s TYR 186 CO -0.01 0.56 0.01 0.95 -1.57 0.00 0.00 175.55 175.49 1aoe s THR 187 N -1.28 0.20 -0.03 -0.71 -4.23 -0.65 -4.95 115.64 103.99 1aoe s THR 187 Ca 0.30 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1aoe s THR 187 Cb -0.15 -1.53 -0.00 0.00 1.34 0.00 0.00 72.50 72.16 1aoe s THR 187 CO 0.16 -0.90 -0.14 -0.22 -0.54 0.00 0.00 174.62 172.97 1aoe s LEU 188 N -2.92 1.88 0.05 4.79 2.96 -1.26 -1.87 118.68 122.31 1aoe s LEU 188 Ca 0.08 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1aoe s LEU 188 Cb 0.07 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 1aoe s LEU 188 CO -0.09 0.13 -0.15 0.26 -1.32 0.00 0.00 176.35 175.17 1aoe s TRP 189 N 0.05 1.32 0.15 5.38 0.52 0.17 -0.43 118.94 126.10 1aoe s TRP 189 Ca -0.03 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.74 1aoe s TRP 189 Cb -0.10 -0.77 -0.05 0.00 -1.15 0.00 0.00 33.47 31.40 1aoe s TRP 189 CO 0.01 0.06 -0.06 0.95 0.02 0.00 0.00 176.95 177.93 1aoe s THR 190 N -0.97 0.95 0.34 2.01 -4.23 0.02 -1.56 115.64 112.21 1aoe s THR 190 Ca 0.02 -2.02 -0.27 0.00 -1.18 0.00 0.00 61.69 58.25 1aoe s THR 190 Cb -0.09 -1.94 -0.09 0.00 1.34 0.00 0.00 72.50 71.73 1aoe s THR 190 CO 0.02 -0.66 1.08 -0.13 -0.54 0.00 0.00 174.62 174.38 1aoe s ARG 191 N -3.81 4.37 0.00 3.99 0.52 -1.26 0.43 118.95 123.19 1aoe s ARG 191 Ca 0.19 1.66 0.22 0.00 -0.52 0.00 0.00 55.73 57.27 1aoe s ARG 191 Cb 0.04 -2.84 1.29 0.00 0.52 0.00 0.00 34.95 33.96 1aoe s ARG 191 CO 0.01 0.01 1.67 0.36 0.02 0.00 0.00 175.30 177.37