#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 4.52 0.05 -0.89 1.43 -1.26 -5.04 118.68 117.49 1aoe s LEU 2 Ca 0.00 2.13 0.04 0.00 -1.03 0.00 0.00 54.13 55.27 1aoe s LEU 2 Cb 0.00 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1aoe s LEU 2 CO 0.00 -0.10 -0.12 -0.54 0.23 0.00 0.00 176.35 175.83 1aoe s LYS 3 N -1.53 0.74 0.75 1.70 1.02 -1.26 -5.15 119.74 116.00 1aoe s LYS 3 Ca 0.45 -0.82 -0.11 0.00 0.02 0.00 0.00 55.97 55.51 1aoe s LYS 3 Cb -0.28 -0.67 0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1aoe s LYS 3 CO 0.36 0.15 1.08 -1.25 -0.92 0.00 0.00 175.35 174.77 1aoe s PRO 4 N -1.50 2.50 -0.39 -1.68 0.04 -1.26 -5.01 135.00 127.69 1aoe s PRO 4 Ca -0.03 0.83 -0.11 0.00 0.04 0.00 0.00 61.00 61.72 1aoe s PRO 4 Cb -0.09 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1aoe s PRO 4 CO 0.01 -1.38 0.23 1.21 0.04 0.00 0.00 177.00 177.11 1aoe s ASN 5 N -3.81 5.74 -0.02 6.66 2.47 -1.26 -4.99 114.94 119.73 1aoe s ASN 5 Ca 0.59 -1.12 0.07 0.00 0.42 0.00 0.00 52.86 52.83 1aoe s ASN 5 Cb -0.14 -2.03 -0.02 0.00 -1.45 0.00 0.00 41.25 37.61 1aoe s ASN 5 CO 0.55 -0.43 -0.25 -0.69 -3.72 0.00 0.00 177.10 172.56 1aoe s VAL 6 N 1.53 1.95 0.03 -5.21 1.01 -1.25 -0.42 120.40 118.04 1aoe s VAL 6 Ca 0.02 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 1aoe s VAL 6 Cb -0.20 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1aoe s VAL 6 CO 0.06 0.55 -0.03 0.00 0.00 0.00 0.00 175.10 175.68 1aoe s ALA 7 N -0.51 0.19 -0.10 5.51 0.00 -0.53 -1.66 121.76 124.66 1aoe s ALA 7 Ca 0.08 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 1aoe s ALA 7 Cb -0.10 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1aoe s ALA 7 CO -0.00 -0.19 0.24 0.42 0.00 0.00 0.00 175.76 176.23 1aoe s ILE 8 N -1.81 5.33 -0.05 0.00 1.01 -0.74 -0.29 121.20 124.64 1aoe s ILE 8 Ca -0.12 0.44 0.03 0.00 0.00 0.00 0.00 60.65 61.00 1aoe s ILE 8 Cb -0.07 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.87 1aoe s ILE 8 CO -0.02 0.55 -0.14 -0.51 0.00 0.00 0.00 174.94 174.82 1aoe s ILE 9 N -0.67 1.24 0.08 2.92 2.07 -0.67 -0.17 121.20 125.99 1aoe s ILE 9 Ca 0.17 -0.57 -0.20 0.00 -1.41 0.00 0.00 60.65 58.64 1aoe s ILE 9 Cb -0.13 -1.10 0.05 0.00 0.13 0.00 0.00 42.46 41.41 1aoe s ILE 9 CO 0.06 0.37 0.47 0.54 -1.91 0.00 0.00 174.94 174.47 1aoe s VAL 10 N 0.36 0.04 -0.13 4.00 0.11 -0.54 -4.54 120.40 119.71 1aoe s VAL 10 Ca -0.09 -0.35 0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1aoe s VAL 10 Cb -0.13 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 1aoe s VAL 10 CO 0.03 -0.19 -0.22 0.00 -3.33 0.00 0.00 175.10 171.39 1aoe s ALA 11 N -2.91 2.26 0.01 1.54 0.00 -1.26 -0.92 121.76 120.47 1aoe s ALA 11 Ca -0.03 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1aoe s ALA 11 Cb -0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 1aoe s ALA 11 CO -0.05 0.02 -0.04 0.00 0.00 0.00 0.00 175.76 175.69 1aoe s ALA 12 N 0.74 0.29 -0.20 0.00 0.00 -0.41 -4.69 121.76 117.49 1aoe s ALA 12 Ca -0.09 -0.38 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 1aoe s ALA 12 Cb -0.16 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1aoe s ALA 12 CO -0.00 -0.01 0.49 -1.17 0.00 0.00 0.00 175.76 175.08 1aoe s LEU 13 N -0.72 4.15 0.49 0.00 2.96 -0.69 -0.82 118.68 124.04 1aoe s LEU 13 Ca -0.05 0.64 -0.15 0.00 -0.22 0.00 0.00 54.13 54.35 1aoe s LEU 13 Cb -0.05 -2.67 -0.07 0.00 0.50 0.00 0.00 46.19 43.90 1aoe s LEU 13 CO -0.00 -0.16 0.93 -0.54 -1.32 0.00 0.00 176.35 175.27 1aoe s LYS 14 N 1.57 3.89 0.10 1.98 1.02 0.04 0.35 119.74 128.68 1aoe s LYS 14 Ca 0.23 0.82 0.24 0.00 0.02 0.00 0.00 55.97 57.29 1aoe s LYS 14 Cb -0.15 -2.20 0.41 0.00 -0.52 0.00 0.00 37.83 35.37 1aoe s LYS 14 CO 0.09 -0.23 1.36 -0.35 -0.92 0.00 0.00 175.35 175.31 1aoe n PRO 15 N -1.58 0.23 0.20 -1.68 -0.04 -1.26 -4.74 135.00 126.14 1aoe n PRO 15 Ca 0.05 0.07 0.14 0.00 -0.04 0.00 0.00 63.50 63.73 1aoe n PRO 15 Cb 0.54 -1.65 0.49 0.00 -0.04 0.00 0.00 33.50 32.84 1aoe n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aoe h ALA 16 N 2.61 1.00 -4.37 0.55 0.00 -1.98 -3.47 119.26 113.59 1aoe h ALA 16 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1aoe h ALA 16 Cb 0.70 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.59 1aoe h ALA 16 CO 0.00 0.00 -0.49 1.28 0.00 0.00 0.00 179.25 180.04 1aoe n LEU 17 N -2.75 -3.16 -4.76 0.00 4.77 0.16 -4.65 117.00 106.61 1aoe n LEU 17 Ca 0.02 -0.39 -0.40 0.00 -0.03 0.00 0.00 56.01 55.22 1aoe n LEU 17 Cb 0.35 -2.25 -0.05 0.00 -2.33 0.00 0.00 43.42 39.15 1aoe n LEU 17 CO 0.27 0.36 0.74 -0.83 -1.33 0.00 0.00 177.39 176.60 1aoe s GLY 18 N -3.55 3.05 0.00 -0.72 0.00 -1.02 -1.59 107.32 103.48 1aoe s GLY 18 Ca 0.21 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.72 1aoe s GLY 18 CO 0.49 1.37 0.18 0.29 0.00 0.00 0.00 173.10 175.43 1aoe n ILE 19 N 1.15 0.00 -3.62 0.90 -5.35 0.03 -1.71 119.36 110.76 1aoe n ILE 19 Ca -0.01 -0.30 -0.05 0.00 -0.27 0.00 0.00 62.75 62.11 1aoe n ILE 19 Cb 0.46 1.23 -0.02 0.00 -1.74 0.00 0.00 39.64 39.58 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 -0.25 -0.36 -0.21 3.28 0.00 -1.20 -4.57 107.32 104.02 1aoe s GLY 20 Ca 0.00 0.65 -0.08 0.00 0.00 0.00 0.00 44.72 45.29 1aoe s GLY 20 CO 0.00 0.19 0.45 -0.47 0.00 0.00 0.00 173.10 173.27 1aoe s TYR 21 N -3.11 -0.83 -1.50 1.90 5.04 0.74 -1.76 117.35 117.82 1aoe s TYR 21 Ca 0.09 1.59 -0.06 0.00 -2.44 0.00 0.00 57.07 56.25 1aoe s TYR 21 Cb -0.01 0.36 0.05 0.00 0.35 0.00 0.00 41.96 42.72 1aoe s TYR 21 CO -0.04 -0.48 0.56 1.63 -1.34 0.00 0.00 175.55 175.88 1aoe n LYS 22 N 5.16 -3.39 -0.98 4.97 4.01 -1.26 -1.26 118.16 125.41 1aoe n LYS 22 Ca -0.12 0.40 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 1aoe n LYS 22 Cb 0.51 -4.75 0.00 0.00 -0.51 0.00 0.00 35.03 30.28 1aoe n LYS 22 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aoe n GLY 23 N -1.80 0.47 3.39 0.72 0.00 -1.26 -5.00 105.19 101.71 1aoe n GLY 23 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 1aoe n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aoe s LYS 24 N -0.37 1.56 0.21 1.61 1.02 -0.39 -4.87 119.74 118.52 1aoe s LYS 24 Ca 0.00 -1.86 -0.22 0.00 0.02 0.00 0.00 55.97 53.90 1aoe s LYS 24 Cb 0.00 -0.57 -0.08 0.00 -0.52 0.00 0.00 37.83 36.66 1aoe s LYS 24 CO 0.00 -0.26 0.76 -1.64 -0.92 0.00 0.00 175.35 173.29 1aoe s MET 25 N -3.94 4.38 0.00 1.68 -1.94 -1.26 -0.19 119.30 118.03 1aoe s MET 25 Ca 0.36 1.01 0.19 0.00 -1.71 0.00 0.00 55.69 55.54 1aoe s MET 25 Cb 0.08 -2.99 1.16 0.00 2.01 0.00 0.00 34.83 35.09 1aoe s MET 25 CO 0.15 0.44 1.63 -0.35 -0.01 0.00 0.00 175.02 176.88 1aoe n PRO 26 N 0.99 0.81 -3.92 2.03 -0.05 -1.26 -4.83 135.00 128.77 1aoe n PRO 26 Ca -0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 63.50 63.33 1aoe n PRO 26 Cb 0.50 -1.37 -0.07 0.00 -0.05 0.00 0.00 33.50 32.51 1aoe n PRO 26 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 175.50 177.12 1aoe s TRP 27 N -2.00 0.31 -0.34 0.54 -2.14 -1.26 -4.98 118.94 109.06 1aoe s TRP 27 Ca 0.29 -0.69 0.01 0.00 2.66 0.00 0.00 56.10 58.37 1aoe s TRP 27 Cb 0.13 -0.05 0.11 0.00 -3.10 0.00 0.00 33.47 30.56 1aoe s TRP 27 CO 0.22 -0.67 0.12 0.50 -2.66 0.00 0.00 176.95 174.46 1aoe s ARG 28 N -3.93 0.99 -0.32 3.25 3.52 -1.26 -5.08 118.95 116.12 1aoe s ARG 28 Ca 0.13 -1.43 -0.04 0.00 -0.13 0.00 0.00 55.73 54.25 1aoe s ARG 28 Cb 0.04 -2.32 0.04 0.00 -1.56 0.00 0.00 34.95 31.14 1aoe s ARG 28 CO -0.04 -1.01 0.05 -0.51 -0.81 0.00 0.00 175.30 172.99 1aoe s LEU 29 N 1.21 4.08 0.12 -0.88 1.43 -1.26 -5.01 118.68 118.38 1aoe s LEU 29 Ca 0.12 -1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 51.86 1aoe s LEU 29 Cb -0.19 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 1aoe s LEU 29 CO -0.17 -0.29 1.76 0.03 0.23 0.00 0.00 176.35 177.92 1aoe h ARG 30 N 8.12 0.30 -0.26 1.70 3.08 -2.00 -2.01 114.38 123.30 1aoe h ARG 30 Ca -0.23 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.65 1aoe h ARG 30 Cb 1.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1aoe h ARG 30 CO 0.57 0.21 -0.44 0.87 -1.07 0.00 0.00 179.97 180.11 1aoe h LYS 31 N 0.29 0.66 -0.55 0.04 1.57 -1.99 -2.94 116.57 113.65 1aoe h LYS 31 Ca 0.08 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1aoe h LYS 31 Cb -0.01 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1aoe h LYS 31 CO -0.02 0.97 0.30 1.49 -0.57 0.00 0.00 179.45 181.63 1aoe h GLU 32 N 0.53 0.77 -0.62 3.15 4.22 -1.95 -0.67 114.58 120.01 1aoe h GLU 32 Ca 0.04 -0.09 -0.04 0.00 0.08 0.00 0.00 59.36 59.35 1aoe h GLU 32 Cb 0.98 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1aoe h GLU 32 CO 0.09 0.59 0.23 0.82 -2.18 0.00 0.00 179.01 178.56 1aoe h ILE 33 N 0.74 1.22 -0.36 2.32 2.04 -1.33 -0.52 117.51 121.63 1aoe h ILE 33 Ca 0.19 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 1aoe h ILE 33 Cb 0.05 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1aoe h ILE 33 CO -0.03 0.28 0.02 -0.09 0.00 0.00 0.00 178.15 178.34 1aoe h ARG 34 N 0.89 0.61 -0.30 2.37 9.65 -1.27 -1.03 114.38 125.31 1aoe h ARG 34 Ca 0.21 -0.18 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1aoe h ARG 34 Cb 0.20 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1aoe h ARG 34 CO -0.02 0.71 0.17 -0.92 2.80 0.00 0.00 179.97 182.72 1aoe h TYR 35 N 0.43 0.32 -0.13 2.20 3.20 -0.78 0.62 116.97 122.84 1aoe h TYR 35 Ca 0.10 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1aoe h TYR 35 Cb 0.42 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1aoe h TYR 35 CO 0.03 0.19 -0.11 0.35 -1.64 0.00 0.00 178.16 176.98 1aoe h PHE 36 N 0.36 -0.27 0.02 -3.82 3.57 -0.93 0.03 116.94 115.90 1aoe h PHE 36 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1aoe h PHE 36 Cb 0.00 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1aoe h PHE 36 CO -0.08 -0.17 -0.16 -0.22 -2.23 0.00 0.00 178.31 175.45 1aoe h LYS 37 N -0.13 -0.27 -0.26 1.11 3.64 -1.00 -1.94 116.57 117.72 1aoe h LYS 37 Ca 0.09 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1aoe h LYS 37 Cb 0.25 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1aoe h LYS 37 CO -0.21 -0.18 0.04 -0.44 -2.27 0.00 0.00 179.45 176.39 1aoe h ASP 38 N -0.28 -0.01 -0.39 4.20 3.32 -0.56 -1.87 116.42 120.82 1aoe h ASP 38 Ca 0.05 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 1aoe h ASP 38 Cb 0.34 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1aoe h ASP 38 CO -0.14 0.03 -0.35 0.58 -1.72 0.00 0.00 179.24 177.63 1aoe h VAL 39 N 0.13 1.27 0.00 -1.35 2.07 -1.01 -1.35 116.25 116.02 1aoe h VAL 39 Ca 0.12 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1aoe h VAL 39 Cb 0.13 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1aoe h VAL 39 CO -0.17 0.51 0.00 0.71 0.02 0.00 0.00 177.57 178.64 1aoe h THR 40 N 0.74 0.00 0.04 2.57 1.35 -1.29 -3.28 112.91 113.04 1aoe h THR 40 Ca 0.07 -0.69 -0.35 0.00 -0.55 0.00 0.00 66.41 64.89 1aoe h THR 40 Cb 0.95 1.67 -0.05 0.00 -1.73 0.00 0.00 68.15 68.99 1aoe h THR 40 CO 0.09 0.00 -2.06 0.41 -0.25 0.00 0.00 175.52 173.71 1aoe n THR 41 N -2.95 1.60 -1.90 6.82 -1.04 -0.71 -4.57 114.28 111.52 1aoe n THR 41 Ca 0.03 -0.73 -0.41 0.00 -2.04 0.00 0.00 64.05 60.89 1aoe n THR 41 Cb 0.40 -1.19 -0.02 0.00 -1.82 0.00 0.00 70.33 67.71 1aoe n THR 41 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1aoe s ARG 42 N -2.55 4.19 0.30 -2.82 3.52 -0.52 -4.68 118.95 116.40 1aoe s ARG 42 Ca -0.16 2.44 0.06 0.00 -0.13 0.00 0.00 55.73 57.94 1aoe s ARG 42 Cb 0.07 -3.06 -0.06 0.00 -1.56 0.00 0.00 34.95 30.35 1aoe s ARG 42 CO 0.77 -0.51 -0.02 0.95 -0.81 0.00 0.00 175.30 175.69 1aoe s THR 43 N -0.20 1.52 -0.29 4.11 -4.23 -1.26 -4.90 115.64 110.39 1aoe s THR 43 Ca 0.60 -2.08 0.19 0.00 -1.18 0.00 0.00 61.69 59.22 1aoe s THR 43 Cb -0.45 -2.57 0.19 0.00 1.34 0.00 0.00 72.50 71.01 1aoe s THR 43 CO 0.48 -0.20 1.50 0.71 -0.54 0.00 0.00 174.62 176.56 1aoe h THR 44 N 2.21 0.43 -4.03 3.99 1.35 -1.96 -3.46 112.91 111.44 1aoe h THR 44 Ca -0.40 -1.61 -0.18 0.00 -0.55 0.00 0.00 66.41 63.67 1aoe h THR 44 Cb 1.24 2.19 -0.17 0.00 -1.73 0.00 0.00 68.15 69.68 1aoe h THR 44 CO 0.69 0.24 -0.70 -1.59 -0.25 0.00 0.00 175.52 173.91 1aoe s LYS 45 N -3.09 0.62 0.81 4.72 -2.85 -1.26 -5.15 119.74 113.54 1aoe s LYS 45 Ca 0.05 -1.09 -0.11 0.00 -1.00 0.00 0.00 55.97 53.83 1aoe s LYS 45 Cb 0.06 -0.01 0.08 0.00 -2.06 0.00 0.00 37.83 35.91 1aoe s LYS 45 CO 0.71 -0.05 1.10 -2.14 0.10 0.00 0.00 175.35 175.07 1aoe s PRO 46 N -3.15 1.93 -1.53 1.78 0.02 -1.26 -3.62 135.00 129.18 1aoe s PRO 46 Ca 0.02 1.16 -0.06 0.00 0.02 0.00 0.00 61.00 62.14 1aoe s PRO 46 Cb 0.02 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.69 1aoe s PRO 46 CO -0.05 -1.87 0.67 0.09 -0.33 0.00 0.00 177.00 175.51 1aoe n ASN 47 N -3.67 -6.01 -4.26 2.53 3.02 -1.26 -5.01 115.26 100.60 1aoe n ASN 47 Ca 0.09 -0.33 -0.14 0.00 -0.03 0.00 0.00 54.58 54.17 1aoe n ASN 47 Cb 0.53 -4.85 -0.10 0.00 -0.61 0.00 0.00 39.78 34.75 1aoe n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1aoe s THR 48 N -3.18 0.70 0.21 3.41 -4.23 -1.24 -5.18 115.64 106.13 1aoe s THR 48 Ca 0.35 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.74 1aoe s THR 48 Cb -0.16 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1aoe s THR 48 CO 0.43 -0.38 0.43 0.00 -0.54 0.00 0.00 174.62 174.56 1aoe s ARG 49 N -3.93 1.38 0.44 3.99 1.70 -1.26 -4.88 118.95 116.39 1aoe s ARG 49 Ca 0.27 -1.11 0.08 0.00 -0.47 0.00 0.00 55.73 54.49 1aoe s ARG 49 Cb 0.06 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.89 1aoe s ARG 49 CO 0.06 -0.56 0.41 -0.80 -1.08 0.00 0.00 175.30 173.33 1aoe s ASN 50 N -2.96 5.02 0.16 -2.89 0.01 -1.26 -1.08 114.94 111.93 1aoe s ASN 50 Ca 0.17 -0.81 0.09 0.00 -0.71 0.00 0.00 52.86 51.60 1aoe s ASN 50 Cb 0.00 -0.40 -0.04 0.00 0.41 0.00 0.00 41.25 41.22 1aoe s ASN 50 CO 0.03 -0.75 -0.13 0.00 -1.51 0.00 0.00 177.10 174.73 1aoe s ALA 51 N -2.52 2.84 -0.09 0.60 0.00 -0.54 -0.91 121.76 121.15 1aoe s ALA 51 Ca 0.47 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 51.03 1aoe s ALA 51 Cb -0.03 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.40 1aoe s ALA 51 CO 0.28 0.52 -0.19 0.14 0.00 0.00 0.00 175.76 176.50 1aoe s VAL 52 N -1.50 1.70 -0.11 0.00 -7.23 0.09 -0.83 120.40 112.52 1aoe s VAL 52 Ca 0.22 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1aoe s VAL 52 Cb -0.09 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1aoe s VAL 52 CO 0.13 0.48 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.69 1aoe s ILE 53 N 0.49 3.56 0.08 -0.62 1.01 0.22 -1.21 121.20 124.73 1aoe s ILE 53 Ca -0.17 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 1aoe s ILE 53 Cb -0.17 -2.49 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 1aoe s ILE 53 CO 0.07 0.55 0.19 0.00 0.00 0.00 0.00 174.94 175.74 1aoe s MET 54 N -0.16 0.81 0.68 2.79 0.23 -0.22 -1.29 119.30 122.14 1aoe s MET 54 Ca 0.01 -0.88 -0.10 0.00 -1.03 0.00 0.00 55.69 53.69 1aoe s MET 54 Cb -0.13 0.33 0.01 0.00 -1.53 0.00 0.00 34.83 33.51 1aoe s MET 54 CO 0.03 -0.25 1.05 0.20 -2.03 0.00 0.00 175.02 174.02 1aoe s GLY 55 N -2.68 1.62 0.26 3.16 0.00 -0.22 -1.45 107.32 108.00 1aoe s GLY 55 Ca 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 44.72 44.31 1aoe s GLY 55 CO -0.09 -0.04 1.90 -0.09 0.00 0.00 0.00 173.10 174.78 1aoe h ARG 56 N -0.54 1.21 -0.73 2.90 2.43 -1.68 -2.26 114.38 115.72 1aoe h ARG 56 Ca -0.45 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1aoe h ARG 56 Cb 1.25 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 1aoe h ARG 56 CO 0.63 0.85 0.45 0.87 -1.51 0.00 0.00 179.97 181.26 1aoe h LYS 57 N 1.23 0.98 -0.43 0.20 1.57 -1.93 -0.86 116.57 117.32 1aoe h LYS 57 Ca 0.32 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1aoe h LYS 57 Cb -0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1aoe h LYS 57 CO -0.06 0.68 -0.04 1.15 -0.57 0.00 0.00 179.45 180.61 1aoe h THR 58 N 0.99 1.27 -0.59 -0.16 2.02 -1.82 -2.39 112.91 112.23 1aoe h THR 58 Ca 0.26 -1.10 0.05 0.00 0.77 0.00 0.00 66.41 66.40 1aoe h THR 58 Cb -0.06 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1aoe h THR 58 CO -0.05 0.38 0.31 -0.25 0.37 0.00 0.00 175.52 176.28 1aoe h TRP 59 N 0.62 0.57 0.00 3.16 2.91 -1.10 -2.15 115.95 119.96 1aoe h TRP 59 Ca 0.12 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.13 1aoe h TRP 59 Cb 0.55 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1aoe h TRP 59 CO 0.04 0.27 -0.13 0.93 -1.03 0.00 0.00 178.44 178.52 1aoe h GLU 60 N 0.59 0.00 0.00 2.65 5.08 -1.01 -2.05 114.58 119.84 1aoe h GLU 60 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1aoe h GLU 60 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1aoe h GLU 60 CO -0.18 0.13 0.00 0.66 -1.00 0.00 0.00 179.01 178.63 1aoe h SER 61 N 0.00 0.00 -3.36 1.42 4.64 -0.86 -3.43 113.55 111.96 1aoe h SER 61 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1aoe h SER 61 Cb 0.43 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.46 1aoe h SER 61 CO 0.02 0.00 0.08 -0.63 -0.87 0.00 0.00 176.83 175.43 1aoe s ILE 62 N -3.32 5.05 0.29 0.95 1.01 -0.77 -5.03 121.20 119.39 1aoe s ILE 62 Ca 0.06 1.32 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 1aoe s ILE 62 Cb 0.10 -3.99 -0.13 0.00 0.01 0.00 0.00 42.46 38.45 1aoe s ILE 62 CO 0.50 0.21 1.40 -2.65 0.00 0.00 0.00 174.94 174.41 1aoe n PRO 63 N 4.18 2.23 -0.30 2.79 -0.02 -1.26 -4.84 135.00 137.78 1aoe n PRO 63 Ca -0.02 0.79 0.28 0.00 -2.02 0.00 0.00 63.50 62.53 1aoe n PRO 63 Cb 0.51 -2.44 0.63 0.00 -0.02 0.00 0.00 33.50 32.17 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 3.65 0.19 0.00 -0.52 3.07 -1.93 0.53 115.11 120.10 1aoe h GLN 64 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1aoe h GLN 64 Cb 1.27 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1aoe h GLN 64 CO 0.71 0.13 0.00 0.36 0.09 0.00 0.00 178.83 180.12 1aoe n LYS 65 N -4.41 0.15 -0.33 0.06 0.00 -1.26 -3.21 118.16 109.16 1aoe n LYS 65 Ca 0.24 0.18 0.09 0.00 -0.00 0.00 0.00 58.31 58.82 1aoe n LYS 65 Cb 1.01 -1.69 0.26 0.00 -0.00 0.00 0.00 35.03 34.61 1aoe n LYS 65 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1aoe n PHE 66 N -1.96 0.85 -4.41 5.58 3.72 0.17 -4.93 117.46 116.48 1aoe n PHE 66 Ca 0.05 -0.53 -0.26 0.00 -0.05 0.00 0.00 57.45 56.67 1aoe n PHE 66 Cb 0.35 -0.05 -0.13 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.16 1.28 0.78 -1.08 1.70 -1.20 -4.13 118.95 115.14 1aoe s ARG 67 Ca 0.40 -1.17 -0.11 0.00 -0.47 0.00 0.00 55.73 54.38 1aoe s ARG 67 Cb 0.22 -1.57 0.06 0.00 -0.57 0.00 0.00 34.95 33.09 1aoe s ARG 67 CO 0.25 0.38 1.08 -1.25 -1.08 0.00 0.00 175.30 174.68 1aoe s PRO 68 N -1.78 2.20 0.12 3.89 0.04 -1.26 -4.97 135.00 133.24 1aoe s PRO 68 Ca 0.09 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 61.82 1aoe s PRO 68 Cb -0.10 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1aoe s PRO 68 CO 0.04 -1.63 1.76 -0.51 0.04 0.00 0.00 177.00 176.70 1aoe s LEU 69 N -5.88 4.39 0.60 -3.56 1.43 -1.26 -4.91 118.68 109.49 1aoe s LEU 69 Ca 0.61 2.70 -0.18 0.00 -1.03 0.00 0.00 54.13 56.23 1aoe s LEU 69 Cb -0.16 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1aoe s LEU 69 CO 0.56 -0.97 1.20 -2.16 0.23 0.00 0.00 176.35 175.21 1aoe s PRO 70 N 2.45 2.96 -0.31 1.29 0.04 -1.26 -3.52 135.00 136.64 1aoe s PRO 70 Ca 0.78 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1aoe s PRO 70 Cb -0.45 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1aoe s PRO 70 CO 0.35 -1.21 0.00 -0.25 0.04 0.00 0.00 177.00 175.93 1aoe n ASP 71 N -1.66 -4.90 -4.06 6.66 8.00 -1.26 -4.97 116.55 114.35 1aoe n ASP 71 Ca 0.13 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.60 1aoe n ASP 71 Cb 0.50 -2.66 -0.11 0.00 -0.02 0.00 0.00 41.12 38.83 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 -1.70 0.54 0.05 -1.24 0.52 -1.23 -4.48 118.95 111.41 1aoe s ARG 72 Ca 0.00 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 1aoe s ARG 72 Cb 0.00 -0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.30 1aoe s ARG 72 CO 0.00 -0.01 1.10 -1.17 0.02 0.00 0.00 175.30 175.24 1aoe s LEU 73 N -1.97 4.39 -0.22 2.53 2.96 -0.09 -4.83 118.68 121.45 1aoe s LEU 73 Ca -0.06 1.88 -0.07 0.00 -0.22 0.00 0.00 54.13 55.67 1aoe s LEU 73 Cb -0.05 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 1aoe s LEU 73 CO -0.02 -0.35 0.06 0.20 -1.32 0.00 0.00 176.35 174.92 1aoe s ASN 74 N 0.89 5.30 -0.14 3.68 0.02 0.17 -0.73 114.94 124.13 1aoe s ASN 74 Ca 0.55 -0.10 0.02 0.00 -1.02 0.00 0.00 52.86 52.30 1aoe s ASN 74 Cb -0.26 -1.93 0.00 0.00 0.02 0.00 0.00 41.25 39.08 1aoe s ASN 74 CO 0.29 0.05 -0.19 -0.63 0.02 0.00 0.00 177.10 176.64 1aoe s ILE 75 N 1.13 2.36 -0.07 0.60 1.01 -0.35 -1.17 121.20 124.71 1aoe s ILE 75 Ca 0.04 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.86 1aoe s ILE 75 Cb -0.14 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 1aoe s ILE 75 CO 0.03 0.54 -0.23 -0.63 0.00 0.00 0.00 174.94 174.65 1aoe s ILE 76 N 0.71 1.92 -0.17 2.92 1.09 -0.48 -1.06 121.20 126.14 1aoe s ILE 76 Ca -0.08 -0.97 -0.10 0.00 -1.10 0.00 0.00 60.65 58.39 1aoe s ILE 76 Cb -0.16 -1.65 -0.05 0.00 -1.06 0.00 0.00 42.46 39.55 1aoe s ILE 76 CO 0.01 0.53 0.18 -0.76 -0.10 0.00 0.00 174.94 174.80 1aoe s LEU 77 N 0.11 4.26 -0.13 2.97 1.43 -0.53 -1.12 118.68 125.67 1aoe s LEU 77 Ca -0.10 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 1aoe s LEU 77 Cb -0.15 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 43.94 1aoe s LEU 77 CO 0.06 0.21 0.34 -0.55 0.23 0.00 0.00 176.35 176.63 1aoe s SER 78 N 0.10 -0.36 0.00 2.29 0.15 -0.89 -1.66 113.70 113.33 1aoe s SER 78 Ca 0.12 0.69 0.14 0.00 0.70 0.00 0.00 55.95 57.59 1aoe s SER 78 Cb -0.12 0.69 0.61 0.00 -1.71 0.00 0.00 66.02 65.49 1aoe s SER 78 CO 0.01 -0.12 1.45 0.54 1.20 0.00 0.00 173.24 176.31 1aoe n ARG 79 N 3.01 0.01 0.00 5.44 1.74 -1.26 -2.18 116.66 123.41 1aoe n ARG 79 Ca -0.14 0.25 0.12 0.00 -0.77 0.00 0.00 57.85 57.31 1aoe n ARG 79 Cb 0.57 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.66 1aoe n ARG 79 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1aoe n SER 80 N -1.49 1.25 -4.91 0.55 7.64 -1.26 -4.96 113.62 110.43 1aoe n SER 80 Ca 0.04 -1.00 -0.27 0.00 1.01 0.00 0.00 58.87 58.65 1aoe n SER 80 Cb 0.16 0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1aoe n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1aoe s TYR 81 N -2.67 3.56 0.01 1.43 2.02 -0.93 -5.08 117.35 115.68 1aoe s TYR 81 Ca 0.17 0.80 -0.00 0.00 -0.37 0.00 0.00 57.07 57.67 1aoe s TYR 81 Cb 0.18 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 1aoe s TYR 81 CO 0.63 -0.27 0.10 -1.21 -1.57 0.00 0.00 175.55 173.23 1aoe s GLU 82 N -4.73 3.10 0.06 -0.62 0.41 -1.26 -4.38 118.70 111.28 1aoe s GLU 82 Ca 0.47 -0.49 -0.30 0.00 -0.41 0.00 0.00 54.97 54.24 1aoe s GLU 82 Cb -0.10 -2.88 -0.09 0.00 -1.78 0.00 0.00 34.13 29.28 1aoe s GLU 82 CO 0.45 0.64 1.88 -0.80 -0.49 0.00 0.00 175.26 176.93 1aoe s ASN 83 N -1.87 6.47 -0.18 -0.19 0.02 -1.26 -4.56 114.94 113.36 1aoe s ASN 83 Ca 0.25 2.66 -0.14 0.00 -1.02 0.00 0.00 52.86 54.60 1aoe s ASN 83 Cb -0.12 -2.54 0.05 0.00 0.02 0.00 0.00 41.25 38.66 1aoe s ASN 83 CO 0.16 -1.02 0.48 -0.70 0.02 0.00 0.00 177.10 176.04 1aoe s GLU 84 N 3.72 0.52 -0.45 -0.60 2.12 -0.41 -5.00 118.70 118.60 1aoe s GLU 84 Ca 0.84 0.75 -0.21 0.00 0.36 0.00 0.00 54.97 56.70 1aoe s GLU 84 Cb -0.43 0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.16 1aoe s GLU 84 CO 0.38 -0.10 0.70 0.42 -0.54 0.00 0.00 175.26 176.12 1aoe s ILE 85 N 0.72 4.76 -0.03 -3.70 1.01 -1.26 -0.53 121.20 122.17 1aoe s ILE 85 Ca -0.04 0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.58 1aoe s ILE 85 Cb -0.05 -4.27 -0.11 0.00 0.01 0.00 0.00 42.46 38.04 1aoe s ILE 85 CO -0.05 -0.68 0.75 0.40 0.00 0.00 0.00 174.94 175.36 1aoe h ILE 86 N 5.91 0.21 -1.65 2.92 2.04 -1.55 -3.49 117.51 121.89 1aoe h ILE 86 Ca -0.25 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1aoe h ILE 86 Cb 1.09 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1aoe h ILE 86 CO 0.93 0.05 0.00 -0.90 0.00 0.00 0.00 178.15 178.23 1aoe n ASP 87 N -5.12 0.00 0.28 1.72 5.68 -1.07 -4.99 116.55 113.04 1aoe n ASP 87 Ca -0.08 -0.65 0.15 0.00 -0.50 0.00 0.00 54.79 53.71 1aoe n ASP 87 Cb 0.24 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.05 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 -2.99 116.42 113.86 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 0.07 -0.82 0.59 -2.88 0.00 0.00 179.24 176.20 1aoe n ASN 89 N -3.51 0.79 -3.92 2.28 5.03 -1.26 -4.89 115.26 109.78 1aoe n ASN 89 Ca -0.02 -0.77 -0.19 0.00 0.87 0.00 0.00 54.58 54.47 1aoe n ASN 89 Cb 0.20 1.08 -0.16 0.00 -1.02 0.00 0.00 39.78 39.87 1aoe n ASN 89 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1aoe s ILE 90 N -2.50 0.55 0.01 2.41 1.01 -1.13 -0.65 121.20 120.89 1aoe s ILE 90 Ca 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.55 1aoe s ILE 90 Cb 0.11 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 42.02 1aoe s ILE 90 CO 0.63 0.21 -0.09 -0.63 0.00 0.00 0.00 174.94 175.06 1aoe s ILE 91 N 0.66 0.69 -0.13 2.92 1.01 -0.32 -1.25 121.20 124.79 1aoe s ILE 91 Ca -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1aoe s ILE 91 Cb -0.12 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1aoe s ILE 91 CO 0.00 0.08 0.01 -1.00 0.00 0.00 0.00 174.94 174.04 1aoe s HIS 92 N -0.44 3.17 0.02 3.97 3.76 0.31 -1.37 115.29 124.70 1aoe s HIS 92 Ca 0.01 0.06 0.06 0.00 -0.15 0.00 0.00 55.06 55.04 1aoe s HIS 92 Cb -0.05 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 1aoe s HIS 92 CO 0.00 0.29 -0.18 0.00 -0.85 0.00 0.00 174.74 174.00 1aoe s ALA 93 N -0.30 1.52 -1.69 -1.40 0.00 -0.27 -1.29 121.76 118.33 1aoe s ALA 93 Ca 0.07 -0.89 0.25 0.00 0.00 0.00 0.00 51.96 51.39 1aoe s ALA 93 Cb -0.12 -0.32 0.39 0.00 0.00 0.00 0.00 23.12 23.07 1aoe s ALA 93 CO 0.02 0.35 1.34 -1.13 0.00 0.00 0.00 175.76 176.33 1aoe n SER 94 N 2.20 1.28 -3.55 0.00 3.41 -1.26 -2.09 113.62 113.60 1aoe n SER 94 Ca -0.16 -1.03 -0.11 0.00 -0.26 0.00 0.00 58.87 57.31 1aoe n SER 94 Cb 0.54 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 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 -2.60 -0.41 0.16 4.04 1.04 -1.26 -4.57 113.70 110.10 1aoe s SER 95 Ca 0.19 -0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 1aoe s SER 95 Cb 0.18 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.91 1aoe s SER 95 CO 0.59 -0.97 1.78 0.40 0.98 0.00 0.00 173.24 176.01 1aoe h ILE 96 N 2.13 1.16 -0.90 -1.02 2.04 -2.00 -1.72 117.51 117.20 1aoe h ILE 96 Ca -0.32 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.20 1aoe h ILE 96 Cb 1.28 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 1aoe h ILE 96 CO 0.39 0.16 0.58 -0.33 0.00 0.00 0.00 178.15 178.95 1aoe h GLU 97 N 0.62 1.05 -0.53 2.37 3.07 -1.99 -1.83 114.58 117.35 1aoe h GLU 97 Ca 0.17 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.91 1aoe h GLU 97 Cb 0.03 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 1aoe h GLU 97 CO -0.03 0.70 0.14 0.77 -1.40 0.00 0.00 179.01 179.18 1aoe h SER 98 N 1.08 0.80 -0.98 1.42 0.02 -1.89 -3.02 113.55 110.99 1aoe h SER 98 Ca 0.38 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1aoe h SER 98 Cb 0.09 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.36 1aoe h SER 98 CO -0.15 0.82 0.64 0.77 -1.14 0.00 0.00 176.83 177.78 1aoe h SER 99 N 0.75 1.08 0.61 3.07 4.64 -0.50 0.23 113.55 123.42 1aoe h SER 99 Ca 0.17 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1aoe h SER 99 Cb 0.33 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1aoe h SER 99 CO 0.00 0.74 0.00 0.18 -0.87 0.00 0.00 176.83 176.88 1aoe n LEU 100 N -4.43 0.00 -0.89 5.97 4.77 -0.89 -2.32 117.00 119.20 1aoe n LEU 100 Ca 0.13 0.45 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 1aoe n LEU 100 Cb 0.09 -0.45 0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1aoe n LEU 100 CO 0.35 -0.15 0.59 0.59 -1.33 0.00 0.00 177.39 177.44 1aoe n ASN 101 N -1.45 2.85 -0.96 -1.43 5.03 0.04 -4.38 115.26 114.95 1aoe n ASN 101 Ca 0.06 -1.93 0.01 0.00 0.87 0.00 0.00 54.58 53.59 1aoe n ASN 101 Cb 0.21 0.03 0.21 0.00 -1.02 0.00 0.00 39.78 39.22 1aoe n ASN 101 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1aoe n LEU 102 N 1.20 3.85 -1.17 3.41 4.77 -0.98 -4.63 117.00 123.45 1aoe n LEU 102 Ca 0.13 -3.50 -0.01 0.00 -0.03 0.00 0.00 56.01 52.60 1aoe n LEU 102 Cb 0.57 -0.59 0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1aoe n LEU 102 CO 0.15 1.04 0.25 1.33 -1.33 0.00 0.00 177.39 178.84 1aoe n VAL 103 N -0.97 1.88 0.36 4.08 0.24 -1.26 -4.83 118.33 117.82 1aoe n VAL 103 Ca 0.28 -3.08 0.14 0.00 -2.04 0.00 0.00 64.34 59.64 1aoe n VAL 103 Cb 0.95 -0.14 0.55 0.00 -1.47 0.00 0.00 33.84 33.73 1aoe n VAL 103 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1aoe h SER 104 N 1.34 0.00 -0.39 -1.34 4.64 -1.91 -3.17 113.55 112.72 1aoe h SER 104 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1aoe h SER 104 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1aoe h SER 104 CO 0.19 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.62 1aoe n ASP 105 N -2.58 3.35 -4.69 4.97 9.92 -1.26 -5.01 116.55 121.25 1aoe n ASP 105 Ca 0.02 -1.95 -0.25 0.00 -0.53 0.00 0.00 54.79 52.07 1aoe n ASP 105 Cb 0.28 -0.25 -0.08 0.00 -0.64 0.00 0.00 41.12 40.42 1aoe n ASP 105 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1aoe s VAL 106 N -1.35 2.42 -0.07 2.53 -7.23 -1.20 -4.68 120.40 110.81 1aoe s VAL 106 Ca 0.36 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1aoe s VAL 106 Cb 0.21 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1aoe s VAL 106 CO 0.29 -0.08 -0.05 -0.08 -0.31 0.00 0.00 175.10 174.87 1aoe h GLU 107 N 1.61 0.00 -6.05 4.82 4.81 -1.44 -3.49 114.58 114.84 1aoe h GLU 107 Ca -0.43 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.20 1aoe h GLU 107 Cb 1.25 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.49 1aoe h GLU 107 CO 0.70 0.00 -0.73 1.03 -0.73 0.00 0.00 179.01 179.28 1aoe s ARG 108 N -1.51 1.69 -0.11 1.92 0.52 -1.26 -4.58 118.95 115.62 1aoe s ARG 108 Ca -0.04 -1.81 0.03 0.00 -0.52 0.00 0.00 55.73 53.39 1aoe s ARG 108 Cb 0.01 -1.68 0.01 0.00 0.52 0.00 0.00 34.95 33.81 1aoe s ARG 108 CO 0.06 0.25 -0.20 0.08 0.02 0.00 0.00 175.30 175.51 1aoe s VAL 109 N -2.60 1.81 -0.12 3.52 1.01 0.44 -1.46 120.40 123.01 1aoe s VAL 109 Ca 0.30 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1aoe s VAL 109 Cb -0.02 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1aoe s VAL 109 CO 0.15 0.50 -0.14 -0.36 0.00 0.00 0.00 175.10 175.25 1aoe s PHE 110 N 0.71 2.78 -0.29 5.22 0.08 -0.01 -1.45 117.98 125.03 1aoe s PHE 110 Ca -0.11 -0.63 -0.17 0.00 0.12 0.00 0.00 56.93 56.13 1aoe s PHE 110 Cb -0.16 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1aoe s PHE 110 CO 0.02 -0.19 0.48 0.42 -0.10 0.00 0.00 175.22 175.85 1aoe s ILE 111 N 0.26 5.07 -1.16 0.64 1.01 0.60 -0.61 121.20 127.01 1aoe s ILE 111 Ca -0.10 0.62 0.13 0.00 0.00 0.00 0.00 60.65 61.30 1aoe s ILE 111 Cb -0.16 -3.85 0.35 0.00 0.01 0.00 0.00 42.46 38.81 1aoe s ILE 111 CO 0.06 -0.01 1.27 2.30 0.00 0.00 0.00 174.94 178.56 1aoe n ILE 112 N 5.25 0.92 0.00 2.92 -5.35 -0.41 -1.67 119.36 121.01 1aoe n ILE 112 Ca -0.05 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 1aoe n ILE 112 Cb 0.50 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 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 0.72 2.20 0.00 3.28 0.00 -1.26 -4.97 105.19 105.16 1aoe n GLY 113 Ca 0.13 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.05 1.59 0.18 -0.02 0.00 -1.26 -1.06 105.19 103.57 1aoe n GLY 114 Ca 0.00 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.26 0.23 -0.33 4.61 0.00 -1.97 0.62 119.26 121.16 1aoe h ALA 115 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1aoe h ALA 115 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1aoe h ALA 115 CO 0.00 -0.47 0.16 1.49 0.00 0.00 0.00 179.25 180.43 1aoe h GLU 116 N -0.02 0.33 -0.23 0.00 4.81 -1.95 0.08 114.58 117.59 1aoe h GLU 116 Ca 0.19 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1aoe h GLU 116 Cb 0.31 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1aoe h GLU 116 CO -0.41 0.22 0.13 0.82 -0.73 0.00 0.00 179.01 179.03 1aoe h ILE 117 N 0.34 1.10 -0.61 2.32 1.08 -1.74 -1.34 117.51 118.65 1aoe h ILE 117 Ca 0.14 -0.26 0.08 0.00 -0.39 0.00 0.00 64.86 64.43 1aoe h ILE 117 Cb 0.06 0.86 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 1aoe h ILE 117 CO -0.10 0.10 0.27 1.88 -0.69 0.00 0.00 178.15 179.61 1aoe h TYR 118 N 0.27 0.48 0.00 1.37 0.05 -0.57 -1.25 116.97 117.33 1aoe h TYR 118 Ca 0.08 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 1aoe h TYR 118 Cb 0.04 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1aoe h TYR 118 CO -0.04 0.17 -0.21 -0.91 -1.05 0.00 0.00 178.16 176.12 1aoe h ASN 119 N 0.49 0.00 1.21 3.88 2.35 -0.70 -1.27 115.58 121.54 1aoe h ASN 119 Ca 0.30 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.91 1aoe h ASN 119 Cb 0.31 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1aoe h ASN 119 CO -0.26 0.21 -0.82 -0.33 -1.65 0.00 0.00 177.43 174.58 1aoe h GLU 120 N 0.00 0.00 0.00 0.81 5.08 -0.70 -3.37 114.58 116.40 1aoe h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aoe h GLU 120 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1aoe h GLU 120 CO 0.03 0.54 -1.55 1.28 -1.00 0.00 0.00 179.01 178.30 1aoe n LEU 121 N -3.17 0.36 0.01 1.33 4.77 -0.52 -4.53 117.00 115.26 1aoe n LEU 121 Ca -0.01 0.09 0.10 0.00 -0.03 0.00 0.00 56.01 56.15 1aoe n LEU 121 Cb 0.80 -0.03 0.53 0.00 -2.33 0.00 0.00 43.42 42.39 1aoe n LEU 121 CO 0.42 -0.05 1.16 -0.29 -1.33 0.00 0.00 177.39 177.31 1aoe h ILE 122 N 0.00 0.95 -0.30 -0.08 6.09 -1.42 -1.12 117.51 121.63 1aoe h ILE 122 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1aoe h ILE 122 Cb 0.96 0.59 0.00 0.00 0.47 0.00 0.00 36.82 38.84 1aoe h ILE 122 CO 0.00 0.06 0.00 0.59 -3.07 0.00 0.00 178.15 175.73 1aoe n ASN 123 N -4.47 2.50 -4.69 2.19 5.03 -1.26 -4.91 115.26 109.65 1aoe n ASN 123 Ca 0.06 -1.87 -0.42 0.00 0.87 0.00 0.00 54.58 53.22 1aoe n ASN 123 Cb 0.27 -0.19 -0.03 0.00 -1.02 0.00 0.00 39.78 38.81 1aoe n ASN 123 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1aoe s ASN 124 N -1.45 7.16 0.41 6.41 3.04 -0.42 -4.93 114.94 125.16 1aoe s ASN 124 Ca 0.35 1.64 0.28 0.00 0.04 0.00 0.00 52.86 55.16 1aoe s ASN 124 Cb 0.19 -2.56 1.50 0.00 -1.54 0.00 0.00 41.25 38.85 1aoe s ASN 124 CO 0.28 -0.52 1.86 0.77 -3.04 0.00 0.00 177.10 176.45 1aoe h SER 125 N 7.28 0.00 0.52 -4.21 4.64 -1.90 -0.91 113.55 118.96 1aoe h SER 125 Ca -0.31 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 1aoe h SER 125 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1aoe h SER 125 CO 0.87 0.00 -0.43 -0.07 -0.87 0.00 0.00 176.83 176.33 1aoe h LEU 126 N 0.00 0.00 -8.96 5.97 3.38 -1.93 -3.42 115.31 110.35 1aoe h LEU 126 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1aoe h LEU 126 Cb 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1aoe h LEU 126 CO 0.00 0.43 0.88 -0.69 0.09 0.00 0.00 178.44 179.15 1aoe s VAL 127 N -3.92 4.42 -0.48 1.22 1.01 -0.35 -3.94 120.40 118.35 1aoe s VAL 127 Ca -0.02 1.63 0.05 0.00 0.00 0.00 0.00 61.98 63.65 1aoe s VAL 127 Cb 0.13 -4.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1aoe s VAL 127 CO 0.72 -0.46 0.46 -1.54 0.00 0.00 0.00 175.10 174.28 1aoe n SER 128 N 7.01 0.88 -3.92 3.32 3.41 -0.66 -4.92 113.62 118.74 1aoe n SER 128 Ca 0.13 -0.94 -0.11 0.00 -0.26 0.00 0.00 58.87 57.69 1aoe n SER 128 Cb 0.47 0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 64.77 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 -0.95 0.13 -0.14 7.33 3.76 -1.24 -4.33 115.29 119.84 1aoe s HIS 129 Ca 0.04 -0.25 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 1aoe s HIS 129 Cb 0.04 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.64 1aoe s HIS 129 CO 0.14 -0.10 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.22 1aoe s LEU 130 N -0.75 2.25 -0.40 0.89 1.43 -0.72 -1.79 118.68 119.60 1aoe s LEU 130 Ca -0.08 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 1aoe s LEU 130 Cb -0.05 -1.49 0.08 0.00 0.03 0.00 0.00 46.19 44.76 1aoe s LEU 130 CO -0.00 0.09 0.20 -0.76 0.23 0.00 0.00 176.35 176.11 1aoe s LEU 131 N 0.75 4.97 -0.17 1.79 1.02 0.76 -0.73 118.68 127.07 1aoe s LEU 131 Ca -0.08 -1.61 -0.01 0.00 0.02 0.00 0.00 54.13 52.45 1aoe s LEU 131 Cb -0.16 -1.90 -0.01 0.00 0.02 0.00 0.00 46.19 44.15 1aoe s LEU 131 CO 0.00 -0.49 -0.12 -0.63 0.02 0.00 0.00 176.35 175.13 1aoe s ILE 132 N 1.32 2.94 -0.40 -0.59 1.01 -0.70 -1.46 121.20 123.32 1aoe s ILE 132 Ca 0.03 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 1aoe s ILE 132 Cb -0.22 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 39.99 1aoe s ILE 132 CO -0.00 0.49 0.89 -0.89 0.00 0.00 0.00 174.94 175.43 1aoe s THR 133 N 0.91 4.59 -0.40 2.92 2.01 -0.10 -1.36 115.64 124.20 1aoe s THR 133 Ca -0.03 0.98 -0.19 0.00 0.31 0.00 0.00 61.69 62.76 1aoe s THR 133 Cb -0.15 -4.33 0.01 0.00 0.01 0.00 0.00 72.50 68.04 1aoe s THR 133 CO -0.01 -0.60 0.58 -1.61 -0.69 0.00 0.00 174.62 172.29 1aoe s GLU 134 N 3.47 3.38 -0.13 4.92 2.02 0.36 -1.29 118.70 131.42 1aoe s GLU 134 Ca 0.36 -0.33 -0.08 0.00 0.02 0.00 0.00 54.97 54.94 1aoe s GLU 134 Cb -0.12 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 1aoe s GLU 134 CO 0.21 -0.86 0.14 0.42 0.02 0.00 0.00 175.26 175.18 1aoe s ILE 135 N 2.59 5.49 0.11 -1.63 1.01 -0.00 -2.00 121.20 126.77 1aoe s ILE 135 Ca 0.20 0.21 0.07 0.00 0.00 0.00 0.00 60.65 61.13 1aoe s ILE 135 Cb -0.15 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1aoe s ILE 135 CO 0.16 0.59 -0.18 -1.61 0.00 0.00 0.00 174.94 173.91 1aoe s GLU 136 N -0.79 1.07 -0.02 2.79 2.02 0.69 -0.78 118.70 123.68 1aoe s GLU 136 Ca 0.14 -1.18 -0.13 0.00 0.02 0.00 0.00 54.97 53.81 1aoe s GLU 136 Cb -0.12 -1.16 0.02 0.00 0.10 0.00 0.00 34.13 32.97 1aoe s GLU 136 CO 0.03 0.25 0.28 -1.58 0.02 0.00 0.00 175.26 174.26 1aoe s HIS 137 N -1.56 -0.15 0.48 1.61 2.46 -1.26 -1.35 115.29 115.52 1aoe s HIS 137 Ca 0.07 0.23 0.21 0.00 0.47 0.00 0.00 55.06 56.03 1aoe s HIS 137 Cb -0.08 0.07 1.32 0.00 -0.13 0.00 0.00 32.58 33.76 1aoe s HIS 137 CO 0.04 -0.36 2.09 -1.00 -2.47 0.00 0.00 174.74 173.05 1aoe h PRO 138 N 4.05 0.00 -1.73 2.88 0.13 -2.01 -3.33 132.00 131.99 1aoe h PRO 138 Ca -0.30 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.37 1aoe h PRO 138 Cb 1.18 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 1aoe h PRO 138 CO 0.40 0.10 -0.89 -1.13 -0.23 0.00 0.00 178.00 176.25 1aoe n SER 139 N -4.12 -1.03 0.23 1.44 3.41 -1.26 -5.00 113.62 107.29 1aoe n SER 139 Ca -0.03 -2.68 0.17 0.00 -0.26 0.00 0.00 58.87 56.07 1aoe n SER 139 Cb 0.18 0.07 0.86 0.00 -0.26 0.00 0.00 64.21 65.06 1aoe n SER 139 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1aoe h PRO 140 N 4.78 0.00 0.00 4.33 0.13 -1.90 -1.33 132.00 138.01 1aoe h PRO 140 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1aoe h PRO 140 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1aoe h PRO 140 CO 0.34 0.00 -0.05 1.05 -0.23 0.00 0.00 178.00 179.11 1aoe h GLU 141 N 0.00 0.00 0.00 0.86 9.09 -1.94 -1.73 114.58 120.86 1aoe h GLU 141 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 1aoe h GLU 141 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1aoe h GLU 141 CO -0.00 0.05 0.00 0.77 0.05 0.00 0.00 179.01 179.88 1aoe h SER 142 N 0.00 0.00 -3.65 3.06 0.02 -1.68 -3.43 113.55 107.88 1aoe h SER 142 Ca -0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1aoe h SER 142 Cb 0.27 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.67 1aoe h SER 142 CO 0.01 0.00 -0.13 -0.63 -1.14 0.00 0.00 176.83 174.94 1aoe s ILE 143 N -3.42 5.10 0.06 3.27 -1.09 -0.65 -5.04 121.20 119.43 1aoe s ILE 143 Ca 0.04 0.52 -0.30 0.00 -2.23 0.00 0.00 60.65 58.68 1aoe s ILE 143 Cb 0.08 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1aoe s ILE 143 CO 0.57 -0.00 1.12 -1.61 -1.23 0.00 0.00 174.94 173.79 1aoe s GLU 144 N 2.23 4.49 0.04 2.79 2.02 -1.26 -5.03 118.70 123.98 1aoe s GLU 144 Ca 0.17 1.66 -0.20 0.00 0.02 0.00 0.00 54.97 56.62 1aoe s GLU 144 Cb -0.16 -3.37 0.04 0.00 0.10 0.00 0.00 34.13 30.74 1aoe s GLU 144 CO 0.11 -0.15 0.46 0.00 0.02 0.00 0.00 175.26 175.69 1aoe s MET 145 N 0.88 0.96 0.00 1.61 0.23 -1.26 -4.70 119.30 117.02 1aoe s MET 145 Ca 0.56 -0.30 0.00 0.00 -1.03 0.00 0.00 55.69 54.92 1aoe s MET 145 Cb -0.27 0.44 0.00 0.00 -1.53 0.00 0.00 34.83 33.47 1aoe s MET 145 CO 0.29 -0.34 0.25 -0.40 -2.03 0.00 0.00 175.02 172.80 1aoe n ASP 146 N 0.49 0.50 -3.96 -1.18 5.68 -0.72 -5.01 116.55 112.35 1aoe n ASP 146 Ca -0.18 -1.01 -0.21 0.00 -0.50 0.00 0.00 54.79 52.88 1aoe n ASP 146 Cb 0.60 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.01 0.77 0.05 2.12 2.01 -1.16 -5.02 115.64 114.40 1aoe s THR 147 Ca 0.00 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 1aoe s THR 147 Cb 0.00 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 1aoe s THR 147 CO 0.00 0.27 0.03 -0.36 -0.69 0.00 0.00 174.62 173.87 1aoe s PHE 148 N 0.62 0.35 0.24 4.92 0.40 -1.26 -0.79 117.98 122.45 1aoe s PHE 148 Ca -0.10 -0.78 -0.21 0.00 -0.60 0.00 0.00 56.93 55.24 1aoe s PHE 148 Cb -0.13 -0.25 -0.08 0.00 0.51 0.00 0.00 43.02 43.06 1aoe s PHE 148 CO 0.01 -0.37 0.76 -0.51 0.70 0.00 0.00 175.22 175.81 1aoe s LEU 149 N -2.50 4.34 -0.60 -0.37 1.43 -0.62 -4.92 118.68 115.45 1aoe s LEU 149 Ca 0.00 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.65 1aoe s LEU 149 Cb 0.03 -3.65 0.24 0.00 0.03 0.00 0.00 46.19 42.83 1aoe s LEU 149 CO -0.07 0.02 0.67 0.29 0.23 0.00 0.00 176.35 177.48 1aoe n LYS 150 N 0.71 2.07 -4.27 1.70 4.76 -1.26 -4.91 118.16 116.95 1aoe n LYS 150 Ca -0.02 -4.36 -0.35 0.00 -2.87 0.00 0.00 58.31 50.71 1aoe n LYS 150 Cb 0.51 -2.07 -0.09 0.00 -1.84 0.00 0.00 35.03 31.53 1aoe n LYS 150 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1aoe s PHE 151 N -2.06 3.20 -1.37 2.13 0.08 -1.26 -4.95 117.98 113.75 1aoe s PHE 151 Ca 0.37 0.15 -0.12 0.00 0.12 0.00 0.00 56.93 57.45 1aoe s PHE 151 Cb 0.13 -1.87 0.10 0.00 -0.57 0.00 0.00 43.02 40.81 1aoe s PHE 151 CO -0.05 0.38 2.05 -0.35 -0.10 0.00 0.00 175.22 177.15 1aoe n PRO 152 N 2.52 3.22 0.15 0.24 -0.04 -1.26 -4.75 135.00 135.07 1aoe n PRO 152 Ca -0.18 -3.06 0.19 0.00 -0.04 0.00 0.00 63.50 60.41 1aoe n PRO 152 Cb 0.53 -3.12 0.78 0.00 -0.04 0.00 0.00 33.50 31.65 1aoe n PRO 152 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1aoe h LEU 153 N 9.06 0.00 -2.48 1.53 4.07 -1.95 0.26 115.31 125.80 1aoe h LEU 153 Ca 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.44 1aoe h LEU 153 Cb 0.64 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.38 1aoe h LEU 153 CO 1.75 0.00 -0.02 1.05 -1.08 0.00 0.00 178.44 180.14 1aoe h GLU 154 N 0.00 0.00 -0.52 1.13 9.09 -2.03 -1.05 114.58 121.20 1aoe h GLU 154 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1aoe h GLU 154 Cb 0.82 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.92 1aoe h GLU 154 CO -0.00 0.02 0.00 0.43 0.05 0.00 0.00 179.01 179.51 1aoe n SER 155 N -3.36 3.04 -4.29 3.06 7.64 0.90 -4.90 113.62 115.70 1aoe n SER 155 Ca -0.02 -1.97 -0.19 0.00 1.01 0.00 0.00 58.87 57.70 1aoe n SER 155 Cb 0.13 -0.34 -0.11 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.32 1.58 -0.10 1.43 0.52 -0.40 -0.99 118.94 119.66 1aoe s TRP 156 Ca 0.38 -0.56 0.04 0.00 0.02 0.00 0.00 56.10 55.98 1aoe s TRP 156 Cb 0.20 -0.78 0.00 0.00 -1.15 0.00 0.00 33.47 31.74 1aoe s TRP 156 CO 0.27 0.24 -0.22 0.99 0.02 0.00 0.00 176.95 178.26 1aoe s THR 157 N -2.47 1.89 -0.13 2.01 2.01 0.71 -4.77 115.64 114.89 1aoe s THR 157 Ca 0.15 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 1aoe s THR 157 Cb -0.03 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 1aoe s THR 157 CO 0.05 0.52 1.03 -0.75 -0.69 0.00 0.00 174.62 174.78 1aoe s LYS 158 N 0.43 4.38 0.55 4.92 2.20 -1.26 -1.38 119.74 129.57 1aoe s LYS 158 Ca -0.18 1.40 -0.10 0.00 -0.36 0.00 0.00 55.97 56.73 1aoe s LYS 158 Cb -0.17 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.53 1aoe s LYS 158 CO 0.07 -0.40 0.94 -0.65 -0.36 0.00 0.00 175.35 174.95 1aoe s GLN 159 N 2.31 3.66 0.78 4.03 -1.52 0.74 -4.99 119.66 124.67 1aoe s GLN 159 Ca 0.48 0.62 -0.12 0.00 -1.95 0.00 0.00 55.36 54.38 1aoe s GLN 159 Cb -0.18 -2.19 0.06 0.00 -0.22 0.00 0.00 33.01 30.48 1aoe s GLN 159 CO 0.15 -0.38 1.13 -1.25 -0.25 0.00 0.00 175.29 174.69 1aoe s PRO 160 N -4.77 2.05 0.36 2.91 0.05 -1.26 -4.64 135.00 129.70 1aoe s PRO 160 Ca 0.53 1.40 0.10 0.00 0.05 0.00 0.00 61.00 63.08 1aoe s PRO 160 Cb -0.11 -1.86 0.85 0.00 0.05 0.00 0.00 34.50 33.44 1aoe s PRO 160 CO 0.46 -1.83 1.85 -0.22 0.05 0.00 0.00 177.00 177.31 1aoe h LYS 161 N -0.94 0.63 -0.82 4.56 3.64 -1.97 -1.00 116.57 120.68 1aoe h LYS 161 Ca -0.45 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.04 1aoe h LYS 161 Cb 1.25 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 1aoe h LYS 161 CO 0.49 0.42 0.54 0.66 -2.27 0.00 0.00 179.45 179.29 1aoe h SER 162 N 0.65 0.53 0.27 4.20 4.64 -1.99 0.26 113.55 122.11 1aoe h SER 162 Ca 0.47 0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.66 1aoe h SER 162 Cb 0.83 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1aoe h SER 162 CO -0.23 0.27 -0.65 -0.33 -0.87 0.00 0.00 176.83 175.03 1aoe h GLU 163 N 0.56 0.36 -0.42 4.77 4.39 -1.54 -1.39 114.58 121.31 1aoe h GLU 163 Ca 0.40 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 1aoe h GLU 163 Cb 0.76 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1aoe h GLU 163 CO -0.16 0.88 -0.16 1.25 -1.16 0.00 0.00 179.01 179.66 1aoe h LEU 164 N 0.26 0.88 -1.16 1.33 5.85 -1.23 -2.18 115.31 119.05 1aoe h LEU 164 Ca -0.01 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1aoe h LEU 164 Cb 1.18 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1aoe h LEU 164 CO 0.11 1.07 0.43 -0.61 -0.34 0.00 0.00 178.44 179.10 1aoe h GLN 165 N 0.68 1.00 -0.72 1.25 5.75 -0.80 -1.12 115.11 121.15 1aoe h GLN 165 Ca 0.10 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 1aoe h GLN 165 Cb 0.72 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 1aoe h GLN 165 CO 0.05 0.71 0.21 0.87 -2.65 0.00 0.00 178.83 178.02 1aoe h LYS 166 N 1.02 1.13 -0.45 1.69 1.57 -1.05 -1.74 116.57 118.74 1aoe h LYS 166 Ca 0.26 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1aoe h LYS 166 Cb -0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1aoe h LYS 166 CO -0.05 0.98 0.22 0.35 -0.57 0.00 0.00 179.45 180.39 1aoe h PHE 167 N 1.08 0.64 -0.01 -1.35 3.04 -0.61 -3.15 116.94 116.58 1aoe h PHE 167 Ca 0.23 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1aoe h PHE 167 Cb 0.33 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1aoe h PHE 167 CO 0.03 0.51 -0.22 1.33 -2.02 0.00 0.00 178.31 177.94 1aoe n VAL 168 N -4.66 0.00 0.00 1.41 0.24 -0.53 -5.02 118.33 109.76 1aoe n VAL 168 Ca 0.01 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1aoe n VAL 168 Cb 0.11 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 1.33 2.91 0.01 7.63 0.00 -0.67 -2.83 105.19 113.56 1aoe n GLY 169 Ca 0.13 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.06 1aoe n GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aoe n ASP 170 N 8.31 0.04 -4.75 1.61 5.75 -1.26 -4.78 116.55 121.46 1aoe n ASP 170 Ca 0.00 0.05 -0.42 0.00 -0.01 0.00 0.00 54.79 54.41 1aoe n ASP 170 Cb 0.00 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 39.74 1aoe n ASP 170 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1aoe n THR 171 N -1.35 1.42 -2.79 2.12 -1.04 -1.13 -4.94 114.28 106.58 1aoe n THR 171 Ca 0.12 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.05 61.36 1aoe n THR 171 Cb 0.28 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 66.84 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 -0.46 4.91 -0.43 12.58 1.01 -1.26 -5.01 120.40 131.73 1aoe s VAL 172 Ca 0.60 1.92 -0.01 0.00 0.00 0.00 0.00 61.98 64.49 1aoe s VAL 172 Cb -0.50 -4.26 0.12 0.00 0.00 0.00 0.00 36.38 31.74 1aoe s VAL 172 CO 0.55 0.18 0.21 -0.76 0.00 0.00 0.00 175.10 175.27 1aoe s LEU 173 N 0.98 5.13 0.37 3.92 1.43 -1.26 -5.09 118.68 124.15 1aoe s LEU 173 Ca 0.49 -2.20 -0.17 0.00 -1.03 0.00 0.00 54.13 51.22 1aoe s LEU 173 Cb -0.20 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.13 1aoe s LEU 173 CO 0.26 -0.48 0.82 -1.61 0.23 0.00 0.00 176.35 175.56 1aoe s GLU 174 N 0.89 4.09 0.17 1.70 2.02 -1.26 -5.07 118.70 121.23 1aoe s GLU 174 Ca 0.10 0.84 -0.02 0.00 0.02 0.00 0.00 54.97 55.92 1aoe s GLU 174 Cb -0.22 -2.33 -0.05 0.00 0.10 0.00 0.00 34.13 31.63 1aoe s GLU 174 CO -0.05 0.08 0.36 -0.51 0.02 0.00 0.00 175.26 175.17 1aoe s ASP 175 N -2.25 6.41 -1.36 -0.19 1.01 -1.26 -4.62 116.67 114.41 1aoe s ASP 175 Ca 0.57 0.43 -0.07 0.00 0.71 0.00 0.00 52.55 54.20 1aoe s ASP 175 Cb -0.10 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.81 1aoe s ASP 175 CO 0.16 0.01 0.45 0.47 0.21 0.00 0.00 175.17 176.47 1aoe n ASP 176 N -0.33 -1.37 -4.72 0.27 8.00 -1.18 -4.88 116.55 112.35 1aoe n ASP 176 Ca -0.04 -1.07 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 1aoe n ASP 176 Cb 0.53 -2.78 -0.03 0.00 -0.02 0.00 0.00 41.12 38.81 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 3.15 -0.11 0.53 1.01 -0.37 -4.72 121.20 116.80 1aoe s ILE 177 Ca 0.13 0.82 -0.04 0.00 0.00 0.00 0.00 60.65 61.57 1aoe s ILE 177 Cb -0.06 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1aoe s ILE 177 CO 0.91 0.06 0.03 -0.54 0.00 0.00 0.00 174.94 175.40 1aoe s LYS 178 N 1.11 3.25 -0.21 2.79 1.02 -1.26 -0.58 119.74 125.85 1aoe s LYS 178 Ca 0.66 -0.35 -0.04 0.00 0.02 0.00 0.00 55.97 56.26 1aoe s LYS 178 Cb -0.38 -2.93 0.09 0.00 -0.52 0.00 0.00 37.83 34.09 1aoe s LYS 178 CO 0.30 0.63 0.22 -1.21 -0.92 0.00 0.00 175.35 174.37 1aoe s GLU 179 N -0.66 0.20 7.52 1.68 2.02 -0.49 -5.02 118.70 123.94 1aoe s GLU 179 Ca 0.11 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.27 1aoe s GLU 179 Cb -0.12 -1.20 0.00 0.00 0.10 0.00 0.00 34.13 32.91 1aoe s GLU 179 CO 0.02 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.03 1aoe n GLY 180 N 5.32 3.06 0.53 -1.39 0.00 -1.26 -1.37 105.19 110.08 1aoe n GLY 180 Ca -0.05 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 4.97 1.66 -4.86 1.61 8.00 -1.26 -4.91 116.55 121.76 1aoe n ASP 181 Ca 0.00 -1.56 -0.34 0.00 0.71 0.00 0.00 54.79 53.60 1aoe n ASP 181 Cb 0.00 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.98 3.53 -0.05 1.24 0.08 -0.47 -4.25 117.98 116.08 1aoe s PHE 182 Ca 0.37 0.90 0.02 0.00 0.12 0.00 0.00 56.93 58.33 1aoe s PHE 182 Cb 0.21 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1aoe s PHE 182 CO 0.33 0.40 -0.07 0.99 -0.10 0.00 0.00 175.22 176.76 1aoe s THR 183 N -1.58 0.75 0.11 0.64 2.01 -0.45 -1.40 115.64 115.72 1aoe s THR 183 Ca 0.40 -0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.08 1aoe s THR 183 Cb -0.13 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 1aoe s THR 183 CO 0.20 0.27 0.18 -0.72 -0.69 0.00 0.00 174.62 173.86 1aoe s TYR 184 N 0.80 0.36 0.01 4.92 1.13 0.25 -0.22 117.35 124.60 1aoe s TYR 184 Ca -0.13 -0.78 -0.01 0.00 -1.41 0.00 0.00 57.07 54.75 1aoe s TYR 184 Cb -0.15 -0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.55 1aoe s TYR 184 CO 0.02 -0.58 -0.01 -0.80 -2.51 0.00 0.00 175.55 171.67 1aoe s ASN 185 N -2.93 0.17 0.00 -0.18 -0.87 -0.85 -1.24 114.94 109.05 1aoe s ASN 185 Ca 0.12 -0.37 -0.16 0.00 -1.57 0.00 0.00 52.86 50.88 1aoe s ASN 185 Cb 0.05 0.09 -0.06 0.00 -0.02 0.00 0.00 41.25 41.32 1aoe s ASN 185 CO -0.06 -0.24 0.43 -0.31 -2.57 0.00 0.00 177.10 174.35 1aoe s TYR 186 N -1.14 3.72 0.04 2.20 2.02 -1.26 -0.49 117.35 122.44 1aoe s TYR 186 Ca -0.12 1.02 0.00 0.00 -0.37 0.00 0.00 57.07 57.60 1aoe s TYR 186 Cb -0.08 -2.34 -0.03 0.00 -0.40 0.00 0.00 41.96 39.12 1aoe s TYR 186 CO -0.01 0.60 -0.05 0.95 -1.57 0.00 0.00 175.55 175.48 1aoe s THR 187 N -0.95 0.32 -0.04 -0.71 -4.23 -0.47 -4.96 115.64 104.60 1aoe s THR 187 Ca 0.24 -1.35 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1aoe s THR 187 Cb -0.17 -0.89 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 1aoe s THR 187 CO 0.14 -0.67 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.15 1aoe s LEU 188 N -2.12 1.95 0.04 4.79 2.96 -1.26 -1.71 118.68 123.32 1aoe s LEU 188 Ca -0.04 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1aoe s LEU 188 Cb -0.03 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 1aoe s LEU 188 CO -0.04 0.17 -0.13 0.26 -1.32 0.00 0.00 176.35 175.30 1aoe s TRP 189 N -0.09 1.09 0.31 5.38 0.52 0.09 -0.18 118.94 126.06 1aoe s TRP 189 Ca -0.01 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 55.80 1aoe s TRP 189 Cb -0.10 -0.65 -0.06 0.00 -1.15 0.00 0.00 33.47 31.50 1aoe s TRP 189 CO 0.01 0.02 0.04 0.95 0.02 0.00 0.00 176.95 177.99 1aoe s THR 190 N -0.85 1.24 0.38 2.01 -4.23 -0.48 -1.75 115.64 111.96 1aoe s THR 190 Ca 0.00 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.24 1aoe s THR 190 Cb -0.08 -2.71 -0.09 0.00 1.34 0.00 0.00 72.50 70.96 1aoe s THR 190 CO 0.01 -0.07 1.08 -0.13 -0.54 0.00 0.00 174.62 174.97 1aoe s ARG 191 N -3.87 4.23 0.00 3.99 0.52 -1.26 -0.21 118.95 122.35 1aoe s ARG 191 Ca 0.35 1.64 0.31 0.00 -0.52 0.00 0.00 55.73 57.51 1aoe s ARG 191 Cb 0.08 -2.69 1.72 0.00 0.52 0.00 0.00 34.95 34.58 1aoe s ARG 191 CO 0.14 -0.11 2.12 1.63 0.02 0.00 0.00 175.30 179.11