#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n LEU 3 N 0.00 0.23 -3.67 2.45 7.94 -1.26 -4.87 117.00 117.82 3kno n LEU 3 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3kno n LEU 3 Cb 0.00 -0.68 -0.09 0.00 0.53 0.00 0.00 43.42 43.18 3kno n LEU 3 CO 0.00 -0.12 0.12 1.51 -1.11 0.00 0.00 177.39 177.80 3kno s ASP 4 N -2.17 -0.58 0.30 1.96 -4.77 -1.26 -5.03 116.67 105.12 3kno s ASP 4 Ca 0.00 1.11 0.01 0.00 -3.30 0.00 0.00 52.55 50.38 3kno s ASP 4 Cb 0.00 1.23 -0.02 0.00 -1.09 0.00 0.00 42.92 43.04 3kno s ASP 4 CO 0.00 -0.22 0.32 0.68 0.70 0.00 0.00 175.17 176.66 3kno s VAL 5 N 1.99 0.00 0.00 2.11 -7.23 -1.26 -5.00 120.40 111.01 3kno s VAL 5 Ca -0.07 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 3kno s VAL 5 Cb -0.09 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3kno s VAL 5 CO -0.15 0.00 0.93 0.00 -0.31 0.00 0.00 175.10 175.57 3kno n ALA 6 N -0.52 -0.08 0.12 1.32 0.00 -1.26 -0.29 120.51 119.80 3kno n ALA 6 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.66 3kno n ALA 6 Cb 0.63 0.37 0.62 0.00 0.00 0.00 0.00 19.45 21.07 3kno n ALA 6 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kno h LEU 7 N 0.00 0.00 0.20 0.00 3.38 -1.94 0.75 115.31 117.69 3kno h LEU 7 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kno h LEU 7 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kno h LEU 7 CO 0.00 0.00 -0.09 0.11 0.09 0.00 0.00 178.44 178.55 3kno h LYS 8 N 0.00 -0.26 0.95 1.13 1.57 -1.04 -1.02 116.57 117.91 3kno h LYS 8 Ca 0.19 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3kno h LYS 8 Cb 1.47 0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.84 3kno h LYS 8 CO -0.00 -0.17 -0.49 0.00 -0.57 0.00 0.00 179.45 178.22 3kno h ARG 9 N -0.38 -1.26 -1.75 3.15 3.08 -0.56 -1.45 114.38 115.22 3kno h ARG 9 Ca -0.03 0.09 0.54 0.00 0.07 0.00 0.00 59.98 60.65 3kno h ARG 9 Cb 0.20 0.29 -0.11 0.00 0.08 0.00 0.00 29.97 30.43 3kno h ARG 9 CO 0.04 -0.84 1.21 1.17 -1.07 0.00 0.00 179.97 180.48 3kno n LYS 10 N -5.66 -0.02 0.00 0.04 3.00 0.25 0.14 118.16 115.91 3kno n LYS 10 Ca -0.16 1.16 -0.06 0.00 -0.00 0.00 0.00 58.31 59.25 3kno n LYS 10 Cb 0.52 -2.51 -0.05 0.00 0.00 0.00 0.00 35.03 33.00 3kno n LYS 10 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 3kno h TYR 11 N 0.00 -0.12 0.00 5.64 3.20 -0.35 -3.17 116.97 122.17 3kno h TYR 11 Ca 0.92 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.79 3kno h TYR 11 Cb 3.42 0.04 0.00 0.00 1.54 0.00 0.00 36.73 41.73 3kno h TYR 11 CO -0.00 0.20 0.00 1.88 -1.64 0.00 0.00 178.16 178.60 3kno h TYR 12 N -0.99 0.00 -2.94 -3.82 0.99 0.54 0.91 116.97 111.65 3kno h TYR 12 Ca -0.01 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.11 3kno h TYR 12 Cb 0.38 0.00 -0.40 0.00 1.00 0.00 0.00 36.73 37.71 3kno h TYR 12 CO 0.07 0.00 -0.74 -1.83 -0.00 0.00 0.00 178.16 175.66 3kno s GLU 13 N -3.67 1.37 0.00 4.88 -1.05 0.12 -4.55 118.70 115.80 3kno s GLU 13 Ca 0.00 -2.15 0.00 0.00 -0.15 0.00 0.00 54.97 52.67 3kno s GLU 13 Cb 0.10 -2.36 0.00 0.00 -0.44 0.00 0.00 34.13 31.42 3kno s GLU 13 CO 0.43 -1.19 0.00 -1.91 0.95 0.00 0.00 175.26 173.54 3kno n GLU 14 N 3.33 0.00 0.16 -4.83 2.13 -1.26 -4.65 120.64 115.52 3kno n GLU 14 Ca 0.12 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.86 3kno n GLU 14 Cb 0.36 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.03 3kno n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3kno h VAL 15 N 0.00 0.00 -0.79 6.31 2.07 -1.51 0.57 116.25 122.90 3kno h VAL 15 Ca 0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 3kno h VAL 15 Cb 0.00 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.63 3kno h VAL 15 CO 0.00 0.00 -0.05 -0.09 0.02 0.00 0.00 177.57 177.45 3kno h ARG 16 N -0.45 0.06 0.09 1.57 1.12 0.62 -2.17 114.38 115.22 3kno h ARG 16 Ca -0.04 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.82 3kno h ARG 16 Cb 0.36 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.31 3kno h ARG 16 CO 0.04 0.04 -0.04 -1.00 -3.11 0.00 0.00 179.97 175.90 3kno h PRO 17 N 0.06 -0.12 -1.03 0.20 0.13 -1.78 -3.26 132.00 126.22 3kno h PRO 17 Ca 0.42 0.01 0.28 0.00 -0.87 0.00 0.00 66.00 65.84 3kno h PRO 17 Cb 0.73 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 31.76 3kno h PRO 17 CO -0.73 0.41 0.61 1.49 -0.23 0.00 0.00 178.00 179.56 3kno h GLU 18 N -0.86 0.45 0.00 0.86 4.57 0.33 0.75 114.58 120.68 3kno h GLU 18 Ca -0.01 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 3kno h GLU 18 Cb 0.58 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 3kno h GLU 18 CO 0.02 0.30 -0.20 -0.07 -1.18 0.00 0.00 179.01 177.88 3kno h LEU 19 N 0.46 0.00 -0.28 1.64 3.38 -1.50 -0.89 115.31 118.12 3kno h LEU 19 Ca 0.67 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.44 3kno h LEU 19 Cb 1.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 3kno h LEU 19 CO -0.47 0.20 -0.88 0.40 0.09 0.00 0.00 178.44 177.77 3kno h ILE 20 N 0.00 1.50 -0.01 1.22 2.04 0.46 -1.33 117.51 121.39 3kno h ILE 20 Ca -0.00 -2.64 -0.01 0.00 1.00 0.00 0.00 64.86 63.21 3kno h ILE 20 Cb 0.66 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 3kno h ILE 20 CO 0.03 0.77 -0.03 -0.09 0.00 0.00 0.00 178.15 178.82 3kno h ARG 21 N 0.10 0.04 -0.19 2.37 1.12 -0.89 1.63 114.38 118.57 3kno h ARG 21 Ca -0.04 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.73 3kno h ARG 21 Cb 1.51 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.46 3kno h ARG 21 CO 0.13 0.65 -0.19 0.00 -3.11 0.00 0.00 179.97 177.45 3kno h ARG 22 N -0.57 0.33 0.00 0.20 3.08 -1.22 -3.27 114.38 112.93 3kno h ARG 22 Ca -0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3kno h ARG 22 Cb 0.66 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3kno h ARG 22 CO 0.01 0.51 -1.01 1.19 -1.07 0.00 0.00 179.97 179.60 3kno n PHE 23 N -4.19 0.00 -2.97 3.04 3.01 -0.50 -5.07 117.46 110.78 3kno n PHE 23 Ca -0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 3kno n PHE 23 Cb 0.34 -0.12 0.01 0.00 -0.01 0.00 0.00 39.48 39.70 3kno n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kno n GLY 24 N 1.67 -1.11 3.94 1.37 0.00 0.56 -5.00 105.19 106.63 3kno n GLY 24 Ca -0.00 1.19 -0.24 0.00 0.00 0.00 0.00 46.02 46.97 3kno n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kno s TYR 25 N -2.49 3.50 0.00 1.61 2.02 -1.19 -5.04 117.35 115.76 3kno s TYR 25 Ca 0.25 0.36 0.00 0.00 -0.37 0.00 0.00 57.07 57.30 3kno s TYR 25 Cb -0.06 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 3kno s TYR 25 CO 0.79 0.12 0.00 1.04 -1.57 0.00 0.00 175.55 175.92 3kno n GLN 26 N -1.77 0.00 0.00 -0.62 1.13 -1.26 -4.67 117.38 110.19 3kno n GLN 26 Ca -0.05 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.06 3kno n GLN 26 Cb 0.56 -0.12 0.25 0.00 0.11 0.00 0.00 30.24 31.04 3kno n GLN 26 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3kno n ASN 27 N -0.79 0.00 0.00 1.08 3.02 -1.26 -4.86 115.26 112.46 3kno n ASN 27 Ca 0.00 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 3kno n ASN 27 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3kno n ASN 27 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kno n VAL 28 N -0.96 0.00 -0.32 2.41 0.31 -1.26 -4.19 118.33 114.32 3kno n VAL 28 Ca 0.06 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.46 3kno n VAL 28 Cb 0.03 0.00 0.27 0.00 -0.91 0.00 0.00 33.84 33.23 3kno n VAL 28 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3kno h TRP 29 N 0.00 1.03 -0.11 3.52 -0.00 -2.00 0.74 115.95 119.13 3kno h TRP 29 Ca 0.00 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.95 3kno h TRP 29 Cb 0.00 -0.33 -0.00 0.00 -0.00 0.00 0.00 29.16 28.83 3kno h TRP 29 CO 0.00 0.45 0.20 1.49 -0.00 0.00 0.00 178.44 180.58 3kno h GLU 30 N 0.93 0.00 -6.91 0.49 4.81 -1.95 -3.44 114.58 108.52 3kno h GLU 30 Ca 0.44 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 59.19 3kno h GLU 30 Cb 0.44 0.00 0.22 0.00 0.63 0.00 0.00 28.75 30.04 3kno h GLU 30 CO -0.20 0.00 -0.48 1.55 -0.73 0.00 0.00 179.01 179.15 3kno n VAL 31 N -3.43 0.00 -2.57 0.32 3.14 0.25 -4.89 118.33 111.15 3kno n VAL 31 Ca -0.00 -0.25 -0.43 0.00 -2.96 0.00 0.00 64.34 60.70 3kno n VAL 31 Cb 0.29 -0.76 -0.02 0.00 -1.06 0.00 0.00 33.84 32.29 3kno n VAL 31 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3kno s PRO 32 N -3.91 3.65 0.23 1.45 0.02 -1.26 -4.90 135.00 130.28 3kno s PRO 32 Ca 0.61 0.52 0.11 0.00 0.02 0.00 0.00 61.00 62.25 3kno s PRO 32 Cb -0.20 -3.95 -0.05 0.00 0.02 0.00 0.00 34.50 30.33 3kno s PRO 32 CO 0.65 -1.49 -0.15 1.03 -0.33 0.00 0.00 177.00 176.71 3kno s ARG 33 N 4.65 1.83 0.16 5.54 3.00 -1.26 -4.92 118.95 127.95 3kno s ARG 33 Ca 0.48 -1.51 -0.30 0.00 0.00 0.00 0.00 55.73 54.39 3kno s ARG 33 Cb -0.08 -1.96 -0.08 0.00 0.00 0.00 0.00 34.95 32.84 3kno s ARG 33 CO 0.30 0.38 1.29 -0.51 0.00 0.00 0.00 175.30 176.76 3kno s LEU 34 N -3.12 4.41 -0.08 2.53 1.43 -1.26 -3.17 118.68 119.42 3kno s LEU 34 Ca 0.26 2.30 -0.09 0.00 -1.03 0.00 0.00 54.13 55.57 3kno s LEU 34 Cb -0.07 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 3kno s LEU 34 CO 0.14 -0.51 -0.18 -0.62 0.23 0.00 0.00 176.35 175.42 3kno n GLU 35 N 3.01 0.27 -3.70 1.70 1.02 -0.83 -4.94 120.64 117.17 3kno n GLU 35 Ca 0.07 0.11 -0.10 0.00 -0.02 0.00 0.00 57.16 57.22 3kno n GLU 35 Cb 0.44 -0.93 -0.05 0.00 -0.02 0.00 0.00 31.44 30.87 3kno n GLU 35 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3kno s LYS 36 N -2.13 1.00 -0.19 3.49 -2.85 -1.22 -4.28 119.74 113.56 3kno s LYS 36 Ca -0.15 -0.77 -0.02 0.00 -1.00 0.00 0.00 55.97 54.04 3kno s LYS 36 Cb 0.02 0.43 0.05 0.00 -2.06 0.00 0.00 37.83 36.27 3kno s LYS 36 CO 0.22 -0.37 -0.00 0.08 0.10 0.00 0.00 175.35 175.38 3kno s VAL 37 N -3.77 0.81 -0.92 1.79 1.01 0.19 -0.64 120.40 118.85 3kno s VAL 37 Ca 0.03 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 3kno s VAL 37 Cb 0.03 -1.18 0.24 0.00 0.00 0.00 0.00 36.38 35.46 3kno s VAL 37 CO -0.11 -0.08 0.87 -0.69 0.00 0.00 0.00 175.10 175.08 3kno s VAL 38 N 1.74 5.41 0.29 2.92 1.01 -0.73 0.83 120.40 131.86 3kno s VAL 38 Ca -0.01 -3.06 -0.29 0.00 0.00 0.00 0.00 61.98 58.61 3kno s VAL 38 Cb -0.17 -4.32 -0.10 0.00 0.00 0.00 0.00 36.38 31.80 3kno s VAL 38 CO -0.07 -1.08 1.23 -0.51 0.00 0.00 0.00 175.10 174.66 3kno s ILE 39 N -0.60 3.10 0.03 2.22 1.10 -1.12 -3.26 121.20 122.66 3kno s ILE 39 Ca 0.24 1.06 -0.05 0.00 -0.51 0.00 0.00 60.65 61.39 3kno s ILE 39 Cb -0.11 -3.68 -0.01 0.00 0.15 0.00 0.00 42.46 38.81 3kno s ILE 39 CO -0.08 0.24 0.08 0.21 -2.11 0.00 0.00 174.94 173.27 3kno s ASN 40 N -0.48 0.17 -0.04 4.50 3.84 0.39 -2.48 114.94 120.84 3kno s ASN 40 Ca 0.49 -0.49 0.01 0.00 0.21 0.00 0.00 52.86 53.08 3kno s ASN 40 Cb -0.36 0.20 0.02 0.00 -0.55 0.00 0.00 41.25 40.56 3kno s ASN 40 CO 0.46 -0.45 -0.05 -1.10 -2.79 0.00 0.00 177.10 173.16 3kno s GLN 41 N -2.25 0.86 -0.24 0.43 -0.21 -0.36 0.21 119.66 118.11 3kno s GLN 41 Ca -0.08 -0.14 0.14 0.00 0.02 0.00 0.00 55.36 55.30 3kno s GLN 41 Cb -0.03 -0.84 0.76 0.00 1.00 0.00 0.00 33.01 33.89 3kno s GLN 41 CO -0.03 -0.05 1.70 0.41 -2.12 0.00 0.00 175.29 175.19 3kno n GLY 42 N 3.92 3.32 0.00 3.09 0.00 -1.26 -2.55 105.19 111.71 3kno n GLY 42 Ca -0.25 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3kno n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kno n LEU 43 N 0.28 0.00 0.00 0.99 7.99 -1.26 -4.61 117.00 120.39 3kno n LEU 43 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.28 3kno n LEU 43 Cb 1.17 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.48 3kno n LEU 43 CO 0.31 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 3kno n GLY 44 N 0.00 3.13 3.75 -0.72 0.00 -1.26 -4.99 105.19 105.09 3kno n GLY 44 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3kno n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kno s GLU 45 N -0.29 4.82 0.00 1.61 0.41 -1.26 -4.55 118.70 119.45 3kno s GLU 45 Ca 0.00 1.51 0.00 0.00 -0.41 0.00 0.00 54.97 56.07 3kno s GLU 45 Cb 0.00 -3.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 3kno s GLU 45 CO 0.00 0.46 0.00 0.00 -0.49 0.00 0.00 175.26 175.23 3kno n ALA 46 N 1.65 0.00 -1.00 5.21 0.00 -1.26 -4.31 120.51 120.80 3kno n ALA 46 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kno n ALA 46 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3kno n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kno n LYS 47 N 0.00 2.29 -2.46 0.00 4.76 -1.26 -4.75 118.16 116.74 3kno n LYS 47 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 3kno n LYS 47 Cb 0.00 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.25 3kno n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3kno s GLU 48 N 0.00 2.30 0.00 1.97 8.01 -1.26 -4.23 118.70 125.48 3kno s GLU 48 Ca 0.00 -0.62 0.00 0.00 0.01 0.00 0.00 54.97 54.36 3kno s GLU 48 Cb 0.00 -2.34 0.00 0.00 -4.31 0.00 0.00 34.13 27.48 3kno s GLU 48 CO 0.00 -1.01 0.00 -3.47 0.01 0.00 0.00 175.26 170.79 3kno n ASP 49 N -2.63 -0.73 -0.49 -0.19 -0.08 -1.26 -4.49 116.55 106.68 3kno n ASP 49 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 3kno n ASP 49 Cb 0.60 -0.12 0.00 0.00 2.34 0.00 0.00 41.12 43.94 3kno n ASP 49 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kno n ALA 50 N 0.43 -0.98 -2.81 -1.67 0.00 -1.26 -5.01 120.51 109.21 3kno n ALA 50 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3kno n ALA 50 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3kno n ALA 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kno s ARG 51 N -0.51 3.91 0.17 0.00 1.81 -1.26 -4.71 118.95 118.36 3kno s ARG 51 Ca 0.00 -2.11 0.21 0.00 -1.72 0.00 0.00 55.73 52.12 3kno s ARG 51 Cb 0.00 -5.19 -0.04 0.00 -0.45 0.00 0.00 34.95 29.27 3kno s ARG 51 CO 0.00 -1.94 0.97 -0.89 -0.68 0.00 0.00 175.30 172.76 3kno n ILE 52 N 5.49 0.70 0.00 1.52 2.08 -1.26 -4.82 119.36 123.07 3kno n ILE 52 Ca 0.37 -0.57 0.00 0.00 0.56 0.00 0.00 62.75 63.10 3kno n ILE 52 Cb 0.46 -0.39 0.00 0.00 -0.75 0.00 0.00 39.64 38.95 3kno n ILE 52 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3kno n LEU 53 N -2.70 0.00 -0.41 1.39 7.99 -1.26 -4.66 117.00 117.35 3kno n LEU 53 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.03 3kno n LEU 53 Cb 0.60 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.97 3kno n LEU 53 CO 0.41 0.00 0.45 -0.62 -1.51 0.00 0.00 177.39 176.12 3kno n GLU 54 N 0.00 0.90 0.27 3.23 -0.58 -1.26 -4.46 120.64 118.75 3kno n GLU 54 Ca 0.00 -1.27 -0.11 0.00 -0.42 0.00 0.00 57.16 55.36 3kno n GLU 54 Cb 0.00 -1.19 -0.05 0.00 -0.57 0.00 0.00 31.44 29.63 3kno n GLU 54 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3kno h LYS 55 N 1.81 -0.68 0.00 3.49 1.57 -1.98 0.16 116.57 120.95 3kno h LYS 55 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kno h LYS 55 Cb 0.46 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3kno h LYS 55 CO 0.00 -0.45 0.00 0.00 -0.57 0.00 0.00 179.45 178.43 3kno n ALA 56 N -2.42 1.48 -0.03 3.86 0.00 -1.26 0.32 120.51 122.45 3kno n ALA 56 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 3kno n ALA 56 Cb 0.28 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 3kno n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n ALA 57 N -0.97 2.01 -0.00 0.00 0.00 -0.11 -3.65 120.51 117.78 3kno n ALA 57 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 53.44 52.59 3kno n ALA 57 Cb 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 19.45 18.85 3kno n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n GLN 58 N -2.66 2.70 0.19 0.00 -0.00 0.13 -4.16 117.38 113.58 3kno n GLN 58 Ca -0.17 -0.00 0.04 0.00 -0.00 0.00 0.00 57.00 56.86 3kno n GLN 58 Cb 0.89 -1.01 0.42 0.00 -0.00 0.00 0.00 30.24 30.54 3kno n GLN 58 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 3kno h GLU 59 N 0.00 0.05 0.00 2.61 4.81 0.49 0.49 114.58 123.03 3kno h GLU 59 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kno h GLU 59 Cb 0.72 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3kno h GLU 59 CO 0.00 0.30 0.00 1.25 -0.73 0.00 0.00 179.01 179.83 3kno h LEU 60 N 0.04 0.00 0.00 1.64 7.12 -1.63 -2.94 115.31 119.54 3kno h LEU 60 Ca 0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.02 3kno h LEU 60 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 3kno h LEU 60 CO 0.03 0.00 -0.32 0.00 -0.13 0.00 0.00 178.44 178.02 3kno n ALA 61 N -2.08 2.76 -0.08 1.25 0.00 0.16 -3.80 120.51 118.73 3kno n ALA 61 Ca 0.03 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 3kno n ALA 61 Cb 0.48 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 3kno n ALA 61 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kno h LEU 62 N 0.00 0.00 -3.13 0.00 4.07 -1.13 1.15 115.31 116.27 3kno h LEU 62 Ca 0.00 -0.65 0.00 0.00 0.08 0.00 0.00 57.88 57.31 3kno h LEU 62 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 3kno h LEU 62 CO 0.00 1.03 0.00 2.30 -1.08 0.00 0.00 178.44 180.69 3kno n ILE 63 N -4.59 1.56 0.00 1.22 -5.35 -1.20 -3.54 119.36 107.46 3kno n ILE 63 Ca -0.14 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3kno n ILE 63 Cb 0.44 -1.37 0.00 0.00 -1.74 0.00 0.00 39.64 36.97 3kno n ILE 63 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3kno n THR 64 N 1.54 0.00 -1.74 7.28 5.66 -1.25 -5.02 114.28 120.75 3kno n THR 64 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 3kno n THR 64 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 3kno n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kno n GLY 65 N -0.98 -0.02 0.00 1.09 0.00 0.40 -4.98 105.19 100.70 3kno n GLY 65 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3kno n GLY 65 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kno n GLN 66 N -1.37 0.00 -1.76 1.61 6.02 -1.18 -5.05 117.38 115.65 3kno n GLN 66 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.57 3kno n GLN 66 Cb 0.51 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.77 3kno n GLN 66 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kno n LYS 67 N 0.00 2.57 -2.77 -1.09 5.02 -1.26 -4.51 118.16 116.11 3kno n LYS 67 Ca 0.00 0.90 -0.21 0.00 -2.02 0.00 0.00 58.31 56.98 3kno n LYS 67 Cb 0.00 -2.60 0.07 0.00 -0.02 0.00 0.00 35.03 32.48 3kno n LYS 67 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3kno s PRO 68 N -2.04 2.10 0.00 1.97 0.02 -1.26 -4.96 135.00 130.83 3kno s PRO 68 Ca 0.54 -1.25 0.00 0.00 0.02 0.00 0.00 61.00 60.31 3kno s PRO 68 Cb -0.49 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3kno s PRO 68 CO 0.63 -1.06 0.00 0.00 -0.33 0.00 0.00 177.00 176.25 3kno n ALA 69 N -2.49 0.00 -2.62 -1.55 0.00 -0.09 -4.89 120.51 108.86 3kno n ALA 69 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 3kno n ALA 69 Cb 0.61 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.08 3kno n ALA 69 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kno n VAL 70 N -1.35 1.40 -0.92 0.00 0.24 -1.24 -3.72 118.33 112.75 3kno n VAL 70 Ca 0.00 -3.44 -0.25 0.00 -2.04 0.00 0.00 64.34 58.61 3kno n VAL 70 Cb 0.00 0.33 -0.09 0.00 -1.47 0.00 0.00 33.84 32.61 3kno n VAL 70 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3kno n THR 71 N -0.29 0.00 -1.73 3.34 -2.24 0.32 -4.48 114.28 109.20 3kno n THR 71 Ca 0.16 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.65 3kno n THR 71 Cb 0.80 -0.31 0.19 0.00 -2.10 0.00 0.00 70.33 68.91 3kno n THR 71 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kno s ARG 72 N 5.49 0.29 0.00 -0.78 0.52 -1.26 -3.08 118.95 120.13 3kno s ARG 72 Ca 0.83 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.44 3kno s ARG 72 Cb -0.77 -1.79 -0.07 0.00 0.52 0.00 0.00 34.95 32.83 3kno s ARG 72 CO 0.30 -2.67 1.70 0.00 0.02 0.00 0.00 175.30 174.66 3kno s ALA 73 N -3.67 3.63 0.28 2.13 0.00 0.13 -4.89 121.76 119.37 3kno s ALA 73 Ca 0.73 1.09 -0.00 0.00 0.00 0.00 0.00 51.96 53.77 3kno s ALA 73 Cb -0.06 -3.74 0.50 0.00 0.00 0.00 0.00 23.12 19.82 3kno s ALA 73 CO 0.54 -1.33 1.86 -0.22 0.00 0.00 0.00 175.76 176.61 3kno h LYS 74 N 9.32 1.04 0.00 0.00 3.64 -1.87 -3.40 116.57 125.29 3kno h LYS 74 Ca -0.42 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3kno h LYS 74 Cb 1.20 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3kno h LYS 74 CO 0.94 0.69 0.00 0.36 -2.27 0.00 0.00 179.45 179.17 3kno n LYS 75 N -4.56 0.43 -3.31 1.90 2.85 -1.26 -5.02 118.16 109.18 3kno n LYS 75 Ca 0.17 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.40 3kno n LYS 75 Cb 0.27 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.61 3kno n LYS 75 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3kno s SER 76 N 1.00 -0.61 -0.07 -5.58 1.04 -1.26 -3.44 113.70 104.78 3kno s SER 76 Ca 0.00 0.68 0.05 0.00 0.48 0.00 0.00 55.95 57.16 3kno s SER 76 Cb 0.00 1.68 -0.01 0.00 0.10 0.00 0.00 66.02 67.79 3kno s SER 76 CO 0.00 -0.27 -0.24 -0.63 0.98 0.00 0.00 173.24 173.08 3kno s ILE 77 N 2.71 2.09 -0.98 -1.02 -1.09 -1.25 -4.77 121.20 116.89 3kno s ILE 77 Ca 0.14 -1.04 0.09 0.00 -2.23 0.00 0.00 60.65 57.61 3kno s ILE 77 Cb -0.15 -1.77 0.18 0.00 -1.58 0.00 0.00 42.46 39.14 3kno s ILE 77 CO -0.18 0.57 1.03 -0.24 -1.23 0.00 0.00 174.94 174.89 3kno n SER 78 N 3.13 2.35 0.24 3.58 2.88 -1.25 -4.14 113.62 120.41 3kno n SER 78 Ca -0.18 -1.73 0.07 0.00 -1.33 0.00 0.00 58.87 55.70 3kno n SER 78 Cb 0.52 -0.11 0.56 0.00 -0.75 0.00 0.00 64.21 64.43 3kno n SER 78 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3kno h ASN 79 N 1.82 0.00 -3.17 -3.46 4.21 -1.95 -3.32 115.58 109.71 3kno h ASN 79 Ca 0.00 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 57.01 3kno h ASN 79 Cb 0.57 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 37.36 3kno h ASN 79 CO 0.00 0.12 -0.76 0.12 -1.29 0.00 0.00 177.43 175.62 3kno s PHE 80 N -4.75 0.77 0.00 1.19 2.19 -1.26 -5.12 117.98 111.00 3kno s PHE 80 Ca -0.04 -0.74 0.00 0.00 0.33 0.00 0.00 56.93 56.47 3kno s PHE 80 Cb 0.16 -0.95 0.00 0.00 -1.31 0.00 0.00 43.02 40.92 3kno s PHE 80 CO 0.68 -0.61 0.00 1.63 1.83 0.00 0.00 175.22 178.75 3kno n LYS 81 N 5.12 0.00 0.00 10.12 5.02 -1.25 -4.85 118.16 132.32 3kno n LYS 81 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3kno n LYS 81 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 3kno n LYS 81 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kno n LEU 82 N 0.00 0.00 0.00 -0.35 4.77 -1.26 -3.85 117.00 116.31 3kno n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kno n LEU 82 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kno n LEU 82 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 173.95 3kno n ARG 83 N 0.00 0.00 0.00 3.23 1.85 -1.26 -3.80 116.66 116.68 3kno n ARG 83 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3kno n ARG 83 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3kno n ARG 83 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3kno n LYS 84 N 0.00 0.00 0.00 2.89 5.02 -1.22 -4.59 118.16 120.26 3kno n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kno n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kno n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kno n GLY 85 N 0.00 -0.70 0.22 0.72 0.00 -1.26 -4.26 105.19 99.91 3kno n GLY 85 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 46.02 46.30 3kno n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kno n MET 86 N -0.38 -0.17 0.00 1.61 0.00 -1.26 0.22 117.12 117.13 3kno n MET 86 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 57.70 58.54 3kno n MET 86 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 33.22 31.98 3kno n MET 86 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3kno n PRO 87 N -4.76 0.00 -4.37 2.12 -0.02 -1.26 -4.39 135.00 122.32 3kno n PRO 87 Ca 0.04 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.23 3kno n PRO 87 Cb 0.19 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.55 3kno n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3kno s ILE 88 N 0.00 2.54 0.00 4.25 1.10 -1.26 -4.85 121.20 122.98 3kno s ILE 88 Ca 0.00 -1.62 0.00 0.00 -0.51 0.00 0.00 60.65 58.52 3kno s ILE 88 Cb 0.00 -2.14 0.00 0.00 0.15 0.00 0.00 42.46 40.47 3kno s ILE 88 CO 0.00 0.11 0.00 0.61 -2.11 0.00 0.00 174.94 173.55 3kno n GLY 89 N 0.90 0.76 3.34 1.50 0.00 -1.18 -4.32 105.19 106.20 3kno n GLY 89 Ca -0.17 0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3kno n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kno s LEU 90 N 0.00 2.97 0.01 0.99 1.43 -1.06 0.12 118.68 123.15 3kno s LEU 90 Ca 0.00 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3kno s LEU 90 Cb 0.00 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3kno s LEU 90 CO 0.00 -0.01 0.04 -0.60 0.23 0.00 0.00 176.35 176.02 3kno s ARG 91 N 1.41 0.36 -0.16 1.70 3.00 -1.24 -1.22 118.95 122.79 3kno s ARG 91 Ca 0.05 -0.47 -0.05 0.00 -1.00 0.00 0.00 55.73 54.25 3kno s ARG 91 Cb -0.14 0.14 0.08 0.00 0.00 0.00 0.00 34.95 35.03 3kno s ARG 91 CO -0.02 -0.07 0.31 0.54 0.00 0.00 0.00 175.30 176.06 3kno s VAL 92 N -1.32 -0.49 -0.17 7.11 0.11 -1.04 -0.91 120.40 123.70 3kno s VAL 92 Ca -0.14 0.20 -0.23 0.00 -2.93 0.00 0.00 61.98 58.87 3kno s VAL 92 Cb -0.08 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 3kno s VAL 92 CO 0.00 0.07 0.74 -0.89 -3.33 0.00 0.00 175.10 171.69 3kno s THR 93 N 2.48 4.95 -0.28 5.04 2.01 -1.26 -2.80 115.64 125.77 3kno s THR 93 Ca 0.02 1.45 -0.10 0.00 0.31 0.00 0.00 61.69 63.36 3kno s THR 93 Cb -0.13 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 3kno s THR 93 CO -0.10 0.09 0.17 -0.76 -0.69 0.00 0.00 174.62 173.32 3kno s LEU 94 N 1.88 3.96 0.17 4.42 1.43 0.24 -4.94 118.68 125.85 3kno s LEU 94 Ca 0.35 -0.15 0.09 0.00 -1.03 0.00 0.00 54.13 53.39 3kno s LEU 94 Cb -0.16 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3kno s LEU 94 CO 0.12 -0.08 -0.10 -0.13 0.23 0.00 0.00 176.35 176.40 3kno s ARG 95 N 1.71 2.06 0.00 1.70 0.52 -1.26 -0.64 118.95 123.04 3kno s ARG 95 Ca 0.07 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 3kno s ARG 95 Cb -0.16 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.14 3kno s ARG 95 CO 0.09 0.44 0.00 0.54 0.02 0.00 0.00 175.30 176.39 3kno n ARG 96 N 0.11 0.00 0.00 3.54 1.74 -1.26 -3.03 116.66 117.76 3kno n ARG 96 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3kno n ARG 96 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 3kno n ARG 96 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kno n ASP 97 N -2.41 0.00 -0.30 0.55 8.00 -1.26 0.33 116.55 121.46 3kno n ASP 97 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 3kno n ASP 97 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 3kno n ASP 97 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3kno h ARG 98 N 0.00 0.71 0.25 -1.24 2.47 -1.94 -1.29 114.38 113.35 3kno h ARG 98 Ca 0.00 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3kno h ARG 98 Cb 0.00 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 3kno h ARG 98 CO 0.00 0.47 -0.28 1.98 0.56 0.00 0.00 179.97 182.70 3kno h MET 99 N 0.73 -0.52 -0.14 0.04 1.85 0.53 -1.72 114.93 115.71 3kno h MET 99 Ca 0.43 0.04 0.05 0.00 -0.61 0.00 0.00 59.70 59.60 3kno h MET 99 Cb 0.50 0.12 -0.07 0.00 0.43 0.00 0.00 31.60 32.58 3kno h MET 99 CO -0.30 -0.35 -0.36 -1.49 -0.40 0.00 0.00 176.91 174.01 3kno h TRP 100 N -0.54 -1.02 -0.69 1.39 4.06 -1.32 -0.35 115.95 117.49 3kno h TRP 100 Ca -0.03 0.04 0.20 0.00 2.06 0.00 0.00 58.89 61.16 3kno h TRP 100 Cb 0.48 0.47 -0.03 0.00 -1.00 0.00 0.00 29.16 29.07 3kno h TRP 100 CO -0.20 -0.43 0.56 0.97 -3.56 0.00 0.00 178.44 175.78 3kno h ILE 101 N -0.43 0.49 0.08 1.49 -0.00 -1.23 0.10 117.51 118.01 3kno h ILE 101 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.95 3kno h ILE 101 Cb 0.58 0.59 0.00 0.00 -0.00 0.00 0.00 36.82 37.99 3kno h ILE 101 CO -0.38 0.00 -0.04 0.15 -0.00 0.00 0.00 178.15 177.89 3kno h PHE 102 N 0.00 -0.09 -1.06 2.19 -0.00 -0.12 -3.16 116.94 114.70 3kno h PHE 102 Ca 0.33 -0.00 0.29 0.00 -0.00 0.00 0.00 57.97 58.58 3kno h PHE 102 Cb 1.45 0.03 -0.11 0.00 -0.00 0.00 0.00 35.95 37.32 3kno h PHE 102 CO 0.00 -0.06 0.67 -0.07 -0.00 0.00 0.00 178.31 178.85 3kno h LEU 103 N -0.73 0.48 0.02 0.59 3.38 -0.98 0.82 115.31 118.89 3kno h LEU 103 Ca -0.01 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3kno h LEU 103 Cb 0.08 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3kno h LEU 103 CO 0.02 0.03 -0.32 -0.08 0.09 0.00 0.00 178.44 178.18 3kno h GLU 104 N 0.39 -0.40 0.00 1.13 4.81 -0.91 0.90 114.58 120.50 3kno h GLU 104 Ca 0.65 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.90 3kno h GLU 104 Cb 1.60 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 31.07 3kno h GLU 104 CO -0.39 -0.27 -0.05 0.87 -0.73 0.00 0.00 179.01 178.45 3kno h LYS 105 N -0.41 0.00 0.25 1.92 1.57 -0.30 -0.85 116.57 118.74 3kno h LYS 105 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kno h LYS 105 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3kno h LYS 105 CO -0.20 0.05 -0.12 1.25 -0.57 0.00 0.00 179.45 179.86 3kno h LEU 106 N 0.00 -0.28 -0.57 2.94 5.85 0.28 -0.20 115.31 123.32 3kno h LEU 106 Ca -0.00 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.36 3kno h LEU 106 Cb 0.10 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3kno h LEU 106 CO 0.01 0.09 -0.49 -0.07 -0.34 0.00 0.00 178.44 177.63 3kno h LEU 107 N -0.68 0.62 0.06 2.25 3.38 0.86 -0.23 115.31 121.58 3kno h LEU 107 Ca -0.03 -0.31 -0.26 0.00 0.09 0.00 0.00 57.88 57.36 3kno h LEU 107 Cb 0.47 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.07 3kno h LEU 107 CO 0.06 1.01 -1.06 0.78 0.09 0.00 0.00 178.44 179.31 3kno h ASN 108 N 0.45 0.83 0.00 -0.43 4.21 -1.19 -3.40 115.58 116.05 3kno h ASN 108 Ca 0.02 -0.79 0.00 0.00 1.21 0.00 0.00 56.30 56.74 3kno h ASN 108 Cb 1.02 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 3kno h ASN 108 CO 0.09 1.52 -0.69 0.52 -1.29 0.00 0.00 177.43 177.59 3kno n VAL 109 N -3.89 0.00 0.00 2.81 0.31 -0.19 -4.70 118.33 112.66 3kno n VAL 109 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3kno n VAL 109 Cb 0.90 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 3kno n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kno n ALA 110 N -1.49 0.00 -0.17 3.52 0.00 -0.59 -3.13 120.51 118.65 3kno n ALA 110 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3kno n ALA 110 Cb 0.32 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.78 3kno n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kno n LEU 111 N 0.00 -0.32 -0.30 0.00 4.77 -0.11 0.79 117.00 121.83 3kno n LEU 111 Ca 0.00 0.77 0.22 0.00 -0.03 0.00 0.00 56.01 56.97 3kno n LEU 111 Cb 0.00 -0.16 0.41 0.00 -2.33 0.00 0.00 43.42 41.34 3kno n LEU 111 CO 0.00 -0.68 0.86 -2.65 -1.33 0.00 0.00 177.39 173.58 3kno n PRO 112 N -4.63 -0.06 -2.82 3.23 -0.02 -1.25 -2.57 135.00 126.87 3kno n PRO 112 Ca 0.04 1.32 -0.35 0.00 -2.02 0.00 0.00 63.50 62.49 3kno n PRO 112 Cb 0.17 -2.23 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 3kno n PRO 112 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3kno n ARG 113 N -5.20 4.35 -2.13 -0.52 0.00 0.24 -4.95 116.66 108.44 3kno n ARG 113 Ca 0.29 -4.75 -0.27 0.00 -0.00 0.00 0.00 57.85 53.12 3kno n ARG 113 Cb 0.96 -2.37 0.10 0.00 0.00 0.00 0.00 32.46 31.15 3kno n ARG 113 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3kno s ILE 114 N -4.24 2.16 0.60 5.15 1.01 -1.06 -4.69 121.20 120.13 3kno s ILE 114 Ca 0.43 -0.20 0.29 0.00 0.00 0.00 0.00 60.65 61.16 3kno s ILE 114 Cb 0.22 -2.96 0.36 0.00 0.01 0.00 0.00 42.46 40.09 3kno s ILE 114 CO -0.12 0.00 1.90 0.03 0.00 0.00 0.00 174.94 176.75 3kno h ARG 115 N -0.86 0.00 0.00 2.79 3.08 -1.95 -3.40 114.38 114.03 3kno h ARG 115 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3kno h ARG 115 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3kno h ARG 115 CO 0.55 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.20 3kno n ASP 116 N -3.55 0.00 -0.49 7.04 9.92 -1.26 -5.18 116.55 123.03 3kno n ASP 116 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 3kno n ASP 116 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 3kno n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3kno n PHE 117 N -1.04 -1.28 -1.88 1.24 -0.00 -1.26 -4.96 117.46 108.28 3kno n PHE 117 Ca 0.00 0.67 0.00 0.00 -0.00 0.00 0.00 57.45 58.12 3kno n PHE 117 Cb 0.00 -1.96 0.00 0.00 -0.00 0.00 0.00 39.48 37.52 3kno n PHE 117 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3kno n ARG 118 N -0.48 0.00 0.00 -4.13 1.74 -1.26 -5.04 116.66 107.49 3kno n ARG 118 Ca 0.00 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3kno n ARG 118 Cb 0.00 -0.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 3kno n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kno n GLY 119 N 0.00 -0.36 0.00 -0.13 0.00 -1.26 -4.37 105.19 99.07 3kno n GLY 119 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3kno n GLY 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kno n LEU 120 N 0.00 0.00 -1.19 0.99 4.77 -1.10 -4.57 117.00 115.90 3kno n LEU 120 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 3kno n LEU 120 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3kno n LEU 120 CO 0.00 0.00 0.27 -3.20 -1.33 0.00 0.00 177.39 173.13 3kno n ASN 121 N 0.00 0.27 -1.62 -1.43 2.85 -1.26 -3.92 115.26 110.15 3kno n ASN 121 Ca 0.00 0.30 -0.11 0.00 -0.11 0.00 0.00 54.58 54.66 3kno n ASN 121 Cb 0.00 -0.22 0.06 0.00 1.24 0.00 0.00 39.78 40.85 3kno n ASN 121 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3kno n PRO 122 N 0.94 1.56 0.00 1.20 -0.04 -1.26 -3.55 135.00 133.85 3kno n PRO 122 Ca 0.08 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 3kno n PRO 122 Cb -0.01 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3kno n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kno n ASN 123 N 0.10 1.43 0.10 3.54 4.13 -1.26 -4.86 115.26 118.44 3kno n ASN 123 Ca 0.24 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.51 3kno n ASN 123 Cb 0.82 0.25 0.06 0.00 -1.54 0.00 0.00 39.78 39.37 3kno n ASN 123 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3kno n SER 124 N -0.55 0.06 -0.04 6.41 7.64 -1.23 -1.96 113.62 123.94 3kno n SER 124 Ca 0.00 0.24 -0.03 0.00 1.01 0.00 0.00 58.87 60.08 3kno n SER 124 Cb 0.04 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.11 3kno n SER 124 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3kno n PHE 125 N -1.55 0.07 -1.99 1.43 1.16 -1.26 -1.13 117.46 114.20 3kno n PHE 125 Ca -0.00 0.03 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 3kno n PHE 125 Cb 0.56 -0.25 0.00 0.00 -1.61 0.00 0.00 39.48 38.18 3kno n PHE 125 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3kno n ASP 126 N -3.28 -0.66 0.00 5.98 8.00 -0.83 -3.49 116.55 122.27 3kno n ASP 126 Ca -0.05 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.51 3kno n ASP 126 Cb 0.19 -1.76 0.00 0.00 -0.02 0.00 0.00 41.12 39.53 3kno n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kno n GLY 127 N 1.96 0.52 3.57 0.44 0.00 -1.26 -4.85 105.19 105.56 3kno n GLY 127 Ca 0.00 -0.01 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 3kno n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno n ARG 128 N 0.00 1.14 0.00 1.61 5.12 -1.23 -4.48 116.66 118.82 3kno n ARG 128 Ca 0.00 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 3kno n ARG 128 Cb 0.00 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 3kno n ARG 128 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kno n GLY 129 N 1.72 0.52 3.43 -0.13 0.00 -1.25 -4.74 105.19 104.74 3kno n GLY 129 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3kno n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno s ASN 130 N -0.51 2.14 0.01 1.61 4.22 -1.26 -2.56 114.94 118.59 3kno s ASN 130 Ca 0.00 -1.46 0.00 0.00 -2.14 0.00 0.00 52.86 49.26 3kno s ASN 130 Cb 0.00 0.14 -0.01 0.00 1.28 0.00 0.00 41.25 42.67 3kno s ASN 130 CO 0.00 -0.73 -0.01 -0.47 -2.04 0.00 0.00 177.10 173.85 3kno s TYR 131 N -3.40 0.10 0.12 1.54 5.04 0.59 -4.15 117.35 117.19 3kno s TYR 131 Ca 0.34 -0.18 0.10 0.00 -2.44 0.00 0.00 57.07 54.89 3kno s TYR 131 Cb 0.07 -0.07 -0.04 0.00 0.35 0.00 0.00 41.96 42.27 3kno s TYR 131 CO 0.15 -0.06 -0.24 -0.80 -1.34 0.00 0.00 175.55 173.26 3kno s ASN 132 N -0.51 3.52 -0.18 4.32 0.01 -0.28 0.11 114.94 121.94 3kno s ASN 132 Ca -0.05 -0.68 -0.28 0.00 -0.71 0.00 0.00 52.86 51.14 3kno s ASN 132 Cb -0.03 -0.34 0.08 0.00 0.41 0.00 0.00 41.25 41.36 3kno s ASN 132 CO -0.00 0.18 0.73 -1.48 -1.51 0.00 0.00 177.10 175.02 3kno s LEU 133 N -2.09 -0.68 -0.04 0.60 0.05 0.75 -4.67 118.68 112.60 3kno s LEU 133 Ca 0.15 1.08 0.01 0.00 0.05 0.00 0.00 54.13 55.42 3kno s LEU 133 Cb -0.10 2.44 -0.03 0.00 -2.05 0.00 0.00 46.19 46.44 3kno s LEU 133 CO 0.07 -0.39 -0.05 -0.83 -0.55 0.00 0.00 176.35 174.61 3kno s GLY 134 N -0.32 1.76 -0.27 -3.48 0.00 -1.26 0.02 107.32 103.76 3kno s GLY 134 Ca -0.04 -0.91 -0.08 0.00 0.00 0.00 0.00 44.72 43.68 3kno s GLY 134 CO 0.04 -0.72 0.11 1.08 0.00 0.00 0.00 173.10 173.61 3kno s LEU 135 N -1.07 3.74 0.65 0.66 1.02 -0.38 -4.97 118.68 118.33 3kno s LEU 135 Ca 0.15 -0.30 0.43 0.00 0.02 0.00 0.00 54.13 54.42 3kno s LEU 135 Cb -0.11 -1.97 2.26 0.00 0.02 0.00 0.00 46.19 46.39 3kno s LEU 135 CO 0.04 -0.09 2.31 0.03 0.02 0.00 0.00 176.35 178.66 3kno h ARG 136 N 8.29 0.00 0.00 1.70 3.08 -1.89 -2.40 114.38 123.15 3kno h ARG 136 Ca -0.36 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.30 3kno h ARG 136 Cb 1.17 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.11 3kno h ARG 136 CO 0.59 0.00 -0.33 0.39 -1.07 0.00 0.00 179.97 179.55 3kno n GLU 137 N -3.08 0.53 -0.00 0.04 1.02 -1.11 -4.28 120.64 113.76 3kno n GLU 137 Ca -0.02 -3.08 0.01 0.00 -0.02 0.00 0.00 57.16 54.05 3kno n GLU 137 Cb 0.11 2.70 -0.01 0.00 -0.02 0.00 0.00 31.44 34.21 3kno n GLU 137 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kno n GLN 138 N -0.60 4.27 -0.02 3.49 0.00 -1.26 -4.55 117.38 118.70 3kno n GLN 138 Ca 0.05 -0.01 0.13 0.00 0.00 0.00 0.00 57.00 57.18 3kno n GLN 138 Cb 0.59 -0.74 0.55 0.00 0.00 0.00 0.00 30.24 30.64 3kno n GLN 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 3kno n LEU 139 N -1.22 1.30 0.06 2.61 -0.00 -1.26 -3.55 117.00 114.94 3kno n LEU 139 Ca 0.00 -0.46 0.04 0.00 -0.00 0.00 0.00 56.01 55.59 3kno n LEU 139 Cb 0.03 -0.02 0.23 0.00 -0.00 0.00 0.00 43.42 43.66 3kno n LEU 139 CO 0.03 0.23 0.64 -0.38 -0.00 0.00 0.00 177.39 177.91 3kno n ILE 140 N 0.03 1.58 -3.55 1.47 5.41 -1.26 -4.60 119.36 118.43 3kno n ILE 140 Ca 0.19 0.54 -0.28 0.00 1.00 0.00 0.00 62.75 64.20 3kno n ILE 140 Cb 0.31 -1.52 -0.03 0.00 -0.71 0.00 0.00 39.64 37.68 3kno n ILE 140 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3kno s PHE 141 N -3.19 3.48 0.00 1.39 0.08 -1.23 -3.85 117.98 114.66 3kno s PHE 141 Ca -0.00 0.48 -0.23 0.00 0.12 0.00 0.00 56.93 57.31 3kno s PHE 141 Cb 0.03 -1.97 -0.12 0.00 -0.57 0.00 0.00 43.02 40.39 3kno s PHE 141 CO 0.10 0.30 1.00 -1.00 -0.10 0.00 0.00 175.22 175.51 3kno h PRO 142 N 1.94 -0.78 -0.24 0.24 0.13 -1.87 -3.34 132.00 128.08 3kno h PRO 142 Ca -0.48 0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.73 3kno h PRO 142 Cb 1.19 0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 3kno h PRO 142 CO 0.68 -0.52 -0.12 0.39 -0.23 0.00 0.00 178.00 178.19 3kno n GLU 143 N -5.03 -0.09 -3.50 0.86 -0.58 -1.26 -4.28 120.64 106.75 3kno n GLU 143 Ca -0.10 0.36 -0.37 0.00 -0.42 0.00 0.00 57.16 56.62 3kno n GLU 143 Cb 0.32 -0.53 -0.06 0.00 -0.57 0.00 0.00 31.44 30.60 3kno n GLU 143 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 3kno s ILE 144 N -5.15 5.18 0.00 -3.67 1.10 -1.26 -5.02 121.20 112.38 3kno s ILE 144 Ca -0.03 0.74 0.00 0.00 -0.51 0.00 0.00 60.65 60.85 3kno s ILE 144 Cb 0.03 -3.69 0.00 0.00 0.15 0.00 0.00 42.46 38.95 3kno s ILE 144 CO 0.15 0.47 0.00 0.35 -2.11 0.00 0.00 174.94 173.81 3kno n THR 145 N 2.73 0.00 0.01 4.00 -2.24 -1.26 -4.81 114.28 112.72 3kno n THR 145 Ca -0.12 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.64 3kno n THR 145 Cb 0.52 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3kno n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kno n TYR 146 N 0.00 0.00 0.37 4.78 9.36 -1.26 -4.67 117.16 125.75 3kno n TYR 146 Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 3kno n TYR 146 Cb 0.00 -0.08 0.19 0.00 -0.63 0.00 0.00 39.34 38.82 3kno n TYR 146 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3kno n ASP 147 N -3.35 0.00 -4.02 2.98 5.68 -1.26 -3.77 116.55 112.81 3kno n ASP 147 Ca -0.02 0.06 -0.43 0.00 -0.50 0.00 0.00 54.79 53.90 3kno n ASP 147 Cb 0.08 -0.20 0.01 0.00 -1.14 0.00 0.00 41.12 39.87 3kno n ASP 147 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 3kno n MET 148 N -1.20 4.46 -3.49 0.11 1.56 -1.26 -4.94 117.12 112.35 3kno n MET 148 Ca 0.04 -4.55 -0.16 0.00 -0.27 0.00 0.00 57.70 52.76 3kno n MET 148 Cb 0.05 -2.51 -0.05 0.00 2.15 0.00 0.00 33.22 32.86 3kno n MET 148 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 3kno s VAL 149 N -2.75 0.00 -1.13 1.12 -7.23 -1.25 -4.71 120.40 104.45 3kno s VAL 149 Ca 0.31 0.00 0.24 0.00 -1.81 0.00 0.00 61.98 60.72 3kno s VAL 149 Cb 0.04 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 3kno s VAL 149 CO 0.10 0.00 1.25 -0.90 -0.31 0.00 0.00 175.10 175.24 3kno n ASP 150 N 0.46 0.80 0.00 4.85 5.75 -1.26 -5.03 116.55 122.12 3kno n ASP 150 Ca -0.18 -0.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 3kno n ASP 150 Cb 0.60 0.49 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 3kno n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kno n ALA 151 N -1.33 0.00 -1.68 2.12 0.00 -1.26 -5.16 120.51 113.19 3kno n ALA 151 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 3kno n ALA 151 Cb 0.34 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.95 3kno n ALA 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kno n LEU 152 N 0.00 0.00 0.00 0.00 7.94 -1.26 -4.99 117.00 118.69 3kno n LEU 152 Ca 0.00 -1.12 -0.03 0.00 -1.11 0.00 0.00 56.01 53.75 3kno n LEU 152 Cb 0.00 -0.79 0.02 0.00 0.53 0.00 0.00 43.42 43.18 3kno n LEU 152 CO 0.00 -1.27 0.62 -1.14 -1.11 0.00 0.00 177.39 174.50 3kno n ARG 153 N -3.23 0.55 -3.37 1.96 3.00 -1.26 -4.97 116.66 109.34 3kno n ARG 153 Ca 0.13 -1.23 0.02 0.00 -0.00 0.00 0.00 57.85 56.77 3kno n ARG 153 Cb 0.45 1.65 -0.03 0.00 0.00 0.00 0.00 32.46 34.53 3kno n ARG 153 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3kno s GLY 154 N -3.08 -0.44 0.02 5.14 0.00 -1.25 -2.76 107.32 104.95 3kno s GLY 154 Ca 0.18 2.69 0.09 0.00 0.00 0.00 0.00 44.72 47.67 3kno s GLY 154 CO 0.05 3.32 -0.25 -3.16 0.00 0.00 0.00 173.10 173.06 3kno s MET 155 N 2.68 1.93 -0.35 2.90 0.23 -0.90 -4.58 119.30 121.20 3kno s MET 155 Ca 0.00 -1.04 -0.18 0.00 -1.03 0.00 0.00 55.69 53.45 3kno s MET 155 Cb -0.09 -2.03 -0.00 0.00 -1.53 0.00 0.00 34.83 31.18 3kno s MET 155 CO -0.17 0.53 0.49 -0.51 -2.03 0.00 0.00 175.02 173.33 3kno s ASP 156 N -1.07 6.30 -0.13 -1.18 1.01 0.58 -1.25 116.67 120.92 3kno s ASP 156 Ca 0.11 -0.08 -0.06 0.00 0.71 0.00 0.00 52.55 53.24 3kno s ASP 156 Cb -0.10 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 3kno s ASP 156 CO 0.01 -0.47 0.08 -0.63 0.21 0.00 0.00 175.17 174.38 3kno s ILE 157 N 2.34 5.00 -0.14 0.77 1.01 0.10 0.15 121.20 130.44 3kno s ILE 157 Ca 0.18 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.86 3kno s ILE 157 Cb -0.16 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.15 3kno s ILE 157 CO 0.13 0.56 -0.16 0.00 0.00 0.00 0.00 174.94 175.48 3kno s ALA 158 N -0.54 1.88 -0.47 9.38 0.00 -1.20 -0.18 121.76 130.64 3kno s ALA 158 Ca 0.11 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 3kno s ALA 158 Cb -0.12 -0.99 0.08 0.00 0.00 0.00 0.00 23.12 22.09 3kno s ALA 158 CO 0.02 -0.25 0.37 0.14 0.00 0.00 0.00 175.76 176.04 3kno s VAL 159 N 1.25 5.01 0.11 0.00 -7.23 0.30 -1.78 120.40 118.07 3kno s VAL 159 Ca 0.00 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.89 3kno s VAL 159 Cb -0.14 -4.02 -0.06 0.00 0.56 0.00 0.00 36.38 32.72 3kno s VAL 159 CO -0.07 -0.58 0.47 -0.69 -0.31 0.00 0.00 175.10 173.91 3kno s VAL 160 N 1.59 4.99 0.15 1.32 1.01 0.18 -0.30 120.40 129.34 3kno s VAL 160 Ca 0.04 0.61 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 3kno s VAL 160 Cb -0.24 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3kno s VAL 160 CO 0.05 0.26 0.38 -0.89 0.00 0.00 0.00 175.10 174.90 3kno s THR 161 N -1.44 0.07 -1.61 3.92 2.01 -1.06 -1.97 115.64 115.56 3kno s THR 161 Ca 0.36 -0.93 0.28 0.00 0.31 0.00 0.00 61.69 61.70 3kno s THR 161 Cb -0.14 -1.48 0.58 0.00 0.01 0.00 0.00 72.50 71.47 3kno s THR 161 CO 0.19 -0.30 1.96 1.07 -0.69 0.00 0.00 174.62 176.84 3kno n THR 162 N -0.23 0.08 -0.70 -0.82 5.66 -1.19 -4.48 114.28 112.61 3kno n THR 162 Ca -0.12 0.02 -0.31 0.00 -3.05 0.00 0.00 64.05 60.59 3kno n THR 162 Cb 0.63 -0.57 0.16 0.00 -1.55 0.00 0.00 70.33 68.99 3kno n THR 162 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kno n ALA 163 N -1.19 -1.30 -0.97 1.79 0.00 -1.26 -4.88 120.51 112.70 3kno n ALA 163 Ca 0.16 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3kno n ALA 163 Cb 0.18 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3kno n ALA 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kno n GLU 164 N -3.62 0.00 -1.63 0.00 1.02 -1.26 -3.75 120.64 111.39 3kno n GLU 164 Ca 0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 3kno n GLU 164 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.95 3kno n GLU 164 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kno n THR 165 N -1.05 2.34 0.01 2.62 -2.24 -1.26 -4.12 114.28 110.58 3kno n THR 165 Ca 0.00 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.45 3kno n THR 165 Cb 0.00 -1.26 0.64 0.00 -2.10 0.00 0.00 70.33 67.61 3kno n THR 165 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3kno h ASP 166 N 1.83 0.09 -0.08 3.42 -0.00 -1.85 -2.01 116.42 117.81 3kno h ASP 166 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 56.56 3kno h ASP 166 Cb 1.32 -0.02 -0.00 0.00 -0.00 0.00 0.00 39.33 40.64 3kno h ASP 166 CO 0.59 0.05 -0.05 -0.33 -0.00 0.00 0.00 179.24 179.50 3kno h GLU 167 N 0.10 0.17 -0.89 0.28 3.07 -1.88 -1.16 114.58 114.27 3kno h GLU 167 Ca 0.23 -0.08 0.17 0.00 -0.50 0.00 0.00 59.36 59.18 3kno h GLU 167 Cb 0.78 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.61 3kno h GLU 167 CO -0.02 0.56 0.58 0.93 -1.40 0.00 0.00 179.01 179.66 3kno h GLU 168 N -0.22 0.53 0.00 2.33 5.08 -1.73 -0.68 114.58 119.90 3kno h GLU 168 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kno h GLU 168 Cb 0.52 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kno h GLU 168 CO 0.01 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 178.37 3kno n ALA 169 N -2.47 -0.47 -1.49 3.43 0.00 -0.94 -3.43 120.51 115.14 3kno n ALA 169 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 3kno n ALA 169 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 3kno n ALA 169 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kno n ARG 170 N -1.92 0.22 0.00 0.00 3.00 -0.26 -1.63 116.66 116.07 3kno n ARG 170 Ca 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 57.85 56.77 3kno n ARG 170 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 32.46 29.20 3kno n ARG 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kno n ALA 171 N 16.52 0.00 -0.24 5.13 0.00 -1.25 -4.83 120.51 135.85 3kno n ALA 171 Ca 0.40 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.87 3kno n ALA 171 Cb 0.43 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.15 3kno n ALA 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kno h LEU 172 N 0.00 0.84 0.12 0.00 5.85 -1.33 -1.60 115.31 119.19 3kno h LEU 172 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kno h LEU 172 Cb 0.00 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3kno h LEU 172 CO 0.00 0.58 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.55 3kno h LEU 173 N 0.98 -0.13 -0.15 2.25 3.38 -1.86 -3.31 115.31 116.47 3kno h LEU 173 Ca 0.32 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.31 3kno h LEU 173 Cb 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3kno h LEU 173 CO -0.09 0.02 -0.09 1.21 0.09 0.00 0.00 178.44 179.58 3kno n GLU 174 N -3.07 -0.07 -0.33 1.13 2.13 -1.18 -1.59 120.64 117.65 3kno n GLU 174 Ca -0.02 1.03 0.06 0.00 0.66 0.00 0.00 57.16 58.89 3kno n GLU 174 Cb 0.06 -1.54 0.13 0.00 0.27 0.00 0.00 31.44 30.37 3kno n GLU 174 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3kno n LEU 175 N -3.31 -0.32 0.00 4.31 4.32 -0.61 0.24 117.00 121.64 3kno n LEU 175 Ca 0.00 1.57 0.00 0.00 -0.02 0.00 0.00 56.01 57.57 3kno n LEU 175 Cb 0.04 -0.48 0.02 0.00 -1.62 0.00 0.00 43.42 41.38 3kno n LEU 175 CO -0.02 -1.51 0.15 0.18 -1.22 0.00 0.00 177.39 174.96 3kno n LEU 176 N -5.49 0.00 -0.92 2.23 4.77 -0.62 -4.72 117.00 112.26 3kno n LEU 176 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3kno n LEU 176 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3kno n LEU 176 CO -0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 3kno n GLY 177 N -0.29 0.68 3.27 -0.72 0.00 0.67 -5.03 105.19 103.78 3kno n GLY 177 Ca 0.01 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 3kno n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kno s PHE 178 N -2.61 3.90 -0.61 1.61 0.40 0.66 -4.86 117.98 116.47 3kno s PHE 178 Ca 0.00 -2.45 -0.37 0.00 -0.60 0.00 0.00 56.93 53.51 3kno s PHE 178 Cb 0.00 -3.67 -0.18 0.00 0.51 0.00 0.00 43.02 39.69 3kno s PHE 178 CO 0.00 -0.92 2.33 -2.30 0.70 0.00 0.00 175.22 175.02 3kno n PRO 179 N 3.28 0.27 -4.03 0.24 -0.02 -1.26 -4.57 135.00 128.92 3kno n PRO 179 Ca 0.17 0.06 -0.34 0.00 -2.02 0.00 0.00 63.50 61.37 3kno n PRO 179 Cb 0.42 -1.80 -0.15 0.00 -0.02 0.00 0.00 33.50 31.95 3kno n PRO 179 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3kno s PHE 180 N 7.48 2.99 -0.84 6.00 2.99 -1.26 -2.70 117.98 132.63 3kno s PHE 180 Ca 1.21 -1.64 -0.07 0.00 0.00 0.00 0.00 56.93 56.44 3kno s PHE 180 Cb -1.23 -2.00 -0.11 0.00 0.00 0.00 0.00 43.02 39.69 3kno s PHE 180 CO 0.55 -0.76 2.60 -2.13 -0.00 0.00 0.00 175.22 175.48 3kno n ARG 181 N 4.63 2.39 0.00 0.44 0.63 -1.25 -4.73 116.66 118.76 3kno n ARG 181 Ca -0.18 -1.46 0.00 0.00 -0.92 0.00 0.00 57.85 55.29 3kno n ARG 181 Cb 0.48 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.01 3kno n ARG 181 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29