#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld n ALA 2 N 0.00 3.24 -2.58 3.04 0.00 -1.26 -4.82 120.51 118.13 1bld n ALA 2 Ca 0.00 -0.81 -0.41 0.00 0.00 0.00 0.00 53.44 52.22 1bld n ALA 2 Cb 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.28 1bld n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bld s GLU 3 N -1.39 3.75 0.00 0.00 2.02 -1.26 -5.00 118.70 116.83 1bld s GLU 3 Ca 0.19 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.22 1bld s GLU 3 Cb 0.15 -3.77 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1bld s GLU 3 CO 0.05 -0.61 0.42 0.41 0.02 0.00 0.00 175.26 175.55 1bld n GLY 4 N 4.64 -3.00 0.00 -1.39 0.00 -1.26 -4.96 105.19 99.22 1bld n GLY 4 Ca -0.03 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1bld n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bld n GLU 5 N -0.61 0.00 -0.50 1.61 1.02 -1.26 -5.06 120.64 115.84 1bld n GLU 5 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1bld n GLU 5 Cb 0.00 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 31.70 1bld n GLU 5 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1bld s ILE 6 N 0.43 1.35 -0.41 -3.67 -5.25 -1.26 -5.01 121.20 107.38 1bld s ILE 6 Ca 0.00 0.00 0.09 0.00 -0.99 0.00 0.00 60.65 59.75 1bld s ILE 6 Cb 0.00 -2.14 0.32 0.00 2.95 0.00 0.00 42.46 43.59 1bld s ILE 6 CO 0.00 0.00 0.82 0.41 -1.79 0.00 0.00 174.94 174.38 1bld n THR 7 N -5.44 -0.19 -3.07 8.37 -1.04 -1.26 -4.99 114.28 106.66 1bld n THR 7 Ca 0.12 -3.40 -0.18 0.00 -2.04 0.00 0.00 64.05 58.54 1bld n THR 7 Cb 0.59 0.10 -0.02 0.00 -1.82 0.00 0.00 70.33 69.18 1bld n THR 7 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1bld n THR 8 N 0.59 -0.37 -0.06 12.58 5.66 -1.26 -4.98 114.28 126.44 1bld n THR 8 Ca 0.18 -3.52 -0.08 0.00 -3.05 0.00 0.00 64.05 57.57 1bld n THR 8 Cb 0.65 -0.58 -0.02 0.00 -1.55 0.00 0.00 70.33 68.83 1bld n THR 8 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1bld h LEU 9 N 3.62 0.01 0.00 1.09 3.38 -2.02 -3.43 115.31 117.96 1bld h LEU 9 Ca 0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1bld h LEU 9 Cb 0.95 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1bld h LEU 9 CO 0.42 0.04 0.00 -0.81 0.09 0.00 0.00 178.44 178.17 1bld n PRO 10 N -5.09 -1.39 -3.33 1.13 -0.05 -1.26 -5.04 135.00 119.97 1bld n PRO 10 Ca -0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 63.50 63.22 1bld n PRO 10 Cb 0.11 0.00 -0.08 0.00 -0.05 0.00 0.00 33.50 33.47 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bld s ALA 11 N -2.50 0.25 -0.18 0.55 0.00 -1.26 -4.99 121.76 113.62 1bld s ALA 11 Ca 0.00 -1.57 -0.19 0.00 0.00 0.00 0.00 51.96 50.21 1bld s ALA 11 Cb 0.00 -1.88 -0.21 0.00 0.00 0.00 0.00 23.12 21.03 1bld s ALA 11 CO 0.00 -2.10 0.29 -0.07 0.00 0.00 0.00 175.76 173.88 1bld h LEU 12 N 6.43 0.11 -9.03 0.00 4.07 -1.96 -3.45 115.31 111.48 1bld h LEU 12 Ca 0.12 -0.64 -0.57 0.00 0.08 0.00 0.00 57.88 56.87 1bld h LEU 12 Cb 1.00 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.68 1bld h LEU 12 CO 0.24 1.56 1.20 -2.16 -1.08 0.00 0.00 178.44 178.20 1bld s PRO 13 N -2.41 3.67 -0.31 1.13 0.05 -1.26 -4.90 135.00 130.98 1bld s PRO 13 Ca -0.26 1.75 -0.07 0.00 0.05 0.00 0.00 61.00 62.47 1bld s PRO 13 Cb 0.06 -4.11 0.19 0.00 0.05 0.00 0.00 34.50 30.68 1bld s PRO 13 CO 0.64 -1.45 0.94 -2.00 0.05 0.00 0.00 177.00 175.19 1bld s GLU 14 N 5.01 0.26 0.00 4.56 -6.30 -1.26 -5.09 118.70 115.88 1bld s GLU 14 Ca 0.78 0.15 0.00 0.00 -2.50 0.00 0.00 54.97 53.40 1bld s GLU 14 Cb -0.27 0.09 0.00 0.00 0.00 0.00 0.00 34.13 33.95 1bld s GLU 14 CO 0.32 -0.45 0.25 -0.25 0.02 0.00 0.00 175.26 175.15 1bld n ASP 15 N 4.88 0.00 -2.72 -1.70 9.92 -1.26 -4.77 116.55 120.89 1bld n ASP 15 Ca 0.08 0.25 -0.06 0.00 -0.53 0.00 0.00 54.79 54.53 1bld n ASP 15 Cb 0.58 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.11 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bld n GLY 16 N -0.40 -0.64 0.00 0.44 0.00 -1.26 -5.14 105.19 98.20 1bld n GLY 16 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1bld n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bld n GLY 17 N 1.74 0.71 2.95 -0.02 0.00 -1.26 -4.95 105.19 104.37 1bld n GLY 17 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 1bld n GLY 17 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bld n SER 18 N 0.00 -7.33 0.00 1.61 2.88 -1.26 -4.72 113.62 104.79 1bld n SER 18 Ca 0.00 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1bld n SER 18 Cb 0.00 -3.55 0.00 0.00 -0.75 0.00 0.00 64.21 59.91 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bld n GLY 19 N 0.96 1.09 0.00 0.46 0.00 -1.26 -4.88 105.19 101.56 1bld n GLY 19 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1bld n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bld n ALA 20 N 0.00 1.08 -3.80 4.61 0.00 -1.26 -5.04 120.51 116.10 1bld n ALA 20 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1bld n ALA 20 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1bld n ALA 20 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bld n PHE 21 N -0.57 -1.64 -0.68 0.00 -1.74 -1.26 -4.88 117.46 106.69 1bld n PHE 21 Ca 0.00 0.53 -0.29 0.00 -0.56 0.00 0.00 57.45 57.13 1bld n PHE 21 Cb 0.00 -2.48 0.23 0.00 1.52 0.00 0.00 39.48 38.75 1bld n PHE 21 CO 0.00 0.00 0.00 -2.14 -0.56 0.00 0.00 176.76 174.06 1bld s PRO 22 N -5.49 -0.47 0.50 3.97 0.02 -1.26 -4.92 135.00 127.35 1bld s PRO 22 Ca 0.14 0.86 -0.23 0.00 0.02 0.00 0.00 61.00 61.79 1bld s PRO 22 Cb -0.08 -1.60 -0.07 0.00 0.02 0.00 0.00 34.50 32.77 1bld s PRO 22 CO 0.83 -3.43 1.23 -2.30 -0.33 0.00 0.00 177.00 173.00 1bld n PRO 23 N -4.71 1.62 0.00 5.54 -0.01 -1.26 -4.54 135.00 131.63 1bld n PRO 23 Ca 0.04 0.59 0.00 0.00 -0.01 0.00 0.00 63.50 64.12 1bld n PRO 23 Cb 0.54 -2.39 0.00 0.00 -0.01 0.00 0.00 33.50 31.65 1bld n PRO 23 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bld n GLY 24 N 0.91 -0.40 0.00 -1.23 0.00 -1.26 -4.89 105.19 98.31 1bld n GLY 24 Ca 0.09 0.24 0.05 0.00 0.00 0.00 0.00 46.02 46.40 1bld n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bld n HIS 25 N 0.00 0.00 -0.57 1.61 8.25 -1.26 -3.29 115.22 119.96 1bld n HIS 25 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1bld n HIS 25 Cb 0.00 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 30.75 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1bld n PHE 26 N -1.33 0.00 -0.87 4.41 3.01 -1.26 -3.38 117.46 118.04 1bld n PHE 26 Ca 0.04 -1.05 0.02 0.00 1.01 0.00 0.00 57.45 57.47 1bld n PHE 26 Cb 0.09 -0.68 0.03 0.00 -0.01 0.00 0.00 39.48 38.90 1bld n PHE 26 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1bld n LYS 27 N 1.69 1.20 -3.76 -1.08 4.76 -1.21 -4.80 118.16 114.97 1bld n LYS 27 Ca 0.07 -1.28 -0.13 0.00 -2.87 0.00 0.00 58.31 54.10 1bld n LYS 27 Cb 0.56 -0.84 -0.09 0.00 -1.84 0.00 0.00 35.03 32.82 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bld s ASP 28 N -1.02 -0.20 1.13 4.39 1.11 -1.22 -5.05 116.67 115.82 1bld s ASP 28 Ca 0.06 0.10 -0.14 0.00 0.18 0.00 0.00 52.55 52.75 1bld s ASP 28 Cb 0.05 0.32 0.22 0.00 1.07 0.00 0.00 42.92 44.58 1bld s ASP 28 CO 0.01 -0.44 0.71 -2.65 1.18 0.00 0.00 175.17 173.97 1bld n PRO 29 N 1.33 -1.97 -3.84 8.23 -0.01 -1.26 -4.62 135.00 132.86 1bld n PRO 29 Ca -0.21 -0.55 -0.12 0.00 -0.01 0.00 0.00 63.50 62.61 1bld n PRO 29 Cb 0.56 -2.03 -0.13 0.00 -0.01 0.00 0.00 33.50 31.88 1bld n PRO 29 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 1bld s LYS 30 N -4.10 0.08 -0.22 -0.52 1.02 -1.05 -2.42 119.74 112.53 1bld s LYS 30 Ca 0.64 0.12 -0.20 0.00 0.02 0.00 0.00 55.97 56.55 1bld s LYS 30 Cb -0.21 0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.09 1bld s LYS 30 CO 0.65 -0.03 0.61 1.03 -0.92 0.00 0.00 175.35 176.69 1bld s ARG 31 N 0.15 4.17 -0.77 1.68 0.52 -0.12 -4.00 118.95 120.58 1bld s ARG 31 Ca -0.01 0.55 -0.23 0.00 -0.52 0.00 0.00 55.73 55.51 1bld s ARG 31 Cb -0.02 -3.60 0.07 0.00 0.52 0.00 0.00 34.95 31.92 1bld s ARG 31 CO -0.00 -0.29 1.14 -0.51 0.02 0.00 0.00 175.30 175.66 1bld s LEU 32 N 2.08 4.02 -0.37 2.53 1.43 -1.26 -1.03 118.68 126.08 1bld s LEU 32 Ca 0.27 -1.05 -0.17 0.00 -1.03 0.00 0.00 54.13 52.15 1bld s LEU 32 Cb -0.16 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 1bld s LEU 32 CO 0.10 -1.51 0.44 -0.47 0.23 0.00 0.00 176.35 175.13 1bld s TYR 33 N 4.46 3.19 -0.28 0.29 5.04 -1.24 -2.60 117.35 126.20 1bld s TYR 33 Ca 0.30 -0.04 -0.26 0.00 -2.44 0.00 0.00 57.07 54.63 1bld s TYR 33 Cb -0.10 -2.83 0.01 0.00 0.35 0.00 0.00 41.96 39.38 1bld s TYR 33 CO 0.06 -0.54 0.92 0.00 -1.34 0.00 0.00 175.55 174.65 1bld h LYS 35 N 7.90 0.00 -5.80 0.00 3.64 -1.87 -2.51 116.57 117.93 1bld h LYS 35 Ca -0.22 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.55 1bld h LYS 35 Cb 1.08 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.78 1bld h LYS 35 CO 0.94 0.00 0.59 -0.80 -2.27 0.00 0.00 179.45 177.91 1bld s ASN 36 N -4.70 6.29 0.00 4.20 -0.87 -1.26 -3.62 114.94 114.98 1bld s ASN 36 Ca 0.02 -0.50 0.00 0.00 -1.57 0.00 0.00 52.86 50.81 1bld s ASN 36 Cb 0.09 -2.44 0.00 0.00 -0.02 0.00 0.00 41.25 38.88 1bld s ASN 36 CO 0.42 -1.31 0.00 0.61 -2.57 0.00 0.00 177.10 174.25 1bld n GLY 37 N 5.18 0.76 3.18 0.66 0.00 -1.26 -4.35 105.19 109.36 1bld n GLY 37 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1bld n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bld n GLY 38 N -2.48 -0.83 2.91 -0.02 0.00 -1.06 -5.00 105.19 98.71 1bld n GLY 38 Ca 0.00 0.83 -0.13 0.00 0.00 0.00 0.00 46.02 46.71 1bld n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bld s PHE 39 N -1.65 -0.12 -0.35 1.61 0.08 -0.97 -4.69 117.98 111.89 1bld s PHE 39 Ca 0.21 0.38 -0.17 0.00 0.12 0.00 0.00 56.93 57.47 1bld s PHE 39 Cb -0.03 -0.08 -0.01 0.00 -0.57 0.00 0.00 43.02 42.34 1bld s PHE 39 CO 0.64 -0.13 0.47 -0.06 -0.10 0.00 0.00 175.22 176.04 1bld s PHE 40 N 0.87 3.19 0.36 0.36 0.40 -0.66 -0.98 117.98 121.52 1bld s PHE 40 Ca -0.07 0.11 -0.25 0.00 -0.60 0.00 0.00 56.93 56.12 1bld s PHE 40 Cb -0.09 -2.85 -0.13 0.00 0.51 0.00 0.00 43.02 40.46 1bld s PHE 40 CO -0.04 -0.51 0.75 -0.11 0.70 0.00 0.00 175.22 176.01 1bld n LEU 41 N 5.63 0.78 -3.58 -0.37 7.94 -1.07 -1.38 117.00 124.94 1bld n LEU 41 Ca -0.06 1.03 -0.10 0.00 -1.11 0.00 0.00 56.01 55.77 1bld n LEU 41 Cb 0.49 -1.18 -0.10 0.00 0.53 0.00 0.00 43.42 43.15 1bld n LEU 41 CO 0.44 -2.25 -0.05 -0.60 -1.11 0.00 0.00 177.39 173.82 1bld s ARG 42 N -1.58 0.27 -0.16 1.96 3.52 -0.18 -4.68 118.95 118.11 1bld s ARG 42 Ca 0.62 0.80 -0.20 0.00 -0.13 0.00 0.00 55.73 56.82 1bld s ARG 42 Cb -0.66 -0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 32.66 1bld s ARG 42 CO 0.58 -0.37 0.58 0.42 -0.81 0.00 0.00 175.30 175.69 1bld s ILE 43 N 2.53 5.09 0.32 4.11 1.01 -1.26 -1.88 121.20 131.11 1bld s ILE 43 Ca 0.03 1.12 -0.11 0.00 0.00 0.00 0.00 60.65 61.69 1bld s ILE 43 Cb -0.13 -3.90 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 1bld s ILE 43 CO -0.12 0.20 0.68 -1.00 0.00 0.00 0.00 174.94 174.70 1bld s HIS 44 N 1.34 3.43 0.63 3.97 3.76 -0.96 -4.85 115.29 122.61 1bld s HIS 44 Ca 0.28 1.01 0.35 0.00 -0.15 0.00 0.00 55.06 56.55 1bld s HIS 44 Cb -0.16 -2.38 1.98 0.00 1.11 0.00 0.00 32.58 33.13 1bld s HIS 44 CO 0.11 0.09 2.21 -1.00 -0.85 0.00 0.00 174.74 175.30 1bld h PRO 45 N 1.95 0.00 0.00 8.40 0.13 -1.94 0.34 132.00 140.88 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bld h PRO 45 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bld h PRO 45 CO 0.66 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 1bld n ASP 46 N -3.43 0.00 0.00 1.44 5.68 -1.26 -4.82 116.55 114.16 1bld n ASP 46 Ca -0.02 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1bld n ASP 46 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1bld n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 47 N 0.27 1.97 3.21 6.12 0.00 0.11 -4.96 105.19 111.90 1bld n GLY 47 Ca 0.02 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1bld n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bld n ARG 48 N 0.00 -0.51 -3.76 1.61 1.74 -1.26 -1.88 116.66 112.61 1bld n ARG 48 Ca 0.00 -0.13 -0.20 0.00 -0.77 0.00 0.00 57.85 56.75 1bld n ARG 48 Cb 0.00 -1.46 -0.17 0.00 -1.02 0.00 0.00 32.46 29.81 1bld n ARG 48 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bld s VAL 49 N -2.19 0.08 -0.00 1.55 1.01 -1.26 -2.26 120.40 117.32 1bld s VAL 49 Ca 0.49 0.26 -0.19 0.00 0.00 0.00 0.00 61.98 62.54 1bld s VAL 49 Cb -0.12 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.02 1bld s VAL 49 CO 0.71 0.18 0.41 1.51 0.00 0.00 0.00 175.10 177.91 1bld s ASP 50 N 1.77 -0.31 0.41 3.32 -4.77 -0.79 -4.29 116.67 112.00 1bld s ASP 50 Ca 0.00 0.18 0.01 0.00 -3.30 0.00 0.00 52.55 49.44 1bld s ASP 50 Cb -0.12 0.39 -0.02 0.00 -1.09 0.00 0.00 42.92 42.08 1bld s ASP 50 CO -0.03 -0.54 0.62 -0.83 0.70 0.00 0.00 175.17 175.08 1bld s GLY 51 N -1.50 1.48 -0.01 2.12 0.00 -0.32 -1.01 107.32 108.08 1bld s GLY 51 Ca -0.11 -1.01 -0.10 0.00 0.00 0.00 0.00 44.72 43.50 1bld s GLY 51 CO 0.03 -0.88 0.21 -1.34 0.00 0.00 0.00 173.10 171.12 1bld s VAL 52 N -2.45 0.07 -1.97 1.40 -7.23 -0.48 -4.59 120.40 105.14 1bld s VAL 52 Ca 0.45 -0.54 0.02 0.00 -1.81 0.00 0.00 61.98 60.10 1bld s VAL 52 Cb -0.10 -0.49 0.07 0.00 0.56 0.00 0.00 36.38 36.42 1bld s VAL 52 CO 0.37 -0.30 1.05 0.54 -0.31 0.00 0.00 175.10 176.45 1bld n ARG 53 N 1.53 1.19 -3.08 4.82 1.74 -1.26 -1.66 116.66 119.95 1bld n ARG 53 Ca -0.21 -0.29 -0.45 0.00 -0.77 0.00 0.00 57.85 56.12 1bld n ARG 53 Cb 0.56 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.89 1bld n ARG 53 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1bld s GLU 54 N -1.87 3.34 0.00 5.56 2.56 -1.26 -4.84 118.70 122.18 1bld s GLU 54 Ca 0.05 -1.66 0.23 0.00 0.00 0.00 0.00 54.97 53.60 1bld s GLU 54 Cb 0.03 -4.50 1.20 0.00 2.00 0.00 0.00 34.13 32.86 1bld s GLU 54 CO 0.04 -1.58 1.77 0.36 -0.56 0.00 0.00 175.26 175.28 1bld n LYS 55 N 6.01 0.37 -0.53 4.30 -0.00 -1.26 -2.59 118.16 124.46 1bld n LYS 55 Ca 0.06 0.06 0.06 0.00 -0.00 0.00 0.00 58.31 58.49 1bld n LYS 55 Cb 0.46 -1.50 0.28 0.00 -0.00 0.00 0.00 35.03 34.26 1bld n LYS 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1bld n SER 56 N -1.26 3.95 -4.56 -5.58 3.41 -1.26 -4.85 113.62 103.47 1bld n SER 56 Ca 0.12 -2.46 -0.42 0.00 -0.26 0.00 0.00 58.87 55.85 1bld n SER 56 Cb 0.18 -0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 63.51 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bld s ASP 57 N -0.71 6.41 0.00 4.04 1.01 -1.07 -4.90 116.67 121.46 1bld s ASP 57 Ca 0.39 0.09 0.02 0.00 0.71 0.00 0.00 52.55 53.76 1bld s ASP 57 Cb 0.27 -2.32 0.13 0.00 1.01 0.00 0.00 42.92 42.01 1bld s ASP 57 CO 0.16 -0.60 0.52 -0.81 0.21 0.00 0.00 175.17 174.65 1bld n PRO 58 N 6.04 0.09 0.02 8.23 -0.05 -1.26 -1.27 135.00 146.81 1bld n PRO 58 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 63.50 63.56 1bld n PRO 58 Cb 0.49 -1.37 0.34 0.00 -0.05 0.00 0.00 33.50 32.90 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1bld n HIS 59 N -0.87 0.18 1.38 0.54 8.25 -1.26 -3.40 115.22 120.04 1bld n HIS 59 Ca 0.02 0.05 0.14 0.00 -0.26 0.00 0.00 57.72 57.67 1bld n HIS 59 Cb 0.01 -0.45 0.58 0.00 1.12 0.00 0.00 29.99 31.24 1bld n HIS 59 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1bld n ILE 60 N -1.68 0.00 -2.40 1.59 -5.35 -0.39 -4.42 119.36 106.70 1bld n ILE 60 Ca 0.05 -0.07 -0.37 0.00 -0.27 0.00 0.00 62.75 62.09 1bld n ILE 60 Cb 0.37 -0.02 -0.03 0.00 -1.74 0.00 0.00 39.64 38.22 1bld n ILE 60 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bld s LYS 61 N -2.47 3.41 -0.03 6.28 -0.14 -1.22 -4.59 119.74 120.97 1bld s LYS 61 Ca 0.28 -1.40 -0.18 0.00 -1.36 0.00 0.00 55.97 53.31 1bld s LYS 61 Cb 0.20 -5.38 -0.05 0.00 -1.68 0.00 0.00 37.83 30.92 1bld s LYS 61 CO 0.48 -2.74 0.52 -0.51 -0.76 0.00 0.00 175.35 172.33 1bld s LEU 62 N 6.54 4.40 -0.39 3.17 1.43 -1.26 -3.54 118.68 129.03 1bld s LEU 62 Ca 0.57 1.03 -0.21 0.00 -1.03 0.00 0.00 54.13 54.48 1bld s LEU 62 Cb 0.01 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.46 1bld s LEU 62 CO 0.04 0.14 0.68 -1.58 0.23 0.00 0.00 176.35 175.85 1bld s GLN 63 N -0.24 3.57 0.27 1.70 0.74 0.19 -2.52 119.66 123.39 1bld s GLN 63 Ca 0.28 -0.01 -0.06 0.00 0.05 0.00 0.00 55.36 55.62 1bld s GLN 63 Cb -0.17 -3.85 -0.05 0.00 1.10 0.00 0.00 33.01 30.03 1bld s GLN 63 CO 0.14 -0.86 0.55 -0.51 -0.55 0.00 0.00 175.29 174.06 1bld s LEU 64 N 2.87 4.08 -0.00 3.68 1.02 -1.26 -1.27 118.68 127.80 1bld s LEU 64 Ca 0.26 0.74 -0.09 0.00 0.02 0.00 0.00 54.13 55.06 1bld s LEU 64 Cb -0.14 -3.55 0.01 0.00 0.02 0.00 0.00 46.19 42.53 1bld s LEU 64 CO 0.17 -0.17 0.17 -1.10 0.02 0.00 0.00 176.35 175.44 1bld s GLN 65 N -3.41 0.51 0.26 1.70 -0.21 -0.22 -4.82 119.66 113.48 1bld s GLN 65 Ca 0.44 -0.35 -0.10 0.00 0.02 0.00 0.00 55.36 55.37 1bld s GLN 65 Cb -0.11 0.22 -0.07 0.00 1.00 0.00 0.00 33.01 34.04 1bld s GLN 65 CO 0.28 -0.12 0.59 0.00 -2.12 0.00 0.00 175.29 173.92 1bld s ALA 66 N -1.34 3.52 -0.10 6.09 0.00 -1.26 0.58 121.76 129.25 1bld s ALA 66 Ca -0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 1bld s ALA 66 Cb -0.07 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.60 1bld s ALA 66 CO 0.02 0.43 0.23 -2.00 0.00 0.00 0.00 175.76 174.44 1bld s GLU 67 N -2.97 0.20 2.97 0.00 -6.30 -0.15 -4.76 118.70 107.69 1bld s GLU 67 Ca 0.48 0.49 0.00 0.00 -2.50 0.00 0.00 54.97 53.44 1bld s GLU 67 Cb -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 34.13 33.91 1bld s GLU 67 CO 0.22 -0.15 0.00 0.39 0.02 0.00 0.00 175.26 175.74 1bld n GLU 68 N 4.12 0.00 -3.67 4.30 -0.58 -1.26 -3.73 120.64 119.82 1bld n GLU 68 Ca -0.24 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.41 1bld n GLU 68 Cb 0.53 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.31 1bld n GLU 68 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1bld s ARG 69 N 0.00 0.52 -1.12 3.49 1.70 -1.26 -4.88 118.95 117.39 1bld s ARG 69 Ca 0.00 0.97 0.00 0.00 -0.47 0.00 0.00 55.73 56.23 1bld s ARG 69 Cb 0.00 0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.43 1bld s ARG 69 CO 0.00 -0.16 0.00 0.41 -1.08 0.00 0.00 175.30 174.47 1bld n GLY 70 N 4.31 -0.03 2.74 3.88 0.00 -1.26 -4.97 105.19 109.86 1bld n GLY 70 Ca -0.22 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 1bld n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bld s VAL 71 N -2.63 -0.35 -0.15 1.61 1.01 -1.24 -4.32 120.40 114.34 1bld s VAL 71 Ca 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1bld s VAL 71 Cb 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1bld s VAL 71 CO 0.00 -0.54 0.36 0.68 0.00 0.00 0.00 175.10 175.60 1bld s VAL 72 N 1.98 5.26 -0.24 2.92 -7.23 -1.26 -0.97 120.40 120.86 1bld s VAL 72 Ca 0.12 0.70 -0.18 0.00 -1.81 0.00 0.00 61.98 60.81 1bld s VAL 72 Cb -0.15 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 1bld s VAL 72 CO -0.22 0.36 0.49 -0.44 -0.31 0.00 0.00 175.10 174.99 1bld s SER 73 N 0.54 6.45 0.22 4.85 0.01 0.20 -4.30 113.70 121.67 1bld s SER 73 Ca 0.20 0.54 -0.12 0.00 1.31 0.00 0.00 55.95 57.88 1bld s SER 73 Cb -0.14 -2.27 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 1bld s SER 73 CO 0.06 -0.23 0.58 -0.63 0.41 0.00 0.00 173.24 173.43 1bld s ILE 74 N 2.00 4.87 -0.11 1.44 1.01 -1.26 -1.05 121.20 128.10 1bld s ILE 74 Ca 0.21 0.65 -0.11 0.00 0.00 0.00 0.00 60.65 61.40 1bld s ILE 74 Cb -0.15 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.69 1bld s ILE 74 CO 0.09 0.01 0.31 -0.75 0.00 0.00 0.00 174.94 174.60 1bld s LYS 75 N -2.58 0.39 0.22 2.79 2.20 -0.39 -4.11 119.74 118.27 1bld s LYS 75 Ca 0.45 0.37 -0.18 0.00 -0.36 0.00 0.00 55.97 56.26 1bld s LYS 75 Cb -0.12 0.19 -0.08 0.00 -1.51 0.00 0.00 37.83 36.31 1bld s LYS 75 CO 0.20 -0.06 0.69 0.20 -0.36 0.00 0.00 175.35 176.02 1bld s GLY 76 N 0.02 2.53 0.00 5.54 0.00 -0.63 0.58 107.32 115.35 1bld s GLY 76 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1bld s GLY 76 CO 0.01 0.39 0.00 -0.62 0.00 0.00 0.00 173.10 172.88 1bld n VAL 77 N 0.54 0.00 -0.14 1.40 0.31 -1.23 -1.90 118.33 117.31 1bld n VAL 77 Ca -0.02 0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1bld n VAL 77 Cb 0.52 -0.04 -0.02 0.00 -0.91 0.00 0.00 33.84 33.38 1bld n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1bld h SER 78 N 0.00 -1.20 -0.32 4.52 0.87 -1.87 0.67 113.55 116.22 1bld h SER 78 Ca 0.00 0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 1bld h SER 78 Cb 0.00 0.56 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1bld h SER 78 CO 0.00 -0.33 0.23 0.00 -0.53 0.00 0.00 176.83 176.20 1bld h ALA 79 N 0.71 2.26 -6.36 6.23 0.00 -1.89 -3.45 119.26 116.75 1bld h ALA 79 Ca 0.17 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.59 1bld h ALA 79 Cb 0.55 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1bld h ALA 79 CO -0.58 -0.34 -0.82 0.09 0.00 0.00 0.00 179.25 177.60 1bld n ASN 80 N -4.45 -2.72 -3.99 0.00 3.02 0.23 -4.96 115.26 102.39 1bld n ASN 80 Ca 0.05 -0.88 -0.13 0.00 -0.03 0.00 0.00 54.58 53.59 1bld n ASN 80 Cb 0.38 -3.57 -0.13 0.00 -0.61 0.00 0.00 39.78 35.85 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1bld s ARG 81 N -6.50 0.38 -0.00 3.52 0.52 -1.24 -4.76 118.95 110.87 1bld s ARG 81 Ca 0.38 -0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 54.96 1bld s ARG 81 Cb -0.19 -0.23 -0.06 0.00 0.52 0.00 0.00 34.95 35.00 1bld s ARG 81 CO 0.85 0.05 0.54 0.71 0.02 0.00 0.00 175.30 177.47 1bld s TYR 82 N -0.78 3.69 0.65 -0.53 1.51 0.30 -1.61 117.35 120.58 1bld s TYR 82 Ca -0.06 1.13 -0.17 0.00 -1.01 0.00 0.00 57.07 56.97 1bld s TYR 82 Cb -0.06 -2.52 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 1bld s TYR 82 CO -0.00 0.43 1.22 -1.17 -1.11 0.00 0.00 175.55 174.92 1bld s LEU 83 N -0.43 3.53 0.05 -1.29 2.96 -1.26 -1.29 118.68 120.96 1bld s LEU 83 Ca 0.28 2.40 -0.04 0.00 -0.22 0.00 0.00 54.13 56.56 1bld s LEU 83 Cb -0.18 -4.60 -0.02 0.00 0.50 0.00 0.00 46.19 41.89 1bld s LEU 83 CO 0.16 -1.87 0.05 0.00 -1.32 0.00 0.00 176.35 173.36 1bld s ALA 84 N -1.71 0.19 -0.02 5.97 0.00 0.37 -4.45 121.76 122.10 1bld s ALA 84 Ca 0.77 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1bld s ALA 84 Cb -0.31 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.14 1bld s ALA 84 CO 0.38 -0.37 0.02 1.41 0.00 0.00 0.00 175.76 177.20 1bld s MET 85 N -3.42 0.07 0.09 0.00 1.75 -1.03 -2.42 119.30 114.34 1bld s MET 85 Ca 0.02 0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.61 1bld s MET 85 Cb 0.04 -0.31 0.02 0.00 2.84 0.00 0.00 34.83 37.41 1bld s MET 85 CO -0.08 -0.15 0.12 1.63 -0.65 0.00 0.00 175.02 175.89 1bld n LYS 86 N 4.12 0.63 0.04 4.11 4.01 -1.13 -4.88 118.16 125.05 1bld n LYS 86 Ca -0.27 -0.36 0.11 0.00 -0.51 0.00 0.00 58.31 57.29 1bld n LYS 86 Cb 0.51 -0.07 0.02 0.00 -0.51 0.00 0.00 35.03 34.98 1bld n LYS 86 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1bld n GLU 87 N -1.22 0.34 0.00 1.97 -0.00 -1.26 -3.83 120.64 116.64 1bld n GLU 87 Ca 0.02 0.01 0.14 0.00 -0.00 0.00 0.00 57.16 57.33 1bld n GLU 87 Cb 0.07 -1.62 0.63 0.00 -0.00 0.00 0.00 31.44 30.52 1bld n GLU 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1bld n ASP 88 N -2.06 0.34 0.00 -1.84 5.68 -1.26 -4.87 116.55 112.54 1bld n ASP 88 Ca 0.02 -0.40 0.00 0.00 -0.50 0.00 0.00 54.79 53.91 1bld n ASP 88 Cb 0.45 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1bld n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 89 N 1.30 0.81 3.55 6.12 0.00 -1.25 -4.60 105.19 111.13 1bld n GLY 89 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1bld n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bld s ARG 90 N -0.72 3.46 -0.12 1.61 0.52 -1.26 -3.58 118.95 118.85 1bld s ARG 90 Ca 0.00 0.02 -0.15 0.00 -0.52 0.00 0.00 55.73 55.07 1bld s ARG 90 Cb 0.00 -3.98 -0.05 0.00 0.52 0.00 0.00 34.95 31.45 1bld s ARG 90 CO 0.00 -1.35 0.38 -0.51 0.02 0.00 0.00 175.30 173.83 1bld s LEU 91 N 3.92 4.29 0.28 2.53 1.02 -1.26 -2.82 118.68 126.63 1bld s LEU 91 Ca 0.35 0.69 -0.09 0.00 0.02 0.00 0.00 54.13 55.10 1bld s LEU 91 Cb -0.11 -2.52 -0.00 0.00 0.02 0.00 0.00 46.19 43.58 1bld s LEU 91 CO 0.24 0.10 0.46 -1.48 0.02 0.00 0.00 176.35 175.69 1bld s LEU 92 N 0.30 0.59 0.24 1.79 0.05 -1.01 -4.60 118.68 116.04 1bld s LEU 92 Ca 0.21 -1.16 0.07 0.00 0.05 0.00 0.00 54.13 53.30 1bld s LEU 92 Cb -0.14 1.61 -0.04 0.00 -2.05 0.00 0.00 46.19 45.58 1bld s LEU 92 CO 0.08 -1.20 0.21 0.00 -0.55 0.00 0.00 176.35 174.89 1bld s ALA 93 N -3.63 3.63 0.15 1.48 0.00 -0.78 -0.48 121.76 122.13 1bld s ALA 93 Ca 0.26 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 1bld s ALA 93 Cb -0.00 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1bld s ALA 93 CO 0.13 0.27 0.34 -1.54 0.00 0.00 0.00 175.76 174.96 1bld s SER 94 N -3.81 -0.05 -0.05 0.00 1.04 -0.41 -4.82 113.70 105.60 1bld s SER 94 Ca 0.33 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.13 1bld s SER 94 Cb -0.08 0.46 -0.25 0.00 0.10 0.00 0.00 66.02 66.24 1bld s SER 94 CO 0.25 -0.89 0.64 0.11 0.98 0.00 0.00 173.24 174.33 1bld h LYS 95 N 2.48 0.13 -5.66 4.02 1.57 -1.86 0.86 116.57 118.12 1bld h LYS 95 Ca -0.32 -0.23 -0.58 0.00 -1.87 0.00 0.00 60.65 57.65 1bld h LYS 95 Cb 1.23 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.54 1bld h LYS 95 CO 0.47 0.86 -0.22 0.45 -0.57 0.00 0.00 179.45 180.44 1bld s SER 96 N -6.59 6.59 -0.63 0.86 0.15 -1.26 -4.58 113.70 108.25 1bld s SER 96 Ca -0.11 0.70 -0.27 0.00 0.70 0.00 0.00 55.95 56.98 1bld s SER 96 Cb 0.07 -2.24 0.04 0.00 -1.71 0.00 0.00 66.02 62.18 1bld s SER 96 CO 0.81 0.06 1.15 0.54 1.20 0.00 0.00 173.24 177.01 1bld s VAL 97 N 0.45 4.02 0.41 4.45 0.11 -1.26 -4.86 120.40 123.72 1bld s VAL 97 Ca 0.22 0.51 0.03 0.00 -2.93 0.00 0.00 61.98 59.81 1bld s VAL 97 Cb -0.14 -4.75 -0.00 0.00 -1.53 0.00 0.00 36.38 29.95 1bld s VAL 97 CO 0.08 -1.48 0.60 0.42 -3.33 0.00 0.00 175.10 171.39 1bld s THR 98 N 4.94 3.93 0.41 5.04 -4.23 -1.26 -4.92 115.64 119.55 1bld s THR 98 Ca 0.36 -0.71 0.16 0.00 -1.18 0.00 0.00 61.69 60.32 1bld s THR 98 Cb -0.09 -3.41 0.16 0.00 1.34 0.00 0.00 72.50 70.50 1bld s THR 98 CO 0.19 -0.24 1.45 0.44 -0.54 0.00 0.00 174.62 175.92 1bld h ASP 99 N 0.57 0.00 -1.25 3.99 5.19 -2.02 -1.15 116.42 121.76 1bld h ASP 99 Ca -0.46 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.40 1bld h ASP 99 Cb 1.26 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.57 1bld h ASP 99 CO 0.55 0.00 0.54 -0.62 -3.12 0.00 0.00 179.24 176.59 1bld n GLU 100 N -2.43 2.46 0.00 3.56 4.71 -1.26 -3.93 120.64 123.75 1bld n GLU 100 Ca -0.01 -2.58 0.00 0.00 -0.01 0.00 0.00 57.16 54.56 1bld n GLU 100 Cb 0.50 -2.16 0.00 0.00 -1.01 0.00 0.00 31.44 28.77 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bld s PHE 102 N 0.00 3.48 -0.20 0.00 0.08 -1.25 -4.59 117.98 115.50 1bld s PHE 102 Ca 0.00 0.36 -0.05 0.00 0.12 0.00 0.00 56.93 57.36 1bld s PHE 102 Cb 0.00 -1.87 0.10 0.00 -0.57 0.00 0.00 43.02 40.68 1bld s PHE 102 CO 0.00 0.38 0.35 -0.06 -0.10 0.00 0.00 175.22 175.79 1bld s PHE 103 N -1.86 -0.67 0.69 0.36 0.40 -1.26 -3.78 117.98 111.86 1bld s PHE 103 Ca 0.39 1.04 -0.17 0.00 -0.60 0.00 0.00 56.93 57.60 1bld s PHE 103 Cb -0.11 0.07 -0.02 0.00 0.51 0.00 0.00 43.02 43.47 1bld s PHE 103 CO 0.29 -0.54 0.88 1.19 0.70 0.00 0.00 175.22 177.73 1bld n PHE 104 N 5.37 0.41 -3.82 0.36 3.72 0.04 -4.28 117.46 119.26 1bld n PHE 104 Ca -0.06 0.40 -0.30 0.00 -0.05 0.00 0.00 57.45 57.44 1bld n PHE 104 Cb 0.50 -2.06 -0.13 0.00 -0.94 0.00 0.00 39.48 36.84 1bld n PHE 104 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1bld s GLU 105 N -3.05 1.62 -0.24 -1.08 2.12 -1.26 -1.89 118.70 114.91 1bld s GLU 105 Ca 0.73 -2.30 -0.20 0.00 0.36 0.00 0.00 54.97 53.55 1bld s GLU 105 Cb -0.37 -2.80 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 1bld s GLU 105 CO 0.51 -1.14 0.61 0.50 -0.54 0.00 0.00 175.26 175.20 1bld s ARG 106 N 0.04 4.13 -0.26 4.30 6.06 -0.88 -4.91 118.95 127.43 1bld s ARG 106 Ca 0.17 0.53 -0.19 0.00 -2.50 0.00 0.00 55.73 53.75 1bld s ARG 106 Cb -0.25 -3.63 -0.02 0.00 0.06 0.00 0.00 34.95 31.10 1bld s ARG 106 CO 0.00 -0.36 0.55 -1.17 -2.50 0.00 0.00 175.30 171.82 1bld s LEU 107 N 2.33 4.06 0.00 -0.88 2.96 -1.26 -1.33 118.68 124.56 1bld s LEU 107 Ca 0.26 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.71 1bld s LEU 107 Cb -0.16 -2.72 0.06 0.00 0.50 0.00 0.00 46.19 43.87 1bld s LEU 107 CO 0.09 -0.31 0.35 -0.62 -1.32 0.00 0.00 176.35 174.53 1bld n GLU 108 N 5.59 -0.07 0.07 1.98 -0.58 -1.03 -4.99 120.64 121.61 1bld n GLU 108 Ca -0.03 -0.68 0.11 0.00 -0.42 0.00 0.00 57.16 56.14 1bld n GLU 108 Cb 0.49 -0.32 -0.05 0.00 -0.57 0.00 0.00 31.44 31.00 1bld n GLU 108 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1bld n SER 109 N -3.14 0.62 -0.77 1.62 3.41 -1.26 -4.01 113.62 110.09 1bld n SER 109 Ca 0.05 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1bld n SER 109 Cb 0.17 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 1bld n SER 109 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bld n ASN 110 N -2.57 1.48 0.00 4.04 4.13 -1.26 -4.71 115.26 116.37 1bld n ASN 110 Ca -0.02 -1.43 0.00 0.00 1.68 0.00 0.00 54.58 54.81 1bld n ASN 110 Cb 0.57 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bld n ASN 111 N 0.41 0.00 -4.78 6.41 4.13 -1.26 -4.91 115.26 115.27 1bld n ASN 111 Ca 0.00 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.90 1bld n ASN 111 Cb 0.27 -2.35 -0.07 0.00 -1.54 0.00 0.00 39.78 36.09 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1bld s TYR 112 N -1.09 3.49 0.56 3.10 2.02 -1.26 -4.89 117.35 119.28 1bld s TYR 112 Ca 0.00 0.49 0.01 0.00 -0.37 0.00 0.00 57.07 57.20 1bld s TYR 112 Cb 0.00 -2.15 0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1bld s TYR 112 CO 0.00 0.43 0.78 -0.80 -1.57 0.00 0.00 175.55 174.39 1bld s ASN 113 N -0.09 5.25 -0.14 2.29 -0.87 -0.81 -2.48 114.94 118.09 1bld s ASN 113 Ca 0.13 -0.02 -0.04 0.00 -1.57 0.00 0.00 52.86 51.36 1bld s ASN 113 Cb -0.12 -0.85 0.06 0.00 -0.02 0.00 0.00 41.25 40.31 1bld s ASN 113 CO 0.02 -1.17 0.11 0.42 -2.57 0.00 0.00 177.10 173.92 1bld s THR 114 N -2.78 -0.15 -0.52 1.60 -4.23 -0.44 -2.60 115.64 106.51 1bld s THR 114 Ca 0.58 0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.90 1bld s THR 114 Cb -0.10 -0.47 0.05 0.00 1.34 0.00 0.00 72.50 73.32 1bld s THR 114 CO 0.39 -0.12 0.79 -0.31 -0.54 0.00 0.00 174.62 174.82 1bld s TYR 115 N 2.19 2.92 0.15 3.99 2.02 -1.26 -2.07 117.35 125.29 1bld s TYR 115 Ca 0.04 -0.23 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 1bld s TYR 115 Cb -0.15 -3.80 -0.05 0.00 -0.40 0.00 0.00 41.96 37.56 1bld s TYR 115 CO -0.08 -1.18 0.37 0.50 -1.57 0.00 0.00 175.55 173.58 1bld s ARG 116 N 3.32 3.58 0.59 -0.62 3.52 -0.79 -2.53 118.95 126.01 1bld s ARG 116 Ca 0.24 -0.18 -0.15 0.00 -0.13 0.00 0.00 55.73 55.51 1bld s ARG 116 Cb -0.15 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 1bld s ARG 116 CO 0.16 0.46 1.04 0.45 -0.81 0.00 0.00 175.30 176.60 1bld s SER 117 N -2.61 5.97 0.00 -2.12 0.15 -1.07 -0.78 113.70 113.24 1bld s SER 117 Ca 0.40 1.70 0.00 0.00 0.70 0.00 0.00 55.95 58.75 1bld s SER 117 Cb -0.12 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1bld s SER 117 CO 0.26 -1.04 0.00 -1.14 1.20 0.00 0.00 173.24 172.52 1bld n ARG 118 N -2.10 0.00 0.00 5.44 0.63 -1.25 -3.04 116.66 116.35 1bld n ARG 118 Ca 0.08 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1bld n ARG 118 Cb 0.53 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.94 1bld n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1bld n LYS 119 N -1.76 0.00 -3.12 -0.14 3.00 -1.26 -2.31 118.16 112.57 1bld n LYS 119 Ca 0.00 0.30 -0.20 0.00 -0.00 0.00 0.00 58.31 58.41 1bld n LYS 119 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 35.03 33.30 1bld n LYS 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1bld n TYR 120 N -1.30 -0.66 0.51 5.64 4.01 -1.26 -4.93 117.16 119.17 1bld n TYR 120 Ca 0.00 -3.37 0.02 0.00 -0.16 0.00 0.00 57.90 54.39 1bld n TYR 120 Cb 0.19 -0.08 0.12 0.00 -0.31 0.00 0.00 39.34 39.25 1bld n TYR 120 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bld n THR 121 N 1.12 0.00 1.03 -0.72 -2.24 -0.98 -2.02 114.28 110.48 1bld n THR 121 Ca 0.20 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.06 1bld n THR 121 Cb 0.58 -0.61 0.27 0.00 -2.10 0.00 0.00 70.33 68.47 1bld n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bld n SER 122 N -0.74 1.81 -3.87 3.42 7.64 -1.26 -4.88 113.62 115.74 1bld n SER 122 Ca 0.03 -1.85 -0.09 0.00 1.01 0.00 0.00 58.87 57.97 1bld n SER 122 Cb 0.01 -0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 1bld n SER 122 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1bld s TRP 123 N -1.65 0.07 0.26 1.43 0.51 -0.86 -4.87 118.94 113.84 1bld s TRP 123 Ca 0.28 -0.44 0.03 0.00 -2.12 0.00 0.00 56.10 53.85 1bld s TRP 123 Cb 0.15 0.35 -0.05 0.00 -0.81 0.00 0.00 33.47 33.11 1bld s TRP 123 CO 0.21 -0.99 0.05 0.71 -0.51 0.00 0.00 176.95 176.42 1bld s TYR 124 N -3.94 1.66 -0.14 -1.98 1.51 -1.26 -2.61 117.35 110.59 1bld s TYR 124 Ca 0.15 -1.02 -0.24 0.00 -1.01 0.00 0.00 57.07 54.95 1bld s TYR 124 Cb -0.02 -1.00 -0.02 0.00 -0.11 0.00 0.00 41.96 40.81 1bld s TYR 124 CO 0.03 -0.13 0.75 0.08 -1.11 0.00 0.00 175.55 175.17 1bld s VAL 125 N -3.51 4.96 0.17 0.71 1.01 -1.05 -4.89 120.40 117.80 1bld s VAL 125 Ca 0.34 1.48 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 1bld s VAL 125 Cb 0.07 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1bld s VAL 125 CO 0.12 0.11 0.43 0.00 0.00 0.00 0.00 175.10 175.76 1bld s ALA 126 N 1.69 -0.70 0.30 5.51 0.00 -1.26 -4.70 121.76 122.60 1bld s ALA 126 Ca 0.36 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 52.09 1bld s ALA 126 Cb -0.17 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 1bld s ALA 126 CO 0.14 -0.72 -0.15 -0.51 0.00 0.00 0.00 175.76 174.51 1bld s LEU 127 N -2.88 2.67 0.00 0.00 1.43 -1.26 -2.81 118.68 115.83 1bld s LEU 127 Ca 0.09 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 1bld s LEU 127 Cb 0.01 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.12 1bld s LEU 127 CO -0.05 -0.05 0.00 0.29 0.23 0.00 0.00 176.35 176.78 1bld n LYS 128 N -0.70 0.00 0.00 1.70 5.02 -0.83 -4.66 118.16 118.70 1bld n LYS 128 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1bld n LYS 128 Cb 0.61 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 1bld n LYS 128 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bld n ARG 129 N 0.00 0.00 0.00 1.97 1.85 -1.26 -4.83 116.66 114.38 1bld n ARG 129 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1bld n ARG 129 Cb 0.00 -0.25 0.00 0.00 -1.05 0.00 0.00 32.46 31.16 1bld n ARG 129 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1bld n THR 130 N -1.17 0.00 -0.47 8.89 5.66 -1.26 -4.76 114.28 121.16 1bld n THR 130 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1bld n THR 130 Cb 0.00 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 1bld n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bld n GLY 131 N 0.40 0.75 3.92 1.09 0.00 -1.26 -4.89 105.19 105.20 1bld n GLY 131 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1bld n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bld s GLN 132 N -0.53 2.51 -0.26 1.61 1.11 -1.26 -1.17 119.66 121.67 1bld s GLN 132 Ca 0.00 -0.07 -0.17 0.00 0.01 0.00 0.00 55.36 55.14 1bld s GLN 132 Cb 0.00 -2.18 -0.03 0.00 -1.01 0.00 0.00 33.01 29.79 1bld s GLN 132 CO 0.00 -1.05 0.46 1.52 0.01 0.00 0.00 175.29 176.23 1bld s TYR 133 N -3.19 3.26 0.03 0.91 1.13 -1.26 -1.96 117.35 116.28 1bld s TYR 133 Ca 0.58 0.55 -0.30 0.00 -1.41 0.00 0.00 57.07 56.48 1bld s TYR 133 Cb -0.11 -2.66 -0.06 0.00 -1.10 0.00 0.00 41.96 38.03 1bld s TYR 133 CO 0.46 -0.26 1.41 0.21 -2.51 0.00 0.00 175.55 174.87 1bld s LYS 134 N 2.20 4.29 0.42 -3.49 2.20 -1.12 -4.80 119.74 119.43 1bld s LYS 134 Ca 0.19 2.02 -0.23 0.00 -0.36 0.00 0.00 55.97 57.59 1bld s LYS 134 Cb -0.16 -3.49 -0.12 0.00 -1.51 0.00 0.00 37.83 32.55 1bld s LYS 134 CO 0.09 -0.55 0.58 -0.11 -0.36 0.00 0.00 175.35 175.01 1bld n LEU 135 N 5.02 0.17 0.00 5.43 7.94 -1.26 -4.74 117.00 129.55 1bld n LEU 135 Ca 0.13 0.92 0.02 0.00 -1.11 0.00 0.00 56.01 55.96 1bld n LEU 135 Cb 0.43 -1.13 0.09 0.00 0.53 0.00 0.00 43.42 43.35 1bld n LEU 135 CO 0.59 -2.78 0.36 0.61 -1.11 0.00 0.00 177.39 175.06 1bld n GLY 136 N 1.74 -0.56 0.11 -3.96 0.00 -1.24 -2.60 105.19 98.68 1bld n GLY 136 Ca 0.11 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1bld n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bld n SER 137 N -0.59 1.41 -0.12 1.61 3.41 -1.26 -4.00 113.62 114.08 1bld n SER 137 Ca 0.02 0.29 0.13 0.00 -0.26 0.00 0.00 58.87 59.05 1bld n SER 137 Cb 0.01 -0.38 0.32 0.00 -0.26 0.00 0.00 64.21 63.91 1bld n SER 137 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bld n LYS 138 N -3.23 0.43 -2.11 4.33 5.02 -1.07 -4.90 118.16 116.63 1bld n LYS 138 Ca -0.25 -0.25 -0.34 0.00 -2.02 0.00 0.00 58.31 55.45 1bld n LYS 138 Cb 1.05 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.58 1bld n LYS 138 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bld s THR 139 N -2.74 3.26 -5.00 -0.18 -4.23 -1.22 -4.97 115.64 100.55 1bld s THR 139 Ca 0.18 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 1bld s THR 139 Cb 0.18 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1bld s THR 139 CO 0.61 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1bld n GLY 140 N -0.13 -2.48 3.47 3.99 0.00 -1.26 -4.79 105.19 103.98 1bld n GLY 140 Ca 0.11 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 1bld n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bld s PRO 141 N -1.91 -1.13 0.00 1.61 0.02 -1.26 -3.42 135.00 128.91 1bld s PRO 141 Ca 0.00 0.80 0.00 0.00 0.02 0.00 0.00 61.00 61.82 1bld s PRO 141 Cb 0.00 -1.53 0.00 0.00 0.02 0.00 0.00 34.50 32.99 1bld s PRO 141 CO 0.00 -3.86 0.00 0.41 -0.33 0.00 0.00 177.00 173.22 1bld n GLY 142 N 0.88 1.80 3.72 0.52 0.00 -1.26 -4.95 105.19 105.91 1bld n GLY 142 Ca 0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1bld n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bld s GLN 143 N 0.00 4.42 0.00 1.61 -1.52 -1.22 -4.89 119.66 118.06 1bld s GLN 143 Ca 0.00 1.88 0.21 0.00 -1.95 0.00 0.00 55.36 55.50 1bld s GLN 143 Cb 0.00 -3.29 1.00 0.00 -0.22 0.00 0.00 33.01 30.50 1bld s GLN 143 CO 0.00 -0.25 1.67 1.63 -0.25 0.00 0.00 175.29 178.09 1bld n LYS 144 N 3.48 1.37 0.00 2.91 5.02 -1.26 -3.85 118.16 125.84 1bld n LYS 144 Ca 0.08 -0.55 0.03 0.00 -2.02 0.00 0.00 58.31 55.84 1bld n LYS 144 Cb 0.45 -1.36 0.15 0.00 -0.02 0.00 0.00 35.03 34.24 1bld n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bld n ALA 145 N -0.24 1.58 1.08 7.82 0.00 -1.26 -0.82 120.51 128.67 1bld n ALA 145 Ca 0.16 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1bld n ALA 145 Cb 0.21 -1.09 0.12 0.00 0.00 0.00 0.00 19.45 18.69 1bld n ALA 145 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1bld n ILE 146 N -1.13 0.00 -2.66 0.00 -5.35 -1.25 -4.45 119.36 104.53 1bld n ILE 146 Ca 0.03 -0.26 -0.42 0.00 -0.27 0.00 0.00 62.75 61.84 1bld n ILE 146 Cb 0.03 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.95 1bld n ILE 146 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bld s LEU 147 N -2.40 3.61 0.24 7.28 1.43 -0.00 -4.31 118.68 124.53 1bld s LEU 147 Ca 0.22 -0.70 0.07 0.00 -1.03 0.00 0.00 54.13 52.69 1bld s LEU 147 Cb 0.19 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1bld s LEU 147 CO 0.51 -1.68 0.14 -0.36 0.23 0.00 0.00 176.35 175.20 1bld s PHE 148 N 5.10 3.03 -0.42 0.29 0.40 -1.07 -3.35 117.98 121.96 1bld s PHE 148 Ca 0.31 -0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.59 1bld s PHE 148 Cb -0.11 -1.37 0.23 0.00 0.51 0.00 0.00 43.02 42.29 1bld s PHE 148 CO 0.12 0.54 0.50 -0.11 0.70 0.00 0.00 175.22 176.97 1bld n LEU 149 N -1.00 0.37 -4.65 -0.37 7.94 -0.84 -1.92 117.00 116.53 1bld n LEU 149 Ca -0.08 -4.70 -0.42 0.00 -1.11 0.00 0.00 56.01 49.70 1bld n LEU 149 Cb 0.58 0.49 -0.03 0.00 0.53 0.00 0.00 43.42 44.99 1bld n LEU 149 CO 0.42 2.02 1.61 -2.84 -1.11 0.00 0.00 177.39 177.49 1bld s PRO 150 N -1.04 3.92 -0.20 1.96 0.02 -1.26 -3.60 135.00 134.80 1bld s PRO 150 Ca 0.35 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 63.61 1bld s PRO 150 Cb 0.14 -4.18 -0.04 0.00 0.02 0.00 0.00 34.50 30.44 1bld s PRO 150 CO -0.12 -1.20 0.29 -1.64 -0.33 0.00 0.00 177.00 174.00 1bld s MET 151 N 4.81 4.18 0.81 5.54 -1.94 -0.20 -4.87 119.30 127.63 1bld s MET 151 Ca 0.88 0.04 -0.11 0.00 -1.71 0.00 0.00 55.69 54.79 1bld s MET 151 Cb -0.38 -3.49 0.08 0.00 2.01 0.00 0.00 34.83 33.04 1bld s MET 151 CO 0.38 0.10 1.09 0.45 -0.01 0.00 0.00 175.02 177.03 1bld s SER 152 N 0.81 4.19 -0.41 3.03 0.15 -1.26 -0.95 113.70 119.26 1bld s SER 152 Ca 0.15 1.69 0.04 0.00 0.70 0.00 0.00 55.95 58.53 1bld s SER 152 Cb -0.14 -2.39 0.16 0.00 -1.71 0.00 0.00 66.02 61.95 1bld s SER 152 CO 0.05 -2.22 0.41 0.00 1.20 0.00 0.00 173.24 172.68 1bld s ALA 153 N -2.93 0.03 -0.02 5.45 0.00 -1.02 -4.81 121.76 118.46 1bld s ALA 153 Ca 0.62 -1.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1bld s ALA 153 Cb -0.17 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1bld s ALA 153 CO 0.56 -2.10 0.46 0.87 0.00 0.00 0.00 175.76 175.54 1bld h LYS 154 N 6.23 -0.23 0.00 0.00 1.57 -1.93 -3.38 116.57 118.83 1bld h LYS 154 Ca 0.13 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1bld h LYS 154 Cb 1.01 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1bld h LYS 154 CO 0.23 -0.15 0.00 -1.13 -0.57 0.00 0.00 179.45 177.83