#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld h ALA 2 N 0.00 0.62 -3.00 3.04 0.00 -2.09 -3.46 119.26 114.36 1bld h ALA 2 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 54.91 53.50 1bld h ALA 2 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1bld h ALA 2 CO 0.00 1.46 0.00 0.39 0.00 0.00 0.00 179.25 181.10 1bld n GLU 3 N -3.23 0.48 0.00 0.00 1.02 -1.26 -5.06 120.64 112.59 1bld n GLU 3 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1bld n GLU 3 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.47 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bld n GLY 4 N 0.00 4.44 3.94 0.62 0.00 -1.26 -4.95 105.19 107.98 1bld n GLY 4 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1bld n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bld s GLU 5 N 4.77 3.44 -0.08 1.61 2.02 -1.26 -4.72 118.70 124.48 1bld s GLU 5 Ca 0.00 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 54.68 1bld s GLU 5 Cb 0.00 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.62 1bld s GLU 5 CO 0.00 0.06 0.03 -0.89 0.02 0.00 0.00 175.26 174.48 1bld n ILE 6 N -1.88 -4.99 -3.08 -1.63 5.41 -1.26 -4.96 119.36 106.97 1bld n ILE 6 Ca -0.03 0.91 -0.16 0.00 1.00 0.00 0.00 62.75 64.46 1bld n ILE 6 Cb 0.56 -4.05 -0.00 0.00 -0.71 0.00 0.00 39.64 35.44 1bld n ILE 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1bld n THR 7 N 1.59 -0.16 -2.74 1.39 -1.04 -1.26 -4.92 114.28 107.14 1bld n THR 7 Ca -0.06 -3.80 -0.04 0.00 -2.04 0.00 0.00 64.05 58.12 1bld n THR 7 Cb 0.29 0.08 0.07 0.00 -1.82 0.00 0.00 70.33 68.95 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 0.38 0.78 -1.60 12.58 5.66 -1.26 -5.12 114.28 125.70 1bld n THR 8 Ca 0.20 -2.41 0.00 0.00 -3.05 0.00 0.00 64.05 58.79 1bld n THR 8 Cb 0.66 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.47 1bld n THR 8 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1bld n LEU 9 N -0.62 -1.78 -4.23 1.09 4.77 -1.26 -4.87 117.00 110.11 1bld n LEU 9 Ca 0.02 2.94 -0.27 0.00 -0.03 0.00 0.00 56.01 58.66 1bld n LEU 9 Cb 0.83 -3.20 0.24 0.00 -2.33 0.00 0.00 43.42 38.95 1bld n LEU 9 CO 0.07 -0.67 0.18 -2.65 -1.33 0.00 0.00 177.39 172.99 1bld n PRO 10 N -2.41 -3.38 -1.86 3.23 -0.01 -1.26 -5.05 135.00 124.25 1bld n PRO 10 Ca 0.00 -0.99 -0.02 0.00 -0.01 0.00 0.00 63.50 62.48 1bld n PRO 10 Cb 0.43 -1.84 -0.00 0.00 -0.01 0.00 0.00 33.50 32.08 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bld n ALA 11 N -5.16 -0.09 -3.06 3.55 0.00 -1.26 -5.11 120.51 109.38 1bld n ALA 11 Ca 0.08 -0.24 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 1bld n ALA 11 Cb 0.53 0.19 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 1bld n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bld n LEU 12 N 0.00 -0.57 0.00 0.00 7.94 -1.26 -5.10 117.00 118.01 1bld n LEU 12 Ca -0.00 -4.37 -0.05 0.00 -1.11 0.00 0.00 56.01 50.47 1bld n LEU 12 Cb 0.09 0.72 0.05 0.00 0.53 0.00 0.00 43.42 44.81 1bld n LEU 12 CO 0.04 2.09 0.08 -0.81 -1.11 0.00 0.00 177.39 177.68 1bld n PRO 13 N 1.22 -2.10 -2.87 1.96 -0.05 -1.26 -4.68 135.00 127.23 1bld n PRO 13 Ca 0.18 -0.28 -0.00 0.00 -0.05 0.00 0.00 63.50 63.35 1bld n PRO 13 Cb 0.58 -0.32 -0.00 0.00 -0.05 0.00 0.00 33.50 33.71 1bld n PRO 13 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 1bld n GLU 14 N -2.46 -2.56 0.36 0.54 4.07 -1.26 -4.88 120.64 114.45 1bld n GLU 14 Ca 0.03 2.20 -0.18 0.00 -0.06 0.00 0.00 57.16 59.14 1bld n GLU 14 Cb 0.11 -3.90 -0.09 0.00 -0.06 0.00 0.00 31.44 27.50 1bld n GLU 14 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1bld h ASP 15 N 3.38 -0.88 -6.06 4.31 3.58 -2.06 -3.47 116.42 115.21 1bld h ASP 15 Ca -0.04 0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1bld h ASP 15 Cb 0.40 0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.70 1bld h ASP 15 CO 0.06 -0.58 -0.99 0.61 -2.88 0.00 0.00 179.24 175.46 1bld n GLY 16 N -1.50 -0.86 1.65 -0.78 0.00 -1.26 -4.81 105.19 97.63 1bld n GLY 16 Ca -0.13 0.70 -0.08 0.00 0.00 0.00 0.00 46.02 46.51 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 0.41 3.17 0.00 -0.02 0.00 -1.26 -4.69 105.19 102.80 1bld n GLY 17 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.19 0.00 0.00 1.61 2.88 -1.26 -5.15 113.62 111.52 1bld n SER 18 Ca 0.31 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1bld n SER 18 Cb 1.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 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 0.00 1.00 0.00 0.46 0.00 -1.26 -5.06 105.19 100.32 1bld n GLY 19 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 -3.06 4.61 0.00 -1.26 -4.45 120.51 116.36 1bld n ALA 20 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1bld n ALA 20 Cb 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 19.45 19.62 1bld n ALA 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bld n PHE 21 N -0.83 -0.35 -0.76 0.00 7.35 -1.26 -5.13 117.46 116.49 1bld n PHE 21 Ca 0.00 -3.40 -0.29 0.00 -0.76 0.00 0.00 57.45 53.00 1bld n PHE 21 Cb 0.00 -0.01 0.22 0.00 0.35 0.00 0.00 39.48 40.04 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1bld s PRO 22 N -1.95 -0.28 0.00 -7.13 0.04 -1.26 -5.01 135.00 119.41 1bld s PRO 22 Ca 0.35 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1bld s PRO 22 Cb 0.35 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 33.26 1bld s PRO 22 CO -0.07 -3.29 0.00 -0.35 0.04 0.00 0.00 177.00 173.33 1bld n PRO 23 N -4.61 -1.67 0.00 0.56 -0.04 -1.26 -4.94 135.00 123.04 1bld n PRO 23 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1bld n PRO 23 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1bld n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bld n GLY 24 N 0.00 -0.50 0.91 0.55 0.00 -1.26 -4.89 105.19 99.99 1bld n GLY 24 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.34 1.61 8.25 -1.26 -3.87 115.22 119.61 1bld n HIS 25 Ca 0.00 -0.27 -0.10 0.00 -0.26 0.00 0.00 57.72 57.09 1bld n HIS 25 Cb 0.00 -0.18 0.15 0.00 1.12 0.00 0.00 29.99 31.08 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 0.57 1.77 -0.52 4.41 3.01 -1.26 -3.78 117.46 121.66 1bld n PHE 26 Ca 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 57.45 57.34 1bld n PHE 26 Cb 0.30 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 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 -0.30 0.00 -4.29 -1.08 5.02 -1.25 -3.17 118.16 113.09 1bld n LYS 27 Ca 0.32 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.33 1bld n LYS 27 Cb 1.14 -0.10 -0.10 0.00 -0.02 0.00 0.00 35.03 35.95 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bld s ASP 28 N 0.00 4.16 0.65 4.39 1.01 -1.25 -4.96 116.67 120.67 1bld s ASP 28 Ca 0.00 -0.55 -0.18 0.00 0.71 0.00 0.00 52.55 52.54 1bld s ASP 28 Cb 0.00 -0.68 -0.02 0.00 1.01 0.00 0.00 42.92 43.23 1bld s ASP 28 CO 0.00 0.14 1.12 -0.81 0.21 0.00 0.00 175.17 175.82 1bld n PRO 29 N 0.37 0.90 -3.84 8.23 -0.04 -1.26 -4.41 135.00 134.94 1bld n PRO 29 Ca -0.13 0.36 -0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1bld n PRO 29 Cb 0.54 -2.35 -0.12 0.00 -0.04 0.00 0.00 33.50 31.53 1bld n PRO 29 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1bld s LYS 30 N -3.17 0.19 -0.15 0.54 1.02 -1.12 -3.37 119.74 113.69 1bld s LYS 30 Ca 0.79 0.05 -0.17 0.00 0.02 0.00 0.00 55.97 56.66 1bld s LYS 30 Cb -0.38 0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 36.97 1bld s LYS 30 CO 0.44 -0.03 0.44 1.03 -0.92 0.00 0.00 175.35 176.31 1bld s ARG 31 N -0.21 4.28 -0.07 1.68 0.52 -0.89 -3.80 118.95 120.45 1bld s ARG 31 Ca -0.03 0.34 -0.25 0.00 -0.52 0.00 0.00 55.73 55.27 1bld s ARG 31 Cb -0.02 -3.47 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 1bld s ARG 31 CO 0.00 0.09 0.77 -0.51 0.02 0.00 0.00 175.30 175.67 1bld s LEU 32 N 0.88 4.30 -0.25 2.53 1.43 -1.26 -2.32 118.68 123.98 1bld s LEU 32 Ca 0.23 1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 1bld s LEU 32 Cb -0.15 -3.20 0.03 0.00 0.03 0.00 0.00 46.19 42.91 1bld s LEU 32 CO 0.09 -0.19 -0.06 -0.47 0.23 0.00 0.00 176.35 175.95 1bld s TYR 33 N 1.09 3.09 -0.55 0.29 6.14 -1.25 -3.15 117.35 123.01 1bld s TYR 33 Ca 0.40 -1.61 -0.24 0.00 0.64 0.00 0.00 57.07 56.26 1bld s TYR 33 Cb -0.18 -2.06 0.04 0.00 0.42 0.00 0.00 41.96 40.18 1bld s TYR 33 CO 0.19 -0.74 0.91 0.00 0.64 0.00 0.00 175.55 176.55 1bld h LYS 35 N 9.28 0.29 -6.24 0.00 3.64 -1.80 -0.66 116.57 121.09 1bld h LYS 35 Ca -0.26 -0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.56 1bld h LYS 35 Cb 1.08 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1bld h LYS 35 CO 1.08 0.19 1.23 -0.80 -2.27 0.00 0.00 179.45 178.88 1bld s ASN 36 N -5.21 5.79 0.00 4.20 -0.87 -1.26 -2.49 114.94 115.09 1bld s ASN 36 Ca -0.08 0.61 0.00 0.00 -1.57 0.00 0.00 52.86 51.82 1bld s ASN 36 Cb 0.25 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.95 1bld s ASN 36 CO 0.80 -1.91 0.00 0.61 -2.57 0.00 0.00 177.10 174.03 1bld n GLY 37 N 5.44 0.60 3.95 0.66 0.00 -1.26 -3.81 105.19 110.76 1bld n GLY 37 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.24 -0.39 3.84 -0.02 0.00 -0.32 -4.92 105.19 101.13 1bld n GLY 38 Ca 0.00 0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.88 3.57 -0.39 1.61 0.08 -0.80 -4.73 117.98 113.44 1bld s PHE 39 Ca 0.12 0.54 -0.17 0.00 0.12 0.00 0.00 56.93 57.54 1bld s PHE 39 Cb -0.05 -2.03 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1bld s PHE 39 CO 0.90 0.62 0.46 -0.06 -0.10 0.00 0.00 175.22 177.04 1bld s PHE 40 N -0.70 3.17 0.41 0.36 0.40 -0.31 0.07 117.98 121.37 1bld s PHE 40 Ca 0.15 -0.15 -0.23 0.00 -0.60 0.00 0.00 56.93 56.10 1bld s PHE 40 Cb -0.12 -2.91 -0.13 0.00 0.51 0.00 0.00 43.02 40.37 1bld s PHE 40 CO 0.04 -0.63 0.58 -0.11 0.70 0.00 0.00 175.22 175.80 1bld n LEU 41 N 5.66 0.11 -3.91 -0.37 7.94 -1.19 -2.49 117.00 122.75 1bld n LEU 41 Ca -0.06 0.93 -0.10 0.00 -1.11 0.00 0.00 56.01 55.67 1bld n LEU 41 Cb 0.48 -1.12 -0.09 0.00 0.53 0.00 0.00 43.42 43.21 1bld n LEU 41 CO 0.46 -2.78 -0.19 -0.60 -1.11 0.00 0.00 177.39 173.16 1bld s ARG 42 N -1.58 0.59 -0.05 1.96 3.52 -0.99 -4.70 118.95 117.70 1bld s ARG 42 Ca 0.63 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.54 1bld s ARG 42 Cb -0.61 0.23 0.02 0.00 -1.56 0.00 0.00 34.95 33.03 1bld s ARG 42 CO 0.58 -0.15 -0.03 0.42 -0.81 0.00 0.00 175.30 175.31 1bld s ILE 43 N -2.46 0.49 0.20 4.11 1.01 -1.26 -2.52 121.20 120.77 1bld s ILE 43 Ca -0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.43 1bld s ILE 43 Cb -0.02 -0.54 -0.07 0.00 0.01 0.00 0.00 42.46 41.84 1bld s ILE 43 CO -0.04 0.23 0.52 -1.00 0.00 0.00 0.00 174.94 174.65 1bld s HIS 44 N 1.12 3.45 0.64 3.97 3.76 -0.95 -4.77 115.29 122.52 1bld s HIS 44 Ca -0.08 0.84 0.37 0.00 -0.15 0.00 0.00 55.06 56.03 1bld s HIS 44 Cb -0.14 -2.22 2.05 0.00 1.11 0.00 0.00 32.58 33.38 1bld s HIS 44 CO -0.01 0.32 2.23 -1.00 -0.85 0.00 0.00 174.74 175.42 1bld h PRO 45 N 2.71 0.00 0.00 8.40 0.13 -1.87 0.10 132.00 141.47 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bld h PRO 45 CO 0.69 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 1bld n ASP 46 N -3.32 0.25 0.00 1.44 5.68 -1.26 -4.86 116.55 114.49 1bld n ASP 46 Ca -0.02 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 1bld n ASP 46 Cb 0.17 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.55 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 0.69 0.94 3.56 6.12 0.00 0.36 -5.01 105.19 111.85 1bld n GLY 47 Ca 0.05 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1bld n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bld s ARG 48 N -0.55 3.67 -0.08 1.61 0.52 -1.24 -3.96 118.95 118.92 1bld s ARG 48 Ca 0.00 -0.12 -0.20 0.00 -0.52 0.00 0.00 55.73 54.89 1bld s ARG 48 Cb 0.00 -3.79 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 1bld s ARG 48 CO 0.00 -0.60 0.56 0.08 0.02 0.00 0.00 175.30 175.36 1bld s VAL 49 N 2.36 5.09 0.00 3.52 1.01 -1.26 -2.23 120.40 128.88 1bld s VAL 49 Ca 0.18 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1bld s VAL 49 Cb -0.16 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1bld s VAL 49 CO 0.13 0.33 0.00 -0.90 0.00 0.00 0.00 175.10 174.66 1bld n ASP 50 N 3.43 0.00 -3.72 3.32 5.75 -1.05 -4.59 116.55 119.70 1bld n ASP 50 Ca -0.06 -0.30 -0.14 0.00 -0.01 0.00 0.00 54.79 54.28 1bld n ASP 50 Cb 0.51 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.46 1bld n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bld s GLY 51 N -0.30 -0.02 0.04 6.12 0.00 -0.58 -2.35 107.32 110.23 1bld s GLY 51 Ca 0.00 0.69 -0.04 0.00 0.00 0.00 0.00 44.72 45.37 1bld s GLY 51 CO 0.00 1.22 0.06 -1.34 0.00 0.00 0.00 173.10 173.04 1bld s VAL 52 N 1.50 0.15 -0.49 1.40 -7.23 -1.04 -4.54 120.40 110.15 1bld s VAL 52 Ca -0.06 -1.22 0.23 0.00 -1.81 0.00 0.00 61.98 59.12 1bld s VAL 52 Cb -0.12 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 1bld s VAL 52 CO -0.06 -0.67 1.09 0.54 -0.31 0.00 0.00 175.10 175.68 1bld n ARG 53 N 0.69 0.39 -1.52 4.82 1.74 -1.26 -1.16 116.66 120.36 1bld n ARG 53 Ca -0.18 0.05 -0.29 0.00 -0.77 0.00 0.00 57.85 56.65 1bld n ARG 53 Cb 0.59 -1.68 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 1bld n ARG 53 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1bld n GLU 54 N -2.21 0.23 0.00 5.56 1.02 -1.26 -4.66 120.64 119.32 1bld n GLU 54 Ca 0.01 -0.13 0.15 0.00 -0.02 0.00 0.00 57.16 57.17 1bld n GLU 54 Cb 0.47 -1.92 0.72 0.00 -0.02 0.00 0.00 31.44 30.69 1bld n GLU 54 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1bld n LYS 55 N 7.53 0.90 -0.15 3.49 2.85 -1.26 -3.24 118.16 128.27 1bld n LYS 55 Ca 0.60 -0.25 0.05 0.00 -1.05 0.00 0.00 58.31 57.66 1bld n LYS 55 Cb 0.20 -1.49 0.13 0.00 -0.65 0.00 0.00 35.03 33.22 1bld n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1bld n SER 56 N -0.84 1.58 -4.32 -5.58 3.41 -1.26 -4.40 113.62 102.21 1bld n SER 56 Ca 0.18 -2.00 -0.41 0.00 -0.26 0.00 0.00 58.87 56.38 1bld n SER 56 Cb 0.23 -0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 1bld n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bld s ASP 57 N -1.00 5.78 0.00 4.04 -1.08 -1.20 -4.92 116.67 118.29 1bld s ASP 57 Ca 0.20 -1.36 0.02 0.00 -0.52 0.00 0.00 52.55 50.89 1bld s ASP 57 Cb 0.10 -2.04 0.11 0.00 -1.46 0.00 0.00 42.92 39.63 1bld s ASP 57 CO 0.13 -0.53 0.50 -2.65 0.52 0.00 0.00 175.17 173.14 1bld n PRO 58 N 5.00 0.08 0.12 4.34 -0.02 -1.26 -1.75 135.00 141.51 1bld n PRO 58 Ca -0.11 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.36 1bld n PRO 58 Cb 0.44 -1.38 0.06 0.00 -0.02 0.00 0.00 33.50 32.60 1bld n PRO 58 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bld h HIS 59 N 0.00 0.00 0.00 6.00 3.86 -1.94 -2.90 115.15 120.17 1bld h HIS 59 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bld h HIS 59 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1bld h HIS 59 CO 0.00 0.68 0.00 0.44 0.86 0.00 0.00 177.93 179.91 1bld n ILE 60 N -3.44 0.63 -2.25 2.45 -5.35 -0.72 -4.43 119.36 106.25 1bld n ILE 60 Ca 0.00 0.16 -0.34 0.00 -0.27 0.00 0.00 62.75 62.30 1bld n ILE 60 Cb 0.74 -0.85 -0.04 0.00 -1.74 0.00 0.00 39.64 37.75 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 -2.81 2.94 -0.03 6.28 1.02 -1.10 -4.62 119.74 121.43 1bld s LYS 61 Ca 0.13 -0.44 -0.18 0.00 0.02 0.00 0.00 55.97 55.50 1bld s LYS 61 Cb 0.12 -5.00 -0.05 0.00 -0.52 0.00 0.00 37.83 32.38 1bld s LYS 61 CO 0.31 -2.83 0.49 -0.51 -0.92 0.00 0.00 175.35 171.89 1bld s LEU 62 N 7.99 4.40 -0.47 3.17 1.43 -1.25 -3.21 118.68 130.75 1bld s LEU 62 Ca 0.59 1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 54.47 1bld s LEU 62 Cb -0.05 -2.74 0.03 0.00 0.03 0.00 0.00 46.19 43.46 1bld s LEU 62 CO 0.00 0.16 0.77 -1.58 0.23 0.00 0.00 176.35 175.94 1bld s GLN 63 N -0.33 3.35 0.28 1.70 0.74 0.23 -2.78 119.66 122.84 1bld s GLN 63 Ca 0.27 -0.25 -0.07 0.00 0.05 0.00 0.00 55.36 55.36 1bld s GLN 63 Cb -0.17 -3.97 -0.06 0.00 1.10 0.00 0.00 33.01 29.91 1bld s GLN 63 CO 0.14 -1.17 0.57 -0.51 -0.55 0.00 0.00 175.29 173.77 1bld s LEU 64 N 3.25 4.07 -0.12 3.68 1.02 -1.26 -1.29 118.68 128.04 1bld s LEU 64 Ca 0.27 0.82 -0.08 0.00 0.02 0.00 0.00 54.13 55.16 1bld s LEU 64 Cb -0.13 -3.62 0.04 0.00 0.02 0.00 0.00 46.19 42.50 1bld s LEU 64 CO 0.21 -0.17 0.29 -1.58 0.02 0.00 0.00 176.35 175.11 1bld s GLN 65 N -3.34 0.29 0.79 1.70 0.74 -0.13 -4.13 119.66 115.59 1bld s GLN 65 Ca 0.46 0.52 -0.12 0.00 0.05 0.00 0.00 55.36 56.27 1bld s GLN 65 Cb -0.11 0.01 0.07 0.00 1.10 0.00 0.00 33.01 34.08 1bld s GLN 65 CO 0.27 -0.11 1.17 0.00 -0.55 0.00 0.00 175.29 176.07 1bld s ALA 66 N 0.84 2.69 0.00 1.58 0.00 -1.19 0.34 121.76 126.02 1bld s ALA 66 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1bld s ALA 66 Cb -0.07 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1bld s ALA 66 CO -0.06 -1.60 0.00 -1.91 0.00 0.00 0.00 175.76 172.19 1bld n GLU 67 N -3.27 0.00 -0.46 0.00 0.00 -0.66 -4.72 120.64 111.53 1bld n GLU 67 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1bld n GLU 67 Cb 0.60 -0.37 0.00 0.00 0.00 0.00 0.00 31.44 31.67 1bld n GLU 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1bld n GLU 68 N -0.93 0.00 -1.59 5.31 0.00 -0.96 -4.96 120.64 117.51 1bld n GLU 68 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.79 1bld n GLU 68 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 1bld n GLU 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1bld n ARG 69 N 0.00 3.91 0.00 5.31 1.74 -1.26 -3.88 116.66 122.48 1bld n ARG 69 Ca 0.00 -2.66 0.00 0.00 -0.77 0.00 0.00 57.85 54.42 1bld n ARG 69 Cb 0.00 -2.64 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bld n GLY 70 N 2.58 1.02 3.82 -0.13 0.00 -1.26 -5.09 105.19 106.13 1bld n GLY 70 Ca 0.68 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 5.01 0.36 1.61 1.01 -1.25 -2.55 120.40 124.59 1bld s VAL 71 Ca 0.00 0.90 0.07 0.00 0.00 0.00 0.00 61.98 62.95 1bld s VAL 71 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1bld s VAL 71 CO 0.00 0.54 0.26 0.68 0.00 0.00 0.00 175.10 176.58 1bld s VAL 72 N -0.85 0.10 -0.11 2.92 -7.23 -1.25 -1.65 120.40 112.33 1bld s VAL 72 Ca 0.25 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.37 1bld s VAL 72 Cb -0.17 -2.45 0.05 0.00 0.56 0.00 0.00 36.38 34.37 1bld s VAL 72 CO 0.14 0.00 0.22 -0.44 -0.31 0.00 0.00 175.10 174.70 1bld s SER 73 N -3.44 0.39 0.13 4.85 0.01 0.15 -3.94 113.70 111.86 1bld s SER 73 Ca 0.37 0.47 -0.08 0.00 1.31 0.00 0.00 55.95 58.02 1bld s SER 73 Cb 0.02 0.48 -0.06 0.00 0.21 0.00 0.00 66.02 66.67 1bld s SER 73 CO 0.26 -0.23 0.42 -0.63 0.41 0.00 0.00 173.24 173.47 1bld s ILE 74 N 2.16 5.09 -0.09 1.44 1.01 -1.26 -0.96 121.20 128.59 1bld s ILE 74 Ca -0.00 0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 1bld s ILE 74 Cb -0.12 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1bld s ILE 74 CO -0.07 0.14 0.23 -0.75 0.00 0.00 0.00 174.94 174.48 1bld s LYS 75 N -2.34 0.27 0.18 2.79 2.20 -0.41 -4.06 119.74 118.39 1bld s LYS 75 Ca 0.38 0.32 -0.28 0.00 -0.36 0.00 0.00 55.97 56.03 1bld s LYS 75 Cb -0.13 0.13 -0.08 0.00 -1.51 0.00 0.00 37.83 36.25 1bld s LYS 75 CO 0.21 -0.03 0.89 0.20 -0.36 0.00 0.00 175.35 176.25 1bld s GLY 76 N 0.11 3.02 -0.02 5.54 0.00 -0.07 0.75 107.32 116.65 1bld s GLY 76 Ca -0.00 0.52 -0.00 0.00 0.00 0.00 0.00 44.72 45.24 1bld s GLY 76 CO 0.00 1.14 0.00 -2.08 0.00 0.00 0.00 173.10 172.16 1bld h VAL 77 N 3.42 0.00 0.00 1.40 2.07 -1.84 -2.47 116.25 118.82 1bld h VAL 77 Ca -0.45 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1bld h VAL 77 Cb 1.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1bld h VAL 77 CO 0.68 0.00 0.00 0.28 0.02 0.00 0.00 177.57 178.55 1bld h SER 78 N -0.19 0.00 1.04 0.57 0.02 -1.82 -3.05 113.55 110.12 1bld h SER 78 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1bld h SER 78 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1bld h SER 78 CO 0.00 0.00 -1.01 0.00 -1.14 0.00 0.00 176.83 174.68 1bld h ALA 79 N 2.38 0.64 -6.36 3.77 0.00 -1.86 -3.45 119.26 114.38 1bld h ALA 79 Ca 0.00 -0.48 -0.48 0.00 0.00 0.00 0.00 54.91 53.95 1bld h ALA 79 Cb 0.68 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1bld h ALA 79 CO 0.00 0.55 -0.83 0.09 0.00 0.00 0.00 179.25 179.07 1bld n ASN 80 N -2.92 -2.30 -3.80 0.00 4.13 -0.93 -4.82 115.26 104.61 1bld n ASN 80 Ca -0.04 -0.89 -0.12 0.00 1.68 0.00 0.00 54.58 55.21 1bld n ASN 80 Cb 0.72 -3.55 -0.10 0.00 -1.54 0.00 0.00 39.78 35.32 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1bld s ARG 81 N -6.46 0.53 -0.13 3.52 0.52 -1.25 -4.56 118.95 111.12 1bld s ARG 81 Ca 0.30 -0.16 -0.15 0.00 -0.52 0.00 0.00 55.73 55.20 1bld s ARG 81 Cb -0.16 0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.50 1bld s ARG 81 CO 0.85 -0.13 0.36 0.71 0.02 0.00 0.00 175.30 177.11 1bld s TYR 82 N -1.07 3.50 0.59 -0.53 1.51 0.71 -0.90 117.35 121.16 1bld s TYR 82 Ca -0.11 0.72 -0.20 0.00 -1.01 0.00 0.00 57.07 56.46 1bld s TYR 82 Cb -0.05 -2.40 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 1bld s TYR 82 CO 0.03 0.25 1.34 -1.17 -1.11 0.00 0.00 175.55 174.88 1bld s LEU 83 N 0.38 3.74 -0.14 -1.29 2.96 -1.26 -2.34 118.68 120.73 1bld s LEU 83 Ca 0.20 2.72 -0.11 0.00 -0.22 0.00 0.00 54.13 56.71 1bld s LEU 83 Cb -0.14 -4.41 0.04 0.00 0.50 0.00 0.00 46.19 42.18 1bld s LEU 83 CO 0.07 -1.75 0.36 0.00 -1.32 0.00 0.00 176.35 173.70 1bld s ALA 84 N -1.34 -0.89 -0.18 5.97 0.00 0.10 -4.08 121.76 121.34 1bld s ALA 84 Ca 0.76 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 53.75 1bld s ALA 84 Cb -0.39 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 1bld s ALA 84 CO 0.45 -0.19 0.12 1.41 0.00 0.00 0.00 175.76 177.55 1bld s MET 85 N 0.52 3.98 0.59 0.00 1.75 -1.11 -1.41 119.30 123.63 1bld s MET 85 Ca -0.03 -0.21 -0.13 0.00 -1.25 0.00 0.00 55.69 54.07 1bld s MET 85 Cb -0.04 -3.34 -0.05 0.00 2.84 0.00 0.00 34.83 34.24 1bld s MET 85 CO -0.03 0.41 1.02 0.15 -0.65 0.00 0.00 175.02 175.92 1bld s LYS 86 N 0.03 3.62 0.58 4.11 -0.14 -0.32 -4.89 119.74 122.73 1bld s LYS 86 Ca 0.09 0.89 0.36 0.00 -1.36 0.00 0.00 55.97 55.96 1bld s LYS 86 Cb -0.11 -2.08 1.73 0.00 -1.68 0.00 0.00 37.83 35.68 1bld s LYS 86 CO -0.00 -0.55 2.13 1.05 -0.76 0.00 0.00 175.35 177.21 1bld h GLU 87 N 0.16 0.00 0.15 1.68 4.11 -1.98 -2.81 114.58 115.87 1bld h GLU 87 Ca -0.45 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.69 1bld h GLU 87 Cb 1.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1bld h GLU 87 CO 0.61 0.03 -1.44 0.38 0.07 0.00 0.00 179.01 178.66 1bld h ASP 88 N 0.00 0.49 0.00 3.06 2.03 -2.02 -3.48 116.42 116.49 1bld h ASP 88 Ca -0.00 -0.89 0.00 0.00 -0.73 0.00 0.00 57.03 55.41 1bld h ASP 88 Cb 0.31 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1bld h ASP 88 CO 0.00 1.65 0.00 0.61 -1.03 0.00 0.00 179.24 180.47 1bld n GLY 89 N 1.76 0.10 3.67 7.15 0.00 -1.06 -4.25 105.19 112.56 1bld n GLY 89 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 4.26 -0.13 1.61 1.81 -1.26 -2.23 118.95 123.00 1bld s ARG 90 Ca 0.00 1.84 -0.17 0.00 -1.72 0.00 0.00 55.73 55.68 1bld s ARG 90 Cb 0.00 -3.72 -0.04 0.00 -0.45 0.00 0.00 34.95 30.74 1bld s ARG 90 CO 0.00 -0.65 0.45 -0.51 -0.68 0.00 0.00 175.30 173.90 1bld s LEU 91 N 3.08 4.26 0.00 2.53 1.02 -1.26 -1.18 118.68 127.13 1bld s LEU 91 Ca 0.61 0.75 0.00 0.00 0.02 0.00 0.00 54.13 55.51 1bld s LEU 91 Cb -0.27 -2.64 -0.00 0.00 0.02 0.00 0.00 46.19 43.30 1bld s LEU 91 CO 0.22 0.01 0.21 0.00 0.02 0.00 0.00 176.35 176.81 1bld n LEU 92 N 3.70 0.00 -3.97 1.79 -0.00 -0.50 -4.48 117.00 113.54 1bld n LEU 92 Ca -0.08 -1.39 -0.09 0.00 -0.00 0.00 0.00 56.01 54.45 1bld n LEU 92 Cb 0.52 1.11 -0.10 0.00 -0.00 0.00 0.00 43.42 44.95 1bld n LEU 92 CO 0.43 -0.30 -0.28 0.00 -0.00 0.00 0.00 177.39 177.24 1bld s ALA 93 N -2.26 0.08 0.14 1.47 0.00 -1.25 0.02 121.76 119.96 1bld s ALA 93 Ca 0.15 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 1bld s ALA 93 Cb -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1bld s ALA 93 CO 0.11 -0.27 0.23 -1.54 0.00 0.00 0.00 175.76 174.28 1bld s SER 94 N -2.03 0.10 0.26 0.00 1.04 -0.99 -4.82 113.70 107.26 1bld s SER 94 Ca -0.07 -0.86 0.05 0.00 0.48 0.00 0.00 55.95 55.55 1bld s SER 94 Cb -0.02 0.39 0.35 0.00 0.10 0.00 0.00 66.02 66.84 1bld s SER 94 CO -0.04 -0.83 1.63 0.11 0.98 0.00 0.00 173.24 175.09 1bld h LYS 95 N 2.64 0.28 -6.04 4.02 1.79 -1.89 0.20 116.57 117.57 1bld h LYS 95 Ca -0.33 -0.16 -0.57 0.00 -2.18 0.00 0.00 60.65 57.42 1bld h LYS 95 Cb 1.22 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.82 1bld h LYS 95 CO 0.52 0.71 0.24 0.45 -1.08 0.00 0.00 179.45 180.29 1bld s SER 96 N -6.88 7.02 -1.13 0.86 0.15 -1.26 -4.62 113.70 107.84 1bld s SER 96 Ca -0.05 1.24 -0.19 0.00 0.70 0.00 0.00 55.95 57.64 1bld s SER 96 Cb 0.13 -2.45 0.08 0.00 -1.71 0.00 0.00 66.02 62.07 1bld s SER 96 CO 0.79 -0.25 1.50 0.54 1.20 0.00 0.00 173.24 177.02 1bld s VAL 97 N 1.39 4.25 0.00 4.45 0.11 -1.26 -4.76 120.40 124.58 1bld s VAL 97 Ca 0.39 -1.52 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 1bld s VAL 97 Cb -0.18 -5.05 0.00 0.00 -1.53 0.00 0.00 36.38 29.63 1bld s VAL 97 CO 0.17 -1.87 0.00 0.35 -3.33 0.00 0.00 175.10 170.42 1bld n THR 98 N 6.22 0.00 0.11 5.04 -2.24 -1.26 -4.89 114.28 117.27 1bld n THR 98 Ca 0.38 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.15 1bld n THR 98 Cb 0.48 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 1bld n THR 98 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1bld h ASP 99 N -0.85 0.00 0.00 3.42 5.19 -1.99 -3.12 116.42 119.07 1bld h ASP 99 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bld h ASP 99 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1bld h ASP 99 CO 0.00 0.68 0.00 -0.62 -3.12 0.00 0.00 179.24 176.18 1bld n GLU 100 N -3.27 0.39 0.00 3.56 4.71 -1.26 -1.73 120.64 123.04 1bld n GLU 100 Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.28 1bld n GLU 100 Cb 0.81 -1.13 0.17 0.00 -1.01 0.00 0.00 31.44 30.27 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 -2.30 3.39 -0.19 0.00 0.08 -0.70 -4.22 117.98 114.04 1bld s PHE 102 Ca 0.25 1.16 -0.05 0.00 0.12 0.00 0.00 56.93 58.40 1bld s PHE 102 Cb 0.19 -2.49 0.09 0.00 -0.57 0.00 0.00 43.02 40.24 1bld s PHE 102 CO 0.46 0.13 0.35 -0.06 -0.10 0.00 0.00 175.22 176.01 1bld s PHE 103 N -1.95 -0.66 0.13 0.36 0.08 -1.25 -3.80 117.98 110.89 1bld s PHE 103 Ca 0.53 1.17 -0.31 0.00 0.12 0.00 0.00 56.93 58.43 1bld s PHE 103 Cb -0.10 0.12 -0.10 0.00 -0.57 0.00 0.00 43.02 42.37 1bld s PHE 103 CO 0.18 -0.49 1.62 -0.06 -0.10 0.00 0.00 175.22 176.37 1bld s PHE 104 N 2.53 2.79 -0.13 0.36 0.08 0.33 -3.95 117.98 119.99 1bld s PHE 104 Ca 0.02 0.47 -0.11 0.00 0.12 0.00 0.00 56.93 57.44 1bld s PHE 104 Cb -0.13 -3.96 -0.05 0.00 -0.57 0.00 0.00 43.02 38.31 1bld s PHE 104 CO -0.12 -3.69 0.22 -2.00 -0.10 0.00 0.00 175.22 169.53 1bld s GLU 105 N 1.73 3.91 -0.08 0.44 2.12 -1.06 -0.90 118.70 124.86 1bld s GLU 105 Ca 0.72 -0.00 -0.04 0.00 0.36 0.00 0.00 54.97 56.00 1bld s GLU 105 Cb -0.43 -3.31 0.04 0.00 0.26 0.00 0.00 34.13 30.69 1bld s GLU 105 CO 0.32 0.51 0.19 0.50 -0.54 0.00 0.00 175.26 176.24 1bld s ARG 106 N -0.31 0.16 -0.27 4.30 3.52 -0.82 -4.92 118.95 120.61 1bld s ARG 106 Ca 0.15 0.43 -0.15 0.00 -0.13 0.00 0.00 55.73 56.03 1bld s ARG 106 Cb -0.13 -0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.11 1bld s ARG 106 CO 0.04 -0.15 0.36 -1.17 -0.81 0.00 0.00 175.30 173.58 1bld s LEU 107 N 1.07 4.04 0.72 -0.88 2.96 -1.26 -0.94 118.68 124.38 1bld s LEU 107 Ca -0.08 0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1bld s LEU 107 Cb -0.10 -2.41 0.07 0.00 0.50 0.00 0.00 46.19 44.26 1bld s LEU 107 CO -0.06 -0.17 1.03 -1.61 -1.32 0.00 0.00 176.35 174.21 1bld s GLU 108 N 2.03 2.08 -0.49 1.98 2.02 -1.06 -4.92 118.70 120.35 1bld s GLU 108 Ca 0.15 -0.32 -0.07 0.00 0.02 0.00 0.00 54.97 54.75 1bld s GLU 108 Cb -0.16 -2.17 -0.19 0.00 0.10 0.00 0.00 34.13 31.71 1bld s GLU 108 CO 0.10 -1.31 3.18 0.45 0.02 0.00 0.00 175.26 177.70 1bld n SER 109 N -2.95 5.85 -0.71 -0.19 2.88 -1.26 -3.51 113.62 113.73 1bld n SER 109 Ca 0.09 -2.44 -0.01 0.00 -1.33 0.00 0.00 58.87 55.19 1bld n SER 109 Cb 0.60 -1.35 -0.01 0.00 -0.75 0.00 0.00 64.21 62.70 1bld n SER 109 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1bld n ASN 110 N 2.92 -0.02 0.00 -3.46 2.85 -1.26 -4.96 115.26 111.33 1bld n ASN 110 Ca 0.50 -1.61 0.00 0.00 -0.11 0.00 0.00 54.58 53.36 1bld n ASN 110 Cb 0.64 -0.06 0.00 0.00 1.24 0.00 0.00 39.78 41.60 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1bld n ASN 111 N 0.07 -0.14 -4.80 1.20 4.13 -1.23 -4.91 115.26 109.58 1bld n ASN 111 Ca -0.04 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.86 1bld n ASN 111 Cb 0.68 -2.49 -0.07 0.00 -1.54 0.00 0.00 39.78 36.36 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 -1.04 3.46 0.49 3.10 2.02 -1.26 -4.89 117.35 119.23 1bld s TYR 112 Ca 0.00 0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 57.08 1bld s TYR 112 Cb 0.00 -1.94 -0.00 0.00 -0.40 0.00 0.00 41.96 39.61 1bld s TYR 112 CO 0.00 0.59 0.74 -0.80 -1.57 0.00 0.00 175.55 174.51 1bld s ASN 113 N -0.74 5.81 -0.10 2.29 0.01 -0.04 -2.56 114.94 119.61 1bld s ASN 113 Ca 0.13 0.47 -0.03 0.00 -0.71 0.00 0.00 52.86 52.72 1bld s ASN 113 Cb -0.12 -1.66 0.05 0.00 0.41 0.00 0.00 41.25 39.93 1bld s ASN 113 CO 0.03 -0.78 0.14 0.42 -1.51 0.00 0.00 177.10 175.39 1bld s THR 114 N -2.69 -0.21 -0.30 1.60 -4.23 -0.12 -2.28 115.64 107.41 1bld s THR 114 Ca 0.50 0.27 -0.13 0.00 -1.18 0.00 0.00 61.69 61.15 1bld s THR 114 Cb -0.10 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 1bld s THR 114 CO 0.41 0.08 0.27 -0.31 -0.54 0.00 0.00 174.62 174.52 1bld s TYR 115 N 2.25 3.23 0.03 3.99 2.02 -1.26 -1.95 117.35 125.66 1bld s TYR 115 Ca 0.04 0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.86 1bld s TYR 115 Cb -0.13 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 38.90 1bld s TYR 115 CO -0.06 -0.25 0.15 1.03 -1.57 0.00 0.00 175.55 174.85 1bld s ARG 116 N 1.88 3.24 0.63 -0.62 0.52 -0.08 -2.56 118.95 121.96 1bld s ARG 116 Ca 0.10 -0.47 -0.14 0.00 -0.52 0.00 0.00 55.73 54.69 1bld s ARG 116 Cb -0.16 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 1bld s ARG 116 CO 0.11 0.63 1.07 0.45 0.02 0.00 0.00 175.30 177.57 1bld s SER 117 N -2.18 5.54 0.00 0.23 0.15 -1.07 -0.51 113.70 115.87 1bld s SER 117 Ca 0.29 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.73 1bld s SER 117 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1bld s SER 117 CO 0.21 -1.33 0.00 -1.14 1.20 0.00 0.00 173.24 172.18 1bld n ARG 118 N -2.41 0.00 0.08 5.44 0.63 -1.25 -2.67 116.66 116.48 1bld n ARG 118 Ca 0.09 0.07 0.02 0.00 -0.92 0.00 0.00 57.85 57.11 1bld n ARG 118 Cb 0.53 -0.40 0.13 0.00 0.45 0.00 0.00 32.46 33.17 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 -1.34 0.04 -3.10 -0.14 3.00 -1.26 -2.01 118.16 113.34 1bld n LYS 119 Ca 0.00 0.38 -0.20 0.00 -0.00 0.00 0.00 58.31 58.49 1bld n LYS 119 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 35.03 33.02 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 -1.60 -0.79 0.53 5.64 4.01 -1.26 -4.93 117.16 118.77 1bld n TYR 120 Ca -0.00 -3.30 0.02 0.00 -0.16 0.00 0.00 57.90 54.46 1bld n TYR 120 Cb 0.37 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.53 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 0.78 -0.72 -2.24 -0.85 -1.98 114.28 110.39 1bld n THR 121 Ca 0.19 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.04 1bld n THR 121 Cb 0.58 -0.62 0.18 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.75 2.06 -3.73 3.42 7.64 -1.26 -4.83 113.62 116.17 1bld n SER 122 Ca 0.03 -1.99 -0.13 0.00 1.01 0.00 0.00 58.87 57.79 1bld n SER 122 Cb 0.01 -0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 62.87 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 -1.49 -0.40 0.32 1.43 0.51 -0.84 -4.96 118.94 113.51 1bld s TRP 123 Ca 0.26 0.92 0.08 0.00 -2.12 0.00 0.00 56.10 55.25 1bld s TRP 123 Cb 0.14 0.16 -0.04 0.00 -0.81 0.00 0.00 33.47 32.91 1bld s TRP 123 CO 0.18 -0.28 0.14 0.71 -0.51 0.00 0.00 176.95 177.20 1bld s TYR 124 N -0.20 2.76 0.19 -1.98 1.51 -1.26 -2.58 117.35 115.78 1bld s TYR 124 Ca -0.04 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.41 1bld s TYR 124 Cb -0.03 -1.57 -0.08 0.00 -0.11 0.00 0.00 41.96 40.17 1bld s TYR 124 CO 0.02 0.38 0.91 0.08 -1.11 0.00 0.00 175.55 175.83 1bld s VAL 125 N -2.37 4.25 0.30 0.71 1.01 -1.06 -4.80 120.40 118.43 1bld s VAL 125 Ca 0.37 2.01 -0.07 0.00 0.00 0.00 0.00 61.98 64.28 1bld s VAL 125 Cb -0.04 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1bld s VAL 125 CO 0.23 0.45 0.52 0.00 0.00 0.00 0.00 175.10 176.30 1bld n ALA 126 N 1.88 -0.90 -2.41 5.51 0.00 -1.26 -4.40 120.51 118.93 1bld n ALA 126 Ca -0.02 -1.12 -0.11 0.00 0.00 0.00 0.00 53.44 52.20 1bld n ALA 126 Cb 0.48 0.90 -0.09 0.00 0.00 0.00 0.00 19.45 20.74 1bld n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bld s LEU 127 N 0.00 1.05 0.00 0.00 1.43 -1.26 -4.24 118.68 115.66 1bld s LEU 127 Ca 0.17 -1.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.04 1bld s LEU 127 Cb -0.03 0.68 0.11 0.00 0.03 0.00 0.00 46.19 46.98 1bld s LEU 127 CO 0.12 -0.89 0.78 0.29 0.23 0.00 0.00 176.35 176.89 1bld n LYS 128 N -0.27 0.24 0.01 1.70 5.02 -0.25 -4.62 118.16 119.99 1bld n LYS 128 Ca -0.00 -2.40 0.11 0.00 -2.02 0.00 0.00 58.31 54.01 1bld n LYS 128 Cb 0.65 -0.43 0.11 0.00 -0.02 0.00 0.00 35.03 35.33 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 -2.38 0.09 -0.07 1.97 1.85 -1.26 -3.79 116.66 113.07 1bld n ARG 129 Ca 0.14 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 57.11 1bld n ARG 129 Cb 0.50 -1.53 0.33 0.00 -1.05 0.00 0.00 32.46 30.71 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 -1.65 0.18 -0.41 8.89 5.66 -1.26 -4.89 114.28 120.80 1bld n THR 130 Ca 0.04 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 1bld n THR 130 Cb 0.37 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 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 1.26 0.75 3.97 1.09 0.00 -1.25 -5.02 105.19 105.99 1bld n GLY 131 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.59 2.57 -0.26 1.61 1.11 -1.26 -1.52 119.66 121.32 1bld s GLN 132 Ca 0.00 -0.77 -0.18 0.00 0.01 0.00 0.00 55.36 54.42 1bld s GLN 132 Cb 0.00 -2.49 -0.03 0.00 -1.01 0.00 0.00 33.01 29.48 1bld s GLN 132 CO 0.00 -0.69 0.50 1.52 0.01 0.00 0.00 175.29 176.63 1bld s TYR 133 N -2.75 3.28 0.22 0.91 1.13 -1.26 -1.09 117.35 117.78 1bld s TYR 133 Ca 0.57 0.63 -0.30 0.00 -1.41 0.00 0.00 57.07 56.56 1bld s TYR 133 Cb -0.10 -2.70 -0.09 0.00 -1.10 0.00 0.00 41.96 37.96 1bld s TYR 133 CO 0.38 -0.26 1.29 0.21 -2.51 0.00 0.00 175.55 174.66 1bld s LYS 134 N 2.22 4.41 -0.15 -3.49 2.20 -1.26 -4.83 119.74 118.83 1bld s LYS 134 Ca 0.21 2.05 -0.39 0.00 -0.36 0.00 0.00 55.97 57.47 1bld s LYS 134 Cb -0.16 -3.18 -0.16 0.00 -1.51 0.00 0.00 37.83 32.82 1bld s LYS 134 CO 0.09 -0.20 1.59 -0.11 -0.36 0.00 0.00 175.35 176.36 1bld n LEU 135 N 2.27 2.04 0.20 5.43 7.94 -1.26 -4.75 117.00 128.87 1bld n LEU 135 Ca 0.05 1.10 0.18 0.00 -1.11 0.00 0.00 56.01 56.22 1bld n LEU 135 Cb 0.43 -1.15 0.81 0.00 0.53 0.00 0.00 43.42 44.04 1bld n LEU 135 CO 0.58 -0.69 1.16 1.23 -1.11 0.00 0.00 177.39 178.55 1bld h GLY 136 N 6.14 0.00 1.98 -3.96 0.00 -1.75 0.47 103.07 105.94 1bld h GLY 136 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1bld h GLY 136 CO 0.89 0.00 -0.10 1.48 0.00 0.00 0.00 176.54 178.81 1bld h SER 137 N 0.00 0.00 0.44 0.19 4.64 -1.81 -3.12 113.55 113.89 1bld h SER 137 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1bld h SER 137 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1bld h SER 137 CO -0.00 0.08 -0.45 0.29 -0.87 0.00 0.00 176.83 175.88 1bld n LYS 138 N -3.11 0.19 -1.67 4.77 5.02 0.16 -4.90 118.16 118.61 1bld n LYS 138 Ca 0.04 -0.11 -0.32 0.00 -2.02 0.00 0.00 58.31 55.90 1bld n LYS 138 Cb 0.56 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.89 3.72 0.00 -0.18 -4.23 -1.01 -5.00 115.64 106.05 1bld s THR 139 Ca 0.14 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 1bld s THR 139 Cb 0.18 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1bld s THR 139 CO 0.66 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1bld n GLY 140 N -1.34 -0.97 3.42 3.99 0.00 -1.26 -4.73 105.19 104.31 1bld n GLY 140 Ca 0.09 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1bld n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bld s PRO 141 N -2.00 -1.62 0.00 1.61 0.04 -1.26 -3.34 135.00 128.43 1bld s PRO 141 Ca 0.00 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1bld s PRO 141 Cb 0.00 -1.49 0.00 0.00 0.04 0.00 0.00 34.50 33.05 1bld s PRO 141 CO 0.00 -4.14 0.00 0.41 0.04 0.00 0.00 177.00 173.31 1bld n GLY 142 N 1.06 1.58 3.72 0.56 0.00 -1.26 -4.95 105.19 105.90 1bld n GLY 142 Ca 0.05 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 4.52 0.00 1.61 -0.21 -1.21 -4.92 119.66 119.44 1bld s GLN 143 Ca 0.00 1.14 0.31 0.00 0.02 0.00 0.00 55.36 56.83 1bld s GLN 143 Cb 0.00 -3.42 1.59 0.00 1.00 0.00 0.00 33.01 32.18 1bld s GLN 143 CO 0.00 0.12 2.05 1.63 -2.12 0.00 0.00 175.29 176.97 1bld n LYS 144 N 3.41 1.16 0.00 2.91 5.02 -1.26 -3.70 118.16 125.70 1bld n LYS 144 Ca 0.01 -0.31 0.01 0.00 -2.02 0.00 0.00 58.31 56.00 1bld n LYS 144 Cb 0.51 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.65 1.13 0.99 7.82 0.00 -1.26 -0.23 120.51 128.31 1bld n ALA 145 Ca 0.22 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.77 1bld n ALA 145 Cb 0.20 -1.02 0.31 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.44 0.20 -3.07 0.00 -5.35 -1.24 -4.25 119.36 104.21 1bld n ILE 146 Ca 0.00 -0.47 -0.45 0.00 -0.27 0.00 0.00 62.75 61.57 1bld n ILE 146 Cb 0.02 0.79 -0.02 0.00 -1.74 0.00 0.00 39.64 38.68 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 -1.72 5.65 0.37 7.28 1.43 0.68 -4.30 118.68 128.06 1bld s LEU 147 Ca 0.34 -2.22 0.07 0.00 -1.03 0.00 0.00 54.13 51.29 1bld s LEU 147 Cb 0.20 -2.33 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 1bld s LEU 147 CO 0.30 -0.90 0.50 -0.36 0.23 0.00 0.00 176.35 176.12 1bld s PHE 148 N 1.84 3.00 -0.42 0.29 0.40 -0.97 -2.57 117.98 119.55 1bld s PHE 148 Ca 0.27 -0.29 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 1bld s PHE 148 Cb -0.08 -2.13 0.24 0.00 0.51 0.00 0.00 43.02 41.56 1bld s PHE 148 CO -0.08 -0.16 0.62 -0.11 0.70 0.00 0.00 175.22 176.19 1bld n LEU 149 N -1.71 -0.85 -4.62 -0.37 7.94 -0.73 -0.86 117.00 115.80 1bld n LEU 149 Ca 0.03 -4.23 -0.43 0.00 -1.11 0.00 0.00 56.01 50.27 1bld n LEU 149 Cb 0.58 0.69 -0.03 0.00 0.53 0.00 0.00 43.42 45.20 1bld n LEU 149 CO 0.41 2.03 1.74 -2.84 -1.11 0.00 0.00 177.39 177.62 1bld s PRO 150 N -0.50 3.44 -0.05 1.96 0.02 -1.26 -3.92 135.00 134.68 1bld s PRO 150 Ca 0.34 2.11 -0.02 0.00 0.02 0.00 0.00 61.00 63.45 1bld s PRO 150 Cb 0.17 -4.29 -0.04 0.00 0.02 0.00 0.00 34.50 30.37 1bld s PRO 150 CO -0.15 -1.75 0.08 -1.64 -0.33 0.00 0.00 177.00 173.20 1bld s MET 151 N 5.72 3.15 0.54 5.54 -1.94 -0.98 -4.91 119.30 126.42 1bld s MET 151 Ca 0.94 -0.37 -0.20 0.00 -1.71 0.00 0.00 55.69 54.35 1bld s MET 151 Cb -0.34 -2.93 -0.06 0.00 2.01 0.00 0.00 34.83 33.51 1bld s MET 151 CO 0.36 0.70 1.13 0.45 -0.01 0.00 0.00 175.02 177.65 1bld s SER 152 N -1.34 5.76 -1.20 3.03 0.15 -1.26 -2.09 113.70 116.75 1bld s SER 152 Ca 0.19 2.17 -0.05 0.00 0.70 0.00 0.00 55.95 58.96 1bld s SER 152 Cb -0.12 -2.58 0.15 0.00 -1.71 0.00 0.00 66.02 61.76 1bld s SER 152 CO 0.09 -1.19 2.32 0.00 1.20 0.00 0.00 173.24 175.66 1bld n ALA 153 N -1.25 6.66 0.01 5.45 0.00 -1.22 -4.72 120.51 125.45 1bld n ALA 153 Ca 0.11 -4.09 -0.00 0.00 0.00 0.00 0.00 53.44 49.46 1bld n ALA 153 Cb 0.51 -2.62 -0.00 0.00 0.00 0.00 0.00 19.45 17.34 1bld n ALA 153 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bld h LYS 154 N 4.38 -0.02 0.00 0.00 1.57 -1.91 -3.50 116.57 117.09 1bld h LYS 154 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 1bld h LYS 154 Cb 0.33 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1bld h LYS 154 CO 1.38 -0.02 0.00 -1.13 -0.57 0.00 0.00 179.45 179.11