#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0t s THR 7 N 0.00 4.83 -0.17 5.09 -4.23 -1.26 -4.80 115.64 115.10 1t0t s THR 7 Ca 0.00 0.63 -0.06 0.00 -1.18 0.00 0.00 61.69 61.08 1t0t s THR 7 Cb 0.00 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 1t0t s THR 7 CO 0.00 -0.18 0.03 -0.76 -0.54 0.00 0.00 174.62 173.18 1t0t s LEU 8 N -3.04 3.68 -0.15 4.79 1.43 0.33 -4.92 118.68 120.80 1t0t s LEU 8 Ca 0.50 0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.57 1t0t s LEU 8 Cb -0.11 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1t0t s LEU 8 CO 0.21 0.20 0.12 -1.81 0.23 0.00 0.00 176.35 175.30 1t0t s ASP 9 N 0.21 6.19 0.00 2.29 1.01 -1.26 -0.76 116.67 124.36 1t0t s ASP 9 Ca 0.02 0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.63 1t0t s ASP 9 Cb -0.13 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.78 1t0t s ASP 9 CO 0.01 0.32 0.00 0.61 0.21 0.00 0.00 175.17 176.32 1t0t n GLY 10 N 2.60 3.63 3.77 0.21 0.00 0.11 -5.00 105.19 110.50 1t0t n GLY 10 Ca -0.18 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1t0t n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t0t s TRP 11 N 4.43 2.94 0.60 1.61 0.51 -0.78 -4.50 118.94 123.76 1t0t s TRP 11 Ca 0.00 1.32 -0.19 0.00 -2.12 0.00 0.00 56.10 55.11 1t0t s TRP 11 Cb 0.00 -3.77 -0.03 0.00 -0.81 0.00 0.00 33.47 28.86 1t0t s TRP 11 CO 0.00 -2.20 1.23 0.71 -0.51 0.00 0.00 176.95 176.18 1t0t s TYR 12 N -1.00 2.32 -0.04 -1.98 2.02 -0.27 -0.08 117.35 118.31 1t0t s TYR 12 Ca 0.51 1.50 0.01 0.00 -0.37 0.00 0.00 57.07 58.73 1t0t s TYR 12 Cb -0.41 -3.54 0.02 0.00 -0.40 0.00 0.00 41.96 37.62 1t0t s TYR 12 CO 0.54 -2.39 -0.05 0.00 -1.57 0.00 0.00 175.55 172.08 1t0t s LEU 14 N 0.68 2.60 -0.32 0.00 2.96 -0.28 -1.23 118.68 123.10 1t0t s LEU 14 Ca -0.09 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.34 1t0t s LEU 14 Cb -0.12 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1t0t s LEU 14 CO 0.00 0.13 0.14 -1.00 -1.32 0.00 0.00 176.35 174.31 1t0t s HIS 15 N 0.53 3.18 -0.36 5.38 3.76 -0.12 -0.49 115.29 127.17 1t0t s HIS 15 Ca -0.09 -0.78 -0.01 0.00 -0.15 0.00 0.00 55.06 54.03 1t0t s HIS 15 Cb -0.16 -2.34 0.09 0.00 1.11 0.00 0.00 32.58 31.28 1t0t s HIS 15 CO 0.04 -0.53 0.11 0.34 -0.85 0.00 0.00 174.74 173.85 1t0t s ASP 16 N 1.56 5.05 -0.04 1.40 -1.08 0.01 -1.03 116.67 122.54 1t0t s ASP 16 Ca 0.03 -1.79 -0.08 0.00 -0.52 0.00 0.00 52.55 50.19 1t0t s ASP 16 Cb -0.17 -1.75 -0.05 0.00 -1.46 0.00 0.00 42.92 39.48 1t0t s ASP 16 CO 0.05 -0.42 0.24 -0.36 0.52 0.00 0.00 175.17 175.20 1t0t s PHE 17 N 1.14 3.61 0.02 -5.34 0.08 -0.23 -0.55 117.98 116.71 1t0t s PHE 17 Ca 0.04 0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.70 1t0t s PHE 17 Cb -0.21 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 1t0t s PHE 17 CO -0.04 0.66 -0.03 1.03 -0.10 0.00 0.00 175.22 176.74 1t0t s ARG 18 N -1.43 0.34 -0.11 0.44 1.81 0.10 -2.54 118.95 117.56 1t0t s ARG 18 Ca 0.23 -0.63 -0.04 0.00 -1.72 0.00 0.00 55.73 53.57 1t0t s ARG 18 Cb -0.13 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 1t0t s ARG 18 CO 0.12 -0.04 0.04 0.99 -0.68 0.00 0.00 175.30 175.72 1t0t s THR 19 N -1.47 4.60 -0.14 0.02 2.01 -0.04 -0.04 115.64 120.57 1t0t s THR 19 Ca -0.15 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 1t0t s THR 19 Cb -0.10 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 1t0t s THR 19 CO -0.01 0.59 0.58 -0.63 -0.69 0.00 0.00 174.62 174.46 1t0t s ILE 20 N -0.71 5.10 -1.26 1.82 1.01 -1.26 -0.24 121.20 125.66 1t0t s ILE 20 Ca 0.12 1.15 -0.14 0.00 0.00 0.00 0.00 60.65 61.77 1t0t s ILE 20 Cb -0.12 -3.91 0.14 0.00 0.01 0.00 0.00 42.46 38.58 1t0t s ILE 20 CO 0.02 0.23 1.64 -0.67 0.00 0.00 0.00 174.94 176.16 1t0t n ASP 21 N 4.20 5.05 -0.30 3.58 -0.08 0.29 -4.82 116.55 124.45 1t0t n ASP 21 Ca -0.04 -2.98 -0.02 0.00 -1.51 0.00 0.00 54.79 50.24 1t0t n ASP 21 Cb 0.51 -1.60 0.14 0.00 2.34 0.00 0.00 41.12 42.51 1t0t n ASP 21 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1t0t h TRP 22 N 6.90 1.15 -0.34 -0.67 4.06 -1.93 -1.38 115.95 123.74 1t0t h TRP 22 Ca 0.38 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.33 1t0t h TRP 22 Cb 0.81 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 1t0t h TRP 22 CO 1.23 0.77 0.20 1.03 -3.56 0.00 0.00 178.44 178.11 1t0t h SER 23 N 1.19 0.33 -0.23 -3.49 0.87 -2.00 -0.26 113.55 109.97 1t0t h SER 23 Ca 0.31 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1t0t h SER 23 Cb -0.03 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1t0t h SER 23 CO -0.06 0.24 -0.04 0.00 -0.53 0.00 0.00 176.83 176.45 1t0t h ALA 24 N 1.15 0.32 -0.80 6.23 0.00 -1.94 -3.00 119.26 121.21 1t0t h ALA 24 Ca 0.13 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1t0t h ALA 24 Cb -0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1t0t h ALA 24 CO -0.06 0.08 0.43 2.35 0.00 0.00 0.00 179.25 182.06 1t0t h TRP 25 N 0.18 0.78 0.00 0.00 -0.00 -1.01 -1.83 115.95 114.07 1t0t h TRP 25 Ca 0.06 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.97 1t0t h TRP 25 Cb 0.48 -0.23 -0.00 0.00 -0.00 0.00 0.00 29.16 29.41 1t0t h TRP 25 CO 0.05 0.29 -0.04 0.87 -0.00 0.00 0.00 178.44 179.60 1t0t h LYS 26 N 0.71 0.00 0.00 2.65 1.57 -0.91 -2.24 116.57 118.36 1t0t h LYS 26 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1t0t h LYS 26 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1t0t h LYS 26 CO -0.27 0.04 -0.47 1.79 -0.57 0.00 0.00 179.45 179.97 1t0t h THR 27 N 0.00 0.00 -3.14 -0.16 1.35 -1.29 -3.45 112.91 106.22 1t0t h THR 27 Ca -0.00 -0.63 -0.53 0.00 -0.55 0.00 0.00 66.41 64.70 1t0t h THR 27 Cb 0.27 1.34 0.04 0.00 -1.73 0.00 0.00 68.15 68.08 1t0t h THR 27 CO 0.01 0.00 0.76 -0.22 -0.25 0.00 0.00 175.52 175.82 1t0t s LEU 28 N -4.72 4.38 0.49 3.87 2.96 -0.84 -4.98 118.68 119.83 1t0t s LEU 28 Ca 0.06 2.52 -0.23 0.00 -0.22 0.00 0.00 54.13 56.26 1t0t s LEU 28 Cb 0.11 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 43.12 1t0t s LEU 28 CO 0.70 -0.69 1.14 -2.65 -1.32 0.00 0.00 176.35 173.53 1t0t n PRO 29 N 3.24 1.49 -0.34 0.98 -0.02 -1.26 -4.67 135.00 134.42 1t0t n PRO 29 Ca 0.10 0.54 0.22 0.00 -2.02 0.00 0.00 63.50 62.34 1t0t n PRO 29 Cb 0.41 -2.28 0.48 0.00 -0.02 0.00 0.00 33.50 32.09 1t0t n PRO 29 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1t0t h ASN 30 N 1.44 0.51 0.39 2.55 -1.24 -1.94 0.16 115.58 117.45 1t0t h ASN 30 Ca -0.48 0.11 -0.15 0.00 0.71 0.00 0.00 56.30 56.50 1t0t h ASN 30 Cb 1.32 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.40 1t0t h ASN 30 CO 0.56 0.05 -0.62 1.05 -1.29 0.00 0.00 177.43 177.19 1t0t h GLU 31 N 0.42 0.22 0.08 6.67 4.11 -2.00 -1.81 114.58 122.27 1t0t h GLU 31 Ca 0.64 -0.15 -0.25 0.00 0.07 0.00 0.00 59.36 59.67 1t0t h GLU 31 Cb 1.53 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 1t0t h GLU 31 CO -0.39 0.77 -1.14 0.93 0.07 0.00 0.00 179.01 179.24 1t0t h GLU 32 N 0.16 0.21 -0.09 1.06 5.08 -1.35 -2.10 114.58 117.55 1t0t h GLU 32 Ca -0.01 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1t0t h GLU 32 Cb 1.12 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1t0t h GLU 32 CO 0.09 1.14 0.05 0.00 -1.00 0.00 0.00 179.01 179.30 1t0t h ARG 33 N 0.07 0.12 -0.86 2.33 3.08 -1.11 -0.45 114.38 117.56 1t0t h ARG 33 Ca -0.10 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1t0t h ARG 33 Cb 1.87 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.85 1t0t h ARG 33 CO 0.18 0.14 0.46 0.93 -1.07 0.00 0.00 179.97 180.62 1t0t h GLU 34 N 0.07 1.21 -0.72 0.04 4.39 -1.26 -1.07 114.58 117.23 1t0t h GLU 34 Ca 0.03 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 1t0t h GLU 34 Cb 0.06 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 1t0t h GLU 34 CO -0.01 0.89 0.34 0.00 -1.16 0.00 0.00 179.01 179.08 1t0t h ALA 35 N 1.29 0.93 -0.59 3.43 0.00 -1.25 -0.83 119.26 122.25 1t0t h ALA 35 Ca 0.30 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1t0t h ALA 35 Cb 0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1t0t h ALA 35 CO -0.05 0.51 0.19 0.00 0.00 0.00 0.00 179.25 179.90 1t0t h ALA 36 N 1.17 0.78 -0.32 0.00 0.00 -0.71 -0.89 119.26 119.29 1t0t h ALA 36 Ca 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1t0t h ALA 36 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1t0t h ALA 36 CO -0.03 0.44 0.13 0.82 0.00 0.00 0.00 179.25 180.61 1t0t h ILE 37 N 0.84 1.18 -0.98 0.00 1.08 -0.84 -1.18 117.51 117.61 1t0t h ILE 37 Ca 0.19 -0.56 0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1t0t h ILE 37 Cb 0.28 0.96 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 1t0t h ILE 37 CO -0.01 0.19 0.65 0.28 -0.69 0.00 0.00 178.15 178.57 1t0t h SER 38 N 0.36 1.10 -0.09 1.72 0.02 -1.06 0.43 113.55 116.03 1t0t h SER 38 Ca 0.11 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1t0t h SER 38 Cb 0.18 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1t0t h SER 38 CO -0.01 0.78 0.06 -0.08 -1.14 0.00 0.00 176.83 176.43 1t0t h GLU 39 N 1.29 0.11 -0.70 3.45 4.81 -1.03 -0.18 114.58 122.34 1t0t h GLU 39 Ca 0.37 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.53 1t0t h GLU 39 Cb -0.08 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1t0t h GLU 39 CO -0.10 0.08 0.19 0.35 -0.73 0.00 0.00 179.01 178.79 1t0t h PHE 40 N 0.12 1.16 -0.33 0.92 3.57 -0.98 -2.17 116.94 119.23 1t0t h PHE 40 Ca 0.03 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 1t0t h PHE 40 Cb -0.01 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 1t0t h PHE 40 CO -0.08 0.93 0.05 -0.07 -2.23 0.00 0.00 178.31 176.92 1t0t h LEU 41 N 1.04 0.45 -0.96 0.59 3.38 -0.68 -1.42 115.31 117.71 1t0t h LEU 41 Ca 0.22 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1t0t h LEU 41 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1t0t h LEU 41 CO -0.00 0.47 0.10 0.00 0.09 0.00 0.00 178.44 179.10 1t0t h ALA 42 N 1.59 1.15 0.09 1.53 0.00 -0.75 -0.80 119.26 122.07 1t0t h ALA 42 Ca 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1t0t h ALA 42 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1t0t h ALA 42 CO 0.00 0.57 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 1t0t h LEU 43 N 0.82 -0.10 -1.59 0.00 5.85 -0.82 -2.94 115.31 116.52 1t0t h LEU 43 Ca 0.17 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1t0t h LEU 43 Cb 0.35 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1t0t h LEU 43 CO 0.00 0.06 0.32 0.58 -0.34 0.00 0.00 178.44 179.06 1t0t h VAL 44 N -0.26 1.05 -0.76 1.05 2.07 -1.12 -1.01 116.25 117.26 1t0t h VAL 44 Ca -0.01 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.39 1t0t h VAL 44 Cb 0.22 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1t0t h VAL 44 CO 0.02 0.10 0.50 -0.78 0.02 0.00 0.00 177.57 177.43 1t0t h ASP 45 N 0.53 0.72 -0.56 0.57 3.58 -1.04 0.11 116.42 120.33 1t0t h ASP 45 Ca 0.19 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1t0t h ASP 45 Cb 0.11 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1t0t h ASP 45 CO -0.05 0.46 0.34 1.56 -2.88 0.00 0.00 179.24 178.67 1t0t h GLN 46 N 0.82 0.75 -0.64 0.28 4.20 -1.03 -1.78 115.11 117.71 1t0t h GLN 46 Ca 0.33 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1t0t h GLN 46 Cb 0.24 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1t0t h GLN 46 CO -0.11 0.54 0.34 -1.49 -0.67 0.00 0.00 178.83 177.44 1t0t h TRP 47 N 0.75 0.88 -0.14 2.96 4.06 -0.70 -1.48 115.95 122.28 1t0t h TRP 47 Ca 0.20 -0.02 -0.14 0.00 2.06 0.00 0.00 58.89 60.99 1t0t h TRP 47 Cb -0.02 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 27.85 1t0t h TRP 47 CO -0.02 0.62 -0.52 0.93 -3.56 0.00 0.00 178.44 175.88 1t0t h GLU 48 N 0.90 0.39 -0.21 0.49 5.08 -0.57 -0.57 114.58 120.08 1t0t h GLU 48 Ca 0.23 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1t0t h GLU 48 Cb 0.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1t0t h GLU 48 CO -0.04 0.82 0.04 1.15 -1.00 0.00 0.00 179.01 179.98 1t0t h THR 49 N 0.31 1.22 -0.53 1.13 2.02 -1.02 0.16 112.91 116.20 1t0t h THR 49 Ca 0.01 -0.74 0.07 0.00 0.77 0.00 0.00 66.41 66.53 1t0t h THR 49 Cb 1.02 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 68.67 1t0t h THR 49 CO 0.09 0.23 0.20 0.74 0.37 0.00 0.00 175.52 177.14 1t0t h THR 50 N 0.15 0.82 -0.55 3.16 2.02 -1.04 -1.23 112.91 116.25 1t0t h THR 50 Ca 0.06 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 1t0t h THR 50 Cb 0.31 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1t0t h THR 50 CO 0.00 0.07 -0.06 -0.08 0.37 0.00 0.00 175.52 175.82 1t0t h GLU 51 N 0.38 0.99 -0.40 6.66 4.81 -0.86 -1.40 114.58 124.76 1t0t h GLU 51 Ca 0.26 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1t0t h GLU 51 Cb 0.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1t0t h GLU 51 CO -0.26 1.01 0.21 0.66 -0.73 0.00 0.00 179.01 179.91 1t0t h SER 52 N 0.90 0.49 -0.02 1.04 4.64 -0.30 -1.40 113.55 118.89 1t0t h SER 52 Ca 0.15 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1t0t h SER 52 Cb 0.61 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1t0t h SER 52 CO 0.04 0.41 0.00 -0.62 -0.87 0.00 0.00 176.83 175.78 1t0t n GLU 53 N -4.42 1.28 -2.99 4.77 -0.58 -0.50 -4.91 120.64 113.29 1t0t n GLU 53 Ca 0.03 -0.41 -0.17 0.00 -0.42 0.00 0.00 57.16 56.19 1t0t n GLU 53 Cb 0.10 -1.45 0.04 0.00 -0.57 0.00 0.00 31.44 29.56 1t0t n GLU 53 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1t0t n LYS 54 N -0.47 -4.42 -0.14 3.49 4.76 -0.53 -4.88 118.16 115.97 1t0t n LYS 54 Ca 0.20 0.66 0.06 0.00 -2.87 0.00 0.00 58.31 56.35 1t0t n LYS 54 Cb 0.20 -5.04 0.13 0.00 -1.84 0.00 0.00 35.03 28.49 1t0t n LYS 54 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1t0t n GLN 55 N -3.41 2.37 -3.57 1.97 1.13 -0.57 -5.03 117.38 110.28 1t0t n GLN 55 Ca -0.05 -1.87 0.00 0.00 -1.94 0.00 0.00 57.00 53.14 1t0t n GLN 55 Cb 0.57 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.67 1t0t n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1t0t n GLY 56 N 0.55 -1.93 3.44 1.08 0.00 -1.24 -4.34 105.19 102.75 1t0t n GLY 56 Ca 0.11 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1t0t n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t0t s SER 57 N -1.08 -0.07 0.04 1.61 0.15 -0.70 -3.95 113.70 109.70 1t0t s SER 57 Ca 0.00 -0.79 -0.24 0.00 0.70 0.00 0.00 55.95 55.62 1t0t s SER 57 Cb 0.00 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 64.87 1t0t s SER 57 CO 0.00 -0.99 0.55 -1.38 1.20 0.00 0.00 173.24 172.62 1t0t s HIS 58 N -3.96 -0.47 0.00 3.44 -3.43 -1.26 -0.66 115.29 108.96 1t0t s HIS 58 Ca 0.17 0.57 0.01 0.00 -0.80 0.00 0.00 55.06 55.01 1t0t s HIS 58 Cb 0.01 0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 31.53 1t0t s HIS 58 CO 0.01 -0.65 -0.03 0.00 -2.00 0.00 0.00 174.74 172.07 1t0t s ALA 59 N -2.32 0.24 -0.16 -1.38 0.00 0.17 -4.78 121.76 113.53 1t0t s ALA 59 Ca -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 1t0t s ALA 59 Cb -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.13 1t0t s ALA 59 CO -0.01 0.03 -0.02 0.08 0.00 0.00 0.00 175.76 175.85 1t0t s VAL 60 N -0.28 0.82 0.04 0.00 1.01 -1.26 -0.99 120.40 119.74 1t0t s VAL 60 Ca -0.01 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.55 1t0t s VAL 60 Cb -0.02 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1t0t s VAL 60 CO -0.00 0.06 -0.19 -0.31 0.00 0.00 0.00 175.10 174.67 1t0t s TYR 61 N 1.75 1.62 0.06 5.22 2.02 -0.83 -1.75 117.35 125.44 1t0t s TYR 61 Ca 0.01 -0.36 -0.24 0.00 -0.37 0.00 0.00 57.07 56.10 1t0t s TYR 61 Cb -0.15 -0.97 -0.06 0.00 -0.40 0.00 0.00 41.96 40.38 1t0t s TYR 61 CO -0.07 0.07 0.74 0.95 -1.57 0.00 0.00 175.55 175.67 1t0t s THR 62 N -0.80 4.69 -0.15 -0.71 -4.23 0.47 -0.52 115.64 114.38 1t0t s THR 62 Ca 0.06 1.59 -0.06 0.00 -1.18 0.00 0.00 61.69 62.09 1t0t s THR 62 Cb -0.08 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 1t0t s THR 62 CO 0.02 0.40 0.05 -0.63 -0.54 0.00 0.00 174.62 173.91 1t0t s ILE 63 N -0.29 4.66 0.11 2.99 -1.09 -0.15 -0.42 121.20 127.01 1t0t s ILE 63 Ca 0.37 -0.09 -0.22 0.00 -2.23 0.00 0.00 60.65 58.48 1t0t s ILE 63 Cb -0.21 -3.06 -0.07 0.00 -1.58 0.00 0.00 42.46 37.54 1t0t s ILE 63 CO 0.23 0.51 0.66 -0.69 -1.23 0.00 0.00 174.94 174.41 1t0t s VAL 64 N -0.01 4.59 0.00 2.92 1.01 -0.62 -4.34 120.40 123.96 1t0t s VAL 64 Ca 0.05 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.45 1t0t s VAL 64 Cb -0.12 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1t0t s VAL 64 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1t0t n GLY 65 N 1.69 -2.06 0.00 4.51 0.00 -1.26 -4.69 105.19 103.38 1t0t n GLY 65 Ca -0.08 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.27 1t0t n GLY 65 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1t0t n GLN 66 N -0.05 0.02 0.27 1.61 6.02 -1.26 -4.02 117.38 119.96 1t0t n GLN 66 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 1t0t n GLN 66 Cb 0.00 -1.51 0.74 0.00 1.02 0.00 0.00 30.24 30.49 1t0t n GLN 66 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1t0t h LYS 67 N 0.00 0.00 -2.16 -1.09 1.57 -1.96 -3.46 116.57 109.47 1t0t h LYS 67 Ca 0.00 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.97 1t0t h LYS 67 Cb 0.51 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.72 1t0t h LYS 67 CO 0.00 0.04 0.55 0.00 -0.57 0.00 0.00 179.45 179.47 1t0t s ALA 68 N -4.73 -1.79 -0.05 3.86 0.00 -1.26 -4.66 121.76 113.13 1t0t s ALA 68 Ca -0.05 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.38 1t0t s ALA 68 Cb 0.16 0.54 -0.10 0.00 0.00 0.00 0.00 23.12 23.72 1t0t s ALA 68 CO 0.62 -0.98 0.07 -0.25 0.00 0.00 0.00 175.76 175.22 1t0t n ASP 69 N -0.43 3.25 -3.76 0.00 8.00 0.94 -4.44 116.55 120.11 1t0t n ASP 69 Ca -0.07 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.31 1t0t n ASP 69 Cb 0.61 0.88 -0.11 0.00 -0.02 0.00 0.00 41.12 42.48 1t0t n ASP 69 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1t0t s ILE 70 N -2.28 -0.01 -0.13 0.53 2.07 -0.67 -0.98 121.20 119.73 1t0t s ILE 70 Ca -0.03 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 1t0t s ILE 70 Cb 0.03 -0.43 -0.01 0.00 0.13 0.00 0.00 42.46 42.19 1t0t s ILE 70 CO 0.30 0.01 -0.17 -0.22 -1.91 0.00 0.00 174.94 172.96 1t0t s LEU 71 N 0.44 2.49 -0.31 8.50 2.96 0.33 -0.72 118.68 132.37 1t0t s LEU 71 Ca -0.02 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1t0t s LEU 71 Cb -0.04 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.14 1t0t s LEU 71 CO -0.02 0.15 0.06 -0.36 -1.32 0.00 0.00 176.35 174.86 1t0t s PHE 72 N 0.44 3.20 -0.23 5.38 0.08 0.29 -1.97 117.98 125.17 1t0t s PHE 72 Ca -0.12 -1.37 -0.08 0.00 0.12 0.00 0.00 56.93 55.48 1t0t s PHE 72 Cb -0.16 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 1t0t s PHE 72 CO 0.05 -0.69 0.10 1.41 -0.10 0.00 0.00 175.22 175.99 1t0t s MET 73 N 1.40 3.87 -0.09 0.44 -2.45 -0.16 -0.81 119.30 121.50 1t0t s MET 73 Ca -0.01 -0.38 0.01 0.00 -1.25 0.00 0.00 55.69 54.07 1t0t s MET 73 Cb -0.18 -3.37 0.02 0.00 1.25 0.00 0.00 34.83 32.54 1t0t s MET 73 CO 0.01 0.01 -0.11 0.42 1.05 0.00 0.00 175.02 176.40 1t0t s ILE 74 N 1.13 1.15 -0.15 10.11 -1.09 0.35 -0.66 121.20 132.05 1t0t s ILE 74 Ca 0.05 -0.43 -0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1t0t s ILE 74 Cb -0.14 -1.09 -0.02 0.00 -1.58 0.00 0.00 42.46 39.62 1t0t s ILE 74 CO 0.04 0.37 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.30 1t0t s LEU 75 N 1.14 3.12 0.11 2.97 1.43 0.17 -1.13 118.68 126.49 1t0t s LEU 75 Ca -0.05 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1t0t s LEU 75 Cb -0.14 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1t0t s LEU 75 CO -0.02 0.18 0.10 -0.13 0.23 0.00 0.00 176.35 176.70 1t0t s ARG 76 N 0.32 0.88 0.43 1.70 1.81 -0.32 -1.73 118.95 122.04 1t0t s ARG 76 Ca -0.05 -1.26 0.29 0.00 -1.72 0.00 0.00 55.73 52.99 1t0t s ARG 76 Cb -0.15 0.28 1.05 0.00 -0.45 0.00 0.00 34.95 35.68 1t0t s ARG 76 CO 0.04 -0.26 1.84 -1.35 -0.68 0.00 0.00 175.30 174.89 1t0t h PRO 77 N 2.86 0.00 -4.84 3.54 0.11 -1.86 -0.70 132.00 131.10 1t0t h PRO 77 Ca -0.34 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.50 1t0t h PRO 77 Cb 1.19 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 1t0t h PRO 77 CO 0.58 0.00 -0.71 0.95 -0.21 0.00 0.00 178.00 178.62 1t0t s THR 78 N -3.46 0.91 0.28 -1.15 -4.23 -1.26 -4.66 115.64 102.08 1t0t s THR 78 Ca 0.04 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1t0t s THR 78 Cb 0.09 -1.74 0.08 0.00 1.34 0.00 0.00 72.50 72.26 1t0t s THR 78 CO 0.53 -0.81 1.73 0.25 -0.54 0.00 0.00 174.62 175.79 1t0t h LEU 79 N 2.91 0.52 -0.94 4.79 5.85 -1.97 -2.59 115.31 123.88 1t0t h LEU 79 Ca -0.36 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.20 1t0t h LEU 79 Cb 1.18 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1t0t h LEU 79 CO 0.64 0.74 0.61 0.44 -0.34 0.00 0.00 178.44 180.53 1t0t h ASP 80 N 0.47 1.09 -0.11 1.25 3.32 -1.99 -1.51 116.42 118.93 1t0t h ASP 80 Ca 0.07 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1t0t h ASP 80 Cb 0.63 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1t0t h ASP 80 CO 0.04 0.80 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.85 1t0t h GLU 81 N 1.28 0.51 -0.64 3.56 5.08 -1.88 0.75 114.58 123.24 1t0t h GLU 81 Ca 0.34 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1t0t h GLU 81 Cb -0.13 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1t0t h GLU 81 CO -0.07 0.68 0.25 -0.07 -1.00 0.00 0.00 179.01 178.79 1t0t h LEU 82 N 0.46 0.89 -0.53 1.33 3.38 -1.12 -0.69 115.31 119.04 1t0t h LEU 82 Ca 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1t0t h LEU 82 Cb 0.59 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1t0t h LEU 82 CO 0.04 0.83 0.22 -0.74 0.09 0.00 0.00 178.44 178.88 1t0t h HIS 83 N 0.91 0.80 -0.68 1.13 2.76 -0.88 -1.51 115.15 117.67 1t0t h HIS 83 Ca 0.21 -0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1t0t h HIS 83 Cb 0.22 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.90 1t0t h HIS 83 CO 0.01 0.64 0.43 0.93 -1.30 0.00 0.00 177.93 178.65 1t0t h GLU 84 N 0.72 0.82 -0.29 5.26 5.08 -0.41 -1.60 114.58 124.15 1t0t h GLU 84 Ca 0.18 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1t0t h GLU 84 Cb 0.18 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1t0t h GLU 84 CO -0.02 0.54 0.14 0.82 -1.00 0.00 0.00 179.01 179.49 1t0t h ILE 85 N 0.85 1.16 -0.53 3.13 1.08 -0.91 -1.34 117.51 120.94 1t0t h ILE 85 Ca 0.27 -0.45 0.02 0.00 -0.39 0.00 0.00 64.86 64.31 1t0t h ILE 85 Cb -0.00 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1t0t h ILE 85 CO -0.10 0.16 0.32 -0.08 -0.69 0.00 0.00 178.15 177.76 1t0t h GLU 86 N 0.34 0.62 -0.11 2.37 4.81 -1.16 -0.42 114.58 121.03 1t0t h GLU 86 Ca 0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1t0t h GLU 86 Cb 0.13 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1t0t h GLU 86 CO -0.01 0.41 0.01 1.15 -0.73 0.00 0.00 179.01 179.84 1t0t h THR 87 N 0.64 1.23 -0.60 0.32 2.02 -1.19 -1.00 112.91 114.32 1t0t h THR 87 Ca 0.21 -0.71 0.09 0.00 0.77 0.00 0.00 66.41 66.77 1t0t h THR 87 Cb 0.01 1.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.84 1t0t h THR 87 CO -0.09 0.21 0.24 0.00 0.37 0.00 0.00 175.52 176.25 1t0t h ALA 88 N 0.78 0.78 -0.33 6.16 0.00 -1.11 -0.59 119.26 124.95 1t0t h ALA 88 Ca 0.03 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1t0t h ALA 88 Cb 0.31 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1t0t h ALA 88 CO 0.00 -0.17 0.21 1.25 0.00 0.00 0.00 179.25 180.55 1t0t h LEU 89 N 0.43 0.37 -1.48 0.00 5.85 -0.93 -2.67 115.31 116.87 1t0t h LEU 89 Ca 0.30 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1t0t h LEU 89 Cb 0.35 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1t0t h LEU 89 CO -0.29 0.27 -0.14 0.78 -0.34 0.00 0.00 178.44 178.71 1t0t h ASN 90 N 0.44 0.00 0.37 1.25 2.35 -0.38 -0.79 115.58 118.82 1t0t h ASN 90 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1t0t h ASN 90 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1t0t h ASN 90 CO -0.03 0.14 -0.08 0.29 -1.65 0.00 0.00 177.43 176.10 1t0t n LYS 91 N -3.38 0.68 -1.98 0.81 5.02 -0.30 -4.66 118.16 114.34 1t0t n LYS 91 Ca -0.00 -0.19 -0.32 0.00 -2.02 0.00 0.00 58.31 55.78 1t0t n LYS 91 Cb 0.34 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1t0t n LYS 91 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1t0t s THR 92 N -2.45 4.04 0.22 -0.18 -4.23 -0.30 -4.97 115.64 107.77 1t0t s THR 92 Ca 0.30 0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 61.67 1t0t s THR 92 Cb 0.20 -3.47 -0.00 0.00 1.34 0.00 0.00 72.50 70.56 1t0t s THR 92 CO 0.46 -0.66 1.59 0.50 -0.54 0.00 0.00 174.62 175.97 1t0t h LYS 93 N 0.19 0.58 -0.79 3.99 1.63 -1.88 -2.87 116.57 117.42 1t0t h LYS 93 Ca -0.46 -0.30 0.02 0.00 -0.85 0.00 0.00 60.65 59.07 1t0t h LYS 93 Cb 1.21 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.80 1t0t h LYS 93 CO 0.58 0.88 0.52 1.25 -3.45 0.00 0.00 179.45 179.24 1t0t h LEU 94 N 0.48 0.87 -2.40 5.20 5.85 -1.91 -1.73 115.31 121.66 1t0t h LEU 94 Ca 0.04 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1t0t h LEU 94 Cb 0.91 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1t0t h LEU 94 CO 0.08 0.61 -0.01 0.00 -0.34 0.00 0.00 178.44 178.78 1t0t h ALA 95 N 1.53 1.04 -0.03 1.25 0.00 -1.71 0.83 119.26 122.17 1t0t h ALA 95 Ca 0.31 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1t0t h ALA 95 Cb -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1t0t h ALA 95 CO -0.08 0.01 0.03 -0.44 0.00 0.00 0.00 179.25 178.78 1t0t h ASP 96 N 0.00 0.00 -0.23 0.00 3.32 -1.41 -1.02 116.42 117.09 1t0t h ASP 96 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1t0t h ASP 96 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1t0t h ASP 96 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1t0t n TYR 97 N -3.79 0.28 -3.69 4.55 4.01 0.28 -4.74 117.16 114.06 1t0t n TYR 97 Ca -0.02 -0.15 -0.36 0.00 -0.16 0.00 0.00 57.90 57.21 1t0t n TYR 97 Cb 0.12 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.07 1t0t n TYR 97 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1t0t s LEU 98 N -1.55 5.37 0.67 7.72 1.43 -0.39 -0.55 118.68 131.38 1t0t s LEU 98 Ca 0.31 -3.36 -0.13 0.00 -1.03 0.00 0.00 54.13 49.92 1t0t s LEU 98 Cb 0.20 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 1t0t s LEU 98 CO 0.28 -0.26 1.06 -0.76 0.23 0.00 0.00 176.35 176.91 1t0t s LEU 99 N -0.81 3.26 0.35 1.79 1.43 0.67 -4.77 118.68 120.60 1t0t s LEU 99 Ca 0.23 1.73 -0.28 0.00 -1.03 0.00 0.00 54.13 54.78 1t0t s LEU 99 Cb -0.13 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.49 1t0t s LEU 99 CO -0.09 -1.42 1.23 -2.16 0.23 0.00 0.00 176.35 174.14 1t0t s PRO 100 N -4.64 4.28 0.01 1.29 0.04 -1.26 -0.86 135.00 133.85 1t0t s PRO 100 Ca 0.61 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1t0t s PRO 100 Cb -0.15 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1t0t s PRO 100 CO 0.48 -0.19 0.00 0.00 0.04 0.00 0.00 177.00 177.34 1t0t n ALA 101 N 0.59 3.00 -3.57 8.56 0.00 -1.05 -4.53 120.51 123.50 1t0t n ALA 101 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 1t0t n ALA 101 Cb 0.44 0.23 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 1t0t n ALA 101 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1t0t s TYR 102 N -2.00 -0.25 0.08 0.00 5.04 -1.20 -5.00 117.35 114.02 1t0t s TYR 102 Ca 0.00 0.27 -0.10 0.00 -2.44 0.00 0.00 57.07 54.80 1t0t s TYR 102 Cb 0.00 0.50 0.01 0.00 0.35 0.00 0.00 41.96 42.82 1t0t s TYR 102 CO 0.00 -0.32 0.24 -1.54 -1.34 0.00 0.00 175.55 172.58 1t0t s SER 103 N -1.83 0.02 -0.14 4.32 1.04 -1.26 -1.06 113.70 114.79 1t0t s SER 103 Ca 0.05 -0.50 -0.08 0.00 0.48 0.00 0.00 55.95 55.90 1t0t s SER 103 Cb -0.01 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.51 1t0t s SER 103 CO -0.04 -0.70 0.34 -0.47 0.98 0.00 0.00 173.24 173.34 1t0t s TYR 104 N -3.48 -0.47 -0.15 5.02 5.04 -0.20 -4.97 117.35 118.15 1t0t s TYR 104 Ca 0.02 1.05 0.01 0.00 -2.44 0.00 0.00 57.07 55.71 1t0t s TYR 104 Cb 0.03 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.51 1t0t s TYR 104 CO -0.09 -0.28 -0.18 0.08 -1.34 0.00 0.00 175.55 173.74 1t0t s VAL 105 N 1.15 2.36 0.38 3.14 1.01 -1.26 -0.94 120.40 126.24 1t0t s VAL 105 Ca -0.08 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 1t0t s VAL 105 Cb -0.08 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.37 1t0t s VAL 105 CO -0.09 0.53 0.73 -0.94 0.00 0.00 0.00 175.10 175.33 1t0t s SER 106 N 0.85 0.17 -0.02 3.32 1.04 -0.36 -4.20 113.70 114.51 1t0t s SER 106 Ca -0.05 -1.20 0.02 0.00 0.48 0.00 0.00 55.95 55.19 1t0t s SER 106 Cb -0.15 0.82 0.01 0.00 0.10 0.00 0.00 66.02 66.79 1t0t s SER 106 CO -0.02 -1.62 -0.05 -0.69 0.98 0.00 0.00 173.24 171.84 1t0t s VAL 107 N -2.46 0.47 0.25 5.02 1.01 0.10 0.48 120.40 125.27 1t0t s VAL 107 Ca 0.18 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 1t0t s VAL 107 Cb -0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 36.38 35.78 1t0t s VAL 107 CO 0.13 0.16 1.66 -0.69 0.00 0.00 0.00 175.10 176.37 1t0t s VAL 108 N 0.29 2.04 -0.02 2.92 1.01 0.88 0.32 120.40 127.84 1t0t s VAL 108 Ca -0.03 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1t0t s VAL 108 Cb -0.07 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1t0t s VAL 108 CO -0.00 0.00 -0.09 -0.70 0.00 0.00 0.00 175.10 174.32 1t0t s GLU 109 N 0.38 0.87 -0.07 2.72 2.12 -1.02 0.04 118.70 123.75 1t0t s GLU 109 Ca 0.69 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.76 1t0t s GLU 109 Cb -0.49 -0.83 0.01 0.00 0.26 0.00 0.00 34.13 33.08 1t0t s GLU 109 CO 0.40 0.12 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.57 1t0t s LEU 110 N 0.11 1.81 -0.11 2.70 1.02 0.06 -4.79 118.68 119.49 1t0t s LEU 110 Ca -0.02 -0.38 0.06 0.00 0.02 0.00 0.00 54.13 53.81 1t0t s LEU 110 Cb -0.07 -1.01 -0.11 0.00 0.02 0.00 0.00 46.19 45.02 1t0t s LEU 110 CO 0.00 0.09 -0.02 -0.24 0.02 0.00 0.00 176.35 176.19 1t0t n SER 111 N 3.64 2.75 -4.47 2.29 2.88 -1.26 -0.52 113.62 118.93 1t0t n SER 111 Ca -0.21 -0.03 -0.43 0.00 -1.33 0.00 0.00 58.87 56.87 1t0t n SER 111 Cb 0.52 0.38 -0.04 0.00 -0.75 0.00 0.00 64.21 64.31 1t0t n SER 111 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1t0t s ASN 112 N -4.60 6.24 0.09 -3.46 2.47 -1.26 -4.91 114.94 109.50 1t0t s ASN 112 Ca -0.10 -0.77 -0.21 0.00 0.42 0.00 0.00 52.86 52.20 1t0t s ASN 112 Cb 0.03 -2.39 0.05 0.00 -1.45 0.00 0.00 41.25 37.49 1t0t s ASN 112 CO 0.36 -1.25 0.51 -0.72 -3.72 0.00 0.00 177.10 172.28 1t0t s TYR 113 N 3.68 -0.40 -0.50 0.43 -0.85 -1.26 -5.11 117.35 113.34 1t0t s TYR 113 Ca 0.23 0.32 -0.28 0.00 -0.52 0.00 0.00 57.07 56.82 1t0t s TYR 113 Cb -0.16 0.37 0.03 0.00 0.38 0.00 0.00 41.96 42.58 1t0t s TYR 113 CO 0.13 -0.70 1.13 -1.17 -1.52 0.00 0.00 175.55 173.42 1t0t s LEU 114 N -2.30 3.64 -0.37 -3.49 0.20 -1.26 -4.98 118.68 110.12 1t0t s LEU 114 Ca -0.02 0.35 -0.15 0.00 0.69 0.00 0.00 54.13 55.00 1t0t s LEU 114 Cb -0.00 -3.43 -0.00 0.00 -0.43 0.00 0.00 46.19 42.33 1t0t s LEU 114 CO -0.06 -1.28 0.31 0.00 -0.29 0.00 0.00 176.35 175.03 1t0t s ALA 115 N 4.49 3.49 -0.12 5.97 0.00 -1.26 -4.93 121.76 129.39 1t0t s ALA 115 Ca 0.46 -1.46 0.20 0.00 0.00 0.00 0.00 51.96 51.16 1t0t s ALA 115 Cb -0.07 -2.82 -0.21 0.00 0.00 0.00 0.00 23.12 20.02 1t0t s ALA 115 CO 0.30 -1.21 0.59 -1.13 0.00 0.00 0.00 175.76 174.30 1t0t n SER 116 N 5.25 0.37 0.00 0.00 3.41 -1.26 -4.99 113.62 116.40 1t0t n SER 116 Ca -0.11 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1t0t n SER 116 Cb 0.49 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 1t0t n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t0t n GLY 117 N 1.37 2.81 1.32 5.00 0.00 -1.26 -4.89 105.19 109.54 1t0t n GLY 117 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1t0t n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t0t n SER 118 N 0.00 3.84 -3.84 1.61 3.41 -1.26 -4.89 113.62 112.49 1t0t n SER 118 Ca 0.00 -2.00 -0.11 0.00 -0.26 0.00 0.00 58.87 56.50 1t0t n SER 118 Cb 0.00 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 63.40 1t0t n SER 118 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1t0t s GLU 119 N -1.08 0.65 -0.44 4.33 2.02 -1.26 -5.10 118.70 117.81 1t0t s GLU 119 Ca 0.48 -0.52 -0.24 0.00 0.02 0.00 0.00 54.97 54.70 1t0t s GLU 119 Cb 0.25 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.77 1t0t s GLU 119 CO 0.33 -0.18 0.86 0.34 0.02 0.00 0.00 175.26 176.63 1t0t s ASP 120 N -1.83 6.49 0.52 -0.19 2.15 -1.26 -4.91 116.67 117.63 1t0t s ASP 120 Ca -0.08 0.11 0.35 0.00 0.43 0.00 0.00 52.55 53.35 1t0t s ASP 120 Cb -0.03 -2.42 1.68 0.00 -0.30 0.00 0.00 42.92 41.85 1t0t s ASP 120 CO -0.02 -0.95 2.04 1.55 -0.17 0.00 0.00 175.17 177.63 1t0t h PRO 121 N 8.93 0.00 0.00 4.34 0.13 -1.98 0.71 132.00 144.12 1t0t h PRO 121 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1t0t h PRO 121 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1t0t h PRO 121 CO 0.99 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.42 1t0t n TYR 122 N -2.84 0.11 0.04 1.56 4.01 -1.26 -2.00 117.16 116.78 1t0t n TYR 122 Ca -0.01 0.04 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 1t0t n TYR 122 Cb 0.17 -0.57 0.08 0.00 -0.31 0.00 0.00 39.34 38.71 1t0t n TYR 122 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1t0t n GLN 123 N -1.60 1.89 -3.29 -0.72 1.13 0.24 -4.78 117.38 110.25 1t0t n GLN 123 Ca 0.03 -1.57 -0.39 0.00 -1.94 0.00 0.00 57.00 53.14 1t0t n GLN 123 Cb 0.18 -1.18 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 1t0t n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1t0t s ILE 124 N -0.89 5.15 0.20 5.09 1.01 -0.85 -5.00 121.20 125.92 1t0t s ILE 124 Ca 0.14 0.93 -0.10 0.00 0.00 0.00 0.00 60.65 61.62 1t0t s ILE 124 Cb 0.08 -3.82 0.13 0.00 0.01 0.00 0.00 42.46 38.86 1t0t s ILE 124 CO 0.11 0.25 1.77 -0.65 0.00 0.00 0.00 174.94 176.42 1t0t h PRO 125 N 7.14 0.49 -0.24 2.79 0.11 -1.93 -0.46 132.00 139.90 1t0t h PRO 125 Ca -0.37 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.75 1t0t h PRO 125 Cb 1.16 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1t0t h PRO 125 CO 0.74 0.32 0.16 0.93 -0.21 0.00 0.00 178.00 179.95 1t0t h GLU 126 N 0.51 0.12 0.09 1.05 3.07 -1.94 -2.14 114.58 115.34 1t0t h GLU 126 Ca 0.28 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.88 1t0t h GLU 126 Cb 0.27 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1t0t h GLU 126 CO -0.23 0.08 -1.34 0.28 -1.40 0.00 0.00 179.01 176.40 1t0t h VAL 127 N 0.13 1.03 -0.34 3.13 2.07 -1.56 -3.38 116.25 117.33 1t0t h VAL 127 Ca 0.11 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.32 1t0t h VAL 127 Cb 0.26 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1t0t h VAL 127 CO -0.01 0.64 0.23 0.03 0.02 0.00 0.00 177.57 178.48 1t0t h ARG 128 N -0.45 0.27 0.00 1.57 3.08 -0.92 -0.29 114.38 117.65 1t0t h ARG 128 Ca -0.30 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1t0t h ARG 128 Cb 1.65 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.64 1t0t h ARG 128 CO 0.01 0.18 0.00 2.89 -1.07 0.00 0.00 179.97 181.98 1t0t n ARG 129 N -4.48 0.04 -0.07 0.04 1.85 -0.82 -1.25 116.66 111.97 1t0t n ARG 129 Ca 0.03 0.05 -0.17 0.00 -1.00 0.00 0.00 57.85 56.76 1t0t n ARG 129 Cb 0.20 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.98 1t0t n ARG 129 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1t0t n ARG 130 N -1.48 0.69 -0.33 2.89 1.74 -0.48 -3.81 116.66 115.88 1t0t n ARG 130 Ca 0.07 0.19 0.02 0.00 -0.77 0.00 0.00 57.85 57.35 1t0t n ARG 130 Cb 0.29 -1.62 0.19 0.00 -1.02 0.00 0.00 32.46 30.31 1t0t n ARG 130 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1t0t h LEU 131 N 0.03 1.00 -5.73 0.55 3.38 -0.85 -3.37 115.31 110.32 1t0t h LEU 131 Ca -0.49 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.92 1t0t h LEU 131 Cb 2.00 -0.22 -0.41 0.00 0.09 0.00 0.00 40.66 42.12 1t0t h LEU 131 CO 0.01 0.67 -0.85 -1.22 0.09 0.00 0.00 178.44 177.14 1t0t n TYR 132 N -4.46 2.33 -2.61 1.13 4.01 -0.38 -1.86 117.16 115.32 1t0t n TYR 132 Ca 0.13 -3.92 -0.39 0.00 -0.16 0.00 0.00 57.90 53.56 1t0t n TYR 132 Cb 0.13 -0.46 -0.05 0.00 -0.31 0.00 0.00 39.34 38.65 1t0t n TYR 132 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1t0t s PRO 133 N -2.74 4.66 -0.29 -0.72 0.04 -1.25 -4.75 135.00 129.95 1t0t s PRO 133 Ca 0.43 1.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 1t0t s PRO 133 Cb 0.27 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1t0t s PRO 133 CO -0.10 0.29 0.89 0.42 0.04 0.00 0.00 177.00 178.54 1t0t s ILE 134 N -1.28 4.72 0.38 0.56 -1.09 -1.26 -4.67 121.20 118.57 1t0t s ILE 134 Ca 0.45 1.46 -0.27 0.00 -2.23 0.00 0.00 60.65 60.06 1t0t s ILE 134 Cb -0.27 -4.22 -0.10 0.00 -1.58 0.00 0.00 42.46 36.29 1t0t s ILE 134 CO 0.34 -0.27 1.41 -0.76 -1.23 0.00 0.00 174.94 174.44 1t0t s LEU 135 N 3.12 4.29 0.38 2.97 1.43 -1.26 -4.96 118.68 124.66 1t0t s LEU 135 Ca 0.37 2.90 -0.26 0.00 -1.03 0.00 0.00 54.13 56.11 1t0t s LEU 135 Cb -0.14 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 1t0t s LEU 135 CO 0.12 -0.86 1.22 -2.84 0.23 0.00 0.00 176.35 174.22 1t0t s PRO 136 N -2.12 4.12 -0.95 1.29 0.02 -1.26 -4.93 135.00 131.17 1t0t s PRO 136 Ca 0.54 1.99 -0.00 0.00 0.02 0.00 0.00 61.00 63.54 1t0t s PRO 136 Cb -0.43 -2.80 0.33 0.00 0.02 0.00 0.00 34.50 31.61 1t0t s PRO 136 CO 0.58 -0.31 1.73 1.63 -0.33 0.00 0.00 177.00 180.30 1t0t n LYS 137 N 0.29 4.93 -1.95 5.54 5.02 -1.26 -5.02 118.16 125.72 1t0t n LYS 137 Ca 0.03 -4.60 -0.30 0.00 -2.02 0.00 0.00 58.31 51.43 1t0t n LYS 137 Cb 0.45 -2.42 0.05 0.00 -0.02 0.00 0.00 35.03 33.09 1t0t n LYS 137 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1t0t s THR 138 N -4.44 3.32 0.45 -0.18 -4.23 -1.26 -4.96 115.64 104.34 1t0t s THR 138 Ca 0.41 0.37 0.15 0.00 -1.18 0.00 0.00 61.69 61.44 1t0t s THR 138 Cb 0.22 -3.41 0.18 0.00 1.34 0.00 0.00 72.50 70.83 1t0t s THR 138 CO -0.16 -0.53 1.99 0.78 -0.54 0.00 0.00 174.62 176.16 1t0t h ASN 139 N -0.65 0.00 -4.48 3.99 2.35 -1.84 -3.40 115.58 111.56 1t0t h ASN 139 Ca -0.45 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.05 1t0t h ASN 139 Cb 1.26 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.48 1t0t h ASN 139 CO 0.64 0.18 -0.70 -0.31 -1.65 0.00 0.00 177.43 175.59 1t0t s TYR 140 N -4.63 0.96 0.06 1.19 2.02 -0.33 -0.70 117.35 115.93 1t0t s TYR 140 Ca -0.04 -0.87 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 1t0t s TYR 140 Cb 0.16 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 41.14 1t0t s TYR 140 CO 0.70 -0.10 -0.05 -1.50 -1.57 0.00 0.00 175.55 173.03 1t0t s ILE 141 N -3.48 0.37 -0.03 2.71 2.07 -0.75 -2.53 121.20 119.56 1t0t s ILE 141 Ca 0.12 -1.57 -0.01 0.00 -1.41 0.00 0.00 60.65 57.78 1t0t s ILE 141 Cb 0.04 -1.19 0.02 0.00 0.13 0.00 0.00 42.46 41.46 1t0t s ILE 141 CO -0.03 -0.78 0.06 0.00 -1.91 0.00 0.00 174.94 172.27 1t0t s PHE 143 N 0.74 1.90 -0.12 0.00 5.36 0.23 -0.19 117.98 125.89 1t0t s PHE 143 Ca -0.06 -0.37 -0.22 0.00 -0.96 0.00 0.00 56.93 55.32 1t0t s PHE 143 Cb -0.08 -1.17 0.05 0.00 -0.34 0.00 0.00 43.02 41.48 1t0t s PHE 143 CO -0.03 0.04 0.55 1.52 -1.46 0.00 0.00 175.22 175.84 1t0t s TYR 144 N -0.66 -0.54 0.39 10.12 -0.85 -0.48 -1.08 117.35 124.25 1t0t s TYR 144 Ca 0.08 1.12 0.01 0.00 -0.52 0.00 0.00 57.07 57.76 1t0t s TYR 144 Cb -0.09 0.25 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 1t0t s TYR 144 CO 0.01 -0.42 0.59 -1.25 -1.52 0.00 0.00 175.55 172.95 1t0t s PRO 145 N -0.55 3.29 0.07 -3.49 0.04 -1.26 -0.33 135.00 132.77 1t0t s PRO 145 Ca -0.07 -0.46 -0.18 0.00 0.04 0.00 0.00 61.00 60.34 1t0t s PRO 145 Cb -0.03 -2.64 0.04 0.00 0.04 0.00 0.00 34.50 31.91 1t0t s PRO 145 CO 0.05 -0.02 0.41 0.00 0.04 0.00 0.00 177.00 177.47 1t0t s MET 146 N -4.40 0.96 0.29 4.56 0.23 0.04 -0.97 119.30 120.02 1t0t s MET 146 Ca 0.44 -0.46 0.10 0.00 -1.03 0.00 0.00 55.69 54.74 1t0t s MET 146 Cb -0.10 0.43 -0.05 0.00 -1.53 0.00 0.00 34.83 33.58 1t0t s MET 146 CO 0.36 -0.34 -0.03 -0.51 -2.03 0.00 0.00 175.02 172.47 1t0t s ASP 147 N -2.22 4.27 -0.14 -1.18 1.01 0.12 -1.44 116.67 117.08 1t0t s ASP 147 Ca -0.03 -0.82 -0.15 0.00 0.71 0.00 0.00 52.55 52.27 1t0t s ASP 147 Cb -0.00 -0.65 -0.05 0.00 1.01 0.00 0.00 42.92 43.23 1t0t s ASP 147 CO -0.05 -0.07 0.34 -0.54 0.21 0.00 0.00 175.17 175.06 1t0t s LYS 148 N -3.66 4.23 0.52 8.23 -0.14 -1.26 -1.53 119.74 126.13 1t0t s LYS 148 Ca 0.32 0.19 -0.22 0.00 -1.36 0.00 0.00 55.97 54.89 1t0t s LYS 148 Cb -0.04 -3.41 -0.06 0.00 -1.68 0.00 0.00 37.83 32.64 1t0t s LYS 148 CO 0.19 0.27 1.35 0.50 -0.76 0.00 0.00 175.35 176.90 1t0t s ARG 149 N 0.35 3.30 -0.44 1.68 3.52 0.13 -4.84 118.95 122.65 1t0t s ARG 149 Ca 0.19 2.22 0.09 0.00 -0.13 0.00 0.00 55.73 58.10 1t0t s ARG 149 Cb -0.14 -2.35 0.30 0.00 -1.56 0.00 0.00 34.95 31.21 1t0t s ARG 149 CO 0.06 -1.06 0.69 0.54 -0.81 0.00 0.00 175.30 174.72 1t0t n ARG 150 N -0.82 1.38 -3.78 5.12 1.74 -1.24 -0.99 116.66 118.08 1t0t n ARG 150 Ca 0.09 -3.68 -0.24 0.00 -0.77 0.00 0.00 57.85 53.25 1t0t n ARG 150 Cb 0.45 -1.67 -0.17 0.00 -1.02 0.00 0.00 32.46 30.04 1t0t n ARG 150 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1t0t s GLN 151 N -2.15 0.71 5.60 5.56 -1.52 -0.64 -4.91 119.66 122.31 1t0t s GLN 151 Ca 0.39 -0.03 0.00 0.00 -1.95 0.00 0.00 55.36 53.77 1t0t s GLN 151 Cb 0.25 -1.26 0.00 0.00 -0.22 0.00 0.00 33.01 31.79 1t0t s GLN 151 CO -0.09 -0.37 0.00 0.41 -0.25 0.00 0.00 175.29 174.99 1t0t n GLY 152 N 5.11 3.35 0.09 3.09 0.00 -1.26 -0.52 105.19 115.05 1t0t n GLY 152 Ca -0.08 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.06 1t0t n GLY 152 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1t0t n ASN 153 N 4.15 0.27 -3.58 1.61 3.02 -1.26 -3.91 115.26 115.56 1t0t n ASN 153 Ca 0.00 -1.13 -0.36 0.00 -0.03 0.00 0.00 54.58 53.05 1t0t n ASN 153 Cb 0.00 -0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 1t0t n ASN 153 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1t0t n ASP 154 N -0.77 5.82 -4.09 6.41 8.00 0.32 -4.96 116.55 127.29 1t0t n ASP 154 Ca 0.22 -3.56 -0.34 0.00 0.71 0.00 0.00 54.79 51.82 1t0t n ASP 154 Cb 0.15 -0.99 -0.13 0.00 -0.02 0.00 0.00 41.12 40.14 1t0t n ASP 154 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1t0t s ASN 155 N -2.13 5.09 0.28 -2.24 3.84 -1.25 -1.62 114.94 116.91 1t0t s ASN 155 Ca 0.39 -2.05 0.01 0.00 0.21 0.00 0.00 52.86 51.41 1t0t s ASN 155 Cb 0.16 -1.76 0.55 0.00 -0.55 0.00 0.00 41.25 39.64 1t0t s ASN 155 CO -0.03 -0.48 1.83 -0.25 -2.79 0.00 0.00 177.10 175.37 1t0t h TRP 156 N 7.90 1.10 -0.00 0.43 2.91 -1.39 -1.89 115.95 125.02 1t0t h TRP 156 Ca -0.10 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.95 1t0t h TRP 156 Cb 1.04 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 29.34 1t0t h TRP 156 CO 0.52 0.42 -0.05 0.66 -1.03 0.00 0.00 178.44 178.97 1t0t n TYR 157 N -4.65 0.00 0.79 2.65 4.01 -1.26 -2.30 117.16 116.40 1t0t n TYR 157 Ca 0.19 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.01 1t0t n TYR 157 Cb 0.36 -0.17 -0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1t0t n TYR 157 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1t0t n MET 158 N -1.01 1.56 -1.19 -0.72 2.81 -0.72 -4.96 117.12 112.88 1t0t n MET 158 Ca 0.17 -0.86 -0.31 0.00 -1.81 0.00 0.00 57.70 54.89 1t0t n MET 158 Cb 0.23 -1.33 0.10 0.00 -0.71 0.00 0.00 33.22 31.52 1t0t n MET 158 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1t0t s LEU 159 N -2.15 3.02 0.73 4.03 1.43 -0.97 -5.03 118.68 119.73 1t0t s LEU 159 Ca 0.15 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 1t0t s LEU 159 Cb 0.14 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.86 1t0t s LEU 159 CO 0.45 -2.19 1.07 -0.94 0.23 0.00 0.00 176.35 174.97 1t0t s SER 160 N -3.25 5.13 0.25 2.29 1.04 -1.26 -4.89 113.70 113.00 1t0t s SER 160 Ca 0.62 1.49 -0.04 0.00 0.48 0.00 0.00 55.95 58.51 1t0t s SER 160 Cb -0.18 -2.33 0.45 0.00 0.10 0.00 0.00 66.02 64.06 1t0t s SER 160 CO 0.56 -1.59 1.75 -0.03 0.98 0.00 0.00 173.24 174.91 1t0t h MET 161 N -0.82 0.53 -0.25 4.02 4.05 -1.97 -1.44 114.93 119.05 1t0t h MET 161 Ca -0.45 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 58.93 1t0t h MET 161 Cb 1.23 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 1t0t h MET 161 CO 0.58 0.35 0.10 0.93 0.23 0.00 0.00 176.91 179.10 1t0t h GLU 162 N 0.54 0.37 -0.37 0.39 3.07 -1.99 -0.82 114.58 115.78 1t0t h GLU 162 Ca 0.41 -0.07 0.03 0.00 -0.50 0.00 0.00 59.36 59.24 1t0t h GLU 162 Cb 0.56 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1t0t h GLU 162 CO -0.35 0.41 0.17 1.96 -1.40 0.00 0.00 179.01 179.80 1t0t h GLN 163 N 0.26 0.35 -0.46 2.33 4.20 -1.88 -0.68 115.11 119.23 1t0t h GLN 163 Ca 0.08 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1t0t h GLN 163 Cb 0.17 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1t0t h GLN 163 CO -0.01 0.23 0.24 0.00 -0.67 0.00 0.00 178.83 178.63 1t0t h ARG 164 N 0.36 0.47 -0.40 1.46 3.08 -1.04 -1.28 114.38 117.04 1t0t h ARG 164 Ca 0.16 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1t0t h ARG 164 Cb 0.08 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1t0t h ARG 164 CO -0.12 0.31 0.19 -0.09 -1.07 0.00 0.00 179.97 179.19 1t0t h ARG 165 N 0.48 0.38 -0.42 0.04 2.43 -0.83 0.06 114.38 116.53 1t0t h ARG 165 Ca 0.20 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 1t0t h ARG 165 Cb 0.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1t0t h ARG 165 CO -0.13 0.25 -0.21 0.93 -1.51 0.00 0.00 179.97 179.31 1t0t h GLU 166 N 0.39 0.82 -0.87 0.20 4.39 -0.89 -1.91 114.58 116.71 1t0t h GLU 166 Ca 0.17 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1t0t h GLU 166 Cb 0.08 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1t0t h GLU 166 CO -0.12 0.95 0.51 -0.07 -1.16 0.00 0.00 179.01 179.12 1t0t h LEU 167 N 0.72 1.06 -0.52 1.33 3.38 -0.69 -2.48 115.31 118.11 1t0t h LEU 167 Ca 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1t0t h LEU 167 Cb 0.73 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1t0t h LEU 167 CO 0.06 0.83 0.00 0.23 0.09 0.00 0.00 178.44 179.65 1t0t n MET 168 N -4.40 0.23 0.02 1.13 2.81 -0.04 -3.37 117.12 113.49 1t0t n MET 168 Ca 0.09 0.37 -0.12 0.00 -1.81 0.00 0.00 57.70 56.23 1t0t n MET 168 Cb 0.07 -1.87 -0.08 0.00 -0.71 0.00 0.00 33.22 30.63 1t0t n MET 168 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1t0t h ARG 169 N 0.00 0.03 -0.56 0.03 2.43 -0.87 -1.83 114.38 113.60 1t0t h ARG 169 Ca 0.00 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1t0t h ARG 169 Cb 0.48 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1t0t h ARG 169 CO 0.00 0.17 0.12 0.00 -1.51 0.00 0.00 179.97 178.74 1t0t h ALA 170 N 0.86 1.15 -0.53 2.80 0.00 -1.66 0.04 119.26 121.92 1t0t h ALA 170 Ca 0.01 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1t0t h ALA 170 Cb 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1t0t h ALA 170 CO -0.00 0.57 0.29 1.25 0.00 0.00 0.00 179.25 181.37 1t0t h HIS 171 N 0.84 0.55 -0.52 0.00 -0.00 -1.58 -0.56 115.15 113.89 1t0t h HIS 171 Ca 0.18 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.49 1t0t h HIS 171 Cb 0.33 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 1t0t h HIS 171 CO 0.02 0.29 0.01 0.78 -0.00 0.00 0.00 177.93 179.03 1t0t h GLY 172 N 0.58 0.93 1.10 5.26 0.00 -0.82 -2.14 103.07 107.97 1t0t h GLY 172 Ca 0.22 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1t0t h GLY 172 CO -0.13 0.58 0.19 -0.33 0.00 0.00 0.00 176.54 176.85 1t0t h MET 173 N 0.80 1.12 -0.49 4.80 2.86 -0.20 -1.42 114.93 122.40 1t0t h MET 173 Ca 0.15 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1t0t h MET 173 Cb 0.46 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1t0t h MET 173 CO 0.02 0.97 0.02 1.15 1.06 0.00 0.00 176.91 180.13 1t0t h THR 174 N 1.06 1.26 -0.75 2.22 2.02 -0.73 -2.72 112.91 115.26 1t0t h THR 174 Ca 0.22 -1.04 0.08 0.00 0.77 0.00 0.00 66.41 66.44 1t0t h THR 174 Cb 0.35 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 1t0t h THR 174 CO -0.00 0.36 0.42 1.23 0.37 0.00 0.00 175.52 177.91 1t0t h GLY 175 N 0.72 1.13 1.54 2.16 0.00 -1.10 -2.26 103.07 105.26 1t0t h GLY 175 Ca 0.14 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.23 1t0t h GLY 175 CO 0.02 0.15 0.19 3.21 0.00 0.00 0.00 176.54 180.10 1t0t h ARG 176 N 0.75 0.00 0.00 4.80 3.08 -0.94 0.61 114.38 122.68 1t0t h ARG 176 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1t0t h ARG 176 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1t0t h ARG 176 CO -0.22 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.55 1t0t h LYS 177 N 0.00 0.00 -0.22 0.04 1.57 -1.39 -2.74 116.57 113.83 1t0t h LYS 177 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1t0t h LYS 177 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1t0t h LYS 177 CO -0.00 0.00 -0.01 0.66 -0.57 0.00 0.00 179.45 179.53 1t0t n TYR 178 N -2.29 0.79 -1.68 -1.35 4.01 0.21 -4.98 117.16 111.87 1t0t n TYR 178 Ca 0.01 -0.98 -0.46 0.00 -0.16 0.00 0.00 57.90 56.31 1t0t n TYR 178 Cb 0.18 -0.30 -0.04 0.00 -0.31 0.00 0.00 39.34 38.86 1t0t n TYR 178 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1t0t n ALA 179 N -0.74 1.41 -0.59 -0.72 0.00 -1.04 -0.38 120.51 118.45 1t0t n ALA 179 Ca 0.22 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1t0t n ALA 179 Cb 0.86 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1t0t n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t0t n GLY 180 N 3.76 1.46 0.11 0.00 0.00 -1.26 -4.80 105.19 104.46 1t0t n GLY 180 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1t0t n GLY 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t0t n LYS 181 N -2.00 0.63 -4.02 1.61 5.02 0.49 -5.02 118.16 114.86 1t0t n LYS 181 Ca 0.00 0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 1t0t n LYS 181 Cb 0.00 -1.44 -0.13 0.00 -0.02 0.00 0.00 35.03 33.43 1t0t n LYS 181 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1t0t s VAL 182 N -2.44 0.26 -0.01 -0.18 1.01 -0.92 -4.49 120.40 113.64 1t0t s VAL 182 Ca -0.27 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1t0t s VAL 182 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1t0t s VAL 182 CO 0.53 -0.12 -0.26 0.42 0.00 0.00 0.00 175.10 175.68 1t0t s THR 183 N -0.55 2.10 -0.11 3.92 -4.23 -0.65 -4.73 115.64 111.39 1t0t s THR 183 Ca -0.04 -1.14 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 1t0t s THR 183 Cb -0.04 -1.74 -0.00 0.00 1.34 0.00 0.00 72.50 72.06 1t0t s THR 183 CO -0.00 0.55 -0.21 -1.58 -0.54 0.00 0.00 174.62 172.83 1t0t s GLN 184 N -0.72 3.11 -0.31 3.99 0.74 -1.26 -0.45 119.66 124.77 1t0t s GLN 184 Ca 0.10 -0.84 -0.08 0.00 0.05 0.00 0.00 55.36 54.60 1t0t s GLN 184 Cb -0.10 -2.39 0.00 0.00 1.10 0.00 0.00 33.01 31.62 1t0t s GLN 184 CO -0.00 0.15 0.12 0.42 -0.55 0.00 0.00 175.29 175.42 1t0t s ILE 185 N 0.44 4.24 -0.24 -2.34 -1.09 0.55 -4.98 121.20 117.78 1t0t s ILE 185 Ca -0.15 -0.61 -0.13 0.00 -2.23 0.00 0.00 60.65 57.53 1t0t s ILE 185 Cb -0.17 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 1t0t s ILE 185 CO 0.06 0.05 0.27 -0.63 -1.23 0.00 0.00 174.94 173.46 1t0t s ILE 186 N 1.54 5.28 0.05 2.92 -1.09 -1.26 -1.77 121.20 126.87 1t0t s ILE 186 Ca 0.03 0.39 0.08 0.00 -2.23 0.00 0.00 60.65 58.92 1t0t s ILE 186 Cb -0.17 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1t0t s ILE 186 CO 0.04 0.28 -0.20 0.42 -1.23 0.00 0.00 174.94 174.25 1t0t s THR 187 N 1.36 2.66 -0.08 2.92 -4.23 -0.54 -2.43 115.64 115.30 1t0t s THR 187 Ca 0.12 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1t0t s THR 187 Cb -0.14 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1t0t s THR 187 CO 0.07 0.31 0.09 -0.83 -0.54 0.00 0.00 174.62 173.72 1t0t s GLY 188 N -1.50 2.04 -0.01 3.99 0.00 0.15 -0.69 107.32 111.30 1t0t s GLY 188 Ca 0.14 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1t0t s GLY 188 CO 0.05 -0.53 0.73 -1.14 0.00 0.00 0.00 173.10 172.21 1t0t n SER 189 N 1.78 0.29 -4.71 1.64 3.41 -0.00 -0.72 113.62 115.31 1t0t n SER 189 Ca -0.17 -1.50 -0.42 0.00 -0.26 0.00 0.00 58.87 56.51 1t0t n SER 189 Cb 0.54 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1t0t n SER 189 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1t0t s VAL 190 N -0.23 2.35 0.00 -3.33 1.01 -1.16 -0.91 120.40 118.12 1t0t s VAL 190 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1t0t s VAL 190 Cb 0.01 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1t0t s VAL 190 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1t0t n GLY 191 N 4.00 1.73 0.00 4.51 0.00 -1.26 -4.80 105.19 109.37 1t0t n GLY 191 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1t0t n GLY 191 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t0t n LEU 192 N 0.00 0.80 0.00 0.99 4.77 -0.09 -5.12 117.00 118.36 1t0t n LEU 192 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1t0t n LEU 192 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1t0t n LEU 192 CO 0.00 0.13 0.00 -0.67 -1.33 0.00 0.00 177.39 175.52 1t0t n ASP 193 N -2.07 0.00 0.14 -1.43 -0.08 -0.60 -4.77 116.55 107.74 1t0t n ASP 193 Ca 0.00 -0.48 0.09 0.00 -1.51 0.00 0.00 54.79 52.89 1t0t n ASP 193 Cb 0.47 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.98 1t0t n ASP 193 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1t0t h ASP 194 N 0.00 0.00 -4.15 1.67 5.19 -1.92 -3.44 116.42 113.77 1t0t h ASP 194 Ca 0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 1t0t h ASP 194 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1t0t h ASP 194 CO 0.00 0.15 -0.09 0.49 -3.12 0.00 0.00 179.24 176.67 1t0t n PHE 195 N -2.92 -1.06 -0.08 4.55 3.72 -1.26 -5.07 117.46 115.34 1t0t n PHE 195 Ca 0.00 -0.71 -0.10 0.00 -0.05 0.00 0.00 57.45 56.58 1t0t n PHE 195 Cb 0.61 -0.13 -0.15 0.00 -0.94 0.00 0.00 39.48 38.87 1t0t n PHE 195 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1t0t n GLU 196 N -0.84 0.67 -3.96 -1.08 1.02 -0.69 -3.99 120.64 111.78 1t0t n GLU 196 Ca -0.01 0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 57.13 1t0t n GLU 196 Cb 0.19 -1.60 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 1t0t n GLU 196 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1t0t s TRP 197 N -2.52 0.21 -0.12 -0.32 0.51 -0.52 -0.82 118.94 115.35 1t0t s TRP 197 Ca -0.11 -0.44 -0.05 0.00 -2.12 0.00 0.00 56.10 53.38 1t0t s TRP 197 Cb 0.07 -0.16 -0.04 0.00 -0.81 0.00 0.00 33.47 32.53 1t0t s TRP 197 CO 0.81 -0.21 0.07 0.20 -0.51 0.00 0.00 176.95 177.32 1t0t s GLY 198 N -1.42 1.99 -0.17 0.98 0.00 0.13 -0.78 107.32 108.06 1t0t s GLY 198 Ca -0.15 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 43.84 1t0t s GLY 198 CO -0.00 -0.34 -0.15 0.14 0.00 0.00 0.00 173.10 172.74 1t0t s VAL 199 N -0.64 2.58 -0.16 1.40 1.01 0.56 -1.46 120.40 123.69 1t0t s VAL 199 Ca 0.12 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1t0t s VAL 199 Cb -0.12 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1t0t s VAL 199 CO 0.02 0.51 -0.17 -0.89 0.00 0.00 0.00 175.10 174.57 1t0t s THR 200 N 1.06 1.82 -0.08 3.92 2.01 -0.73 -1.38 115.64 122.26 1t0t s THR 200 Ca -0.01 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 1t0t s THR 200 Cb -0.14 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1t0t s THR 200 CO -0.04 0.50 0.04 -0.76 -0.69 0.00 0.00 174.62 173.67 1t0t s LEU 201 N 1.35 3.79 -0.06 4.42 1.43 0.73 -0.33 118.68 130.02 1t0t s LEU 201 Ca 0.04 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1t0t s LEU 201 Cb -0.13 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1t0t s LEU 201 CO -0.11 0.37 -0.18 -0.36 0.23 0.00 0.00 176.35 176.29 1t0t s PHE 202 N -0.97 1.91 -0.10 0.29 0.08 0.40 -1.43 117.98 118.17 1t0t s PHE 202 Ca 0.15 -0.64 -0.26 0.00 0.12 0.00 0.00 56.93 56.30 1t0t s PHE 202 Cb -0.12 -1.30 0.06 0.00 -0.57 0.00 0.00 43.02 41.10 1t0t s PHE 202 CO 0.05 -0.25 0.62 0.45 -0.10 0.00 0.00 175.22 175.99 1t0t s SER 203 N 0.21 -0.60 0.00 1.36 0.15 -1.05 -1.64 113.70 112.13 1t0t s SER 203 Ca -0.09 0.80 0.26 0.00 0.70 0.00 0.00 55.95 57.61 1t0t s SER 203 Cb -0.14 0.73 1.30 0.00 -1.71 0.00 0.00 66.02 66.20 1t0t s SER 203 CO 0.04 -0.48 1.86 0.47 1.20 0.00 0.00 173.24 176.34 1t0t n ASP 204 N 1.47 0.00 -3.74 5.45 8.00 -1.26 -1.18 116.55 125.29 1t0t n ASP 204 Ca -0.18 -0.09 -0.29 0.00 0.71 0.00 0.00 54.79 54.94 1t0t n ASP 204 Cb 0.56 -0.28 -0.16 0.00 -0.02 0.00 0.00 41.12 41.23 1t0t n ASP 204 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1t0t s ASP 205 N -2.56 3.42 0.56 -2.24 2.15 -1.26 -4.74 116.67 112.00 1t0t s ASP 205 Ca 0.25 -1.16 0.29 0.00 0.43 0.00 0.00 52.55 52.36 1t0t s ASP 205 Cb 0.17 -0.72 1.68 0.00 -0.30 0.00 0.00 42.92 43.75 1t0t s ASP 205 CO 0.39 -0.35 2.18 0.00 -0.17 0.00 0.00 175.17 177.22 1t0t h ALA 206 N 8.18 1.38 0.00 3.66 0.00 -1.97 -1.44 119.26 129.07 1t0t h ALA 206 Ca -0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1t0t h ALA 206 Cb 1.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1t0t h ALA 206 CO 0.40 0.07 -0.11 -0.07 0.00 0.00 0.00 179.25 179.53 1t0t h LEU 207 N 0.00 0.00 -1.72 0.00 3.38 -1.98 -2.11 115.31 112.87 1t0t h LEU 207 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1t0t h LEU 207 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1t0t h LEU 207 CO 0.01 0.11 -0.17 1.56 0.09 0.00 0.00 178.44 180.04 1t0t h GLN 208 N 0.00 0.00 -0.36 1.13 1.08 -1.65 -1.12 115.11 114.19 1t0t h GLN 208 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1t0t h GLN 208 Cb 0.23 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1t0t h GLN 208 CO 0.01 0.17 0.22 0.74 -0.95 0.00 0.00 178.83 179.03 1t0t h PHE 209 N 0.00 0.47 -0.12 2.96 0.04 -1.53 -0.42 116.94 118.33 1t0t h PHE 209 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1t0t h PHE 209 Cb 0.41 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 1t0t h PHE 209 CO 0.00 0.33 -0.02 -0.22 -0.60 0.00 0.00 178.31 177.80 1t0t h LYS 210 N 0.47 0.23 -0.25 1.51 3.64 -1.54 -0.49 116.57 120.15 1t0t h LYS 210 Ca 0.13 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1t0t h LYS 210 Cb -0.01 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1t0t h LYS 210 CO -0.03 0.51 0.03 0.87 -2.27 0.00 0.00 179.45 178.56 1t0t h LYS 211 N -0.07 0.12 -0.05 1.90 1.57 -1.15 -1.00 116.57 117.89 1t0t h LYS 211 Ca 0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1t0t h LYS 211 Cb 0.42 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1t0t h LYS 211 CO 0.01 0.08 -0.01 1.25 -0.57 0.00 0.00 179.45 180.21 1t0t h LEU 212 N 0.12 0.09 -1.01 2.94 5.85 -1.03 -0.68 115.31 121.59 1t0t h LEU 212 Ca 0.12 -0.37 -0.10 0.00 0.84 0.00 0.00 57.88 58.37 1t0t h LEU 212 Cb 0.13 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1t0t h LEU 212 CO -0.17 0.44 -0.37 0.58 -0.34 0.00 0.00 178.44 178.58 1t0t h VAL 213 N -0.26 1.29 -0.18 1.05 2.07 -1.06 -0.66 116.25 118.50 1t0t h VAL 213 Ca 0.01 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.03 1t0t h VAL 213 Cb 0.40 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1t0t h VAL 213 CO 0.00 0.42 -0.22 0.22 0.02 0.00 0.00 177.57 178.02 1t0t h TYR 214 N 0.21 0.57 -0.62 1.57 3.20 -1.13 -2.56 116.97 118.20 1t0t h TYR 214 Ca 0.02 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 1t0t h TYR 214 Cb 0.75 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 1t0t h TYR 214 CO 0.01 0.85 0.25 1.49 -1.64 0.00 0.00 178.16 179.13 1t0t h GLU 215 N 0.12 0.90 -0.31 1.82 4.81 -0.70 -1.93 114.58 119.30 1t0t h GLU 215 Ca 0.02 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1t0t h GLU 215 Cb 0.78 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1t0t h GLU 215 CO 0.05 0.74 0.03 0.52 -0.73 0.00 0.00 179.01 179.62 1t0t h MET 216 N 0.89 0.45 0.00 1.92 2.86 -1.02 -2.65 114.93 117.39 1t0t h MET 216 Ca 0.21 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1t0t h MET 216 Cb 0.17 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1t0t h MET 216 CO -0.02 0.46 0.00 -0.09 1.06 0.00 0.00 176.91 178.32 1t0t h ARG 217 N 0.44 0.00 -0.01 1.72 2.43 -0.92 -0.44 114.38 117.60 1t0t h ARG 217 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1t0t h ARG 217 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1t0t h ARG 217 CO 0.00 0.00 -0.36 1.19 -1.51 0.00 0.00 179.97 179.29 1t0t n PHE 218 N -2.33 0.00 -2.67 2.20 3.72 -1.00 -3.09 117.46 114.29 1t0t n PHE 218 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 1t0t n PHE 218 Cb 0.15 -0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 1t0t n PHE 218 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1t0t s ASP 219 N -2.56 7.45 0.32 4.37 1.01 -0.18 -4.86 116.67 122.22 1t0t s ASP 219 Ca 0.21 2.02 0.03 0.00 0.71 0.00 0.00 52.55 55.52 1t0t s ASP 219 Cb 0.19 -2.61 0.62 0.00 1.01 0.00 0.00 42.92 42.13 1t0t s ASP 219 CO 0.56 0.01 1.91 -0.08 0.21 0.00 0.00 175.17 177.78 1t0t h GLU 220 N 3.81 0.89 -0.90 8.23 4.81 -1.87 0.17 114.58 129.72 1t0t h GLU 220 Ca -0.46 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 58.77 1t0t h GLU 220 Cb 1.20 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.32 1t0t h GLU 220 CO 0.67 0.59 0.59 -0.24 -0.73 0.00 0.00 179.01 179.89 1t0t h VAL 221 N 0.92 1.09 0.11 0.32 3.04 -1.91 -1.31 116.25 118.51 1t0t h VAL 221 Ca 0.39 -0.36 -0.23 0.00 -1.01 0.00 0.00 66.70 65.48 1t0t h VAL 221 Cb 0.30 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.52 1t0t h VAL 221 CO -0.15 0.19 -1.15 0.28 -1.01 0.00 0.00 177.57 175.73 1t0t h SER 222 N 1.06 0.35 -0.34 3.17 0.02 -1.51 -1.83 113.55 114.47 1t0t h SER 222 Ca 0.38 -0.86 0.04 0.00 -0.84 0.00 0.00 61.79 60.50 1t0t h SER 222 Cb 0.15 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1t0t h SER 222 CO -0.13 1.51 0.11 0.00 -1.14 0.00 0.00 176.83 177.18 1t0t h ALA 223 N -0.04 0.38 0.00 3.77 0.00 -0.63 -1.57 119.26 121.17 1t0t h ALA 223 Ca -0.24 0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.42 1t0t h ALA 223 Cb 1.65 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1t0t h ALA 223 CO 0.06 -0.29 -1.93 0.54 0.00 0.00 0.00 179.25 177.63 1t0t n ARG 224 N -5.03 0.65 0.00 0.00 1.74 -0.50 -4.62 116.66 108.90 1t0t n ARG 224 Ca 0.01 0.15 0.04 0.00 -0.77 0.00 0.00 57.85 57.28 1t0t n ARG 224 Cb 0.12 -1.68 0.01 0.00 -1.02 0.00 0.00 32.46 29.88 1t0t n ARG 224 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1t0t n PHE 225 N -2.88 0.00 -3.03 -1.55 3.72 -0.70 -4.81 117.46 108.21 1t0t n PHE 225 Ca -0.21 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.79 1t0t n PHE 225 Cb 1.04 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.54 1t0t n PHE 225 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1t0t s GLY 226 N -1.03 2.50 -0.13 1.37 0.00 -0.59 0.18 107.32 109.62 1t0t s GLY 226 Ca 0.07 0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.89 1t0t s GLY 226 CO 0.17 1.26 -0.19 -0.54 0.00 0.00 0.00 173.10 173.80 1t0t s GLU 227 N 1.07 2.64 -0.01 2.90 0.41 -0.58 -4.87 118.70 120.26 1t0t s GLU 227 Ca 0.37 -0.71 0.06 0.00 -0.41 0.00 0.00 54.97 54.28 1t0t s GLU 227 Cb -0.17 -2.20 -0.03 0.00 -1.78 0.00 0.00 34.13 29.95 1t0t s GLU 227 CO 0.17 -0.06 -0.19 -0.06 -0.49 0.00 0.00 175.26 174.62 1t0t s PHE 228 N 0.96 2.54 0.00 1.61 0.08 -1.26 -0.70 117.98 121.21 1t0t s PHE 228 Ca -0.05 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.72 1t0t s PHE 228 Cb -0.15 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 1t0t s PHE 228 CO -0.03 0.15 0.00 0.41 -0.10 0.00 0.00 175.22 175.65 1t0t n GLY 229 N 2.07 0.55 3.78 4.36 0.00 -0.15 -4.99 105.19 110.82 1t0t n GLY 229 Ca -0.17 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 1t0t n GLY 229 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t0t s SER 230 N -1.00 6.03 -0.17 1.61 0.01 -1.26 -4.83 113.70 114.09 1t0t s SER 230 Ca 0.00 2.18 -0.03 0.00 1.31 0.00 0.00 55.95 59.41 1t0t s SER 230 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1t0t s SER 230 CO 0.00 -1.00 -0.06 -0.36 0.41 0.00 0.00 173.24 172.23 1t0t s PHE 231 N -1.71 2.95 -0.16 2.43 0.08 -1.26 -4.15 117.98 116.15 1t0t s PHE 231 Ca 0.68 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 57.14 1t0t s PHE 231 Cb -0.24 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 1t0t s PHE 231 CO 0.29 -0.25 -0.16 -0.06 -0.10 0.00 0.00 175.22 174.93 1t0t s PHE 232 N 0.75 2.78 0.02 0.36 0.08 -0.24 -4.98 117.98 116.75 1t0t s PHE 232 Ca -0.03 -1.19 0.06 0.00 0.12 0.00 0.00 56.93 55.90 1t0t s PHE 232 Cb -0.15 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1t0t s PHE 232 CO 0.02 -0.56 -0.19 0.14 -0.10 0.00 0.00 175.22 174.53 1t0t s VAL 233 N 0.96 1.53 0.34 -0.44 -7.23 -1.26 -0.60 120.40 113.70 1t0t s VAL 233 Ca -0.03 -1.03 -0.13 0.00 -1.81 0.00 0.00 61.98 58.99 1t0t s VAL 233 Cb -0.15 -1.32 0.03 0.00 0.56 0.00 0.00 36.38 35.50 1t0t s VAL 233 CO -0.03 0.26 0.66 -0.83 -0.31 0.00 0.00 175.10 174.86 1t0t s GLY 234 N -0.90 0.61 -0.00 2.32 0.00 -0.35 -1.59 107.32 107.40 1t0t s GLY 234 Ca 0.07 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 43.97 1t0t s GLY 234 CO 0.01 -0.49 -0.24 -0.51 0.00 0.00 0.00 173.10 171.87 1t0t s THR 235 N -2.93 1.91 0.28 0.90 -4.23 0.44 -1.81 115.64 110.20 1t0t s THR 235 Ca 0.19 -1.10 -0.30 0.00 -1.18 0.00 0.00 61.69 59.30 1t0t s THR 235 Cb -0.04 -1.60 -0.11 0.00 1.34 0.00 0.00 72.50 72.10 1t0t s THR 235 CO 0.13 0.47 1.57 -0.60 -0.54 0.00 0.00 174.62 175.65 1t0t s ARG 236 N -0.74 4.14 -0.52 3.99 3.52 0.12 -0.40 118.95 129.07 1t0t s ARG 236 Ca 0.09 2.54 -0.15 0.00 -0.13 0.00 0.00 55.73 58.08 1t0t s ARG 236 Cb -0.09 -3.04 0.12 0.00 -1.56 0.00 0.00 34.95 30.38 1t0t s ARG 236 CO -0.00 -0.60 0.46 -1.17 -0.81 0.00 0.00 175.30 173.18 1t0t s LEU 237 N -0.46 6.02 0.39 -0.88 2.96 -0.72 -4.75 118.68 121.25 1t0t s LEU 237 Ca 0.63 -1.71 -0.27 0.00 -0.22 0.00 0.00 54.13 52.56 1t0t s LEU 237 Cb -0.47 -2.18 -0.09 0.00 0.50 0.00 0.00 46.19 43.95 1t0t s LEU 237 CO 0.47 -0.80 1.30 -2.84 -1.32 0.00 0.00 176.35 173.16 1t0t s PRO 238 N 1.58 4.07 0.59 0.98 0.02 -1.26 -4.82 135.00 136.16 1t0t s PRO 238 Ca 0.03 2.16 0.37 0.00 0.02 0.00 0.00 61.00 63.59 1t0t s PRO 238 Cb -0.28 -2.83 1.76 0.00 0.02 0.00 0.00 34.50 33.17 1t0t s PRO 238 CO 0.03 -0.41 2.13 0.52 -0.33 0.00 0.00 177.00 178.95 1t0t h MET 239 N 2.85 0.00 0.00 5.54 2.86 -1.98 0.41 114.93 124.61 1t0t h MET 239 Ca -0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1t0t h MET 239 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1t0t h MET 239 CO 0.63 0.01 0.00 0.93 1.06 0.00 0.00 176.91 179.54 1t0t h GLU 240 N 0.00 0.00 -0.02 1.72 3.07 -2.04 -2.69 114.58 114.61 1t0t h GLU 240 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1t0t h GLU 240 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1t0t h GLU 240 CO 0.00 0.00 -0.08 0.09 -1.40 0.00 0.00 179.01 177.62 1t0t n ASN 241 N -3.02 2.48 -0.25 1.42 3.02 0.13 -4.62 115.26 114.41 1t0t n ASN 241 Ca -0.01 -1.74 -0.06 0.00 -0.03 0.00 0.00 54.58 52.75 1t0t n ASN 241 Cb 0.21 0.10 0.05 0.00 -0.61 0.00 0.00 39.78 39.53 1t0t n ASN 241 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1t0t h VAL 242 N 3.52 1.20 -0.53 2.41 2.07 -1.46 -1.02 116.25 122.44 1t0t h VAL 242 Ca 0.00 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1t0t h VAL 242 Cb 0.79 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1t0t h VAL 242 CO 0.00 0.21 0.18 -1.28 0.02 0.00 0.00 177.57 176.70 1t0t h SER 243 N 0.95 0.76 0.41 0.57 0.87 -1.82 -1.31 113.55 113.98 1t0t h SER 243 Ca 0.25 -0.20 -0.16 0.00 -1.23 0.00 0.00 61.79 60.45 1t0t h SER 243 Cb -0.02 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1t0t h SER 243 CO -0.05 0.75 -0.67 0.77 -0.53 0.00 0.00 176.83 177.11 1t0t h SER 244 N 0.72 0.28 -0.50 6.23 4.64 -1.84 -1.34 113.55 121.73 1t0t h SER 244 Ca 0.17 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1t0t h SER 244 Cb 0.25 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1t0t h SER 244 CO -0.01 0.86 0.25 0.15 -0.87 0.00 0.00 176.83 177.21 1t0t h PHE 245 N 0.17 0.72 -0.01 4.77 3.57 -0.68 -2.44 116.94 123.04 1t0t h PHE 245 Ca -0.02 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1t0t h PHE 245 Cb 1.20 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1t0t h PHE 245 CO 0.02 0.56 -0.06 1.19 -2.23 0.00 0.00 178.31 177.79 1t0t n PHE 246 N -4.61 0.00 -1.77 0.41 3.72 -0.54 -4.88 117.46 109.80 1t0t n PHE 246 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1t0t n PHE 246 Cb 0.11 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1t0t n PHE 246 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1t0t s HIS 247 N -2.18 1.85 0.00 1.38 2.46 -0.51 -5.07 115.29 113.23 1t0t s HIS 247 Ca 0.36 -0.10 0.00 0.00 0.47 0.00 0.00 55.06 55.78 1t0t s HIS 247 Cb 0.21 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.52 1t0t s HIS 247 CO 0.40 -4.85 0.16 1.33 -2.47 0.00 0.00 174.74 169.32