#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hco n LEU 2 N 0.00 6.77 -4.45 6.55 4.77 -1.26 -5.03 117.00 124.35 1hco n LEU 2 Ca 0.00 -4.77 -0.36 0.00 -0.03 0.00 0.00 56.01 50.84 1hco n LEU 2 Cb 0.00 -1.43 0.06 0.00 -2.33 0.00 0.00 43.42 39.73 1hco n LEU 2 CO 0.00 1.51 0.03 -1.54 -1.33 0.00 0.00 177.39 176.06 1hco n SER 3 N 3.18 -1.29 -0.07 -1.43 3.41 -1.26 -4.48 113.62 111.67 1hco n SER 3 Ca 0.40 0.60 0.06 0.00 -0.26 0.00 0.00 58.87 59.67 1hco n SER 3 Cb 0.34 -1.20 0.10 0.00 -0.26 0.00 0.00 64.21 63.20 1hco n SER 3 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1hco n PRO 4 N -0.57 -0.01 -0.04 4.33 -0.04 -1.26 0.12 135.00 137.53 1hco n PRO 4 Ca 0.10 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.85 1hco n PRO 4 Cb 0.50 -0.38 0.10 0.00 -0.04 0.00 0.00 33.50 33.67 1hco n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hco n ALA 5 N -2.66 2.44 -0.08 0.55 0.00 -1.26 -4.11 120.51 115.38 1hco n ALA 5 Ca 0.06 -0.72 -0.16 0.00 0.00 0.00 0.00 53.44 52.62 1hco n ALA 5 Cb 0.23 -0.60 -0.14 0.00 0.00 0.00 0.00 19.45 18.95 1hco n ALA 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hco n ASP 6 N 0.99 1.44 0.00 0.00 8.00 0.32 -3.45 116.55 123.85 1hco n ASP 6 Ca 0.11 0.03 0.05 0.00 0.71 0.00 0.00 54.79 55.69 1hco n ASP 6 Cb 0.45 -0.15 0.29 0.00 -0.02 0.00 0.00 41.12 41.68 1hco n ASP 6 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1hco n LYS 7 N -3.17 0.49 -0.01 -1.24 4.81 -0.72 -1.82 118.16 116.49 1hco n LYS 7 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.07 1hco n LYS 7 Cb 1.05 -1.31 -0.05 0.00 0.02 0.00 0.00 35.03 34.74 1hco n LYS 7 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1hco n THR 8 N -0.81 0.19 0.12 3.15 -1.04 -1.24 -3.84 114.28 110.80 1hco n THR 8 Ca 0.07 -0.19 0.01 0.00 -2.04 0.00 0.00 64.05 61.91 1hco n THR 8 Cb 0.03 -0.22 -0.01 0.00 -1.82 0.00 0.00 70.33 68.31 1hco n THR 8 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1hco h ASN 9 N 0.00 0.00 0.39 8.00 -0.26 -1.39 -2.77 115.58 119.56 1hco h ASN 9 Ca -0.07 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.35 1hco h ASN 9 Cb 0.79 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.02 1hco h ASN 9 CO 0.00 0.57 -1.74 0.58 -1.06 0.00 0.00 177.43 175.78 1hco h VAL 10 N 0.00 0.86 -0.07 2.81 2.07 -1.69 -0.72 116.25 119.52 1hco h VAL 10 Ca -0.03 -2.63 -0.06 0.00 0.82 0.00 0.00 66.70 64.79 1hco h VAL 10 Cb 1.45 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.73 1hco h VAL 10 CO 0.07 0.69 -0.25 0.11 0.02 0.00 0.00 177.57 178.21 1hco h LYS 11 N 0.03 0.12 0.00 1.57 1.57 -1.67 -2.55 116.57 115.65 1hco h LYS 11 Ca -0.31 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.26 1hco h LYS 11 Cb 2.01 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 34.28 1hco h LYS 11 CO 0.10 0.37 -1.58 0.00 -0.57 0.00 0.00 179.45 177.76 1hco n ALA 12 N -2.48 1.98 0.08 3.86 0.00 -1.04 -2.49 120.51 120.41 1hco n ALA 12 Ca -0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 53.44 52.77 1hco n ALA 12 Cb 0.33 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 1hco n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hco h ALA 13 N 1.44 0.57 0.05 0.00 0.00 -1.11 -2.63 119.26 117.57 1hco h ALA 13 Ca -0.19 -0.75 -0.26 0.00 0.00 0.00 0.00 54.91 53.72 1hco h ALA 13 Cb 1.60 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1hco h ALA 13 CO 0.04 0.95 -1.27 2.35 0.00 0.00 0.00 179.25 181.32 1hco h TRP 14 N 0.00 0.19 -0.06 0.00 2.91 -1.62 -3.21 115.95 114.16 1hco h TRP 14 Ca -0.05 -0.14 0.01 0.00 1.13 0.00 0.00 58.89 59.84 1hco h TRP 14 Cb 1.59 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 30.21 1hco h TRP 14 CO 0.00 1.13 -0.20 0.78 -1.03 0.00 0.00 178.44 179.13 1hco h GLY 15 N 2.54 -1.42 1.78 2.65 0.00 -1.16 -0.39 103.07 107.07 1hco h GLY 15 Ca -0.13 0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1hco h GLY 15 CO 0.14 -0.46 0.00 0.28 0.00 0.00 0.00 176.54 176.50 1hco n LYS 16 N -3.61 0.07 0.05 4.80 5.02 -1.13 -2.55 118.16 120.80 1hco n LYS 16 Ca -0.02 0.27 0.12 0.00 -2.02 0.00 0.00 58.31 56.66 1hco n LYS 16 Cb 0.14 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.86 1hco n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hco n VAL 17 N -1.39 0.27 0.00 -0.18 0.31 -0.19 -4.88 118.33 112.27 1hco n VAL 17 Ca 0.03 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1hco n VAL 17 Cb 0.09 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1hco n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hco n GLY 18 N 1.38 0.00 0.00 2.92 0.00 -1.03 -1.98 105.19 106.48 1hco n GLY 18 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1hco n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hco n ALA 19 N 0.00 0.00 0.28 4.61 0.00 -1.26 0.12 120.51 124.26 1hco n ALA 19 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1hco n ALA 19 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1hco n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hco n HIS 20 N -0.08 0.00 -0.49 0.00 -0.00 -0.84 -4.69 115.22 109.11 1hco n HIS 20 Ca 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 57.72 58.09 1hco n HIS 20 Cb 0.04 -0.21 0.58 0.00 -0.00 0.00 0.00 29.99 30.40 1hco n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1hco n ALA 21 N -1.75 1.32 0.14 -1.41 0.00 0.32 0.09 120.51 119.22 1hco n ALA 21 Ca -0.01 0.49 0.07 0.00 0.00 0.00 0.00 53.44 53.99 1hco n ALA 21 Cb 0.33 -0.81 0.05 0.00 0.00 0.00 0.00 19.45 19.01 1hco n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1hco h GLY 22 N 0.00 0.00 1.22 0.00 0.00 -1.83 -1.80 103.07 100.66 1hco h GLY 22 Ca 0.67 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.71 1hco h GLY 22 CO -0.05 0.00 -1.54 0.83 0.00 0.00 0.00 176.54 175.78 1hco h GLU 23 N 0.00 0.15 -0.29 4.80 5.08 -0.69 -3.31 114.58 120.32 1hco h GLU 23 Ca -0.03 -0.26 -0.18 0.00 -1.00 0.00 0.00 59.36 57.89 1hco h GLU 23 Cb 1.21 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1hco h GLU 23 CO 0.03 0.95 -0.52 1.88 -1.00 0.00 0.00 179.01 180.35 1hco h TYR 24 N 0.04 1.09 0.00 4.33 0.99 -1.41 -2.21 116.97 119.80 1hco h TYR 24 Ca -0.24 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.11 1hco h TYR 24 Cb 1.98 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 39.51 1hco h TYR 24 CO 0.04 1.21 0.00 0.41 -0.00 0.00 0.00 178.16 179.82 1hco n GLY 25 N 0.35 -1.19 0.00 3.88 0.00 -0.68 -2.06 105.19 105.50 1hco n GLY 25 Ca -0.04 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1hco n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hco n ALA 26 N -1.58 3.63 0.04 4.61 0.00 -1.19 -3.80 120.51 122.23 1hco n ALA 26 Ca 0.04 -0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.02 1hco n ALA 26 Cb 0.23 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 1hco n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1hco h GLU 27 N 0.00 0.00 -0.00 0.00 4.81 -0.98 -3.09 114.58 115.32 1hco h GLU 27 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hco h GLU 27 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1hco h GLU 27 CO 0.00 0.66 -0.16 0.00 -0.73 0.00 0.00 179.01 178.78 1hco n ALA 28 N -2.41 2.83 -0.08 2.92 0.00 -0.87 -2.08 120.51 120.82 1hco n ALA 28 Ca -0.07 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.00 1hco n ALA 28 Cb 0.93 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1hco n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hco n LEU 29 N -1.05 1.83 -0.34 0.00 4.77 -1.24 -3.20 117.00 117.78 1hco n LEU 29 Ca 0.12 0.56 0.15 0.00 -0.03 0.00 0.00 56.01 56.81 1hco n LEU 29 Cb 0.30 -0.89 0.30 0.00 -2.33 0.00 0.00 43.42 40.80 1hco n LEU 29 CO 0.26 -0.23 0.81 -0.08 -1.33 0.00 0.00 177.39 176.81 1hco h GLU 30 N -1.00 0.01 0.00 3.23 4.81 -1.57 0.44 114.58 120.50 1hco h GLU 30 Ca -0.11 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 1hco h GLU 30 Cb 0.78 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1hco h GLU 30 CO -0.07 0.00 -0.45 0.00 -0.73 0.00 0.00 179.01 177.76 1hco h ARG 31 N 0.01 0.00 0.14 1.92 3.08 -1.54 -0.97 114.38 117.02 1hco h ARG 31 Ca 0.61 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.36 1hco h ARG 31 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1hco h ARG 31 CO -0.93 0.45 -1.44 1.98 -1.07 0.00 0.00 179.97 178.97 1hco h MET 32 N 0.00 0.30 -0.36 0.04 4.05 -0.29 -2.12 114.93 116.54 1hco h MET 32 Ca -0.00 -0.51 -0.11 0.00 -0.28 0.00 0.00 59.70 58.80 1hco h MET 32 Cb 0.85 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 1hco h MET 32 CO 0.06 1.20 -0.22 0.74 0.23 0.00 0.00 176.91 178.91 1hco h PHE 33 N 0.08 0.80 0.01 1.39 0.04 -0.34 -2.16 116.94 116.77 1hco h PHE 33 Ca -0.21 -0.18 -0.00 0.00 2.80 0.00 0.00 57.97 60.38 1hco h PHE 33 Cb 2.02 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.98 1hco h PHE 33 CO 0.07 0.87 -0.00 1.25 -0.60 0.00 0.00 178.31 179.90 1hco h LEU 34 N 0.62 -0.01 -0.21 1.54 5.85 -1.23 -3.35 115.31 118.53 1hco h LEU 34 Ca 0.09 -0.78 -0.22 0.00 0.84 0.00 0.00 57.88 57.81 1hco h LEU 34 Cb 0.71 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1hco h LEU 34 CO 0.05 0.79 -0.92 0.28 -0.34 0.00 0.00 178.44 178.30 1hco h SER 35 N -0.82 0.45 -3.78 1.25 0.02 -1.45 -3.38 113.55 105.84 1hco h SER 35 Ca -0.00 -0.36 -0.63 0.00 -0.84 0.00 0.00 61.79 59.96 1hco h SER 35 Cb 0.79 -0.14 -0.41 0.00 0.14 0.00 0.00 62.40 62.78 1hco h SER 35 CO 0.00 1.16 -0.64 -0.36 -1.14 0.00 0.00 176.83 175.86 1hco s PHE 36 N -3.25 3.06 0.60 3.45 0.40 -0.81 -4.94 117.98 116.49 1hco s PHE 36 Ca -0.05 -3.09 0.31 0.00 -0.60 0.00 0.00 56.93 53.50 1hco s PHE 36 Cb 0.09 -2.58 1.87 0.00 0.51 0.00 0.00 43.02 42.90 1hco s PHE 36 CO 0.86 -0.69 2.24 -1.00 0.70 0.00 0.00 175.22 177.32 1hco h PRO 37 N 6.15 0.00 0.00 0.24 0.13 -1.74 -3.02 132.00 133.76 1hco h PRO 37 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1hco h PRO 37 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1hco h PRO 37 CO 0.66 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 176.06 1hco n THR 38 N -3.72 0.00 0.76 1.56 5.66 -1.26 -1.73 114.28 115.55 1hco n THR 38 Ca -0.02 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.07 1hco n THR 38 Cb 0.13 -0.89 -0.12 0.00 -1.55 0.00 0.00 70.33 67.90 1hco n THR 38 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1hco n THR 39 N -0.97 0.00 -0.12 1.09 -2.24 -1.14 -4.20 114.28 106.69 1hco n THR 39 Ca 0.04 -0.11 0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1hco n THR 39 Cb 0.02 0.84 0.36 0.00 -2.10 0.00 0.00 70.33 69.44 1hco n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1hco h LYS 40 N 0.00 0.72 -1.25 -0.78 1.57 -1.57 -2.73 116.57 112.52 1hco h LYS 40 Ca 0.00 -0.04 0.40 0.00 -1.87 0.00 0.00 60.65 59.14 1hco h LYS 40 Cb 0.54 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.60 1hco h LYS 40 CO 0.00 0.48 0.85 2.41 -0.57 0.00 0.00 179.45 182.62 1hco n THR 41 N -4.46 -0.12 0.18 -0.16 -1.04 -1.26 -0.89 114.28 106.52 1hco n THR 41 Ca 0.07 1.30 0.12 0.00 -2.04 0.00 0.00 64.05 63.50 1hco n THR 41 Cb 0.12 -2.14 0.03 0.00 -1.82 0.00 0.00 70.33 66.51 1hco n THR 41 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1hco h TYR 42 N 0.00 0.00 -2.31 -1.42 0.05 -1.81 -3.38 116.97 108.10 1hco h TYR 42 Ca 0.70 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.84 1hco h TYR 42 Cb 2.49 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 39.84 1hco h TYR 42 CO -0.00 0.00 -0.26 1.19 -1.05 0.00 0.00 178.16 178.04 1hco n PHE 43 N -2.61 3.61 0.45 4.88 3.01 -0.07 -4.75 117.46 121.99 1hco n PHE 43 Ca 0.01 -3.71 0.13 0.00 1.01 0.00 0.00 57.45 54.88 1hco n PHE 43 Cb 0.53 -0.68 0.46 0.00 -0.01 0.00 0.00 39.48 39.79 1hco n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1hco h PRO 44 N 3.69 0.00 -0.53 -1.08 0.11 -1.76 -2.93 132.00 129.50 1hco h PRO 44 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1hco h PRO 44 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1hco h PRO 44 CO 0.92 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.32 1hco n HIS 45 N -2.41 1.42 -4.18 0.65 1.44 -1.26 -4.95 115.22 105.93 1hco n HIS 45 Ca 0.03 -0.68 -0.23 0.00 -2.01 0.00 0.00 57.72 54.84 1hco n HIS 45 Cb 0.33 -0.30 -0.06 0.00 0.12 0.00 0.00 29.99 30.08 1hco n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hco s PHE 46 N -2.15 2.75 -0.22 -1.40 2.99 -1.11 -5.06 117.98 113.78 1hco s PHE 46 Ca 0.48 -0.28 -0.06 0.00 0.00 0.00 0.00 56.93 57.07 1hco s PHE 46 Cb 0.33 -1.42 -0.02 0.00 0.00 0.00 0.00 43.02 41.91 1hco s PHE 46 CO 0.19 0.48 0.01 0.34 -0.00 0.00 0.00 175.22 176.25 1hco s ASP 47 N -3.77 4.80 -0.54 1.36 3.68 -1.26 -4.81 116.67 116.12 1hco s ASP 47 Ca 0.34 -0.25 0.01 0.00 2.13 0.00 0.00 52.55 54.79 1hco s ASP 47 Cb -0.05 -1.84 0.56 0.00 -1.45 0.00 0.00 42.92 40.15 1hco s ASP 47 CO 0.22 0.01 1.95 0.18 0.13 0.00 0.00 175.17 177.66 1hco n LEU 48 N 4.60 7.10 -4.88 -1.34 4.32 -1.26 -4.59 117.00 120.95 1hco n LEU 48 Ca -0.17 -3.94 -0.31 0.00 -0.02 0.00 0.00 56.01 51.56 1hco n LEU 48 Cb 0.51 -0.89 -0.05 0.00 -1.62 0.00 0.00 43.42 41.37 1hco n LEU 48 CO 0.31 1.26 0.23 -0.55 -1.22 0.00 0.00 177.39 177.42 1hco s SER 49 N -1.61 6.59 0.43 -1.43 0.15 -1.26 -5.00 113.70 111.57 1hco s SER 49 Ca 0.60 0.90 0.17 0.00 0.70 0.00 0.00 55.95 58.33 1hco s SER 49 Cb 0.49 -2.22 0.93 0.00 -1.71 0.00 0.00 66.02 63.51 1hco s SER 49 CO 0.05 -0.11 1.45 -0.74 1.20 0.00 0.00 173.24 175.09 1hco h HIS 50 N 2.33 0.00 0.00 3.44 2.76 -2.01 -2.57 115.15 119.10 1hco h HIS 50 Ca -0.47 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.67 1hco h HIS 50 Cb 1.17 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 1hco h HIS 50 CO 0.61 0.00 -1.13 0.41 -1.30 0.00 0.00 177.93 176.51 1hco n GLY 51 N -1.27 -0.10 0.00 5.26 0.00 -1.26 -5.06 105.19 102.76 1hco n GLY 51 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1hco n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hco n SER 52 N -1.96 0.00 0.08 1.61 2.88 -0.97 -4.72 113.62 110.53 1hco n SER 52 Ca -0.03 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.64 1hco n SER 52 Cb 0.45 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.23 1hco n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hco n ALA 53 N 0.00 2.57 0.12 -1.46 0.00 -1.26 -2.73 120.51 117.74 1hco n ALA 53 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 1hco n ALA 53 Cb 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.96 1hco n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1hco h GLN 54 N 0.00 0.55 0.00 0.00 4.20 -1.87 0.88 115.11 118.88 1hco h GLN 54 Ca 0.00 -0.83 -0.18 0.00 0.06 0.00 0.00 58.65 57.70 1hco h GLN 54 Cb 0.72 0.29 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 1hco h GLN 54 CO 0.00 1.38 -0.83 0.28 -0.67 0.00 0.00 178.83 178.99 1hco h VAL 55 N 0.20 1.53 -0.15 -0.54 2.07 -1.81 -0.72 116.25 116.83 1hco h VAL 55 Ca -0.21 -2.67 -0.20 0.00 0.82 0.00 0.00 66.70 64.44 1hco h VAL 55 Cb 2.02 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 1hco h VAL 55 CO 0.25 0.77 -0.70 0.50 0.02 0.00 0.00 177.57 178.41 1hco h LYS 56 N 0.05 0.65 0.00 1.57 3.64 -1.53 -2.39 116.57 118.56 1hco h LYS 56 Ca -0.02 -0.50 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 1hco h LYS 56 Cb 1.45 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1hco h LYS 56 CO 0.12 1.12 -0.15 0.78 -2.27 0.00 0.00 179.45 179.05 1hco h GLY 57 N 0.87 0.00 0.79 5.01 0.00 -0.58 -3.11 103.07 106.05 1hco h GLY 57 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1hco h GLY 57 CO 0.14 0.00 -1.02 1.57 0.00 0.00 0.00 176.54 177.23 1hco n HIS 58 N -3.24 0.52 -0.05 5.60 -0.00 -0.30 -3.73 115.22 114.03 1hco n HIS 58 Ca 0.01 0.15 -0.12 0.00 0.46 0.00 0.00 57.72 58.22 1hco n HIS 58 Cb 0.43 -0.65 -0.06 0.00 -0.12 0.00 0.00 29.99 29.59 1hco n HIS 58 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1hco h GLY 59 N 4.32 0.29 0.19 1.57 0.00 -1.36 -0.42 103.07 107.66 1hco h GLY 59 Ca 0.00 -0.22 0.21 0.00 0.00 0.00 0.00 47.33 47.32 1hco h GLY 59 CO 0.00 0.20 0.62 0.50 0.00 0.00 0.00 176.54 177.86 1hco h LYS 60 N -0.00 0.48 0.05 4.80 1.57 -1.64 0.31 116.57 122.14 1hco h LYS 60 Ca 0.04 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.57 1hco h LYS 60 Cb 0.39 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1hco h LYS 60 CO 0.01 0.32 -1.03 0.87 -0.57 0.00 0.00 179.45 179.04 1hco h LYS 61 N 0.49 0.18 0.13 3.15 1.57 -1.41 -2.01 116.57 118.67 1hco h LYS 61 Ca 0.52 -0.25 -0.29 0.00 -1.87 0.00 0.00 60.65 58.75 1hco h LYS 61 Cb 1.16 0.09 0.02 0.00 0.08 0.00 0.00 32.23 33.58 1hco h LYS 61 CO -0.24 1.06 -1.25 0.28 -0.57 0.00 0.00 179.45 178.73 1hco h VAL 62 N 0.07 1.34 0.00 0.50 2.07 -0.30 -2.91 116.25 117.02 1hco h VAL 62 Ca -0.07 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.83 1hco h VAL 62 Cb 1.73 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 34.27 1hco h VAL 62 CO 0.16 0.79 0.00 0.00 0.02 0.00 0.00 177.57 178.53 1hco n ALA 63 N -2.64 1.94 -0.03 1.67 0.00 0.10 -1.90 120.51 119.65 1hco n ALA 63 Ca -0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 1hco n ALA 63 Cb 1.00 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.93 1hco n ALA 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hco n ASP 64 N -1.83 0.74 0.10 0.00 9.92 -0.76 -3.50 116.55 121.23 1hco n ASP 64 Ca 0.04 0.35 0.12 0.00 -0.53 0.00 0.00 54.79 54.78 1hco n ASP 64 Cb 0.28 0.10 0.17 0.00 -0.64 0.00 0.00 41.12 41.02 1hco n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hco h ALA 65 N 1.01 0.69 0.01 2.24 0.00 -1.38 -3.11 119.26 118.73 1hco h ALA 65 Ca -0.32 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1hco h ALA 65 Cb 2.04 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.84 1hco h ALA 65 CO 0.07 0.00 -0.38 -0.07 0.00 0.00 0.00 179.25 178.87 1hco h LEU 66 N 0.00 0.31 -1.73 0.00 3.38 -1.50 -3.13 115.31 112.64 1hco h LEU 66 Ca 0.00 -0.80 -0.04 0.00 0.09 0.00 0.00 57.88 57.13 1hco h LEU 66 Cb 0.85 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1hco h LEU 66 CO 0.00 1.08 -0.17 0.74 0.09 0.00 0.00 178.44 180.17 1hco h THR 67 N -0.41 0.92 0.00 0.22 2.02 -1.62 -0.21 112.91 113.82 1hco h THR 67 Ca -0.05 -0.63 -0.12 0.00 0.77 0.00 0.00 66.41 66.38 1hco h THR 67 Cb 1.14 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1hco h THR 67 CO 0.07 0.17 -0.55 -1.13 0.37 0.00 0.00 175.52 174.45 1hco h ASN 68 N 0.00 0.00 0.10 4.18 -0.00 -1.61 -0.80 115.58 117.46 1hco h ASN 68 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.30 56.05 1hco h ASN 68 Cb 0.35 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.68 1hco h ASN 68 CO 0.02 0.55 -1.01 0.00 -0.00 0.00 0.00 177.43 177.00 1hco h ALA 69 N 1.45 0.21 0.00 1.57 0.00 -1.29 -2.98 119.26 118.22 1hco h ALA 69 Ca -0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 1hco h ALA 69 Cb 1.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1hco h ALA 69 CO 0.07 0.73 -0.34 0.28 0.00 0.00 0.00 179.25 179.99 1hco h VAL 70 N 0.35 1.12 -3.34 0.00 2.07 -0.84 -1.23 116.25 114.37 1hco h VAL 70 Ca -0.11 -1.20 -0.66 0.00 0.82 0.00 0.00 66.70 65.55 1hco h VAL 70 Cb 1.65 1.67 -0.28 0.00 -1.52 0.00 0.00 31.29 32.82 1hco h VAL 70 CO 0.19 0.33 -0.74 0.00 0.02 0.00 0.00 177.57 177.37 1hco s ALA 71 N -4.12 2.73 0.00 1.67 0.00 -0.32 -3.99 121.76 117.73 1hco s ALA 71 Ca -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1hco s ALA 71 Cb 0.14 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1hco s ALA 71 CO 0.70 -0.16 0.00 0.72 0.00 0.00 0.00 175.76 177.03 1hco n HIS 72 N 4.27 0.00 0.15 0.00 -0.00 -1.22 -4.33 115.22 114.10 1hco n HIS 72 Ca -0.18 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1hco n HIS 72 Cb 0.51 0.00 0.47 0.00 -0.00 0.00 0.00 29.99 30.97 1hco n HIS 72 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1hco n VAL 73 N -2.20 1.21 0.61 1.59 3.14 -0.46 -0.90 118.33 121.32 1hco n VAL 73 Ca 0.00 0.65 0.06 0.00 -2.96 0.00 0.00 64.34 62.09 1hco n VAL 73 Cb 0.00 -1.64 0.18 0.00 -1.06 0.00 0.00 33.84 31.32 1hco n VAL 73 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1hco n ASP 74 N -2.10 2.36 -2.68 6.55 10.43 -1.26 -4.30 116.55 125.56 1hco n ASP 74 Ca -0.01 -2.10 -0.04 0.00 2.57 0.00 0.00 54.79 55.21 1hco n ASP 74 Cb 0.04 -0.33 0.05 0.00 1.84 0.00 0.00 41.12 42.72 1hco n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1hco n ASP 75 N 0.56 -1.55 -0.03 -2.24 -0.08 -0.08 -5.02 116.55 108.11 1hco n ASP 75 Ca 0.13 -1.48 -0.16 0.00 -1.51 0.00 0.00 54.79 51.78 1hco n ASP 75 Cb 0.41 0.82 -0.08 0.00 2.34 0.00 0.00 41.12 44.61 1hco n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1hco h MET 76 N 3.80 0.55 0.00 -0.67 2.86 -1.73 -3.33 114.93 116.41 1hco h MET 76 Ca -0.10 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 1hco h MET 76 Cb 1.17 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1hco h MET 76 CO -0.12 1.05 0.00 -2.30 1.06 0.00 0.00 176.91 176.60 1hco n PRO 77 N -4.23 0.00 -0.29 -0.22 -0.02 -1.26 -1.68 135.00 127.30 1hco n PRO 77 Ca -0.08 0.06 0.21 0.00 -2.02 0.00 0.00 63.50 61.68 1hco n PRO 77 Cb 0.59 -0.28 0.40 0.00 -0.02 0.00 0.00 33.50 34.18 1hco n PRO 77 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1hco n ASN 78 N -0.20 0.12 0.07 2.55 5.15 -1.26 -2.64 115.26 119.06 1hco n ASN 78 Ca 0.00 1.48 -0.21 0.00 -0.60 0.00 0.00 54.58 55.24 1hco n ASN 78 Cb 0.00 -0.64 -0.12 0.00 -0.53 0.00 0.00 39.78 38.49 1hco n ASN 78 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hco h ALA 79 N 1.76 0.02 -0.26 5.20 0.00 -1.43 -3.31 119.26 121.25 1hco h ALA 79 Ca 0.65 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1hco h ALA 79 Cb 1.57 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1hco h ALA 79 CO -0.75 0.65 0.00 1.28 0.00 0.00 0.00 179.25 180.43 1hco n LEU 80 N -3.85 1.49 -0.33 0.00 4.77 -0.70 -4.67 117.00 113.70 1hco n LEU 80 Ca -0.13 -0.72 -0.06 0.00 -0.03 0.00 0.00 56.01 55.07 1hco n LEU 80 Cb 0.93 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 1hco n LEU 80 CO 0.57 0.36 0.56 0.28 -1.33 0.00 0.00 177.39 177.83 1hco h SER 81 N 1.67 -1.60 0.23 -1.43 0.02 -1.61 -2.14 113.55 108.69 1hco h SER 81 Ca 0.00 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1hco h SER 81 Cb 0.38 0.77 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1hco h SER 81 CO 0.00 -0.29 0.00 0.00 -1.14 0.00 0.00 176.83 175.40 1hco n ALA 82 N -3.31 2.11 0.62 3.77 0.00 -1.26 -0.42 120.51 122.02 1hco n ALA 82 Ca 0.06 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1hco n ALA 82 Cb 0.35 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 1hco n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hco n LEU 83 N -1.18 0.62 -1.78 0.00 7.99 -0.91 -3.22 117.00 118.53 1hco n LEU 83 Ca 0.11 -0.42 -0.18 0.00 -0.01 0.00 0.00 56.01 55.51 1hco n LEU 83 Cb 0.12 0.00 0.14 0.00 -0.11 0.00 0.00 43.42 43.57 1hco n LEU 83 CO 0.14 0.15 0.87 -0.24 -1.51 0.00 0.00 177.39 176.80 1hco n SER 84 N -1.48 4.31 0.00 -1.43 2.88 0.44 -2.71 113.62 115.64 1hco n SER 84 Ca 0.02 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.80 1hco n SER 84 Cb 0.27 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1hco n SER 84 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1hco n ASP 85 N -1.01 0.00 0.14 -3.46 -0.08 -1.14 -4.60 116.55 106.40 1hco n ASP 85 Ca 0.47 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.61 1hco n ASP 85 Cb 1.05 0.03 -0.08 0.00 2.34 0.00 0.00 41.12 44.46 1hco n ASP 85 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1hco h LEU 86 N 0.00 -0.31 -0.92 -2.67 5.85 -1.70 3.33 115.31 118.90 1hco h LEU 86 Ca 0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1hco h LEU 86 Cb 0.00 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1hco h LEU 86 CO 0.00 0.02 0.54 0.45 -0.34 0.00 0.00 178.44 179.12 1hco h HIS 87 N -0.66 1.22 0.00 1.25 3.86 -1.78 0.16 115.15 119.18 1hco h HIS 87 Ca -0.04 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1hco h HIS 87 Cb 0.47 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1hco h HIS 87 CO 0.02 0.81 -1.67 0.00 0.86 0.00 0.00 177.93 177.95 1hco n ALA 88 N -2.39 3.39 -0.01 2.45 0.00 -1.17 -2.11 120.51 120.67 1hco n ALA 88 Ca 0.10 -0.54 -0.02 0.00 0.00 0.00 0.00 53.44 52.99 1hco n ALA 88 Cb 0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 1hco n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hco n HIS 89 N -2.04 0.00 -0.03 0.00 -0.00 1.10 -4.43 115.22 109.82 1hco n HIS 89 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.69 1hco n HIS 89 Cb 0.50 -0.08 0.26 0.00 -0.00 0.00 0.00 29.99 30.66 1hco n HIS 89 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1hco h LYS 90 N -0.17 0.60 0.00 -0.41 3.64 -0.94 -3.37 116.57 115.91 1hco h LYS 90 Ca 0.00 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1hco h LYS 90 Cb 0.17 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1hco h LYS 90 CO 0.00 0.61 -1.57 1.28 -2.27 0.00 0.00 179.45 177.51 1hco n LEU 91 N -4.27 0.00 -3.38 5.20 4.77 0.52 -5.04 117.00 114.81 1hco n LEU 91 Ca 0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1hco n LEU 91 Cb 0.25 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1hco n LEU 91 CO 0.39 0.04 0.06 0.54 -1.33 0.00 0.00 177.39 177.10 1hco n ARG 92 N -1.99 -1.49 -3.21 3.23 5.12 -0.90 -4.95 116.66 112.47 1hco n ARG 92 Ca -0.05 1.21 -0.39 0.00 -1.93 0.00 0.00 57.85 56.70 1hco n ARG 92 Cb 0.39 -4.16 -0.06 0.00 -1.16 0.00 0.00 32.46 27.48 1hco n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1hco s VAL 93 N -2.92 4.99 0.10 1.55 1.01 -1.03 -4.99 120.40 119.10 1hco s VAL 93 Ca 0.03 1.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 1hco s VAL 93 Cb -0.00 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1hco s VAL 93 CO 0.82 0.38 1.49 -0.62 0.00 0.00 0.00 175.10 177.16 1hco s ASP 94 N 0.09 6.73 0.00 3.32 -1.08 -1.26 -4.84 116.67 119.63 1hco s ASP 94 Ca 0.31 2.39 0.04 0.00 -0.52 0.00 0.00 52.55 54.77 1hco s ASP 94 Cb -0.17 -2.58 0.22 0.00 -1.46 0.00 0.00 42.92 38.93 1hco s ASP 94 CO 0.16 -0.75 0.92 -0.81 0.52 0.00 0.00 175.17 175.20 1hco n PRO 95 N 4.55 0.07 0.10 4.34 -0.04 -1.26 -1.04 135.00 141.73 1hco n PRO 95 Ca 0.13 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 1hco n PRO 95 Cb 0.41 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.77 1hco n PRO 95 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1hco n VAL 96 N -1.23 0.57 0.74 0.52 3.14 -1.26 -3.04 118.33 117.77 1hco n VAL 96 Ca 0.02 -0.28 0.12 0.00 -2.96 0.00 0.00 64.34 61.25 1hco n VAL 96 Cb 0.03 -0.56 0.49 0.00 -1.06 0.00 0.00 33.84 32.74 1hco n VAL 96 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1hco n ASN 97 N -2.24 0.33 0.01 6.55 5.03 -0.20 -2.84 115.26 121.90 1hco n ASN 97 Ca 0.05 0.54 -0.08 0.00 0.87 0.00 0.00 54.58 55.96 1hco n ASN 97 Cb 0.43 -0.63 -0.13 0.00 -1.02 0.00 0.00 39.78 38.43 1hco n ASN 97 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1hco h PHE 98 N 0.00 0.01 -0.38 3.10 0.04 -1.74 -3.16 116.94 114.81 1hco h PHE 98 Ca 0.00 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1hco h PHE 98 Cb 0.53 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 1hco h PHE 98 CO 0.00 1.01 0.22 0.87 -0.60 0.00 0.00 178.31 179.81 1hco h LYS 99 N 0.00 0.53 0.00 1.51 1.57 -1.66 -0.88 116.57 117.64 1hco h LYS 99 Ca -0.20 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1hco h LYS 99 Cb 1.94 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 34.14 1hco h LYS 99 CO 0.10 0.41 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.18 1hco h LEU 100 N 0.50 0.00 0.07 2.94 3.38 -1.61 -1.71 115.31 118.88 1hco h LEU 100 Ca 0.14 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 1hco h LEU 100 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1hco h LEU 100 CO -0.02 0.14 -1.14 0.25 0.09 0.00 0.00 178.44 177.76 1hco h LEU 101 N 0.00 0.24 -0.96 1.67 5.85 -1.52 -2.80 115.31 117.79 1hco h LEU 101 Ca -0.00 -0.80 0.29 0.00 0.84 0.00 0.00 57.88 58.20 1hco h LEU 101 Cb 0.75 -0.08 -0.17 0.00 0.37 0.00 0.00 40.66 41.53 1hco h LEU 101 CO 0.02 1.49 0.16 0.28 -0.34 0.00 0.00 178.44 180.04 1hco h SER 102 N -0.56 -0.24 0.98 1.25 0.02 -1.06 0.32 113.55 114.26 1hco h SER 102 Ca -0.26 0.26 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1hco h SER 102 Cb 1.54 0.40 -0.02 0.00 0.14 0.00 0.00 62.40 64.46 1hco h SER 102 CO -0.01 -0.32 -0.68 -0.74 -1.14 0.00 0.00 176.83 173.94 1hco h HIS 103 N 0.05 0.00 0.00 3.45 -0.00 -1.29 -3.01 115.15 114.36 1hco h HIS 103 Ca 0.63 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.78 1hco h HIS 103 Cb 1.36 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.75 1hco h HIS 103 CO -0.37 0.68 -1.02 0.00 -0.00 0.00 0.00 177.93 177.22 1hco h LEU 105 N 0.00 0.94 -0.01 0.00 5.85 -0.48 -1.95 115.31 119.67 1hco h LEU 105 Ca -0.02 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1hco h LEU 105 Cb 1.78 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 1hco h LEU 105 CO 0.13 0.87 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.89 1hco h LEU 106 N 0.98 0.00 -0.01 2.25 3.38 -1.44 -1.93 115.31 118.55 1hco h LEU 106 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1hco h LEU 106 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1hco h LEU 106 CO -0.01 0.14 -0.03 0.52 0.09 0.00 0.00 178.44 179.14 1hco n VAL 107 N -3.14 0.00 -0.10 1.22 0.31 -0.90 -1.84 118.33 113.88 1hco n VAL 107 Ca 0.03 -0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 1hco n VAL 107 Cb 0.59 -0.44 -0.15 0.00 -0.91 0.00 0.00 33.84 32.92 1hco n VAL 107 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1hco n THR 108 N -1.44 1.37 0.23 2.52 -1.04 -0.78 -2.81 114.28 112.33 1hco n THR 108 Ca 0.08 -0.81 -0.10 0.00 -2.04 0.00 0.00 64.05 61.19 1hco n THR 108 Cb 0.32 -0.58 -0.05 0.00 -1.82 0.00 0.00 70.33 68.20 1hco n THR 108 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1hco h LEU 109 N 0.00 -0.53 -0.68 -4.42 -0.00 -1.36 -2.89 115.31 105.43 1hco h LEU 109 Ca -0.54 0.02 0.11 0.00 -0.00 0.00 0.00 57.88 57.47 1hco h LEU 109 Cb 2.18 0.14 -0.11 0.00 -0.00 0.00 0.00 40.66 42.86 1hco h LEU 109 CO 0.02 -0.20 -0.24 0.00 -0.00 0.00 0.00 178.44 178.02 1hco n ALA 110 N -2.60 -0.02 1.35 1.53 0.00 -0.77 0.25 120.51 120.24 1hco n ALA 110 Ca -0.08 0.69 0.14 0.00 0.00 0.00 0.00 53.44 54.19 1hco n ALA 110 Cb 0.25 -0.34 0.71 0.00 0.00 0.00 0.00 19.45 20.07 1hco n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hco n ALA 111 N -3.67 2.39 0.00 0.00 0.00 -1.12 -3.38 120.51 114.73 1hco n ALA 111 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1hco n ALA 111 Cb 0.29 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1hco n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hco n HIS 112 N -1.27 0.00 -2.88 0.00 -0.00 -0.17 -4.90 115.22 106.01 1hco n HIS 112 Ca 0.14 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.66 1hco n HIS 112 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.19 1hco n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hco n LEU 113 N -1.21 2.56 -0.16 2.41 4.77 0.14 -5.03 117.00 120.48 1hco n LEU 113 Ca 0.00 -4.90 0.29 0.00 -0.03 0.00 0.00 56.01 51.37 1hco n LEU 113 Cb 0.00 0.13 0.71 0.00 -2.33 0.00 0.00 43.42 41.93 1hco n LEU 113 CO 0.00 2.12 1.27 1.55 -1.33 0.00 0.00 177.39 181.00 1hco h PRO 114 N 2.92 0.00 0.00 3.23 0.13 -1.81 -2.50 132.00 133.97 1hco h PRO 114 Ca 0.09 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.95 1hco h PRO 114 Cb 0.90 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.97 1hco h PRO 114 CO 0.64 0.00 -1.95 0.00 -0.23 0.00 0.00 178.00 176.46 1hco n ALA 115 N -2.56 1.67 0.16 -0.56 0.00 -1.26 -4.06 120.51 113.90 1hco n ALA 115 Ca 0.19 -0.94 0.12 0.00 0.00 0.00 0.00 53.44 52.81 1hco n ALA 115 Cb 1.06 -0.59 0.06 0.00 0.00 0.00 0.00 19.45 19.98 1hco n ALA 115 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1hco h GLU 116 N 0.00 0.00 -2.91 0.00 5.08 -2.00 -3.38 114.58 111.37 1hco h GLU 116 Ca -0.35 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.31 1hco h GLU 116 Cb 1.96 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.17 1hco h GLU 116 CO 0.05 0.00 3.28 0.34 -1.00 0.00 0.00 179.01 181.67 1hco n PHE 117 N -2.79 2.53 -1.89 4.33 7.35 -0.94 -4.81 117.46 121.25 1hco n PHE 117 Ca 0.01 -2.99 -0.29 0.00 -0.76 0.00 0.00 57.45 53.42 1hco n PHE 117 Cb 0.54 -2.25 0.07 0.00 0.35 0.00 0.00 39.48 38.19 1hco n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hco s THR 118 N 0.96 2.67 0.48 -2.13 -4.23 -1.26 -4.80 115.64 107.33 1hco s THR 118 Ca 0.63 0.22 0.14 0.00 -1.18 0.00 0.00 61.69 61.50 1hco s THR 118 Cb 0.18 -3.21 0.28 0.00 1.34 0.00 0.00 72.50 71.09 1hco s THR 118 CO -0.07 -0.28 2.10 -0.65 -0.54 0.00 0.00 174.62 175.17 1hco h PRO 119 N -0.89 0.18 -0.10 3.99 0.11 -1.98 0.31 132.00 133.61 1hco h PRO 119 Ca -0.46 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.46 1hco h PRO 119 Cb 1.30 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1hco h PRO 119 CO 0.65 0.12 -0.71 0.00 -0.21 0.00 0.00 178.00 177.84 1hco h ALA 120 N 1.89 0.56 0.00 -0.75 0.00 -1.96 -2.82 119.26 116.17 1hco h ALA 120 Ca 0.08 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1hco h ALA 120 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1hco h ALA 120 CO -0.01 0.74 -0.39 0.28 0.00 0.00 0.00 179.25 179.86 1hco h VAL 121 N 0.34 0.73 0.00 0.00 2.07 -1.67 -2.50 116.25 115.22 1hco h VAL 121 Ca -0.03 -1.84 -0.03 0.00 0.82 0.00 0.00 66.70 65.62 1hco h VAL 121 Cb 1.29 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1hco h VAL 121 CO 0.13 0.39 -0.15 -0.74 0.02 0.00 0.00 177.57 177.22 1hco h HIS 122 N 0.00 0.00 0.09 1.57 6.17 -0.83 -1.91 115.15 120.25 1hco h HIS 122 Ca -0.00 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.77 1hco h HIS 122 Cb 1.19 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.10 1hco h HIS 122 CO 0.00 0.15 -1.61 0.00 0.71 0.00 0.00 177.93 177.18 1hco h ALA 123 N 1.85 0.39 -0.06 5.26 0.00 -1.24 -3.16 119.26 122.29 1hco h ALA 123 Ca -0.00 -1.21 -0.20 0.00 0.00 0.00 0.00 54.91 53.50 1hco h ALA 123 Cb 0.75 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1hco h ALA 123 CO 0.02 1.25 -0.81 0.77 0.00 0.00 0.00 179.25 180.47 1hco h SER 124 N 0.05 0.57 -0.12 0.00 0.02 -1.29 -0.07 113.55 112.70 1hco h SER 124 Ca -0.27 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.27 1hco h SER 124 Cb 2.01 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.38 1hco h SER 124 CO 0.14 1.17 0.02 -0.07 -1.14 0.00 0.00 176.83 176.94 1hco h LEU 125 N 0.30 0.19 -1.61 5.07 4.07 -1.51 0.45 115.31 122.27 1hco h LEU 125 Ca -0.05 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.64 1hco h LEU 125 Cb 1.41 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 43.09 1hco h LEU 125 CO 0.14 0.41 0.16 -0.78 -1.08 0.00 0.00 178.44 177.29 1hco h ASP 126 N -0.03 0.36 0.56 -0.43 1.82 -1.50 0.10 116.42 117.30 1hco h ASP 126 Ca 0.04 -0.02 -0.21 0.00 -0.39 0.00 0.00 57.03 56.45 1hco h ASP 126 Cb 0.30 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1hco h ASP 126 CO 0.00 0.31 -0.91 0.11 -1.61 0.00 0.00 179.24 177.13 1hco h LYS 127 N 0.42 0.23 -0.20 0.28 1.57 -0.51 -2.53 116.57 115.82 1hco h LYS 127 Ca 0.11 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1hco h LYS 127 Cb 0.03 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1hco h LYS 127 CO -0.02 0.99 0.01 0.35 -0.57 0.00 0.00 179.45 180.22 1hco h PHE 128 N 0.12 0.38 0.00 -1.35 3.57 0.13 -3.10 116.94 116.69 1hco h PHE 128 Ca -0.05 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1hco h PHE 128 Cb 1.55 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1hco h PHE 128 CO 0.04 0.53 0.00 1.28 -2.23 0.00 0.00 178.31 177.93 1hco n LEU 129 N -4.70 0.71 0.10 0.59 4.77 -0.12 -2.25 117.00 116.10 1hco n LEU 129 Ca -0.04 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.65 1hco n LEU 129 Cb 0.22 -0.38 0.38 0.00 -2.33 0.00 0.00 43.42 41.31 1hco n LEU 129 CO 0.37 -0.23 0.82 0.00 -1.33 0.00 0.00 177.39 177.01 1hco n ALA 130 N -1.76 2.37 0.00 -1.18 0.00 -0.96 -2.45 120.51 116.55 1hco n ALA 130 Ca 0.05 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1hco n ALA 130 Cb 0.39 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 1hco n ALA 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1hco n SER 131 N -2.22 0.24 0.09 0.00 7.64 -0.95 -3.32 113.62 115.10 1hco n SER 131 Ca 0.05 0.10 -0.18 0.00 1.01 0.00 0.00 58.87 59.85 1hco n SER 131 Cb 0.43 1.37 -0.11 0.00 -1.01 0.00 0.00 64.21 64.89 1hco n SER 131 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1hco h VAL 132 N 0.00 1.37 0.00 0.44 2.07 -1.38 -2.76 116.25 115.99 1hco h VAL 132 Ca -0.10 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.79 1hco h VAL 132 Cb 1.26 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1hco h VAL 132 CO 0.01 0.78 0.00 -1.20 0.02 0.00 0.00 177.57 177.18 1hco n SER 133 N -3.71 0.58 0.07 0.57 7.64 -1.02 -0.40 113.62 117.34 1hco n SER 133 Ca -0.11 0.56 -0.19 0.00 1.01 0.00 0.00 58.87 60.14 1hco n SER 133 Cb 0.96 -0.71 -0.15 0.00 -1.01 0.00 0.00 64.21 63.30 1hco n SER 133 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1hco h THR 134 N 0.00 1.08 -0.10 0.44 2.02 -1.56 -2.44 112.91 112.35 1hco h THR 134 Ca 0.00 -2.69 -0.09 0.00 0.77 0.00 0.00 66.41 64.40 1hco h THR 134 Cb 0.65 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 1hco h THR 134 CO 0.00 0.83 -0.28 0.58 0.37 0.00 0.00 175.52 177.01 1hco h VAL 135 N 0.09 1.39 0.00 3.16 2.07 -1.32 -2.82 116.25 118.83 1hco h VAL 135 Ca -0.28 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 65.63 1hco h VAL 135 Cb 2.06 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 33.99 1hco h VAL 135 CO 0.17 0.47 -0.01 -0.07 0.02 0.00 0.00 177.57 178.15 1hco h LEU 136 N -0.07 0.00 -1.63 2.57 3.38 -0.80 -2.96 115.31 115.80 1hco h LEU 136 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1hco h LEU 136 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1hco h LEU 136 CO 0.06 0.01 -0.02 0.35 0.09 0.00 0.00 178.44 178.94 1hco n THR 137 N -3.30 0.00 0.70 0.22 -2.24 -0.92 -4.43 114.28 104.31 1hco n THR 137 Ca -0.02 -0.49 0.06 0.00 -2.27 0.00 0.00 64.05 61.33 1hco n THR 137 Cb 0.12 1.35 0.35 0.00 -2.10 0.00 0.00 70.33 70.05 1hco n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1hco n SER 138 N 0.91 0.00 0.04 3.42 3.41 -1.08 -1.26 113.62 119.07 1hco n SER 138 Ca 0.10 -0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.70 1hco n SER 138 Cb 0.42 -0.16 0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1hco n SER 138 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1hco n LYS 139 N -1.16 0.34 0.00 4.33 0.00 -1.26 -4.06 118.16 116.35 1hco n LYS 139 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.41 1hco n LYS 139 Cb 0.08 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.47 1hco n LYS 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1hco n TYR 140 N -2.08 0.00 0.00 5.64 0.53 -0.38 -5.09 117.16 115.77 1hco n TYR 140 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.90 1hco n TYR 140 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.77 1hco n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38