#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hco n LEU 2 N 0.00 5.42 -4.33 6.55 4.77 -1.26 -4.97 117.00 123.18 2hco n LEU 2 Ca 0.00 -4.20 -0.35 0.00 -0.03 0.00 0.00 56.01 51.43 2hco n LEU 2 Cb 0.00 -1.67 0.08 0.00 -2.33 0.00 0.00 43.42 39.50 2hco n LEU 2 CO 0.00 0.57 -0.35 -1.54 -1.33 0.00 0.00 177.39 174.74 2hco n SER 3 N 6.78 -2.79 -0.40 -1.43 3.41 -1.26 -4.56 113.62 113.38 2hco n SER 3 Ca 0.44 0.41 0.38 0.00 -0.26 0.00 0.00 58.87 59.84 2hco n SER 3 Cb 0.43 -1.09 0.67 0.00 -0.26 0.00 0.00 64.21 63.96 2hco n SER 3 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2hco h PRO 4 N -0.94 0.00 0.00 4.33 0.13 -1.99 0.15 132.00 133.69 2hco h PRO 4 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2hco h PRO 4 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2hco h PRO 4 CO 0.35 0.00 -1.43 0.00 -0.23 0.00 0.00 178.00 176.69 2hco n ALA 5 N -2.60 3.08 0.09 -0.56 0.00 -1.26 -3.77 120.51 115.49 2hco n ALA 5 Ca 0.31 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 2hco n ALA 5 Cb 1.60 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 20.38 2hco n ALA 5 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2hco h ASP 6 N 0.00 0.46 0.09 0.00 3.32 -1.32 -2.30 116.42 116.67 2hco h ASP 6 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2hco h ASP 6 Cb 0.63 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2hco h ASP 6 CO 0.00 1.30 0.00 0.50 -1.72 0.00 0.00 179.24 179.32 2hco h LYS 7 N 0.13 0.00 0.00 3.56 3.64 -1.44 -1.38 116.57 121.08 2hco h LYS 7 Ca -0.11 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.91 2hco h LYS 7 Cb 1.82 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.57 2hco h LYS 7 CO 0.19 0.00 -2.26 2.41 -2.27 0.00 0.00 179.45 177.52 2hco n THR 8 N -2.64 1.43 0.18 1.00 -1.04 -0.99 -3.26 114.28 108.96 2hco n THR 8 Ca -0.02 -0.85 0.06 0.00 -2.04 0.00 0.00 64.05 61.20 2hco n THR 8 Cb 0.07 -0.57 0.23 0.00 -1.82 0.00 0.00 70.33 68.23 2hco n THR 8 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2hco h ASN 9 N 0.00 0.00 0.39 8.00 -0.26 -0.74 -2.47 115.58 120.50 2hco h ASN 9 Ca -0.50 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 54.92 2hco h ASN 9 Cb 2.20 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 39.45 2hco h ASN 9 CO 0.04 0.38 -1.63 0.58 -1.06 0.00 0.00 177.43 175.74 2hco h VAL 10 N 0.00 1.04 0.00 2.81 2.07 -1.52 -0.23 116.25 120.41 2hco h VAL 10 Ca -0.00 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.81 2hco h VAL 10 Cb 1.08 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 2hco h VAL 10 CO 0.05 0.80 0.00 0.11 0.02 0.00 0.00 177.57 178.55 2hco h LYS 11 N 0.07 0.00 0.06 1.57 1.57 -1.54 -1.86 116.57 116.44 2hco h LYS 11 Ca -0.28 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.13 2hco h LYS 11 Cb 2.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.29 2hco h LYS 11 CO 0.15 0.00 -2.15 0.00 -0.57 0.00 0.00 179.45 176.88 2hco n ALA 12 N -1.96 1.10 0.12 3.86 0.00 -0.93 -3.04 120.51 119.66 2hco n ALA 12 Ca 0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 53.44 52.62 2hco n ALA 12 Cb 0.27 -0.40 0.21 0.00 0.00 0.00 0.00 19.45 19.53 2hco n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hco h ALA 13 N -0.09 1.06 0.00 0.00 0.00 -0.87 -1.91 119.26 117.45 2hco h ALA 13 Ca -0.50 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 53.88 2hco h ALA 13 Cb 1.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2hco h ALA 13 CO -0.04 0.65 -0.43 2.35 0.00 0.00 0.00 179.25 181.78 2hco h TRP 14 N 0.10 0.00 -0.48 0.00 2.91 -1.53 -3.07 115.95 113.89 2hco h TRP 14 Ca 0.00 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.04 2hco h TRP 14 Cb 0.94 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.56 2hco h TRP 14 CO 0.01 0.27 0.30 0.78 -1.03 0.00 0.00 178.44 178.76 2hco h GLY 15 N 3.76 0.67 -0.33 2.65 0.00 -1.27 -1.46 103.07 107.09 2hco h GLY 15 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2hco h GLY 15 CO 0.03 0.21 -0.06 0.28 0.00 0.00 0.00 176.54 177.00 2hco n LYS 16 N -4.79 1.48 0.14 4.80 5.02 -1.04 -3.17 118.16 120.61 2hco n LYS 16 Ca 0.02 -0.87 0.05 0.00 -2.02 0.00 0.00 58.31 55.49 2hco n LYS 16 Cb 0.05 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.62 2hco n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2hco h VAL 17 N 2.13 0.62 0.00 -0.18 2.07 -1.18 -3.45 116.25 116.26 2hco h VAL 17 Ca 0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.62 2hco h VAL 17 Cb 0.51 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2hco h VAL 17 CO 0.00 0.35 0.00 0.61 0.02 0.00 0.00 177.57 178.55 2hco n GLY 18 N 1.21 0.00 0.33 2.17 0.00 -0.96 -1.91 105.19 106.03 2hco n GLY 18 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 2hco n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hco h ALA 19 N 0.00 1.51 -0.01 4.61 0.00 -1.90 -2.49 119.26 120.98 2hco h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hco h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2hco h ALA 19 CO 0.00 -0.51 -0.67 0.72 0.00 0.00 0.00 179.25 178.79 2hco n HIS 20 N -2.76 0.00 -0.38 0.00 8.25 -0.80 -4.65 115.22 114.88 2hco n HIS 20 Ca -0.01 0.00 0.29 0.00 -0.26 0.00 0.00 57.72 57.74 2hco n HIS 20 Cb 0.54 0.00 0.56 0.00 1.12 0.00 0.00 29.99 32.22 2hco n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hco h ALA 21 N 2.88 2.39 -0.00 -1.41 0.00 -1.52 0.22 119.26 121.82 2hco h ALA 21 Ca 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 2hco h ALA 21 Cb 0.52 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2hco h ALA 21 CO 0.00 -0.95 -0.79 0.78 0.00 0.00 0.00 179.25 178.29 2hco h GLY 22 N 0.24 0.09 2.00 0.00 0.00 -1.84 -0.86 103.07 102.70 2hco h GLY 22 Ca 0.73 -0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.75 2hco h GLY 22 CO -0.42 0.14 -0.72 0.83 0.00 0.00 0.00 176.54 176.36 2hco h GLU 23 N 0.05 0.00 0.22 4.80 5.08 -0.95 -3.18 114.58 120.61 2hco h GLU 23 Ca -0.02 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.02 2hco h GLU 23 Cb 1.39 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.67 2hco h GLU 23 CO 0.11 0.72 -1.42 1.88 -1.00 0.00 0.00 179.01 179.30 2hco h TYR 24 N 0.00 0.87 0.00 4.33 0.99 -0.94 -1.94 116.97 120.28 2hco h TYR 24 Ca -0.01 -0.63 -0.00 0.00 2.00 0.00 0.00 58.73 60.09 2hco h TYR 24 Cb 1.28 -0.04 -0.00 0.00 1.00 0.00 0.00 36.73 38.97 2hco h TYR 24 CO 0.00 1.49 -0.00 0.78 -0.00 0.00 0.00 178.16 180.43 2hco h GLY 25 N 0.53 0.00 0.43 3.88 0.00 -1.23 -1.46 103.07 105.22 2hco h GLY 25 Ca -0.22 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 2hco h GLY 25 CO 0.26 0.00 -1.79 0.00 0.00 0.00 0.00 176.54 175.01 2hco n ALA 26 N -2.09 2.19 0.09 3.60 0.00 -1.20 -3.11 120.51 119.98 2hco n ALA 26 Ca -0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 53.44 52.70 2hco n ALA 26 Cb 0.24 -0.72 0.11 0.00 0.00 0.00 0.00 19.45 19.08 2hco n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2hco h GLU 27 N 0.00 0.21 0.00 0.00 4.81 -0.70 -2.65 114.58 116.26 2hco h GLU 27 Ca -0.18 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2hco h GLU 27 Cb 1.48 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2hco h GLU 27 CO 0.02 0.78 -0.15 0.00 -0.73 0.00 0.00 179.01 178.93 2hco h ALA 28 N 1.18 0.91 0.00 2.92 0.00 -1.39 -1.73 119.26 121.15 2hco h ALA 28 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2hco h ALA 28 Cb 1.16 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2hco h ALA 28 CO 0.10 0.00 -0.41 -0.07 0.00 0.00 0.00 179.25 178.87 2hco h LEU 29 N 0.00 0.35 -1.25 0.00 3.38 -1.46 -2.63 115.31 113.71 2hco h LEU 29 Ca 0.00 -0.78 0.11 0.00 0.09 0.00 0.00 57.88 57.30 2hco h LEU 29 Cb 0.82 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 2hco h LEU 29 CO 0.00 1.09 0.57 -0.08 0.09 0.00 0.00 178.44 180.10 2hco h GLU 30 N -0.34 0.78 -0.30 1.13 4.81 -1.31 0.11 114.58 119.46 2hco h GLU 30 Ca -0.05 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 58.97 2hco h GLU 30 Cb 1.15 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2hco h GLU 30 CO 0.08 0.51 -0.44 0.00 -0.73 0.00 0.00 179.01 178.43 2hco h ARG 31 N 0.80 0.77 -0.24 1.92 3.08 -1.33 -2.12 114.38 117.26 2hco h ARG 31 Ca 0.42 -0.43 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 2hco h ARG 31 Cb 0.51 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2hco h ARG 31 CO -0.18 1.05 -0.62 1.98 -1.07 0.00 0.00 179.97 181.13 2hco h MET 32 N 0.62 0.83 0.00 0.04 4.05 -0.58 -0.65 114.93 119.24 2hco h MET 32 Ca 0.04 -0.57 -0.05 0.00 -0.28 0.00 0.00 59.70 58.84 2hco h MET 32 Cb 1.01 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.89 2hco h MET 32 CO 0.10 1.20 -0.24 0.74 0.23 0.00 0.00 176.91 178.93 2hco h PHE 33 N 0.62 0.00 0.03 1.39 0.04 -0.83 -1.34 116.94 116.84 2hco h PHE 33 Ca -0.01 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.55 2hco h PHE 33 Cb 1.23 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 2hco h PHE 33 CO 0.07 0.24 -1.16 1.25 -0.60 0.00 0.00 178.31 178.12 2hco h LEU 34 N 0.00 0.10 0.04 1.54 5.85 -1.23 -3.37 115.31 118.24 2hco h LEU 34 Ca -0.00 -0.67 -0.16 0.00 0.84 0.00 0.00 57.88 57.89 2hco h LEU 34 Cb 0.66 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.68 2hco h LEU 34 CO 0.03 1.47 -0.64 0.28 -0.34 0.00 0.00 178.44 179.24 2hco h SER 35 N -0.80 0.49 -3.27 1.25 0.02 -1.10 -3.40 113.55 106.74 2hco h SER 35 Ca -0.30 -0.83 -0.64 0.00 -0.84 0.00 0.00 61.79 59.19 2hco h SER 35 Cb 1.39 -0.15 -0.41 0.00 0.14 0.00 0.00 62.40 63.37 2hco h SER 35 CO -0.11 1.26 -0.49 -0.36 -1.14 0.00 0.00 176.83 175.99 2hco s PHE 36 N -2.95 3.60 -0.94 3.45 0.40 -0.51 -4.95 117.98 116.09 2hco s PHE 36 Ca -0.14 -3.27 0.08 0.00 -0.60 0.00 0.00 56.93 53.01 2hco s PHE 36 Cb 0.02 -2.82 0.35 0.00 0.51 0.00 0.00 43.02 41.08 2hco s PHE 36 CO 0.82 -0.60 1.25 -2.30 0.70 0.00 0.00 175.22 175.09 2hco n PRO 37 N 2.15 0.01 0.00 0.24 -0.02 -1.26 -2.27 135.00 133.86 2hco n PRO 37 Ca 0.19 0.40 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 2hco n PRO 37 Cb 0.35 -1.54 0.61 0.00 -0.02 0.00 0.00 33.50 32.91 2hco n PRO 37 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2hco n THR 38 N -1.56 0.16 1.04 3.45 5.66 -1.26 -2.21 114.28 119.56 2hco n THR 38 Ca 0.01 0.04 0.11 0.00 -3.05 0.00 0.00 64.05 61.17 2hco n THR 38 Cb 0.08 -0.68 0.08 0.00 -1.55 0.00 0.00 70.33 68.26 2hco n THR 38 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2hco n THR 39 N -1.15 0.00 0.30 1.09 -2.24 -0.96 -4.14 114.28 107.19 2hco n THR 39 Ca 0.14 -0.09 0.17 0.00 -2.27 0.00 0.00 64.05 61.99 2hco n THR 39 Cb 0.13 0.81 0.67 0.00 -2.10 0.00 0.00 70.33 69.84 2hco n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2hco h LYS 40 N 0.87 0.00 -1.14 -0.78 1.57 -1.68 -3.06 116.57 112.35 2hco h LYS 40 Ca 0.00 0.00 0.33 0.00 -1.87 0.00 0.00 60.65 59.11 2hco h LYS 40 Cb 0.57 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 2hco h LYS 40 CO 0.00 0.00 0.82 1.15 -0.57 0.00 0.00 179.45 180.85 2hco h THR 41 N 0.00 0.43 0.00 -0.16 2.02 -1.79 -1.46 112.91 111.96 2hco h THR 41 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2hco h THR 41 Cb 0.46 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2hco h THR 41 CO 0.00 0.00 -1.10 -1.22 0.37 0.00 0.00 175.52 173.58 2hco n TYR 42 N -4.21 0.21 -2.92 3.16 4.01 -1.16 -4.41 117.16 111.83 2hco n TYR 42 Ca 0.25 0.06 -0.27 0.00 -0.16 0.00 0.00 57.90 57.77 2hco n TYR 42 Cb 1.19 -0.39 -0.04 0.00 -0.31 0.00 0.00 39.34 39.80 2hco n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2hco n PHE 43 N -1.92 4.03 0.65 -0.72 3.01 -0.55 -4.83 117.46 117.13 2hco n PHE 43 Ca 0.02 -3.96 0.11 0.00 1.01 0.00 0.00 57.45 54.64 2hco n PHE 43 Cb 0.43 -0.49 0.46 0.00 -0.01 0.00 0.00 39.48 39.87 2hco n PHE 43 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2hco n PRO 44 N -0.25 0.10 -0.25 -1.08 -0.02 -1.25 -1.90 135.00 130.34 2hco n PRO 44 Ca 0.31 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 2hco n PRO 44 Cb 0.39 -1.65 0.23 0.00 -0.02 0.00 0.00 33.50 32.46 2hco n PRO 44 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2hco n HIS 45 N -1.82 0.66 -4.11 6.00 1.44 -1.26 -4.90 115.22 111.22 2hco n HIS 45 Ca 0.05 -0.41 -0.32 0.00 -2.01 0.00 0.00 57.72 55.03 2hco n HIS 45 Cb 0.29 -0.01 -0.07 0.00 0.12 0.00 0.00 29.99 30.32 2hco n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2hco s PHE 46 N -1.11 3.21 -0.65 -1.40 2.99 -0.80 -5.04 117.98 115.18 2hco s PHE 46 Ca 0.37 0.14 -0.27 0.00 0.00 0.00 0.00 56.93 57.16 2hco s PHE 46 Cb 0.20 -1.68 0.02 0.00 0.00 0.00 0.00 43.02 41.56 2hco s PHE 46 CO 0.27 0.52 1.36 0.34 -0.00 0.00 0.00 175.22 177.71 2hco s ASP 47 N -1.95 6.12 -0.09 1.36 3.68 -1.26 -4.82 116.67 119.71 2hco s ASP 47 Ca 0.25 -0.08 0.00 0.00 2.13 0.00 0.00 52.55 54.85 2hco s ASP 47 Cb -0.12 -2.55 0.10 0.00 -1.45 0.00 0.00 42.92 38.90 2hco s ASP 47 CO 0.16 -1.79 1.44 0.18 0.13 0.00 0.00 175.17 175.29 2hco n LEU 48 N 9.58 4.35 -4.93 -1.34 7.99 -1.26 -4.61 117.00 126.78 2hco n LEU 48 Ca 0.08 -2.16 -0.25 0.00 -0.01 0.00 0.00 56.01 53.67 2hco n LEU 48 Cb 0.49 -0.74 -0.02 0.00 -0.11 0.00 0.00 43.42 43.05 2hco n LEU 48 CO 0.71 0.76 0.17 -0.55 -1.51 0.00 0.00 177.39 176.97 2hco s SER 49 N 0.84 6.33 0.19 -1.43 0.15 -1.26 -5.01 113.70 113.51 2hco s SER 49 Ca 0.10 0.51 -0.12 0.00 0.70 0.00 0.00 55.95 57.14 2hco s SER 49 Cb 0.09 -2.06 0.17 0.00 -1.71 0.00 0.00 66.02 62.51 2hco s SER 49 CO 0.01 -0.25 1.77 -0.74 1.20 0.00 0.00 173.24 175.23 2hco h HIS 50 N 1.07 0.43 0.00 3.44 2.76 -2.00 -2.85 115.15 117.99 2hco h HIS 50 Ca -0.49 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 2hco h HIS 50 Cb 1.21 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.05 2hco h HIS 50 CO 0.53 0.18 -0.17 0.41 -1.30 0.00 0.00 177.93 177.59 2hco n GLY 51 N -1.26 -1.56 3.69 5.26 0.00 -1.26 -4.94 105.19 105.12 2hco n GLY 51 Ca 0.05 -0.11 -0.63 0.00 0.00 0.00 0.00 46.02 45.33 2hco n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hco n SER 52 N -1.99 1.68 0.31 1.61 2.88 -1.08 -4.86 113.62 112.17 2hco n SER 52 Ca 0.05 1.08 0.19 0.00 -1.33 0.00 0.00 58.87 58.86 2hco n SER 52 Cb 0.40 -1.00 1.01 0.00 -0.75 0.00 0.00 64.21 63.87 2hco n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hco h ALA 53 N 6.48 1.12 0.10 -1.46 0.00 -1.91 -1.85 119.26 121.75 2hco h ALA 53 Ca -0.42 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.24 2hco h ALA 53 Cb 1.35 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.16 2hco h ALA 53 CO 0.98 0.02 -0.98 1.96 0.00 0.00 0.00 179.25 181.24 2hco h GLN 54 N 0.00 0.49 -0.01 0.00 4.20 -1.89 0.86 115.11 118.76 2hco h GLN 54 Ca -0.00 -0.66 -0.13 0.00 0.06 0.00 0.00 58.65 57.92 2hco h GLN 54 Cb 0.15 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2hco h GLN 54 CO 0.00 1.28 -0.60 0.28 -0.67 0.00 0.00 178.83 179.13 2hco h VAL 55 N 0.01 1.42 0.00 -0.54 2.07 -1.72 0.97 116.25 118.47 2hco h VAL 55 Ca -0.15 -2.03 -0.16 0.00 0.82 0.00 0.00 66.70 65.18 2hco h VAL 55 Cb 1.70 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 33.54 2hco h VAL 55 CO 0.19 0.58 -0.77 0.50 0.02 0.00 0.00 177.57 178.09 2hco h LYS 56 N 0.02 0.00 0.00 1.57 3.64 -1.36 -0.86 116.57 119.58 2hco h LYS 56 Ca -0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2hco h LYS 56 Cb 1.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2hco h LYS 56 CO 0.08 0.77 -0.32 0.78 -2.27 0.00 0.00 179.45 178.49 2hco h GLY 57 N 2.74 0.00 1.00 5.01 0.00 -0.34 -3.15 103.07 108.33 2hco h GLY 57 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2hco h GLY 57 CO 0.10 0.00 -0.98 1.57 0.00 0.00 0.00 176.54 177.23 2hco n HIS 58 N -3.13 0.93 -0.16 5.60 -0.00 0.29 -3.51 115.22 115.24 2hco n HIS 58 Ca 0.02 0.27 -0.05 0.00 0.46 0.00 0.00 57.72 58.43 2hco n HIS 58 Cb 0.64 -0.93 0.14 0.00 -0.12 0.00 0.00 29.99 29.72 2hco n HIS 58 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2hco h GLY 59 N 4.05 0.97 1.33 1.57 0.00 -1.12 -0.56 103.07 109.32 2hco h GLY 59 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.74 2hco h GLY 59 CO 0.00 0.56 0.45 0.50 0.00 0.00 0.00 176.54 178.05 2hco h LYS 60 N 0.86 0.88 -0.01 4.80 1.57 -1.61 -0.42 116.57 122.65 2hco h LYS 60 Ca 0.18 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.69 2hco h LYS 60 Cb 0.37 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 32.49 2hco h LYS 60 CO 0.01 0.59 -0.83 0.87 -0.57 0.00 0.00 179.45 179.51 2hco h LYS 61 N 0.91 0.58 -0.32 3.15 1.57 -1.23 -0.72 116.57 120.52 2hco h LYS 61 Ca 0.25 -0.61 -0.09 0.00 -1.87 0.00 0.00 60.65 58.33 2hco h LYS 61 Cb -0.10 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2hco h LYS 61 CO -0.05 1.22 -0.16 0.28 -0.57 0.00 0.00 179.45 180.17 2hco h VAL 62 N 0.18 1.25 0.00 0.50 2.07 -0.96 -1.63 116.25 117.66 2hco h VAL 62 Ca -0.10 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.19 2hco h VAL 62 Cb 1.51 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2hco h VAL 62 CO 0.16 0.37 -0.41 0.00 0.02 0.00 0.00 177.57 177.72 2hco h ALA 63 N 1.31 0.87 0.00 1.67 0.00 -1.07 -0.96 119.26 121.09 2hco h ALA 63 Ca 0.09 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 2hco h ALA 63 Cb 0.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2hco h ALA 63 CO 0.04 0.51 -0.87 -0.44 0.00 0.00 0.00 179.25 178.49 2hco h ASP 64 N 0.00 0.26 1.59 0.00 5.19 -0.50 -2.83 116.42 120.13 2hco h ASP 64 Ca -0.00 -0.21 -0.06 0.00 -0.62 0.00 0.00 57.03 56.14 2hco h ASP 64 Cb 1.07 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 2hco h ASP 64 CO 0.05 1.01 -0.42 0.00 -3.12 0.00 0.00 179.24 176.77 2hco h ALA 65 N 0.97 0.79 -0.07 3.45 0.00 -0.91 -2.41 119.26 121.07 2hco h ALA 65 Ca -0.04 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 2hco h ALA 65 Cb 1.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2hco h ALA 65 CO 0.13 0.32 -0.81 -0.07 0.00 0.00 0.00 179.25 178.82 2hco h LEU 66 N 0.00 0.65 -0.69 0.00 3.38 -1.19 -2.86 115.31 114.59 2hco h LEU 66 Ca -0.01 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 2hco h LEU 66 Cb 1.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2hco h LEU 66 CO 0.03 1.23 -0.13 0.74 0.09 0.00 0.00 178.44 180.40 2hco h THR 67 N 0.35 1.26 -0.12 0.22 2.02 -1.42 0.14 112.91 115.36 2hco h THR 67 Ca -0.05 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.89 2hco h THR 67 Cb 1.42 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2hco h THR 67 CO 0.15 0.43 0.00 -3.20 0.37 0.00 0.00 175.52 173.27 2hco n ASN 68 N -4.15 0.87 -0.04 4.18 4.05 -0.92 -0.71 115.26 118.54 2hco n ASN 68 Ca 0.01 -2.03 -0.05 0.00 0.45 0.00 0.00 54.58 52.97 2hco n ASN 68 Cb 0.39 -0.16 -0.06 0.00 1.23 0.00 0.00 39.78 41.18 2hco n ASN 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2hco n ALA 69 N -0.09 1.79 -0.12 5.20 0.00 -0.66 -4.54 120.51 122.09 2hco n ALA 69 Ca 0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 53.44 52.89 2hco n ALA 69 Cb 0.16 0.12 0.08 0.00 0.00 0.00 0.00 19.45 19.82 2hco n ALA 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hco h VAL 70 N 0.00 1.26 -3.62 0.00 2.07 0.11 -2.49 116.25 113.58 2hco h VAL 70 Ca -0.22 -1.24 -0.68 0.00 0.82 0.00 0.00 66.70 65.38 2hco h VAL 70 Cb 1.47 1.05 -0.27 0.00 -1.52 0.00 0.00 31.29 32.02 2hco h VAL 70 CO -0.00 0.43 -0.62 0.00 0.02 0.00 0.00 177.57 177.40 2hco s ALA 71 N -4.77 3.06 0.00 1.67 0.00 0.11 -3.67 121.76 118.16 2hco s ALA 71 Ca -0.10 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.31 2hco s ALA 71 Cb 0.13 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2hco s ALA 71 CO 0.84 -1.07 0.00 0.72 0.00 0.00 0.00 175.76 176.25 2hco n HIS 72 N 4.85 0.00 0.32 0.00 -0.00 -1.26 -4.44 115.22 114.69 2hco n HIS 72 Ca -0.14 0.00 0.21 0.00 -0.00 0.00 0.00 57.72 57.79 2hco n HIS 72 Cb 0.47 0.00 1.03 0.00 -0.00 0.00 0.00 29.99 31.48 2hco n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 2hco h VAL 73 N 0.00 0.00 -0.16 1.59 3.04 -1.52 -0.83 116.25 118.38 2hco h VAL 73 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2hco h VAL 73 Cb 0.00 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 2hco h VAL 73 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 2hco n ASP 74 N -3.03 0.92 -2.72 3.17 10.43 -1.26 -3.94 116.55 120.12 2hco n ASP 74 Ca -0.02 -1.93 -0.07 0.00 2.57 0.00 0.00 54.79 55.34 2hco n ASP 74 Cb 0.14 -0.11 0.09 0.00 1.84 0.00 0.00 41.12 43.08 2hco n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2hco n ASP 75 N -0.03 -2.13 -0.01 -2.24 4.64 -0.33 -5.03 116.55 111.42 2hco n ASP 75 Ca 0.07 -3.19 -0.10 0.00 -1.38 0.00 0.00 54.79 50.20 2hco n ASP 75 Cb 0.16 1.71 -0.04 0.00 -1.04 0.00 0.00 41.12 41.90 2hco n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 2hco h MET 76 N 2.95 0.07 -0.97 -0.67 2.86 -1.64 -3.27 114.93 114.26 2hco h MET 76 Ca -0.16 -0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.62 2hco h MET 76 Cb 1.12 -0.02 -0.15 0.00 0.06 0.00 0.00 31.60 32.61 2hco h MET 76 CO 0.11 0.05 -0.40 -2.30 1.06 0.00 0.00 176.91 175.43 2hco n PRO 77 N -5.09 -0.25 -0.10 -0.22 -0.02 -1.26 -1.35 135.00 126.71 2hco n PRO 77 Ca -0.04 1.50 -0.13 0.00 -2.02 0.00 0.00 63.50 62.80 2hco n PRO 77 Cb 0.07 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 2hco n PRO 77 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2hco h ASN 78 N 0.00 0.87 -0.30 2.55 -1.24 -1.97 -3.14 115.58 112.35 2hco h ASN 78 Ca 0.32 -0.47 -0.15 0.00 0.71 0.00 0.00 56.30 56.71 2hco h ASN 78 Cb 0.56 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 2hco h ASN 78 CO -0.96 1.16 -0.39 0.00 -1.29 0.00 0.00 177.43 175.95 2hco h ALA 79 N 0.73 0.45 -0.53 1.57 0.00 -1.40 -3.24 119.26 116.84 2hco h ALA 79 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2hco h ALA 79 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2hco h ALA 79 CO 0.08 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.16 2hco n LEU 80 N -4.15 2.99 -0.20 0.00 4.77 -0.45 -4.64 117.00 115.32 2hco n LEU 80 Ca -0.04 -1.50 -0.05 0.00 -0.03 0.00 0.00 56.01 54.40 2hco n LEU 80 Cb 0.54 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2hco n LEU 80 CO 0.47 0.70 0.65 -1.28 -1.33 0.00 0.00 177.39 176.60 2hco h SER 81 N 3.11 -1.07 0.85 -1.43 0.87 -1.58 -0.81 113.55 113.50 2hco h SER 81 Ca 0.00 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2hco h SER 81 Cb 0.78 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2hco h SER 81 CO 0.03 -0.29 0.00 0.00 -0.53 0.00 0.00 176.83 176.03 2hco n ALA 82 N -3.13 2.23 0.74 6.23 0.00 -1.26 -1.07 120.51 124.24 2hco n ALA 82 Ca 0.05 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.50 2hco n ALA 82 Cb 0.35 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.42 2hco n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hco n LEU 83 N -1.47 0.65 -1.70 0.00 7.99 -0.63 -2.19 117.00 119.66 2hco n LEU 83 Ca 0.07 -0.10 -0.02 0.00 -0.01 0.00 0.00 56.01 55.95 2hco n LEU 83 Cb 0.30 -0.11 0.29 0.00 -0.11 0.00 0.00 43.42 43.79 2hco n LEU 83 CO 0.24 0.10 0.93 -0.24 -1.51 0.00 0.00 177.39 176.91 2hco n SER 84 N -1.78 4.47 0.00 -1.43 2.88 -0.23 -2.67 113.62 114.86 2hco n SER 84 Ca 0.03 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.34 2hco n SER 84 Cb 0.40 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 2hco n SER 84 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2hco n ASP 85 N -0.29 1.54 0.08 -3.46 -0.08 -1.04 -4.48 116.55 108.84 2hco n ASP 85 Ca 0.36 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.51 2hco n ASP 85 Cb 1.25 0.13 -0.08 0.00 2.34 0.00 0.00 41.12 44.76 2hco n ASP 85 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2hco h LEU 86 N 0.00 -0.19 -0.89 -2.67 5.85 -1.54 0.18 115.31 116.05 2hco h LEU 86 Ca 0.00 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.35 2hco h LEU 86 Cb 0.32 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2hco h LEU 86 CO 0.00 0.18 -0.48 0.45 -0.34 0.00 0.00 178.44 178.26 2hco h HIS 87 N -0.60 0.00 0.00 1.25 3.86 -1.78 0.97 115.15 118.85 2hco h HIS 87 Ca -0.02 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.86 2hco h HIS 87 Cb 0.45 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.86 2hco h HIS 87 CO 0.04 0.48 -2.27 0.00 0.86 0.00 0.00 177.93 177.03 2hco n ALA 88 N -2.36 1.61 -0.09 2.45 0.00 -1.22 -1.89 120.51 119.01 2hco n ALA 88 Ca -0.01 -1.20 -0.14 0.00 0.00 0.00 0.00 53.44 52.09 2hco n ALA 88 Cb 0.55 -0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 2hco n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hco n HIS 89 N -2.67 0.00 -0.04 0.00 -0.00 0.58 -4.34 115.22 108.75 2hco n HIS 89 Ca -0.29 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.30 2hco n HIS 89 Cb 1.08 -0.59 -0.07 0.00 -0.00 0.00 0.00 29.99 30.41 2hco n HIS 89 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2hco h LYS 90 N -0.90 0.22 0.04 -0.41 3.64 -0.94 -3.38 116.57 114.84 2hco h LYS 90 Ca -0.20 -0.09 -0.37 0.00 -1.27 0.00 0.00 60.65 58.72 2hco h LYS 90 Cb 1.10 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 2hco h LYS 90 CO -0.12 0.55 -2.23 1.28 -2.27 0.00 0.00 179.45 176.66 2hco n LEU 91 N -4.73 2.20 -3.05 5.20 4.77 0.30 -5.03 117.00 116.66 2hco n LEU 91 Ca -0.06 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2hco n LEU 91 Cb 0.26 -0.65 0.05 0.00 -2.33 0.00 0.00 43.42 40.75 2hco n LEU 91 CO 0.36 0.79 0.07 0.54 -1.33 0.00 0.00 177.39 177.82 2hco n ARG 92 N -3.23 -1.91 -2.70 3.23 5.12 -0.86 -4.97 116.66 111.35 2hco n ARG 92 Ca -0.36 0.86 -0.42 0.00 -1.93 0.00 0.00 57.85 56.00 2hco n ARG 92 Cb 1.04 -5.39 -0.03 0.00 -1.16 0.00 0.00 32.46 26.93 2hco n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2hco s VAL 93 N -3.30 4.82 0.02 1.55 1.01 -0.79 -4.97 120.40 118.73 2hco s VAL 93 Ca 0.36 2.05 -0.30 0.00 0.00 0.00 0.00 61.98 64.08 2hco s VAL 93 Cb -0.05 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.94 2hco s VAL 93 CO 0.67 0.08 1.86 -0.62 0.00 0.00 0.00 175.10 177.09 2hco s ASP 94 N 1.06 6.51 0.00 3.32 -1.08 -1.26 -4.84 116.67 120.38 2hco s ASP 94 Ca 0.50 2.56 0.00 0.00 -0.52 0.00 0.00 52.55 55.09 2hco s ASP 94 Cb -0.20 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2hco s ASP 94 CO 0.23 -1.01 0.93 -0.81 0.52 0.00 0.00 175.17 175.02 2hco n PRO 95 N 7.18 0.00 0.08 4.34 -0.04 -1.26 -0.59 135.00 144.71 2hco n PRO 95 Ca 0.19 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 2hco n PRO 95 Cb 0.41 -1.57 0.45 0.00 -0.04 0.00 0.00 33.50 32.76 2hco n PRO 95 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2hco n VAL 96 N -1.43 0.49 0.20 0.52 3.14 -1.26 -2.65 118.33 117.34 2hco n VAL 96 Ca 0.00 -0.19 0.09 0.00 -2.96 0.00 0.00 64.34 61.28 2hco n VAL 96 Cb 0.07 -0.61 0.21 0.00 -1.06 0.00 0.00 33.84 32.45 2hco n VAL 96 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2hco h ASN 97 N 0.00 0.00 0.26 6.55 -0.26 -1.22 -2.96 115.58 117.95 2hco h ASN 97 Ca 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.60 2hco h ASN 97 Cb 0.66 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 2hco h ASN 97 CO 0.00 0.23 -0.55 -0.26 -1.06 0.00 0.00 177.43 175.79 2hco h PHE 98 N 0.00 0.38 -0.71 1.19 0.04 -1.67 -1.60 116.94 114.57 2hco h PHE 98 Ca -0.00 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 2hco h PHE 98 Cb 1.06 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 39.10 2hco h PHE 98 CO 0.00 0.79 0.34 0.87 -0.60 0.00 0.00 178.31 179.71 2hco h LYS 99 N 0.24 1.02 -0.08 1.51 1.57 -1.63 -1.22 116.57 117.97 2hco h LYS 99 Ca 0.00 -0.14 -0.24 0.00 -1.87 0.00 0.00 60.65 58.40 2hco h LYS 99 Cb 1.04 -0.19 0.02 0.00 0.08 0.00 0.00 32.23 33.18 2hco h LYS 99 CO 0.09 0.79 -0.89 -0.07 -0.57 0.00 0.00 179.45 178.79 2hco h LEU 100 N 1.01 0.93 -0.66 2.94 3.38 -1.39 -2.34 115.31 119.18 2hco h LEU 100 Ca 0.25 -0.68 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 2hco h LEU 100 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2hco h LEU 100 CO -0.03 1.47 -0.56 0.25 0.09 0.00 0.00 178.44 179.66 2hco h LEU 101 N 0.46 0.37 -1.55 1.67 5.85 -1.17 -1.12 115.31 119.83 2hco h LEU 101 Ca -0.09 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2hco h LEU 101 Cb 1.54 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2hco h LEU 101 CO 0.18 0.85 0.10 0.28 -0.34 0.00 0.00 178.44 179.51 2hco h SER 102 N 0.25 0.35 0.13 1.25 0.02 -1.19 -0.43 113.55 113.93 2hco h SER 102 Ca 0.00 -0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.63 2hco h SER 102 Cb 1.06 -0.09 0.03 0.00 0.14 0.00 0.00 62.40 63.54 2hco h SER 102 CO 0.09 0.34 -1.21 -0.74 -1.14 0.00 0.00 176.83 174.17 2hco h HIS 103 N 0.39 0.98 -0.16 3.45 -0.00 -0.78 -2.65 115.15 116.39 2hco h HIS 103 Ca 0.10 -0.62 -0.08 0.00 -0.00 0.00 0.00 60.37 59.76 2hco h HIS 103 Cb 0.11 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 2hco h HIS 103 CO 0.00 1.46 -0.28 0.00 -0.00 0.00 0.00 177.93 179.12 2hco h LEU 105 N 0.26 0.70 -0.29 0.00 5.85 -1.09 -0.43 115.31 120.32 2hco h LEU 105 Ca 0.04 -0.16 -0.18 0.00 0.84 0.00 0.00 57.88 58.41 2hco h LEU 105 Cb 0.63 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2hco h LEU 105 CO 0.05 0.78 -0.86 -0.07 -0.34 0.00 0.00 178.44 177.99 2hco h LEU 106 N 0.69 0.02 -0.43 2.25 3.38 -0.98 -0.89 115.31 119.34 2hco h LEU 106 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2hco h LEU 106 Cb 0.43 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2hco h LEU 106 CO 0.02 0.87 0.00 0.58 0.09 0.00 0.00 178.44 179.99 2hco h VAL 107 N 0.01 0.00 0.05 1.22 2.07 -0.38 -1.17 116.25 118.04 2hco h VAL 107 Ca -0.01 -0.36 -0.33 0.00 0.82 0.00 0.00 66.70 66.82 2hco h VAL 107 Cb 1.52 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 2hco h VAL 107 CO 0.11 0.00 -1.92 0.41 0.02 0.00 0.00 177.57 176.20 2hco n THR 108 N -2.30 1.65 -0.17 2.57 -1.04 -0.24 -2.12 114.28 112.63 2hco n THR 108 Ca 0.03 -0.74 -0.10 0.00 -2.04 0.00 0.00 64.05 61.21 2hco n THR 108 Cb 0.32 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 2hco n THR 108 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2hco h LEU 109 N 0.03 0.91 -0.18 -4.42 -0.00 -0.92 -2.71 115.31 108.02 2hco h LEU 109 Ca -0.38 -0.33 0.03 0.00 -0.00 0.00 0.00 57.88 57.20 2hco h LEU 109 Cb 2.04 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 42.42 2hco h LEU 109 CO 0.07 1.03 -0.01 0.00 -0.00 0.00 0.00 178.44 179.53 2hco h ALA 110 N 0.92 0.15 0.00 1.53 0.00 -1.32 0.14 119.26 120.68 2hco h ALA 110 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2hco h ALA 110 Cb 0.59 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2hco h ALA 110 CO 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.84 2hco n ALA 111 N -2.32 2.12 0.00 0.00 0.00 -0.90 -3.38 120.51 116.04 2hco n ALA 111 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2hco n ALA 111 Cb 0.10 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2hco n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hco n HIS 112 N -1.38 0.00 -3.30 0.00 -0.00 -0.97 -4.92 115.22 104.65 2hco n HIS 112 Ca 0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.55 2hco n HIS 112 Cb 0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.13 2hco n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2hco n LEU 113 N -1.17 0.62 0.17 2.41 4.77 0.46 -5.01 117.00 119.25 2hco n LEU 113 Ca 0.00 -4.74 0.03 0.00 -0.03 0.00 0.00 56.01 51.27 2hco n LEU 113 Cb 0.00 0.39 0.29 0.00 -2.33 0.00 0.00 43.42 41.76 2hco n LEU 113 CO 0.00 2.01 0.62 1.55 -1.33 0.00 0.00 177.39 180.24 2hco h PRO 114 N 4.46 0.00 0.00 3.23 0.13 -1.82 -2.75 132.00 135.24 2hco h PRO 114 Ca 0.14 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.99 2hco h PRO 114 Cb 0.85 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.94 2hco h PRO 114 CO 0.50 0.46 -1.62 0.00 -0.23 0.00 0.00 178.00 177.11 2hco h ALA 115 N 1.54 0.73 -0.41 -0.56 0.00 -1.94 -3.30 119.26 115.31 2hco h ALA 115 Ca -0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 54.91 53.37 2hco h ALA 115 Cb 0.93 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2hco h ALA 115 CO 0.06 1.52 -0.34 0.93 0.00 0.00 0.00 179.25 181.43 2hco h GLU 116 N 0.00 0.96 -3.63 0.00 4.39 -1.99 -3.38 114.58 110.93 2hco h GLU 116 Ca -0.25 -0.48 -0.68 0.00 0.34 0.00 0.00 59.36 58.29 2hco h GLU 116 Cb 1.97 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.61 2hco h GLU 116 CO 0.08 1.14 3.35 0.34 -1.16 0.00 0.00 179.01 182.76 2hco n PHE 117 N -4.07 2.95 -2.67 4.33 7.35 -1.04 -4.78 117.46 119.52 2hco n PHE 117 Ca -0.02 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.45 2hco n PHE 117 Cb 0.52 -2.46 -0.02 0.00 0.35 0.00 0.00 39.48 37.87 2hco n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2hco s THR 118 N 2.91 4.79 0.50 -2.13 -4.23 -1.26 -4.84 115.64 111.38 2hco s THR 118 Ca 0.56 0.58 0.23 0.00 -1.18 0.00 0.00 61.69 61.89 2hco s THR 118 Cb 0.15 -3.78 0.39 0.00 1.34 0.00 0.00 72.50 70.61 2hco s THR 118 CO -0.07 -0.68 1.97 -0.65 -0.54 0.00 0.00 174.62 174.65 2hco h PRO 119 N 0.81 0.11 -0.07 3.99 0.11 -1.98 0.12 132.00 135.09 2hco h PRO 119 Ca -0.47 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 2hco h PRO 119 Cb 1.19 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2hco h PRO 119 CO 0.63 0.07 -0.78 0.00 -0.21 0.00 0.00 178.00 177.71 2hco h ALA 120 N 1.69 0.52 0.00 -0.75 0.00 -1.96 -2.39 119.26 116.38 2hco h ALA 120 Ca 0.30 -0.63 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 2hco h ALA 120 Cb 1.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2hco h ALA 120 CO -0.03 0.77 -0.75 0.28 0.00 0.00 0.00 179.25 179.51 2hco h VAL 121 N 0.29 1.43 -0.55 0.00 2.07 -1.18 -1.56 116.25 116.75 2hco h VAL 121 Ca -0.04 -2.67 -0.05 0.00 0.82 0.00 0.00 66.70 64.75 2hco h VAL 121 Cb 1.37 2.49 -0.03 0.00 -1.52 0.00 0.00 31.29 33.60 2hco h VAL 121 CO 0.14 0.74 0.14 -0.74 0.02 0.00 0.00 177.57 177.87 2hco h HIS 122 N 0.00 0.86 -0.32 1.57 6.17 -0.81 0.46 115.15 123.08 2hco h HIS 122 Ca -0.01 -0.08 -0.12 0.00 0.71 0.00 0.00 60.37 60.88 2hco h HIS 122 Cb 1.43 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 31.10 2hco h HIS 122 CO 0.00 0.72 -0.27 0.00 0.71 0.00 0.00 177.93 179.09 2hco h ALA 123 N 1.35 0.46 -0.48 5.26 0.00 -1.05 -2.09 119.26 122.72 2hco h ALA 123 Ca 0.18 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2hco h ALA 123 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2hco h ALA 123 CO -0.00 0.47 0.01 0.77 0.00 0.00 0.00 179.25 180.49 2hco h SER 124 N 0.51 0.82 -0.10 0.00 0.02 -0.50 -0.13 113.55 114.17 2hco h SER 124 Ca 0.06 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.61 2hco h SER 124 Cb 0.83 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2hco h SER 124 CO 0.07 0.92 -0.24 -0.07 -1.14 0.00 0.00 176.83 176.37 2hco h LEU 125 N 0.69 0.53 -0.33 5.07 4.07 -0.92 0.20 115.31 124.63 2hco h LEU 125 Ca 0.14 -0.18 -0.18 0.00 0.08 0.00 0.00 57.88 57.73 2hco h LEU 125 Cb 0.49 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.09 2hco h LEU 125 CO 0.02 0.77 -0.57 -0.78 -1.08 0.00 0.00 178.44 176.80 2hco h ASP 126 N 0.47 0.89 0.40 -0.43 1.82 -1.05 -1.26 116.42 117.27 2hco h ASP 126 Ca 0.07 -0.49 -0.09 0.00 -0.39 0.00 0.00 57.03 56.13 2hco h ASP 126 Cb 0.67 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 2hco h ASP 126 CO 0.05 1.27 -0.41 0.11 -1.61 0.00 0.00 179.24 178.65 2hco h LYS 127 N 0.61 0.01 -0.07 0.28 1.57 -0.61 -0.94 116.57 117.41 2hco h LYS 127 Ca 0.01 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2hco h LYS 127 Cb 1.17 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2hco h LYS 127 CO 0.12 0.42 -0.09 0.35 -0.57 0.00 0.00 179.45 179.68 2hco h PHE 128 N 0.01 0.23 0.00 -1.35 3.57 -0.62 -2.92 116.94 115.87 2hco h PHE 128 Ca -0.00 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 2hco h PHE 128 Cb 0.73 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2hco h PHE 128 CO 0.00 0.66 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.31 2hco h LEU 129 N -0.26 0.00 -0.80 0.59 3.38 -0.99 -1.26 115.31 115.97 2hco h LEU 129 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2hco h LEU 129 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2hco h LEU 129 CO 0.02 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.91 2hco h ALA 130 N 1.64 1.00 0.00 1.53 0.00 -1.15 -1.22 119.26 121.06 2hco h ALA 130 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 2hco h ALA 130 Cb 0.85 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2hco h ALA 130 CO 0.05 0.00 -1.76 0.43 0.00 0.00 0.00 179.25 177.96 2hco n SER 131 N -2.89 0.78 -0.16 0.00 7.64 -0.58 -2.61 113.62 115.80 2hco n SER 131 Ca 0.02 0.37 -0.11 0.00 1.01 0.00 0.00 58.87 60.17 2hco n SER 131 Cb 0.37 0.06 -0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2hco n SER 131 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2hco h VAL 132 N 0.00 1.27 0.00 0.44 2.07 -0.81 -1.38 116.25 117.85 2hco h VAL 132 Ca -0.31 -1.23 -0.11 0.00 0.82 0.00 0.00 66.70 65.88 2hco h VAL 132 Cb 2.02 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 2hco h VAL 132 CO 0.07 0.42 -0.50 0.28 0.02 0.00 0.00 177.57 177.86 2hco h SER 133 N 0.74 0.00 0.23 0.57 0.02 -1.35 0.11 113.55 113.87 2hco h SER 133 Ca 0.12 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.89 2hco h SER 133 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2hco h SER 133 CO 0.04 0.50 -0.72 0.74 -1.14 0.00 0.00 176.83 176.26 2hco h THR 134 N 0.00 1.37 -0.32 -2.27 2.02 -1.24 -2.03 112.91 110.44 2hco h THR 134 Ca -0.01 -2.11 -0.09 0.00 0.77 0.00 0.00 66.41 64.98 2hco h THR 134 Cb 0.93 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 2hco h THR 134 CO 0.07 0.64 -0.14 0.58 0.37 0.00 0.00 175.52 177.03 2hco h VAL 135 N 0.30 1.29 0.00 3.16 2.07 -0.82 -2.83 116.25 119.42 2hco h VAL 135 Ca -0.03 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2hco h VAL 135 Cb 1.30 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2hco h VAL 135 CO 0.13 0.40 0.00 -0.07 0.02 0.00 0.00 177.57 178.05 2hco h LEU 136 N 0.42 0.00 -3.22 2.57 3.38 -0.58 -2.04 115.31 115.85 2hco h LEU 136 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2hco h LEU 136 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2hco h LEU 136 CO 0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.92 2hco n THR 137 N -2.31 2.22 1.05 0.22 -2.24 -0.78 -4.53 114.28 107.91 2hco n THR 137 Ca 0.01 -1.95 0.13 0.00 -2.27 0.00 0.00 64.05 59.97 2hco n THR 137 Cb 0.20 -0.25 0.37 0.00 -2.10 0.00 0.00 70.33 68.55 2hco n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2hco n SER 138 N -0.66 0.43 0.07 3.42 3.41 -0.77 -2.78 113.62 116.74 2hco n SER 138 Ca 0.20 -0.15 -0.07 0.00 -0.26 0.00 0.00 58.87 58.59 2hco n SER 138 Cb 0.85 0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.94 2hco n SER 138 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2hco h LYS 139 N 0.13 0.29 -0.81 4.33 3.11 -1.82 -3.10 116.57 118.69 2hco h LYS 139 Ca 0.00 -0.22 0.02 0.00 -2.81 0.00 0.00 60.65 57.64 2hco h LYS 139 Cb 0.49 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.72 2hco h LYS 139 CO 0.00 0.85 0.53 1.88 -2.81 0.00 0.00 179.45 179.90 2hco h TYR 140 N 0.20 1.00 -0.01 1.91 0.99 -1.86 -3.52 116.97 115.68 2hco h TYR 140 Ca -0.02 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2hco h TYR 140 Cb 1.20 -0.33 0.00 0.00 1.00 0.00 0.00 36.73 38.60 2hco h TYR 140 CO 0.03 0.60 0.00 0.54 -0.00 0.00 0.00 178.16 179.33