#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbl s HIS 2 N 0.00 0.76 0.07 3.52 5.65 -1.26 -4.89 115.29 119.14 1cbl s HIS 2 Ca 0.00 -1.11 0.03 0.00 0.25 0.00 0.00 55.06 54.24 1cbl s HIS 2 Cb 0.00 -1.14 -0.04 0.00 -1.18 0.00 0.00 32.58 30.22 1cbl s HIS 2 CO 0.00 -0.82 0.05 -0.51 -0.65 0.00 0.00 174.74 172.81 1cbl s LEU 3 N 1.95 3.67 0.48 8.88 1.43 -1.26 -5.09 118.68 128.74 1cbl s LEU 3 Ca 0.08 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 1cbl s LEU 3 Cb -0.16 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.65 1cbl s LEU 3 CO -0.31 0.19 0.86 0.42 0.23 0.00 0.00 176.35 177.73 1cbl s THR 4 N -1.33 4.75 0.46 5.49 -4.23 -1.26 -4.80 115.64 114.71 1cbl s THR 4 Ca 0.27 0.70 0.28 0.00 -1.18 0.00 0.00 61.69 61.76 1cbl s THR 4 Cb -0.12 -3.78 0.47 0.00 1.34 0.00 0.00 72.50 70.42 1cbl s THR 4 CO 0.20 -0.72 1.75 -0.65 -0.54 0.00 0.00 174.62 174.66 1cbl h PRO 5 N 0.74 0.19 -0.04 3.99 0.11 -1.99 0.24 132.00 135.25 1cbl h PRO 5 Ca -0.47 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1cbl h PRO 5 Cb 1.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1cbl h PRO 5 CO 0.63 0.13 -0.80 1.49 -0.21 0.00 0.00 178.00 179.23 1cbl h GLU 6 N 0.20 0.33 -0.03 1.05 4.81 -1.99 -1.04 114.58 117.91 1cbl h GLU 6 Ca 0.63 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1cbl h GLU 6 Cb 2.01 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.46 1cbl h GLU 6 CO -0.20 0.97 -0.20 0.93 -0.73 0.00 0.00 179.01 179.78 1cbl h GLU 7 N 0.21 0.18 -0.22 1.92 5.08 -1.00 -2.35 114.58 118.41 1cbl h GLU 7 Ca -0.04 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1cbl h GLU 7 Cb 1.39 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 1cbl h GLU 7 CO 0.13 0.83 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.72 1cbl h LYS 8 N -0.41 0.02 -0.85 2.33 3.64 -0.96 0.20 116.57 120.53 1cbl h LYS 8 Ca -0.02 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1cbl h LYS 8 Cb 0.88 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.65 1cbl h LYS 8 CO 0.04 0.01 0.56 0.66 -2.27 0.00 0.00 179.45 178.45 1cbl h SER 9 N 0.02 0.95 -0.26 4.20 4.64 -1.25 0.38 113.55 122.23 1cbl h SER 9 Ca 0.11 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1cbl h SER 9 Cb 0.16 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1cbl h SER 9 CO -0.22 0.67 0.07 0.00 -0.87 0.00 0.00 176.83 176.49 1cbl h ALA 10 N 1.33 0.34 0.34 5.18 0.00 -0.94 -1.60 119.26 123.91 1cbl h ALA 10 Ca 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1cbl h ALA 10 Cb -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1cbl h ALA 10 CO -0.09 -0.02 -0.16 0.28 0.00 0.00 0.00 179.25 179.26 1cbl h VAL 11 N 0.25 0.68 0.00 0.00 2.07 -0.04 -2.24 116.25 116.96 1cbl h VAL 11 Ca 0.08 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1cbl h VAL 11 Cb 0.26 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1cbl h VAL 11 CO -0.00 0.01 -0.36 0.71 0.02 0.00 0.00 177.57 177.95 1cbl h THR 12 N -0.48 0.95 -0.46 2.57 1.35 -0.28 -2.19 112.91 114.37 1cbl h THR 12 Ca -0.05 -1.38 -0.12 0.00 -0.55 0.00 0.00 66.41 64.31 1cbl h THR 12 Cb 0.36 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 1cbl h THR 12 CO 0.08 0.35 -0.19 0.00 -0.25 0.00 0.00 175.52 175.50 1cbl h ALA 13 N 1.64 0.64 0.05 6.62 0.00 -1.17 -2.80 119.26 124.24 1cbl h ALA 13 Ca -0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 1cbl h ALA 13 Cb 0.78 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1cbl h ALA 13 CO 0.05 0.61 -1.05 1.25 0.00 0.00 0.00 179.25 180.10 1cbl h LEU 14 N 0.78 0.50 -1.71 0.00 5.85 -1.32 -3.23 115.31 116.18 1cbl h LEU 14 Ca 0.11 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1cbl h LEU 14 Cb 0.77 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1cbl h LEU 14 CO 0.06 1.27 0.20 -0.25 -0.34 0.00 0.00 178.44 179.38 1cbl h TRP 15 N 0.17 0.37 0.00 1.25 2.91 -1.36 -0.42 115.95 118.88 1cbl h TRP 15 Ca -0.10 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.93 1cbl h TRP 15 Cb 1.72 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 30.24 1cbl h TRP 15 CO 0.06 0.24 0.00 0.78 -1.03 0.00 0.00 178.44 178.49 1cbl h GLY 16 N 0.40 0.00 -0.15 2.65 0.00 -1.51 -1.94 103.07 102.52 1cbl h GLY 16 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1cbl h GLY 16 CO -0.02 0.00 -0.34 0.28 0.00 0.00 0.00 176.54 176.45 1cbl n LYS 17 N -2.86 0.93 -2.47 4.80 5.02 -0.17 -4.92 118.16 118.50 1cbl n LYS 17 Ca -0.02 -0.64 -0.42 0.00 -2.02 0.00 0.00 58.31 55.21 1cbl n LYS 17 Cb 0.12 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1cbl n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1cbl s VAL 18 N -2.51 4.21 -1.02 -0.18 1.01 -0.73 -4.97 120.40 116.21 1cbl s VAL 18 Ca 0.22 1.58 -0.17 0.00 0.00 0.00 0.00 61.98 63.61 1cbl s VAL 18 Cb 0.19 -4.01 0.14 0.00 0.00 0.00 0.00 36.38 32.70 1cbl s VAL 18 CO 0.55 0.10 1.22 0.21 0.00 0.00 0.00 175.10 177.17 1cbl s ASN 19 N 1.14 6.77 0.44 3.32 3.84 -1.26 -4.87 114.94 124.33 1cbl s ASN 19 Ca 0.57 -2.34 0.14 0.00 0.21 0.00 0.00 52.86 51.44 1cbl s ASN 19 Cb -0.27 -2.40 1.05 0.00 -0.55 0.00 0.00 41.25 39.08 1cbl s ASN 19 CO 0.27 -0.96 2.00 -0.37 -2.79 0.00 0.00 177.10 175.25 1cbl h VAL 20 N 5.47 0.92 -0.91 -5.21 -1.51 -1.94 0.20 116.25 113.27 1cbl h VAL 20 Ca 0.21 -0.13 0.10 0.00 -1.23 0.00 0.00 66.70 65.65 1cbl h VAL 20 Cb 0.98 0.51 -0.07 0.00 -2.13 0.00 0.00 31.29 30.58 1cbl h VAL 20 CO 1.15 0.07 0.59 0.44 -1.23 0.00 0.00 177.57 178.58 1cbl h ASP 21 N 0.37 0.83 0.00 4.19 5.19 -1.92 0.60 116.42 125.68 1cbl h ASP 21 Ca 0.24 0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.55 1cbl h ASP 21 Cb 0.46 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1cbl h ASP 21 CO -0.06 0.49 -0.83 -0.08 -3.12 0.00 0.00 179.24 175.64 1cbl h GLU 22 N 0.91 0.00 -0.36 3.56 4.81 -1.61 -3.36 114.58 118.54 1cbl h GLU 22 Ca 0.42 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.62 1cbl h GLU 22 Cb 0.41 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1cbl h GLU 22 CO -0.19 0.69 0.09 0.28 -0.73 0.00 0.00 179.01 179.15 1cbl h VAL 23 N -1.00 1.17 -0.17 0.32 2.07 -0.63 -2.59 116.25 115.42 1cbl h VAL 23 Ca -0.20 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1cbl h VAL 23 Cb 0.99 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1cbl h VAL 23 CO -0.12 0.21 0.04 1.23 0.02 0.00 0.00 177.57 178.95 1cbl h GLY 24 N 0.74 0.19 1.27 2.17 0.00 -1.05 -0.62 103.07 105.77 1cbl h GLY 24 Ca 0.12 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 1cbl h GLY 24 CO -0.00 0.01 -0.12 -1.33 0.00 0.00 0.00 176.54 175.09 1cbl h GLY 25 N 0.11 0.92 1.02 4.60 0.00 -1.67 -2.23 103.07 105.83 1cbl h GLY 25 Ca 0.07 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.56 1cbl h GLY 25 CO -0.09 0.66 -0.25 -2.09 0.00 0.00 0.00 176.54 174.76 1cbl h GLU 26 N 0.77 0.81 0.11 4.80 4.57 -1.24 -1.02 114.58 123.37 1cbl h GLU 26 Ca 0.12 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 1cbl h GLU 26 Cb 0.63 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1cbl h GLU 26 CO 0.04 1.02 -0.05 0.00 -1.18 0.00 0.00 179.01 178.84 1cbl h ALA 27 N 0.77 -0.15 -0.48 2.92 0.00 -1.03 0.12 119.26 121.41 1cbl h ALA 27 Ca 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1cbl h ALA 27 Cb 0.82 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1cbl h ALA 27 CO 0.07 -0.46 0.06 1.25 0.00 0.00 0.00 179.25 180.17 1cbl h LEU 28 N -0.40 0.77 -0.29 0.00 5.85 -1.47 -0.67 115.31 119.10 1cbl h LEU 28 Ca -0.01 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1cbl h LEU 28 Cb 0.33 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1cbl h LEU 28 CO 0.02 0.85 0.03 1.23 -0.34 0.00 0.00 178.44 180.24 1cbl h GLY 29 N 0.67 0.53 1.58 3.75 0.00 -1.17 -2.19 103.07 106.24 1cbl h GLY 29 Ca 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1cbl h GLY 29 CO 0.01 0.34 0.16 3.21 0.00 0.00 0.00 176.54 180.26 1cbl h ARG 30 N 0.30 0.54 -0.31 4.80 3.08 -0.64 -1.94 114.38 120.22 1cbl h ARG 30 Ca 0.09 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1cbl h ARG 30 Cb 0.37 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1cbl h ARG 30 CO 0.01 0.45 0.13 1.25 -1.07 0.00 0.00 179.97 180.74 1cbl h LEU 31 N 0.55 0.17 -1.20 3.04 5.85 -0.72 0.72 115.31 123.72 1cbl h LEU 31 Ca 0.14 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1cbl h LEU 31 Cb 0.11 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1cbl h LEU 31 CO -0.01 0.13 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.92 1cbl h LEU 32 N 0.28 0.26 0.06 2.25 3.38 -0.78 0.75 115.31 121.51 1cbl h LEU 32 Ca 0.13 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1cbl h LEU 32 Cb 0.08 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1cbl h LEU 32 CO -0.12 0.50 -0.37 0.58 0.09 0.00 0.00 178.44 179.12 1cbl h VAL 33 N 0.24 1.65 0.03 1.22 2.07 -1.18 -3.32 116.25 116.97 1cbl h VAL 33 Ca 0.04 -2.42 -0.23 0.00 0.82 0.00 0.00 66.70 64.91 1cbl h VAL 33 Cb 0.55 3.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1cbl h VAL 33 CO 0.04 0.65 -1.00 0.58 0.02 0.00 0.00 177.57 177.85 1cbl h VAL 34 N -0.75 1.43 -2.85 2.57 2.07 -0.82 -3.37 116.25 114.53 1cbl h VAL 34 Ca -0.07 -2.59 -0.61 0.00 0.82 0.00 0.00 66.70 64.24 1cbl h VAL 34 Cb 1.27 2.54 -0.41 0.00 -1.52 0.00 0.00 31.29 33.16 1cbl h VAL 34 CO 0.05 0.77 -0.68 -1.22 0.02 0.00 0.00 177.57 176.51 1cbl n TYR 35 N -3.69 2.19 0.30 1.57 4.01 0.25 -4.99 117.16 116.80 1cbl n TYR 35 Ca -0.07 -4.05 0.18 0.00 -0.16 0.00 0.00 57.90 53.81 1cbl n TYR 35 Cb 0.87 -0.40 0.99 0.00 -0.31 0.00 0.00 39.34 40.49 1cbl n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1cbl h PRO 36 N 5.38 0.00 0.00 -0.72 0.13 -1.74 -1.96 132.00 133.09 1cbl h PRO 36 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1cbl h PRO 36 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1cbl h PRO 36 CO 0.63 0.00 -0.09 0.11 -0.23 0.00 0.00 178.00 178.42 1cbl h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.22 115.95 113.46 1cbl h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1cbl h TRP 37 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.44 1cbl h TRP 37 CO 0.00 0.09 0.00 1.79 0.09 0.00 0.00 178.44 180.41 1cbl h THR 38 N 0.00 0.00 -0.20 0.12 1.35 -1.67 -2.76 112.91 109.75 1cbl h THR 38 Ca -0.00 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1cbl h THR 38 Cb 0.38 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1cbl h THR 38 CO 0.01 0.00 0.11 1.56 -0.25 0.00 0.00 175.52 176.96 1cbl h GLN 39 N 0.00 0.26 -0.81 4.72 4.20 -1.61 -2.63 115.11 119.24 1cbl h GLN 39 Ca 0.00 -0.02 0.19 0.00 0.06 0.00 0.00 58.65 58.88 1cbl h GLN 39 Cb 0.29 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 1cbl h GLN 39 CO 0.00 0.19 0.55 0.07 -0.67 0.00 0.00 178.83 178.97 1cbl h ARG 40 N 0.27 0.28 0.00 1.46 0.11 -1.71 0.09 114.38 114.88 1cbl h ARG 40 Ca 0.07 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1cbl h ARG 40 Cb -0.00 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.01 1cbl h ARG 40 CO -0.01 0.19 0.00 1.19 0.10 0.00 0.00 179.97 181.43 1cbl n PHE 41 N -4.45 0.73 -1.33 4.08 3.72 -0.99 -3.43 117.46 115.79 1cbl n PHE 41 Ca 0.17 0.27 0.08 0.00 -0.05 0.00 0.00 57.45 57.92 1cbl n PHE 41 Cb 0.68 -0.94 0.13 0.00 -0.94 0.00 0.00 39.48 38.41 1cbl n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1cbl n PHE 42 N -2.15 0.00 0.25 1.38 3.72 -0.03 -4.82 117.46 115.81 1cbl n PHE 42 Ca 0.03 -0.93 0.18 0.00 -0.05 0.00 0.00 57.45 56.68 1cbl n PHE 42 Cb 0.26 -0.15 0.89 0.00 -0.94 0.00 0.00 39.48 39.53 1cbl n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1cbl h GLU 43 N 0.20 0.00 -0.08 -1.08 4.11 -1.46 0.98 114.58 117.25 1cbl h GLU 43 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1cbl h GLU 43 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1cbl h GLU 43 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.95 1cbl n SER 44 N -3.50 0.63 -0.20 3.06 3.41 -1.26 -3.88 113.62 111.88 1cbl n SER 44 Ca 0.00 -1.65 0.14 0.00 -0.26 0.00 0.00 58.87 57.10 1cbl n SER 44 Cb 0.31 -0.05 0.55 0.00 -0.26 0.00 0.00 64.21 64.76 1cbl n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1cbl n PHE 45 N -0.31 0.00 0.00 7.33 3.01 0.34 -5.04 117.46 122.79 1cbl n PHE 45 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1cbl n PHE 45 Cb 0.15 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1cbl n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1cbl n GLY 46 N 1.27 0.37 3.64 1.37 0.00 -1.25 -4.80 105.19 105.78 1cbl n GLY 46 Ca 0.15 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1cbl n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cbl s ASP 47 N -4.00 6.71 -0.12 1.61 2.15 -1.26 -4.82 116.67 116.94 1cbl s ASP 47 Ca 0.00 1.29 0.15 0.00 0.43 0.00 0.00 52.55 54.43 1cbl s ASP 47 Cb 0.00 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.35 1cbl s ASP 47 CO 0.00 -1.03 1.14 0.18 -0.17 0.00 0.00 175.17 175.29 1cbl n LEU 48 N 7.46 2.02 -0.14 -1.34 4.77 -1.26 -4.23 117.00 124.29 1cbl n LEU 48 Ca 0.15 -2.88 -0.10 0.00 -0.03 0.00 0.00 56.01 53.14 1cbl n LEU 48 Cb 0.46 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1cbl n LEU 48 CO 0.62 0.75 0.70 0.77 -1.33 0.00 0.00 177.39 178.89 1cbl h SER 49 N 0.19 0.94 -2.21 -1.43 4.64 -1.92 -3.43 113.55 110.34 1cbl h SER 49 Ca -0.01 -0.34 -0.58 0.00 -0.47 0.00 0.00 61.79 60.38 1cbl h SER 49 Cb 1.09 -0.26 -0.14 0.00 -0.31 0.00 0.00 62.40 62.78 1cbl h SER 49 CO 0.00 1.11 -0.67 0.42 -0.87 0.00 0.00 176.83 176.82 1cbl s THR 50 N -4.68 2.06 0.33 2.95 -4.23 -1.26 -5.00 115.64 105.80 1cbl s THR 50 Ca -0.11 -2.17 0.04 0.00 -1.18 0.00 0.00 61.69 58.27 1cbl s THR 50 Cb 0.13 -2.61 0.30 0.00 1.34 0.00 0.00 72.50 71.65 1cbl s THR 50 CO 0.86 -0.21 1.89 -0.65 -0.54 0.00 0.00 174.62 175.96 1cbl h PRO 51 N 2.08 0.84 -0.34 3.99 0.11 -1.99 -0.60 132.00 136.09 1cbl h PRO 51 Ca -0.42 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 1cbl h PRO 51 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1cbl h PRO 51 CO 0.70 0.56 -0.18 -0.44 -0.21 0.00 0.00 178.00 178.42 1cbl h ASP 52 N 0.87 0.75 -0.19 -2.05 3.32 -1.98 -0.32 116.42 116.82 1cbl h ASP 52 Ca 0.42 -0.42 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1cbl h ASP 52 Cb 0.43 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 1cbl h ASP 52 CO -0.18 1.00 -0.16 0.00 -1.72 0.00 0.00 179.24 178.18 1cbl h ALA 53 N 0.77 -0.03 0.64 3.45 0.00 -1.48 -2.14 119.26 120.48 1cbl h ALA 53 Ca 0.07 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1cbl h ALA 53 Cb 0.73 0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1cbl h ALA 53 CO 0.05 -0.59 -0.31 0.28 0.00 0.00 0.00 179.25 178.68 1cbl h VAL 54 N -0.17 0.00 -0.42 0.00 2.07 -1.03 -2.85 116.25 113.84 1cbl h VAL 54 Ca 0.12 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1cbl h VAL 54 Cb 0.34 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 1cbl h VAL 54 CO -0.29 0.00 -0.02 0.24 0.02 0.00 0.00 177.57 177.51 1cbl h MET 55 N -1.02 0.08 -0.01 1.57 2.86 -1.02 -1.97 114.93 115.42 1cbl h MET 55 Ca -0.09 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1cbl h MET 55 Cb 0.66 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1cbl h MET 55 CO 0.15 0.05 -0.07 0.41 1.06 0.00 0.00 176.91 178.51 1cbl n GLY 56 N -1.29 -0.45 3.68 8.32 0.00 -0.81 -4.75 105.19 109.89 1cbl n GLY 56 Ca 0.03 -0.37 -0.46 0.00 0.00 0.00 0.00 46.02 45.22 1cbl n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cbl n ASN 57 N -0.38 3.49 0.05 1.61 2.85 -0.74 -4.87 115.26 117.26 1cbl n ASN 57 Ca 0.18 1.00 0.02 0.00 -0.11 0.00 0.00 54.58 55.66 1cbl n ASN 57 Cb 0.30 -1.42 0.37 0.00 1.24 0.00 0.00 39.78 40.27 1cbl n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1cbl h PRO 58 N 8.29 0.42 -0.06 1.20 0.11 -1.90 -1.09 132.00 138.97 1cbl h PRO 58 Ca -0.47 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.40 1cbl h PRO 58 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1cbl h PRO 58 CO 0.93 0.43 -0.67 0.87 -0.21 0.00 0.00 178.00 179.35 1cbl h LYS 59 N 0.41 0.28 -0.04 1.05 1.79 -1.89 -0.69 116.57 117.48 1cbl h LYS 59 Ca 0.09 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1cbl h LYS 59 Cb 0.24 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1cbl h LYS 59 CO 0.00 0.85 0.00 0.28 -1.08 0.00 0.00 179.45 179.51 1cbl h VAL 60 N 0.20 1.23 -0.43 0.50 2.07 -1.74 -0.55 116.25 117.52 1cbl h VAL 60 Ca -0.02 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1cbl h VAL 60 Cb 1.21 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1cbl h VAL 60 CO 0.11 0.18 0.28 0.11 0.02 0.00 0.00 177.57 178.27 1cbl h LYS 61 N -0.21 0.56 -0.45 1.57 1.57 -1.12 -0.91 116.57 117.59 1cbl h LYS 61 Ca 0.01 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1cbl h LYS 61 Cb 0.29 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1cbl h LYS 61 CO 0.00 0.37 0.12 0.00 -0.57 0.00 0.00 179.45 179.37 1cbl h ALA 62 N 1.16 0.59 -0.59 3.86 0.00 -1.09 -2.67 119.26 120.52 1cbl h ALA 62 Ca 0.16 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1cbl h ALA 62 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1cbl h ALA 62 CO -0.04 0.26 0.01 1.25 0.00 0.00 0.00 179.25 180.73 1cbl h HIS 63 N 0.59 1.11 -0.40 0.00 -0.00 -0.90 -2.79 115.15 112.76 1cbl h HIS 63 Ca 0.14 -0.18 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 1cbl h HIS 63 Cb 0.30 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 1cbl h HIS 63 CO 0.02 0.98 0.19 0.78 -0.00 0.00 0.00 177.93 179.89 1cbl h GLY 64 N 1.00 0.60 1.40 5.26 0.00 -1.01 0.47 103.07 110.79 1cbl h GLY 64 Ca 0.17 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 1cbl h GLY 64 CO 0.03 0.26 -0.31 1.70 0.00 0.00 0.00 176.54 178.22 1cbl h LYS 65 N 0.56 0.68 0.45 4.80 3.11 -1.22 -1.50 116.57 123.46 1cbl h LYS 65 Ca 0.14 -0.30 -0.02 0.00 -2.81 0.00 0.00 60.65 57.66 1cbl h LYS 65 Cb 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1cbl h LYS 65 CO -0.02 0.90 -0.22 0.87 -2.81 0.00 0.00 179.45 178.17 1cbl h LYS 66 N 0.58 -0.59 -0.55 1.90 1.57 -0.88 -0.45 116.57 118.15 1cbl h LYS 66 Ca 0.07 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.99 1cbl h LYS 66 Cb 0.81 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 33.16 1cbl h LYS 66 CO 0.07 -0.33 0.04 0.28 -0.57 0.00 0.00 179.45 178.94 1cbl h VAL 67 N -0.75 0.60 -0.09 0.50 2.07 -0.93 -1.87 116.25 115.78 1cbl h VAL 67 Ca -0.06 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1cbl h VAL 67 Cb 0.53 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1cbl h VAL 67 CO 0.10 0.03 -0.26 0.25 0.02 0.00 0.00 177.57 177.72 1cbl h LEU 68 N 0.16 0.15 -0.38 2.57 5.85 -1.18 -0.80 115.31 121.68 1cbl h LEU 68 Ca 0.28 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1cbl h LEU 68 Cb 0.43 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1cbl h LEU 68 CO -0.43 0.42 0.11 1.23 -0.34 0.00 0.00 178.44 179.43 1cbl h GLY 69 N 0.92 0.65 1.04 3.75 0.00 -0.34 -1.44 103.07 107.65 1cbl h GLY 69 Ca 0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1cbl h GLY 69 CO 0.04 0.36 0.38 0.00 0.00 0.00 0.00 176.54 177.32 1cbl h ALA 70 N 0.96 1.08 -0.50 3.60 0.00 -0.75 -2.47 119.26 121.19 1cbl h ALA 70 Ca 0.12 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1cbl h ALA 70 Cb 0.27 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1cbl h ALA 70 CO -0.00 0.67 0.32 0.35 0.00 0.00 0.00 179.25 180.59 1cbl h PHE 71 N 1.20 0.61 -0.82 0.00 3.04 -0.90 -1.38 116.94 118.70 1cbl h PHE 71 Ca 0.29 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.30 1cbl h PHE 71 Cb 0.15 -0.20 -0.05 0.00 2.56 0.00 0.00 35.95 38.41 1cbl h PHE 71 CO 0.02 0.38 0.54 0.77 -2.02 0.00 0.00 178.31 177.99 1cbl h SER 72 N 0.66 0.82 -0.19 0.41 0.02 -0.82 -1.73 113.55 112.71 1cbl h SER 72 Ca 0.19 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.99 1cbl h SER 72 Cb -0.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1cbl h SER 72 CO -0.05 0.54 -0.42 -0.78 -1.14 0.00 0.00 176.83 174.98 1cbl h ASP 73 N 0.94 0.79 -0.81 3.07 3.58 -1.22 -2.29 116.42 120.48 1cbl h ASP 73 Ca 0.34 -0.37 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1cbl h ASP 73 Cb 0.16 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 1cbl h ASP 73 CO -0.12 1.11 0.43 1.23 -2.88 0.00 0.00 179.24 179.01 1cbl h GLY 74 N 0.92 1.22 1.99 -0.78 0.00 -0.60 -2.53 103.07 103.29 1cbl h GLY 74 Ca 0.04 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1cbl h GLY 74 CO 0.09 0.54 -0.02 1.41 0.00 0.00 0.00 176.54 178.56 1cbl h LEU 75 N 1.13 0.01 0.00 3.11 3.38 -0.80 -2.03 115.31 120.11 1cbl h LEU 75 Ca 0.28 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1cbl h LEU 75 Cb 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1cbl h LEU 75 CO -0.04 0.03 -0.39 0.00 0.09 0.00 0.00 178.44 178.12 1cbl n ALA 76 N -2.54 2.94 -2.48 1.53 0.00 -0.94 -4.12 120.51 114.91 1cbl n ALA 76 Ca -0.03 -0.23 -0.17 0.00 0.00 0.00 0.00 53.44 53.02 1cbl n ALA 76 Cb 0.11 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 18.33 1cbl n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cbl n HIS 77 N -1.82 2.31 0.31 0.00 8.25 -0.78 -4.88 115.22 118.60 1cbl n HIS 77 Ca 0.05 -2.64 0.18 0.00 -0.26 0.00 0.00 57.72 55.05 1cbl n HIS 77 Cb 0.39 -0.24 1.01 0.00 1.12 0.00 0.00 29.99 32.26 1cbl n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1cbl h LEU 78 N 2.59 0.00 0.00 2.41 3.38 -1.66 -0.04 115.31 121.99 1cbl h LEU 78 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1cbl h LEU 78 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1cbl h LEU 78 CO 0.62 0.00 -0.02 -0.90 0.09 0.00 0.00 178.44 178.23 1cbl n ASP 79 N -3.60 0.40 -2.84 -0.43 5.75 -1.26 -4.23 116.55 110.34 1cbl n ASP 79 Ca -0.03 0.51 -0.11 0.00 -0.01 0.00 0.00 54.79 55.16 1cbl n ASP 79 Cb 0.09 -0.61 0.05 0.00 -1.03 0.00 0.00 41.12 39.62 1cbl n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1cbl n ASN 80 N -1.87 -0.31 -0.07 -1.12 4.05 -0.04 -4.95 115.26 110.96 1cbl n ASN 80 Ca 0.06 -2.97 -0.03 0.00 0.45 0.00 0.00 54.58 52.09 1cbl n ASN 80 Cb 0.38 0.34 0.20 0.00 1.23 0.00 0.00 39.78 41.93 1cbl n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1cbl h LEU 81 N 2.78 0.66 -0.46 1.20 3.38 -1.70 0.12 115.31 121.30 1cbl h LEU 81 Ca -0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1cbl h LEU 81 Cb 1.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1cbl h LEU 81 CO 0.29 0.74 0.22 0.50 0.09 0.00 0.00 178.44 180.29 1cbl h LYS 82 N 0.65 0.67 0.33 1.13 3.64 -1.90 0.34 116.57 121.43 1cbl h LYS 82 Ca 0.13 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1cbl h LYS 82 Cb 0.42 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1cbl h LYS 82 CO 0.02 0.57 -0.16 0.78 -2.27 0.00 0.00 179.45 178.39 1cbl h GLY 83 N 0.61 -0.46 0.39 5.01 0.00 -1.86 -1.69 103.07 105.07 1cbl h GLY 83 Ca 0.16 0.17 0.17 0.00 0.00 0.00 0.00 47.33 47.83 1cbl h GLY 83 CO -0.02 -0.17 0.59 -0.84 0.00 0.00 0.00 176.54 176.10 1cbl h THR 84 N -0.70 0.78 -0.66 4.70 2.02 -0.72 -1.77 112.91 116.56 1cbl h THR 84 Ca -0.05 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1cbl h THR 84 Cb 0.48 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1cbl h THR 84 CO 0.07 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.57 1cbl n PHE 85 N -4.59 1.06 -0.18 3.16 3.72 0.10 -4.66 117.46 116.07 1cbl n PHE 85 Ca 0.19 -0.54 -0.04 0.00 -0.05 0.00 0.00 57.45 57.01 1cbl n PHE 85 Cb 0.54 -0.07 0.02 0.00 -0.94 0.00 0.00 39.48 39.03 1cbl n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cbl h ALA 86 N 3.94 0.09 0.03 4.37 0.00 -0.37 0.68 119.26 128.01 1cbl h ALA 86 Ca 0.00 0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.87 1cbl h ALA 86 Cb 1.09 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1cbl h ALA 86 CO 0.07 -0.60 -1.00 1.79 0.00 0.00 0.00 179.25 179.51 1cbl h THR 87 N -0.13 1.57 -0.33 0.00 1.35 -1.83 -2.72 112.91 110.82 1cbl h THR 87 Ca 0.24 -2.98 -0.11 0.00 -0.55 0.00 0.00 66.41 63.02 1cbl h THR 87 Cb 0.52 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.63 1cbl h THR 87 CO -0.63 0.86 -0.25 -0.07 -0.25 0.00 0.00 175.52 175.18 1cbl h LEU 88 N 0.06 0.67 -0.40 3.87 3.38 -1.72 -2.02 115.31 119.15 1cbl h LEU 88 Ca -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1cbl h LEU 88 Cb 1.70 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 1cbl h LEU 88 CO 0.15 0.90 0.21 -1.28 0.09 0.00 0.00 178.44 178.51 1cbl h SER 89 N 0.57 0.50 -0.61 -0.43 0.87 0.46 -1.70 113.55 113.20 1cbl h SER 89 Ca 0.08 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1cbl h SER 89 Cb 0.73 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1cbl h SER 89 CO 0.06 0.45 0.39 -0.33 -0.53 0.00 0.00 176.83 176.86 1cbl h GLU 90 N 0.51 0.76 -0.08 2.24 5.08 -1.30 -1.82 114.58 119.97 1cbl h GLU 90 Ca 0.14 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1cbl h GLU 90 Cb 0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1cbl h GLU 90 CO -0.02 0.50 -0.06 1.25 -1.00 0.00 0.00 179.01 179.68 1cbl h LEU 91 N 0.78 -0.18 -0.41 1.33 5.85 -1.15 -1.74 115.31 119.80 1cbl h LEU 91 Ca 0.24 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.82 1cbl h LEU 91 Cb -0.03 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1cbl h LEU 91 CO -0.08 -0.08 -0.60 0.45 -0.34 0.00 0.00 178.44 177.80 1cbl h HIS 92 N -0.06 0.81 0.00 1.25 3.86 -1.09 -0.08 115.15 119.84 1cbl h HIS 92 Ca 0.05 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.94 1cbl h HIS 92 Cb 0.14 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1cbl h HIS 92 CO -0.16 1.07 -0.09 0.00 0.86 0.00 0.00 177.93 179.61 1cbl h ASP 94 N -1.00 0.34 0.00 0.00 3.32 -1.46 -3.28 116.42 114.34 1cbl h ASP 94 Ca -0.02 -0.81 -0.22 0.00 0.02 0.00 0.00 57.03 56.00 1cbl h ASP 94 Cb 0.58 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1cbl h ASP 94 CO -0.01 1.10 -1.45 0.29 -1.72 0.00 0.00 179.24 177.46 1cbl n LYS 95 N -4.37 0.54 0.11 3.56 4.76 -0.77 -4.61 118.16 117.38 1cbl n LYS 95 Ca -0.10 0.42 -0.03 0.00 -2.87 0.00 0.00 58.31 55.73 1cbl n LYS 95 Cb 0.60 -1.62 0.05 0.00 -1.84 0.00 0.00 35.03 32.21 1cbl n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cbl h LEU 96 N -1.00 0.00 -1.35 -0.35 3.38 -1.10 -3.48 115.31 111.41 1cbl h LEU 96 Ca -0.33 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.28 1cbl h LEU 96 Cb 1.19 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.10 1cbl h LEU 96 CO -0.20 0.74 -0.74 1.41 0.09 0.00 0.00 178.44 179.75 1cbl n HIS 97 N -3.51 -2.46 -2.59 1.13 8.25 0.71 -4.94 115.22 111.81 1cbl n HIS 97 Ca -0.00 0.97 -0.42 0.00 -0.26 0.00 0.00 57.72 58.00 1cbl n HIS 97 Cb 0.76 -5.06 -0.03 0.00 1.12 0.00 0.00 29.99 26.78 1cbl n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1cbl s VAL 98 N -3.35 4.55 0.27 1.59 1.01 0.05 -4.98 120.40 119.54 1cbl s VAL 98 Ca 0.23 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.73 1cbl s VAL 98 Cb -0.10 -4.18 -0.12 0.00 0.00 0.00 0.00 36.38 31.98 1cbl s VAL 98 CO 0.73 0.05 1.58 -0.67 0.00 0.00 0.00 175.10 176.80 1cbl n ASP 99 N 4.66 3.67 -0.03 3.32 -0.08 -1.26 -4.80 116.55 122.02 1cbl n ASP 99 Ca 0.09 1.13 0.22 0.00 -1.51 0.00 0.00 54.79 54.72 1cbl n ASP 99 Cb 0.48 -1.56 0.71 0.00 2.34 0.00 0.00 41.12 43.09 1cbl n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1cbl h PRO 100 N 5.04 0.00 -0.00 -0.67 0.11 -1.97 0.09 132.00 134.60 1cbl h PRO 100 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1cbl h PRO 100 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1cbl h PRO 100 CO 0.82 0.00 -0.27 1.49 -0.21 0.00 0.00 178.00 179.83 1cbl h GLU 101 N 0.00 0.00 -0.04 1.05 4.57 -1.99 -2.24 114.58 115.93 1cbl h GLU 101 Ca 0.29 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.37 1cbl h GLU 101 Cb 1.20 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1cbl h GLU 101 CO -0.00 0.27 -0.42 -0.91 -1.18 0.00 0.00 179.01 176.77 1cbl h ASN 102 N 0.00 0.09 -0.35 1.04 2.35 -1.34 -0.14 115.58 117.24 1cbl h ASN 102 Ca -0.00 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 1cbl h ASN 102 Cb 0.48 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1cbl h ASN 102 CO 0.04 0.50 -0.15 -0.26 -1.65 0.00 0.00 177.43 175.91 1cbl h PHE 103 N 0.07 0.90 -0.44 1.19 0.04 -1.45 -0.84 116.94 116.41 1cbl h PHE 103 Ca 0.00 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.53 1cbl h PHE 103 Cb 0.78 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 1cbl h PHE 103 CO 0.00 0.90 0.02 0.00 -0.60 0.00 0.00 178.31 178.64 1cbl h ARG 104 N 0.72 0.76 -0.34 1.51 3.08 -1.21 -1.99 114.38 116.91 1cbl h ARG 104 Ca 0.11 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1cbl h ARG 104 Cb 0.65 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1cbl h ARG 104 CO 0.05 0.81 0.22 -0.07 -1.07 0.00 0.00 179.97 179.91 1cbl h LEU 105 N 0.60 0.38 -0.93 3.04 3.38 -0.77 -1.82 115.31 119.19 1cbl h LEU 105 Ca 0.13 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1cbl h LEU 105 Cb 0.45 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1cbl h LEU 105 CO 0.02 0.28 0.27 0.25 0.09 0.00 0.00 178.44 179.35 1cbl h LEU 106 N 0.45 0.96 -0.40 1.67 5.85 -1.08 -0.88 115.31 121.89 1cbl h LEU 106 Ca 0.13 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1cbl h LEU 106 Cb -0.05 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.67 1cbl h LEU 106 CO -0.03 0.86 0.02 1.23 -0.34 0.00 0.00 178.44 180.19 1cbl h GLY 107 N 1.08 0.42 1.47 3.75 0.00 -1.06 0.18 103.07 108.91 1cbl h GLY 107 Ca 0.24 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.48 1cbl h GLY 107 CO -0.02 -0.08 -0.27 3.43 0.00 0.00 0.00 176.54 179.61 1cbl h ASN 108 N 0.13 0.62 -0.43 0.19 2.35 -0.93 -2.31 115.58 115.21 1cbl h ASN 108 Ca 0.19 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1cbl h ASN 108 Cb 0.26 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1cbl h ASN 108 CO -0.30 0.86 0.00 0.58 -1.65 0.00 0.00 177.43 176.92 1cbl h VAL 109 N 0.53 1.26 -0.86 2.81 2.07 -0.55 -2.49 116.25 119.01 1cbl h VAL 109 Ca 0.07 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.61 1cbl h VAL 109 Cb 0.73 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1cbl h VAL 109 CO 0.06 0.35 0.54 0.25 0.02 0.00 0.00 177.57 178.79 1cbl h LEU 110 N 0.59 0.88 -0.27 2.57 5.85 -0.77 -0.03 115.31 124.13 1cbl h LEU 110 Ca 0.12 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1cbl h LEU 110 Cb 0.48 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1cbl h LEU 110 CO 0.02 0.59 0.14 0.58 -0.34 0.00 0.00 178.44 179.43 1cbl h VAL 111 N 1.03 1.13 -0.94 1.05 2.07 -1.21 -1.27 116.25 118.12 1cbl h VAL 111 Ca 0.36 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1cbl h VAL 111 Cb 0.08 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1cbl h VAL 111 CO -0.14 0.13 0.61 0.00 0.02 0.00 0.00 177.57 178.20 1cbl h VAL 113 N 1.28 1.25 -0.61 0.00 2.07 -0.67 -1.68 116.25 117.89 1cbl h VAL 113 Ca 0.34 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1cbl h VAL 113 Cb -0.13 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1cbl h VAL 113 CO -0.07 0.34 0.25 -0.07 0.02 0.00 0.00 177.57 178.04 1cbl h LEU 114 N 0.96 0.84 -0.34 2.57 3.38 -0.87 -0.72 115.31 121.14 1cbl h LEU 114 Ca 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1cbl h LEU 114 Cb 0.33 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1cbl h LEU 114 CO -0.00 0.78 0.19 0.00 0.09 0.00 0.00 178.44 179.49 1cbl h ALA 115 N 1.10 0.43 -0.47 1.53 0.00 -1.10 -0.06 119.26 120.69 1cbl h ALA 115 Ca 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1cbl h ALA 115 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1cbl h ALA 115 CO -0.02 -0.05 0.16 1.25 0.00 0.00 0.00 179.25 180.59 1cbl h HIS 116 N 0.43 0.69 0.21 0.00 -0.00 -0.98 0.74 115.15 116.25 1cbl h HIS 116 Ca 0.12 -0.04 -0.35 0.00 -0.00 0.00 0.00 60.37 60.10 1cbl h HIS 116 Cb 0.05 -0.21 0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1cbl h HIS 116 CO -0.03 0.56 -1.65 1.25 -0.00 0.00 0.00 177.93 178.06 1cbl h HIS 117 N 0.68 0.82 -0.01 5.26 6.17 -0.96 -3.39 115.15 123.72 1cbl h HIS 117 Ca 0.16 -0.60 0.00 0.00 0.71 0.00 0.00 60.37 60.64 1cbl h HIS 117 Cb 0.18 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.08 1cbl h HIS 117 CO 0.01 1.63 -0.67 1.19 0.71 0.00 0.00 177.93 180.81 1cbl n PHE 118 N -3.64 0.00 0.00 5.26 3.72 -0.05 -5.02 117.46 117.73 1cbl n PHE 118 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 1cbl n PHE 118 Cb 1.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.63 1cbl n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cbl n GLY 119 N 1.45 2.28 0.40 1.37 0.00 0.25 -1.69 105.19 109.25 1cbl n GLY 119 Ca 0.07 0.26 0.19 0.00 0.00 0.00 0.00 46.02 46.54 1cbl n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cbl h LYS 120 N 0.00 0.40 0.00 1.61 2.10 -1.96 -1.44 116.57 117.28 1cbl h LYS 120 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1cbl h LYS 120 Cb 0.00 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 1cbl h LYS 120 CO 0.00 0.26 0.00 1.49 -2.00 0.00 0.00 179.45 179.20 1cbl h GLU 121 N 0.41 0.00 -4.41 0.07 4.81 -1.73 -3.34 114.58 110.38 1cbl h GLU 121 Ca 0.47 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.94 1cbl h GLU 121 Cb 1.16 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.33 1cbl h GLU 121 CO -0.18 0.00 1.10 0.12 -0.73 0.00 0.00 179.01 179.32 1cbl s PHE 122 N -3.61 3.73 0.76 0.92 5.36 -0.54 -4.94 117.98 119.65 1cbl s PHE 122 Ca 0.02 -2.30 -0.11 0.00 -0.96 0.00 0.00 56.93 53.58 1cbl s PHE 122 Cb 0.09 -4.18 0.06 0.00 -0.34 0.00 0.00 43.02 38.65 1cbl s PHE 122 CO 0.52 -1.27 1.12 0.95 -1.46 0.00 0.00 175.22 175.09 1cbl s THR 123 N 0.75 2.48 0.17 0.12 -4.23 -1.26 -4.75 115.64 108.93 1cbl s THR 123 Ca 0.39 0.08 -0.17 0.00 -1.18 0.00 0.00 61.69 60.81 1cbl s THR 123 Cb -0.05 -3.14 0.11 0.00 1.34 0.00 0.00 72.50 70.76 1cbl s THR 123 CO -0.02 -0.18 1.65 -0.65 -0.54 0.00 0.00 174.62 174.88 1cbl h PRO 124 N -0.86 -0.04 -0.00 3.99 0.11 -1.94 0.49 132.00 133.75 1cbl h PRO 124 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1cbl h PRO 124 Cb 1.31 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1cbl h PRO 124 CO 0.64 -0.03 -0.35 -1.00 -0.21 0.00 0.00 178.00 177.05 1cbl h PRO 125 N -0.04 0.00 -0.15 1.05 0.13 -1.98 0.22 132.00 131.24 1cbl h PRO 125 Ca 0.20 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.29 1cbl h PRO 125 Cb 0.35 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1cbl h PRO 125 CO -0.45 0.36 -0.08 0.28 -0.23 0.00 0.00 178.00 177.88 1cbl h VAL 126 N 0.00 1.32 -0.84 1.56 2.07 -1.40 -1.33 116.25 117.64 1cbl h VAL 126 Ca -0.00 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1cbl h VAL 126 Cb 0.63 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 1cbl h VAL 126 CO 0.05 0.33 0.49 -0.61 0.02 0.00 0.00 177.57 177.85 1cbl h GLN 127 N -0.03 1.15 -0.86 1.57 4.15 0.48 -1.18 115.11 120.39 1cbl h GLN 127 Ca 0.03 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.36 1cbl h GLN 127 Cb 0.55 -0.24 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 1cbl h GLN 127 CO 0.02 0.82 0.56 0.00 -1.93 0.00 0.00 178.83 178.30 1cbl h ALA 128 N 1.27 1.11 -0.45 3.38 0.00 -0.47 -0.22 119.26 123.88 1cbl h ALA 128 Ca 0.30 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1cbl h ALA 128 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1cbl h ALA 128 CO -0.05 0.43 -0.23 0.00 0.00 0.00 0.00 179.25 179.40 1cbl h ALA 129 N 1.34 0.64 -0.69 0.00 0.00 -0.63 -2.94 119.26 116.98 1cbl h ALA 129 Ca 0.33 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1cbl h ALA 129 Cb -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1cbl h ALA 129 CO -0.10 0.64 0.30 1.88 0.00 0.00 0.00 179.25 181.97 1cbl h TYR 130 N 0.80 1.03 -0.83 0.00 0.05 -0.89 -2.32 116.97 114.81 1cbl h TYR 130 Ca 0.10 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.85 1cbl h TYR 130 Cb 0.81 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 38.19 1cbl h TYR 130 CO 0.06 0.78 0.53 0.37 -1.05 0.00 0.00 178.16 178.85 1cbl h GLN 131 N 0.97 1.00 -0.40 4.88 5.75 -0.97 -1.63 115.11 124.71 1cbl h GLN 131 Ca 0.23 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1cbl h GLN 131 Cb 0.17 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 1cbl h GLN 131 CO -0.02 0.66 0.22 0.87 -2.65 0.00 0.00 178.83 177.91 1cbl h LYS 132 N 1.03 0.55 0.03 1.69 6.56 -1.29 -2.06 116.57 123.08 1cbl h LYS 132 Ca 0.34 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.86 1cbl h LYS 132 Cb 0.03 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 1cbl h LYS 132 CO -0.12 0.44 -0.01 0.28 -2.06 0.00 0.00 179.45 177.98 1cbl h VAL 133 N 0.52 1.04 -0.54 0.50 2.07 -1.06 -1.36 116.25 117.41 1cbl h VAL 133 Ca 0.14 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1cbl h VAL 133 Cb 0.04 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1cbl h VAL 133 CO -0.02 0.05 0.18 0.58 0.02 0.00 0.00 177.57 178.37 1cbl h VAL 134 N -0.12 1.21 -0.24 2.57 2.07 -1.27 0.62 116.25 121.09 1cbl h VAL 134 Ca -0.00 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.68 1cbl h VAL 134 Cb 0.11 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1cbl h VAL 134 CO 0.01 0.27 -0.41 0.00 0.02 0.00 0.00 177.57 177.46 1cbl h ALA 135 N 1.42 0.84 -0.23 1.67 0.00 -1.34 -1.15 119.26 120.46 1cbl h ALA 135 Ca 0.18 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1cbl h ALA 135 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1cbl h ALA 135 CO -0.01 0.65 -0.10 0.78 0.00 0.00 0.00 179.25 180.57 1cbl h GLY 136 N 1.05 0.51 0.87 0.00 0.00 -0.02 -1.93 103.07 103.55 1cbl h GLY 136 Ca 0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1cbl h GLY 136 CO 0.08 0.41 0.05 -2.08 0.00 0.00 0.00 176.54 175.00 1cbl h VAL 137 N 0.19 1.22 -0.87 4.60 2.07 0.36 -2.02 116.25 121.81 1cbl h VAL 137 Ca 0.05 -0.74 0.12 0.00 0.82 0.00 0.00 66.70 66.95 1cbl h VAL 137 Cb 0.59 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 1cbl h VAL 137 CO 0.03 0.24 0.49 0.00 0.02 0.00 0.00 177.57 178.35 1cbl h ALA 138 N 0.87 1.28 -0.10 1.67 0.00 -1.19 -0.52 119.26 121.28 1cbl h ALA 138 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1cbl h ALA 138 Cb 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1cbl h ALA 138 CO 0.00 0.05 0.03 -0.97 0.00 0.00 0.00 179.25 178.36 1cbl h ASN 139 N 0.77 0.15 -0.47 0.00 -0.73 -1.18 -1.14 115.58 112.97 1cbl h ASN 139 Ca 0.44 -0.22 -0.06 0.00 1.87 0.00 0.00 56.30 58.33 1cbl h ASN 139 Cb 0.50 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 1cbl h ASN 139 CO -0.29 0.33 0.09 0.00 -0.37 0.00 0.00 177.43 177.19 1cbl h ALA 140 N 0.82 1.15 -0.01 1.57 0.00 -0.95 -2.61 119.26 119.24 1cbl h ALA 140 Ca 0.03 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1cbl h ALA 140 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1cbl h ALA 140 CO -0.00 0.56 -0.77 -0.07 0.00 0.00 0.00 179.25 178.97 1cbl h LEU 141 N 0.80 0.10 -1.36 0.00 3.38 -0.97 -3.16 115.31 114.10 1cbl h LEU 141 Ca 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1cbl h LEU 141 Cb 0.36 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1cbl h LEU 141 CO 0.01 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.36 1cbl n ALA 142 N -2.42 2.46 -0.22 1.53 0.00 -0.44 -4.45 120.51 116.97 1cbl n ALA 142 Ca -0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 53.44 52.75 1cbl n ALA 142 Cb 0.74 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 19.23 1cbl n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cbl h HIS 143 N 2.28 -0.65 0.00 0.00 6.17 -1.44 -0.77 115.15 120.75 1cbl h HIS 143 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.15 1cbl h HIS 143 Cb 0.52 0.38 0.00 0.00 2.52 0.00 0.00 27.41 30.83 1cbl h HIS 143 CO 0.22 -0.34 0.00 1.63 0.71 0.00 0.00 177.93 180.15 1cbl n LYS 144 N -5.45 0.14 0.04 5.26 4.76 -1.26 -0.59 118.16 121.06 1cbl n LYS 144 Ca 0.06 0.63 0.12 0.00 -2.87 0.00 0.00 58.31 56.25 1cbl n LYS 144 Cb 0.35 -1.95 0.14 0.00 -1.84 0.00 0.00 35.03 31.73 1cbl n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1cbl n TYR 145 N -2.25 0.40 1.87 2.13 4.01 -0.30 -4.98 117.16 118.05 1cbl n TYR 145 Ca -0.01 0.12 0.15 0.00 -0.16 0.00 0.00 57.90 58.00 1cbl n TYR 145 Cb 0.04 -0.54 0.84 0.00 -0.31 0.00 0.00 39.34 39.37 1cbl n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12