#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 2.88 0.10 3.52 0.00 -1.26 -4.82 115.29 115.71 1cbl s HIS 2 Ca 0.00 -1.61 0.08 0.00 -3.00 0.00 0.00 55.06 50.53 1cbl s HIS 2 Cb 0.00 -1.96 -0.04 0.00 -4.00 0.00 0.00 32.58 26.58 1cbl s HIS 2 CO 0.00 -0.77 -0.16 -0.51 -1.00 0.00 0.00 174.74 172.30 1cbl s LEU 3 N 1.30 2.78 0.70 5.38 1.43 -1.26 -5.09 118.68 123.92 1cbl s LEU 3 Ca 0.03 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 1cbl s LEU 3 Cb -0.14 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.49 1cbl s LEU 3 CO -0.10 0.19 1.14 0.42 0.23 0.00 0.00 176.35 178.22 1cbl s THR 4 N -1.14 2.93 0.19 5.49 -4.23 -1.26 -4.69 115.64 112.93 1cbl s THR 4 Ca 0.18 0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 60.86 1cbl s THR 4 Cb -0.11 -2.92 0.07 0.00 1.34 0.00 0.00 72.50 70.88 1cbl s THR 4 CO 0.10 -0.28 1.55 1.55 -0.54 0.00 0.00 174.62 177.00 1cbl h PRO 5 N -0.27 -0.02 0.35 3.99 0.13 -1.99 0.27 132.00 134.45 1cbl h PRO 5 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1cbl h PRO 5 Cb 1.26 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1cbl h PRO 5 CO 0.52 -0.01 -0.43 0.93 -0.23 0.00 0.00 178.00 178.78 1cbl h GLU 6 N -0.02 -0.78 -0.72 0.86 5.08 -1.99 -1.83 114.58 115.17 1cbl h GLU 6 Ca 0.24 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.76 1cbl h GLU 6 Cb 0.50 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 1cbl h GLU 6 CO -0.94 -0.52 0.33 0.93 -1.00 0.00 0.00 179.01 177.81 1cbl h GLU 7 N -0.81 0.52 -0.23 2.33 5.08 -1.55 -0.58 114.58 119.34 1cbl h GLU 7 Ca -0.03 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1cbl h GLU 7 Cb 0.75 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1cbl h GLU 7 CO -0.11 0.34 0.12 0.87 -1.00 0.00 0.00 179.01 179.23 1cbl h LYS 8 N 0.53 0.25 -0.20 2.33 1.79 -0.09 -1.13 116.57 120.05 1cbl h LYS 8 Ca 0.37 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.73 1cbl h LYS 8 Cb 0.47 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1cbl h LYS 8 CO -0.32 0.16 -0.31 0.77 -1.08 0.00 0.00 179.45 178.67 1cbl h SER 9 N 0.26 0.41 0.88 0.86 0.02 -0.58 -1.38 113.55 114.01 1cbl h SER 9 Ca 0.09 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1cbl h SER 9 Cb 0.01 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1cbl h SER 9 CO -0.06 0.71 -0.31 0.00 -1.14 0.00 0.00 176.83 176.03 1cbl h ALA 10 N 1.32 1.01 0.00 3.77 0.00 -0.83 -1.68 119.26 122.85 1cbl h ALA 10 Ca 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1cbl h ALA 10 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1cbl h ALA 10 CO 0.06 0.39 -0.00 0.28 0.00 0.00 0.00 179.25 179.98 1cbl h VAL 11 N 0.00 1.76 -0.19 0.00 2.07 -0.64 -3.26 116.25 116.00 1cbl h VAL 11 Ca -0.00 -2.24 -0.09 0.00 0.82 0.00 0.00 66.70 65.19 1cbl h VAL 11 Cb 0.84 3.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.88 1cbl h VAL 11 CO 0.04 0.58 -0.29 0.74 0.02 0.00 0.00 177.57 178.66 1cbl h THR 12 N -0.95 1.27 -0.12 2.57 2.02 -1.27 -2.62 112.91 113.81 1cbl h THR 12 Ca -0.00 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 1cbl h THR 12 Cb 0.95 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1cbl h THR 12 CO 0.00 0.40 -0.04 0.00 0.37 0.00 0.00 175.52 176.25 1cbl h ALA 13 N 1.37 0.17 0.00 6.16 0.00 -1.45 -2.84 119.26 122.68 1cbl h ALA 13 Ca 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1cbl h ALA 13 Cb 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1cbl h ALA 13 CO 0.05 -0.07 -0.21 -0.07 0.00 0.00 0.00 179.25 178.95 1cbl h LEU 14 N -0.08 0.00 -0.30 0.00 3.38 -1.58 -2.90 115.31 113.83 1cbl h LEU 14 Ca 0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 1cbl h LEU 14 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1cbl h LEU 14 CO 0.01 0.21 -0.78 -0.25 0.09 0.00 0.00 178.44 177.72 1cbl h TRP 15 N 0.00 0.70 0.00 1.13 2.91 -1.38 -3.07 115.95 116.24 1cbl h TRP 15 Ca -0.00 -0.32 0.00 0.00 1.13 0.00 0.00 58.89 59.70 1cbl h TRP 15 Cb 0.61 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.15 1cbl h TRP 15 CO 0.00 1.11 0.00 0.41 -1.03 0.00 0.00 178.44 178.93 1cbl n GLY 16 N 0.66 -0.76 0.36 2.65 0.00 -1.08 -1.66 105.19 105.35 1cbl n GLY 16 Ca -0.06 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1cbl n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cbl n LYS 17 N -0.88 1.16 -3.15 1.61 4.76 -1.16 -5.01 118.16 115.50 1cbl n LYS 17 Ca 0.14 -1.31 -0.39 0.00 -2.87 0.00 0.00 58.31 53.88 1cbl n LYS 17 Cb 0.06 -1.16 -0.06 0.00 -1.84 0.00 0.00 35.03 32.04 1cbl n LYS 17 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1cbl s VAL 18 N -0.77 4.77 -0.59 -0.18 1.01 -0.67 -5.02 120.40 118.95 1cbl s VAL 18 Ca 0.12 1.37 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 1cbl s VAL 18 Cb 0.07 -3.99 0.11 0.00 0.00 0.00 0.00 36.38 32.57 1cbl s VAL 18 CO 0.10 0.45 0.69 0.21 0.00 0.00 0.00 175.10 176.55 1cbl s ASN 19 N -0.46 6.19 0.53 3.32 3.84 -1.26 -4.93 114.94 122.17 1cbl s ASN 19 Ca 0.33 -1.48 0.31 0.00 0.21 0.00 0.00 52.86 52.23 1cbl s ASN 19 Cb -0.20 -2.30 1.36 0.00 -0.55 0.00 0.00 41.25 39.57 1cbl s ASN 19 CO 0.20 -1.09 1.99 -0.37 -2.79 0.00 0.00 177.10 175.04 1cbl h VAL 20 N 5.92 0.26 0.76 -5.21 -1.51 -1.95 -0.82 116.25 113.69 1cbl h VAL 20 Ca -0.29 -0.64 -0.04 0.00 -1.23 0.00 0.00 66.70 64.50 1cbl h VAL 20 Cb 1.09 1.51 0.01 0.00 -2.13 0.00 0.00 31.29 31.76 1cbl h VAL 20 CO 1.10 0.08 -0.36 0.44 -1.23 0.00 0.00 177.57 177.60 1cbl h ASP 21 N 0.00 -0.86 0.63 4.19 5.19 -1.94 -0.82 116.42 122.80 1cbl h ASP 21 Ca -0.00 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1cbl h ASP 21 Cb 0.50 0.22 0.01 0.00 0.18 0.00 0.00 39.33 40.24 1cbl h ASP 21 CO 0.01 -0.55 -0.31 -0.08 -3.12 0.00 0.00 179.24 175.19 1cbl h GLU 22 N -1.13 -0.82 -0.41 3.56 4.81 -1.95 -2.03 114.58 116.61 1cbl h GLU 22 Ca -0.10 0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1cbl h GLU 22 Cb 0.80 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1cbl h GLU 22 CO 0.17 -0.55 0.13 0.28 -0.73 0.00 0.00 179.01 178.31 1cbl h VAL 23 N -0.85 1.22 -0.06 0.32 2.07 -1.23 -2.04 116.25 115.68 1cbl h VAL 23 Ca -0.08 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.74 1cbl h VAL 23 Cb 0.66 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1cbl h VAL 23 CO 0.14 0.26 -0.13 1.23 0.02 0.00 0.00 177.57 179.09 1cbl h GLY 24 N 0.52 -0.10 1.42 2.17 0.00 -1.18 0.12 103.07 106.02 1cbl h GLY 24 Ca 0.13 0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 1cbl h GLY 24 CO -0.00 -0.13 -0.02 -1.33 0.00 0.00 0.00 176.54 175.05 1cbl h GLY 25 N -0.18 0.77 1.02 4.60 0.00 -1.31 -2.49 103.07 105.47 1cbl h GLY 25 Ca 0.07 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1cbl h GLY 25 CO -0.17 0.47 -0.28 -2.09 0.00 0.00 0.00 176.54 174.47 1cbl h GLU 26 N 0.67 0.79 0.01 4.80 4.57 -1.15 -1.42 114.58 122.85 1cbl h GLU 26 Ca 0.13 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1cbl h GLU 26 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1cbl h GLU 26 CO 0.02 1.03 -0.01 0.00 -1.18 0.00 0.00 179.01 178.87 1cbl h ALA 27 N 0.75 -0.02 -0.47 2.92 0.00 -0.65 -1.73 119.26 120.06 1cbl h ALA 27 Ca 0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1cbl h ALA 27 Cb 0.85 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1cbl h ALA 27 CO 0.07 -0.42 0.05 1.25 0.00 0.00 0.00 179.25 180.21 1cbl h LEU 28 N -0.19 0.77 -0.53 0.00 5.85 -1.51 -1.75 115.31 117.94 1cbl h LEU 28 Ca -0.00 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1cbl h LEU 28 Cb 0.19 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1cbl h LEU 28 CO 0.00 0.85 0.14 1.23 -0.34 0.00 0.00 178.44 180.32 1cbl h GLY 29 N 0.66 0.91 1.01 3.75 0.00 -1.24 -2.79 103.07 105.37 1cbl h GLY 29 Ca 0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1cbl h GLY 29 CO 0.01 0.53 0.48 3.21 0.00 0.00 0.00 176.54 180.77 1cbl h ARG 30 N 0.74 1.11 -0.12 4.80 3.08 -1.18 -1.03 114.38 121.78 1cbl h ARG 30 Ca 0.17 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1cbl h ARG 30 Cb 0.33 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1cbl h ARG 30 CO 0.00 0.80 -0.06 1.25 -1.07 0.00 0.00 179.97 180.89 1cbl h LEU 31 N 1.12 -0.20 -1.18 3.04 5.85 -1.17 0.42 115.31 123.19 1cbl h LEU 31 Ca 0.29 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 1cbl h LEU 31 Cb -0.02 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1cbl h LEU 31 CO -0.05 -0.08 0.21 -0.07 -0.34 0.00 0.00 178.44 178.11 1cbl h LEU 32 N -0.05 0.72 0.01 2.25 3.38 -1.18 -1.45 115.31 118.99 1cbl h LEU 32 Ca 0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1cbl h LEU 32 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1cbl h LEU 32 CO -0.15 0.65 -0.01 0.58 0.09 0.00 0.00 178.44 179.60 1cbl h VAL 33 N 0.78 1.49 -0.51 1.22 2.07 -0.91 -3.29 116.25 117.09 1cbl h VAL 33 Ca 0.19 -1.96 -0.08 0.00 0.82 0.00 0.00 66.70 65.67 1cbl h VAL 33 Cb 0.16 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1cbl h VAL 33 CO -0.02 0.48 0.03 0.58 0.02 0.00 0.00 177.57 178.65 1cbl h VAL 34 N -0.92 1.26 -3.07 2.57 2.07 -0.17 -3.37 116.25 114.61 1cbl h VAL 34 Ca -0.00 -1.04 -0.62 0.00 0.82 0.00 0.00 66.70 65.85 1cbl h VAL 34 Cb 0.79 0.93 -0.41 0.00 -1.52 0.00 0.00 31.29 31.09 1cbl h VAL 34 CO 0.00 0.37 -0.67 -0.31 0.02 0.00 0.00 177.57 176.98 1cbl s TYR 35 N -5.07 2.82 0.57 1.57 2.02 -0.55 -4.99 117.35 113.72 1cbl s TYR 35 Ca -0.12 -2.97 0.26 0.00 -0.37 0.00 0.00 57.07 53.87 1cbl s TYR 35 Cb 0.12 -2.36 1.61 0.00 -0.40 0.00 0.00 41.96 40.93 1cbl s TYR 35 CO 0.82 -0.69 2.16 -1.35 -1.57 0.00 0.00 175.55 174.92 1cbl h PRO 36 N 6.07 0.00 0.00 -1.71 0.11 -1.73 -2.01 132.00 132.72 1cbl h PRO 36 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1cbl h PRO 36 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1cbl h PRO 36 CO 0.62 0.00 -0.02 0.11 -0.21 0.00 0.00 178.00 178.50 1cbl h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.21 115.95 113.56 1cbl h TRP 37 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.03 1cbl h TRP 37 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.50 1cbl h TRP 37 CO 0.00 0.02 0.00 1.79 0.09 0.00 0.00 178.44 180.34 1cbl h THR 38 N 0.00 0.00 -0.01 0.12 1.35 -1.68 -2.28 112.91 110.41 1cbl h THR 38 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1cbl h THR 38 Cb 0.04 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1cbl h THR 38 CO 0.00 0.00 0.01 1.56 -0.25 0.00 0.00 175.52 176.85 1cbl h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.42 -2.56 115.11 120.06 1cbl h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1cbl h GLN 39 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1cbl h GLN 39 CO 0.00 0.00 0.00 0.07 -0.67 0.00 0.00 178.83 178.23 1cbl h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.62 -2.58 114.38 111.75 1cbl h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1cbl h ARG 40 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1cbl h ARG 40 CO -0.00 0.00 -0.55 0.74 0.10 0.00 0.00 179.97 180.26 1cbl h PHE 41 N 0.00 0.00 -0.07 4.08 0.04 -1.71 -3.36 116.94 115.92 1cbl h PHE 41 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1cbl h PHE 41 Cb 0.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 1cbl h PHE 41 CO 0.00 0.00 -0.30 1.19 -0.60 0.00 0.00 178.31 178.60 1cbl n PHE 42 N -2.19 0.22 -0.08 -0.55 3.72 -0.97 -4.77 117.46 112.84 1cbl n PHE 42 Ca 0.03 -1.38 0.14 0.00 -0.05 0.00 0.00 57.45 56.19 1cbl n PHE 42 Cb 0.45 -0.27 0.53 0.00 -0.94 0.00 0.00 39.48 39.25 1cbl n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1cbl h GLU 43 N 0.81 0.33 0.00 -1.08 5.08 -1.70 -1.36 114.58 116.67 1cbl h GLU 43 Ca 0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1cbl h GLU 43 Cb 1.13 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1cbl h GLU 43 CO 0.07 0.22 -0.02 0.66 -1.00 0.00 0.00 179.01 178.95 1cbl h SER 44 N 0.34 0.00 1.04 1.42 4.64 -1.92 -3.27 113.55 115.81 1cbl h SER 44 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1cbl h SER 44 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1cbl h SER 44 CO -0.07 0.02 0.00 0.49 -0.87 0.00 0.00 176.83 176.40 1cbl n PHE 45 N -3.16 0.38 0.00 4.77 3.01 -0.51 -5.05 117.46 116.90 1cbl n PHE 45 Ca -0.01 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1cbl n PHE 45 Cb 0.20 -0.69 0.00 0.00 -0.01 0.00 0.00 39.48 38.98 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 1.06 1.05 3.63 1.37 0.00 -1.24 -4.82 105.19 106.23 1cbl n GLY 46 Ca 0.06 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 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 6.73 0.00 1.61 2.15 -1.26 -4.80 116.67 117.11 1cbl s ASP 47 Ca 0.00 0.83 0.00 0.00 0.43 0.00 0.00 52.55 53.81 1cbl s ASP 47 Cb 0.00 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1cbl s ASP 47 CO 0.00 -0.57 0.53 0.18 -0.17 0.00 0.00 175.17 175.13 1cbl n LEU 48 N 6.13 0.99 0.21 -1.34 4.77 -1.26 -3.73 117.00 122.77 1cbl n LEU 48 Ca 0.05 -0.99 0.14 0.00 -0.03 0.00 0.00 56.01 55.18 1cbl n LEU 48 Cb 0.48 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.33 1cbl n LEU 48 CO 0.49 0.25 1.12 0.28 -1.33 0.00 0.00 177.39 178.20 1cbl h SER 49 N 0.00 0.00 -4.68 -1.43 0.02 -1.95 -3.42 113.55 102.10 1cbl h SER 49 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1cbl h SER 49 Cb 0.27 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.61 1cbl h SER 49 CO 0.00 0.00 -0.73 0.42 -1.14 0.00 0.00 176.83 175.38 1cbl s THR 50 N -4.84 0.66 0.40 -2.27 -4.23 -1.26 -5.00 115.64 99.10 1cbl s THR 50 Ca -0.05 -1.27 0.18 0.00 -1.18 0.00 0.00 61.69 59.36 1cbl s THR 50 Cb 0.16 -0.87 0.38 0.00 1.34 0.00 0.00 72.50 73.51 1cbl s THR 50 CO 0.62 -0.45 1.81 -0.65 -0.54 0.00 0.00 174.62 175.41 1cbl h PRO 51 N 4.18 0.41 0.02 3.99 0.11 -1.98 1.00 132.00 139.72 1cbl h PRO 51 Ca -0.36 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.56 1cbl h PRO 51 Cb 1.19 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.23 1cbl h PRO 51 CO 0.45 0.27 -0.66 -0.44 -0.21 0.00 0.00 178.00 177.41 1cbl h ASP 52 N 0.42 0.55 -0.06 -2.05 3.32 -1.96 0.14 116.42 116.79 1cbl h ASP 52 Ca 0.54 -0.78 0.02 0.00 0.02 0.00 0.00 57.03 56.83 1cbl h ASP 52 Cb 1.35 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1cbl h ASP 52 CO -0.25 1.26 -0.30 0.00 -1.72 0.00 0.00 179.24 178.24 1cbl h ALA 53 N 0.30 -0.69 -0.25 3.45 0.00 -0.80 0.28 119.26 121.55 1cbl h ALA 53 Ca -0.09 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1cbl h ALA 53 Cb 1.38 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 19.89 1cbl h ALA 53 CO 0.13 -0.80 -0.39 0.28 0.00 0.00 0.00 179.25 178.47 1cbl h VAL 54 N -0.33 0.17 0.00 0.00 2.07 0.82 0.37 116.25 119.36 1cbl h VAL 54 Ca 0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 1cbl h VAL 54 Cb 0.37 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1cbl h VAL 54 CO -0.23 0.00 -0.32 0.24 0.02 0.00 0.00 177.57 177.28 1cbl h MET 55 N -0.39 0.00 -0.15 1.57 2.86 -0.52 -2.93 114.93 115.36 1cbl h MET 55 Ca 0.11 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.56 1cbl h MET 55 Cb 0.59 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.26 1cbl h MET 55 CO -0.46 0.32 -0.67 0.78 1.06 0.00 0.00 176.91 177.94 1cbl h GLY 56 N 1.40 0.80 -6.57 8.32 0.00 0.12 -3.46 103.07 103.67 1cbl h GLY 56 Ca -0.00 -1.10 -0.66 0.00 0.00 0.00 0.00 47.33 45.56 1cbl h GLY 56 CO 0.04 0.98 1.25 -2.01 0.00 0.00 0.00 176.54 176.81 1cbl n ASN 57 N -4.04 2.58 0.21 0.19 2.85 0.07 -4.88 115.26 112.25 1cbl n ASN 57 Ca -0.07 0.65 0.14 0.00 -0.11 0.00 0.00 54.58 55.19 1cbl n ASN 57 Cb 0.69 -1.29 0.44 0.00 1.24 0.00 0.00 39.78 40.86 1cbl n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1cbl h PRO 58 N 10.88 0.00 -0.13 1.20 0.13 -1.88 -1.41 132.00 140.79 1cbl h PRO 58 Ca -0.37 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.63 1cbl h PRO 58 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1cbl h PRO 58 CO 0.99 0.00 -0.48 0.87 -0.23 0.00 0.00 178.00 179.14 1cbl h LYS 59 N 0.00 0.34 0.18 0.86 1.57 -1.89 0.45 116.57 118.08 1cbl h LYS 59 Ca 0.00 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1cbl h LYS 59 Cb 0.69 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1cbl h LYS 59 CO 0.00 0.75 -0.09 0.28 -0.57 0.00 0.00 179.45 179.83 1cbl h VAL 60 N 0.27 0.93 -1.00 0.50 2.07 -1.76 -0.14 116.25 117.12 1cbl h VAL 60 Ca 0.01 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1cbl h VAL 60 Cb 0.95 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 1cbl h VAL 60 CO 0.08 0.18 0.65 0.11 0.02 0.00 0.00 177.57 178.62 1cbl h LYS 61 N -0.68 1.32 -0.50 1.57 1.57 -1.20 0.44 116.57 119.09 1cbl h LYS 61 Ca -0.02 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1cbl h LYS 61 Cb 0.49 -0.30 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1cbl h LYS 61 CO 0.04 0.88 -0.00 0.00 -0.57 0.00 0.00 179.45 179.80 1cbl h ALA 62 N 1.36 0.67 -0.12 3.86 0.00 -0.88 -2.42 119.26 121.73 1cbl h ALA 62 Ca 0.36 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1cbl h ALA 62 Cb -0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1cbl h ALA 62 CO -0.08 0.48 -0.65 1.25 0.00 0.00 0.00 179.25 180.25 1cbl h HIS 63 N 0.74 0.61 -0.90 0.00 -0.00 -0.60 -2.86 115.15 112.15 1cbl h HIS 63 Ca 0.14 -0.25 0.06 0.00 -0.00 0.00 0.00 60.37 60.33 1cbl h HIS 63 Cb 0.52 -0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 27.77 1cbl h HIS 63 CO 0.04 0.99 0.59 0.78 -0.00 0.00 0.00 177.93 180.32 1cbl h GLY 64 N 1.17 1.31 1.34 5.26 0.00 -0.81 0.26 103.07 111.61 1cbl h GLY 64 Ca -0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 1cbl h GLY 64 CO 0.12 0.31 -0.40 1.70 0.00 0.00 0.00 176.54 178.26 1cbl h LYS 65 N 1.03 0.72 0.06 4.80 3.64 -1.29 -1.41 116.57 124.11 1cbl h LYS 65 Ca 0.39 -0.37 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1cbl h LYS 65 Cb 0.19 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1cbl h LYS 65 CO -0.14 0.99 -0.03 0.87 -2.27 0.00 0.00 179.45 178.87 1cbl h LYS 66 N 0.59 -0.07 0.11 1.90 1.57 -1.14 0.27 116.57 119.80 1cbl h LYS 66 Ca 0.05 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1cbl h LYS 66 Cb 0.94 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 1cbl h LYS 66 CO 0.09 0.05 -0.28 0.28 -0.57 0.00 0.00 179.45 179.02 1cbl h VAL 67 N -0.19 0.39 0.00 0.50 2.07 -0.40 -1.78 116.25 116.85 1cbl h VAL 67 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1cbl h VAL 67 Cb 0.16 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1cbl h VAL 67 CO 0.01 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 177.38 1cbl h LEU 68 N -0.49 0.00 0.27 2.57 -0.00 -1.17 -1.31 115.31 115.18 1cbl h LEU 68 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1cbl h LEU 68 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1cbl h LEU 68 CO -0.17 0.15 -0.13 1.23 -0.00 0.00 0.00 178.44 179.52 1cbl h GLY 69 N 0.56 -0.38 1.29 0.83 0.00 0.37 -1.39 103.07 104.34 1cbl h GLY 69 Ca -0.00 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1cbl h GLY 69 CO 0.02 -0.14 0.32 0.00 0.00 0.00 0.00 176.54 176.74 1cbl h ALA 70 N 0.35 1.33 -0.56 3.60 0.00 -0.75 -2.23 119.26 121.00 1cbl h ALA 70 Ca -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1cbl h ALA 70 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1cbl h ALA 70 CO 0.06 0.53 0.37 0.35 0.00 0.00 0.00 179.25 180.56 1cbl h PHE 71 N 0.93 0.68 -0.41 0.00 3.04 -0.88 -2.88 116.94 117.42 1cbl h PHE 71 Ca 0.23 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.17 1cbl h PHE 71 Cb 0.08 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.35 1cbl h PHE 71 CO 0.01 0.42 0.16 0.77 -2.02 0.00 0.00 178.31 177.65 1cbl h SER 72 N 0.73 0.58 0.38 0.41 0.02 -0.62 -2.82 113.55 112.23 1cbl h SER 72 Ca 0.21 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1cbl h SER 72 Cb -0.04 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1cbl h SER 72 CO -0.05 0.60 -0.38 0.44 -1.14 0.00 0.00 176.83 176.29 1cbl h ASP 73 N 0.53 -1.06 -0.41 3.07 5.19 -1.55 -2.28 116.42 119.92 1cbl h ASP 73 Ca 0.14 0.08 0.08 0.00 -0.62 0.00 0.00 57.03 56.71 1cbl h ASP 73 Cb 0.20 0.35 -0.07 0.00 0.18 0.00 0.00 39.33 39.99 1cbl h ASP 73 CO -0.01 -0.51 -0.11 0.61 -3.12 0.00 0.00 179.24 176.10 1cbl n GLY 74 N -1.43 -0.71 0.34 2.75 0.00 -1.10 0.24 105.19 105.27 1cbl n GLY 74 Ca -0.09 0.44 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 1cbl n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cbl h LEU 75 N 0.00 1.05 -0.30 0.99 5.85 -1.16 -1.50 115.31 120.24 1cbl h LEU 75 Ca 0.18 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1cbl h LEU 75 Cb 0.29 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1cbl h LEU 75 CO -0.41 0.86 0.00 0.00 -0.34 0.00 0.00 178.44 178.55 1cbl n ALA 76 N -2.39 1.86 -2.55 1.25 0.00 0.65 -3.40 120.51 115.92 1cbl n ALA 76 Ca 0.08 0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 1cbl n ALA 76 Cb 0.11 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.96 2.32 0.34 0.00 8.25 -0.62 -4.89 115.22 118.67 1cbl n HIS 77 Ca 0.04 -2.89 0.23 0.00 -0.26 0.00 0.00 57.72 54.84 1cbl n HIS 77 Cb 0.26 -0.23 1.23 0.00 1.12 0.00 0.00 29.99 32.37 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 2.74 0.00 -0.06 2.41 3.38 -1.44 -0.18 115.31 122.16 1cbl h LEU 78 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1cbl h LEU 78 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1cbl h LEU 78 CO 0.67 0.00 -0.11 0.44 0.09 0.00 0.00 178.44 179.53 1cbl h ASP 79 N 0.00 0.00 -1.55 -0.43 5.19 -1.87 -3.38 116.42 114.38 1cbl h ASP 79 Ca -0.00 0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.98 1cbl h ASP 79 Cb 0.00 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 39.16 1cbl h ASP 79 CO 0.00 0.11 -1.05 -3.20 -3.12 0.00 0.00 179.24 171.98 1cbl n ASN 80 N -3.13 0.26 -0.23 6.45 4.05 -0.10 -4.92 115.26 117.65 1cbl n ASN 80 Ca 0.03 -3.11 0.00 0.00 0.45 0.00 0.00 54.58 51.96 1cbl n ASN 80 Cb 0.56 -0.13 0.23 0.00 1.23 0.00 0.00 39.78 41.68 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 2.98 0.88 -0.73 1.20 3.38 -1.68 0.02 115.31 121.36 1cbl h LEU 81 Ca 0.05 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1cbl h LEU 81 Cb 1.01 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1cbl h LEU 81 CO 0.43 0.65 0.47 0.11 0.09 0.00 0.00 178.44 180.18 1cbl h LYS 82 N 1.04 0.91 -0.00 1.13 6.56 -1.90 -0.07 116.57 124.24 1cbl h LYS 82 Ca 0.28 -0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.75 1cbl h LYS 82 Cb -0.11 -0.20 0.01 0.00 -0.57 0.00 0.00 32.23 31.35 1cbl h LYS 82 CO -0.06 0.60 -0.27 0.78 -2.06 0.00 0.00 179.45 178.44 1cbl h GLY 83 N 0.93 0.21 0.23 3.86 0.00 -1.86 -2.57 103.07 103.87 1cbl h GLY 83 Ca 0.29 -0.36 0.11 0.00 0.00 0.00 0.00 47.33 47.36 1cbl h GLY 83 CO -0.09 0.32 0.13 -0.84 0.00 0.00 0.00 176.54 176.05 1cbl h THR 84 N -0.48 0.66 -0.18 4.70 2.02 -0.90 -2.71 112.91 116.03 1cbl h THR 84 Ca -0.03 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1cbl h THR 84 Cb 1.02 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1cbl h THR 84 CO 0.05 0.05 0.00 0.49 0.37 0.00 0.00 175.52 176.48 1cbl n PHE 85 N -5.12 0.22 -0.17 3.16 3.72 -0.05 -4.63 117.46 114.60 1cbl n PHE 85 Ca 0.08 -0.11 -0.03 0.00 -0.05 0.00 0.00 57.45 57.34 1cbl n PHE 85 Cb 0.30 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.88 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 4.22 0.29 0.00 4.37 0.00 -1.11 0.46 119.26 127.48 1cbl h ALA 86 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1cbl h ALA 86 Cb 0.61 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1cbl h ALA 86 CO 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 179.25 178.43 1cbl h THR 87 N -0.04 0.62 -0.01 0.00 1.03 -1.82 -2.31 112.91 110.39 1cbl h THR 87 Ca 0.25 -1.74 -0.14 0.00 -0.01 0.00 0.00 66.41 64.77 1cbl h THR 87 Cb 0.42 2.20 -0.02 0.00 -1.07 0.00 0.00 68.15 69.68 1cbl h THR 87 CO -0.56 0.34 -0.65 -0.07 -0.01 0.00 0.00 175.52 174.56 1cbl h LEU 88 N 0.00 0.04 -0.58 0.00 3.38 -1.71 -2.41 115.31 114.03 1cbl h LEU 88 Ca -0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1cbl h LEU 88 Cb 1.17 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1cbl h LEU 88 CO 0.04 0.68 0.12 -1.28 0.09 0.00 0.00 178.44 178.10 1cbl h SER 89 N 0.02 0.89 -0.63 -0.43 0.87 -0.61 -0.22 113.55 113.45 1cbl h SER 89 Ca -0.01 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.23 1cbl h SER 89 Cb 1.16 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 1cbl h SER 89 CO 0.09 0.91 0.09 -0.33 -0.53 0.00 0.00 176.83 177.05 1cbl h GLU 90 N 0.84 1.07 -0.54 2.24 5.08 -1.14 -1.17 114.58 120.96 1cbl h GLU 90 Ca 0.18 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1cbl h GLU 90 Cb 0.37 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1cbl h GLU 90 CO 0.01 0.99 0.13 1.25 -1.00 0.00 0.00 179.01 180.39 1cbl h LEU 91 N 1.00 0.82 -0.35 1.33 5.85 -1.06 -1.91 115.31 120.99 1cbl h LEU 91 Ca 0.19 -0.23 -0.19 0.00 0.84 0.00 0.00 57.88 58.49 1cbl h LEU 91 Cb 0.45 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1cbl h LEU 91 CO 0.02 0.84 -0.73 0.45 -0.34 0.00 0.00 178.44 178.68 1cbl h HIS 92 N 0.77 0.68 0.00 1.25 3.86 -0.76 0.08 115.15 121.03 1cbl h HIS 92 Ca 0.17 -0.30 -0.06 0.00 -1.16 0.00 0.00 60.37 59.03 1cbl h HIS 92 Cb 0.34 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1cbl h HIS 92 CO 0.02 1.07 -0.38 0.00 0.86 0.00 0.00 177.93 179.50 1cbl h ASP 94 N -1.00 0.78 0.00 0.00 3.32 -1.52 -3.19 116.42 114.81 1cbl h ASP 94 Ca -0.08 -0.75 -0.06 0.00 0.02 0.00 0.00 57.03 56.16 1cbl h ASP 94 Cb 0.75 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1cbl h ASP 94 CO -0.05 1.42 -0.94 1.17 -1.72 0.00 0.00 179.24 179.12 1cbl n LYS 95 N -3.99 0.50 0.14 3.56 4.81 -1.05 -4.61 118.16 117.52 1cbl n LYS 95 Ca -0.11 0.39 0.02 0.00 -0.87 0.00 0.00 58.31 57.74 1cbl n LYS 95 Cb 0.81 -1.59 0.06 0.00 0.02 0.00 0.00 35.03 34.33 1cbl n LYS 95 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1cbl h LEU 96 N -1.00 0.00 -1.53 3.14 3.38 -1.08 -3.49 115.31 114.74 1cbl h LEU 96 Ca -0.10 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.50 1cbl h LEU 96 Cb 0.86 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.73 1cbl h LEU 96 CO -0.06 0.56 -0.77 1.41 0.09 0.00 0.00 178.44 179.67 1cbl n HIS 97 N -3.31 -2.23 -2.85 1.13 8.25 0.48 -4.96 115.22 111.74 1cbl n HIS 97 Ca 0.01 0.92 -0.42 0.00 -0.26 0.00 0.00 57.72 57.98 1cbl n HIS 97 Cb 0.73 -4.82 -0.04 0.00 1.12 0.00 0.00 29.99 26.97 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 -3.43 4.84 0.36 1.59 1.01 -0.47 -5.01 120.40 119.30 1cbl s VAL 98 Ca 0.13 1.69 -0.28 0.00 0.00 0.00 0.00 61.98 63.52 1cbl s VAL 98 Cb -0.06 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 1cbl s VAL 98 CO 0.76 -0.02 1.49 -0.67 0.00 0.00 0.00 175.10 176.66 1cbl n ASP 99 N 5.51 3.74 0.02 3.32 -0.08 -1.26 -4.80 116.55 123.01 1cbl n ASP 99 Ca 0.06 1.22 0.12 0.00 -1.51 0.00 0.00 54.79 54.68 1cbl n ASP 99 Cb 0.48 -1.61 0.57 0.00 2.34 0.00 0.00 41.12 42.90 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 3.17 0.23 -0.84 -0.67 0.11 -1.96 -1.22 132.00 130.81 1cbl h PRO 100 Ca -0.50 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1cbl h PRO 100 Cb 1.24 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1cbl h PRO 100 CO 0.66 0.15 0.55 1.49 -0.21 0.00 0.00 178.00 180.64 1cbl h GLU 101 N 0.23 0.94 -0.75 1.05 4.57 -1.98 -2.37 114.58 116.28 1cbl h GLU 101 Ca 0.20 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1cbl h GLU 101 Cb 0.48 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1cbl h GLU 101 CO -0.04 0.62 0.49 -0.91 -1.18 0.00 0.00 179.01 178.00 1cbl h ASN 102 N 0.97 0.83 -0.65 1.04 2.35 -1.58 -0.07 115.58 118.48 1cbl h ASN 102 Ca 0.35 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 56.00 1cbl h ASN 102 Cb 0.15 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1cbl h ASN 102 CO -0.12 0.59 0.09 -0.26 -1.65 0.00 0.00 177.43 176.08 1cbl h PHE 103 N 0.97 1.17 -0.40 1.19 0.04 -1.50 -1.89 116.94 116.52 1cbl h PHE 103 Ca 0.28 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 1cbl h PHE 103 Cb -0.06 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.76 1cbl h PHE 103 CO -0.00 0.98 0.05 0.00 -0.60 0.00 0.00 178.31 178.74 1cbl h ARG 104 N 1.02 0.67 -0.67 1.51 3.08 -0.90 -1.76 114.38 117.32 1cbl h ARG 104 Ca 0.20 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1cbl h ARG 104 Cb 0.45 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1cbl h ARG 104 CO 0.02 0.73 0.44 -0.07 -1.07 0.00 0.00 179.97 180.02 1cbl h LEU 105 N 0.51 0.78 -0.48 3.04 3.38 -0.89 -1.29 115.31 120.36 1cbl h LEU 105 Ca 0.12 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1cbl h LEU 105 Cb 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1cbl h LEU 105 CO 0.01 0.56 -0.31 0.25 0.09 0.00 0.00 178.44 179.05 1cbl h LEU 106 N 0.92 0.97 -0.04 1.67 5.85 -1.21 -1.43 115.31 122.04 1cbl h LEU 106 Ca 0.25 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1cbl h LEU 106 Cb -0.10 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 1cbl h LEU 106 CO -0.05 1.19 -0.08 1.23 -0.34 0.00 0.00 178.44 180.39 1cbl h GLY 107 N 0.85 -0.06 0.69 3.75 0.00 -0.79 0.46 103.07 107.97 1cbl h GLY 107 Ca 0.08 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.55 1cbl h GLY 107 CO 0.08 -0.09 0.08 3.43 0.00 0.00 0.00 176.54 180.04 1cbl h ASN 108 N -0.12 0.05 -0.46 0.19 2.35 -1.11 -1.10 115.58 115.38 1cbl h ASN 108 Ca 0.04 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1cbl h ASN 108 Cb 0.19 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1cbl h ASN 108 CO -0.11 0.07 0.25 0.58 -1.65 0.00 0.00 177.43 176.56 1cbl h VAL 109 N 0.20 1.00 -0.56 2.81 2.07 -0.91 -1.61 116.25 119.24 1cbl h VAL 109 Ca 0.14 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1cbl h VAL 109 Cb 0.13 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 1cbl h VAL 109 CO -0.17 0.09 0.23 0.25 0.02 0.00 0.00 177.57 177.99 1cbl h LEU 110 N 0.49 0.26 -0.80 2.57 5.85 -0.50 0.29 115.31 123.47 1cbl h LEU 110 Ca 0.19 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 1cbl h LEU 110 Cb 0.07 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1cbl h LEU 110 CO -0.12 0.17 -0.16 0.58 -0.34 0.00 0.00 178.44 178.57 1cbl h VAL 111 N 0.43 1.26 -0.80 1.05 2.07 -0.98 -1.60 116.25 117.68 1cbl h VAL 111 Ca 0.27 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1cbl h VAL 111 Cb 0.29 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1cbl h VAL 111 CO -0.25 0.41 0.48 0.00 0.02 0.00 0.00 177.57 178.23 1cbl h VAL 113 N 1.09 1.25 -0.70 0.00 2.07 -0.45 -1.95 116.25 117.57 1cbl h VAL 113 Ca 0.29 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1cbl h VAL 113 Cb -0.04 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1cbl h VAL 113 CO -0.05 0.35 0.32 -0.07 0.02 0.00 0.00 177.57 178.14 1cbl h LEU 114 N 0.87 0.91 -0.45 2.57 3.38 -1.12 0.37 115.31 121.84 1cbl h LEU 114 Ca 0.18 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1cbl h LEU 114 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1cbl h LEU 114 CO 0.01 0.79 0.19 0.00 0.09 0.00 0.00 178.44 179.51 1cbl h ALA 115 N 1.35 0.59 -0.43 1.53 0.00 -1.17 0.55 119.26 121.68 1cbl h ALA 115 Ca 0.24 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1cbl h ALA 115 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1cbl h ALA 115 CO -0.03 0.19 -0.05 1.25 0.00 0.00 0.00 179.25 180.61 1cbl h HIS 116 N 0.59 0.78 0.00 0.00 -0.00 -0.99 0.24 115.15 115.76 1cbl h HIS 116 Ca 0.15 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1cbl h HIS 116 Cb 0.18 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1cbl h HIS 116 CO 0.00 0.75 -0.51 1.58 -0.00 0.00 0.00 177.93 179.75 1cbl n HIS 117 N -4.20 0.38 -0.57 5.26 -0.00 0.13 -4.27 115.22 111.95 1cbl n HIS 117 Ca 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1cbl n HIS 117 Cb 0.32 -0.55 0.00 0.00 -0.00 0.00 0.00 29.99 29.76 1cbl n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1cbl n PHE 118 N -1.91 0.00 0.00 1.57 3.72 0.15 -5.04 117.46 115.96 1cbl n PHE 118 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1cbl n PHE 118 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 0.04 1.84 0.34 1.37 0.00 0.84 -0.91 105.19 108.71 1cbl n GLY 119 Ca 0.00 0.47 0.21 0.00 0.00 0.00 0.00 46.02 46.70 1cbl n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cbl h LYS 120 N 0.00 0.00 -0.00 1.61 1.79 -1.97 0.76 116.57 118.75 1cbl h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1cbl h LYS 120 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1cbl h LYS 120 CO 0.00 0.00 -0.25 0.39 -1.08 0.00 0.00 179.45 178.51 1cbl n GLU 121 N -3.03 0.29 -2.54 3.15 1.02 -0.08 -4.30 120.64 115.15 1cbl n GLU 121 Ca -0.03 -0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 56.55 1cbl n GLU 121 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1cbl n GLU 121 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1cbl n PHE 122 N -1.24 4.05 -1.83 -0.32 7.35 0.26 -4.90 117.46 120.83 1cbl n PHE 122 Ca 0.09 -3.04 -0.30 0.00 -0.76 0.00 0.00 57.45 53.44 1cbl n PHE 122 Cb 0.32 -2.22 0.04 0.00 0.35 0.00 0.00 39.48 37.98 1cbl n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cbl s THR 123 N 1.74 3.82 0.24 -2.13 -4.23 -1.26 -4.80 115.64 109.02 1cbl s THR 123 Ca 0.44 0.59 -0.06 0.00 -1.18 0.00 0.00 61.69 61.48 1cbl s THR 123 Cb 0.05 -3.55 0.23 0.00 1.34 0.00 0.00 72.50 70.57 1cbl s THR 123 CO 0.00 -0.77 1.68 -0.65 -0.54 0.00 0.00 174.62 174.34 1cbl h PRO 124 N -0.60 0.22 -0.18 3.99 0.11 -1.97 0.24 132.00 133.81 1cbl h PRO 124 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1cbl h PRO 124 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1cbl h PRO 124 CO 0.63 0.15 -0.20 -1.35 -0.21 0.00 0.00 178.00 177.01 1cbl h PRO 125 N 0.23 0.31 -0.21 1.05 0.11 -1.98 -0.85 132.00 130.66 1cbl h PRO 125 Ca 0.40 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.34 1cbl h PRO 125 Cb 0.68 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 1cbl h PRO 125 CO -0.52 0.50 -0.17 0.28 -0.21 0.00 0.00 178.00 177.88 1cbl h VAL 126 N 0.28 1.32 -0.46 3.15 2.07 -1.40 -1.80 116.25 119.42 1cbl h VAL 126 Ca 0.05 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1cbl h VAL 126 Cb 0.52 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1cbl h VAL 126 CO 0.03 0.40 0.26 -0.61 0.02 0.00 0.00 177.57 177.67 1cbl h GLN 127 N 0.16 0.51 -0.62 1.57 4.15 -0.24 0.11 115.11 120.74 1cbl h GLN 127 Ca 0.04 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1cbl h GLN 127 Cb 0.69 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 1cbl h GLN 127 CO 0.04 0.33 0.40 0.00 -1.93 0.00 0.00 178.83 177.68 1cbl h ALA 128 N 1.21 0.80 -0.42 3.38 0.00 -1.11 0.44 119.26 123.56 1cbl h ALA 128 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1cbl h ALA 128 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1cbl h ALA 128 CO -0.10 0.18 0.10 0.00 0.00 0.00 0.00 179.25 179.43 1cbl h ALA 129 N 1.25 0.55 -0.38 0.00 0.00 -0.75 -1.95 119.26 117.99 1cbl h ALA 129 Ca 0.24 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1cbl h ALA 129 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1cbl h ALA 129 CO -0.07 0.24 -0.23 1.88 0.00 0.00 0.00 179.25 181.06 1cbl h TYR 130 N 0.54 0.86 -0.71 0.00 0.05 -0.52 -2.10 116.97 115.08 1cbl h TYR 130 Ca 0.13 -0.20 0.05 0.00 0.05 0.00 0.00 58.73 58.76 1cbl h TYR 130 Cb 0.32 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.81 1cbl h TYR 130 CO 0.02 0.91 0.42 0.37 -1.05 0.00 0.00 178.16 178.84 1cbl h GLN 131 N 0.66 0.78 -0.77 4.88 5.75 0.15 0.52 115.11 127.07 1cbl h GLN 131 Ca 0.09 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1cbl h GLN 131 Cb 0.74 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 1cbl h GLN 131 CO 0.06 0.51 0.29 0.87 -2.65 0.00 0.00 178.83 177.91 1cbl h LYS 132 N 0.80 1.15 -0.08 1.69 6.56 -1.16 -1.21 116.57 124.32 1cbl h LYS 132 Ca 0.30 -0.21 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 1cbl h LYS 132 Cb 0.11 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 31.58 1cbl h LYS 132 CO -0.15 0.94 0.02 0.28 -2.06 0.00 0.00 179.45 178.49 1cbl h VAL 133 N 1.12 1.20 -0.55 0.50 2.07 -0.64 -1.29 116.25 118.65 1cbl h VAL 133 Ca 0.25 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1cbl h VAL 133 Cb 0.23 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1cbl h VAL 133 CO -0.02 0.17 0.35 0.58 0.02 0.00 0.00 177.57 178.68 1cbl h VAL 134 N -0.08 1.11 -0.60 2.57 2.07 -0.88 0.18 116.25 120.62 1cbl h VAL 134 Ca 0.03 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1cbl h VAL 134 Cb 0.25 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1cbl h VAL 134 CO 0.00 0.13 0.20 0.00 0.02 0.00 0.00 177.57 177.92 1cbl h ALA 135 N 1.22 0.79 -0.54 1.67 0.00 -1.18 -0.76 119.26 120.46 1cbl h ALA 135 Ca 0.21 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1cbl h ALA 135 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1cbl h ALA 135 CO -0.06 0.45 0.05 0.78 0.00 0.00 0.00 179.25 180.47 1cbl h GLY 136 N 0.86 0.95 1.02 0.00 0.00 -0.71 -1.66 103.07 103.53 1cbl h GLY 136 Ca 0.20 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1cbl h GLY 136 CO -0.01 0.57 -0.20 -2.08 0.00 0.00 0.00 176.54 174.83 1cbl h VAL 137 N 0.83 1.28 -0.84 4.60 2.07 -0.30 -1.07 116.25 122.82 1cbl h VAL 137 Ca 0.17 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1cbl h VAL 137 Cb 0.42 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1cbl h VAL 137 CO 0.01 0.45 0.50 0.00 0.02 0.00 0.00 177.57 178.55 1cbl h ALA 138 N 0.80 1.07 -0.39 1.67 0.00 -0.95 -0.61 119.26 120.85 1cbl h ALA 138 Ca 0.09 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1cbl h ALA 138 Cb 0.76 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1cbl h ALA 138 CO 0.06 0.53 -0.18 -0.97 0.00 0.00 0.00 179.25 178.69 1cbl h ASN 139 N 1.15 0.83 0.04 0.00 -0.00 -1.22 -2.23 115.58 114.15 1cbl h ASN 139 Ca 0.30 -0.40 -0.07 0.00 -0.00 0.00 0.00 56.30 56.13 1cbl h ASN 139 Cb -0.04 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.04 1cbl h ASN 139 CO -0.06 1.05 -0.20 0.00 -0.00 0.00 0.00 177.43 178.22 1cbl h ALA 140 N 0.81 1.35 0.00 1.57 0.00 -0.88 -1.71 119.26 120.40 1cbl h ALA 140 Ca 0.09 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1cbl h ALA 140 Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1cbl h ALA 140 CO 0.06 0.44 -0.59 -0.07 0.00 0.00 0.00 179.25 179.08 1cbl h LEU 141 N 0.27 0.00 -0.72 0.00 3.38 -1.08 -3.27 115.31 113.89 1cbl h LEU 141 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1cbl h LEU 141 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1cbl h LEU 141 CO 0.03 0.52 -0.16 0.00 0.09 0.00 0.00 178.44 178.93 1cbl n ALA 142 N -2.24 2.89 -0.30 1.53 0.00 -0.84 -4.49 120.51 117.05 1cbl n ALA 142 Ca 0.01 -0.43 0.15 0.00 0.00 0.00 0.00 53.44 53.16 1cbl n ALA 142 Cb 0.75 -1.13 0.32 0.00 0.00 0.00 0.00 19.45 19.39 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 1.76 0.44 0.00 0.00 6.17 -1.38 0.57 115.15 122.71 1cbl h HIS 143 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1cbl h HIS 143 Cb 0.52 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.40 1cbl h HIS 143 CO 0.00 -0.20 0.00 1.17 0.71 0.00 0.00 177.93 179.61 1cbl n LYS 144 N -5.20 0.02 0.00 5.26 3.00 -1.26 -2.23 118.16 117.75 1cbl n LYS 144 Ca 0.23 0.39 0.12 0.00 -0.00 0.00 0.00 58.31 59.05 1cbl n LYS 144 Cb 0.73 -1.54 0.22 0.00 0.00 0.00 0.00 35.03 34.44 1cbl n LYS 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1cbl n TYR 145 N -1.57 0.00 -0.31 5.64 4.01 0.20 -4.96 117.16 120.16 1cbl n TYR 145 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1cbl n TYR 145 Cb 0.09 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1cbl n TYR 145 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01