#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 3.28 -0.04 3.52 5.65 -1.26 -4.82 115.29 121.62 1cbl s HIS 2 Ca 0.00 -1.15 0.02 0.00 0.25 0.00 0.00 55.06 54.18 1cbl s HIS 2 Cb 0.00 -3.10 -0.03 0.00 -1.18 0.00 0.00 32.58 28.27 1cbl s HIS 2 CO 0.00 -0.82 -0.08 -0.51 -0.65 0.00 0.00 174.74 172.68 1cbl s LEU 3 N 1.56 3.10 0.65 8.88 1.43 -1.26 -5.09 118.68 127.95 1cbl s LEU 3 Ca 0.04 -0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 1cbl s LEU 3 Cb -0.24 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1cbl s LEU 3 CO 0.05 0.34 1.07 0.42 0.23 0.00 0.00 176.35 178.45 1cbl s THR 4 N -0.85 3.75 0.60 5.49 -4.23 -1.26 -4.66 115.64 114.48 1cbl s THR 4 Ca 0.14 0.72 0.31 0.00 -1.18 0.00 0.00 61.69 61.67 1cbl s THR 4 Cb -0.11 -3.30 0.36 0.00 1.34 0.00 0.00 72.50 70.80 1cbl s THR 4 CO 0.03 -0.59 2.17 1.55 -0.54 0.00 0.00 174.62 177.24 1cbl h PRO 5 N -0.12 0.00 -0.10 3.99 0.13 -1.99 1.40 132.00 135.31 1cbl h PRO 5 Ca -0.46 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.46 1cbl h PRO 5 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1cbl h PRO 5 CO 0.56 0.00 -0.79 0.93 -0.23 0.00 0.00 178.00 178.47 1cbl h GLU 6 N 0.00 0.61 -0.09 0.86 3.07 -1.99 -0.80 114.58 116.24 1cbl h GLU 6 Ca 0.05 -0.52 -0.06 0.00 -0.50 0.00 0.00 59.36 58.33 1cbl h GLU 6 Cb 0.29 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1cbl h GLU 6 CO -0.00 1.14 -0.16 0.93 -1.40 0.00 0.00 179.01 179.51 1cbl h GLU 7 N 0.41 0.27 -0.91 2.33 5.08 -0.79 -1.73 114.58 119.24 1cbl h GLU 7 Ca -0.05 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1cbl h GLU 7 Cb 1.40 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 1cbl h GLU 7 CO 0.15 0.75 0.59 0.87 -1.00 0.00 0.00 179.01 180.37 1cbl h LYS 8 N -0.18 0.96 -0.13 2.33 1.57 0.17 0.14 116.57 121.42 1cbl h LYS 8 Ca 0.00 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 1cbl h LYS 8 Cb 0.74 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1cbl h LYS 8 CO 0.04 0.63 -0.69 0.66 -0.57 0.00 0.00 179.45 179.52 1cbl h SER 9 N 0.99 0.84 -0.88 0.86 4.64 -1.03 -1.55 113.55 117.41 1cbl h SER 9 Ca 0.41 -0.64 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1cbl h SER 9 Cb 0.28 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 1cbl h SER 9 CO -0.16 1.34 0.58 0.00 -0.87 0.00 0.00 176.83 177.72 1cbl h ALA 10 N 0.52 1.37 0.95 5.18 0.00 -0.96 0.10 119.26 126.42 1cbl h ALA 10 Ca -0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1cbl h ALA 10 Cb 1.33 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1cbl h ALA 10 CO 0.14 0.58 -0.46 0.28 0.00 0.00 0.00 179.25 179.80 1cbl h VAL 11 N 1.19 0.02 -0.44 0.00 2.07 -0.76 -2.72 116.25 115.62 1cbl h VAL 11 Ca 0.32 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.88 1cbl h VAL 11 Cb -0.14 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 29.56 1cbl h VAL 11 CO -0.07 0.00 -0.18 0.74 0.02 0.00 0.00 177.57 178.08 1cbl h THR 12 N -1.33 0.43 -0.81 2.57 2.02 -1.08 -1.56 112.91 113.16 1cbl h THR 12 Ca -0.13 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1cbl h THR 12 Cb 0.98 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1cbl h THR 12 CO 0.21 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.43 1cbl h ALA 13 N 1.25 1.05 -0.33 6.16 0.00 -0.83 -1.99 119.26 124.58 1cbl h ALA 13 Ca 0.21 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1cbl h ALA 13 Cb 0.41 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1cbl h ALA 13 CO -0.50 0.67 -0.47 1.25 0.00 0.00 0.00 179.25 180.21 1cbl h LEU 14 N 1.17 0.96 -0.79 0.00 5.85 -1.12 -3.16 115.31 118.22 1cbl h LEU 14 Ca 0.27 -0.48 0.07 0.00 0.84 0.00 0.00 57.88 58.59 1cbl h LEU 14 Cb 0.21 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 1cbl h LEU 14 CO -0.02 1.27 0.46 -0.25 -0.34 0.00 0.00 178.44 179.56 1cbl h TRP 15 N 0.70 0.85 0.00 1.25 2.91 -1.09 -1.45 115.95 119.12 1cbl h TRP 15 Ca 0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1cbl h TRP 15 Cb 1.06 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.45 1cbl h TRP 15 CO 0.07 0.40 0.02 0.78 -1.03 0.00 0.00 178.44 178.67 1cbl h GLY 16 N 0.83 0.00 -1.94 2.65 0.00 -1.32 0.23 103.07 103.52 1cbl h GLY 16 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1cbl h GLY 16 CO -0.20 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.62 1cbl n LYS 17 N -2.35 2.33 -3.39 4.80 5.02 -0.55 -4.97 118.16 119.05 1cbl n LYS 17 Ca -0.02 -1.95 -0.38 0.00 -2.02 0.00 0.00 58.31 53.95 1cbl n LYS 17 Cb 0.06 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.92 5.14 -0.76 -0.18 1.01 0.82 -5.02 120.40 119.48 1cbl s VAL 18 Ca 0.30 0.88 -0.20 0.00 0.00 0.00 0.00 61.98 62.96 1cbl s VAL 18 Cb 0.20 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.92 1cbl s VAL 18 CO 0.30 0.42 0.99 0.21 0.00 0.00 0.00 175.10 177.02 1cbl s ASN 19 N 0.03 6.37 0.63 3.32 2.47 -1.26 -4.87 114.94 121.63 1cbl s ASN 19 Ca 0.24 -1.52 0.32 0.00 0.42 0.00 0.00 52.86 52.32 1cbl s ASN 19 Cb -0.15 -2.39 1.80 0.00 -1.45 0.00 0.00 41.25 39.06 1cbl s ASN 19 CO 0.11 -1.22 2.09 0.58 -3.72 0.00 0.00 177.10 174.94 1cbl h VAL 20 N 5.89 0.23 0.05 -5.21 2.07 -1.95 0.16 116.25 117.49 1cbl h VAL 20 Ca -0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1cbl h VAL 20 Cb 1.05 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1cbl h VAL 20 CO 1.13 0.00 -0.03 0.44 0.02 0.00 0.00 177.57 179.14 1cbl h ASP 21 N 0.00 -0.06 -0.34 0.57 3.32 -1.92 -2.19 116.42 115.80 1cbl h ASP 21 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1cbl h ASP 21 Cb 0.49 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1cbl h ASP 21 CO -0.00 -0.04 0.22 -0.08 -1.72 0.00 0.00 179.24 177.62 1cbl h GLU 22 N -0.08 0.45 0.03 3.56 4.81 -1.81 -3.12 114.58 118.42 1cbl h GLU 22 Ca -0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1cbl h GLU 22 Cb 0.06 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1cbl h GLU 22 CO 0.01 0.31 -0.15 0.28 -0.73 0.00 0.00 179.01 178.73 1cbl h VAL 23 N 0.47 1.75 -0.55 0.32 2.07 -0.78 -2.88 116.25 116.65 1cbl h VAL 23 Ca 0.12 -2.38 0.11 0.00 0.82 0.00 0.00 66.70 65.37 1cbl h VAL 23 Cb -0.04 3.36 -0.09 0.00 -1.52 0.00 0.00 31.29 33.01 1cbl h VAL 23 CO -0.03 0.63 0.02 1.23 0.02 0.00 0.00 177.57 179.45 1cbl h GLY 24 N -0.88 0.59 1.62 2.17 0.00 -1.42 0.17 103.07 105.32 1cbl h GLY 24 Ca -0.03 0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.23 1cbl h GLY 24 CO 0.03 -0.15 -0.43 -1.33 0.00 0.00 0.00 176.54 174.66 1cbl h GLY 25 N 0.14 0.45 1.24 4.60 0.00 -1.68 -1.80 103.07 106.01 1cbl h GLY 25 Ca 0.28 -0.45 -0.21 0.00 0.00 0.00 0.00 47.33 46.95 1cbl h GLY 25 CO -0.44 0.41 -0.73 0.83 0.00 0.00 0.00 176.54 176.60 1cbl h GLU 26 N 0.34 0.76 0.02 4.80 4.39 -1.11 -1.85 114.58 121.93 1cbl h GLU 26 Ca 0.03 -0.59 -0.00 0.00 0.34 0.00 0.00 59.36 59.13 1cbl h GLU 26 Cb 0.90 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1cbl h GLU 26 CO 0.08 1.21 -0.01 0.00 -1.16 0.00 0.00 179.01 179.12 1cbl h ALA 27 N 0.63 -0.03 -0.73 3.43 0.00 -0.68 -0.37 119.26 121.52 1cbl h ALA 27 Ca -0.04 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1cbl h ALA 27 Cb 1.35 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1cbl h ALA 27 CO 0.15 -0.23 0.48 1.25 0.00 0.00 0.00 179.25 180.90 1cbl h LEU 28 N -0.60 0.82 -0.42 0.00 5.85 -1.43 0.31 115.31 119.86 1cbl h LEU 28 Ca -0.00 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 1cbl h LEU 28 Cb 0.56 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1cbl h LEU 28 CO 0.00 0.59 -0.31 1.23 -0.34 0.00 0.00 178.44 179.61 1cbl h GLY 29 N 0.97 1.03 1.27 3.75 0.00 -1.37 -2.91 103.07 105.81 1cbl h GLY 29 Ca 0.27 -0.99 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 1cbl h GLY 29 CO -0.07 0.90 -0.01 3.21 0.00 0.00 0.00 176.54 180.57 1cbl h ARG 30 N 0.78 0.88 -0.18 4.80 3.08 -0.69 -2.41 114.38 120.64 1cbl h ARG 30 Ca 0.08 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 59.93 1cbl h ARG 30 Cb 0.90 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.79 1cbl h ARG 30 CO 0.08 0.88 -0.31 1.25 -1.07 0.00 0.00 179.97 180.80 1cbl h LEU 31 N 0.81 -0.99 -1.61 3.04 5.85 -0.77 -0.40 115.31 121.25 1cbl h LEU 31 Ca 0.15 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1cbl h LEU 31 Cb 0.50 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1cbl h LEU 31 CO 0.02 -0.34 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.62 1cbl h LEU 32 N -0.36 0.12 0.13 2.25 3.38 -1.33 -0.90 115.31 118.60 1cbl h LEU 32 Ca 0.11 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 1cbl h LEU 32 Cb 0.53 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.27 1cbl h LEU 32 CO -0.38 0.24 -0.82 0.58 0.09 0.00 0.00 178.44 178.14 1cbl h VAL 33 N 0.13 1.49 0.15 1.22 2.07 -1.08 -3.26 116.25 116.98 1cbl h VAL 33 Ca 0.03 -2.50 -0.29 0.00 0.82 0.00 0.00 66.70 64.76 1cbl h VAL 33 Cb 0.25 3.13 0.02 0.00 -1.52 0.00 0.00 31.29 33.17 1cbl h VAL 33 CO 0.01 0.71 -1.27 0.58 0.02 0.00 0.00 177.57 177.63 1cbl h VAL 34 N -0.31 1.41 -2.64 2.57 2.07 -0.98 -3.38 116.25 114.99 1cbl h VAL 34 Ca -0.14 -2.82 -0.61 0.00 0.82 0.00 0.00 66.70 63.95 1cbl h VAL 34 Cb 1.63 2.88 -0.41 0.00 -1.52 0.00 0.00 31.29 33.87 1cbl h VAL 34 CO 0.16 0.84 -0.65 -1.22 0.02 0.00 0.00 177.57 176.71 1cbl n TYR 35 N -3.64 2.76 0.15 1.57 4.01 -0.35 -4.99 117.16 116.67 1cbl n TYR 35 Ca -0.11 -4.12 0.19 0.00 -0.16 0.00 0.00 57.90 53.70 1cbl n TYR 35 Cb 1.02 -0.50 0.76 0.00 -0.31 0.00 0.00 39.34 40.31 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 4.89 0.00 0.00 -0.72 0.13 -1.75 -1.72 132.00 132.83 1cbl h PRO 36 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1cbl h PRO 36 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1cbl h PRO 36 CO 0.71 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.56 1cbl h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.39 115.95 113.29 1cbl h TRP 37 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.13 1cbl h TRP 37 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.20 1cbl h TRP 37 CO 0.00 0.03 0.00 1.79 0.09 0.00 0.00 178.44 180.35 1cbl h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.62 -2.69 112.91 110.07 1cbl h THR 38 Ca -0.00 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 1cbl h THR 38 Cb 0.12 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1cbl h THR 38 CO 0.00 0.00 -0.04 1.56 -0.25 0.00 0.00 175.52 176.79 1cbl h GLN 39 N 0.00 0.00 -0.38 4.72 4.20 -1.65 -2.62 115.11 119.38 1cbl h GLN 39 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 1cbl h GLN 39 Cb 0.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1cbl h GLN 39 CO 0.00 0.04 0.40 -0.09 -0.67 0.00 0.00 178.83 178.51 1cbl h ARG 40 N 0.00 0.00 0.00 1.46 9.65 -1.70 0.34 114.38 124.13 1cbl h ARG 40 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1cbl h ARG 40 Cb 0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1cbl h ARG 40 CO 0.01 0.00 -0.24 1.19 2.80 0.00 0.00 179.97 183.72 1cbl n PHE 41 N -3.77 0.36 -1.43 2.20 3.72 -0.99 -4.18 117.46 113.37 1cbl n PHE 41 Ca 0.06 0.10 0.07 0.00 -0.05 0.00 0.00 57.45 57.64 1cbl n PHE 41 Cb 0.57 -0.59 0.15 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.82 0.00 -0.17 1.38 3.72 0.12 -4.79 117.46 115.89 1cbl n PHE 42 Ca 0.06 -1.07 0.02 0.00 -0.05 0.00 0.00 57.45 56.40 1cbl n PHE 42 Cb 0.38 -0.18 0.30 0.00 -0.94 0.00 0.00 39.48 39.04 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 0.43 0.86 0.00 -1.08 5.08 -1.70 -0.85 114.58 117.32 1cbl h GLU 43 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1cbl h GLU 43 Cb 1.09 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1cbl h GLU 43 CO 0.01 0.57 0.00 -1.13 -1.00 0.00 0.00 179.01 177.46 1cbl n SER 44 N -4.44 0.00 0.07 1.42 3.41 -1.26 -2.66 113.62 110.15 1cbl n SER 44 Ca 0.07 -0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 1cbl n SER 44 Cb 0.06 -0.23 0.26 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.23 0.61 0.00 7.33 3.01 -0.32 -5.05 117.46 121.80 1cbl n PHE 45 Ca 0.07 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.71 1cbl n PHE 45 Cb 0.10 -0.71 0.00 0.00 -0.01 0.00 0.00 39.48 38.86 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 1.34 0.24 3.72 1.37 0.00 -1.09 -4.72 105.19 106.06 1cbl n GLY 46 Ca 0.04 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 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 7.35 -0.01 1.61 2.15 -1.26 -4.84 116.67 117.67 1cbl s ASP 47 Ca 0.00 1.86 0.07 0.00 0.43 0.00 0.00 52.55 54.91 1cbl s ASP 47 Cb 0.00 -2.59 0.12 0.00 -0.30 0.00 0.00 42.92 40.16 1cbl s ASP 47 CO 0.00 -0.21 1.05 0.18 -0.17 0.00 0.00 175.17 176.02 1cbl n LEU 48 N 3.14 0.43 0.20 -1.34 4.77 -1.26 -4.44 117.00 118.50 1cbl n LEU 48 Ca 0.04 -1.42 0.05 0.00 -0.03 0.00 0.00 56.01 54.66 1cbl n LEU 48 Cb 0.48 -0.04 0.40 0.00 -2.33 0.00 0.00 43.42 41.94 1cbl n LEU 48 CO 0.53 0.36 0.73 0.77 -1.33 0.00 0.00 177.39 178.45 1cbl h SER 49 N 0.25 0.00 -3.78 -1.43 4.64 -1.92 -3.43 113.55 107.87 1cbl h SER 49 Ca -0.05 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.82 1cbl h SER 49 Cb 1.48 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.40 1cbl h SER 49 CO 0.02 0.35 -0.76 0.42 -0.87 0.00 0.00 176.83 175.99 1cbl s THR 50 N -3.93 1.52 0.18 2.95 -4.23 -1.26 -4.99 115.64 105.89 1cbl s THR 50 Ca -0.02 -1.86 -0.19 0.00 -1.18 0.00 0.00 61.69 58.44 1cbl s THR 50 Cb 0.13 -1.71 0.13 0.00 1.34 0.00 0.00 72.50 72.38 1cbl s THR 50 CO 0.69 -0.43 1.62 -0.65 -0.54 0.00 0.00 174.62 175.31 1cbl h PRO 51 N 3.27 -0.13 -0.44 3.99 0.11 -1.98 1.36 132.00 138.17 1cbl h PRO 51 Ca -0.40 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.80 1cbl h PRO 51 Cb 1.20 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1cbl h PRO 51 CO 0.53 -0.09 0.04 -0.44 -0.21 0.00 0.00 178.00 177.83 1cbl h ASP 52 N -0.13 -0.10 -0.78 -2.05 3.32 -1.97 0.90 116.42 115.60 1cbl h ASP 52 Ca 0.22 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.37 1cbl h ASP 52 Cb 0.48 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 1cbl h ASP 52 CO -0.57 -0.02 0.52 0.00 -1.72 0.00 0.00 179.24 177.45 1cbl h ALA 53 N 1.37 0.99 0.78 3.45 0.00 -0.64 -0.39 119.26 124.82 1cbl h ALA 53 Ca 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1cbl h ALA 53 Cb 0.31 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1cbl h ALA 53 CO -0.33 0.40 -0.38 0.28 0.00 0.00 0.00 179.25 179.22 1cbl h VAL 54 N 1.05 0.17 -0.12 0.00 2.07 0.68 -0.90 116.25 119.21 1cbl h VAL 54 Ca 0.29 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 1cbl h VAL 54 Cb -0.11 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1cbl h VAL 54 CO -0.07 0.01 0.06 0.24 0.02 0.00 0.00 177.57 177.83 1cbl h MET 55 N -1.14 0.15 0.00 1.57 2.86 0.57 -2.61 114.93 116.35 1cbl h MET 55 Ca -0.11 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 1cbl h MET 55 Cb 0.82 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1cbl h MET 55 CO 0.18 0.12 -0.57 0.78 1.06 0.00 0.00 176.91 178.48 1cbl h GLY 56 N 0.20 0.00 -6.75 8.32 0.00 -0.99 -3.45 103.07 100.39 1cbl h GLY 56 Ca 0.04 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.78 1cbl h GLY 56 CO -0.01 0.00 1.44 -2.01 0.00 0.00 0.00 176.54 175.97 1cbl n ASN 57 N -3.13 3.20 0.24 0.19 2.85 -0.35 -4.84 115.26 113.42 1cbl n ASN 57 Ca 0.01 0.33 0.08 0.00 -0.11 0.00 0.00 54.58 54.89 1cbl n ASN 57 Cb 0.71 -1.50 0.59 0.00 1.24 0.00 0.00 39.78 40.82 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 14.01 0.00 0.00 1.20 0.11 -1.89 0.38 132.00 145.80 1cbl h PRO 58 Ca -0.40 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 1cbl h PRO 58 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1cbl h PRO 58 CO 0.97 0.14 -0.45 0.87 -0.21 0.00 0.00 178.00 179.32 1cbl h LYS 59 N 0.00 0.00 0.24 1.05 1.79 -1.88 0.30 116.57 118.06 1cbl h LYS 59 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1cbl h LYS 59 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1cbl h LYS 59 CO 0.02 0.45 -0.11 0.28 -1.08 0.00 0.00 179.45 179.00 1cbl h VAL 60 N 0.00 0.64 -0.37 0.50 2.07 -1.28 0.58 116.25 118.38 1cbl h VAL 60 Ca -0.00 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.65 1cbl h VAL 60 Cb 1.24 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 1cbl h VAL 60 CO 0.06 0.16 -0.06 0.11 0.02 0.00 0.00 177.57 177.86 1cbl h LYS 61 N -0.91 0.04 -0.12 1.57 1.57 -0.39 0.52 116.57 118.84 1cbl h LYS 61 Ca -0.03 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1cbl h LYS 61 Cb 0.50 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1cbl h LYS 61 CO 0.05 0.02 -0.33 0.00 -0.57 0.00 0.00 179.45 178.62 1cbl h ALA 62 N 1.35 1.21 -0.22 3.86 0.00 -0.36 -2.40 119.26 122.71 1cbl h ALA 62 Ca 0.18 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1cbl h ALA 62 Cb 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1cbl h ALA 62 CO -0.35 0.53 -0.60 1.25 0.00 0.00 0.00 179.25 180.08 1cbl h HIS 63 N 0.22 0.92 -0.40 0.00 -0.00 0.19 -3.13 115.15 112.95 1cbl h HIS 63 Ca 0.03 -0.34 0.08 0.00 -0.00 0.00 0.00 60.37 60.13 1cbl h HIS 63 Cb 0.70 -0.17 -0.08 0.00 -0.00 0.00 0.00 27.41 27.87 1cbl h HIS 63 CO 0.01 1.14 -0.12 0.78 -0.00 0.00 0.00 177.93 179.74 1cbl h GLY 64 N 0.85 0.25 0.48 5.26 0.00 0.24 -0.53 103.07 109.61 1cbl h GLY 64 Ca -0.00 0.15 0.12 0.00 0.00 0.00 0.00 47.33 47.60 1cbl h GLY 64 CO 0.12 -0.16 0.63 1.70 0.00 0.00 0.00 176.54 178.83 1cbl h LYS 65 N -0.03 0.95 -0.18 4.80 3.64 -1.39 -0.24 116.57 124.12 1cbl h LYS 65 Ca 0.19 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 1cbl h LYS 65 Cb 0.32 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1cbl h LYS 65 CO -0.42 0.63 -0.52 -0.22 -2.27 0.00 0.00 179.45 176.65 1cbl h LYS 66 N 0.98 0.52 -0.17 1.90 3.64 -1.24 -1.52 116.57 120.69 1cbl h LYS 66 Ca 0.49 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1cbl h LYS 66 Cb 0.50 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1cbl h LYS 66 CO -0.26 0.91 -0.20 0.28 -2.27 0.00 0.00 179.45 177.91 1cbl h VAL 67 N 0.41 1.34 -0.00 2.00 2.07 -0.04 -2.66 116.25 119.37 1cbl h VAL 67 Ca 0.01 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.05 1cbl h VAL 67 Cb 1.05 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1cbl h VAL 67 CO 0.10 0.42 -0.41 -0.07 0.02 0.00 0.00 177.57 177.63 1cbl h LEU 68 N 0.08 0.01 0.25 2.57 3.38 -1.06 -2.18 115.31 118.35 1cbl h LEU 68 Ca 0.02 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1cbl h LEU 68 Cb 0.76 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1cbl h LEU 68 CO 0.05 0.42 -0.37 1.23 0.09 0.00 0.00 178.44 179.86 1cbl h GLY 69 N 1.22 -0.80 1.02 0.83 0.00 -1.17 0.18 103.07 104.36 1cbl h GLY 69 Ca -0.00 0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.79 1cbl h GLY 69 CO 0.05 -0.28 0.59 0.00 0.00 0.00 0.00 176.54 176.90 1cbl h ALA 70 N -0.18 1.41 0.52 3.60 0.00 -1.27 -2.76 119.26 120.58 1cbl h ALA 70 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1cbl h ALA 70 Cb 0.66 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1cbl h ALA 70 CO -0.13 0.51 -0.37 0.35 0.00 0.00 0.00 179.25 179.60 1cbl h PHE 71 N 1.15 -1.00 -1.67 0.00 3.57 -0.71 -1.90 116.94 116.39 1cbl h PHE 71 Ca 0.35 -0.00 0.51 0.00 3.53 0.00 0.00 57.97 62.35 1cbl h PHE 71 Cb -0.02 0.37 -0.10 0.00 2.79 0.00 0.00 35.95 39.00 1cbl h PHE 71 CO -0.00 -0.53 1.16 0.77 -2.23 0.00 0.00 178.31 177.48 1cbl h SER 72 N -0.85 0.09 1.60 0.41 0.02 -0.39 0.83 113.55 115.25 1cbl h SER 72 Ca -0.07 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1cbl h SER 72 Cb 0.70 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1cbl h SER 72 CO 0.04 -0.08 -0.40 0.44 -1.14 0.00 0.00 176.83 175.69 1cbl h ASP 73 N 0.02 0.00 0.83 3.07 3.32 -1.11 -3.18 116.42 119.36 1cbl h ASP 73 Ca 0.87 -0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.70 1cbl h ASP 73 Cb 3.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 42.75 1cbl h ASP 73 CO -0.17 0.00 -1.02 1.23 -1.72 0.00 0.00 179.24 177.56 1cbl h GLY 74 N 4.01 0.11 0.49 2.75 0.00 0.13 -3.25 103.07 107.31 1cbl h GLY 74 Ca 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 47.33 47.21 1cbl h GLY 74 CO 0.00 0.22 0.60 1.41 0.00 0.00 0.00 176.54 178.78 1cbl h LEU 75 N 0.03 0.80 -0.05 3.11 3.38 -1.41 0.62 115.31 121.79 1cbl h LEU 75 Ca -0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cbl h LEU 75 Cb 1.75 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1cbl h LEU 75 CO 0.15 0.41 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1cbl n ALA 76 N -2.39 1.93 -2.77 1.53 0.00 -1.22 -3.63 120.51 113.97 1cbl n ALA 76 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.54 1cbl n ALA 76 Cb 0.41 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.60 1.33 0.04 0.00 8.25 0.20 -4.86 115.22 118.58 1cbl n HIS 77 Ca 0.05 -2.26 0.02 0.00 -0.26 0.00 0.00 57.72 55.27 1cbl n HIS 77 Cb 0.25 -0.26 0.13 0.00 1.12 0.00 0.00 29.99 31.23 1cbl n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1cbl n LEU 78 N -0.52 0.12 -0.01 2.41 4.77 -0.11 0.11 117.00 123.78 1cbl n LEU 78 Ca 0.09 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.43 1cbl n LEU 78 Cb 0.81 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1cbl n LEU 78 CO 0.12 -0.53 0.51 -0.78 -1.33 0.00 0.00 177.39 175.38 1cbl h ASP 79 N 0.00 -0.05 -3.04 -1.43 3.58 -1.87 -3.36 116.42 110.25 1cbl h ASP 79 Ca 0.00 -0.58 -0.55 0.00 0.42 0.00 0.00 57.03 56.32 1cbl h ASP 79 Cb 0.18 0.01 -0.40 0.00 1.72 0.00 0.00 39.33 40.85 1cbl h ASP 79 CO 0.00 0.59 -0.77 0.21 -2.88 0.00 0.00 179.24 176.39 1cbl s ASN 80 N -5.77 3.61 -0.18 2.28 3.04 0.31 -4.89 114.94 113.33 1cbl s ASN 80 Ca -0.16 -1.34 -0.01 0.00 0.04 0.00 0.00 52.86 51.39 1cbl s ASN 80 Cb 0.00 -0.61 -0.22 0.00 -1.54 0.00 0.00 41.25 38.88 1cbl s ASN 80 CO 0.62 -0.40 0.10 0.18 -3.04 0.00 0.00 177.10 174.56 1cbl n LEU 81 N 5.04 2.61 -0.25 3.21 4.77 -1.22 -2.89 117.00 128.27 1cbl n LEU 81 Ca -0.05 0.05 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1cbl n LEU 81 Cb 0.43 -0.90 0.32 0.00 -2.33 0.00 0.00 43.42 40.94 1cbl n LEU 81 CO 0.09 0.86 1.23 0.11 -1.33 0.00 0.00 177.39 178.35 1cbl h LYS 82 N 0.03 0.80 0.06 3.23 6.56 -1.90 0.36 116.57 125.71 1cbl h LYS 82 Ca -0.49 -0.05 -0.09 0.00 -1.06 0.00 0.00 60.65 58.96 1cbl h LYS 82 Cb 1.98 -0.18 0.01 0.00 -0.57 0.00 0.00 32.23 33.47 1cbl h LYS 82 CO 0.01 0.53 -0.42 0.78 -2.06 0.00 0.00 179.45 178.28 1cbl h GLY 83 N 0.82 0.15 0.19 3.86 0.00 -1.97 -1.33 103.07 104.79 1cbl h GLY 83 Ca 0.39 -0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.40 1cbl h GLY 83 CO -0.16 0.33 -0.23 -0.84 0.00 0.00 0.00 176.54 175.64 1cbl h THR 84 N -0.73 0.42 -0.05 4.70 2.02 -1.29 -2.88 112.91 115.10 1cbl h THR 84 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1cbl h THR 84 Cb 1.29 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1cbl h THR 84 CO 0.05 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.43 1cbl n PHE 85 N -5.37 0.06 -0.36 3.16 3.72 0.12 -4.43 117.46 114.36 1cbl n PHE 85 Ca -0.01 -0.03 0.09 0.00 -0.05 0.00 0.00 57.45 57.45 1cbl n PHE 85 Cb 0.28 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.09 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 3.88 1.57 0.14 4.37 0.00 -1.00 0.40 119.26 128.61 1cbl h ALA 86 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 1cbl h ALA 86 Cb 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cbl h ALA 86 CO 0.00 0.15 -1.48 1.15 0.00 0.00 0.00 179.25 179.07 1cbl h THR 87 N 0.93 1.22 0.00 0.00 2.02 -1.81 -2.59 112.91 112.69 1cbl h THR 87 Ca 0.52 -2.83 -0.06 0.00 0.77 0.00 0.00 66.41 64.81 1cbl h THR 87 Cb 0.60 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.82 1cbl h THR 87 CO -0.29 0.83 -0.28 -0.07 0.37 0.00 0.00 175.52 176.09 1cbl h LEU 88 N 0.08 0.00 -0.08 2.58 3.38 -1.76 -2.17 115.31 117.34 1cbl h LEU 88 Ca -0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1cbl h LEU 88 Cb 2.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 1cbl h LEU 88 CO 0.18 0.28 -0.06 -1.28 0.09 0.00 0.00 178.44 177.65 1cbl h SER 89 N 0.00 0.18 -0.68 -0.43 0.87 -0.16 -1.84 113.55 111.49 1cbl h SER 89 Ca -0.00 -0.46 0.02 0.00 -1.23 0.00 0.00 61.79 60.12 1cbl h SER 89 Cb 0.76 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 1cbl h SER 89 CO 0.04 0.60 0.43 -0.33 -0.53 0.00 0.00 176.83 177.04 1cbl h GLU 90 N -0.24 0.84 0.36 2.24 3.07 -1.16 -0.00 114.58 119.69 1cbl h GLU 90 Ca 0.01 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1cbl h GLU 90 Cb 0.55 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 1cbl h GLU 90 CO 0.02 0.55 -0.40 1.25 -1.40 0.00 0.00 179.01 179.03 1cbl h LEU 91 N 0.86 -1.09 -0.57 1.33 5.85 -1.33 0.17 115.31 120.54 1cbl h LEU 91 Ca 0.27 0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.96 1cbl h LEU 91 Cb -0.01 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1cbl h LEU 91 CO -0.09 -0.54 -0.15 0.45 -0.34 0.00 0.00 178.44 177.77 1cbl h HIS 92 N -0.79 1.11 0.05 1.25 3.86 -0.99 0.04 115.15 119.68 1cbl h HIS 92 Ca -0.03 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1cbl h HIS 92 Cb 0.72 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1cbl h HIS 92 CO -0.23 1.05 -0.02 0.00 0.86 0.00 0.00 177.93 179.59 1cbl h ASP 94 N -0.99 -0.04 0.00 0.00 5.19 -0.77 -3.15 116.42 116.66 1cbl h ASP 94 Ca -0.01 -0.48 -0.18 0.00 -0.62 0.00 0.00 57.03 55.74 1cbl h ASP 94 Cb 0.39 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1cbl h ASP 94 CO 0.01 0.47 -1.07 0.50 -3.12 0.00 0.00 179.24 176.03 1cbl h LYS 95 N -0.56 0.00 0.00 3.56 3.64 -0.97 -3.42 116.57 118.82 1cbl h LYS 95 Ca -0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1cbl h LYS 95 Cb 0.52 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1cbl h LYS 95 CO 0.01 0.83 -0.72 -0.07 -2.27 0.00 0.00 179.45 177.23 1cbl h LEU 96 N -1.00 0.00 -1.63 5.20 3.38 -1.15 -3.49 115.31 116.62 1cbl h LEU 96 Ca -0.28 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.28 1cbl h LEU 96 Cb 1.15 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.96 1cbl h LEU 96 CO -0.17 0.42 -0.81 1.41 0.09 0.00 0.00 178.44 179.39 1cbl n HIS 97 N -3.08 -2.03 -2.65 1.13 8.25 0.80 -4.95 115.22 112.68 1cbl n HIS 97 Ca -0.01 0.87 -0.42 0.00 -0.26 0.00 0.00 57.72 57.90 1cbl n HIS 97 Cb 0.72 -4.46 -0.03 0.00 1.12 0.00 0.00 29.99 27.34 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 -3.57 4.70 0.31 1.59 1.01 -0.57 -4.99 120.40 118.88 1cbl s VAL 98 Ca 0.10 1.98 -0.29 0.00 0.00 0.00 0.00 61.98 63.77 1cbl s VAL 98 Cb -0.05 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.93 1cbl s VAL 98 CO 0.80 -0.00 1.36 0.47 0.00 0.00 0.00 175.10 177.72 1cbl n ASP 99 N 5.09 2.90 -0.33 3.32 9.92 -1.26 -4.81 116.55 131.38 1cbl n ASP 99 Ca 0.09 1.19 0.16 0.00 -0.53 0.00 0.00 54.79 55.70 1cbl n ASP 99 Cb 0.48 -1.49 0.39 0.00 -0.64 0.00 0.00 41.12 39.87 1cbl n ASP 99 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1cbl h PRO 100 N 3.19 0.60 -0.90 -0.24 0.11 -1.96 -0.56 132.00 132.24 1cbl h PRO 100 Ca -0.46 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.70 1cbl h PRO 100 Cb 1.27 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1cbl h PRO 100 CO 0.67 0.40 0.58 1.49 -0.21 0.00 0.00 178.00 180.93 1cbl h GLU 101 N 0.62 0.91 -0.68 1.05 4.57 -1.99 -2.43 114.58 116.63 1cbl h GLU 101 Ca 0.57 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.71 1cbl h GLU 101 Cb 1.10 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 1cbl h GLU 101 CO -0.35 0.60 0.45 -0.91 -1.18 0.00 0.00 179.01 177.62 1cbl h ASN 102 N 0.93 0.78 -0.63 1.04 2.35 -1.45 -0.66 115.58 117.94 1cbl h ASN 102 Ca 0.41 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1cbl h ASN 102 Cb 0.35 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1cbl h ASN 102 CO -0.17 0.56 0.40 -0.26 -1.65 0.00 0.00 177.43 176.31 1cbl h PHE 103 N 0.92 0.82 -0.53 1.19 0.04 -1.50 -1.14 116.94 116.74 1cbl h PHE 103 Ca 0.25 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.91 1cbl h PHE 103 Cb -0.10 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.76 1cbl h PHE 103 CO -0.00 0.54 -0.13 0.00 -0.60 0.00 0.00 178.31 178.12 1cbl h ARG 104 N 0.86 1.02 -0.44 1.51 3.08 -1.22 -1.32 114.38 117.86 1cbl h ARG 104 Ca 0.23 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 1cbl h ARG 104 Cb -0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1cbl h ARG 104 CO -0.05 1.08 0.08 -0.07 -1.07 0.00 0.00 179.97 179.95 1cbl h LEU 105 N 0.89 0.62 -0.45 3.04 3.38 -0.77 -1.61 115.31 120.40 1cbl h LEU 105 Ca 0.13 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1cbl h LEU 105 Cb 0.71 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1cbl h LEU 105 CO 0.05 0.63 -0.36 0.25 0.09 0.00 0.00 178.44 179.11 1cbl h LEU 106 N 0.64 0.96 -0.56 1.67 5.85 -1.04 -1.87 115.31 120.96 1cbl h LEU 106 Ca 0.14 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1cbl h LEU 106 Cb 0.28 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1cbl h LEU 106 CO 0.00 1.21 0.28 1.23 -0.34 0.00 0.00 178.44 180.82 1cbl h GLY 107 N 0.83 0.79 1.00 3.75 0.00 -0.72 0.17 103.07 108.90 1cbl h GLY 107 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1cbl h GLY 107 CO 0.09 0.10 0.31 3.43 0.00 0.00 0.00 176.54 180.47 1cbl h ASN 108 N 0.53 0.56 -0.32 0.19 2.35 -1.06 -1.86 115.58 115.97 1cbl h ASN 108 Ca 0.25 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 1cbl h ASN 108 Cb 0.18 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1cbl h ASN 108 CO -0.18 0.42 -0.13 -0.37 -1.65 0.00 0.00 177.43 175.51 1cbl h VAL 109 N 0.65 1.29 -0.65 2.81 -1.51 -0.86 -1.71 116.25 116.28 1cbl h VAL 109 Ca 0.18 -1.23 0.09 0.00 -1.23 0.00 0.00 66.70 64.51 1cbl h VAL 109 Cb -0.06 1.40 -0.07 0.00 -2.13 0.00 0.00 31.29 30.44 1cbl h VAL 109 CO -0.04 0.40 0.29 0.25 -1.23 0.00 0.00 177.57 177.24 1cbl h LEU 110 N 0.43 0.35 -0.94 4.19 5.85 -0.53 0.11 115.31 124.78 1cbl h LEU 110 Ca 0.07 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1cbl h LEU 110 Cb 0.66 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1cbl h LEU 110 CO 0.04 0.21 0.12 0.58 -0.34 0.00 0.00 178.44 179.05 1cbl h VAL 111 N 0.51 1.24 -0.28 1.05 2.07 -1.10 -1.77 116.25 117.96 1cbl h VAL 111 Ca 0.32 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.82 1cbl h VAL 111 Cb 0.35 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1cbl h VAL 111 CO -0.27 0.33 -0.37 0.00 0.02 0.00 0.00 177.57 177.27 1cbl h VAL 113 N 0.54 0.95 -0.39 0.00 2.07 -0.37 0.46 116.25 119.51 1cbl h VAL 113 Ca 0.05 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1cbl h VAL 113 Cb 0.88 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 1cbl h VAL 113 CO 0.08 0.06 -0.03 -0.07 0.02 0.00 0.00 177.57 177.63 1cbl h LEU 114 N -0.28 -0.22 -0.19 2.57 3.38 -1.28 0.03 115.31 119.31 1cbl h LEU 114 Ca -0.02 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1cbl h LEU 114 Cb 0.23 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1cbl h LEU 114 CO 0.03 -0.07 -0.10 0.00 0.09 0.00 0.00 178.44 178.39 1cbl h ALA 115 N 1.36 0.06 -0.52 1.53 0.00 -1.20 0.38 119.26 120.87 1cbl h ALA 115 Ca 0.19 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1cbl h ALA 115 Cb 0.28 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1cbl h ALA 115 CO -0.34 -0.53 0.34 1.25 0.00 0.00 0.00 179.25 179.97 1cbl h HIS 116 N -0.08 0.61 0.17 0.00 -0.00 -0.07 -2.18 115.15 113.60 1cbl h HIS 116 Ca 0.11 0.01 -0.35 0.00 -0.00 0.00 0.00 60.37 60.15 1cbl h HIS 116 Cb 0.24 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1cbl h HIS 116 CO -0.26 0.37 -1.75 1.25 -0.00 0.00 0.00 177.93 177.54 1cbl h HIS 117 N 0.65 0.66 -0.98 5.26 6.17 -0.40 -3.40 115.15 123.11 1cbl h HIS 117 Ca 0.20 -0.48 -0.56 0.00 0.71 0.00 0.00 60.37 60.24 1cbl h HIS 117 Cb -0.01 -0.03 -0.43 0.00 2.52 0.00 0.00 27.41 29.47 1cbl h HIS 117 CO -0.00 1.69 -0.80 1.19 0.71 0.00 0.00 177.93 180.72 1cbl n PHE 118 N -3.62 2.94 0.00 5.26 3.72 0.13 -5.04 117.46 120.85 1cbl n PHE 118 Ca -0.26 -2.49 0.00 0.00 -0.05 0.00 0.00 57.45 54.65 1cbl n PHE 118 Cb 1.05 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 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 -0.64 0.00 0.32 1.37 0.00 -0.82 0.18 105.19 105.59 1cbl n GLY 119 Ca 0.42 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.65 1cbl n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cbl h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.96 -1.00 116.57 118.86 1cbl h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1cbl h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1cbl h LYS 120 CO 0.00 0.01 -0.13 0.93 -2.27 0.00 0.00 179.45 177.99 1cbl h GLU 121 N 0.00 0.00 -4.93 1.90 5.08 -1.13 -3.36 114.58 112.14 1cbl h GLU 121 Ca -0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 1cbl h GLU 121 Cb 0.11 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.25 1cbl h GLU 121 CO 0.00 0.13 2.05 0.34 -1.00 0.00 0.00 179.01 180.53 1cbl n PHE 122 N -3.15 4.38 -1.88 4.33 7.35 0.13 -4.94 117.46 123.67 1cbl n PHE 122 Ca 0.03 -3.02 -0.30 0.00 -0.76 0.00 0.00 57.45 53.39 1cbl n PHE 122 Cb 0.53 -2.40 0.05 0.00 0.35 0.00 0.00 39.48 38.01 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 2.73 3.44 0.18 -2.13 -4.23 -1.26 -4.78 115.64 109.59 1cbl s THR 123 Ca 0.48 0.47 -0.21 0.00 -1.18 0.00 0.00 61.69 61.25 1cbl s THR 123 Cb 0.04 -3.46 0.12 0.00 1.34 0.00 0.00 72.50 70.54 1cbl s THR 123 CO 0.02 -0.61 1.59 -0.65 -0.54 0.00 0.00 174.62 174.43 1cbl h PRO 124 N -0.67 -0.16 0.00 3.99 0.11 -1.95 0.24 132.00 133.56 1cbl h PRO 124 Ca -0.45 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1cbl h PRO 124 Cb 1.26 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1cbl h PRO 124 CO 0.64 -0.11 -0.22 -1.00 -0.21 0.00 0.00 178.00 177.10 1cbl h PRO 125 N -0.17 0.00 -0.09 1.05 0.13 -1.98 0.17 132.00 131.11 1cbl h PRO 125 Ca 0.22 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.13 1cbl h PRO 125 Cb 0.54 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.68 1cbl h PRO 125 CO -0.64 0.22 -0.81 0.28 -0.23 0.00 0.00 178.00 176.82 1cbl h VAL 126 N 0.00 1.30 -0.50 1.56 2.07 -1.54 -1.48 116.25 117.66 1cbl h VAL 126 Ca -0.00 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1cbl h VAL 126 Cb 0.55 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1cbl h VAL 126 CO 0.03 0.64 0.33 -0.61 0.02 0.00 0.00 177.57 177.97 1cbl h GLN 127 N 0.39 0.66 -0.56 1.57 4.15 0.18 -0.39 115.11 121.11 1cbl h GLN 127 Ca -0.08 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.32 1cbl h GLN 127 Cb 1.46 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.97 1cbl h GLN 127 CO 0.16 0.44 0.36 0.00 -1.93 0.00 0.00 178.83 177.86 1cbl h ALA 128 N 1.18 0.72 -0.10 3.38 0.00 -0.97 -0.23 119.26 123.25 1cbl h ALA 128 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1cbl h ALA 128 Cb -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1cbl h ALA 128 CO -0.04 0.10 0.04 0.00 0.00 0.00 0.00 179.25 179.35 1cbl h ALA 129 N 1.23 0.13 -0.35 0.00 0.00 -0.64 -2.90 119.26 116.73 1cbl h ALA 129 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1cbl h ALA 129 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1cbl h ALA 129 CO -0.07 -0.28 0.12 1.88 0.00 0.00 0.00 179.25 180.89 1cbl h TYR 130 N -0.01 0.50 -0.64 0.00 0.05 -0.80 -2.68 116.97 113.38 1cbl h TYR 130 Ca 0.03 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1cbl h TYR 130 Cb 0.18 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 1cbl h TYR 130 CO -0.01 0.41 0.26 0.37 -1.05 0.00 0.00 178.16 178.14 1cbl h GLN 131 N 0.50 0.96 -0.66 4.88 5.75 -0.93 -0.46 115.11 125.15 1cbl h GLN 131 Ca 0.12 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1cbl h GLN 131 Cb 0.14 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 1cbl h GLN 131 CO -0.01 0.80 0.31 0.87 -2.65 0.00 0.00 178.83 178.16 1cbl h LYS 132 N 0.90 0.93 0.03 1.69 1.79 -1.30 -0.81 116.57 119.81 1cbl h LYS 132 Ca 0.22 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1cbl h LYS 132 Cb 0.20 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1cbl h LYS 132 CO -0.02 0.72 -0.02 0.28 -1.08 0.00 0.00 179.45 179.34 1cbl h VAL 133 N 0.93 1.34 -0.27 0.50 2.07 -1.14 -1.85 116.25 117.82 1cbl h VAL 133 Ca 0.23 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 1cbl h VAL 133 Cb 0.10 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1cbl h VAL 133 CO -0.03 0.32 -0.12 -0.37 0.02 0.00 0.00 177.57 177.39 1cbl h VAL 134 N -0.61 1.22 -0.25 2.57 -1.51 -1.01 0.04 116.25 116.70 1cbl h VAL 134 Ca -0.00 -0.98 -0.11 0.00 -1.23 0.00 0.00 66.70 64.38 1cbl h VAL 134 Cb 0.56 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1cbl h VAL 134 CO 0.01 0.32 -0.30 0.00 -1.23 0.00 0.00 177.57 176.37 1cbl h ALA 135 N 1.45 1.02 -0.28 5.19 0.00 -1.17 -1.24 119.26 124.23 1cbl h ALA 135 Ca 0.08 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1cbl h ALA 135 Cb 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cbl h ALA 135 CO 0.03 0.59 -0.36 0.78 0.00 0.00 0.00 179.25 180.28 1cbl h GLY 136 N 1.04 0.81 0.91 0.00 0.00 -0.69 -1.98 103.07 103.16 1cbl h GLY 136 Ca 0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 47.33 46.47 1cbl h GLY 136 CO 0.06 0.79 0.05 -2.08 0.00 0.00 0.00 176.54 175.35 1cbl h VAL 137 N 0.49 1.24 -0.72 4.60 2.07 -0.97 -1.92 116.25 121.05 1cbl h VAL 137 Ca 0.03 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1cbl h VAL 137 Cb 0.95 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1cbl h VAL 137 CO 0.09 0.29 0.38 0.00 0.02 0.00 0.00 177.57 178.34 1cbl h ALA 138 N 0.89 0.92 -0.25 1.67 0.00 -1.19 0.97 119.26 122.28 1cbl h ALA 138 Ca 0.10 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1cbl h ALA 138 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1cbl h ALA 138 CO 0.01 0.45 -0.27 -0.97 0.00 0.00 0.00 179.25 178.47 1cbl h ASN 139 N 0.99 0.49 -0.04 0.00 -0.73 -1.31 -2.07 115.58 112.92 1cbl h ASN 139 Ca 0.25 -0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 1cbl h ASN 139 Cb 0.06 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.51 1cbl h ASN 139 CO -0.04 0.75 -0.01 0.00 -0.37 0.00 0.00 177.43 177.76 1cbl h ALA 140 N 1.29 0.05 0.00 1.57 0.00 -1.03 -2.77 119.26 118.37 1cbl h ALA 140 Ca 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1cbl h ALA 140 Cb 0.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1cbl h ALA 140 CO 0.05 -0.25 -0.19 -0.07 0.00 0.00 0.00 179.25 178.79 1cbl h LEU 141 N -0.28 0.00 -1.30 0.00 3.38 -0.77 -3.05 115.31 113.29 1cbl h LEU 141 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1cbl h LEU 141 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1cbl h LEU 141 CO 0.00 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1cbl n ALA 142 N -2.43 2.53 -0.20 1.53 0.00 -0.78 -4.44 120.51 116.71 1cbl n ALA 142 Ca -0.02 -0.55 0.11 0.00 0.00 0.00 0.00 53.44 52.98 1cbl n ALA 142 Cb 0.27 -1.05 0.41 0.00 0.00 0.00 0.00 19.45 19.08 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 3.04 0.69 0.00 0.00 6.17 -1.38 -1.15 115.15 122.52 1cbl h HIS 143 Ca 0.00 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.09 1cbl h HIS 143 Cb 0.65 -0.22 -0.00 0.00 2.52 0.00 0.00 27.41 30.36 1cbl h HIS 143 CO 0.03 0.30 -0.02 0.87 0.71 0.00 0.00 177.93 179.82 1cbl h LYS 144 N 0.63 0.00 0.00 5.26 1.79 -1.83 -1.54 116.57 120.87 1cbl h LYS 144 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1cbl h LYS 144 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1cbl h LYS 144 CO -0.14 0.02 -0.05 1.88 -1.08 0.00 0.00 179.45 180.08 1cbl h TYR 145 N 0.00 0.00 -0.02 -1.35 0.05 -1.56 -3.49 116.97 110.60 1cbl h TYR 145 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1cbl h TYR 145 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1cbl h TYR 145 CO 0.00 0.00 0.00 0.72 -1.05 0.00 0.00 178.16 177.83