#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl n SER 2 N 0.00 0.00 0.00 0.00 2.88 -1.26 -5.10 113.62 110.14 3abl n SER 2 Ca 0.00 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3abl n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3abl n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3abl n ALA 3 N 0.00 0.00 0.00 -1.46 0.00 -1.26 -4.33 120.51 113.47 3abl n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abl n ALA 3 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3abl n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3abl n ALA 4 N 0.00 0.00 -2.24 0.00 0.00 -1.26 -5.16 120.51 111.85 3abl n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abl n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3abl n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3abl n LYS 5 N 0.00 0.00 0.07 0.00 5.02 -1.26 -5.16 118.16 116.84 3abl n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3abl n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3abl n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3abl n GLY 6 N 5.00 -1.84 0.00 0.72 0.00 -1.26 -5.14 105.19 102.67 3abl n GLY 6 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3abl n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3abl n ASP 7 N -2.73 0.00 0.00 1.61 -0.08 -1.26 -4.85 116.55 109.25 3abl n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3abl n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3abl n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3abl n HIS 8 N -0.25 0.00 0.23 -0.67 8.25 -1.26 -4.75 115.22 116.77 3abl n HIS 8 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 3abl n HIS 8 Cb 0.00 -0.77 -0.08 0.00 1.12 0.00 0.00 29.99 30.26 3abl n HIS 8 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3abl h GLY 9 N 0.00 -0.61 0.00 -1.41 0.00 -2.09 -3.52 103.07 95.44 3abl h GLY 9 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3abl h GLY 9 CO 0.00 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 176.92 3abl n GLY 10 N -1.36 5.52 0.00 4.60 0.00 -1.26 -5.30 105.19 107.39 3abl n GLY 10 Ca -0.10 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3abl n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abl n GLY 12 N 0.00 1.51 0.36 -0.02 0.00 -1.26 -4.85 105.19 100.93 3abl n GLY 12 Ca 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 3abl n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abl h ALA 13 N 0.00 1.22 -0.78 4.61 0.00 -2.05 -2.60 119.26 119.66 3abl h ALA 13 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3abl h ALA 13 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 3abl h ALA 13 CO 0.00 0.65 0.50 -0.09 0.00 0.00 0.00 179.25 180.31 3abl h ARG 14 N 1.25 1.04 0.18 0.00 2.43 -1.99 -0.66 114.38 116.62 3abl h ARG 14 Ca 0.32 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3abl h ARG 14 Cb -0.02 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3abl h ARG 14 CO -0.06 0.71 -0.09 1.15 -1.51 0.00 0.00 179.97 180.18 3abl h THR 15 N 1.06 0.90 -0.75 0.20 2.02 -1.84 -0.21 112.91 114.29 3abl h THR 15 Ca 0.28 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3abl h THR 15 Cb -0.09 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3abl h THR 15 CO -0.06 0.08 0.48 -0.50 0.37 0.00 0.00 175.52 175.90 3abl h TRP 16 N -0.41 0.97 -0.61 3.16 4.06 -1.26 0.16 115.95 122.01 3abl h TRP 16 Ca -0.02 0.01 -0.09 0.00 2.06 0.00 0.00 58.89 60.85 3abl h TRP 16 Cb 0.32 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 3abl h TRP 16 CO -0.01 0.62 0.03 -0.09 -3.56 0.00 0.00 178.44 175.43 3abl h ARG 17 N 1.03 1.04 -0.66 0.49 2.43 -1.11 0.14 114.38 117.75 3abl h ARG 17 Ca 0.27 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3abl h ARG 17 Cb -0.09 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 3abl h ARG 17 CO -0.06 1.00 0.39 0.35 -1.51 0.00 0.00 179.97 180.14 3abl h PHE 18 N 0.96 0.72 -0.25 2.20 -0.00 -0.13 -1.50 116.94 118.95 3abl h PHE 18 Ca 0.18 0.02 -0.12 0.00 -0.00 0.00 0.00 57.97 58.05 3abl h PHE 18 Cb 0.51 -0.23 -0.01 0.00 -0.00 0.00 0.00 35.95 36.22 3abl h PHE 18 CO 0.04 0.38 -0.36 -0.07 -0.00 0.00 0.00 178.31 178.29 3abl h LEU 19 N 0.74 0.57 -0.09 0.59 3.38 -0.82 0.22 115.31 119.90 3abl h LEU 19 Ca 0.28 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3abl h LEU 19 Cb 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3abl h LEU 19 CO -0.15 0.89 0.05 0.74 0.09 0.00 0.00 178.44 180.06 3abl h THR 20 N 0.46 1.09 0.00 0.22 2.02 0.26 -0.50 112.91 116.45 3abl h THR 20 Ca 0.05 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 66.84 3abl h THR 20 Cb 0.84 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 3abl h THR 20 CO 0.07 0.08 -0.93 -0.26 0.37 0.00 0.00 175.52 174.85 3abl h PHE 21 N 0.05 0.00 0.00 3.16 -1.00 -1.39 0.22 116.94 117.98 3abl h PHE 21 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3abl h PHE 21 Cb 0.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.64 3abl h PHE 21 CO -0.04 0.57 -1.34 0.41 -1.61 0.00 0.00 178.31 176.29 3abl n GLY 22 N 1.31 -1.00 1.48 -1.45 0.00 0.76 -4.36 105.19 101.93 3abl n GLY 22 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3abl n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3abl n LEU 23 N -1.77 0.29 0.15 0.99 7.94 -0.90 -4.79 117.00 118.92 3abl n LEU 23 Ca 0.01 0.18 -0.13 0.00 -1.11 0.00 0.00 56.01 54.96 3abl n LEU 23 Cb 0.41 0.01 -0.08 0.00 0.53 0.00 0.00 43.42 44.30 3abl n LEU 23 CO 0.44 -0.55 0.53 0.00 -1.11 0.00 0.00 177.39 176.70 3abl h ALA 24 N 0.00 -0.41 -0.42 1.96 0.00 -1.04 -2.12 119.26 117.23 3abl h ALA 24 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3abl h ALA 24 Cb 0.22 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3abl h ALA 24 CO 0.00 -0.55 -0.24 -0.07 0.00 0.00 0.00 179.25 178.39 3abl h LEU 25 N -0.77 0.88 -1.10 0.00 3.38 -0.79 -2.18 115.31 114.73 3abl h LEU 25 Ca -0.04 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.65 3abl h LEU 25 Cb 0.51 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3abl h LEU 25 CO 0.07 1.07 0.61 -0.65 0.09 0.00 0.00 178.44 179.63 3abl h PRO 26 N 0.74 1.08 -0.45 1.13 0.11 -1.75 -1.18 132.00 131.67 3abl h PRO 26 Ca 0.10 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 66.19 3abl h PRO 26 Cb 0.78 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.60 3abl h PRO 26 CO 0.06 0.72 0.19 0.77 -0.21 0.00 0.00 178.00 179.53 3abl h SER 27 N 1.12 0.24 -0.25 -2.05 0.02 -1.19 0.57 113.55 112.00 3abl h SER 27 Ca 0.39 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.40 3abl h SER 27 Cb 0.11 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3abl h SER 27 CO -0.14 0.17 0.09 0.58 -1.14 0.00 0.00 176.83 176.40 3abl h VAL 28 N 0.38 0.94 -0.79 2.27 2.07 -1.01 -0.40 116.25 119.71 3abl h VAL 28 Ca 0.21 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3abl h VAL 28 Cb 0.17 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3abl h VAL 28 CO -0.18 0.04 0.44 0.00 0.02 0.00 0.00 177.57 177.89 3abl h ALA 29 N 1.15 1.02 0.13 1.67 0.00 -0.97 0.62 119.26 122.88 3abl h ALA 29 Ca 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3abl h ALA 29 Cb 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3abl h ALA 29 CO -0.11 0.52 -0.28 -0.07 0.00 0.00 0.00 179.25 179.32 3abl h LEU 30 N 1.10 -0.78 -1.53 0.00 3.38 -0.64 -0.18 115.31 116.65 3abl h LEU 30 Ca 0.28 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 3abl h LEU 30 Cb 0.02 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3abl h LEU 30 CO -0.05 -0.37 -0.16 0.00 0.09 0.00 0.00 178.44 177.96 3abl h THR 32 N 0.10 1.29 0.43 0.00 2.02 -0.68 -1.01 112.91 115.07 3abl h THR 32 Ca 0.02 -1.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.36 3abl h THR 32 Cb 0.34 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3abl h THR 32 CO 0.02 0.58 -0.29 0.25 0.37 0.00 0.00 175.52 176.45 3abl h LEU 33 N 0.51 -0.75 -0.85 2.58 7.12 -0.89 -0.17 115.31 122.87 3abl h LEU 33 Ca -0.02 0.05 0.18 0.00 0.13 0.00 0.00 57.88 58.22 3abl h LEU 33 Cb 1.24 0.23 -0.11 0.00 -0.53 0.00 0.00 40.66 41.49 3abl h LEU 33 CO 0.13 -0.45 0.39 -1.13 -0.13 0.00 0.00 178.44 177.25 3abl h ASN 34 N -0.70 0.39 0.01 1.25 -0.73 -0.97 -2.21 115.58 112.61 3abl h ASN 34 Ca -0.04 0.12 -0.26 0.00 1.87 0.00 0.00 56.30 57.98 3abl h ASN 34 Cb 0.59 0.08 0.02 0.00 0.27 0.00 0.00 38.32 39.28 3abl h ASN 34 CO 0.03 0.11 -1.02 0.28 -0.37 0.00 0.00 177.43 176.45 3abl h SER 35 N 0.49 0.90 -1.35 1.15 0.02 -1.19 -2.83 113.55 110.75 3abl h SER 35 Ca 0.49 -0.71 -0.75 0.00 -0.84 0.00 0.00 61.79 59.98 3abl h SER 35 Cb 0.81 -0.28 -0.14 0.00 0.14 0.00 0.00 62.40 62.93 3abl h SER 35 CO -0.44 1.52 2.04 0.79 -1.14 0.00 0.00 176.83 179.59 3abl n TRP 36 N -3.86 3.34 0.00 3.45 5.03 -0.08 -2.17 117.44 123.16 3abl n TRP 36 Ca -0.11 -2.89 0.00 0.00 3.03 0.00 0.00 57.50 57.53 3abl n TRP 36 Cb 0.87 -2.06 0.00 0.00 -1.03 0.00 0.00 31.31 29.10 3abl n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 3abl n LEU 37 N 4.45 0.00 0.00 -0.99 7.94 -1.26 -4.89 117.00 122.25 3abl n LEU 37 Ca 0.41 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.42 3abl n LEU 37 Cb 0.38 0.00 0.68 0.00 0.53 0.00 0.00 43.42 45.00 3abl n LEU 37 CO 0.80 0.00 0.93 1.41 -1.11 0.00 0.00 177.39 179.42 3abl n HIS 38 N 0.00 0.00 0.00 1.96 8.25 -1.07 -4.70 115.22 119.67 3abl n HIS 38 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3abl n HIS 38 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3abl n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3abl n SER 39 N -0.86 0.00 -0.05 0.41 3.41 -0.92 -4.98 113.62 110.63 3abl n SER 39 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3abl n SER 39 Cb 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3abl n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3abl n GLY 40 N 0.00 0.00 3.58 5.00 0.00 -1.26 -4.62 105.19 107.89 3abl n GLY 40 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 3abl n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3abl n HIS 41 N 0.09 1.89 -2.33 1.61 8.25 -1.26 -4.96 115.22 118.51 3abl n HIS 41 Ca 0.00 0.36 -0.41 0.00 -0.26 0.00 0.00 57.72 57.41 3abl n HIS 41 Cb 0.00 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 28.56 3abl n HIS 41 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3abl s ARG 42 N 4.79 4.46 -0.56 -0.41 0.52 -1.26 -4.96 118.95 121.52 3abl s ARG 42 Ca 1.03 1.93 -0.27 0.00 -0.52 0.00 0.00 55.73 57.90 3abl s ARG 42 Cb -0.95 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 31.27 3abl s ARG 42 CO 0.57 -0.13 1.94 -2.00 0.02 0.00 0.00 175.30 175.71 3abl s GLU 43 N -0.26 2.61 -0.12 3.54 -6.30 -1.26 -4.93 118.70 111.98 3abl s GLU 43 Ca 0.54 0.82 -0.23 0.00 -2.50 0.00 0.00 54.97 53.59 3abl s GLU 43 Cb -0.34 -4.40 -0.11 0.00 0.00 0.00 0.00 34.13 29.28 3abl s GLU 43 CO 0.37 -2.73 0.71 2.89 0.02 0.00 0.00 175.26 176.52 3abl n ARG 44 N 9.08 0.00 -2.39 4.30 1.85 -1.26 -4.94 116.66 123.30 3abl n ARG 44 Ca 0.23 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.77 3abl n ARG 44 Cb 0.52 -0.82 -0.02 0.00 -1.05 0.00 0.00 32.46 31.10 3abl n ARG 44 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3abl s PRO 45 N 0.71 3.75 0.44 2.89 0.04 -1.26 -5.00 135.00 136.57 3abl s PRO 45 Ca 0.53 0.67 -0.25 0.00 0.04 0.00 0.00 61.00 61.99 3abl s PRO 45 Cb -0.74 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 3abl s PRO 45 CO 0.37 -0.29 1.21 0.00 0.04 0.00 0.00 177.00 178.33 3abl n ALA 46 N -1.94 1.05 -2.41 8.56 0.00 -1.26 -4.89 120.51 119.62 3abl n ALA 46 Ca 0.05 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 3abl n ALA 46 Cb 0.54 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 3abl n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3abl s PHE 47 N -1.23 3.28 -0.10 0.00 2.19 -1.26 -5.03 117.98 115.83 3abl s PHE 47 Ca 0.63 1.21 0.00 0.00 0.33 0.00 0.00 56.93 59.10 3abl s PHE 47 Cb -0.51 -3.45 0.02 0.00 -1.31 0.00 0.00 43.02 37.77 3abl s PHE 47 CO 0.57 -1.44 -0.08 0.42 1.83 0.00 0.00 175.22 176.51 3abl s ILE 48 N 1.64 1.01 -0.78 3.12 1.01 -1.26 -5.06 121.20 120.89 3abl s ILE 48 Ca 0.58 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 3abl s ILE 48 Cb -0.28 -1.01 -0.17 0.00 0.01 0.00 0.00 42.46 41.01 3abl s ILE 48 CO 0.26 0.36 3.14 -0.81 0.00 0.00 0.00 174.94 177.88 3abl n PRO 49 N 4.65 2.69 -1.48 2.79 -0.04 -1.26 -4.93 135.00 137.42 3abl n PRO 49 Ca -0.15 -1.53 -0.50 0.00 -0.04 0.00 0.00 63.50 61.28 3abl n PRO 49 Cb 0.50 -2.37 -0.04 0.00 -0.04 0.00 0.00 33.50 31.56 3abl n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3abl n TYR 50 N 3.11 0.30 1.01 0.54 4.01 -1.26 -4.88 117.16 119.99 3abl n TYR 50 Ca 0.57 0.91 0.13 0.00 -0.16 0.00 0.00 57.90 59.35 3abl n TYR 50 Cb 0.53 -2.08 0.49 0.00 -0.31 0.00 0.00 39.34 37.98 3abl n TYR 50 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3abl n HIS 51 N 0.66 0.00 1.20 -0.72 8.25 -1.26 -3.20 115.22 120.15 3abl n HIS 51 Ca 0.17 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.76 3abl n HIS 51 Cb 0.22 -0.40 0.32 0.00 1.12 0.00 0.00 29.99 31.24 3abl n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3abl n HIS 52 N -1.48 0.04 -4.49 4.41 1.44 -1.26 -4.88 115.22 108.99 3abl n HIS 52 Ca 0.07 -0.02 -0.24 0.00 -2.01 0.00 0.00 57.72 55.52 3abl n HIS 52 Cb 0.34 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.34 3abl n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3abl s LEU 53 N -1.94 2.62 -1.35 2.39 1.43 -1.19 -4.77 118.68 115.86 3abl s LEU 53 Ca 0.33 -1.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.21 3abl s LEU 53 Cb 0.20 -0.85 -0.00 0.00 0.03 0.00 0.00 46.19 45.58 3abl s LEU 53 CO 0.31 -0.26 0.51 0.54 0.23 0.00 0.00 176.35 177.69 3abl n ARG 54 N -0.70 -3.34 -2.29 1.70 3.00 -1.26 -4.86 116.66 108.91 3abl n ARG 54 Ca -0.05 0.45 -0.40 0.00 -0.01 0.00 0.00 57.85 57.84 3abl n ARG 54 Cb 0.63 -4.59 -0.03 0.00 0.00 0.00 0.00 32.46 28.47 3abl n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3abl s ILE 55 N -3.85 3.09 -0.30 0.55 -1.09 -1.26 -4.72 121.20 113.63 3abl s ILE 55 Ca 0.06 1.08 -0.02 0.00 -2.23 0.00 0.00 60.65 59.54 3abl s ILE 55 Cb -0.02 -3.68 0.12 0.00 -1.58 0.00 0.00 42.46 37.29 3abl s ILE 55 CO 0.87 0.24 0.19 -0.13 -1.23 0.00 0.00 174.94 174.89 3abl s ARG 56 N -1.69 0.29 -0.00 2.79 1.81 -1.26 -4.95 118.95 115.93 3abl s ARG 56 Ca 0.48 -0.54 0.13 0.00 -1.72 0.00 0.00 55.73 54.07 3abl s ARG 56 Cb -0.35 -1.03 -0.15 0.00 -0.45 0.00 0.00 34.95 32.96 3abl s ARG 56 CO 0.46 -1.05 0.52 0.25 -0.68 0.00 0.00 175.30 174.80 3abl n THR 57 N 5.07 0.00 -3.63 0.02 -2.24 -1.26 -4.98 114.28 107.26 3abl n THR 57 Ca -0.02 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.44 3abl n THR 57 Cb 0.43 0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 69.46 3abl n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3abl s LYS 58 N -2.35 0.71 0.44 -0.78 2.20 -1.26 -5.15 119.74 113.55 3abl s LYS 58 Ca 0.03 0.93 -0.25 0.00 -0.36 0.00 0.00 55.97 56.32 3abl s LYS 58 Cb 0.10 0.30 -0.08 0.00 -1.51 0.00 0.00 37.83 36.64 3abl s LYS 58 CO 0.54 -0.10 1.40 -2.14 -0.36 0.00 0.00 175.35 174.70 3abl s PRO 59 N 0.63 3.75 0.63 4.03 0.02 -1.26 -4.97 135.00 137.83 3abl s PRO 59 Ca -0.02 2.37 -0.17 0.00 0.02 0.00 0.00 61.00 63.20 3abl s PRO 59 Cb -0.05 -2.68 -0.01 0.00 0.02 0.00 0.00 34.50 31.78 3abl s PRO 59 CO -0.05 -0.75 1.15 -0.06 -0.33 0.00 0.00 177.00 176.96 3abl s PHE 60 N -1.21 2.46 -0.58 6.54 0.40 -0.43 -4.89 117.98 120.27 3abl s PHE 60 Ca 0.60 1.55 0.05 0.00 -0.60 0.00 0.00 56.93 58.53 3abl s PHE 60 Cb -0.43 -3.32 0.32 0.00 0.51 0.00 0.00 43.02 40.10 3abl s PHE 60 CO 0.55 -1.97 1.09 0.43 0.70 0.00 0.00 175.22 176.02 3abl n SER 61 N -2.06 3.01 -4.07 1.36 7.64 -1.26 -3.96 113.62 114.28 3abl n SER 61 Ca 0.12 -2.44 -0.07 0.00 1.01 0.00 0.00 58.87 57.49 3abl n SER 61 Cb 0.51 -0.59 -0.10 0.00 -1.01 0.00 0.00 64.21 63.02 3abl n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3abl s TRP 62 N -1.62 0.49 0.00 1.43 -2.14 -1.26 -5.04 118.94 110.80 3abl s TRP 62 Ca 0.22 -1.02 0.00 0.00 2.66 0.00 0.00 56.10 57.96 3abl s TRP 62 Cb 0.17 -0.35 0.00 0.00 -3.10 0.00 0.00 33.47 30.19 3abl s TRP 62 CO 0.06 -0.41 0.00 0.41 -2.66 0.00 0.00 176.95 174.35 3abl n GLY 63 N 0.08 2.47 0.89 3.67 0.00 -1.26 -1.30 105.19 109.75 3abl n GLY 63 Ca -0.14 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.47 3abl n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3abl n ASP 64 N 1.61 2.59 0.00 1.61 5.75 -1.26 -4.90 116.55 121.94 3abl n ASP 64 Ca 0.00 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 3abl n ASP 64 Cb 0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 3abl n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3abl n GLY 65 N 1.09 1.50 0.00 6.12 0.00 -0.42 -4.77 105.19 108.72 3abl n GLY 65 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3abl n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3abl n ASN 66 N 0.00 1.17 -4.35 1.61 5.15 -1.26 -1.32 115.26 116.26 3abl n ASN 66 Ca 0.00 -1.38 -0.32 0.00 -0.60 0.00 0.00 54.58 52.28 3abl n ASN 66 Cb 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.10 3abl n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3abl s HIS 67 N -0.38 2.46 0.88 1.20 3.76 -1.26 -4.90 115.29 117.05 3abl s HIS 67 Ca 0.00 -0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 54.37 3abl s HIS 67 Cb 0.00 -1.56 0.12 0.00 1.11 0.00 0.00 32.58 32.25 3abl s HIS 67 CO 0.00 -0.02 1.10 0.95 -0.85 0.00 0.00 174.74 175.92 3abl s THR 68 N -0.53 2.64 0.16 1.30 -4.23 -1.26 -4.91 115.64 108.80 3abl s THR 68 Ca 0.07 0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.70 3abl s THR 68 Cb -0.11 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 3abl s THR 68 CO 0.00 -0.27 1.52 0.15 -0.54 0.00 0.00 174.62 175.48 3abl h PHE 69 N -1.47 1.08 -1.27 3.99 3.04 -2.00 -2.03 116.94 118.28 3abl h PHE 69 Ca -0.50 -0.30 -0.65 0.00 3.98 0.00 0.00 57.97 60.50 3abl h PHE 69 Cb 1.29 -0.24 -0.35 0.00 2.56 0.00 0.00 35.95 39.22 3abl h PHE 69 CO 0.41 1.11 0.19 1.19 -2.02 0.00 0.00 178.31 179.19 3abl n PHE 70 N -4.07 3.09 -1.68 0.41 3.01 -1.26 -5.05 117.46 111.90 3abl n PHE 70 Ca -0.01 -2.68 -0.53 0.00 1.01 0.00 0.00 57.45 55.25 3abl n PHE 70 Cb 0.51 -0.85 -0.06 0.00 -0.01 0.00 0.00 39.48 39.07 3abl n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3abl n HIS 71 N -0.70 2.12 -3.69 1.38 -0.00 -0.77 -4.97 115.22 108.60 3abl n HIS 71 Ca 0.52 0.32 -0.39 0.00 0.46 0.00 0.00 57.72 58.63 3abl n HIS 71 Cb 0.64 -2.53 -0.11 0.00 -0.12 0.00 0.00 29.99 27.86 3abl n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3abl s ASN 72 N 3.22 5.45 0.53 0.26 3.84 -1.26 -5.00 114.94 121.98 3abl s ASN 72 Ca 0.93 -1.33 0.28 0.00 0.21 0.00 0.00 52.86 52.95 3abl s ASN 72 Cb -0.88 -1.92 1.43 0.00 -0.55 0.00 0.00 41.25 39.33 3abl s ASN 72 CO 0.56 -0.42 1.94 -0.65 -2.79 0.00 0.00 177.10 175.74 3abl h PRO 73 N 8.29 0.01 -0.78 0.43 0.11 -1.93 0.80 132.00 138.92 3abl h PRO 73 Ca -0.22 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 3abl h PRO 73 Cb 1.08 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3abl h PRO 73 CO 0.67 0.01 0.36 -0.09 -0.21 0.00 0.00 178.00 178.73 3abl h ARG 74 N 0.01 1.14 0.00 1.05 1.12 -1.96 -3.37 114.38 112.37 3abl h ARG 74 Ca 0.34 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 3abl h ARG 74 Cb 1.34 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 3abl h ARG 74 CO -0.01 0.90 0.00 1.33 -3.11 0.00 0.00 179.97 179.08 3abl n VAL 75 N -4.34 0.00 -3.74 0.20 0.24 -0.47 -4.88 118.33 105.33 3abl n VAL 75 Ca 0.07 -0.46 -0.37 0.00 -2.04 0.00 0.00 64.34 61.54 3abl n VAL 75 Cb 0.15 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.41 3abl n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3abl s ASN 76 N -0.87 5.31 0.61 -1.34 0.01 0.15 -5.02 114.94 113.81 3abl s ASN 76 Ca 0.00 -1.69 -0.15 0.00 -0.71 0.00 0.00 52.86 50.31 3abl s ASN 76 Cb 0.00 -1.86 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 3abl s ASN 76 CO 0.00 -0.48 1.07 -2.16 -1.51 0.00 0.00 177.10 174.01 3abl s PRO 77 N 1.26 3.19 0.86 -0.60 0.04 -1.26 -4.72 135.00 133.77 3abl s PRO 77 Ca 0.04 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 3abl s PRO 77 Cb -0.22 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.41 3abl s PRO 77 CO -0.01 -0.91 1.14 -0.51 0.04 0.00 0.00 177.00 176.74 3abl s LEU 78 N -4.66 2.27 0.51 -3.56 1.43 -0.58 -4.88 118.68 109.21 3abl s LEU 78 Ca 0.64 0.99 0.28 0.00 -1.03 0.00 0.00 54.13 55.00 3abl s LEU 78 Cb -0.17 -3.43 1.38 0.00 0.03 0.00 0.00 46.19 44.00 3abl s LEU 78 CO 0.39 -2.24 1.89 -0.65 0.23 0.00 0.00 176.35 175.97 3abl h PRO 79 N -1.28 0.10 -0.01 1.29 0.11 -1.91 0.00 132.00 130.31 3abl h PRO 79 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3abl h PRO 79 Cb 1.32 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3abl h PRO 79 CO 0.62 0.07 -0.28 0.25 -0.21 0.00 0.00 178.00 178.45 3abl n THR 80 N -4.34 0.00 0.00 -1.15 -2.24 -1.26 -4.88 114.28 100.40 3abl n THR 80 Ca 0.18 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3abl n THR 80 Cb 0.88 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3abl n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3abl n GLY 81 N 1.36 0.66 3.76 3.38 0.00 -0.01 -5.06 105.19 109.27 3abl n GLY 81 Ca 0.11 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 3abl n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3abl s TYR 82 N -0.77 2.58 0.41 1.61 2.02 -1.26 -1.53 117.35 120.40 3abl s TYR 82 Ca 0.00 1.43 -0.24 0.00 -0.37 0.00 0.00 57.07 57.89 3abl s TYR 82 Cb 0.00 -3.65 -0.09 0.00 -0.40 0.00 0.00 41.96 37.83 3abl s TYR 82 CO 0.00 -2.31 1.07 -1.21 -1.57 0.00 0.00 175.55 171.53 3abl s GLU 83 N -2.70 4.11 0.00 -0.62 2.02 -1.26 -4.93 118.70 115.32 3abl s GLU 83 Ca 0.66 1.57 0.00 0.00 0.02 0.00 0.00 54.97 57.21 3abl s GLU 83 Cb -0.36 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.33 3abl s GLU 83 CO 0.44 -0.20 0.28 1.63 0.02 0.00 0.00 175.26 177.43