#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eij n SER 2 N 0.00 0.08 0.00 0.00 2.88 -1.26 -5.12 113.62 110.20 2eij n SER 2 Ca 0.00 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 2eij n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2eij n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eij n ALA 3 N -0.01 0.00 0.00 -1.46 0.00 -1.26 -4.47 120.51 113.31 2eij n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2eij n ALA 3 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2eij n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2eij n ALA 4 N 2.27 0.00 -2.71 0.00 0.00 -1.26 -5.14 120.51 113.66 2eij n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2eij n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2eij n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2eij n LYS 5 N 0.00 0.00 0.03 0.00 5.02 -1.26 -5.16 118.16 116.79 2eij n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2eij n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2eij n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2eij n GLY 6 N 5.00 -1.87 0.00 0.72 0.00 -1.26 -5.12 105.19 102.66 2eij n GLY 6 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 2eij n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2eij n ASP 7 N -2.36 0.00 0.00 1.61 -0.08 -1.26 -4.76 116.55 109.71 2eij n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2eij n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2eij n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2eij n HIS 8 N 0.00 0.00 0.29 -0.67 8.25 -1.26 -4.60 115.22 117.23 2eij n HIS 8 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 2eij n HIS 8 Cb 0.00 -0.61 0.89 0.00 1.12 0.00 0.00 29.99 31.38 2eij n HIS 8 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2eij h GLY 9 N 0.00 0.00 0.00 -1.41 0.00 -2.08 -3.52 103.07 96.06 2eij h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2eij h GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2eij n GLY 10 N -1.19 -0.97 0.00 4.60 0.00 -1.26 -5.31 105.19 101.06 2eij n GLY 10 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2eij n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eij n GLY 12 N 0.00 -0.59 0.36 -0.02 0.00 -1.26 -4.92 105.19 98.77 2eij n GLY 12 Ca 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 44.55 2eij n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eij h ALA 13 N 0.00 1.21 -0.81 4.61 0.00 -2.05 -2.26 119.26 119.95 2eij h ALA 13 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2eij h ALA 13 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 2eij h ALA 13 CO 0.00 0.66 0.34 -0.09 0.00 0.00 0.00 179.25 180.16 2eij h ARG 14 N 1.26 1.20 -0.38 0.00 2.43 -1.99 -0.95 114.38 115.96 2eij h ARG 14 Ca 0.32 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2eij h ARG 14 Cb -0.01 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2eij h ARG 14 CO -0.06 0.96 0.02 1.15 -1.51 0.00 0.00 179.97 180.53 2eij h THR 15 N 1.18 1.25 0.00 0.20 2.02 -1.84 -1.29 112.91 114.43 2eij h THR 15 Ca 0.27 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 2eij h THR 15 Cb 0.19 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2eij h THR 15 CO -0.03 0.32 -0.31 -0.50 0.37 0.00 0.00 175.52 175.38 2eij h TRP 16 N 0.48 0.00 -0.01 3.16 4.06 -1.14 -0.94 115.95 121.55 2eij h TRP 16 Ca 0.11 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.82 2eij h TRP 16 Cb 0.44 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.61 2eij h TRP 16 CO 0.03 0.31 -0.96 -0.09 -3.56 0.00 0.00 178.44 174.17 2eij h ARG 17 N 0.00 0.55 -0.46 0.49 2.43 -1.07 -1.38 114.38 114.94 2eij h ARG 17 Ca -0.00 -0.57 0.02 0.00 -0.81 0.00 0.00 59.98 58.61 2eij h ARG 17 Cb 0.69 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 2eij h ARG 17 CO 0.04 1.20 0.27 0.35 -1.51 0.00 0.00 179.97 180.32 2eij h PHE 18 N 0.31 0.51 -0.52 2.20 -0.00 -0.72 -1.68 116.94 117.05 2eij h PHE 18 Ca -0.10 0.02 -0.09 0.00 -0.00 0.00 0.00 57.97 57.80 2eij h PHE 18 Cb 1.60 -0.17 -0.02 0.00 -0.00 0.00 0.00 35.95 37.37 2eij h PHE 18 CO 0.08 0.30 -0.06 -0.07 -0.00 0.00 0.00 178.31 178.56 2eij h LEU 19 N 0.55 0.90 0.24 0.59 3.38 -1.11 0.23 115.31 120.09 2eij h LEU 19 Ca 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2eij h LEU 19 Cb 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2eij h LEU 19 CO -0.08 0.99 -0.12 0.74 0.09 0.00 0.00 178.44 180.07 2eij h THR 20 N 0.83 0.79 0.00 0.22 2.02 -0.74 -0.66 112.91 115.37 2eij h THR 20 Ca 0.14 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 2eij h THR 20 Cb 0.57 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2eij h THR 20 CO 0.03 0.04 -0.81 -0.26 0.37 0.00 0.00 175.52 174.90 2eij h PHE 21 N -0.42 0.00 0.00 3.16 0.05 -1.36 0.20 116.94 118.57 2eij h PHE 21 Ca -0.03 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.71 2eij h PHE 21 Cb 0.32 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.26 2eij h PHE 21 CO -0.03 0.59 -1.37 0.41 -0.18 0.00 0.00 178.31 177.72 2eij n GLY 22 N 1.29 -1.29 1.43 -1.45 0.00 0.80 -4.42 105.19 101.56 2eij n GLY 22 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2eij n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2eij n LEU 23 N -2.62 0.40 0.35 0.99 7.94 -0.48 -4.78 117.00 118.80 2eij n LEU 23 Ca -0.04 0.20 -0.15 0.00 -1.11 0.00 0.00 56.01 54.91 2eij n LEU 23 Cb 0.63 -0.01 -0.08 0.00 0.53 0.00 0.00 43.42 44.49 2eij n LEU 23 CO 0.42 -0.60 0.53 0.00 -1.11 0.00 0.00 177.39 176.63 2eij h ALA 24 N 0.00 -1.21 -0.55 1.96 0.00 -1.17 -1.67 119.26 116.62 2eij h ALA 24 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2eij h ALA 24 Cb 0.18 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2eij h ALA 24 CO 0.00 -1.17 0.19 -0.07 0.00 0.00 0.00 179.25 178.21 2eij h LEU 25 N -0.96 0.74 -1.14 0.00 3.38 -0.85 -2.04 115.31 114.45 2eij h LEU 25 Ca -0.09 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2eij h LEU 25 Cb 0.77 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2eij h LEU 25 CO 0.10 0.69 0.02 -0.65 0.09 0.00 0.00 178.44 178.69 2eij h PRO 26 N 0.80 0.63 -0.76 1.13 0.11 -1.76 -0.19 132.00 131.95 2eij h PRO 26 Ca 0.19 -0.14 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 2eij h PRO 26 Cb 0.20 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 2eij h PRO 26 CO -0.01 0.63 0.24 0.77 -0.21 0.00 0.00 178.00 179.42 2eij h SER 27 N 0.60 1.10 -0.16 -2.05 0.02 -0.72 -0.56 113.55 111.77 2eij h SER 27 Ca 0.13 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 2eij h SER 27 Cb 0.34 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2eij h SER 27 CO 0.01 1.01 -0.25 0.58 -1.14 0.00 0.00 176.83 177.04 2eij h VAL 28 N 1.13 1.27 -0.36 2.27 2.07 -0.90 -1.62 116.25 120.11 2eij h VAL 28 Ca 0.25 -1.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 2eij h VAL 28 Cb 0.30 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2eij h VAL 28 CO -0.01 0.43 -0.06 0.00 0.02 0.00 0.00 177.57 177.95 2eij h ALA 29 N 1.18 0.49 -0.26 1.67 0.00 -0.54 -1.12 119.26 120.69 2eij h ALA 29 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2eij h ALA 29 Cb 0.72 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2eij h ALA 29 CO 0.06 0.32 0.11 -0.07 0.00 0.00 0.00 179.25 179.67 2eij h LEU 30 N 0.48 0.35 -1.34 0.00 3.38 -1.01 -1.29 115.31 115.88 2eij h LEU 30 Ca 0.09 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2eij h LEU 30 Cb 0.56 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2eij h LEU 30 CO 0.03 0.40 -0.28 0.00 0.09 0.00 0.00 178.44 178.69 2eij h THR 32 N 0.07 1.33 0.49 0.00 2.02 -0.94 -0.68 112.91 115.20 2eij h THR 32 Ca 0.01 -1.75 -0.02 0.00 0.77 0.00 0.00 66.41 65.41 2eij h THR 32 Cb 0.53 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2eij h THR 32 CO 0.04 0.53 -0.24 0.25 0.37 0.00 0.00 175.52 176.48 2eij h LEU 33 N 0.33 -0.56 -1.08 2.58 7.12 -0.76 -1.30 115.31 121.64 2eij h LEU 33 Ca 0.01 -0.07 0.13 0.00 0.13 0.00 0.00 57.88 58.08 2eij h LEU 33 Cb 1.01 0.14 -0.08 0.00 -0.53 0.00 0.00 40.66 41.20 2eij h LEU 33 CO 0.09 -0.19 0.62 -1.13 -0.13 0.00 0.00 178.44 177.70 2eij h ASN 34 N -1.00 0.86 -0.07 1.25 -0.73 -1.07 -2.69 115.58 112.13 2eij h ASN 34 Ca -0.07 0.05 -0.08 0.00 1.87 0.00 0.00 56.30 58.06 2eij h ASN 34 Cb 0.60 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.07 2eij h ASN 34 CO 0.11 0.45 -0.29 0.28 -0.37 0.00 0.00 177.43 177.61 2eij h SER 35 N 0.92 0.37 -0.56 1.15 0.02 -1.11 -2.41 113.55 111.93 2eij h SER 35 Ca 0.48 -0.64 -0.35 0.00 -0.84 0.00 0.00 61.79 60.45 2eij h SER 35 Cb 0.54 -0.11 -0.13 0.00 0.14 0.00 0.00 62.40 62.85 2eij h SER 35 CO -0.25 0.95 0.05 0.79 -1.14 0.00 0.00 176.83 177.23 2eij n TRP 36 N -4.46 0.88 0.07 3.45 5.03 -0.49 -2.54 117.44 119.37 2eij n TRP 36 Ca -0.08 -1.73 0.00 0.00 3.03 0.00 0.00 57.50 58.72 2eij n TRP 36 Cb 0.48 -1.43 0.00 0.00 -1.03 0.00 0.00 31.31 29.33 2eij n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 2eij n LEU 37 N 1.55 -0.73 -0.00 -0.99 7.94 -1.17 -4.86 117.00 118.73 2eij n LEU 37 Ca 0.44 0.24 0.15 0.00 -1.11 0.00 0.00 56.01 55.73 2eij n LEU 37 Cb 0.71 0.88 0.88 0.00 0.53 0.00 0.00 43.42 46.41 2eij n LEU 37 CO 0.23 -0.42 1.07 1.41 -1.11 0.00 0.00 177.39 178.57 2eij n HIS 38 N -2.83 0.00 0.00 1.96 8.25 -0.91 -4.72 115.22 116.97 2eij n HIS 38 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2eij n HIS 38 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2eij n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2eij n SER 39 N -0.96 0.00 -1.84 0.41 3.41 -1.05 -5.01 113.62 108.58 2eij n SER 39 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2eij n SER 39 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2eij n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eij n GLY 40 N 1.30 -5.10 3.68 5.00 0.00 -1.26 -4.82 105.19 103.98 2eij n GLY 40 Ca 0.00 -0.26 -0.54 0.00 0.00 0.00 0.00 46.02 45.22 2eij n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2eij n HIS 41 N 1.52 1.97 -3.16 1.61 8.25 -1.26 -4.95 115.22 119.19 2eij n HIS 41 Ca 0.00 0.47 -0.39 0.00 -0.26 0.00 0.00 57.72 57.54 2eij n HIS 41 Cb 0.00 -2.46 -0.06 0.00 1.12 0.00 0.00 29.99 28.59 2eij n HIS 41 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2eij s ARG 42 N 2.71 4.34 -0.22 -0.41 0.52 -1.26 -4.99 118.95 119.65 2eij s ARG 42 Ca 0.93 0.83 -0.35 0.00 -0.52 0.00 0.00 55.73 56.62 2eij s ARG 42 Cb -0.97 -3.31 -0.12 0.00 0.52 0.00 0.00 34.95 31.07 2eij s ARG 42 CO 0.58 0.44 1.98 -1.91 0.02 0.00 0.00 175.30 176.40 2eij n GLU 43 N 2.39 1.61 -1.76 3.54 0.00 -1.26 -4.89 120.64 120.27 2eij n GLU 43 Ca -0.07 0.54 -0.42 0.00 0.00 0.00 0.00 57.16 57.22 2eij n GLU 43 Cb 0.51 -2.52 -0.02 0.00 0.00 0.00 0.00 31.44 29.41 2eij n GLU 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 2eij s ARG 44 N 4.83 4.11 0.74 5.31 1.70 -1.26 -4.97 118.95 129.41 2eij s ARG 44 Ca 1.00 2.59 -0.13 0.00 -0.47 0.00 0.00 55.73 58.72 2eij s ARG 44 Cb -0.79 -3.02 0.04 0.00 -0.57 0.00 0.00 34.95 30.61 2eij s ARG 44 CO 0.53 -0.66 1.13 -1.25 -1.08 0.00 0.00 175.30 173.97 2eij s PRO 45 N -0.34 2.26 0.53 3.89 0.04 -1.26 -4.98 135.00 135.13 2eij s PRO 45 Ca 0.65 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 2eij s PRO 45 Cb -0.48 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 2eij s PRO 45 CO 0.47 -1.68 1.16 0.00 0.04 0.00 0.00 177.00 176.99 2eij n ALA 46 N -3.05 0.86 -2.65 8.56 0.00 -1.26 -4.94 120.51 118.04 2eij n ALA 46 Ca 0.11 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 2eij n ALA 46 Cb 0.52 -2.22 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 2eij n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2eij s PHE 47 N -1.35 3.65 -0.09 0.00 2.19 -1.26 -5.04 117.98 116.08 2eij s PHE 47 Ca 0.70 1.50 -0.00 0.00 0.33 0.00 0.00 56.93 59.45 2eij s PHE 47 Cb -0.45 -2.95 0.02 0.00 -1.31 0.00 0.00 43.02 38.33 2eij s PHE 47 CO 0.51 0.08 -0.05 0.42 1.83 0.00 0.00 175.22 178.00 2eij s ILE 48 N 0.73 0.80 -0.95 3.12 1.01 -1.26 -5.06 121.20 119.60 2eij s ILE 48 Ca 0.44 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 2eij s ILE 48 Cb -0.20 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.36 2eij s ILE 48 CO 0.24 0.32 2.23 -2.65 0.00 0.00 0.00 174.94 175.07 2eij n PRO 49 N 4.84 2.22 -1.79 2.79 -0.02 -1.26 -4.93 135.00 136.85 2eij n PRO 49 Ca -0.13 -1.49 -0.41 0.00 -2.02 0.00 0.00 63.50 59.45 2eij n PRO 49 Cb 0.50 -2.45 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 2eij n PRO 49 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2eij s TYR 50 N 3.17 2.53 -0.70 6.00 2.02 -1.26 -4.91 117.35 124.19 2eij s TYR 50 Ca 0.43 1.19 0.26 0.00 -0.37 0.00 0.00 57.07 58.58 2eij s TYR 50 Cb 0.12 -4.00 0.83 0.00 -0.40 0.00 0.00 41.96 38.50 2eij s TYR 50 CO -0.03 -3.01 1.77 0.72 -1.57 0.00 0.00 175.55 173.42 2eij n HIS 51 N 0.22 0.93 1.32 2.71 8.25 -1.26 -3.17 115.22 124.22 2eij n HIS 51 Ca 0.02 0.28 0.13 0.00 -0.26 0.00 0.00 57.72 57.90 2eij n HIS 51 Cb 0.40 -0.96 0.41 0.00 1.12 0.00 0.00 29.99 30.96 2eij n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2eij n HIS 52 N -2.27 0.04 -4.60 4.41 1.44 -1.26 -4.85 115.22 108.13 2eij n HIS 52 Ca 0.05 -0.02 -0.27 0.00 -2.01 0.00 0.00 57.72 55.47 2eij n HIS 52 Cb 0.41 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.41 2eij n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2eij s LEU 53 N -1.94 2.71 -1.65 2.39 1.43 -1.19 -4.75 118.68 115.69 2eij s LEU 53 Ca 0.35 -1.39 -0.15 0.00 -1.03 0.00 0.00 54.13 51.91 2eij s LEU 53 Cb 0.20 -0.79 0.13 0.00 0.03 0.00 0.00 46.19 45.76 2eij s LEU 53 CO 0.32 -0.51 0.73 0.54 0.23 0.00 0.00 176.35 177.66 2eij n ARG 54 N -0.94 -3.26 -1.75 1.70 3.00 -1.26 -4.86 116.66 109.29 2eij n ARG 54 Ca -0.05 0.38 -0.42 0.00 -0.01 0.00 0.00 57.85 57.75 2eij n ARG 54 Cb 0.67 -5.00 -0.01 0.00 0.00 0.00 0.00 32.46 28.12 2eij n ARG 54 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2eij n ILE 55 N -4.41 1.60 -3.43 0.55 2.08 -1.26 -4.72 119.36 109.77 2eij n ILE 55 Ca 0.01 -0.40 -0.23 0.00 0.56 0.00 0.00 62.75 62.69 2eij n ILE 55 Cb 0.53 -1.90 -0.11 0.00 -0.75 0.00 0.00 39.64 37.41 2eij n ILE 55 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2eij s ARG 56 N -1.43 0.46 -0.01 0.38 1.81 -1.26 -4.96 118.95 113.93 2eij s ARG 56 Ca 0.58 -0.78 0.19 0.00 -1.72 0.00 0.00 55.73 54.00 2eij s ARG 56 Cb -0.50 -0.96 -0.26 0.00 -0.45 0.00 0.00 34.95 32.78 2eij s ARG 56 CO 0.58 -1.13 0.59 0.25 -0.68 0.00 0.00 175.30 174.90 2eij n THR 57 N 4.61 0.00 -3.63 0.02 -2.24 -1.26 -4.96 114.28 106.81 2eij n THR 57 Ca 0.05 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 2eij n THR 57 Cb 0.42 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 69.06 2eij n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2eij s LYS 58 N -3.08 0.81 0.53 -0.78 2.20 -1.26 -5.15 119.74 113.00 2eij s LYS 58 Ca -0.01 0.99 -0.21 0.00 -0.36 0.00 0.00 55.97 56.38 2eij s LYS 58 Cb 0.13 0.38 -0.06 0.00 -1.51 0.00 0.00 37.83 36.78 2eij s LYS 58 CO 0.79 -0.10 1.22 -1.25 -0.36 0.00 0.00 175.35 175.64 2eij s PRO 59 N 0.46 3.35 0.46 4.03 0.04 -1.26 -4.97 135.00 137.11 2eij s PRO 59 Ca -0.01 1.88 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 2eij s PRO 59 Cb -0.05 -2.20 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 2eij s PRO 59 CO -0.01 -0.91 1.24 -0.06 0.04 0.00 0.00 177.00 177.30 2eij s PHE 60 N -1.52 2.76 -0.12 0.56 0.40 -0.53 -4.90 117.98 114.63 2eij s PHE 60 Ca 0.70 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 58.51 2eij s PHE 60 Cb -0.31 -3.54 0.00 0.00 0.51 0.00 0.00 43.02 39.68 2eij s PHE 60 CO 0.36 -1.92 0.73 0.43 0.70 0.00 0.00 175.22 175.53 2eij n SER 61 N -0.40 2.15 -3.83 1.36 7.64 -1.26 -3.95 113.62 115.34 2eij n SER 61 Ca 0.07 -1.55 -0.09 0.00 1.01 0.00 0.00 58.87 58.30 2eij n SER 61 Cb 0.46 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.23 2eij n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 2eij s TRP 62 N 0.08 0.04 0.00 1.43 -2.14 -1.26 -5.05 118.94 112.04 2eij s TRP 62 Ca 0.00 -0.40 0.00 0.00 2.66 0.00 0.00 56.10 58.36 2eij s TRP 62 Cb 0.00 0.32 0.00 0.00 -3.10 0.00 0.00 33.47 30.69 2eij s TRP 62 CO 0.00 -0.93 0.00 0.41 -2.66 0.00 0.00 176.95 173.77 2eij n GLY 63 N -0.34 2.78 1.14 3.67 0.00 -1.26 -1.10 105.19 110.08 2eij n GLY 63 Ca -0.08 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.79 2eij n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2eij n ASP 64 N 1.49 3.31 0.00 1.61 5.75 -1.26 -4.90 116.55 122.55 2eij n ASP 64 Ca 0.00 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 2eij n ASP 64 Cb 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 2eij n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2eij n GLY 65 N 1.09 0.73 0.07 6.12 0.00 -0.25 -4.83 105.19 108.11 2eij n GLY 65 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2eij n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2eij n ASN 66 N -0.03 1.06 -4.48 1.61 5.15 -1.26 -1.45 115.26 115.85 2eij n ASN 66 Ca 0.00 -1.03 -0.33 0.00 -0.60 0.00 0.00 54.58 52.62 2eij n ASN 66 Cb 0.01 0.10 -0.13 0.00 -0.53 0.00 0.00 39.78 39.24 2eij n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2eij s HIS 67 N -0.26 2.92 0.94 1.20 3.76 -1.26 -4.86 115.29 117.72 2eij s HIS 67 Ca 0.02 -0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 54.51 2eij s HIS 67 Cb 0.02 -1.84 0.16 0.00 1.11 0.00 0.00 32.58 32.02 2eij s HIS 67 CO 0.03 0.02 1.09 0.95 -0.85 0.00 0.00 174.74 175.98 2eij s THR 68 N -0.00 2.46 0.23 1.30 -4.23 -1.26 -4.93 115.64 109.21 2eij s THR 68 Ca -0.01 0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.59 2eij s THR 68 Cb -0.14 -2.44 0.19 0.00 1.34 0.00 0.00 72.50 71.45 2eij s THR 68 CO 0.03 -0.19 1.77 0.15 -0.54 0.00 0.00 174.62 175.84 2eij h PHE 69 N -1.80 0.62 -1.44 3.99 3.04 -2.00 -2.79 116.94 116.56 2eij h PHE 69 Ca -0.50 0.03 -0.62 0.00 3.98 0.00 0.00 57.97 60.86 2eij h PHE 69 Cb 1.29 -0.17 -0.39 0.00 2.56 0.00 0.00 35.95 39.24 2eij h PHE 69 CO 0.42 0.20 -0.32 1.19 -2.02 0.00 0.00 178.31 177.79 2eij n PHE 70 N -4.88 3.21 -1.69 0.41 3.01 -1.26 -5.05 117.46 111.20 2eij n PHE 70 Ca 0.12 -2.81 -0.43 0.00 1.01 0.00 0.00 57.45 55.34 2eij n PHE 70 Cb 0.31 -0.41 -0.03 0.00 -0.01 0.00 0.00 39.48 39.33 2eij n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2eij n HIS 71 N -0.56 2.55 -3.90 1.38 -0.00 -1.06 -4.98 115.22 108.66 2eij n HIS 71 Ca 0.44 -0.05 -0.35 0.00 0.46 0.00 0.00 57.72 58.22 2eij n HIS 71 Cb 0.64 -2.69 -0.13 0.00 -0.12 0.00 0.00 29.99 27.68 2eij n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 2eij s ASN 72 N 2.46 4.94 0.45 0.26 3.84 -1.26 -4.99 114.94 120.64 2eij s ASN 72 Ca 0.82 -1.56 0.23 0.00 0.21 0.00 0.00 52.86 52.56 2eij s ASN 72 Cb -0.54 -1.72 1.23 0.00 -0.55 0.00 0.00 41.25 39.67 2eij s ASN 72 CO 0.38 -0.34 1.83 -0.65 -2.79 0.00 0.00 177.10 175.53 2eij h PRO 73 N 7.96 0.27 -0.27 0.43 0.11 -1.94 0.19 132.00 138.74 2eij h PRO 73 Ca -0.17 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.82 2eij h PRO 73 Cb 1.05 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2eij h PRO 73 CO 0.57 0.18 -0.27 -0.09 -0.21 0.00 0.00 178.00 178.18 2eij h ARG 74 N 0.27 0.54 0.00 1.05 1.12 -1.96 -3.38 114.38 112.02 2eij h ARG 74 Ca 0.51 -0.21 0.00 0.00 -1.11 0.00 0.00 59.98 59.17 2eij h ARG 74 Cb 1.52 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.45 2eij h ARG 74 CO -0.16 0.75 -0.20 1.33 -3.11 0.00 0.00 179.97 178.58 2eij n VAL 75 N -4.11 0.00 -3.51 0.20 0.24 -0.67 -4.91 118.33 105.56 2eij n VAL 75 Ca -0.00 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.34 61.59 2eij n VAL 75 Cb 0.42 0.84 -0.08 0.00 -1.47 0.00 0.00 33.84 33.55 2eij n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2eij s ASN 76 N -0.98 5.80 0.52 -1.34 0.02 0.58 -5.04 114.94 114.51 2eij s ASN 76 Ca 0.00 -1.72 -0.18 0.00 -1.02 0.00 0.00 52.86 49.94 2eij s ASN 76 Cb 0.00 -2.05 -0.07 0.00 0.02 0.00 0.00 41.25 39.15 2eij s ASN 76 CO 0.00 -0.67 1.02 -2.16 0.02 0.00 0.00 177.10 175.30 2eij s PRO 77 N 1.44 3.76 0.79 -0.60 0.04 -1.26 -4.65 135.00 134.52 2eij s PRO 77 Ca 0.04 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 2eij s PRO 77 Cb -0.26 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.27 2eij s PRO 77 CO 0.01 -0.44 1.13 -0.51 0.04 0.00 0.00 177.00 177.23 2eij s LEU 78 N -3.91 2.66 0.60 -3.56 1.43 -0.52 -4.85 118.68 110.53 2eij s LEU 78 Ca 0.63 0.55 0.29 0.00 -1.03 0.00 0.00 54.13 54.57 2eij s LEU 78 Cb -0.13 -3.04 1.54 0.00 0.03 0.00 0.00 46.19 44.58 2eij s LEU 78 CO 0.27 -1.90 1.94 -0.65 0.23 0.00 0.00 176.35 176.24 2eij h PRO 79 N -0.95 0.00 -0.24 1.29 0.11 -1.89 0.62 132.00 130.94 2eij h PRO 79 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2eij h PRO 79 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2eij h PRO 79 CO 0.59 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.63 2eij n THR 80 N -3.56 0.30 0.00 -1.15 -2.24 -1.26 -4.88 114.28 101.50 2eij n THR 80 Ca 0.05 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2eij n THR 80 Cb 0.55 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2eij n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2eij n GLY 81 N 1.38 1.39 3.71 3.38 0.00 0.21 -5.06 105.19 110.20 2eij n GLY 81 Ca 0.18 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 2eij n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2eij s TYR 82 N -1.38 1.96 0.67 1.61 2.02 -1.26 -1.44 117.35 119.53 2eij s TYR 82 Ca 0.00 1.63 -0.09 0.00 -0.37 0.00 0.00 57.07 58.24 2eij s TYR 82 Cb 0.00 -3.47 0.03 0.00 -0.40 0.00 0.00 41.96 38.12 2eij s TYR 82 CO 0.00 -2.69 1.02 -1.21 -1.57 0.00 0.00 175.55 171.10 2eij s GLU 83 N -4.02 2.70 0.00 -0.62 2.02 -1.26 -4.86 118.70 112.66 2eij s GLU 83 Ca 0.74 0.16 0.01 0.00 0.02 0.00 0.00 54.97 55.90 2eij s GLU 83 Cb -0.29 -2.13 0.07 0.00 0.10 0.00 0.00 34.13 31.88 2eij s GLU 83 CO 0.48 -1.00 0.56 1.63 0.02 0.00 0.00 175.26 176.95