#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 0.06 0.00 0.00 2.88 -1.26 -5.12 113.62 110.18 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 -4.46 120.51 113.32 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 2.28 0.00 -2.68 0.00 0.00 -1.26 -5.14 120.51 113.72 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 0.04 0.00 5.02 -1.26 -5.16 118.16 116.80 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 -1.83 0.00 0.72 0.00 -1.26 -5.12 105.19 102.70 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 -2.42 0.00 0.00 1.61 -0.08 -1.26 -4.75 116.55 109.65 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 -0.59 0.90 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.23 -1.02 0.00 4.60 0.00 -1.26 -5.31 105.19 100.96 2eij n GLY 10 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.54 0.32 -0.02 0.00 -1.26 -4.91 105.19 98.78 2eij n GLY 12 Ca 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 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 1.06 -0.73 4.61 0.00 -2.05 -2.26 119.26 119.89 2eij h ALA 13 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2eij h ALA 13 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 2eij h ALA 13 CO 0.00 0.44 0.47 -0.09 0.00 0.00 0.00 179.25 180.07 2eij h ARG 14 N 1.10 0.97 -0.42 0.00 2.43 -1.99 -1.01 114.38 115.47 2eij h ARG 14 Ca 0.31 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2eij h ARG 14 Cb -0.09 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 2eij h ARG 14 CO -0.08 0.66 0.11 1.15 -1.51 0.00 0.00 179.97 180.29 2eij h THR 15 N 1.00 1.23 0.00 0.20 2.02 -1.84 -1.38 112.91 114.14 2eij h THR 15 Ca 0.27 -0.79 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 2eij h THR 15 Cb -0.09 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2eij h THR 15 CO -0.06 0.28 -0.36 -0.50 0.37 0.00 0.00 175.52 175.25 2eij h TRP 16 N 0.54 0.00 -0.11 3.16 4.06 -1.11 -0.89 115.95 121.60 2eij h TRP 16 Ca 0.13 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.86 2eij h TRP 16 Cb 0.31 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.48 2eij h TRP 16 CO 0.02 0.36 -0.83 -0.09 -3.56 0.00 0.00 178.44 174.34 2eij h ARG 17 N 0.00 0.70 -0.34 0.49 2.43 -1.07 -1.50 114.38 115.08 2eij h ARG 17 Ca -0.00 -0.61 0.03 0.00 -0.81 0.00 0.00 59.98 58.59 2eij h ARG 17 Cb 0.79 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 2eij h ARG 17 CO 0.05 1.21 0.16 0.35 -1.51 0.00 0.00 179.97 180.23 2eij h PHE 18 N 0.46 0.29 -0.54 2.20 -0.00 -0.81 -1.66 116.94 116.86 2eij h PHE 18 Ca -0.06 0.01 -0.07 0.00 -0.00 0.00 0.00 57.97 57.85 2eij h PHE 18 Cb 1.45 -0.08 -0.02 0.00 -0.00 0.00 0.00 35.95 37.30 2eij h PHE 18 CO 0.08 0.15 0.06 -0.07 -0.00 0.00 0.00 178.31 178.53 2eij h LEU 19 N 0.33 0.84 0.57 0.59 3.38 -1.10 0.15 115.31 120.05 2eij h LEU 19 Ca 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2eij h LEU 19 Cb 0.07 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.61 2eij h LEU 19 CO -0.11 0.86 -0.27 0.74 0.09 0.00 0.00 178.44 179.75 2eij h THR 20 N 0.83 0.43 0.00 0.22 2.02 -0.73 -0.53 112.91 115.15 2eij h THR 20 Ca 0.17 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 67.11 2eij h THR 20 Cb 0.41 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2eij h THR 20 CO 0.01 0.01 -0.71 -0.26 0.37 0.00 0.00 175.52 174.95 2eij h PHE 21 N -0.82 0.00 0.00 3.16 0.05 -1.37 0.24 116.94 118.21 2eij h PHE 21 Ca -0.08 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.68 2eij h PHE 21 Cb 0.61 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.55 2eij h PHE 21 CO -0.02 0.67 -1.47 0.41 -0.18 0.00 0.00 178.31 177.71 2eij n GLY 22 N 1.27 -1.25 1.41 -1.45 0.00 0.51 -4.43 105.19 101.26 2eij n GLY 22 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.55 0.32 0.47 0.99 7.94 -0.53 -4.79 117.00 118.86 2eij n LEU 23 Ca -0.04 0.15 -0.19 0.00 -1.11 0.00 0.00 56.01 54.83 2eij n LEU 23 Cb 0.61 -0.02 -0.09 0.00 0.53 0.00 0.00 43.42 44.45 2eij n LEU 23 CO 0.43 -0.51 0.52 0.00 -1.11 0.00 0.00 177.39 176.72 2eij h ALA 24 N 0.00 -1.20 -0.79 1.96 0.00 -1.06 -1.66 119.26 116.50 2eij h ALA 24 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2eij h ALA 24 Cb 0.28 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2eij h ALA 24 CO 0.00 -1.14 0.40 -0.07 0.00 0.00 0.00 179.25 178.44 2eij h LEU 25 N -1.27 1.01 -1.20 0.00 3.38 -0.76 -1.97 115.31 114.50 2eij h LEU 25 Ca -0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2eij h LEU 25 Cb 0.92 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2eij h LEU 25 CO 0.20 0.83 0.18 -0.65 0.09 0.00 0.00 178.44 179.09 2eij h PRO 26 N 1.12 0.74 -0.67 1.13 0.11 -1.76 0.19 132.00 132.85 2eij h PRO 26 Ca 0.28 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 2eij h PRO 26 Cb 0.07 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 2eij h PRO 26 CO -0.04 0.63 0.26 0.77 -0.21 0.00 0.00 178.00 179.41 2eij h SER 27 N 0.72 0.94 -0.50 -2.05 0.02 -0.70 -0.49 113.55 111.50 2eij h SER 27 Ca 0.17 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2eij h SER 27 Cb 0.19 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2eij h SER 27 CO -0.01 0.86 -0.04 0.58 -1.14 0.00 0.00 176.83 177.08 2eij h VAL 28 N 0.96 1.26 -0.44 2.27 2.07 -0.86 -1.54 116.25 119.97 2eij h VAL 28 Ca 0.22 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 2eij h VAL 28 Cb 0.23 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2eij h VAL 28 CO -0.02 0.41 0.07 0.00 0.02 0.00 0.00 177.57 178.05 2eij h ALA 29 N 1.08 0.59 -0.31 1.67 0.00 -0.54 -0.67 119.26 121.08 2eij h ALA 29 Ca 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2eij h ALA 29 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2eij h ALA 29 CO 0.03 0.31 0.12 -0.07 0.00 0.00 0.00 179.25 179.64 2eij h LEU 30 N 0.59 0.43 -1.30 0.00 3.38 -0.99 -1.42 115.31 116.00 2eij h LEU 30 Ca 0.13 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2eij h LEU 30 Cb 0.38 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2eij h LEU 30 CO 0.01 0.48 -0.35 0.00 0.09 0.00 0.00 178.44 178.67 2eij h THR 32 N 0.00 1.30 0.61 0.00 2.02 -0.82 -0.86 112.91 115.16 2eij h THR 32 Ca -0.00 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.55 2eij h THR 32 Cb 0.62 1.58 0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2eij h THR 32 CO 0.05 0.50 -0.29 0.25 0.37 0.00 0.00 175.52 176.40 2eij h LEU 33 N 0.47 -0.69 -0.91 2.58 7.12 -0.87 -1.18 115.31 121.82 2eij h LEU 33 Ca 0.04 -0.02 0.16 0.00 0.13 0.00 0.00 57.88 58.19 2eij h LEU 33 Cb 0.93 0.18 -0.10 0.00 -0.53 0.00 0.00 40.66 41.15 2eij h LEU 33 CO 0.08 -0.32 0.51 -1.13 -0.13 0.00 0.00 178.44 177.44 2eij h ASN 34 N -1.12 0.64 -0.08 1.25 -0.73 -1.08 -2.68 115.58 111.78 2eij h ASN 34 Ca -0.08 0.09 -0.11 0.00 1.87 0.00 0.00 56.30 58.07 2eij h ASN 34 Cb 0.67 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.25 2eij h ASN 34 CO 0.14 0.26 -0.37 0.28 -0.37 0.00 0.00 177.43 177.37 2eij h SER 35 N 0.70 0.46 -0.61 1.15 0.02 -1.14 -2.39 113.55 111.74 2eij h SER 35 Ca 0.50 -0.64 -0.36 0.00 -0.84 0.00 0.00 61.79 60.45 2eij h SER 35 Cb 0.72 -0.14 -0.13 0.00 0.14 0.00 0.00 62.40 62.99 2eij h SER 35 CO -0.36 1.03 0.14 0.79 -1.14 0.00 0.00 176.83 177.29 2eij n TRP 36 N -4.37 1.03 0.06 3.45 5.03 -0.45 -2.57 117.44 119.61 2eij n TRP 36 Ca -0.08 -1.76 0.00 0.00 3.03 0.00 0.00 57.50 58.69 2eij n TRP 36 Cb 0.53 -1.33 0.00 0.00 -1.03 0.00 0.00 31.31 29.47 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 1.31 -0.62 -0.04 -0.99 7.94 -1.17 -4.86 117.00 118.57 2eij n LEU 37 Ca 0.42 0.21 0.12 0.00 -1.11 0.00 0.00 56.01 55.65 2eij n LEU 37 Cb 0.66 0.77 0.69 0.00 0.53 0.00 0.00 43.42 46.07 2eij n LEU 37 CO 0.26 -0.44 0.95 1.41 -1.11 0.00 0.00 177.39 178.45 2eij n HIS 38 N -2.81 0.01 0.00 1.96 8.25 -0.90 -4.73 115.22 117.00 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 -0.79 0.00 -1.79 0.41 3.41 -1.06 -5.01 113.62 108.78 2eij n SER 39 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 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 1.26 -5.04 3.67 5.00 0.00 -1.26 -4.82 105.19 104.00 2eij n GLY 40 Ca 0.00 -0.28 -0.52 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 1.47 2.06 -3.11 1.61 8.25 -1.26 -4.96 115.22 119.29 2eij n HIS 41 Ca 0.00 0.36 -0.39 0.00 -0.26 0.00 0.00 57.72 57.42 2eij n HIS 41 Cb 0.00 -2.51 -0.06 0.00 1.12 0.00 0.00 29.99 28.55 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 2.72 4.40 -0.24 -0.41 0.52 -1.26 -4.99 118.95 119.69 2eij s ARG 42 Ca 0.91 0.91 -0.36 0.00 -0.52 0.00 0.00 55.73 56.68 2eij s ARG 42 Cb -0.88 -3.32 -0.12 0.00 0.52 0.00 0.00 34.95 31.15 2eij s ARG 42 CO 0.54 0.41 1.98 0.39 0.02 0.00 0.00 175.30 178.64 2eij n GLU 43 N 2.42 1.50 -1.74 3.54 -0.58 -1.26 -4.89 120.64 119.63 2eij n GLU 43 Ca -0.06 0.50 -0.42 0.00 -0.42 0.00 0.00 57.16 56.77 2eij n GLU 43 Cb 0.50 -2.47 -0.02 0.00 -0.57 0.00 0.00 31.44 28.89 2eij n GLU 43 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2eij n ARG 44 N 7.03 2.71 -1.46 3.49 1.85 -1.26 -4.97 116.66 124.04 2eij n ARG 44 Ca 0.31 0.97 -0.32 0.00 -1.00 0.00 0.00 57.85 57.81 2eij n ARG 44 Cb 0.23 -2.76 0.08 0.00 -1.05 0.00 0.00 32.46 28.96 2eij n ARG 44 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2eij s PRO 45 N -0.14 2.44 0.50 2.89 0.04 -1.26 -4.98 135.00 134.50 2eij s PRO 45 Ca 0.67 1.31 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 2eij s PRO 45 Cb -0.50 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 2eij s PRO 45 CO 0.45 -1.52 1.15 0.00 0.04 0.00 0.00 177.00 177.12 2eij n ALA 46 N -3.04 0.83 -2.61 8.56 0.00 -1.26 -4.94 120.51 118.06 2eij n ALA 46 Ca 0.10 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 2eij n ALA 46 Cb 0.52 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.73 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 -1.32 3.67 -0.09 0.00 2.19 -1.26 -5.04 117.98 116.12 2eij s PHE 47 Ca 0.68 1.57 0.00 0.00 0.33 0.00 0.00 56.93 59.51 2eij s PHE 47 Cb -0.47 -2.99 0.02 0.00 -1.31 0.00 0.00 43.02 38.27 2eij s PHE 47 CO 0.53 0.08 -0.07 0.42 1.83 0.00 0.00 175.22 178.00 2eij s ILE 48 N 0.69 0.92 -0.51 3.12 1.01 -1.26 -5.06 121.20 120.11 2eij s ILE 48 Ca 0.46 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.81 2eij s ILE 48 Cb -0.20 -0.94 -0.08 0.00 0.01 0.00 0.00 42.46 41.25 2eij s ILE 48 CO 0.25 0.34 2.05 -2.65 0.00 0.00 0.00 174.94 174.93 2eij n PRO 49 N 4.69 1.56 -1.75 2.79 -0.02 -1.26 -4.93 135.00 136.07 2eij n PRO 49 Ca -0.15 -1.04 -0.42 0.00 -2.02 0.00 0.00 63.50 59.88 2eij n PRO 49 Cb 0.50 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.82 2eij n PRO 49 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2eij n TYR 50 N 3.68 2.86 0.42 6.00 4.01 -1.26 -4.91 117.16 127.97 2eij n TYR 50 Ca 0.33 0.37 0.13 0.00 -0.16 0.00 0.00 57.90 58.57 2eij n TYR 50 Cb 0.25 -2.55 0.40 0.00 -0.31 0.00 0.00 39.34 37.13 2eij n TYR 50 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2eij h HIS 51 N 3.77 0.00 -0.07 -0.72 3.86 -2.00 -3.08 115.15 116.91 2eij h HIS 51 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 2eij h HIS 51 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 2eij h HIS 51 CO 0.55 0.00 0.00 -2.39 0.86 0.00 0.00 177.93 176.95 2eij n HIS 52 N -2.60 0.07 -4.55 2.45 1.44 -1.26 -4.84 115.22 105.93 2eij n HIS 52 Ca 0.04 -0.03 -0.25 0.00 -2.01 0.00 0.00 57.72 55.46 2eij n HIS 52 Cb 0.40 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.40 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 -1.87 2.61 -1.61 2.39 1.43 -1.17 -4.76 118.68 115.69 2eij s LEU 53 Ca 0.36 -1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 2eij s LEU 53 Cb 0.20 -0.71 0.12 0.00 0.03 0.00 0.00 46.19 45.83 2eij s LEU 53 CO 0.31 -0.49 0.85 0.54 0.23 0.00 0.00 176.35 177.80 2eij n ARG 54 N -0.84 -4.21 -1.74 1.70 3.00 -1.26 -4.87 116.66 108.44 2eij n ARG 54 Ca -0.04 0.47 -0.42 0.00 -0.01 0.00 0.00 57.85 57.85 2eij n ARG 54 Cb 0.67 -5.24 -0.01 0.00 0.00 0.00 0.00 32.46 27.87 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 -4.51 1.38 -3.45 0.55 2.08 -1.26 -4.71 119.36 109.43 2eij n ILE 55 Ca 0.04 -0.34 -0.25 0.00 0.56 0.00 0.00 62.75 62.75 2eij n ILE 55 Cb 0.52 -1.87 -0.12 0.00 -0.75 0.00 0.00 39.64 37.42 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 -1.07 0.46 -0.02 0.38 1.81 -1.26 -4.96 118.95 114.29 2eij s ARG 56 Ca 0.61 -0.94 0.19 0.00 -1.72 0.00 0.00 55.73 53.86 2eij s ARG 56 Cb -0.51 -1.09 -0.28 0.00 -0.45 0.00 0.00 34.95 32.62 2eij s ARG 56 CO 0.54 -1.15 0.46 0.25 -0.68 0.00 0.00 175.30 174.73 2eij n THR 57 N 4.47 0.00 -3.63 0.02 -2.24 -1.26 -4.96 114.28 106.67 2eij n THR 57 Ca 0.07 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 2eij n THR 57 Cb 0.41 0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.75 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 -3.24 0.81 0.50 -0.78 2.20 -1.26 -5.15 119.74 112.81 2eij s LYS 58 Ca -0.05 1.02 -0.22 0.00 -0.36 0.00 0.00 55.97 56.36 2eij s LYS 58 Cb 0.12 0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 36.74 2eij s LYS 58 CO 0.78 -0.11 1.23 -1.25 -0.36 0.00 0.00 175.35 175.65 2eij s PRO 59 N 0.59 3.50 0.45 4.03 0.04 -1.26 -4.97 135.00 137.37 2eij s PRO 59 Ca -0.02 1.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.70 2eij s PRO 59 Cb -0.05 -2.32 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 2eij s PRO 59 CO -0.03 -0.81 1.32 -0.06 0.04 0.00 0.00 177.00 177.47 2eij s PHE 60 N -1.47 2.64 -0.07 0.56 0.40 -0.56 -4.88 117.98 114.59 2eij s PHE 60 Ca 0.67 1.39 0.00 0.00 -0.60 0.00 0.00 56.93 58.39 2eij s PHE 60 Cb -0.32 -3.72 0.00 0.00 0.51 0.00 0.00 43.02 39.49 2eij s PHE 60 CO 0.39 -2.37 0.75 0.43 0.70 0.00 0.00 175.22 175.12 2eij n SER 61 N -0.25 2.23 -3.75 1.36 7.64 -1.26 -3.93 113.62 115.65 2eij n SER 61 Ca 0.06 -1.56 -0.10 0.00 1.01 0.00 0.00 58.87 58.28 2eij n SER 61 Cb 0.44 -0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.13 -0.03 0.00 1.43 -2.14 -1.26 -5.05 118.94 112.02 2eij s TRP 62 Ca 0.00 -0.31 0.00 0.00 2.66 0.00 0.00 56.10 58.45 2eij s TRP 62 Cb 0.00 0.23 0.00 0.00 -3.10 0.00 0.00 33.47 30.60 2eij s TRP 62 CO 0.00 -0.78 0.00 0.41 -2.66 0.00 0.00 176.95 173.92 2eij n GLY 63 N -0.26 2.96 1.07 3.67 0.00 -1.26 -1.17 105.19 110.20 2eij n GLY 63 Ca -0.12 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 2.33 3.11 0.00 1.61 5.75 -1.26 -4.91 116.55 123.18 2eij n ASP 64 Ca 0.00 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 2eij n ASP 64 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 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 1.21 0.75 0.07 6.12 0.00 -0.32 -4.82 105.19 108.20 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 -0.01 1.22 -4.47 1.61 5.15 -1.26 -1.50 115.26 116.00 2eij n ASN 66 Ca 0.00 -1.14 -0.33 0.00 -0.60 0.00 0.00 54.58 52.50 2eij n ASN 66 Cb 0.00 -0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 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 -0.20 2.90 0.81 1.20 3.76 -1.26 -4.86 115.29 117.63 2eij s HIS 67 Ca 0.02 -0.32 -0.11 0.00 -0.15 0.00 0.00 55.06 54.49 2eij s HIS 67 Cb 0.01 -1.83 0.08 0.00 1.11 0.00 0.00 32.58 31.95 2eij s HIS 67 CO 0.02 0.01 1.13 0.95 -0.85 0.00 0.00 174.74 176.00 2eij s THR 68 N -0.02 2.76 0.25 1.30 -4.23 -1.26 -4.92 115.64 109.51 2eij s THR 68 Ca -0.01 0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 2eij s THR 68 Cb -0.14 -2.61 0.24 0.00 1.34 0.00 0.00 72.50 71.33 2eij s THR 68 CO 0.03 -0.30 1.71 0.15 -0.54 0.00 0.00 174.62 175.67 2eij h PHE 69 N -1.18 0.44 -1.33 3.99 3.04 -2.00 -2.43 116.94 117.47 2eij h PHE 69 Ca -0.44 0.04 -0.62 0.00 3.98 0.00 0.00 57.97 60.93 2eij h PHE 69 Cb 1.25 -0.07 -0.38 0.00 2.56 0.00 0.00 35.95 39.31 2eij h PHE 69 CO 0.54 -0.02 -0.25 1.19 -2.02 0.00 0.00 178.31 177.75 2eij n PHE 70 N -5.07 3.13 -1.69 0.41 3.01 -1.26 -5.05 117.46 110.94 2eij n PHE 70 Ca 0.16 -2.72 -0.44 0.00 1.01 0.00 0.00 57.45 55.46 2eij n PHE 70 Cb 0.47 -0.51 -0.04 0.00 -0.01 0.00 0.00 39.48 39.40 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 -0.61 2.50 -3.92 1.38 -0.00 -0.92 -4.98 115.22 108.68 2eij n HIS 71 Ca 0.46 0.11 -0.34 0.00 0.46 0.00 0.00 57.72 58.40 2eij n HIS 71 Cb 0.67 -2.63 -0.14 0.00 -0.12 0.00 0.00 29.99 27.78 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 1.45 4.90 0.37 0.26 3.84 -1.26 -4.99 114.94 119.50 2eij s ASN 72 Ca 0.79 -1.57 0.15 0.00 0.21 0.00 0.00 52.86 52.44 2eij s ASN 72 Cb -0.59 -1.70 1.01 0.00 -0.55 0.00 0.00 41.25 39.41 2eij s ASN 72 CO 0.36 -0.33 1.77 -0.65 -2.79 0.00 0.00 177.10 175.47 2eij h PRO 73 N 7.93 0.47 -0.75 0.43 0.11 -1.94 0.30 132.00 138.55 2eij h PRO 73 Ca -0.17 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.87 2eij h PRO 73 Cb 1.05 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 2eij h PRO 73 CO 0.56 0.31 0.29 -0.09 -0.21 0.00 0.00 178.00 178.86 2eij h ARG 74 N 0.49 1.11 0.00 1.05 1.12 -1.96 -3.37 114.38 112.82 2eij h ARG 74 Ca 0.60 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 59.27 2eij h ARG 74 Cb 1.34 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.12 2eij h ARG 74 CO -0.34 0.90 0.00 1.33 -3.11 0.00 0.00 179.97 178.76 2eij n VAL 75 N -4.28 0.00 -3.59 0.20 0.24 -0.60 -4.91 118.33 105.39 2eij n VAL 75 Ca 0.07 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.34 61.58 2eij n VAL 75 Cb 0.19 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.65 5.65 0.54 -1.34 0.02 0.96 -5.03 114.94 115.09 2eij s ASN 76 Ca 0.00 -1.72 -0.17 0.00 -1.02 0.00 0.00 52.86 49.95 2eij s ASN 76 Cb 0.00 -1.99 -0.06 0.00 0.02 0.00 0.00 41.25 39.22 2eij s ASN 76 CO 0.00 -0.61 1.03 -2.16 0.02 0.00 0.00 177.10 175.37 2eij s PRO 77 N 1.38 3.66 0.81 -0.60 0.04 -1.26 -4.65 135.00 134.38 2eij s PRO 77 Ca 0.04 1.16 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 2eij s PRO 77 Cb -0.25 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.33 2eij s PRO 77 CO 0.00 -0.53 1.15 -0.51 0.04 0.00 0.00 177.00 177.16 2eij s LEU 78 N -4.08 2.72 0.60 -3.56 1.43 -0.32 -4.85 118.68 110.63 2eij s LEU 78 Ca 0.63 0.39 0.29 0.00 -1.03 0.00 0.00 54.13 54.41 2eij s LEU 78 Cb -0.14 -2.77 1.58 0.00 0.03 0.00 0.00 46.19 44.89 2eij s LEU 78 CO 0.30 -2.07 1.98 -0.65 0.23 0.00 0.00 176.35 176.14 2eij h PRO 79 N -1.04 0.00 -0.37 1.29 0.11 -1.89 -0.49 132.00 129.62 2eij h PRO 79 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2eij h PRO 79 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2eij h PRO 79 CO 0.52 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.56 2eij n THR 80 N -3.60 0.47 0.00 -1.15 -2.24 -1.26 -4.88 114.28 101.62 2eij n THR 80 Ca 0.04 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2eij n THR 80 Cb 0.50 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 1.45 1.14 3.71 3.38 0.00 -0.19 -5.07 105.19 109.61 2eij n GLY 81 Ca 0.19 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.21 1.93 0.63 1.61 2.02 -1.26 -1.17 117.35 119.89 2eij s TYR 82 Ca 0.00 1.62 -0.08 0.00 -0.37 0.00 0.00 57.07 58.25 2eij s TYR 82 Cb 0.00 -3.50 0.01 0.00 -0.40 0.00 0.00 41.96 38.07 2eij s TYR 82 CO 0.00 -2.77 0.97 -1.21 -1.57 0.00 0.00 175.55 170.97 2eij s GLU 83 N -3.98 2.95 0.00 -0.62 2.02 -1.26 -4.86 118.70 112.94 2eij s GLU 83 Ca 0.74 0.19 0.02 0.00 0.02 0.00 0.00 54.97 55.94 2eij s GLU 83 Cb -0.30 -2.18 0.09 0.00 0.10 0.00 0.00 34.13 31.84 2eij s GLU 83 CO 0.48 -0.79 0.58 1.63 0.02 0.00 0.00 175.26 177.17