#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsc n SER 5 N 0.00 3.55 -4.56 2.55 7.64 -1.26 -4.94 113.62 116.60 2wsc n SER 5 Ca 0.00 0.81 -0.26 0.00 1.01 0.00 0.00 58.87 60.43 2wsc n SER 5 Cb 0.00 -1.43 -0.05 0.00 -1.01 0.00 0.00 64.21 61.72 2wsc n SER 5 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2wsc s LEU 6 N 5.01 3.13 -0.08 -3.43 1.02 -1.26 -4.74 118.68 118.33 2wsc s LEU 6 Ca 0.94 -0.08 -0.02 0.00 0.02 0.00 0.00 54.13 54.99 2wsc s LEU 6 Cb -0.58 -2.54 -0.01 0.00 0.02 0.00 0.00 46.19 43.08 2wsc s LEU 6 CO 0.47 -3.03 -0.03 -0.37 0.02 0.00 0.00 176.35 173.41 2wsc h VAL 7 N 7.37 0.00 0.00 -1.59 -1.51 -2.01 -2.86 116.25 115.65 2wsc h VAL 7 Ca -0.03 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 2wsc h VAL 7 Cb 1.06 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 2wsc h VAL 7 CO 1.15 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.49 2wsc n ILE 8 N -4.08 0.03 0.15 7.19 0.13 -1.26 -1.80 119.36 119.72 2wsc n ILE 8 Ca -0.01 0.01 -0.14 0.00 -1.10 0.00 0.00 62.75 61.51 2wsc n ILE 8 Cb 0.05 -1.01 -0.06 0.00 -0.84 0.00 0.00 39.64 37.78 2wsc n ILE 8 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 2wsc h SER 9 N 0.00 -0.89 0.51 9.51 4.64 -1.83 -3.25 113.55 122.24 2wsc h SER 9 Ca 0.00 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2wsc h SER 9 Cb 0.00 0.33 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2wsc h SER 9 CO 0.00 -0.42 -1.53 0.18 -0.87 0.00 0.00 176.83 174.19 2wsc n LEU 10 N -5.42 0.48 0.22 5.97 4.77 -0.74 -2.69 117.00 119.58 2wsc n LEU 10 Ca -0.08 0.19 0.10 0.00 -0.03 0.00 0.00 56.01 56.19 2wsc n LEU 10 Cb 0.33 0.02 0.39 0.00 -2.33 0.00 0.00 43.42 41.83 2wsc n LEU 10 CO 0.25 -0.03 0.78 -1.28 -1.33 0.00 0.00 177.39 175.78 2wsc h SER 11 N 0.00 0.00 0.01 -1.43 0.87 -1.72 1.25 113.55 112.53 2wsc h SER 11 Ca -0.06 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 2wsc h SER 11 Cb 1.16 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 2wsc h SER 11 CO 0.01 0.21 -0.49 0.74 -0.53 0.00 0.00 176.83 176.77 2wsc h THR 12 N 0.00 0.00 0.03 2.23 2.02 -1.64 -3.15 112.91 112.40 2wsc h THR 12 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2wsc h THR 12 Cb 0.84 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2wsc h THR 12 CO 0.03 0.00 -0.28 1.23 0.37 0.00 0.00 175.52 176.87 2wsc h GLY 13 N -0.63 -0.45 1.01 2.16 0.00 -0.61 -0.78 103.07 103.76 2wsc h GLY 13 Ca 0.01 0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.60 2wsc h GLY 13 CO -0.32 -0.22 0.06 -2.00 0.00 0.00 0.00 176.54 174.06 2wsc h LEU 14 N -0.44 0.85 -2.63 3.11 5.85 0.14 0.41 115.31 122.60 2wsc h LEU 14 Ca 0.05 -0.27 -0.17 0.00 0.84 0.00 0.00 57.88 58.33 2wsc h LEU 14 Cb 0.51 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.21 2wsc h LEU 14 CO -0.22 0.91 0.21 -0.24 -0.34 0.00 0.00 178.44 178.77 2wsc n SER 15 N -4.36 3.21 0.00 1.25 2.88 -1.19 0.09 113.62 115.51 2wsc n SER 15 Ca 0.02 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 55.00 2wsc n SER 15 Cb 0.28 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 2wsc n SER 15 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wsc n LEU 16 N -0.06 0.00 0.10 2.46 4.77 0.14 -4.52 117.00 119.89 2wsc n LEU 16 Ca 0.20 0.87 -0.15 0.00 -0.03 0.00 0.00 56.01 56.91 2wsc n LEU 16 Cb 0.89 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 2wsc n LEU 16 CO 0.21 -0.37 0.02 -0.26 -1.33 0.00 0.00 177.39 175.66 2wsc h PHE 17 N 0.00 0.51 -0.04 -1.77 0.04 -0.39 -3.24 116.94 112.05 2wsc h PHE 17 Ca 0.00 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.42 2wsc h PHE 17 Cb 0.00 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.12 2wsc h PHE 17 CO -0.07 1.23 0.00 1.47 -0.60 0.00 0.00 178.31 180.34 2wsc n LEU 18 N -3.59 0.31 -0.11 1.54 -0.00 -1.20 -2.06 117.00 111.89 2wsc n LEU 18 Ca -0.08 -0.15 -0.14 0.00 -0.00 0.00 0.00 56.01 55.64 2wsc n LEU 18 Cb 0.97 -0.07 -0.13 0.00 -0.00 0.00 0.00 43.42 44.19 2wsc n LEU 18 CO 0.53 0.07 -1.23 0.61 -0.00 0.00 0.00 177.39 177.37 2wsc n GLY 19 N 0.52 -0.64 0.47 1.47 0.00 -1.22 -1.83 105.19 103.97 2wsc n GLY 19 Ca 0.01 -0.24 0.24 0.00 0.00 0.00 0.00 46.02 46.03 2wsc n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wsc h ARG 20 N 0.00 0.00 0.70 1.61 2.47 -1.53 2.48 114.38 120.10 2wsc h ARG 20 Ca -0.54 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.14 2wsc h ARG 20 Cb 2.02 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 30.35 2wsc h ARG 20 CO -0.03 0.00 -0.34 0.74 0.56 0.00 0.00 179.97 180.90 2wsc h PHE 21 N 0.00 -0.87 0.00 3.04 -1.00 -0.77 -3.32 116.94 114.02 2wsc h PHE 21 Ca 0.35 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.11 2wsc h PHE 21 Cb 2.21 0.29 0.00 0.00 3.61 0.00 0.00 35.95 42.06 2wsc h PHE 21 CO 0.00 -0.52 0.62 1.55 -1.61 0.00 0.00 178.31 178.35 2wsc n VAL 22 N -5.41 0.00 0.00 -0.55 3.14 0.83 -4.33 118.33 112.01 2wsc n VAL 22 Ca -0.12 0.62 0.00 0.00 -2.96 0.00 0.00 64.34 61.88 2wsc n VAL 22 Cb 0.38 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.55 2wsc n VAL 22 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 2wsc n PHE 23 N -1.38 0.00 -0.42 1.45 7.35 -1.14 -4.48 117.46 118.84 2wsc n PHE 23 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2wsc n PHE 23 Cb 0.62 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.45 2wsc n PHE 23 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2wsc n PHE 24 N 6.29 0.00 -0.21 -5.13 3.01 -1.26 -4.57 117.46 115.59 2wsc n PHE 24 Ca 0.00 -0.18 0.31 0.00 1.01 0.00 0.00 57.45 58.59 2wsc n PHE 24 Cb 0.00 -0.02 0.70 0.00 -0.01 0.00 0.00 39.48 40.15 2wsc n PHE 24 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 2wsc h ASN 25 N 0.00 0.00 0.00 4.37 -1.07 -1.92 -2.96 115.58 114.01 2wsc h ASN 25 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 2wsc h ASN 25 Cb 0.52 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.77 2wsc h ASN 25 CO 0.00 0.00 -0.30 -0.26 0.07 0.00 0.00 177.43 176.94 2wsc h PHE 26 N 0.00 0.00 -3.07 4.14 0.04 -1.86 -3.44 116.94 112.74 2wsc h PHE 26 Ca 0.47 0.00 -0.73 0.00 2.80 0.00 0.00 57.97 60.50 2wsc h PHE 26 Cb 2.15 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 39.97 2wsc h PHE 26 CO 0.00 0.17 0.18 1.04 -0.60 0.00 0.00 178.31 179.10 2wsc n GLN 27 N -4.68 3.30 0.00 1.51 6.02 -1.12 -4.57 117.38 117.84 2wsc n GLN 27 Ca -0.06 -4.53 0.00 0.00 -0.01 0.00 0.00 57.00 52.40 2wsc n GLN 27 Cb 0.19 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.01 2wsc n GLN 27 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2wsc n ARG 28 N 1.86 0.00 -0.85 -1.09 1.85 -1.26 -5.02 116.66 112.16 2wsc n ARG 28 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 2wsc n ARG 28 Cb 0.37 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.78 2wsc n ARG 28 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2wsc n GLU 29 N 0.00 0.00 -0.70 2.89 -0.58 -1.26 -5.18 120.64 115.81 2wsc n GLU 29 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 2wsc n GLU 29 Cb 0.00 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.12 2wsc n GLU 29 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wsc s ASN 30 N -0.15 0.58 0.36 1.62 6.03 -1.26 -4.88 114.94 117.25 2wsc s ASN 30 Ca 0.00 1.09 -0.07 0.00 -1.03 0.00 0.00 52.86 52.85 2wsc s ASN 30 Cb 0.00 -1.64 -0.06 0.00 -3.03 0.00 0.00 41.25 36.51 2wsc s ASN 30 CO 0.00 -4.38 -0.26 0.23 -2.03 0.00 0.00 177.10 170.66 2wsc n MET 31 N -5.00 0.00 -4.19 3.55 2.81 -1.26 -4.19 117.12 108.84 2wsc n MET 31 Ca 0.08 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.61 2wsc n MET 31 Cb 0.57 -0.42 -0.02 0.00 -0.71 0.00 0.00 33.22 32.64 2wsc n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wsc n ALA 32 N -0.93 -1.29 -2.50 3.04 0.00 -1.26 0.32 120.51 117.89 2wsc n ALA 32 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 2wsc n ALA 32 Cb 0.22 -3.51 -0.01 0.00 0.00 0.00 0.00 19.45 16.16 2wsc n ALA 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wsc n LYS 33 N -4.42 -0.99 -1.36 0.00 4.01 -1.26 -1.90 118.16 112.24 2wsc n LYS 33 Ca 0.06 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2wsc n LYS 33 Cb 0.50 -0.34 0.00 0.00 -0.51 0.00 0.00 35.03 34.68 2wsc n LYS 33 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wsc n GLN 34 N -1.23 0.00 -0.17 1.97 0.00 0.96 -4.30 117.38 114.62 2wsc n GLN 34 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 57.00 56.92 2wsc n GLN 34 Cb 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 30.24 29.83 2wsc n GLN 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2wsc n VAL 35 N 0.50 0.00 0.08 -0.39 0.31 -0.80 -4.77 118.33 113.26 2wsc n VAL 35 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2wsc n VAL 35 Cb 0.00 -0.06 -0.02 0.00 -0.91 0.00 0.00 33.84 32.86 2wsc n VAL 35 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2wsc h PRO 36 N 1.30 -0.21 0.00 5.55 0.11 -1.75 -3.47 132.00 133.52 2wsc h PRO 36 Ca -0.01 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2wsc h PRO 36 Cb 0.16 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2wsc h PRO 36 CO 0.15 -0.14 -0.06 0.39 -0.21 0.00 0.00 178.00 178.13 2wsc n GLU 37 N -2.92 0.17 0.00 1.05 -0.58 -1.26 -4.89 120.64 112.21 2wsc n GLU 37 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2wsc n GLU 37 Cb 0.09 -0.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.42 2wsc n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2wsc n GLN 38 N -0.89 0.00 -4.25 3.49 6.02 -1.26 -3.53 117.38 116.95 2wsc n GLN 38 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 2wsc n GLN 38 Cb 0.03 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.19 2wsc n GLN 38 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2wsc s ASN 39 N 0.00 5.29 0.22 1.08 0.01 -1.26 -4.17 114.94 116.11 2wsc s ASN 39 Ca 0.00 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 2wsc s ASN 39 Cb 0.00 -1.72 0.00 0.00 0.41 0.00 0.00 41.25 39.94 2wsc s ASN 39 CO 0.00 0.27 0.00 0.61 -1.51 0.00 0.00 177.10 176.47 2wsc n GLY 40 N 2.90 -2.06 3.14 0.66 0.00 -1.26 -5.09 105.19 103.47 2wsc n GLY 40 Ca -0.18 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 44.54 2wsc n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wsc s MET 41 N -2.30 0.71 0.00 1.61 -1.94 -1.23 -4.88 119.30 111.27 2wsc s MET 41 Ca 0.00 -0.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 2wsc s MET 41 Cb 0.00 0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.94 2wsc s MET 41 CO 0.00 -1.04 0.00 0.45 -0.01 0.00 0.00 175.02 174.42 2wsc n SER 42 N 4.37 0.00 -4.54 3.03 2.88 -1.26 -4.60 113.62 113.50 2wsc n SER 42 Ca 0.10 0.36 -0.46 0.00 -1.33 0.00 0.00 58.87 57.54 2wsc n SER 42 Cb 0.58 -0.58 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2wsc n SER 42 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2wsc n HIS 43 N 0.16 1.83 -0.88 0.66 8.25 -1.26 -4.67 115.22 119.30 2wsc n HIS 43 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2wsc n HIS 43 Cb 0.00 -2.65 0.00 0.00 1.12 0.00 0.00 29.99 28.46 2wsc n HIS 43 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2wsc n PHE 44 N 10.83 0.00 0.00 4.41 -0.00 -1.26 -4.49 117.46 126.94 2wsc n PHE 44 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.79 2wsc n PHE 44 Cb 0.36 -1.83 0.00 0.00 -0.00 0.00 0.00 39.48 38.01 2wsc n PHE 44 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2wsc n GLU 45 N 0.83 0.00 0.00 -4.13 2.13 -1.26 -4.95 120.64 113.25 2wsc n GLU 45 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2wsc n GLU 45 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.15 2wsc n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wsc n ALA 46 N 10.16 0.00 0.11 4.31 0.00 -1.26 -4.85 120.51 128.98 2wsc n ALA 46 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2wsc n ALA 46 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2wsc n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsc n GLY 47 N -1.16 0.76 0.00 0.00 0.00 -1.26 -4.98 105.19 98.56 2wsc n GLY 47 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2wsc n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wsc n ASP 48 N -1.07 1.09 -0.94 1.61 5.75 -1.26 -5.20 116.55 116.54 2wsc n ASP 48 Ca 0.00 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 2wsc n ASP 48 Cb 0.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2wsc n ASP 48 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2wsc n THR 49 N 0.00 0.00 0.00 2.12 5.66 -1.26 -5.19 114.28 115.61 2wsc n THR 49 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2wsc n THR 49 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2wsc n THR 49 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2wsc n ARG 50 N 0.00 1.16 -3.17 1.09 1.85 -1.26 -4.93 116.66 111.40 2wsc n ARG 50 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 2wsc n ARG 50 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 2wsc n ARG 50 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wsc s ALA 51 N -2.04 3.64 0.10 2.89 0.00 -1.26 -5.15 121.76 119.94 2wsc s ALA 51 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.16 2wsc s ALA 51 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2wsc s ALA 51 CO 0.00 -0.14 -0.11 -1.59 0.00 0.00 0.00 175.76 173.93 2wsc s LYS 52 N -4.44 0.86 -0.29 0.00 0.00 -1.26 -5.13 119.74 109.48 2wsc s LYS 52 Ca 0.42 -1.15 0.02 0.00 0.00 0.00 0.00 55.97 55.26 2wsc s LYS 52 Cb -0.10 -0.59 0.20 0.00 0.00 0.00 0.00 37.83 37.33 2wsc s LYS 52 CO 0.38 0.10 0.68 -1.83 0.00 0.00 0.00 175.35 174.68 2wsc s GLU 53 N -2.70 0.48 0.44 1.78 -1.05 -1.26 -4.96 118.70 111.44 2wsc s GLU 53 Ca 0.05 0.53 0.28 0.00 -0.15 0.00 0.00 54.97 55.69 2wsc s GLU 53 Cb -0.04 0.26 1.54 0.00 -0.44 0.00 0.00 34.13 35.45 2wsc s GLU 53 CO 0.01 -0.84 1.86 -0.92 0.95 0.00 0.00 175.26 176.32 2wsc h TYR 54 N 7.88 0.00 -2.65 4.83 3.20 -2.08 -3.33 116.97 124.82 2wsc h TYR 54 Ca -0.05 0.00 -0.72 0.00 3.14 0.00 0.00 58.73 61.09 2wsc h TYR 54 Cb 1.18 0.00 -0.34 0.00 1.54 0.00 0.00 36.73 39.11 2wsc h TYR 54 CO 0.17 0.00 0.20 0.28 -1.64 0.00 0.00 178.16 177.17 2wsc n VAL 55 N -2.51 4.07 -2.68 1.81 0.31 -1.26 -4.61 118.33 113.45 2wsc n VAL 55 Ca -0.02 -5.62 -0.05 0.00 -0.01 0.00 0.00 64.34 58.64 2wsc n VAL 55 Cb 0.07 -2.10 0.10 0.00 -0.91 0.00 0.00 33.84 31.00 2wsc n VAL 55 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2wsc n SER 56 N 1.17 -1.55 -1.97 4.52 2.88 -1.25 -5.04 113.62 112.38 2wsc n SER 56 Ca 0.27 -2.24 -0.23 0.00 -1.33 0.00 0.00 58.87 55.34 2wsc n SER 56 Cb 0.36 1.22 0.03 0.00 -0.75 0.00 0.00 64.21 65.08 2wsc n SER 56 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2wsc n LEU 57 N 0.80 5.02 0.00 2.46 0.00 -1.26 -4.94 117.00 119.08 2wsc n LEU 57 Ca -0.01 -4.67 0.00 0.00 0.00 0.00 0.00 56.01 51.33 2wsc n LEU 57 Cb 0.73 -0.40 0.00 0.00 0.00 0.00 0.00 43.42 43.75 2wsc n LEU 57 CO -0.08 2.03 0.00 0.18 0.00 0.00 0.00 177.39 179.52 2wsc n LEU 58 N -0.75 0.00 0.00 -1.96 4.32 -1.26 -4.76 117.00 112.59 2wsc n LEU 58 Ca 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 2wsc n LEU 58 Cb 0.94 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.74 2wsc n LEU 58 CO 0.41 0.00 0.00 1.17 -1.22 0.00 0.00 177.39 177.75 2wsc n LYS 59 N 0.00 0.00 0.00 3.23 4.81 -1.26 -1.09 118.16 123.85 2wsc n LYS 59 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wsc n LYS 59 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2wsc n LYS 59 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2wsc n SER 60 N 0.00 0.00 0.00 3.14 2.88 -1.26 -4.66 113.62 113.72 2wsc n SER 60 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 2wsc n SER 60 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2wsc n SER 60 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2wsc n ASN 61 N 0.00 0.00 -0.09 -3.46 5.03 -0.25 -1.41 115.26 115.07 2wsc n ASN 61 Ca 0.00 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.34 2wsc n ASN 61 Cb 0.31 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.03 2wsc n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2wsc n ASP 62 N -2.62 1.92 0.00 6.41 8.00 -1.26 -4.30 116.55 124.70 2wsc n ASP 62 Ca 0.00 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.87 2wsc n ASP 62 Cb 0.00 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 2wsc n ASP 62 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2wsc n PRO 63 N -4.45 0.00 -0.03 -0.24 -0.02 -0.50 -3.87 135.00 125.88 2wsc n PRO 63 Ca -0.18 0.08 -0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2wsc n PRO 63 Cb 0.53 -0.86 0.01 0.00 -0.02 0.00 0.00 33.50 33.16 2wsc n PRO 63 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wsc n VAL 64 N -0.44 0.72 1.46 -1.45 0.31 -0.86 -1.99 118.33 116.09 2wsc n VAL 64 Ca 0.00 -0.05 0.14 0.00 -0.01 0.00 0.00 64.34 64.42 2wsc n VAL 64 Cb 0.00 -0.81 0.58 0.00 -0.91 0.00 0.00 33.84 32.70 2wsc n VAL 64 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wsc n GLY 65 N 0.30 -0.68 0.17 2.92 0.00 -1.22 -3.23 105.19 103.45 2wsc n GLY 65 Ca 0.01 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2wsc n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wsc h PHE 66 N 1.01 0.86 -0.62 1.61 3.57 -1.62 -3.39 116.94 118.36 2wsc h PHE 66 Ca 0.00 -0.49 0.24 0.00 3.53 0.00 0.00 57.97 61.25 2wsc h PHE 66 Cb 0.38 -0.09 -0.11 0.00 2.79 0.00 0.00 35.95 38.91 2wsc h PHE 66 CO 0.00 1.32 0.26 -1.71 -2.23 0.00 0.00 178.31 175.96 2wsc n ASN 67 N -3.99 0.15 -0.09 0.41 2.85 -1.20 0.13 115.26 113.52 2wsc n ASN 67 Ca -0.11 1.03 -0.10 0.00 -0.11 0.00 0.00 54.58 55.29 2wsc n ASN 67 Cb 0.82 -0.48 -0.07 0.00 1.24 0.00 0.00 39.78 41.30 2wsc n ASN 67 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2wsc h ILE 68 N 0.00 0.00 0.00 -1.44 5.03 -1.76 -2.81 117.51 116.53 2wsc h ILE 68 Ca 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.23 2wsc h ILE 68 Cb 1.26 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.05 2wsc h ILE 68 CO -0.50 0.00 0.00 0.55 -0.68 0.00 0.00 178.15 177.52 2wsc n VAL 69 N -4.59 0.96 0.00 1.67 3.14 0.35 -1.97 118.33 117.88 2wsc n VAL 69 Ca -0.03 0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.59 2wsc n VAL 69 Cb 0.24 -1.09 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 2wsc n VAL 69 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2wsc n ASP 70 N -1.35 0.00 -0.24 6.55 8.00 -1.06 -0.50 116.55 127.95 2wsc n ASP 70 Ca 0.04 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.51 2wsc n ASP 70 Cb 0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 2wsc n ASP 70 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2wsc n VAL 71 N 0.00 -0.36 -0.20 2.53 3.14 -1.26 -1.71 118.33 120.47 2wsc n VAL 71 Ca 0.00 1.46 0.21 0.00 -2.96 0.00 0.00 64.34 63.05 2wsc n VAL 71 Cb 0.00 -1.88 0.58 0.00 -1.06 0.00 0.00 33.84 31.48 2wsc n VAL 71 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2wsc h LEU 72 N 0.00 0.26 0.00 6.55 6.46 -1.56 -0.78 115.31 126.25 2wsc h LEU 72 Ca 0.17 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2wsc h LEU 72 Cb 0.33 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2wsc h LEU 72 CO -0.60 0.11 0.00 0.00 -0.62 0.00 0.00 178.44 177.33 2wsc n ALA 73 N -2.58 0.00 0.00 1.25 0.00 0.35 -4.49 120.51 115.04 2wsc n ALA 73 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2wsc n ALA 73 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2wsc n ALA 73 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wsc n TRP 74 N 0.00 0.00 -1.02 0.00 8.01 -1.26 -1.51 117.44 121.66 2wsc n TRP 74 Ca 0.00 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.18 2wsc n TRP 74 Cb 0.00 0.00 0.33 0.00 -2.01 0.00 0.00 31.31 29.63 2wsc n TRP 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wsc n GLY 75 N 0.00 3.56 0.97 6.99 0.00 -0.35 -3.61 105.19 112.75 2wsc n GLY 75 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2wsc n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wsc n SER 76 N 0.00 0.00 0.04 1.61 7.64 -0.57 -4.41 113.62 117.92 2wsc n SER 76 Ca 0.35 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.34 2wsc n SER 76 Cb 1.27 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.48 2wsc n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wsc n ILE 77 N -1.93 0.23 -1.46 0.44 3.06 -1.26 -4.15 119.36 114.28 2wsc n ILE 77 Ca 0.00 -0.31 -0.28 0.00 -2.50 0.00 0.00 62.75 59.66 2wsc n ILE 77 Cb 0.00 0.10 0.10 0.00 0.54 0.00 0.00 39.64 40.38 2wsc n ILE 77 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2wsc n GLY 78 N 1.33 5.66 2.96 4.50 0.00 -1.26 -4.98 105.19 113.40 2wsc n GLY 78 Ca 0.01 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 2wsc n GLY 78 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2wsc n HIS 79 N -0.94 -3.36 -0.06 1.61 1.44 -1.26 -4.72 115.22 107.94 2wsc n HIS 79 Ca 0.56 1.36 -0.03 0.00 -2.01 0.00 0.00 57.72 57.61 2wsc n HIS 79 Cb 0.92 -3.68 -0.00 0.00 0.12 0.00 0.00 29.99 27.35 2wsc n HIS 79 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 2wsc n ILE 80 N -0.25 0.00 -1.93 0.61 -6.64 -1.24 -3.78 119.36 106.13 2wsc n ILE 80 Ca 0.08 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.06 2wsc n ILE 80 Cb 0.49 -0.02 0.00 0.00 -1.44 0.00 0.00 39.64 38.67 2wsc n ILE 80 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 2wsc n VAL 81 N 0.19 -0.78 0.62 7.28 0.24 -1.26 -4.85 118.33 119.77 2wsc n VAL 81 Ca 0.02 0.09 0.12 0.00 -2.04 0.00 0.00 64.34 62.52 2wsc n VAL 81 Cb -0.00 -1.59 0.21 0.00 -1.47 0.00 0.00 33.84 30.98 2wsc n VAL 81 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wsc n ALA 82 N 1.65 2.92 -0.50 2.33 0.00 -1.25 -4.41 120.51 121.25 2wsc n ALA 82 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 2wsc n ALA 82 Cb 0.09 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.39 2wsc n ALA 82 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2wsc n TYR 83 N -2.05 1.32 0.00 0.00 0.18 -1.26 -4.85 117.16 110.49 2wsc n TYR 83 Ca 0.04 -1.55 0.00 0.00 1.88 0.00 0.00 57.90 58.26 2wsc n TYR 83 Cb 0.43 -0.77 0.00 0.00 -0.38 0.00 0.00 39.34 38.62 2wsc n TYR 83 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 2wsc n TYR 84 N 0.25 0.00 -1.89 -3.48 -0.00 -1.26 -5.03 117.16 105.75 2wsc n TYR 84 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.16 2wsc n TYR 84 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.06 2wsc n TYR 84 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 2wsc n ILE 85 N 0.00 -6.96 0.00 2.97 2.08 -1.26 -5.07 119.36 111.12 2wsc n ILE 85 Ca 0.00 2.32 0.00 0.00 0.56 0.00 0.00 62.75 65.63 2wsc n ILE 85 Cb 0.00 -3.37 0.00 0.00 -0.75 0.00 0.00 39.64 35.52 2wsc n ILE 85 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2wsc n LEU 86 N 1.09 0.00 -0.48 1.39 7.94 -1.26 -5.06 117.00 120.61 2wsc n LEU 86 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wsc n LEU 86 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wsc n LEU 86 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 2wsc n ALA 87 N 0.00 -0.83 -3.94 1.96 0.00 -1.26 -5.12 120.51 111.31 2wsc n ALA 87 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2wsc n ALA 87 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2wsc n ALA 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wsc s THR 88 N -0.88 1.59 0.00 0.00 2.01 -1.26 -4.81 115.64 112.29 2wsc s THR 88 Ca 0.00 -1.34 0.00 0.00 0.31 0.00 0.00 61.69 60.66 2wsc s THR 88 Cb 0.00 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.62 2wsc s THR 88 CO 0.00 -0.17 0.00 0.00 -0.69 0.00 0.00 174.62 173.76 2wsc n ALA 89 N 4.63 0.00 -3.36 7.40 0.00 -1.26 -4.89 120.51 123.03 2wsc n ALA 89 Ca -0.10 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.88 2wsc n ALA 89 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 2wsc n ALA 89 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wsc s SER 90 N -0.40 6.61 0.00 0.00 1.04 -1.26 -4.92 113.70 114.77 2wsc s SER 90 Ca 0.00 -2.68 0.00 0.00 0.48 0.00 0.00 55.95 53.75 2wsc s SER 90 Cb 0.00 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.94 2wsc s SER 90 CO 0.00 -0.56 0.61 -3.20 0.98 0.00 0.00 173.24 171.06 2wsc n ASN 91 N 3.97 0.00 0.00 7.02 4.05 -1.26 -5.04 115.26 123.99 2wsc n ASN 91 Ca 0.12 0.61 0.00 0.00 0.45 0.00 0.00 54.58 55.76 2wsc n ASN 91 Cb 0.46 -0.26 0.00 0.00 1.23 0.00 0.00 39.78 41.21 2wsc n ASN 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wsc n GLY 92 N -0.96 0.67 0.00 8.20 0.00 -1.26 -4.31 105.19 107.53 2wsc n GLY 92 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2wsc n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wsc n TYR 93 N 0.00 0.00 0.00 1.61 4.02 -1.26 -4.84 117.16 116.69 2wsc n TYR 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wsc n TYR 93 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2wsc n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2wsc n ASP 94 N 0.00 0.00 -4.71 7.72 9.92 -1.26 -5.12 116.55 123.10 2wsc n ASP 94 Ca 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.86 2wsc n ASP 94 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 2wsc n ASP 94 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2wsc s PRO 95 N -0.02 4.45 -0.72 -0.24 0.04 -1.26 -4.84 135.00 132.41 2wsc s PRO 95 Ca 0.00 1.02 -0.32 0.00 0.04 0.00 0.00 61.00 61.74 2wsc s PRO 95 Cb 0.00 -3.47 -0.16 0.00 0.04 0.00 0.00 34.50 30.91 2wsc s PRO 95 CO 0.00 -0.01 2.49 0.45 0.04 0.00 0.00 177.00 179.97 2wsc n SER 96 N 3.99 1.12 0.00 6.66 2.88 -1.26 -4.71 113.62 122.31 2wsc n SER 96 Ca 0.01 0.10 0.02 0.00 -1.33 0.00 0.00 58.87 57.68 2wsc n SER 96 Cb 0.51 -1.13 0.14 0.00 -0.75 0.00 0.00 64.21 62.98 2wsc n SER 96 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2wsc n PHE 97 N 11.41 0.00 -0.16 0.66 3.72 -1.26 -5.24 117.46 126.58 2wsc n PHE 97 Ca 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.94 2wsc n PHE 97 Cb 0.18 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2wsc n PHE 97 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05