#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbv s LEU 2 N 0.00 4.38 0.34 -0.89 1.43 -1.26 -2.10 118.68 120.58 1mbv s LEU 2 Ca 0.00 1.00 -0.27 0.00 -1.03 0.00 0.00 54.13 53.83 1mbv s LEU 2 Cb 0.00 -3.05 -0.09 0.00 0.03 0.00 0.00 46.19 43.08 1mbv s LEU 2 CO 0.00 0.17 1.18 0.54 0.23 0.00 0.00 176.35 178.47 1mbv s ASN 3 N -1.57 6.83 0.13 2.29 2.20 -0.87 -4.79 114.94 119.16 1mbv s ASN 3 Ca 0.33 2.41 -0.10 0.00 -0.94 0.00 0.00 52.86 54.56 1mbv s ASN 3 Cb -0.15 -2.63 0.13 0.00 -2.00 0.00 0.00 41.25 36.60 1mbv s ASN 3 CO 0.18 -0.46 0.87 0.00 -2.94 0.00 0.00 177.10 174.74 1mbv n GLN 4 N 0.62 -0.13 0.04 3.55 6.02 -1.26 -0.77 117.38 125.44 1mbv n GLN 4 Ca 0.01 0.86 -0.11 0.00 -0.01 0.00 0.00 57.00 57.76 1mbv n GLN 4 Cb 0.45 -1.28 -0.04 0.00 1.02 0.00 0.00 30.24 30.39 1mbv n GLN 4 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1mbv h GLU 5 N 0.00 -0.22 -0.45 -1.09 4.39 -1.96 -0.88 114.58 114.37 1mbv h GLU 5 Ca 0.19 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.96 1mbv h GLU 5 Cb 0.33 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 1mbv h GLU 5 CO -0.55 -0.14 0.18 1.25 -1.16 0.00 0.00 179.01 178.58 1mbv h LEU 6 N -0.23 0.21 -1.83 1.33 5.85 -1.28 0.18 115.31 119.56 1mbv h LEU 6 Ca 0.06 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1mbv h LEU 6 Cb 0.30 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1mbv h LEU 6 CO -0.15 0.16 -0.12 -0.08 -0.34 0.00 0.00 178.44 177.90 1mbv h GLU 7 N 0.36 0.00 0.37 1.25 4.81 -1.16 0.11 114.58 120.33 1mbv h GLU 7 Ca 0.21 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1mbv h GLU 7 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1mbv h GLU 7 CO -0.19 0.12 -0.18 1.25 -0.73 0.00 0.00 179.01 179.28 1mbv h LEU 8 N 0.00 -0.42 -1.95 1.64 5.85 0.33 -1.25 115.31 119.51 1mbv h LEU 8 Ca -0.00 -0.14 0.25 0.00 0.84 0.00 0.00 57.88 58.83 1mbv h LEU 8 Cb 0.23 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1mbv h LEU 8 CO 0.02 -0.01 0.68 0.28 -0.34 0.00 0.00 178.44 179.06 1mbv h SER 9 N -0.93 0.00 0.09 1.25 0.02 -0.13 0.44 113.55 114.31 1mbv h SER 9 Ca -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1mbv h SER 9 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1mbv h SER 9 CO 0.08 0.00 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.66 1mbv h LEU 10 N 0.00 -0.11 -1.93 5.07 3.38 -0.55 -2.53 115.31 118.65 1mbv h LEU 10 Ca 0.42 0.00 0.45 0.00 0.09 0.00 0.00 57.88 58.84 1mbv h LEU 10 Cb 1.77 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.47 1mbv h LEU 10 CO -0.00 0.07 1.11 0.78 0.09 0.00 0.00 178.44 180.48 1mbv h ASN 11 N -0.42 0.03 0.67 -0.43 4.21 -0.43 0.11 115.58 119.32 1mbv h ASN 11 Ca -0.01 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 1mbv h ASN 11 Cb 0.10 0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.31 1mbv h ASN 11 CO 0.02 -0.01 -0.32 -0.03 -1.29 0.00 0.00 177.43 175.80 1mbv h MET 12 N 0.02 -0.87 -0.00 0.81 4.05 -0.14 -1.07 114.93 117.73 1mbv h MET 12 Ca 0.76 0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 60.19 1mbv h MET 12 Cb 2.96 0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 33.95 1mbv h MET 12 CO -0.05 -0.58 -0.22 0.00 0.23 0.00 0.00 176.91 176.29 1mbv h ALA 13 N -1.37 1.64 0.57 0.39 0.00 -0.43 -2.07 119.26 117.99 1mbv h ALA 13 Ca -0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1mbv h ALA 13 Cb 0.69 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1mbv h ALA 13 CO 0.15 0.27 -0.28 0.74 0.00 0.00 0.00 179.25 180.14 1mbv h PHE 14 N 0.00 -0.72 -0.90 0.00 0.04 -1.04 -2.06 116.94 112.27 1mbv h PHE 14 Ca -0.00 -0.02 0.26 0.00 2.80 0.00 0.00 57.97 61.01 1mbv h PHE 14 Cb 0.39 0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.74 1mbv h PHE 14 CO 0.00 -0.38 0.68 0.00 -0.60 0.00 0.00 178.31 178.01 1mbv h ALA 15 N -0.85 2.81 0.01 2.45 0.00 -0.92 0.37 119.26 123.13 1mbv h ALA 15 Ca -0.08 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1mbv h ALA 15 Cb 0.65 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1mbv h ALA 15 CO 0.13 -1.14 -1.00 -0.09 0.00 0.00 0.00 179.25 177.15 1mbv h ARG 16 N 0.00 0.50 0.00 0.00 2.43 -1.13 -2.92 114.38 113.26 1mbv h ARG 16 Ca 0.43 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1mbv h ARG 16 Cb 1.79 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 1mbv h ARG 16 CO -0.00 1.19 0.00 0.00 -1.51 0.00 0.00 179.97 179.64 1mbv n ALA 17 N -2.58 1.80 0.01 2.80 0.00 0.13 -2.16 120.51 120.51 1mbv n ALA 17 Ca -0.08 0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1mbv n ALA 17 Cb 0.86 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.76 1mbv n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mbv h ARG 18 N 0.00 0.28 -0.30 0.00 3.08 -1.47 0.78 114.38 116.74 1mbv h ARG 18 Ca 0.00 -0.48 0.02 0.00 0.07 0.00 0.00 59.98 59.59 1mbv h ARG 18 Cb 0.45 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1mbv h ARG 18 CO 0.00 1.23 0.20 1.49 -1.07 0.00 0.00 179.97 181.82 1mbv h GLU 19 N 0.03 0.34 -0.44 0.04 4.81 -1.32 0.24 114.58 118.28 1mbv h GLU 19 Ca -0.41 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1mbv h GLU 19 Cb 2.01 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.32 1mbv h GLU 19 CO 0.09 0.22 0.00 0.72 -0.73 0.00 0.00 179.01 179.31 1mbv n HIS 20 N -4.49 0.57 -3.91 0.92 8.25 -0.92 -4.98 115.22 110.66 1mbv n HIS 20 Ca 0.02 -0.29 -0.27 0.00 -0.26 0.00 0.00 57.72 56.92 1mbv n HIS 20 Cb 0.12 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.24 1mbv n HIS 20 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1mbv n ARG 21 N 1.50 -4.52 -2.58 -0.41 1.74 0.85 -4.91 116.66 108.34 1mbv n ARG 21 Ca 0.20 0.53 -0.41 0.00 -0.77 0.00 0.00 57.85 57.39 1mbv n ARG 21 Cb 0.61 -5.13 -0.04 0.00 -1.02 0.00 0.00 32.46 26.88 1mbv n ARG 21 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1mbv s HIS 22 N -3.55 3.63 0.10 -1.55 3.76 0.27 -2.17 115.29 115.78 1mbv s HIS 22 Ca 0.34 1.61 -0.20 0.00 -0.15 0.00 0.00 55.06 56.66 1mbv s HIS 22 Cb -0.17 -3.22 -0.09 0.00 1.11 0.00 0.00 32.58 30.21 1mbv s HIS 22 CO 0.85 -0.42 1.70 1.49 -0.85 0.00 0.00 174.74 177.51 1mbv h GLU 23 N 5.82 0.24 -6.74 1.40 4.81 -1.21 -3.41 114.58 115.49 1mbv h GLU 23 Ca -0.43 -0.03 -0.69 0.00 -0.13 0.00 0.00 59.36 58.08 1mbv h GLU 23 Cb 1.21 -0.05 -0.26 0.00 0.63 0.00 0.00 28.75 30.29 1mbv h GLU 23 CO 0.74 0.24 -0.88 -0.06 -0.73 0.00 0.00 179.01 178.32 1mbv s PHE 24 N -5.87 2.30 -0.31 0.92 0.08 -1.26 -0.92 117.98 112.92 1mbv s PHE 24 Ca -0.13 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 56.39 1mbv s PHE 24 Cb 0.07 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1mbv s PHE 24 CO 0.69 0.15 0.21 1.41 -0.10 0.00 0.00 175.22 177.59 1mbv s MET 25 N -1.36 3.70 0.39 0.44 -2.45 -0.05 -4.88 119.30 115.09 1mbv s MET 25 Ca 0.12 -0.50 0.04 0.00 -1.25 0.00 0.00 55.69 54.11 1mbv s MET 25 Cb -0.10 -3.73 0.07 0.00 1.25 0.00 0.00 34.83 32.32 1mbv s MET 25 CO 0.03 -0.32 0.54 0.25 1.05 0.00 0.00 175.02 176.57 1mbv n THR 26 N 5.08 0.00 -0.08 10.11 -2.24 -1.26 -1.17 114.28 124.72 1mbv n THR 26 Ca -0.13 -1.16 -0.12 0.00 -2.27 0.00 0.00 64.05 60.36 1mbv n THR 26 Cb 0.51 -0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 67.89 1mbv n THR 26 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1mbv h VAL 27 N -0.10 1.31 -0.99 2.28 2.07 -1.95 -2.53 116.25 116.34 1mbv h VAL 27 Ca -0.18 -1.23 0.16 0.00 0.82 0.00 0.00 66.70 66.26 1mbv h VAL 27 Cb 0.79 1.62 -0.09 0.00 -1.52 0.00 0.00 31.29 32.08 1mbv h VAL 27 CO 0.24 0.38 0.62 -0.33 0.02 0.00 0.00 177.57 178.50 1mbv h GLU 28 N 0.21 0.82 -0.81 1.57 3.07 -1.97 1.02 114.58 118.49 1mbv h GLU 28 Ca 0.05 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1mbv h GLU 28 Cb 0.65 -0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.33 1mbv h GLU 28 CO 0.04 0.54 0.52 0.45 -1.40 0.00 0.00 179.01 179.16 1mbv h HIS 29 N 0.84 0.98 0.35 4.33 3.86 -1.84 -2.17 115.15 121.50 1mbv h HIS 29 Ca 0.53 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.74 1mbv h HIS 29 Cb 0.71 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1mbv h HIS 29 CO -0.00 0.57 -0.17 1.25 0.86 0.00 0.00 177.93 180.44 1mbv h LEU 30 N 1.02 -0.39 -1.01 2.43 5.85 0.11 -0.58 115.31 122.73 1mbv h LEU 30 Ca 0.32 0.01 0.35 0.00 0.84 0.00 0.00 57.88 59.40 1mbv h LEU 30 Cb -0.02 0.10 -0.16 0.00 0.37 0.00 0.00 40.66 40.96 1mbv h LEU 30 CO -0.10 -0.18 0.57 0.25 -0.34 0.00 0.00 178.44 178.64 1mbv h LEU 31 N -0.68 0.46 0.54 2.25 5.85 0.38 0.65 115.31 124.77 1mbv h LEU 31 Ca -0.05 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1mbv h LEU 31 Cb 0.36 0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1mbv h LEU 31 CO 0.08 -0.22 -0.26 0.25 -0.34 0.00 0.00 178.44 177.95 1mbv h LEU 32 N 0.23 -0.62 -2.15 2.25 5.85 -1.35 -1.85 115.31 117.67 1mbv h LEU 32 Ca 0.77 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.50 1mbv h LEU 32 Cb 1.84 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 43.03 1mbv h LEU 32 CO -0.65 -0.29 0.28 0.00 -0.34 0.00 0.00 178.44 177.45 1mbv h ALA 33 N -0.67 1.82 -0.23 1.25 0.00 0.11 0.22 119.26 121.76 1mbv h ALA 33 Ca -0.07 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1mbv h ALA 33 Cb 0.63 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1mbv h ALA 33 CO 0.12 -0.40 -0.35 -0.07 0.00 0.00 0.00 179.25 178.55 1mbv h LEU 34 N 0.00 0.52 -1.69 0.00 3.38 0.92 -3.06 115.31 115.38 1mbv h LEU 34 Ca 0.11 -0.21 0.27 0.00 0.09 0.00 0.00 57.88 58.14 1mbv h LEU 34 Cb 0.67 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1mbv h LEU 34 CO -0.00 0.83 0.88 -0.07 0.09 0.00 0.00 178.44 180.17 1mbv h LEU 35 N 0.42 0.00 -4.65 1.67 3.38 0.09 0.14 115.31 116.36 1mbv h LEU 35 Ca 0.05 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.41 1mbv h LEU 35 Cb 0.81 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.16 1mbv h LEU 35 CO 0.07 0.00 -0.54 -1.54 0.09 0.00 0.00 178.44 176.52 1mbv n SER 36 N -3.69 4.98 -3.97 -0.43 3.41 -1.16 -4.59 113.62 108.17 1mbv n SER 36 Ca 0.20 -3.73 -0.26 0.00 -0.26 0.00 0.00 58.87 54.82 1mbv n SER 36 Cb 1.19 -0.53 -0.17 0.00 -0.26 0.00 0.00 64.21 64.44 1mbv n SER 36 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1mbv s ASN 37 N -3.29 2.08 0.00 4.04 3.84 0.48 -4.98 114.94 117.11 1mbv s ASN 37 Ca 0.48 -0.33 0.00 0.00 0.21 0.00 0.00 52.86 53.23 1mbv s ASN 37 Cb 0.39 -0.88 0.00 0.00 -0.55 0.00 0.00 41.25 40.21 1mbv s ASN 37 CO -0.21 -0.04 0.52 -2.65 -2.79 0.00 0.00 177.10 171.93 1mbv n PRO 38 N 4.42 0.00 -0.31 0.43 -0.02 -1.26 -0.79 135.00 137.47 1mbv n PRO 38 Ca -0.18 0.52 0.15 0.00 -2.02 0.00 0.00 63.50 61.97 1mbv n PRO 38 Cb 0.51 -0.92 0.33 0.00 -0.02 0.00 0.00 33.50 33.40 1mbv n PRO 38 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1mbv h SER 39 N 0.00 0.27 0.41 2.55 0.87 -1.97 -1.77 113.55 113.91 1mbv h SER 39 Ca 0.00 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1mbv h SER 39 Cb 0.00 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1mbv h SER 39 CO 0.00 -0.07 -0.20 0.00 -0.53 0.00 0.00 176.83 176.03 1mbv h ALA 40 N 1.76 -0.71 -0.99 6.23 0.00 -1.66 -3.27 119.26 120.61 1mbv h ALA 40 Ca 0.59 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.47 1mbv h ALA 40 Cb 1.19 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1mbv h ALA 40 CO -0.58 -0.67 0.64 0.07 0.00 0.00 0.00 179.25 178.71 1mbv h ARG 41 N -0.86 1.06 -0.67 0.00 0.11 -0.81 -1.43 114.38 111.77 1mbv h ARG 41 Ca -0.06 -0.06 0.13 0.00 0.10 0.00 0.00 59.98 60.09 1mbv h ARG 41 Cb 0.42 -0.24 -0.13 0.00 1.11 0.00 0.00 29.97 31.13 1mbv h ARG 41 CO 0.09 0.70 -0.18 0.93 0.10 0.00 0.00 179.97 181.61 1mbv h GLU 42 N 1.09 -0.01 -0.10 0.08 5.08 -1.43 2.17 114.58 121.46 1mbv h GLU 42 Ca 0.45 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.82 1mbv h GLU 42 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1mbv h GLU 42 CO -0.20 -0.01 0.03 0.00 -1.00 0.00 0.00 179.01 177.83 1mbv h ALA 43 N 1.62 0.11 0.14 3.43 0.00 -1.34 0.13 119.26 123.35 1mbv h ALA 43 Ca 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1mbv h ALA 43 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1mbv h ALA 43 CO -0.70 -0.42 -0.07 -0.07 0.00 0.00 0.00 179.25 177.99 1mbv h LEU 44 N 0.08 -0.16 -0.27 0.00 3.38 0.87 -2.25 115.31 116.97 1mbv h LEU 44 Ca 0.04 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1mbv h LEU 44 Cb 0.02 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1mbv h LEU 44 CO -0.05 -0.11 -0.24 -0.33 0.09 0.00 0.00 178.44 177.80 1mbv h GLU 45 N -0.19 -0.23 -0.05 1.13 5.08 0.34 0.22 114.58 120.89 1mbv h GLU 45 Ca -0.02 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1mbv h GLU 45 Cb 0.15 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1mbv h GLU 45 CO 0.03 -0.15 0.45 0.00 -1.00 0.00 0.00 179.01 178.34 1mbv h ALA 46 N 0.83 1.52 -0.33 3.43 0.00 -0.22 1.20 119.26 125.70 1mbv h ALA 46 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1mbv h ALA 46 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1mbv h ALA 46 CO -0.41 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.37 1mbv n SER 48 N 1.44 -4.83 -4.80 0.00 7.64 0.41 -4.93 113.62 108.55 1mbv n SER 48 Ca 0.19 -0.45 -0.36 0.00 1.01 0.00 0.00 58.87 59.25 1mbv n SER 48 Cb 0.60 -3.53 -0.07 0.00 -1.01 0.00 0.00 64.21 60.20 1mbv n SER 48 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mbv s VAL 49 N -3.25 5.37 -1.20 0.44 1.01 -1.07 -4.99 120.40 116.70 1mbv s VAL 49 Ca 0.28 0.38 -0.22 0.00 0.00 0.00 0.00 61.98 62.42 1mbv s VAL 49 Cb -0.04 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1mbv s VAL 49 CO 0.48 0.51 1.87 -0.62 0.00 0.00 0.00 175.10 177.34 1mbv s ASP 50 N -0.32 5.55 0.15 3.32 -1.08 -1.26 -4.76 116.67 118.27 1mbv s ASP 50 Ca 0.15 -1.81 0.04 0.00 -0.52 0.00 0.00 52.55 50.41 1mbv s ASP 50 Cb -0.13 -2.58 0.23 0.00 -1.46 0.00 0.00 42.92 38.98 1mbv s ASP 50 CO 0.04 -2.52 0.90 0.18 0.52 0.00 0.00 175.17 174.29 1mbv n LEU 51 N 12.66 0.11 -0.13 -1.34 4.77 -1.26 -1.23 117.00 130.57 1mbv n LEU 51 Ca 0.45 0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 56.52 1mbv n LEU 51 Cb 0.47 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 1mbv n LEU 51 CO 0.70 -0.36 -1.40 0.52 -1.33 0.00 0.00 177.39 175.52 1mbv n VAL 52 N -1.56 1.49 0.24 4.08 0.31 -1.26 -3.65 118.33 117.98 1mbv n VAL 52 Ca -0.00 -0.47 0.07 0.00 -0.01 0.00 0.00 64.34 63.93 1mbv n VAL 52 Cb 0.37 -1.65 0.57 0.00 -0.91 0.00 0.00 33.84 32.22 1mbv n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mbv h ALA 53 N -0.52 1.74 -0.79 3.52 0.00 -1.57 -1.65 119.26 119.98 1mbv h ALA 53 Ca -0.64 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1mbv h ALA 53 Cb 1.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1mbv h ALA 53 CO -0.26 0.15 0.00 -0.11 0.00 0.00 0.00 179.25 179.03 1mbv n LEU 54 N -4.30 0.39 -0.16 0.00 7.94 -0.62 -2.07 117.00 118.18 1mbv n LEU 54 Ca -0.03 0.62 0.01 0.00 -1.11 0.00 0.00 56.01 55.51 1mbv n LEU 54 Cb 0.20 -0.37 0.04 0.00 0.53 0.00 0.00 43.42 43.82 1mbv n LEU 54 CO 0.35 -0.37 0.28 -1.14 -1.11 0.00 0.00 177.39 175.40 1mbv n ARG 55 N -1.60 -0.07 0.00 1.96 0.63 -1.17 -0.13 116.66 116.28 1mbv n ARG 55 Ca 0.00 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1mbv n ARG 55 Cb 0.00 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 31.89 1mbv n ARG 55 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1mbv n GLN 56 N -4.69 0.00 -0.45 -0.14 6.02 -0.63 -0.94 117.38 116.55 1mbv n GLN 56 Ca 0.06 0.42 0.37 0.00 -0.01 0.00 0.00 57.00 57.83 1mbv n GLN 56 Cb 0.20 -1.30 0.60 0.00 1.02 0.00 0.00 30.24 30.76 1mbv n GLN 56 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1mbv n GLU 57 N -1.60 -0.02 -0.06 -1.09 1.02 0.82 -0.61 120.64 119.10 1mbv n GLU 57 Ca 0.00 1.01 -0.04 0.00 -0.02 0.00 0.00 57.16 58.10 1mbv n GLU 57 Cb 0.00 -2.07 -0.04 0.00 -0.02 0.00 0.00 31.44 29.32 1mbv n GLU 57 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1mbv h LEU 58 N 0.00 0.00 -0.80 -4.62 3.38 -1.14 -2.46 115.31 109.68 1mbv h LEU 58 Ca 0.75 -0.28 0.19 0.00 0.09 0.00 0.00 57.88 58.62 1mbv h LEU 58 Cb 2.58 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 43.19 1mbv h LEU 58 CO -0.29 0.65 0.00 -0.33 0.09 0.00 0.00 178.44 178.57 1mbv h GLU 59 N -1.00 0.09 -0.26 1.13 4.39 0.10 0.97 114.58 120.00 1mbv h GLU 59 Ca -0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1mbv h GLU 59 Cb 0.30 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1mbv h GLU 59 CO -0.00 0.06 0.16 0.00 -1.16 0.00 0.00 179.01 178.07 1mbv h ALA 60 N 1.76 0.33 -0.02 3.43 0.00 -1.05 -1.92 119.26 121.78 1mbv h ALA 60 Ca 0.44 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.12 1mbv h ALA 60 Cb 0.80 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1mbv h ALA 60 CO -0.71 -0.18 -0.84 0.35 0.00 0.00 0.00 179.25 177.87 1mbv h PHE 61 N 0.33 0.42 -0.92 0.00 3.04 -0.45 -2.19 116.94 117.17 1mbv h PHE 61 Ca 0.09 -0.21 0.05 0.00 3.98 0.00 0.00 57.97 61.88 1mbv h PHE 61 Cb 0.00 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.40 1mbv h PHE 61 CO -0.05 1.00 0.59 0.82 -2.02 0.00 0.00 178.31 178.65 1mbv h ILE 62 N 0.17 1.10 0.27 1.41 2.04 0.10 -2.87 117.51 119.74 1mbv h ILE 62 Ca -0.05 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1mbv h ILE 62 Cb 1.45 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1mbv h ILE 62 CO 0.14 0.20 -0.13 -0.08 0.00 0.00 0.00 178.15 178.28 1mbv h GLU 63 N 1.11 -0.35 -1.35 2.37 4.57 -1.18 -1.81 114.58 117.94 1mbv h GLU 63 Ca 0.38 0.02 0.40 0.00 -1.18 0.00 0.00 59.36 58.99 1mbv h GLU 63 Cb 0.09 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.68 1mbv h GLU 63 CO -0.15 -0.23 0.93 1.96 -1.18 0.00 0.00 179.01 180.34 1mbv h GLN 64 N -0.42 0.10 0.00 1.92 4.20 -1.38 -3.15 115.11 116.37 1mbv h GLN 64 Ca -0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1mbv h GLN 64 Cb 0.28 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1mbv h GLN 64 CO 0.06 0.06 -0.44 0.25 -0.67 0.00 0.00 178.83 178.09 1mbv n THR 65 N -4.36 0.00 -2.82 -0.54 -2.24 -1.09 -4.98 114.28 98.26 1mbv n THR 65 Ca 0.32 -0.32 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 1mbv n THR 65 Cb 1.38 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 70.48 1mbv n THR 65 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1mbv s THR 66 N -1.74 4.45 0.35 4.28 2.01 -0.68 -4.99 115.64 119.31 1mbv s THR 66 Ca 0.02 0.66 -0.27 0.00 0.31 0.00 0.00 61.69 62.41 1mbv s THR 66 Cb 0.05 -4.46 -0.12 0.00 0.01 0.00 0.00 72.50 67.98 1mbv s THR 66 CO 0.28 -0.90 1.06 -2.65 -0.69 0.00 0.00 174.62 171.73 1mbv n PRO 67 N 7.25 1.52 -4.40 4.92 -0.02 -1.26 -4.79 135.00 138.21 1mbv n PRO 67 Ca 0.05 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 1mbv n PRO 67 Cb 0.48 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.85 1mbv n PRO 67 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mbv s VAL 68 N -1.15 3.90 0.60 -1.45 1.01 -1.26 -0.71 120.40 121.34 1mbv s VAL 68 Ca 0.59 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1mbv s VAL 68 Cb -0.62 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1mbv s VAL 68 CO 0.59 0.42 1.13 -0.76 0.00 0.00 0.00 175.10 176.49 1mbv s LEU 69 N -1.38 3.60 -0.04 3.92 1.43 -0.92 -4.83 118.68 120.46 1mbv s LEU 69 Ca 0.17 2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 55.11 1mbv s LEU 69 Cb -0.11 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 1mbv s LEU 69 CO 0.08 -1.43 1.30 -2.84 0.23 0.00 0.00 176.35 173.68 1mbv s PRO 70 N -3.61 4.31 0.61 1.29 0.02 -1.26 -4.85 135.00 131.51 1mbv s PRO 70 Ca 0.71 1.80 0.27 0.00 0.02 0.00 0.00 61.00 63.80 1mbv s PRO 70 Cb -0.23 -3.59 1.00 0.00 0.02 0.00 0.00 34.50 31.70 1mbv s PRO 70 CO 0.33 -0.53 1.40 0.00 -0.33 0.00 0.00 177.00 177.87 1mbv h ALA 71 N 7.73 2.82 -1.53 -1.55 0.00 -1.99 -3.07 119.26 121.67 1mbv h ALA 71 Ca -0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1mbv h ALA 71 Cb 1.16 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1mbv h ALA 71 CO 0.90 -1.56 0.00 0.43 0.00 0.00 0.00 179.25 179.01 1mbv n SER 72 N -3.30 0.00 -4.89 0.00 7.64 -1.26 -4.83 113.62 106.98 1mbv n SER 72 Ca 0.20 0.75 -0.34 0.00 1.01 0.00 0.00 58.87 60.49 1mbv n SER 72 Cb 1.38 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 64.28 1mbv n SER 72 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1mbv s GLU 73 N -1.98 3.57 -0.07 1.43 -1.05 -1.16 -5.02 118.70 114.42 1mbv s GLU 73 Ca 0.00 -0.11 0.11 0.00 -0.15 0.00 0.00 54.97 54.82 1mbv s GLU 73 Cb 0.00 -3.05 0.29 0.00 -0.44 0.00 0.00 34.13 30.93 1mbv s GLU 73 CO 0.00 0.62 1.22 0.39 0.95 0.00 0.00 175.26 178.44 1mbv n GLU 74 N 0.92 2.64 -0.50 -4.83 -0.58 -1.26 -4.70 120.64 112.33 1mbv n GLU 74 Ca -0.10 -2.22 -0.08 0.00 -0.42 0.00 0.00 57.16 54.34 1mbv n GLU 74 Cb 0.52 -1.40 0.04 0.00 -0.57 0.00 0.00 31.44 30.04 1mbv n GLU 74 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1mbv n GLU 75 N -0.34 1.41 -3.85 3.49 1.02 -1.26 -4.80 120.64 116.32 1mbv n GLU 75 Ca 0.12 -0.91 -0.12 0.00 -0.02 0.00 0.00 57.16 56.23 1mbv n GLU 75 Cb 0.54 -1.36 -0.12 0.00 -0.02 0.00 0.00 31.44 30.49 1mbv n GLU 75 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1mbv s ARG 76 N -1.02 0.29 0.04 3.49 1.81 -1.26 -5.18 118.95 117.12 1mbv s ARG 76 Ca 0.18 -0.04 0.05 0.00 -1.72 0.00 0.00 55.73 54.19 1mbv s ARG 76 Cb 0.14 0.13 -0.02 0.00 -0.45 0.00 0.00 34.95 34.75 1mbv s ARG 76 CO 0.02 -0.05 -0.15 0.34 -0.68 0.00 0.00 175.30 174.77 1mbv s ASP 77 N -0.50 1.83 -0.45 0.23 -1.08 -1.26 -5.08 116.67 110.36 1mbv s ASP 77 Ca -0.06 -0.47 -0.43 0.00 -0.52 0.00 0.00 52.55 51.07 1mbv s ASP 77 Cb -0.04 -0.13 -0.18 0.00 -1.46 0.00 0.00 42.92 41.12 1mbv s ASP 77 CO 0.01 0.06 1.93 0.41 0.52 0.00 0.00 175.17 178.10 1mbv n THR 78 N 1.88 0.07 -3.43 1.71 -1.04 -1.26 -4.90 114.28 107.31 1mbv n THR 78 Ca -0.18 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.42 1mbv n THR 78 Cb 0.54 -0.75 -0.07 0.00 -1.82 0.00 0.00 70.33 68.23 1mbv n THR 78 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1mbv s GLN 79 N 4.80 4.25 0.03 -2.82 -1.52 -0.09 -4.77 119.66 119.53 1mbv s GLN 79 Ca 1.11 0.22 -0.30 0.00 -1.95 0.00 0.00 55.36 54.43 1mbv s GLN 79 Cb -1.36 -3.47 -0.06 0.00 -0.22 0.00 0.00 33.01 27.90 1mbv s GLN 79 CO 0.69 0.11 1.47 -2.14 -0.25 0.00 0.00 175.29 175.17 1mbv s PRO 80 N 0.82 4.26 1.01 2.91 0.02 -1.26 -0.87 135.00 141.90 1mbv s PRO 80 Ca 0.20 2.08 -0.11 0.00 0.02 0.00 0.00 61.00 63.19 1mbv s PRO 80 Cb -0.14 -3.55 0.20 0.00 0.02 0.00 0.00 34.50 31.03 1mbv s PRO 80 CO 0.07 -0.61 1.10 0.25 -0.33 0.00 0.00 177.00 177.48 1mbv n THR 81 N 4.62 0.00 -0.17 0.99 -2.24 -0.32 -4.73 114.28 112.44 1mbv n THR 81 Ca 0.14 -0.16 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 1mbv n THR 81 Cb 0.43 -1.00 0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1mbv n THR 81 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1mbv h LEU 82 N -2.19 0.50 -1.36 3.22 4.07 -1.94 -1.33 115.31 116.28 1mbv h LEU 82 Ca -0.50 -0.00 0.16 0.00 0.08 0.00 0.00 57.88 57.62 1mbv h LEU 82 Cb 1.29 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.86 1mbv h LEU 82 CO 0.44 0.36 0.57 -1.28 -1.08 0.00 0.00 178.44 177.45 1mbv h SER 83 N 0.61 0.57 0.53 -0.43 0.87 -1.96 0.55 113.55 114.30 1mbv h SER 83 Ca 0.20 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1mbv h SER 83 Cb -0.01 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1mbv h SER 83 CO -0.08 0.27 -0.26 0.15 -0.53 0.00 0.00 176.83 176.39 1mbv h PHE 84 N 0.60 -0.66 -0.92 2.24 3.04 -1.57 -2.26 116.94 117.39 1mbv h PHE 84 Ca 0.45 -0.02 0.26 0.00 3.98 0.00 0.00 57.97 62.65 1mbv h PHE 84 Cb 0.84 0.22 -0.15 0.00 2.56 0.00 0.00 35.95 39.43 1mbv h PHE 84 CO -0.00 -0.34 0.33 1.96 -2.02 0.00 0.00 178.31 178.24 1mbv h GLN 85 N -1.06 0.23 -0.47 1.11 4.20 -0.56 -0.73 115.11 117.84 1mbv h GLN 85 Ca -0.07 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 1mbv h GLN 85 Cb 0.62 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1mbv h GLN 85 CO 0.12 0.15 -0.05 0.00 -0.67 0.00 0.00 178.83 178.38 1mbv h ARG 86 N 0.24 0.86 1.01 1.46 3.08 -0.81 -1.99 114.38 118.22 1mbv h ARG 86 Ca 0.61 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 1mbv h ARG 86 Cb 1.29 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.29 1mbv h ARG 86 CO -0.65 0.93 -0.48 0.28 -1.07 0.00 0.00 179.97 178.98 1mbv h VAL 87 N 0.70 0.00 -1.04 2.04 2.07 -0.56 0.11 116.25 119.57 1mbv h VAL 87 Ca 0.13 -0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.91 1mbv h VAL 87 Cb 0.58 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 1mbv h VAL 87 CO 0.03 0.00 0.66 0.25 0.02 0.00 0.00 177.57 178.53 1mbv h LEU 88 N -1.36 0.48 0.12 2.57 7.12 -1.31 -0.92 115.31 122.01 1mbv h LEU 88 Ca -0.14 0.09 -0.30 0.00 0.13 0.00 0.00 57.88 57.67 1mbv h LEU 88 Cb 1.04 0.02 0.03 0.00 -0.53 0.00 0.00 40.66 41.21 1mbv h LEU 88 CO 0.23 0.08 -1.26 -0.61 -0.13 0.00 0.00 178.44 176.75 1mbv h GLN 89 N 0.42 0.56 0.00 1.25 4.15 -0.81 -2.38 115.11 118.31 1mbv h GLN 89 Ca 0.61 -0.78 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 1mbv h GLN 89 Cb 1.48 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 29.43 1mbv h GLN 89 CO -0.33 1.35 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.81 1mbv h ARG 90 N 0.23 0.00 0.24 1.69 2.43 0.54 -0.55 114.38 118.96 1mbv h ARG 90 Ca -0.19 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.65 1mbv h ARG 90 Cb 1.94 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 31.53 1mbv h ARG 90 CO 0.24 0.03 -1.44 0.00 -1.51 0.00 0.00 179.97 177.28 1mbv h ALA 91 N 1.97 -0.15 -0.34 2.80 0.00 -1.29 -2.82 119.26 119.44 1mbv h ALA 91 Ca -0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.03 1mbv h ALA 91 Cb 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1mbv h ALA 91 CO 0.00 0.68 0.08 0.28 0.00 0.00 0.00 179.25 180.29 1mbv h VAL 92 N 0.15 1.22 -0.10 0.00 2.07 -0.91 -2.17 116.25 116.51 1mbv h VAL 92 Ca -0.25 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.54 1mbv h VAL 92 Cb 2.13 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1mbv h VAL 92 CO 0.27 0.25 0.07 0.15 0.02 0.00 0.00 177.57 178.33 1mbv h PHE 93 N 0.39 0.04 0.11 1.57 3.04 -1.20 -1.48 116.94 119.42 1mbv h PHE 93 Ca 0.11 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.89 1mbv h PHE 93 Cb 0.30 -0.02 0.01 0.00 2.56 0.00 0.00 35.95 38.81 1mbv h PHE 93 CO 0.02 0.03 -0.77 1.25 -2.02 0.00 0.00 178.31 176.81 1mbv h HIS 94 N 0.05 0.42 -0.05 0.41 2.76 -1.25 -2.99 115.15 114.50 1mbv h HIS 94 Ca 0.04 -0.31 0.02 0.00 -2.20 0.00 0.00 60.37 57.92 1mbv h HIS 94 Cb 0.12 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 1mbv h HIS 94 CO -0.00 1.30 0.13 0.28 -1.30 0.00 0.00 177.93 178.33 1mbv h VAL 95 N -0.49 0.21 0.00 5.26 2.07 -1.14 0.17 116.25 122.33 1mbv h VAL 95 Ca -0.15 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.18 1mbv h VAL 95 Cb 1.54 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1mbv h VAL 95 CO 0.10 0.00 -0.89 -0.61 0.02 0.00 0.00 177.57 176.19 1mbv h GLN 96 N 0.00 0.03 -0.69 1.57 4.15 -1.22 -3.12 115.11 115.83 1mbv h GLN 96 Ca 0.03 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1mbv h GLN 96 Cb 0.28 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1mbv h GLN 96 CO -0.00 0.90 0.00 -1.13 -1.93 0.00 0.00 178.83 176.67 1mbv n SER 97 N -3.51 2.90 0.00 -0.69 3.41 0.57 -3.00 113.62 113.31 1mbv n SER 97 Ca -0.01 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 1mbv n SER 97 Cb 0.84 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1mbv n SER 97 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1mbv n SER 98 N 0.35 0.75 0.00 4.04 3.41 -1.15 -5.02 113.62 116.00 1mbv n SER 98 Ca 0.13 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 1mbv n SER 98 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1mbv n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mbv n GLY 99 N -0.00 0.96 3.52 5.00 0.00 -1.16 -4.94 105.19 108.57 1mbv n GLY 99 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 1mbv n GLY 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mbv n ARG 100 N 0.00 0.52 0.00 1.61 0.63 -1.26 -4.83 116.66 113.33 1mbv n ARG 100 Ca 0.00 0.19 0.14 0.00 -0.92 0.00 0.00 57.85 57.26 1mbv n ARG 100 Cb 0.00 -1.64 0.77 0.00 0.45 0.00 0.00 32.46 32.04 1mbv n ARG 100 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1mbv n ASN 101 N 1.90 0.00 -4.07 6.15 5.15 -1.26 -4.66 115.26 118.47 1mbv n ASN 101 Ca 0.18 -0.38 -0.23 0.00 -0.60 0.00 0.00 54.58 53.55 1mbv n ASN 101 Cb 0.17 -0.20 -0.16 0.00 -0.53 0.00 0.00 39.78 39.06 1mbv n ASN 101 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1mbv s GLU 102 N -2.39 1.37 0.05 1.20 2.02 -1.26 -4.08 118.70 115.61 1mbv s GLU 102 Ca 0.33 -0.46 -0.22 0.00 0.02 0.00 0.00 54.97 54.64 1mbv s GLU 102 Cb 0.20 -1.23 -0.06 0.00 0.10 0.00 0.00 34.13 33.14 1mbv s GLU 102 CO 0.41 0.18 0.64 0.08 0.02 0.00 0.00 175.26 176.59 1mbv s VAL 103 N 0.10 4.77 0.35 2.63 1.01 -0.89 -4.85 120.40 123.51 1mbv s VAL 103 Ca -0.03 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.39 1mbv s VAL 103 Cb -0.10 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1mbv s VAL 103 CO 0.01 0.46 0.26 0.42 0.00 0.00 0.00 175.10 176.25 1mbv s THR 104 N -0.53 3.28 0.14 3.92 -4.23 -1.26 -2.04 115.64 114.92 1mbv s THR 104 Ca 0.32 -1.46 -0.21 0.00 -1.18 0.00 0.00 61.69 59.17 1mbv s THR 104 Cb -0.20 -3.11 0.01 0.00 1.34 0.00 0.00 72.50 70.55 1mbv s THR 104 CO 0.20 -0.15 1.67 1.23 -0.54 0.00 0.00 174.62 177.02 1mbv h GLY 105 N 1.31 0.03 1.21 3.99 0.00 -1.95 -0.59 103.07 107.07 1mbv h GLY 105 Ca -0.44 0.17 0.11 0.00 0.00 0.00 0.00 47.33 47.17 1mbv h GLY 105 CO 0.60 -0.15 0.28 0.00 0.00 0.00 0.00 176.54 177.28 1mbv h ALA 106 N 1.03 2.36 -0.82 3.60 0.00 -1.89 0.24 119.26 123.77 1mbv h ALA 106 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1mbv h ALA 106 Cb 0.30 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1mbv h ALA 106 CO -0.29 -0.47 0.42 -0.91 0.00 0.00 0.00 179.25 178.00 1mbv h ASN 107 N 0.01 1.06 -0.15 0.00 -0.26 -1.49 -0.70 115.58 114.05 1mbv h ASN 107 Ca 0.19 -0.12 -0.17 0.00 -0.56 0.00 0.00 56.30 55.63 1mbv h ASN 107 Cb 0.74 -0.27 0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1mbv h ASN 107 CO -0.00 0.88 -0.58 0.58 -1.06 0.00 0.00 177.43 177.25 1mbv h VAL 108 N 1.16 1.33 -0.44 2.81 2.07 -0.29 -2.98 116.25 119.90 1mbv h VAL 108 Ca 0.29 -1.84 0.09 0.00 0.82 0.00 0.00 66.70 66.06 1mbv h VAL 108 Cb 0.08 2.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.82 1mbv h VAL 108 CO -0.04 0.57 -0.06 0.25 0.02 0.00 0.00 177.57 178.30 1mbv h LEU 109 N 0.32 -0.32 -1.36 2.57 5.85 -0.53 0.24 115.31 122.07 1mbv h LEU 109 Ca -0.03 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1mbv h LEU 109 Cb 1.21 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 1mbv h LEU 109 CO 0.12 -0.11 0.48 0.58 -0.34 0.00 0.00 178.44 179.17 1mbv h VAL 110 N 0.04 1.05 0.17 1.05 2.07 -1.15 -2.54 116.25 116.95 1mbv h VAL 110 Ca 0.22 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1mbv h VAL 110 Cb 0.33 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1mbv h VAL 110 CO -0.42 0.14 -0.11 0.00 0.02 0.00 0.00 177.57 177.20 1mbv h ALA 111 N 1.60 -0.27 -0.96 1.67 0.00 -0.43 -2.75 119.26 118.12 1mbv h ALA 111 Ca 0.31 -0.05 0.30 0.00 0.00 0.00 0.00 54.91 55.47 1mbv h ALA 111 Cb 0.20 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 17.98 1mbv h ALA 111 CO -0.10 -0.66 0.37 0.82 0.00 0.00 0.00 179.25 179.68 1mbv h ILE 112 N -0.28 0.21 0.00 0.00 2.04 -0.78 0.20 117.51 118.90 1mbv h ILE 112 Ca -0.01 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1mbv h ILE 112 Cb 0.24 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1mbv h ILE 112 CO 0.01 0.03 0.36 -0.26 0.00 0.00 0.00 178.15 178.29 1mbv h PHE 113 N 0.18 0.00 0.00 1.37 -1.00 -1.53 -0.14 116.94 115.82 1mbv h PHE 113 Ca 0.67 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.45 1mbv h PHE 113 Cb 1.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.07 1mbv h PHE 113 CO -0.17 0.00 -0.48 0.43 -1.61 0.00 0.00 178.31 176.47 1mbv n SER 114 N -2.61 0.48 -4.09 2.17 7.64 0.71 -4.35 113.62 113.57 1mbv n SER 114 Ca -0.02 -0.20 -0.43 0.00 1.01 0.00 0.00 58.87 59.23 1mbv n SER 114 Cb 0.40 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1mbv n SER 114 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1mbv n GLU 115 N -1.52 3.57 0.16 1.43 -0.58 -0.07 -4.87 120.64 118.76 1mbv n GLU 115 Ca 0.05 -3.70 0.08 0.00 -0.42 0.00 0.00 57.16 53.17 1mbv n GLU 115 Cb 0.34 -2.94 0.42 0.00 -0.57 0.00 0.00 31.44 28.69 1mbv n GLU 115 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1mbv n GLN 116 N 4.35 0.10 -0.43 3.49 6.02 -1.26 -1.40 117.38 128.25 1mbv n GLN 116 Ca 0.38 0.59 0.08 0.00 -0.01 0.00 0.00 57.00 58.03 1mbv n GLN 116 Cb 0.38 -2.05 0.25 0.00 1.02 0.00 0.00 30.24 29.85 1mbv n GLN 116 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1mbv n GLU 117 N -2.10 3.17 -2.62 -1.09 1.02 -1.26 -4.87 120.64 112.88 1mbv n GLU 117 Ca -0.01 -2.65 -0.25 0.00 -0.02 0.00 0.00 57.16 54.23 1mbv n GLU 117 Cb 0.23 -1.72 0.03 0.00 -0.02 0.00 0.00 31.44 29.95 1mbv n GLU 117 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1mbv s SER 118 N -1.45 5.60 -0.08 1.62 1.04 -0.49 -4.99 113.70 114.95 1mbv s SER 118 Ca 0.39 0.47 -0.24 0.00 0.48 0.00 0.00 55.95 57.05 1mbv s SER 118 Cb 0.28 -1.52 -0.30 0.00 0.10 0.00 0.00 66.02 64.59 1mbv s SER 118 CO 0.13 -0.97 0.83 -0.61 0.98 0.00 0.00 173.24 173.61 1mbv h GLN 119 N 0.03 0.21 -1.24 4.02 5.75 -1.93 -3.05 115.11 118.90 1mbv h GLN 119 Ca -0.45 -0.36 0.42 0.00 -0.15 0.00 0.00 58.65 58.10 1mbv h GLN 119 Cb 1.26 0.13 -0.13 0.00 1.07 0.00 0.00 27.48 29.81 1mbv h GLN 119 CO 0.59 1.17 0.78 0.00 -2.65 0.00 0.00 178.83 178.72 1mbv h ALA 120 N 0.04 2.57 0.13 3.38 0.00 -1.94 0.98 119.26 124.43 1mbv h ALA 120 Ca -0.12 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1mbv h ALA 120 Cb 1.47 0.21 0.02 0.00 0.00 0.00 0.00 17.79 19.49 1mbv h ALA 120 CO 0.10 -1.21 -0.78 0.00 0.00 0.00 0.00 179.25 177.36 1mbv h ALA 121 N 1.67 -0.08 -0.94 0.00 0.00 -1.84 -2.19 119.26 115.88 1mbv h ALA 121 Ca 0.81 -0.69 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1mbv h ALA 121 Cb 2.41 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 20.24 1mbv h ALA 121 CO -0.47 0.36 0.61 -0.92 0.00 0.00 0.00 179.25 178.83 1mbv h TYR 122 N -0.40 1.15 0.58 0.00 5.03 0.20 0.61 116.97 124.14 1mbv h TYR 122 Ca -0.14 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.18 1mbv h TYR 122 Cb 1.61 -0.38 -0.00 0.00 1.55 0.00 0.00 36.73 39.51 1mbv h TYR 122 CO 0.20 0.65 -0.36 -0.07 -1.32 0.00 0.00 178.16 177.26 1mbv h LEU 123 N 1.17 -0.90 -1.07 2.82 4.07 0.61 0.66 115.31 122.67 1mbv h LEU 123 Ca 0.38 0.05 0.31 0.00 0.08 0.00 0.00 57.88 58.70 1mbv h LEU 123 Cb 0.04 0.26 -0.14 0.00 1.08 0.00 0.00 40.66 41.90 1mbv h LEU 123 CO -0.13 -0.55 0.61 -0.07 -1.08 0.00 0.00 178.44 177.22 1mbv h LEU 124 N -0.88 0.53 -0.45 1.67 3.38 -1.00 0.97 115.31 119.53 1mbv h LEU 124 Ca -0.08 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1mbv h LEU 124 Cb 0.70 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1mbv h LEU 124 CO 0.08 -0.07 -0.16 -0.09 0.09 0.00 0.00 178.44 178.29 1mbv h ARG 125 N 0.37 0.00 0.03 1.13 2.43 -0.54 -2.31 114.38 115.49 1mbv h ARG 125 Ca 0.71 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.66 1mbv h ARG 125 Cb 1.63 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.17 1mbv h ARG 125 CO -0.53 0.16 -1.00 -0.22 -1.51 0.00 0.00 179.97 176.87 1mbv h LYS 126 N 0.00 0.16 -1.08 0.20 3.64 0.33 -3.01 116.57 116.82 1mbv h LYS 126 Ca -0.00 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 59.02 1mbv h LYS 126 Cb 0.96 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.78 1mbv h LYS 126 CO 0.02 1.03 0.17 0.72 -2.27 0.00 0.00 179.45 179.12 1mbv n HIS 127 N -3.55 0.78 -0.80 1.91 8.25 -0.06 -4.85 115.22 116.90 1mbv n HIS 127 Ca -0.04 -0.91 0.00 0.00 -0.26 0.00 0.00 57.72 56.51 1mbv n HIS 127 Cb 0.89 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1mbv n HIS 127 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1mbv n GLU 128 N 0.17 -1.56 -2.12 -0.41 -0.58 -1.14 -4.90 120.64 110.11 1mbv n GLU 128 Ca 0.15 0.35 -0.32 0.00 -0.42 0.00 0.00 57.16 56.92 1mbv n GLU 128 Cb 0.77 -4.60 -0.01 0.00 -0.57 0.00 0.00 31.44 27.03 1mbv n GLU 128 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1mbv s VAL 129 N -0.89 4.44 0.01 2.62 1.01 -0.89 -5.02 120.40 121.68 1mbv s VAL 129 Ca 0.00 1.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.91 1mbv s VAL 129 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1mbv s VAL 129 CO 0.00 -0.82 0.17 -0.94 0.00 0.00 0.00 175.10 173.52 1mbv s SER 130 N -3.42 0.01 0.18 3.32 1.04 -1.26 -4.29 113.70 109.27 1mbv s SER 130 Ca 0.58 -0.23 -0.21 0.00 0.48 0.00 0.00 55.95 56.57 1mbv s SER 130 Cb -0.11 0.24 0.10 0.00 0.10 0.00 0.00 66.02 66.35 1mbv s SER 130 CO 0.41 -0.44 1.59 -0.09 0.98 0.00 0.00 173.24 175.69 1mbv h ARG 131 N 3.96 -0.19 -0.51 4.02 2.43 -1.96 -0.99 114.38 121.15 1mbv h ARG 131 Ca -0.31 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.93 1mbv h ARG 131 Cb 1.19 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.70 1mbv h ARG 131 CO 0.43 -0.12 -0.49 1.25 -1.51 0.00 0.00 179.97 179.53 1mbv h LEU 132 N -0.19 -1.69 -0.86 3.80 6.46 -1.97 0.34 115.31 121.19 1mbv h LEU 132 Ca 0.21 0.23 0.08 0.00 -0.12 0.00 0.00 57.88 58.29 1mbv h LEU 132 Cb 0.54 0.71 -0.11 0.00 -0.73 0.00 0.00 40.66 41.07 1mbv h LEU 132 CO -0.62 -0.30 -0.57 0.44 -0.62 0.00 0.00 178.44 176.77 1mbv h ASP 133 N -0.24 -2.06 -0.52 1.25 3.32 -1.62 1.55 116.42 118.11 1mbv h ASP 133 Ca 0.09 0.31 0.02 0.00 0.02 0.00 0.00 57.03 57.46 1mbv h ASP 133 Cb 0.46 0.90 -0.03 0.00 0.22 0.00 0.00 39.33 40.88 1mbv h ASP 133 CO -0.61 -0.27 0.32 0.58 -1.72 0.00 0.00 179.24 177.54 1mbv h VAL 134 N -0.09 1.08 -0.51 -1.35 2.07 -0.36 -0.10 116.25 116.99 1mbv h VAL 134 Ca 0.15 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1mbv h VAL 134 Cb 0.46 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1mbv h VAL 134 CO -0.86 0.12 0.17 0.58 0.02 0.00 0.00 177.57 177.59 1mbv h VAL 135 N 0.64 1.23 -0.42 2.57 2.07 0.21 -1.46 116.25 121.09 1mbv h VAL 135 Ca 0.20 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1mbv h VAL 135 Cb -0.01 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1mbv h VAL 135 CO -0.08 0.28 0.18 0.78 0.02 0.00 0.00 177.57 178.75 1mbv h ASN 136 N 0.68 0.24 -0.91 0.57 2.35 0.26 -0.22 115.58 118.55 1mbv h ASN 136 Ca 0.16 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1mbv h ASN 136 Cb 0.26 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 1mbv h ASN 136 CO -0.01 0.18 0.60 0.15 -1.65 0.00 0.00 177.43 176.70 1mbv h PHE 137 N 0.37 1.14 0.00 1.19 3.04 -0.64 -2.17 116.94 119.87 1mbv h PHE 137 Ca 0.19 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.06 1mbv h PHE 137 Cb 0.13 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 38.24 1mbv h PHE 137 CO -0.12 0.70 -0.50 0.82 -2.02 0.00 0.00 178.31 177.19 1mbv h ILE 138 N 1.22 1.22 0.11 1.41 2.04 -0.13 -2.63 117.51 120.74 1mbv h ILE 138 Ca 0.34 -1.79 -0.28 0.00 1.00 0.00 0.00 64.86 64.14 1mbv h ILE 138 Cb -0.11 2.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1mbv h ILE 138 CO -0.08 0.49 -1.19 0.28 0.00 0.00 0.00 178.15 177.64 1mbv h SER 139 N 0.00 0.62 0.00 1.72 0.02 -0.76 -3.44 113.55 111.70 1mbv h SER 139 Ca -0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1mbv h SER 139 Cb 0.96 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1mbv h SER 139 CO 0.06 1.43 0.00 1.41 -1.14 0.00 0.00 176.83 178.59 1mbv n HIS 140 N -3.68 -0.48 0.00 3.45 8.25 -0.84 -5.09 115.22 116.83 1mbv n HIS 140 Ca -0.10 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1mbv n HIS 140 Cb 0.97 0.19 0.00 0.00 1.12 0.00 0.00 29.99 32.27 1mbv n HIS 140 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mbv n GLY 141 N 2.80 1.73 3.81 -1.41 0.00 -1.00 -5.02 105.19 106.12 1mbv n GLY 141 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1mbv n GLY 141 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73