#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1box h SER 3 N 0.00 0.00 -3.17 4.52 0.02 -0.60 -3.49 113.55 110.83 1box h SER 3 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1box h SER 3 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1box h SER 3 CO 0.00 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 1box n GLY 4 N -0.04 0.37 3.59 -3.77 0.00 -1.26 -5.03 105.19 99.06 1box n GLY 4 Ca -0.00 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 1box n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1box s THR 5 N -1.78 3.72 -0.01 2.61 2.01 -1.26 -1.31 115.64 119.62 1box s THR 5 Ca 0.00 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1box s THR 5 Cb 0.00 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 1box s THR 5 CO 0.00 0.53 -0.15 0.54 -0.69 0.00 0.00 174.62 174.85 1box s VAL 6 N -0.88 1.16 0.22 3.82 0.11 0.25 -4.90 120.40 120.17 1box s VAL 6 Ca 0.14 -0.62 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 1box s VAL 6 Cb -0.11 -0.97 -0.09 0.00 -1.53 0.00 0.00 36.38 33.69 1box s VAL 6 CO 0.04 0.33 1.22 0.00 -3.33 0.00 0.00 175.10 173.36 1box h LEU 8 N 4.81 0.80 -0.53 0.00 5.85 -0.82 -0.20 115.31 125.23 1box h LEU 8 Ca -0.45 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1box h LEU 8 Cb 1.22 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1box h LEU 8 CO 0.73 0.34 0.00 -1.54 -0.34 0.00 0.00 178.44 177.63 1box n SER 9 N -4.69 0.22 0.05 1.25 3.41 -0.78 -1.60 113.62 111.48 1box n SER 9 Ca 0.21 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 1box n SER 9 Cb 0.50 -0.63 0.13 0.00 -0.26 0.00 0.00 64.21 63.96 1box n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1box n ALA 10 N -1.61 3.08 -1.99 7.33 0.00 -0.09 -4.93 120.51 122.31 1box n ALA 10 Ca -0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 53.44 52.86 1box n ALA 10 Cb 0.02 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1box n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1box s LEU 11 N -4.10 3.01 0.70 0.00 1.43 -0.63 -5.03 118.68 114.06 1box s LEU 11 Ca 0.06 0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 53.76 1box s LEU 11 Cb 0.14 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 1box s LEU 11 CO 0.74 -1.31 0.80 -2.65 0.23 0.00 0.00 176.35 174.17 1box n PRO 12 N -2.82 0.49 0.19 1.29 -0.02 -1.26 -4.85 135.00 128.03 1box n PRO 12 Ca 0.06 0.21 0.14 0.00 -2.02 0.00 0.00 63.50 61.90 1box n PRO 12 Cb 0.58 -2.06 0.75 0.00 -0.02 0.00 0.00 33.50 32.75 1box n PRO 12 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1box h PRO 13 N -0.17 0.00 0.00 0.52 0.11 -1.95 -0.76 132.00 129.75 1box h PRO 13 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1box h PRO 13 Cb 1.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1box h PRO 13 CO 0.46 0.00 -0.10 0.93 -0.21 0.00 0.00 178.00 179.08 1box h GLU 14 N 0.00 0.00 -0.17 1.05 3.07 -1.88 -1.02 114.58 115.62 1box h GLU 14 Ca 0.08 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.82 1box h GLU 14 Cb 0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1box h GLU 14 CO -0.00 0.10 -0.41 0.00 -1.40 0.00 0.00 179.01 177.30 1box h ALA 15 N 1.90 0.97 -0.73 3.43 0.00 -1.47 -1.18 119.26 122.17 1box h ALA 15 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1box h ALA 15 Cb 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1box h ALA 15 CO 0.01 0.62 0.42 1.15 0.00 0.00 0.00 179.25 181.46 1box h THR 16 N 0.34 1.21 -0.78 0.00 2.02 -1.31 -1.67 112.91 112.72 1box h THR 16 Ca 0.03 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.74 1box h THR 16 Cb 0.87 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1box h THR 16 CO 0.07 0.23 0.50 0.44 0.37 0.00 0.00 175.52 177.13 1box h ASP 17 N 1.00 0.83 -0.52 4.18 3.32 -1.16 -0.99 116.42 123.08 1box h ASP 17 Ca 0.26 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 1box h ASP 17 Cb -0.01 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1box h ASP 17 CO -0.05 0.58 -0.13 0.74 -1.72 0.00 0.00 179.24 178.66 1box h THR 18 N 0.98 1.27 -0.51 0.35 2.02 -0.97 -1.68 112.91 114.37 1box h THR 18 Ca 0.31 -1.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.18 1box h THR 18 Cb -0.01 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1box h THR 18 CO -0.11 0.45 0.23 -0.07 0.37 0.00 0.00 175.52 176.39 1box h LEU 19 N 0.87 0.65 -0.82 2.58 3.38 -0.96 -0.93 115.31 120.08 1box h LEU 19 Ca 0.13 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1box h LEU 19 Cb 0.70 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1box h LEU 19 CO 0.05 0.57 -0.46 0.78 0.09 0.00 0.00 178.44 179.47 1box h ASN 20 N 0.72 0.32 -0.14 -0.43 2.35 -0.78 -0.77 115.58 116.84 1box h ASN 20 Ca 0.18 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 1box h ASN 20 Cb 0.11 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1box h ASN 20 CO -0.02 0.73 -0.36 -0.07 -1.65 0.00 0.00 177.43 176.07 1box h LEU 21 N 0.24 0.68 -0.81 1.61 3.38 -0.79 -2.29 115.31 117.33 1box h LEU 21 Ca 0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1box h LEU 21 Cb 0.91 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1box h LEU 21 CO 0.07 0.98 0.47 0.40 0.09 0.00 0.00 178.44 180.45 1box h ILE 22 N 0.55 1.23 0.00 1.22 2.04 -0.92 0.30 117.51 121.93 1box h ILE 22 Ca 0.05 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1box h ILE 22 Cb 0.87 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1box h ILE 22 CO 0.08 0.25 -0.24 0.00 0.00 0.00 0.00 178.15 178.24 1box h ALA 23 N 1.25 1.22 -0.66 1.87 0.00 -0.79 -2.27 119.26 119.89 1box h ALA 23 Ca 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1box h ALA 23 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1box h ALA 23 CO -0.05 0.29 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 1box n SER 24 N -3.69 3.75 -3.80 0.00 3.41 -0.89 -4.94 113.62 107.46 1box n SER 24 Ca -0.01 -2.00 -0.28 0.00 -0.26 0.00 0.00 58.87 56.32 1box n SER 24 Cb 0.35 -0.44 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 1box n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1box n ASP 25 N 1.57 -5.15 0.00 4.04 8.00 -0.69 -4.79 116.55 119.54 1box n ASP 25 Ca 0.23 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1box n ASP 25 Cb 0.60 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.41 1box n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1box n GLY 26 N -1.79 -1.52 3.78 0.44 0.00 0.96 -4.81 105.19 102.25 1box n GLY 26 Ca 0.01 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 1box n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1box s PRO 27 N 0.00 3.62 0.09 1.61 0.04 -1.26 -4.95 135.00 134.16 1box s PRO 27 Ca 0.00 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.56 1box s PRO 27 Cb 0.00 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1box s PRO 27 CO 0.00 -0.61 0.24 -0.06 0.04 0.00 0.00 177.00 176.61 1box s PHE 28 N -1.83 3.51 0.25 0.56 0.08 -1.26 -5.01 117.98 114.27 1box s PHE 28 Ca 0.69 0.21 0.09 0.00 0.12 0.00 0.00 56.93 58.03 1box s PHE 28 Cb -0.21 -1.73 0.28 0.00 -0.57 0.00 0.00 43.02 40.79 1box s PHE 28 CO 0.25 0.56 1.57 -1.00 -0.10 0.00 0.00 175.22 176.50 1box h PRO 29 N 2.75 0.06 -6.61 0.24 0.13 -1.98 -3.46 132.00 123.13 1box h PRO 29 Ca -0.46 -0.04 -0.66 0.00 -0.87 0.00 0.00 66.00 63.96 1box h PRO 29 Cb 1.17 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.06 1box h PRO 29 CO 0.73 0.69 -0.87 0.71 -0.23 0.00 0.00 178.00 179.04 1box s TYR 30 N -3.56 2.18 -0.05 1.56 2.02 -1.26 -5.03 117.35 113.21 1box s TYR 30 Ca -0.02 -0.40 0.31 0.00 -0.37 0.00 0.00 57.07 56.60 1box s TYR 30 Cb 0.12 -1.26 1.19 0.00 -0.40 0.00 0.00 41.96 41.61 1box s TYR 30 CO 0.78 0.18 1.91 0.66 -1.57 0.00 0.00 175.55 177.50 1box h SER 31 N 4.52 0.00 0.00 2.29 4.64 -2.04 -1.25 113.55 121.71 1box h SER 31 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1box h SER 31 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1box h SER 31 CO 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.38 1box n GLN 32 N -2.97 0.80 -2.81 4.77 1.13 -1.26 -4.75 117.38 112.29 1box n GLN 32 Ca 0.01 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.65 1box n GLN 32 Cb 0.33 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.19 1box n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1box s ASP 33 N -1.93 7.05 0.00 1.08 1.01 -0.48 -2.98 116.67 120.42 1box s ASP 33 Ca 0.35 1.30 0.00 0.00 0.71 0.00 0.00 52.55 54.91 1box s ASP 33 Cb 0.16 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1box s ASP 33 CO 0.27 -0.45 0.00 0.61 0.21 0.00 0.00 175.17 175.81 1box n GLY 34 N 3.34 0.44 3.76 0.21 0.00 0.10 -4.99 105.19 108.06 1box n GLY 34 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1box n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1box s VAL 35 N -2.00 3.11 0.23 1.61 -7.23 -1.16 -4.68 120.40 110.29 1box s VAL 35 Ca 0.00 0.48 -0.31 0.00 -1.81 0.00 0.00 61.98 60.34 1box s VAL 35 Cb 0.00 -2.98 -0.11 0.00 0.56 0.00 0.00 36.38 33.85 1box s VAL 35 CO 0.00 -0.36 1.54 -0.69 -0.31 0.00 0.00 175.10 175.28 1box s VAL 36 N -2.43 2.44 -0.20 1.32 1.01 -1.26 -1.26 120.40 120.01 1box s VAL 36 Ca 0.67 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.86 1box s VAL 36 Cb -0.21 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1box s VAL 36 CO 0.46 0.05 0.26 0.12 0.00 0.00 0.00 175.10 175.98 1box s PHE 37 N 0.41 3.38 -0.40 5.22 5.36 0.03 -4.79 117.98 127.20 1box s PHE 37 Ca 0.65 0.45 -0.23 0.00 -0.96 0.00 0.00 56.93 56.84 1box s PHE 37 Cb -0.45 -2.35 0.01 0.00 -0.34 0.00 0.00 43.02 39.90 1box s PHE 37 CO 0.40 0.11 0.76 -0.65 -1.46 0.00 0.00 175.22 174.38 1box s GLN 38 N 0.90 3.59 0.00 10.12 -0.21 -1.26 -4.44 119.66 128.36 1box s GLN 38 Ca 0.13 0.09 0.22 0.00 0.02 0.00 0.00 55.36 55.83 1box s GLN 38 Cb -0.13 -3.86 0.92 0.00 1.00 0.00 0.00 33.01 30.93 1box s GLN 38 CO 0.05 -0.94 1.64 -1.13 -2.12 0.00 0.00 175.29 172.79 1box n SER 39 N 6.47 1.31 -0.27 5.90 3.41 -1.26 -4.50 113.62 124.68 1box n SER 39 Ca 0.02 -1.59 0.06 0.00 -0.26 0.00 0.00 58.87 57.10 1box n SER 39 Cb 0.48 -0.06 0.17 0.00 -0.26 0.00 0.00 64.21 64.54 1box n SER 39 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1box h ARG 40 N 1.81 0.09 -0.02 4.33 2.43 -1.92 -1.11 114.38 119.99 1box h ARG 40 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1box h ARG 40 Cb 0.39 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1box h ARG 40 CO 0.00 0.06 -0.17 0.39 -1.51 0.00 0.00 179.97 178.74 1box n GLU 41 N -5.36 1.54 -2.26 0.20 4.71 -1.26 -4.99 120.64 113.22 1box n GLU 41 Ca 0.14 -1.12 -0.26 0.00 -0.01 0.00 0.00 57.16 55.91 1box n GLU 41 Cb 0.50 -1.48 0.13 0.00 -1.01 0.00 0.00 31.44 29.58 1box n GLU 41 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1box s SER 42 N -2.23 3.97 -0.00 1.62 1.04 -0.42 -4.98 113.70 112.70 1box s SER 42 Ca 0.28 0.04 0.12 0.00 0.48 0.00 0.00 55.95 56.87 1box s SER 42 Cb 0.20 -0.35 0.35 0.00 0.10 0.00 0.00 66.02 66.32 1box s SER 42 CO 0.42 -2.14 1.29 1.33 0.98 0.00 0.00 173.24 175.13 1box n VAL 43 N -3.20 0.54 -1.86 5.02 0.24 -1.26 -4.90 118.33 112.91 1box n VAL 43 Ca 0.14 -0.53 -0.30 0.00 -2.04 0.00 0.00 64.34 61.60 1box n VAL 43 Cb 0.60 0.26 0.03 0.00 -1.47 0.00 0.00 33.84 33.26 1box n VAL 43 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1box s LEU 44 N -1.01 3.03 0.35 1.34 1.43 -1.26 -3.86 118.68 118.70 1box s LEU 44 Ca 0.26 1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 54.34 1box s LEU 44 Cb 0.14 -4.17 -0.11 0.00 0.03 0.00 0.00 46.19 42.08 1box s LEU 44 CO 0.18 -1.17 1.51 -2.65 0.23 0.00 0.00 176.35 174.45 1box n PRO 45 N -2.92 2.65 -2.05 1.29 -0.02 -1.26 -4.89 135.00 127.81 1box n PRO 45 Ca 0.07 0.93 -0.42 0.00 -2.02 0.00 0.00 63.50 62.06 1box n PRO 45 Cb 0.56 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1box n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1box s THR 46 N -0.75 2.91 0.06 3.45 2.01 -1.26 -5.00 115.64 117.06 1box s THR 46 Ca 0.57 0.68 -0.11 0.00 0.31 0.00 0.00 61.69 63.14 1box s THR 46 Cb -0.49 -3.44 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1box s THR 46 CO 0.59 0.07 0.24 -1.10 -0.69 0.00 0.00 174.62 173.73 1box s GLN 47 N 0.71 0.80 0.74 4.92 -1.52 -1.26 -5.17 119.66 118.88 1box s GLN 47 Ca 0.65 -0.70 -0.11 0.00 -1.95 0.00 0.00 55.36 53.25 1box s GLN 47 Cb -0.40 0.34 0.03 0.00 -0.22 0.00 0.00 33.01 32.76 1box s GLN 47 CO 0.34 -0.26 1.08 0.45 -0.25 0.00 0.00 175.29 176.65 1box s SER 48 N -2.37 4.92 0.05 5.90 0.15 -1.26 -4.88 113.70 116.20 1box s SER 48 Ca -0.01 1.72 -0.37 0.00 0.70 0.00 0.00 55.95 57.98 1box s SER 48 Cb 0.01 -2.50 -0.16 0.00 -1.71 0.00 0.00 66.02 61.66 1box s SER 48 CO -0.07 -1.76 1.40 0.00 1.20 0.00 0.00 173.24 174.02 1box n TYR 49 N -3.34 1.63 0.00 3.44 4.19 -1.26 -2.70 117.16 119.12 1box n TYR 49 Ca 0.08 0.60 0.00 0.00 3.31 0.00 0.00 57.90 61.89 1box n TYR 49 Cb 0.53 -2.36 0.00 0.00 0.49 0.00 0.00 39.34 38.00 1box n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1box n GLY 50 N 2.77 0.76 0.18 2.98 0.00 -1.26 -4.95 105.19 105.68 1box n GLY 50 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1box n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1box h TYR 51 N 0.00 0.34 -3.66 1.61 5.03 -1.85 -3.44 116.97 115.00 1box h TYR 51 Ca 0.00 -0.11 -0.67 0.00 2.58 0.00 0.00 58.73 60.52 1box h TYR 51 Cb 0.00 -0.07 -0.17 0.00 1.55 0.00 0.00 36.73 38.04 1box h TYR 51 CO 0.00 0.74 -0.77 0.71 -1.32 0.00 0.00 178.16 177.53 1box s TYR 52 N -3.93 2.65 0.06 -3.82 2.02 -1.26 -3.40 117.35 109.67 1box s TYR 52 Ca -0.05 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.48 1box s TYR 52 Cb 0.12 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1box s TYR 52 CO 0.79 0.40 -0.09 -1.01 -1.57 0.00 0.00 175.55 174.07 1box s HIS 53 N -1.16 0.82 0.11 2.71 3.76 -0.82 -0.79 115.29 119.92 1box s HIS 53 Ca 0.19 -0.58 0.10 0.00 -0.15 0.00 0.00 55.06 54.62 1box s HIS 53 Cb -0.11 -0.47 -0.04 0.00 1.11 0.00 0.00 32.58 33.07 1box s HIS 53 CO 0.11 -0.07 -0.22 -1.83 -0.85 0.00 0.00 174.74 171.88 1box s GLU 54 N -2.12 1.63 -0.00 1.40 -1.05 -0.39 -0.65 118.70 117.52 1box s GLU 54 Ca -0.04 -1.24 -0.02 0.00 -0.15 0.00 0.00 54.97 53.52 1box s GLU 54 Cb -0.07 -2.02 -0.01 0.00 -0.44 0.00 0.00 34.13 31.60 1box s GLU 54 CO -0.00 0.47 0.04 0.71 0.95 0.00 0.00 175.26 177.43 1box s TYR 55 N -1.08 0.09 0.18 4.83 1.51 -0.00 0.02 117.35 122.90 1box s TYR 55 Ca 0.16 -0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 1box s TYR 55 Cb -0.10 -0.08 -0.08 0.00 -0.11 0.00 0.00 41.96 41.60 1box s TYR 55 CO 0.08 -0.15 1.01 0.99 -1.11 0.00 0.00 175.55 176.36 1box s THR 56 N -0.86 4.11 -0.26 -0.71 2.01 -1.26 -1.19 115.64 117.48 1box s THR 56 Ca -0.09 1.90 -0.08 0.00 0.31 0.00 0.00 61.69 63.72 1box s THR 56 Cb -0.06 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1box s THR 56 CO -0.00 0.36 0.10 -0.69 -0.69 0.00 0.00 174.62 173.70 1box s VAL 57 N -0.51 4.52 0.44 3.82 1.01 -0.79 -4.79 120.40 124.10 1box s VAL 57 Ca 0.46 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 1box s VAL 57 Cb -0.27 -3.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 1box s VAL 57 CO 0.33 0.30 1.32 -0.63 0.00 0.00 0.00 175.10 176.42 1box s ILE 58 N 1.64 2.47 -0.37 2.22 1.01 -1.26 -4.38 121.20 122.53 1box s ILE 58 Ca 0.06 0.41 -0.11 0.00 0.00 0.00 0.00 60.65 61.01 1box s ILE 58 Cb -0.15 -3.23 0.02 0.00 0.01 0.00 0.00 42.46 39.11 1box s ILE 58 CO 0.05 0.04 0.20 -0.89 0.00 0.00 0.00 174.94 174.35 1box s THR 59 N -1.29 4.58 0.12 2.92 2.01 -1.26 -4.81 115.64 117.91 1box s THR 59 Ca 0.61 -0.81 -0.35 0.00 0.31 0.00 0.00 61.69 61.44 1box s THR 59 Cb -0.39 -3.53 -0.16 0.00 0.01 0.00 0.00 72.50 68.44 1box s THR 59 CO 0.49 -0.20 1.44 -2.65 -0.69 0.00 0.00 174.62 173.00 1box n PRO 60 N 5.00 1.57 0.00 4.92 -0.02 -1.26 -2.04 135.00 143.17 1box n PRO 60 Ca -0.12 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1box n PRO 60 Cb 0.46 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1box n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1box n GLY 61 N 2.89 2.18 3.84 -1.23 0.00 -1.26 -5.02 105.19 106.59 1box n GLY 61 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1box n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1box s ALA 62 N -2.33 3.08 -2.53 4.61 0.00 -0.86 -4.94 121.76 118.79 1box s ALA 62 Ca 0.00 0.19 0.26 0.00 0.00 0.00 0.00 51.96 52.41 1box s ALA 62 Cb 0.00 -3.09 0.88 0.00 0.00 0.00 0.00 23.12 20.91 1box s ALA 62 CO 0.00 -0.16 1.65 2.89 0.00 0.00 0.00 175.76 180.14 1box n ARG 63 N -1.40 1.78 -4.10 0.00 1.85 -1.26 -4.89 116.66 108.63 1box n ARG 63 Ca 0.06 -1.14 -0.23 0.00 -1.00 0.00 0.00 57.85 55.55 1box n ARG 63 Cb 0.54 -1.47 -0.06 0.00 -1.05 0.00 0.00 32.46 30.42 1box n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1box n THR 64 N 0.38 0.00 0.31 8.89 -2.24 -1.26 -5.02 114.28 115.34 1box n THR 64 Ca 0.18 -2.05 0.08 0.00 -2.27 0.00 0.00 64.05 59.99 1box n THR 64 Cb 0.39 0.69 0.37 0.00 -2.10 0.00 0.00 70.33 69.67 1box n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1box n ARG 65 N -0.83 0.09 0.00 -0.78 1.74 -1.26 -4.84 116.66 110.77 1box n ARG 65 Ca -0.07 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1box n ARG 65 Cb 0.53 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1box n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1box n GLY 66 N -0.51 -0.24 0.00 -0.13 0.00 -1.26 -4.50 105.19 98.55 1box n GLY 66 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1box n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1box n THR 67 N 0.00 0.48 -3.76 2.61 -2.24 -1.26 -4.97 114.28 105.14 1box n THR 67 Ca 0.00 -0.62 -0.36 0.00 -2.27 0.00 0.00 64.05 60.80 1box n THR 67 Cb 0.00 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.00 1box n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1box s ARG 68 N -0.48 4.00 0.08 -0.78 0.52 -1.26 -0.95 118.95 120.08 1box s ARG 68 Ca 0.00 -0.18 -0.09 0.00 -0.52 0.00 0.00 55.73 54.94 1box s ARG 68 Cb 0.00 -3.36 -0.00 0.00 0.52 0.00 0.00 34.95 32.11 1box s ARG 68 CO 0.00 0.42 0.19 1.03 0.02 0.00 0.00 175.30 176.96 1box s ARG 69 N 0.00 0.82 -0.08 3.54 1.81 -0.24 -1.89 118.95 122.91 1box s ARG 69 Ca 0.10 -0.92 0.03 0.00 -1.72 0.00 0.00 55.73 53.22 1box s ARG 69 Cb -0.11 0.33 -0.02 0.00 -0.45 0.00 0.00 34.95 34.70 1box s ARG 69 CO -0.00 -0.26 -0.16 0.42 -0.68 0.00 0.00 175.30 174.62 1box s ILE 70 N -3.69 2.84 -0.13 1.52 1.01 -0.33 -1.49 121.20 120.92 1box s ILE 70 Ca 0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1box s ILE 70 Cb 0.04 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1box s ILE 70 CO -0.10 0.56 -0.07 -0.63 0.00 0.00 0.00 174.94 174.70 1box s ILE 71 N -0.21 3.57 0.03 2.92 1.09 -0.02 -0.82 121.20 127.76 1box s ILE 71 Ca -0.00 -0.48 -0.03 0.00 -1.10 0.00 0.00 60.65 59.03 1box s ILE 71 Cb -0.13 -2.53 -0.04 0.00 -1.06 0.00 0.00 42.46 38.69 1box s ILE 71 CO 0.03 0.52 0.23 0.42 -0.10 0.00 0.00 174.94 176.04 1box s THR 72 N 0.18 5.36 0.53 2.92 -4.23 0.18 -0.17 115.64 120.41 1box s THR 72 Ca -0.04 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.40 1box s THR 72 Cb -0.14 -3.58 0.03 0.00 1.34 0.00 0.00 72.50 70.15 1box s THR 72 CO 0.04 0.25 0.36 -0.83 -0.54 0.00 0.00 174.62 173.90 1box s GLY 73 N -2.10 2.42 0.35 3.99 0.00 0.17 -1.95 107.32 110.21 1box s GLY 73 Ca 0.31 -1.22 0.19 0.00 0.00 0.00 0.00 44.72 44.00 1box s GLY 73 CO 0.21 -1.96 1.59 0.83 0.00 0.00 0.00 173.10 173.77 1box h GLU 74 N 0.83 0.00 -7.28 2.90 5.08 -1.84 -3.43 114.58 110.84 1box h GLU 74 Ca -0.38 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.48 1box h GLU 74 Cb 1.30 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.64 1box h GLU 74 CO 0.59 0.34 0.36 0.00 -1.00 0.00 0.00 179.01 179.30 1box s ALA 75 N -3.21 2.62 -0.06 3.43 0.00 -1.26 -4.93 121.76 118.35 1box s ALA 75 Ca 0.03 0.24 -0.33 0.00 0.00 0.00 0.00 51.96 51.91 1box s ALA 75 Cb 0.08 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.87 1box s ALA 75 CO 0.70 -1.19 1.90 2.41 0.00 0.00 0.00 175.76 179.58 1box n THR 76 N -2.80 0.61 -2.40 0.00 -1.04 -1.26 -1.73 114.28 105.66 1box n THR 76 Ca 0.08 -0.11 -0.20 0.00 -2.04 0.00 0.00 64.05 61.78 1box n THR 76 Cb 0.53 -1.97 -0.01 0.00 -1.82 0.00 0.00 70.33 67.07 1box n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1box n GLN 77 N 6.77 -1.67 -3.22 -2.82 6.02 -1.26 -4.92 117.38 116.28 1box n GLN 77 Ca 0.22 0.98 -0.45 0.00 -0.01 0.00 0.00 57.00 57.73 1box n GLN 77 Cb 0.32 -5.60 -0.05 0.00 1.02 0.00 0.00 30.24 25.93 1box n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1box s GLU 78 N -5.02 3.02 -0.02 -1.09 2.12 -0.71 -4.87 118.70 112.14 1box s GLU 78 Ca 0.01 -1.44 -0.01 0.00 0.36 0.00 0.00 54.97 53.88 1box s GLU 78 Cb -0.00 -4.25 0.01 0.00 0.26 0.00 0.00 34.13 30.14 1box s GLU 78 CO 0.01 -1.39 0.04 -0.51 -0.54 0.00 0.00 175.26 172.88 1box s ASP 79 N 3.45 -0.03 0.02 -1.70 1.01 -1.26 -0.65 116.67 117.50 1box s ASP 79 Ca 0.08 0.09 0.08 0.00 0.71 0.00 0.00 52.55 53.50 1box s ASP 79 Cb -0.26 0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.72 1box s ASP 79 CO 0.05 -0.03 -0.23 -0.31 0.21 0.00 0.00 175.17 174.87 1box s TYR 80 N 0.16 2.01 -0.09 4.23 2.02 0.76 -0.83 117.35 125.60 1box s TYR 80 Ca -0.01 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 1box s TYR 80 Cb -0.02 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 40.28 1box s TYR 80 CO -0.00 0.06 -0.02 -0.47 -1.57 0.00 0.00 175.55 173.54 1box s TYR 81 N -0.70 3.09 -0.02 2.71 5.04 0.09 -0.84 117.35 126.72 1box s TYR 81 Ca 0.09 0.09 0.05 0.00 -2.44 0.00 0.00 57.07 54.86 1box s TYR 81 Cb -0.09 -1.80 -0.01 0.00 0.35 0.00 0.00 41.96 40.41 1box s TYR 81 CO 0.01 0.37 -0.16 -0.08 -1.34 0.00 0.00 175.55 174.35 1box s THR 82 N -0.69 1.26 -1.58 4.34 -1.32 -0.56 -0.94 115.64 116.15 1box s THR 82 Ca 0.11 -0.66 0.14 0.00 -1.21 0.00 0.00 61.69 60.07 1box s THR 82 Cb -0.12 -1.06 0.07 0.00 -1.51 0.00 0.00 72.50 69.88 1box s THR 82 CO 0.02 0.36 0.88 0.61 -2.21 0.00 0.00 174.62 174.28 1box n GLY 83 N 2.86 -0.05 2.51 6.08 0.00 -1.26 -1.08 105.19 114.25 1box n GLY 83 Ca -0.16 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 1box n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1box n ASP 84 N 0.45 2.96 -3.58 1.61 5.68 -1.22 -4.42 116.55 118.02 1box n ASP 84 Ca 0.07 -2.83 -0.20 0.00 -0.50 0.00 0.00 54.79 51.33 1box n ASP 84 Cb 0.33 -0.44 0.06 0.00 -1.14 0.00 0.00 41.12 39.93 1box n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1box n HIS 85 N -0.56 -2.16 -1.04 2.11 -0.00 -0.12 -3.06 115.22 110.39 1box n HIS 85 Ca 0.22 0.91 -0.01 0.00 -0.00 0.00 0.00 57.72 58.84 1box n HIS 85 Cb 0.85 -4.74 -0.01 0.00 -0.00 0.00 0.00 29.99 26.09 1box n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1box n TYR 86 N -4.31 0.00 0.04 1.57 4.01 -1.26 -4.91 117.16 112.30 1box n TYR 86 Ca -0.24 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.30 1box n TYR 86 Cb 0.65 -0.57 -0.14 0.00 -0.31 0.00 0.00 39.34 38.97 1box n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1box h ALA 87 N 0.00 -0.08 -3.03 -0.72 0.00 -1.96 -3.46 119.26 110.02 1box h ALA 87 Ca -0.03 -0.68 -0.34 0.00 0.00 0.00 0.00 54.91 53.87 1box h ALA 87 Cb 0.13 0.09 -0.20 0.00 0.00 0.00 0.00 17.79 17.82 1box h ALA 87 CO 0.04 0.35 -0.75 0.95 0.00 0.00 0.00 179.25 179.84 1box s THR 88 N -2.41 0.90 0.08 0.00 -4.23 -1.26 -4.90 115.64 103.82 1box s THR 88 Ca -0.14 -1.42 0.04 0.00 -1.18 0.00 0.00 61.69 59.00 1box s THR 88 Cb 0.00 -1.10 -0.03 0.00 1.34 0.00 0.00 72.50 72.71 1box s THR 88 CO 0.82 -0.42 -0.12 -0.36 -0.54 0.00 0.00 174.62 174.00 1box s PHE 89 N -1.86 1.10 0.04 3.99 0.08 -1.26 -4.41 117.98 115.66 1box s PHE 89 Ca -0.00 -0.55 0.05 0.00 0.12 0.00 0.00 56.93 56.55 1box s PHE 89 Cb -0.07 -0.61 -0.02 0.00 -0.57 0.00 0.00 43.02 41.75 1box s PHE 89 CO 0.01 0.03 -0.15 -1.12 -0.10 0.00 0.00 175.22 173.89 1box s SER 90 N -2.06 1.75 0.09 1.36 0.01 -0.12 0.23 113.70 114.96 1box s SER 90 Ca 0.01 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1box s SER 90 Cb -0.07 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.99 1box s SER 90 CO 0.01 0.04 1.05 -0.22 0.41 0.00 0.00 173.24 174.53 1box s LEU 91 N -1.17 4.44 0.00 2.44 2.96 -0.43 -0.73 118.68 126.19 1box s LEU 91 Ca 0.02 1.88 -0.23 0.00 -0.22 0.00 0.00 54.13 55.58 1box s LEU 91 Cb -0.08 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1box s LEU 91 CO 0.01 -0.23 0.67 -0.63 -1.32 0.00 0.00 176.35 174.85 1box s ILE 92 N 0.41 4.87 -0.36 6.68 1.01 -0.01 -0.58 121.20 133.21 1box s ILE 92 Ca 0.51 1.42 -0.08 0.00 0.00 0.00 0.00 60.65 62.50 1box s ILE 92 Cb -0.25 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.25 1box s ILE 92 CO 0.30 0.37 0.16 -0.62 0.00 0.00 0.00 174.94 175.15 1box s ASP 93 N 0.04 5.45 0.00 3.58 -1.08 0.91 -4.70 116.67 120.87 1box s ASP 93 Ca 0.35 -1.22 0.24 0.00 -0.52 0.00 0.00 52.55 51.40 1box s ASP 93 Cb -0.19 -1.92 1.40 0.00 -1.46 0.00 0.00 42.92 40.75 1box s ASP 93 CO 0.19 -0.39 1.82 0.00 0.52 0.00 0.00 175.17 177.31 1box n GLN 94 N 4.86 0.65 -0.09 4.34 6.02 -1.26 -1.21 117.38 130.69 1box n GLN 94 Ca -0.11 0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.01 1box n GLN 94 Cb 0.44 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.44 1box n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1box n THR 95 N -1.08 0.24 -1.10 5.09 -2.24 -1.26 -4.90 114.28 109.04 1box n THR 95 Ca 0.16 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1box n THR 95 Cb 0.11 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1box n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50