#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sar s VAL 2 N 0.00 4.92 -0.35 5.18 1.01 -1.26 -4.57 120.40 125.34 1sar s VAL 2 Ca 0.00 0.99 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 1sar s VAL 2 Cb 0.00 -3.79 0.19 0.00 0.00 0.00 0.00 36.38 32.78 1sar s VAL 2 CO 0.00 0.56 2.18 -1.20 0.00 0.00 0.00 175.10 176.64 1sar n SER 3 N 1.85 6.48 0.00 3.32 7.64 0.19 -5.02 113.62 128.09 1sar n SER 3 Ca -0.12 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.66 1sar n SER 3 Cb 0.52 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1sar n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sar n GLY 4 N 0.45 1.03 3.37 0.23 0.00 -1.26 -4.84 105.19 104.16 1sar n GLY 4 Ca 0.34 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 1sar n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sar s THR 5 N -1.56 2.57 -0.03 2.61 2.01 -1.26 -0.20 115.64 119.78 1sar s THR 5 Ca 0.00 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.14 1sar s THR 5 Cb 0.00 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1sar s THR 5 CO 0.00 0.57 -0.11 0.54 -0.69 0.00 0.00 174.62 174.94 1sar s VAL 6 N -0.39 0.90 0.49 3.82 0.11 -0.28 -4.89 120.40 120.16 1sar s VAL 6 Ca 0.04 -0.43 -0.23 0.00 -2.93 0.00 0.00 61.98 58.43 1sar s VAL 6 Cb -0.12 -0.80 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 1sar s VAL 6 CO 0.02 0.28 1.30 0.00 -3.33 0.00 0.00 175.10 173.36 1sar h LEU 8 N 1.88 1.01 -2.56 0.00 5.85 -0.43 -0.88 115.31 120.17 1sar h LEU 8 Ca -0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1sar h LEU 8 Cb 1.27 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1sar h LEU 8 CO 0.59 0.64 0.00 0.77 -0.34 0.00 0.00 178.44 180.10 1sar h SER 9 N 1.14 0.00 0.29 1.25 4.64 -1.66 -1.26 113.55 117.96 1sar h SER 9 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1sar h SER 9 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1sar h SER 9 CO -0.17 0.00 -0.52 0.00 -0.87 0.00 0.00 176.83 175.27 1sar n ALA 10 N -2.06 3.63 -2.12 5.18 0.00 -0.34 -4.92 120.51 119.89 1sar n ALA 10 Ca -0.02 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 1sar n ALA 10 Cb 0.12 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.56 1sar n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sar s LEU 11 N -2.81 3.50 0.46 0.00 1.43 -0.48 -5.01 118.68 115.78 1sar s LEU 11 Ca 0.15 -0.03 -0.24 0.00 -1.03 0.00 0.00 54.13 52.99 1sar s LEU 11 Cb 0.18 -2.89 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 1sar s LEU 11 CO 0.67 -0.90 1.18 -2.65 0.23 0.00 0.00 176.35 174.88 1sar n PRO 12 N -2.12 1.64 0.17 1.29 -0.02 -1.26 -4.85 135.00 129.85 1sar n PRO 12 Ca 0.05 0.59 0.18 0.00 -2.02 0.00 0.00 63.50 62.31 1sar n PRO 12 Cb 0.59 -2.30 0.80 0.00 -0.02 0.00 0.00 33.50 32.57 1sar n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1sar h PRO 13 N 1.70 0.00 0.00 0.52 0.13 -1.94 0.40 132.00 132.80 1sar h PRO 13 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1sar h PRO 13 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1sar h PRO 13 CO 0.58 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 179.12 1sar h GLU 14 N 0.00 0.00 -0.93 0.86 3.07 -1.88 -0.41 114.58 115.29 1sar h GLU 14 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1sar h GLU 14 Cb 0.74 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.60 1sar h GLU 14 CO -0.00 0.16 0.59 0.00 -1.40 0.00 0.00 179.01 178.36 1sar h ALA 15 N 1.84 1.18 -0.81 3.43 0.00 -0.53 -1.51 119.26 122.86 1sar h ALA 15 Ca -0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1sar h ALA 15 Cb 0.33 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1sar h ALA 15 CO 0.02 0.61 0.52 1.15 0.00 0.00 0.00 179.25 181.55 1sar h THR 16 N 1.27 1.15 -0.33 0.00 2.02 -1.15 -1.94 112.91 113.93 1sar h THR 16 Ca 0.34 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1sar h THR 16 Cb -0.10 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.31 1sar h THR 16 CO -0.07 0.19 0.17 0.44 0.37 0.00 0.00 175.52 176.62 1sar h ASP 17 N 1.03 0.25 -0.13 4.18 3.32 -0.84 -1.23 116.42 123.00 1sar h ASP 17 Ca 0.31 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.40 1sar h ASP 17 Cb -0.03 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1sar h ASP 17 CO -0.10 0.19 0.02 0.74 -1.72 0.00 0.00 179.24 178.37 1sar h THR 18 N 0.35 0.93 -1.00 0.35 2.02 -1.12 0.64 112.91 115.08 1sar h THR 18 Ca 0.14 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.39 1sar h THR 18 Cb 0.04 0.86 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 1sar h THR 18 CO -0.09 0.01 0.64 -0.07 0.37 0.00 0.00 175.52 176.38 1sar h LEU 19 N 0.07 0.97 -0.95 2.58 3.38 -1.08 0.57 115.31 120.86 1sar h LEU 19 Ca 0.06 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1sar h LEU 19 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1sar h LEU 19 CO -0.09 0.56 0.02 0.78 0.09 0.00 0.00 178.44 179.81 1sar h ASN 20 N 1.07 0.76 -0.35 -0.43 2.35 -0.59 -0.13 115.58 118.26 1sar h ASN 20 Ca 0.47 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.96 1sar h ASN 20 Cb 0.36 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1sar h ASN 20 CO -0.23 0.81 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.14 1sar h LEU 21 N 0.75 0.73 -1.35 1.61 3.38 0.95 -2.59 115.31 118.79 1sar h LEU 21 Ca 0.15 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1sar h LEU 21 Cb 0.42 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1sar h LEU 21 CO 0.02 0.97 0.44 0.40 0.09 0.00 0.00 178.44 180.35 1sar h ILE 22 N 0.50 1.17 -0.28 1.22 2.04 0.60 0.11 117.51 122.88 1sar h ILE 22 Ca 0.08 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1sar h ILE 22 Cb 0.68 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1sar h ILE 22 CO 0.05 0.17 -0.10 0.00 0.00 0.00 0.00 178.15 178.27 1sar h ALA 23 N 1.58 1.32 -0.01 1.87 0.00 -0.81 -2.58 119.26 120.64 1sar h ALA 23 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sar h ALA 23 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1sar h ALA 23 CO -0.05 0.45 -0.29 -1.13 0.00 0.00 0.00 179.25 178.24 1sar n SER 24 N -4.23 1.41 -3.45 0.00 3.41 -1.00 -4.95 113.62 104.82 1sar n SER 24 Ca 0.01 -1.15 -0.21 0.00 -0.26 0.00 0.00 58.87 57.25 1sar n SER 24 Cb 0.29 0.21 0.08 0.00 -0.26 0.00 0.00 64.21 64.54 1sar n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1sar n ASP 25 N -0.34 -4.56 0.00 4.04 2.03 -0.60 -4.79 116.55 112.33 1sar n ASP 25 Ca 0.12 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.87 1sar n ASP 25 Cb 0.39 -4.94 0.00 0.00 -0.72 0.00 0.00 41.12 35.85 1sar n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sar n GLY 26 N -1.63 -1.73 3.85 0.27 0.00 0.30 -4.87 105.19 101.39 1sar n GLY 26 Ca -0.11 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 1sar n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sar s PRO 27 N 0.00 3.08 0.14 1.61 0.04 -1.26 -4.93 135.00 133.68 1sar s PRO 27 Ca 0.00 0.73 0.06 0.00 0.04 0.00 0.00 61.00 61.83 1sar s PRO 27 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1sar s PRO 27 CO 0.00 -0.93 -0.00 -0.06 0.04 0.00 0.00 177.00 176.04 1sar s PHE 28 N -3.18 2.90 0.38 0.56 0.08 -1.26 -4.99 117.98 112.47 1sar s PHE 28 Ca 0.57 -0.10 0.13 0.00 0.12 0.00 0.00 56.93 57.65 1sar s PHE 28 Cb -0.12 -1.44 0.76 0.00 -0.57 0.00 0.00 43.02 41.65 1sar s PHE 28 CO 0.54 0.50 1.85 -1.00 -0.10 0.00 0.00 175.22 177.00 1sar h PRO 29 N 3.02 0.00 -6.17 0.24 0.13 -1.99 -3.44 132.00 123.78 1sar h PRO 29 Ca -0.47 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 1sar h PRO 29 Cb 1.19 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 1sar h PRO 29 CO 0.58 0.34 -0.76 0.71 -0.23 0.00 0.00 178.00 178.64 1sar s TYR 30 N -4.26 2.74 -0.18 1.56 2.02 -1.26 -5.02 117.35 112.95 1sar s TYR 30 Ca -0.03 -0.21 0.29 0.00 -0.37 0.00 0.00 57.07 56.75 1sar s TYR 30 Cb 0.15 -1.67 1.14 0.00 -0.40 0.00 0.00 41.96 41.18 1sar s TYR 30 CO 0.72 0.14 1.86 0.66 -1.57 0.00 0.00 175.55 177.36 1sar h SER 31 N 5.52 0.00 1.30 2.29 4.64 -2.04 -2.15 113.55 123.12 1sar h SER 31 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1sar h SER 31 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1sar h SER 31 CO 0.51 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 178.03 1sar h GLN 32 N 0.00 0.00 -6.61 4.77 7.50 -1.96 -3.46 115.11 115.35 1sar h GLN 32 Ca 0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 1sar h GLN 32 Cb 0.50 0.00 0.04 0.00 0.05 0.00 0.00 27.48 28.07 1sar h GLN 32 CO 0.00 0.00 0.87 -0.51 -1.50 0.00 0.00 178.83 177.69 1sar s ASP 33 N -5.44 6.60 0.00 1.46 1.01 -0.81 -2.52 116.67 116.97 1sar s ASP 33 Ca 0.04 2.61 0.00 0.00 0.71 0.00 0.00 52.55 55.92 1sar s ASP 33 Cb 0.08 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1sar s ASP 33 CO 0.56 -0.81 0.00 0.61 0.21 0.00 0.00 175.17 175.74 1sar n GLY 34 N 3.62 0.56 3.77 0.21 0.00 0.14 -5.00 105.19 108.49 1sar n GLY 34 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1sar n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sar s VAL 35 N -2.23 3.17 0.27 1.61 -7.23 -1.05 -4.68 120.40 110.26 1sar s VAL 35 Ca 0.00 0.54 -0.29 0.00 -1.81 0.00 0.00 61.98 60.42 1sar s VAL 35 Cb 0.00 -3.06 -0.14 0.00 0.56 0.00 0.00 36.38 33.74 1sar s VAL 35 CO 0.00 -0.34 1.08 0.52 -0.31 0.00 0.00 175.10 176.04 1sar n VAL 36 N -2.50 1.78 -3.60 1.32 0.31 -1.26 -0.34 118.33 114.03 1sar n VAL 36 Ca 0.11 -0.44 -0.38 0.00 -0.01 0.00 0.00 64.34 63.61 1sar n VAL 36 Cb 0.52 -1.05 -0.11 0.00 -0.91 0.00 0.00 33.84 32.30 1sar n VAL 36 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1sar s PHE 37 N -0.87 3.24 -0.43 3.52 5.36 0.44 -4.69 117.98 124.54 1sar s PHE 37 Ca 0.61 0.14 0.26 0.00 -0.96 0.00 0.00 56.93 56.98 1sar s PHE 37 Cb -0.71 -2.36 0.75 0.00 -0.34 0.00 0.00 43.02 40.36 1sar s PHE 37 CO 0.58 -0.12 1.74 1.96 -1.46 0.00 0.00 175.22 177.92 1sar h GLN 38 N 8.21 0.00 -6.13 10.12 4.20 -1.94 -3.38 115.11 126.19 1sar h GLN 38 Ca -0.36 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 57.92 1sar h GLN 38 Cb 1.19 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.00 1sar h GLN 38 CO 0.57 0.00 -0.79 -1.71 -0.67 0.00 0.00 178.83 176.23 1sar n ASN 39 N -2.75 -3.10 0.19 1.46 5.15 -1.26 -4.86 115.26 110.10 1sar n ASN 39 Ca 0.04 -0.77 0.09 0.00 -0.60 0.00 0.00 54.58 53.34 1sar n ASN 39 Cb 0.42 -4.13 0.62 0.00 -0.53 0.00 0.00 39.78 36.16 1sar n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1sar h ARG 40 N -2.03 0.07 -0.16 1.20 2.43 -1.99 -1.31 114.38 112.58 1sar h ARG 40 Ca -0.59 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 1sar h ARG 40 Cb 1.37 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1sar h ARG 40 CO 0.60 0.05 0.00 0.39 -1.51 0.00 0.00 179.97 179.50 1sar n GLU 41 N -4.51 1.75 -3.54 0.20 4.71 -1.26 -4.94 120.64 113.05 1sar n GLU 41 Ca -0.01 -1.12 -0.26 0.00 -0.01 0.00 0.00 57.16 55.76 1sar n GLU 41 Cb 0.15 -1.40 0.02 0.00 -1.01 0.00 0.00 31.44 29.20 1sar n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1sar n SER 42 N 0.35 -4.86 -0.06 1.62 7.64 -0.49 -4.89 113.62 112.91 1sar n SER 42 Ca 0.16 -0.54 -0.14 0.00 1.01 0.00 0.00 58.87 59.36 1sar n SER 42 Cb 0.34 -3.92 -0.06 0.00 -1.01 0.00 0.00 64.21 59.55 1sar n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1sar h VAL 43 N -1.63 1.34 -3.13 0.44 2.07 -1.92 -3.39 116.25 110.02 1sar h VAL 43 Ca -0.52 -1.51 -0.48 0.00 0.82 0.00 0.00 66.70 65.01 1sar h VAL 43 Cb 1.35 1.85 0.03 0.00 -1.52 0.00 0.00 31.29 32.99 1sar h VAL 43 CO 0.60 0.46 -0.03 -0.76 0.02 0.00 0.00 177.57 177.87 1sar s LEU 44 N -8.91 3.71 0.41 2.57 1.43 -1.26 0.67 118.68 117.30 1sar s LEU 44 Ca -0.13 0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 53.30 1sar s LEU 44 Cb 0.07 -3.49 -0.10 0.00 0.03 0.00 0.00 46.19 42.70 1sar s LEU 44 CO 0.80 -0.57 1.29 -2.65 0.23 0.00 0.00 176.35 175.45 1sar n PRO 45 N -2.10 2.02 -1.69 1.29 -0.02 -1.26 -4.87 135.00 128.37 1sar n PRO 45 Ca -0.01 0.72 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 1sar n PRO 45 Cb 0.56 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1sar n PRO 45 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1sar n THR 46 N -0.09 0.36 -4.07 3.45 -1.04 -1.26 -4.99 114.28 106.64 1sar n THR 46 Ca 0.06 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.05 61.90 1sar n THR 46 Cb 0.39 -2.04 -0.08 0.00 -1.82 0.00 0.00 70.33 66.78 1sar n THR 46 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1sar s GLN 47 N 2.74 1.24 0.99 -2.82 -1.52 -1.26 -5.15 119.66 113.88 1sar s GLN 47 Ca 0.83 -1.38 -0.11 0.00 -1.95 0.00 0.00 55.36 52.75 1sar s GLN 47 Cb -0.53 0.35 0.17 0.00 -0.22 0.00 0.00 33.01 32.78 1sar s GLN 47 CO 0.39 -0.45 1.04 -1.13 -0.25 0.00 0.00 175.29 174.90 1sar n SER 48 N -0.26 -0.37 -4.69 5.90 3.41 -1.26 -4.93 113.62 111.42 1sar n SER 48 Ca -0.03 0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 58.43 1sar n SER 48 Cb 0.64 -1.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.16 1sar n SER 48 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1sar s TYR 49 N -2.56 2.09 0.00 7.33 5.04 -1.26 -2.42 117.35 125.56 1sar s TYR 49 Ca 0.66 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.25 1sar s TYR 49 Cb -0.23 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 37.91 1sar s TYR 49 CO 0.61 -4.87 0.00 0.41 -1.34 0.00 0.00 175.55 170.36 1sar n GLY 50 N 4.25 0.13 0.23 8.97 0.00 -1.26 -4.93 105.19 112.58 1sar n GLY 50 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1sar n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sar h TYR 51 N 0.00 0.86 -3.20 1.61 3.20 -1.80 -3.45 116.97 114.19 1sar h TYR 51 Ca 0.00 -0.28 -0.65 0.00 3.14 0.00 0.00 58.73 60.94 1sar h TYR 51 Cb 0.00 -0.17 -0.10 0.00 1.54 0.00 0.00 36.73 37.99 1sar h TYR 51 CO 0.00 1.04 -0.61 0.71 -1.64 0.00 0.00 178.16 177.67 1sar s TYR 52 N -4.16 3.18 0.03 -3.82 2.02 -1.26 -2.51 117.35 110.84 1sar s TYR 52 Ca -0.09 0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 1sar s TYR 52 Cb 0.11 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 1sar s TYR 52 CO 0.86 0.52 -0.05 -1.01 -1.57 0.00 0.00 175.55 174.29 1sar s HIS 53 N -1.26 0.45 0.18 2.71 3.76 -0.82 -0.42 115.29 119.90 1sar s HIS 53 Ca 0.25 -0.54 0.10 0.00 -0.15 0.00 0.00 55.06 54.72 1sar s HIS 53 Cb -0.12 -0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 1sar s HIS 53 CO 0.17 -0.15 -0.22 -1.83 -0.85 0.00 0.00 174.74 171.85 1sar s GLU 54 N -1.63 1.42 -0.01 1.40 -1.05 0.54 -1.41 118.70 117.95 1sar s GLU 54 Ca -0.12 -1.46 -0.01 0.00 -0.15 0.00 0.00 54.97 53.23 1sar s GLU 54 Cb -0.09 -1.68 0.01 0.00 -0.44 0.00 0.00 34.13 31.93 1sar s GLU 54 CO -0.01 0.36 0.02 0.71 0.95 0.00 0.00 175.26 177.30 1sar s TYR 55 N -1.69 -0.01 0.36 4.83 1.51 0.05 0.26 117.35 122.65 1sar s TYR 55 Ca 0.18 0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 56.04 1sar s TYR 55 Cb -0.08 -0.05 -0.09 0.00 -0.11 0.00 0.00 41.96 41.63 1sar s TYR 55 CO 0.08 -0.03 1.23 0.99 -1.11 0.00 0.00 175.55 176.71 1sar s THR 56 N 0.27 2.96 -0.32 -0.71 2.01 -1.26 0.33 115.64 118.92 1sar s THR 56 Ca -0.02 0.89 -0.06 0.00 0.31 0.00 0.00 61.69 62.81 1sar s THR 56 Cb -0.03 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.97 1sar s THR 56 CO -0.01 0.16 0.08 -0.69 -0.69 0.00 0.00 174.62 173.47 1sar s VAL 57 N -1.26 3.77 0.31 3.82 1.01 -0.43 -4.75 120.40 122.87 1sar s VAL 57 Ca 0.52 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1sar s VAL 57 Cb -0.35 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.86 1sar s VAL 57 CO 0.46 -0.07 1.44 -0.63 0.00 0.00 0.00 175.10 176.29 1sar s ILE 58 N 1.43 2.45 -0.35 2.22 1.01 -1.26 -4.25 121.20 122.44 1sar s ILE 58 Ca -0.00 0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.92 1sar s ILE 58 Cb -0.19 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1sar s ILE 58 CO 0.02 0.08 0.30 -0.89 0.00 0.00 0.00 174.94 174.45 1sar s THR 59 N -0.58 5.24 0.31 2.92 2.01 -1.26 -4.80 115.64 119.46 1sar s THR 59 Ca 0.55 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 1sar s THR 59 Cb -0.43 -3.79 -0.11 0.00 0.01 0.00 0.00 72.50 68.18 1sar s THR 59 CO 0.51 -0.09 1.48 -2.16 -0.69 0.00 0.00 174.62 173.67 1sar s PRO 60 N 1.83 4.20 0.00 4.92 0.04 -1.26 -1.66 135.00 143.07 1sar s PRO 60 Ca 0.08 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1sar s PRO 60 Cb -0.17 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1sar s PRO 60 CO 0.11 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1sar n GLY 61 N 1.55 2.96 3.76 0.56 0.00 -1.26 -5.01 105.19 107.75 1sar n GLY 61 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1sar n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sar s ALA 62 N -1.86 3.55 -0.18 4.61 0.00 -0.66 -4.91 121.76 122.31 1sar s ALA 62 Ca 0.00 1.29 0.16 0.00 0.00 0.00 0.00 51.96 53.41 1sar s ALA 62 Cb 0.00 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.65 1sar s ALA 62 CO 0.00 -0.69 1.31 0.00 0.00 0.00 0.00 175.76 176.39 1sar h ARG 63 N 4.17 0.00 0.00 0.00 3.08 -1.95 -3.47 114.38 116.20 1sar h ARG 63 Ca -0.48 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.34 1sar h ARG 63 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1sar h ARG 63 CO 0.71 0.39 -0.12 0.25 -1.07 0.00 0.00 179.97 180.12 1sar n THR 64 N -3.12 0.00 0.30 2.04 -2.24 -1.26 -4.99 114.28 105.01 1sar n THR 64 Ca -0.00 -0.88 0.18 0.00 -2.27 0.00 0.00 64.05 61.07 1sar n THR 64 Cb 0.73 -0.24 0.78 0.00 -2.10 0.00 0.00 70.33 69.50 1sar n THR 64 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1sar h ARG 65 N 0.00 0.00 0.00 -0.78 3.08 -1.98 -3.45 114.38 111.24 1sar h ARG 65 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1sar h ARG 65 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1sar h ARG 65 CO 0.23 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.54 1sar n GLY 66 N -0.23 -0.19 0.55 0.04 0.00 -1.26 -4.39 105.19 99.71 1sar n GLY 66 Ca -0.00 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 45.07 1sar n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sar n THR 67 N 0.00 0.00 -4.29 2.61 -2.24 -1.26 -4.95 114.28 104.15 1sar n THR 67 Ca 0.00 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 1sar n THR 67 Cb 0.00 1.29 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 1sar n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sar s ARG 68 N -1.27 3.12 0.06 -0.78 0.52 -1.26 -1.17 118.95 118.16 1sar s ARG 68 Ca 0.16 -0.37 -0.13 0.00 -0.52 0.00 0.00 55.73 54.87 1sar s ARG 68 Cb 0.12 -2.87 0.02 0.00 0.52 0.00 0.00 34.95 32.74 1sar s ARG 68 CO 0.20 0.67 0.30 1.03 0.02 0.00 0.00 175.30 177.52 1sar s ARG 69 N -0.78 0.84 -0.12 3.54 1.81 0.35 -1.32 118.95 123.27 1sar s ARG 69 Ca 0.12 -0.57 0.01 0.00 -1.72 0.00 0.00 55.73 53.58 1sar s ARG 69 Cb -0.12 0.36 -0.01 0.00 -0.45 0.00 0.00 34.95 34.74 1sar s ARG 69 CO 0.02 -0.28 -0.17 0.42 -0.68 0.00 0.00 175.30 174.62 1sar s ILE 70 N -2.80 2.67 -0.23 1.52 1.01 0.15 -0.99 121.20 122.52 1sar s ILE 70 Ca -0.03 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 1sar s ILE 70 Cb 0.00 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1sar s ILE 70 CO -0.05 0.54 -0.00 -0.63 0.00 0.00 0.00 174.94 174.80 1sar s ILE 71 N 0.35 3.70 0.04 2.92 -1.09 0.26 -0.77 121.20 126.61 1sar s ILE 71 Ca -0.14 -0.38 -0.07 0.00 -2.23 0.00 0.00 60.65 57.83 1sar s ILE 71 Cb -0.17 -2.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 1sar s ILE 71 CO 0.07 0.39 0.31 0.00 -1.23 0.00 0.00 174.94 174.48 1sar s GLY 73 N -1.79 1.56 0.54 0.00 0.00 -0.14 -1.94 107.32 105.55 1sar s GLY 73 Ca 0.30 -1.49 0.31 0.00 0.00 0.00 0.00 44.72 43.84 1sar s GLY 73 CO 0.17 -1.46 2.05 -2.09 0.00 0.00 0.00 173.10 171.77 1sar h GLU 74 N 1.24 0.00 -7.15 2.90 4.57 -1.78 -3.42 114.58 110.94 1sar h GLU 74 Ca -0.47 0.00 -0.51 0.00 -1.18 0.00 0.00 59.36 57.20 1sar h GLU 74 Cb 1.25 0.00 0.10 0.00 -0.16 0.00 0.00 28.75 29.94 1sar h GLU 74 CO 0.58 0.09 0.40 0.00 -1.18 0.00 0.00 179.01 178.90 1sar s ALA 75 N -3.94 2.49 -0.03 2.92 0.00 -1.26 -4.93 121.76 117.02 1sar s ALA 75 Ca -0.01 0.72 -0.36 0.00 0.00 0.00 0.00 51.96 52.31 1sar s ALA 75 Cb 0.11 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.73 1sar s ALA 75 CO 0.56 -1.20 1.69 2.41 0.00 0.00 0.00 175.76 179.22 1sar n THR 76 N -2.05 0.29 -1.57 0.00 -1.04 -1.26 -1.37 114.28 107.28 1sar n THR 76 Ca 0.11 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.88 1sar n THR 76 Cb 0.51 -1.50 -0.08 0.00 -1.82 0.00 0.00 70.33 67.44 1sar n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sar n GLN 77 N 4.91 -1.46 -2.93 -2.82 1.13 -1.26 -4.94 117.38 110.01 1sar n GLN 77 Ca 0.21 1.19 -0.43 0.00 -1.94 0.00 0.00 57.00 56.03 1sar n GLN 77 Cb 0.24 -5.57 -0.04 0.00 0.11 0.00 0.00 30.24 24.98 1sar n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1sar s GLU 78 N -3.65 3.18 -0.05 -1.09 2.12 -0.47 -4.85 118.70 113.88 1sar s GLU 78 Ca 0.00 -0.69 -0.03 0.00 0.36 0.00 0.00 54.97 54.61 1sar s GLU 78 Cb 0.00 -4.15 0.03 0.00 0.26 0.00 0.00 34.13 30.27 1sar s GLU 78 CO 0.00 -1.56 0.11 -0.51 -0.54 0.00 0.00 175.26 172.76 1sar s ASP 79 N 3.19 -0.09 -0.01 -1.70 1.01 -1.26 -0.97 116.67 116.85 1sar s ASP 79 Ca 0.23 0.23 0.07 0.00 0.71 0.00 0.00 52.55 53.78 1sar s ASP 79 Cb -0.16 0.16 -0.03 0.00 1.01 0.00 0.00 42.92 43.90 1sar s ASP 79 CO 0.13 -0.10 -0.21 -0.31 0.21 0.00 0.00 175.17 174.89 1sar s TYR 80 N 0.69 2.48 -0.13 4.23 2.02 0.15 -0.32 117.35 126.47 1sar s TYR 80 Ca -0.05 -0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 56.28 1sar s TYR 80 Cb -0.07 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1sar s TYR 80 CO -0.03 0.11 0.04 -0.47 -1.57 0.00 0.00 175.55 173.63 1sar s TYR 81 N -0.73 3.24 -0.07 2.71 5.04 0.90 -0.57 117.35 127.87 1sar s TYR 81 Ca 0.12 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.91 1sar s TYR 81 Cb -0.10 -1.93 0.01 0.00 0.35 0.00 0.00 41.96 40.29 1sar s TYR 81 CO 0.01 0.34 -0.12 -0.08 -1.34 0.00 0.00 175.55 174.36 1sar s THR 82 N -0.32 1.15 -1.25 4.34 -1.32 -0.16 -1.19 115.64 116.89 1sar s THR 82 Ca 0.08 -0.48 0.11 0.00 -1.21 0.00 0.00 61.69 60.18 1sar s THR 82 Cb -0.12 -1.06 0.14 0.00 -1.51 0.00 0.00 72.50 69.95 1sar s THR 82 CO 0.02 0.36 0.95 0.61 -2.21 0.00 0.00 174.62 174.35 1sar n GLY 83 N 3.87 0.43 1.91 6.08 0.00 -1.26 -0.50 105.19 115.71 1sar n GLY 83 Ca -0.22 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1sar n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sar n ASP 84 N 0.58 3.14 -3.49 1.61 5.68 -1.22 -4.48 116.55 118.37 1sar n ASP 84 Ca 0.08 -3.19 -0.22 0.00 -0.50 0.00 0.00 54.79 50.96 1sar n ASP 84 Cb 0.31 -0.41 0.06 0.00 -1.14 0.00 0.00 41.12 39.94 1sar n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1sar n HIS 85 N -0.64 -2.16 -1.01 2.11 -0.00 -0.32 -2.39 115.22 110.80 1sar n HIS 85 Ca 0.27 0.73 -0.00 0.00 -0.00 0.00 0.00 57.72 58.71 1sar n HIS 85 Cb 0.89 -4.04 -0.00 0.00 -0.00 0.00 0.00 29.99 26.84 1sar n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1sar n TYR 86 N -3.81 0.00 0.15 1.57 4.01 -1.26 -4.90 117.16 112.91 1sar n TYR 86 Ca -0.14 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.46 1sar n TYR 86 Cb 0.63 -0.99 -0.08 0.00 -0.31 0.00 0.00 39.34 38.59 1sar n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sar h ALA 87 N 0.00 -0.35 -2.20 -0.72 0.00 -1.88 -3.46 119.26 110.65 1sar h ALA 87 Ca -0.01 -0.15 -0.47 0.00 0.00 0.00 0.00 54.91 54.28 1sar h ALA 87 Cb 0.48 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1sar h ALA 87 CO 0.01 -0.59 -0.73 0.95 0.00 0.00 0.00 179.25 178.89 1sar s THR 88 N -5.26 1.81 -0.01 0.00 -4.23 -1.26 -5.04 115.64 101.65 1sar s THR 88 Ca -0.15 -2.22 -0.04 0.00 -1.18 0.00 0.00 61.69 58.10 1sar s THR 88 Cb 0.03 -2.13 -0.00 0.00 1.34 0.00 0.00 72.50 71.74 1sar s THR 88 CO 0.60 -0.53 0.07 -0.36 -0.54 0.00 0.00 174.62 173.87 1sar s PHE 89 N -2.92 0.03 0.03 3.99 0.40 -1.26 -4.40 117.98 113.84 1sar s PHE 89 Ca 0.24 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.58 1sar s PHE 89 Cb -0.01 -0.04 -0.02 0.00 0.51 0.00 0.00 43.02 43.46 1sar s PHE 89 CO 0.08 -0.15 -0.19 -1.12 0.70 0.00 0.00 175.22 174.55 1sar s SER 90 N -0.73 2.23 0.19 1.36 0.01 -0.34 0.57 113.70 116.98 1sar s SER 90 Ca -0.08 -0.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.44 1sar s SER 90 Cb -0.05 -0.19 -0.08 0.00 0.21 0.00 0.00 66.02 65.91 1sar s SER 90 CO 0.00 0.15 0.85 -0.22 0.41 0.00 0.00 173.24 174.43 1sar s LEU 91 N -1.02 4.61 -0.12 2.44 0.20 0.72 -0.07 118.68 125.44 1sar s LEU 91 Ca 0.06 1.78 -0.19 0.00 0.69 0.00 0.00 54.13 56.47 1sar s LEU 91 Cb -0.08 -3.44 -0.04 0.00 -0.43 0.00 0.00 46.19 42.20 1sar s LEU 91 CO 0.01 0.17 0.51 -0.63 -0.29 0.00 0.00 176.35 176.12 1sar s ILE 92 N -1.09 5.16 -0.41 6.68 1.01 0.57 -1.13 121.20 131.99 1sar s ILE 92 Ca 0.38 1.00 -0.15 0.00 0.00 0.00 0.00 60.65 61.89 1sar s ILE 92 Cb -0.24 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.41 1sar s ILE 92 CO 0.29 0.30 0.30 -0.62 0.00 0.00 0.00 174.94 175.20 1sar s ASP 93 N 0.72 6.08 0.00 3.58 -1.08 0.45 -4.63 116.67 121.78 1sar s ASP 93 Ca 0.27 -0.95 0.30 0.00 -0.52 0.00 0.00 52.55 51.65 1sar s ASP 93 Cb -0.15 -2.15 1.50 0.00 -1.46 0.00 0.00 42.92 40.65 1sar s ASP 93 CO 0.11 -0.46 2.03 0.00 0.52 0.00 0.00 175.17 177.37 1sar n GLN 94 N 5.15 0.49 0.00 4.34 6.02 -1.26 -0.77 117.38 131.35 1sar n GLN 94 Ca -0.11 -0.03 0.14 0.00 -0.01 0.00 0.00 57.00 56.98 1sar n GLN 94 Cb 0.47 -1.50 0.55 0.00 1.02 0.00 0.00 30.24 30.78 1sar n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1sar n THR 95 N -1.22 0.00 -1.23 5.09 -2.24 -1.26 -4.88 114.28 108.53 1sar n THR 95 Ca 0.15 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1sar n THR 95 Cb 0.24 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1sar n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50