#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmq s VAL 2 N 0.00 5.40 0.20 2.53 1.01 -1.26 -4.54 120.40 123.74 1gmq s VAL 2 Ca 0.00 0.35 0.17 0.00 0.00 0.00 0.00 61.98 62.50 1gmq s VAL 2 Cb 0.00 -3.47 0.10 0.00 0.00 0.00 0.00 36.38 33.01 1gmq s VAL 2 CO 0.00 0.61 1.72 0.28 0.00 0.00 0.00 175.10 177.70 1gmq h SER 3 N 4.97 0.00 -0.79 3.32 0.02 -0.99 -3.50 113.55 116.59 1gmq h SER 3 Ca -0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1gmq h SER 3 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1gmq h SER 3 CO 0.59 0.42 0.00 0.61 -1.14 0.00 0.00 176.83 177.31 1gmq n GLY 4 N 0.20 -0.28 3.57 -3.77 0.00 -1.26 -5.04 105.19 98.61 1gmq n GLY 4 Ca -0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1gmq n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gmq s THR 5 N -2.80 3.41 -0.01 2.61 2.01 -1.26 -0.85 115.64 118.74 1gmq s THR 5 Ca 0.00 -1.13 0.02 0.00 0.31 0.00 0.00 61.69 60.89 1gmq s THR 5 Cb 0.00 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.96 1gmq s THR 5 CO 0.00 0.20 -0.06 0.54 -0.69 0.00 0.00 174.62 174.61 1gmq s VAL 6 N -1.14 0.51 0.40 3.82 0.11 0.31 -4.88 120.40 119.54 1gmq s VAL 6 Ca 0.20 -0.24 -0.25 0.00 -2.93 0.00 0.00 61.98 58.76 1gmq s VAL 6 Cb -0.11 -0.46 -0.08 0.00 -1.53 0.00 0.00 36.38 34.20 1gmq s VAL 6 CO 0.12 0.16 1.22 0.00 -3.33 0.00 0.00 175.10 173.27 1gmq h LEU 8 N 2.63 0.81 -1.72 0.00 5.85 -0.59 0.37 115.31 122.65 1gmq h LEU 8 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1gmq h LEU 8 Cb 1.24 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1gmq h LEU 8 CO 0.62 0.50 0.00 0.77 -0.34 0.00 0.00 178.44 179.99 1gmq h SER 9 N 0.91 0.00 0.33 1.25 4.64 -1.63 -1.42 113.55 117.63 1gmq h SER 9 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1gmq h SER 9 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1gmq h SER 9 CO -0.16 0.00 -0.32 0.00 -0.87 0.00 0.00 176.83 175.48 1gmq n ALA 10 N -1.94 3.21 -2.04 5.18 0.00 0.11 -4.91 120.51 120.12 1gmq n ALA 10 Ca -0.01 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 52.86 1gmq n ALA 10 Cb 0.15 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.49 1gmq n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gmq s LEU 11 N -2.66 3.48 0.62 0.00 1.43 -0.54 -5.00 118.68 116.02 1gmq s LEU 11 Ca 0.20 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 52.95 1gmq s LEU 11 Cb 0.19 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 1gmq s LEU 11 CO 0.57 -0.93 1.25 -2.65 0.23 0.00 0.00 176.35 174.83 1gmq n PRO 12 N -2.10 1.18 0.16 1.29 -0.02 -1.26 -4.87 135.00 129.39 1gmq n PRO 12 Ca 0.07 0.46 0.14 0.00 -2.02 0.00 0.00 63.50 62.15 1gmq n PRO 12 Cb 0.59 -2.48 0.70 0.00 -0.02 0.00 0.00 33.50 32.29 1gmq n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1gmq h PRO 13 N 0.69 0.00 0.00 0.52 0.13 -1.95 0.17 132.00 131.56 1gmq h PRO 13 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1gmq h PRO 13 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1gmq h PRO 13 CO 0.53 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.20 1gmq h GLU 14 N 0.00 0.00 -0.31 0.86 3.07 -1.89 -0.31 114.58 115.99 1gmq h GLU 14 Ca 0.10 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.85 1gmq h GLU 14 Cb 0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1gmq h GLU 14 CO -0.00 0.04 -0.27 0.00 -1.40 0.00 0.00 179.01 177.38 1gmq h ALA 15 N 1.96 0.95 -0.83 3.43 0.00 -0.99 -1.21 119.26 122.57 1gmq h ALA 15 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1gmq h ALA 15 Cb 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1gmq h ALA 15 CO 0.00 0.61 0.36 1.15 0.00 0.00 0.00 179.25 181.38 1gmq h THR 16 N 0.55 1.26 -0.25 0.00 2.02 -1.17 -1.84 112.91 113.49 1gmq h THR 16 Ca 0.07 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1gmq h THR 16 Cb 0.74 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1gmq h THR 16 CO 0.06 0.33 0.16 0.44 0.37 0.00 0.00 175.52 176.88 1gmq h ASP 17 N 1.19 0.28 -0.43 4.18 3.32 -1.03 -1.06 116.42 122.86 1gmq h ASP 17 Ca 0.28 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1gmq h ASP 17 Cb 0.17 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1gmq h ASP 17 CO -0.03 0.20 0.24 0.74 -1.72 0.00 0.00 179.24 178.67 1gmq h THR 18 N 0.33 1.16 -0.97 0.35 2.02 -1.01 -1.86 112.91 112.93 1gmq h THR 18 Ca 0.09 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.89 1gmq h THR 18 Cb -0.04 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 1gmq h THR 18 CO -0.02 0.16 0.64 -0.07 0.37 0.00 0.00 175.52 176.60 1gmq h LEU 19 N 0.56 1.09 -1.11 2.58 3.38 -1.07 0.20 115.31 120.93 1gmq h LEU 19 Ca 0.15 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1gmq h LEU 19 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1gmq h LEU 19 CO -0.02 0.77 0.24 0.78 0.09 0.00 0.00 178.44 180.29 1gmq h ASN 20 N 1.28 0.79 -0.48 -0.43 2.35 -0.86 0.14 115.58 118.36 1gmq h ASN 20 Ca 0.37 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.88 1gmq h ASN 20 Cb -0.09 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1gmq h ASN 20 CO -0.10 0.71 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.11 1gmq h LEU 21 N 0.85 1.03 -0.74 1.61 3.38 -0.51 -2.45 115.31 118.49 1gmq h LEU 21 Ca 0.20 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1gmq h LEU 21 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1gmq h LEU 21 CO -0.02 1.19 0.31 0.40 0.09 0.00 0.00 178.44 180.41 1gmq h ILE 22 N 0.86 1.25 0.00 1.22 2.04 -0.09 0.13 117.51 122.93 1gmq h ILE 22 Ca 0.11 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1gmq h ILE 22 Cb 0.80 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1gmq h ILE 22 CO 0.07 0.31 -0.15 0.00 0.00 0.00 0.00 178.15 178.38 1gmq h ALA 23 N 1.15 1.73 -0.30 1.87 0.00 -0.68 -1.85 119.26 121.18 1gmq h ALA 23 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gmq h ALA 23 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1gmq h ALA 23 CO -0.02 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 1gmq n SER 24 N -4.33 3.32 -3.32 0.00 3.41 -0.94 -4.95 113.62 106.80 1gmq n SER 24 Ca -0.03 -1.99 -0.22 0.00 -0.26 0.00 0.00 58.87 56.38 1gmq n SER 24 Cb 0.22 -0.19 0.07 0.00 -0.26 0.00 0.00 64.21 64.05 1gmq n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1gmq n ASP 25 N 1.43 -6.02 0.00 4.04 8.00 -0.25 -4.77 116.55 118.99 1gmq n ASP 25 Ca 0.18 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1gmq n ASP 25 Cb 0.60 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 1gmq n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gmq n GLY 26 N -1.88 -1.71 3.77 0.44 0.00 0.30 -4.85 105.19 101.26 1gmq n GLY 26 Ca 0.01 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 1gmq n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gmq s PRO 27 N 0.00 2.30 0.11 1.61 0.04 -1.26 -4.93 135.00 132.87 1gmq s PRO 27 Ca 0.00 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.25 1gmq s PRO 27 Cb 0.00 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1gmq s PRO 27 CO 0.00 -1.61 -0.07 -0.06 0.04 0.00 0.00 177.00 175.30 1gmq s PHE 28 N -2.92 2.81 0.32 0.56 0.08 -1.26 -4.98 117.98 112.59 1gmq s PHE 28 Ca 0.61 -0.12 0.11 0.00 0.12 0.00 0.00 56.93 57.65 1gmq s PHE 28 Cb -0.17 -1.45 0.53 0.00 -0.57 0.00 0.00 43.02 41.36 1gmq s PHE 28 CO 0.56 0.45 1.72 -1.00 -0.10 0.00 0.00 175.22 176.85 1gmq h PRO 29 N 3.49 0.02 -6.31 0.24 0.13 -1.99 -3.45 132.00 124.13 1gmq h PRO 29 Ca -0.48 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 63.95 1gmq h PRO 29 Cb 1.17 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.11 1gmq h PRO 29 CO 0.54 0.51 -0.73 0.71 -0.23 0.00 0.00 178.00 178.81 1gmq s TYR 30 N -3.92 2.82 0.08 1.56 2.02 -1.26 -5.01 117.35 113.64 1gmq s TYR 30 Ca -0.02 -0.08 0.33 0.00 -0.37 0.00 0.00 57.07 56.93 1gmq s TYR 30 Cb 0.14 -1.61 1.31 0.00 -0.40 0.00 0.00 41.96 41.39 1gmq s TYR 30 CO 0.75 0.32 1.96 0.66 -1.57 0.00 0.00 175.55 177.67 1gmq h SER 31 N 4.74 0.00 1.18 2.29 4.64 -2.04 -2.26 113.55 122.10 1gmq h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1gmq h SER 31 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1gmq h SER 31 CO 0.52 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 1gmq n GLN 32 N -3.10 0.22 -1.97 4.77 3.00 -1.26 -4.83 117.38 114.21 1gmq n GLN 32 Ca 0.01 0.28 -0.42 0.00 -0.01 0.00 0.00 57.00 56.85 1gmq n GLN 32 Cb 0.32 -1.81 -0.03 0.00 0.00 0.00 0.00 30.24 28.72 1gmq n GLN 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1gmq s ASP 33 N -4.33 6.63 0.00 1.08 1.01 -0.85 -2.41 116.67 117.79 1gmq s ASP 33 Ca 0.08 2.54 0.00 0.00 0.71 0.00 0.00 52.55 55.88 1gmq s ASP 33 Cb 0.12 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1gmq s ASP 33 CO 0.52 -0.81 0.00 0.61 0.21 0.00 0.00 175.17 175.69 1gmq n GLY 34 N 3.77 0.50 3.76 0.21 0.00 0.94 -5.01 105.19 109.36 1gmq n GLY 34 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1gmq n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gmq s VAL 35 N -2.21 3.03 0.30 1.61 -7.23 -1.01 -4.67 120.40 110.22 1gmq s VAL 35 Ca 0.00 0.33 -0.29 0.00 -1.81 0.00 0.00 61.98 60.21 1gmq s VAL 35 Cb 0.00 -2.89 -0.10 0.00 0.56 0.00 0.00 36.38 33.95 1gmq s VAL 35 CO 0.00 -0.44 1.35 -0.69 -0.31 0.00 0.00 175.10 175.01 1gmq s VAL 36 N -2.98 2.72 -0.31 1.32 1.01 -1.26 -0.94 120.40 119.97 1gmq s VAL 36 Ca 0.62 0.68 -0.14 0.00 0.00 0.00 0.00 61.98 63.14 1gmq s VAL 36 Cb -0.17 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1gmq s VAL 36 CO 0.56 0.14 0.30 0.12 0.00 0.00 0.00 175.10 176.22 1gmq s PHE 37 N -0.69 3.22 -0.44 5.22 5.36 0.01 -4.73 117.98 125.93 1gmq s PHE 37 Ca 0.53 0.10 0.26 0.00 -0.96 0.00 0.00 56.93 56.86 1gmq s PHE 37 Cb -0.40 -2.54 0.86 0.00 -0.34 0.00 0.00 43.02 40.60 1gmq s PHE 37 CO 0.49 -0.30 1.77 1.96 -1.46 0.00 0.00 175.22 177.68 1gmq h GLN 38 N 8.37 0.00 -6.13 10.12 4.20 -1.94 -3.39 115.11 126.33 1gmq h GLN 38 Ca -0.32 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 57.95 1gmq h GLN 38 Cb 1.16 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.97 1gmq h GLN 38 CO 0.63 0.00 -0.76 -1.71 -0.67 0.00 0.00 178.83 176.32 1gmq n ASN 39 N -2.61 -3.95 -0.02 1.46 5.15 -1.26 -4.84 115.26 109.20 1gmq n ASN 39 Ca 0.03 -0.74 0.06 0.00 -0.60 0.00 0.00 54.58 53.33 1gmq n ASN 39 Cb 0.37 -4.20 0.44 0.00 -0.53 0.00 0.00 39.78 35.86 1gmq n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1gmq h ARG 40 N -2.13 0.51 -0.08 1.20 2.43 -1.99 -1.84 114.38 112.48 1gmq h ARG 40 Ca -0.59 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1gmq h ARG 40 Cb 1.37 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1gmq h ARG 40 CO 0.61 0.34 0.00 0.39 -1.51 0.00 0.00 179.97 179.80 1gmq n GLU 41 N -4.48 1.57 -3.55 0.20 4.71 -1.26 -4.94 120.64 112.90 1gmq n GLU 41 Ca 0.05 -0.85 -0.26 0.00 -0.01 0.00 0.00 57.16 56.09 1gmq n GLU 41 Cb 0.13 -1.43 0.03 0.00 -1.01 0.00 0.00 31.44 29.17 1gmq n GLU 41 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1gmq n SER 42 N 0.05 -5.21 -0.05 1.62 2.88 -0.69 -4.91 113.62 107.31 1gmq n SER 42 Ca 0.18 -0.55 -0.16 0.00 -1.33 0.00 0.00 58.87 57.00 1gmq n SER 42 Cb 0.30 -4.18 -0.06 0.00 -0.75 0.00 0.00 64.21 59.52 1gmq n SER 42 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1gmq h VAL 43 N -1.83 1.28 -2.77 2.46 2.07 -1.92 -3.40 116.25 112.14 1gmq h VAL 43 Ca -0.54 -1.85 -0.46 0.00 0.82 0.00 0.00 66.70 64.67 1gmq h VAL 43 Cb 1.36 1.84 0.03 0.00 -1.52 0.00 0.00 31.29 33.00 1gmq h VAL 43 CO 0.60 0.59 -0.09 -0.76 0.02 0.00 0.00 177.57 177.94 1gmq s LEU 44 N -8.56 3.65 0.45 2.57 1.43 -1.26 0.11 118.68 117.07 1gmq s LEU 44 Ca -0.11 0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 53.06 1gmq s LEU 44 Cb 0.09 -3.19 -0.09 0.00 0.03 0.00 0.00 46.19 43.04 1gmq s LEU 44 CO 0.89 -0.70 1.22 -2.65 0.23 0.00 0.00 176.35 175.35 1gmq n PRO 45 N -2.09 1.73 -1.82 1.29 -0.02 -1.26 -4.87 135.00 127.97 1gmq n PRO 45 Ca 0.01 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 1gmq n PRO 45 Cb 0.58 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1gmq n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1gmq s THR 46 N -1.25 2.70 0.16 3.45 2.01 -1.26 -4.99 115.64 116.46 1gmq s THR 46 Ca 0.64 0.26 -0.05 0.00 0.31 0.00 0.00 61.69 62.85 1gmq s THR 46 Cb -0.49 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1gmq s THR 46 CO 0.56 0.00 0.17 -1.10 -0.69 0.00 0.00 174.62 173.56 1gmq s GLN 47 N 2.43 1.07 0.95 4.92 -1.52 -1.26 -5.15 119.66 121.10 1gmq s GLN 47 Ca 0.77 -1.35 -0.11 0.00 -1.95 0.00 0.00 55.36 52.72 1gmq s GLN 47 Cb -0.44 0.31 0.16 0.00 -0.22 0.00 0.00 33.01 32.82 1gmq s GLN 47 CO 0.34 -0.35 1.10 -1.54 -0.25 0.00 0.00 175.29 174.59 1gmq s SER 48 N -3.03 2.77 0.09 5.90 1.04 -1.26 -4.91 113.70 114.30 1gmq s SER 48 Ca 0.23 1.85 -0.31 0.00 0.48 0.00 0.00 55.95 58.20 1gmq s SER 48 Cb 0.05 -2.42 -0.09 0.00 0.10 0.00 0.00 66.02 63.66 1gmq s SER 48 CO 0.03 -3.14 1.77 -0.47 0.98 0.00 0.00 173.24 172.41 1gmq s TYR 49 N -2.69 2.18 0.00 5.02 5.04 -1.26 -2.17 117.35 123.47 1gmq s TYR 49 Ca 0.66 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 1gmq s TYR 49 Cb -0.22 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.00 1gmq s TYR 49 CO 0.59 -4.53 0.00 0.41 -1.34 0.00 0.00 175.55 170.68 1gmq n GLY 50 N 4.17 0.21 0.24 8.97 0.00 -1.26 -4.94 105.19 112.57 1gmq n GLY 50 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 1gmq n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gmq h TYR 51 N 0.00 0.64 -3.28 1.61 3.20 -1.77 -3.44 116.97 113.94 1gmq h TYR 51 Ca 0.00 -0.16 -0.67 0.00 3.14 0.00 0.00 58.73 61.05 1gmq h TYR 51 Cb 0.00 -0.15 -0.13 0.00 1.54 0.00 0.00 36.73 37.99 1gmq h TYR 51 CO 0.00 0.81 -0.62 0.71 -1.64 0.00 0.00 178.16 177.42 1gmq s TYR 52 N -4.40 3.15 0.06 -3.82 2.02 -1.26 -2.55 117.35 110.55 1gmq s TYR 52 Ca -0.07 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.79 1gmq s TYR 52 Cb 0.13 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 1gmq s TYR 52 CO 0.81 0.49 -0.09 -1.01 -1.57 0.00 0.00 175.55 174.18 1gmq s HIS 53 N -1.08 0.85 0.14 2.71 3.76 -0.83 -0.81 115.29 120.04 1gmq s HIS 53 Ca 0.19 -0.58 0.11 0.00 -0.15 0.00 0.00 55.06 54.63 1gmq s HIS 53 Cb -0.12 -0.49 -0.04 0.00 1.11 0.00 0.00 32.58 33.04 1gmq s HIS 53 CO 0.10 -0.06 -0.25 -1.83 -0.85 0.00 0.00 174.74 171.85 1gmq s GLU 54 N -2.15 1.49 0.01 1.40 -1.05 -0.11 -0.97 118.70 117.32 1gmq s GLU 54 Ca -0.03 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.44 1gmq s GLU 54 Cb -0.06 -1.93 -0.01 0.00 -0.44 0.00 0.00 34.13 31.69 1gmq s GLU 54 CO -0.00 0.45 -0.01 0.71 0.95 0.00 0.00 175.26 177.35 1gmq s TYR 55 N -1.20 0.10 0.30 4.83 1.51 0.47 -0.04 117.35 123.33 1gmq s TYR 55 Ca 0.16 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.79 1gmq s TYR 55 Cb -0.10 -0.07 -0.10 0.00 -0.11 0.00 0.00 41.96 41.58 1gmq s TYR 55 CO 0.07 -0.05 1.15 0.99 -1.11 0.00 0.00 175.55 176.61 1gmq s THR 56 N -0.40 3.27 -0.30 -0.71 2.01 -1.26 -0.51 115.64 117.75 1gmq s THR 56 Ca -0.04 1.26 -0.05 0.00 0.31 0.00 0.00 61.69 63.17 1gmq s THR 56 Cb -0.03 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1gmq s THR 56 CO -0.00 0.29 0.06 -0.69 -0.69 0.00 0.00 174.62 173.58 1gmq s VAL 57 N -1.18 3.63 0.31 3.82 1.01 -0.70 -4.77 120.40 122.52 1gmq s VAL 57 Ca 0.47 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1gmq s VAL 57 Cb -0.34 -2.94 -0.11 0.00 0.00 0.00 0.00 36.38 33.00 1gmq s VAL 57 CO 0.44 0.01 1.44 -0.63 0.00 0.00 0.00 175.10 176.36 1gmq s ILE 58 N 1.42 2.41 -0.31 2.22 1.01 -1.26 -4.31 121.20 122.38 1gmq s ILE 58 Ca 0.00 0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.92 1gmq s ILE 58 Cb -0.18 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1gmq s ILE 58 CO 0.01 0.08 0.20 -0.89 0.00 0.00 0.00 174.94 174.33 1gmq s THR 59 N -0.59 5.06 0.15 2.92 2.01 -1.26 -4.80 115.64 119.13 1gmq s THR 59 Ca 0.56 -0.16 -0.34 0.00 0.31 0.00 0.00 61.69 62.05 1gmq s THR 59 Cb -0.44 -3.53 -0.14 0.00 0.01 0.00 0.00 72.50 68.40 1gmq s THR 59 CO 0.52 0.10 1.54 -2.65 -0.69 0.00 0.00 174.62 173.44 1gmq n PRO 60 N 5.05 2.02 0.00 4.92 -0.02 -1.26 -1.80 135.00 143.92 1gmq n PRO 60 Ca -0.13 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1gmq n PRO 60 Cb 0.50 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1gmq n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gmq n GLY 61 N 3.27 2.46 3.77 -1.23 0.00 -1.26 -5.02 105.19 107.18 1gmq n GLY 61 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1gmq n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gmq s ALA 62 N -2.24 3.34 -0.30 4.61 0.00 -0.74 -4.92 121.76 121.51 1gmq s ALA 62 Ca 0.00 0.97 0.20 0.00 0.00 0.00 0.00 51.96 53.13 1gmq s ALA 62 Cb 0.00 -3.36 0.16 0.00 0.00 0.00 0.00 23.12 19.92 1gmq s ALA 62 CO 0.00 -0.34 1.40 0.00 0.00 0.00 0.00 175.76 176.81 1gmq h ARG 63 N 3.34 0.00 0.00 0.00 3.08 -1.95 -3.47 114.38 115.37 1gmq h ARG 63 Ca -0.48 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.06 1gmq h ARG 63 Cb 1.22 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.19 1gmq h ARG 63 CO 0.65 0.17 -0.33 0.25 -1.07 0.00 0.00 179.97 179.65 1gmq n THR 64 N -3.05 0.00 0.30 2.04 -2.24 -1.26 -5.01 114.28 105.06 1gmq n THR 64 Ca 0.02 -1.90 0.18 0.00 -2.27 0.00 0.00 64.05 60.08 1gmq n THR 64 Cb 0.62 0.20 0.88 0.00 -2.10 0.00 0.00 70.33 69.93 1gmq n THR 64 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1gmq h ARG 65 N 0.00 0.00 0.00 -0.78 3.08 -1.99 -3.46 114.38 111.23 1gmq h ARG 65 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1gmq h ARG 65 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1gmq h ARG 65 CO 0.53 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.84 1gmq n GLY 66 N -0.64 -0.77 0.46 0.04 0.00 -1.26 -4.41 105.19 98.60 1gmq n GLY 66 Ca -0.01 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.89 1gmq n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gmq n THR 67 N -0.06 0.60 -4.04 2.61 -2.24 -1.26 -4.96 114.28 104.94 1gmq n THR 67 Ca 0.00 -0.80 -0.36 0.00 -2.27 0.00 0.00 64.05 60.62 1gmq n THR 67 Cb 0.00 0.77 -0.08 0.00 -2.10 0.00 0.00 70.33 68.93 1gmq n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gmq s ARG 68 N -0.90 3.43 0.12 -0.78 0.52 -1.26 -1.06 118.95 119.02 1gmq s ARG 68 Ca 0.16 -0.25 -0.12 0.00 -0.52 0.00 0.00 55.73 54.99 1gmq s ARG 68 Cb 0.09 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.49 1gmq s ARG 68 CO 0.12 0.65 0.31 1.03 0.02 0.00 0.00 175.30 177.43 1gmq s ARG 69 N -0.68 1.01 -0.09 3.54 1.81 0.55 -1.71 118.95 123.38 1gmq s ARG 69 Ca 0.12 -0.87 0.04 0.00 -1.72 0.00 0.00 55.73 53.31 1gmq s ARG 69 Cb -0.12 0.41 -0.00 0.00 -0.45 0.00 0.00 34.95 34.79 1gmq s ARG 69 CO 0.02 -0.37 -0.24 0.42 -0.68 0.00 0.00 175.30 174.46 1gmq s ILE 70 N -3.85 2.02 -0.20 1.52 1.01 0.34 -1.31 121.20 120.72 1gmq s ILE 70 Ca 0.06 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 1gmq s ILE 70 Cb 0.03 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1gmq s ILE 70 CO -0.10 0.55 -0.04 -0.63 0.00 0.00 0.00 174.94 174.73 1gmq s ILE 71 N 0.23 3.55 0.18 2.92 -1.09 0.16 -0.40 121.20 126.75 1gmq s ILE 71 Ca -0.15 -0.45 -0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1gmq s ILE 71 Cb -0.17 -2.60 -0.05 0.00 -1.58 0.00 0.00 42.46 38.07 1gmq s ILE 71 CO 0.08 0.44 0.40 0.00 -1.23 0.00 0.00 174.94 174.62 1gmq s GLY 73 N -2.76 1.73 0.50 0.00 0.00 -0.14 -1.97 107.32 104.68 1gmq s GLY 73 Ca 0.40 -1.65 0.28 0.00 0.00 0.00 0.00 44.72 43.76 1gmq s GLY 73 CO 0.27 -1.61 1.97 0.83 0.00 0.00 0.00 173.10 174.56 1gmq h GLU 74 N 1.45 0.00 -7.20 2.90 5.08 -1.79 -3.42 114.58 111.61 1gmq h GLU 74 Ca -0.45 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.40 1gmq h GLU 74 Cb 1.25 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.60 1gmq h GLU 74 CO 0.60 0.14 0.38 0.00 -1.00 0.00 0.00 179.01 179.13 1gmq s ALA 75 N -3.88 2.48 -0.07 3.43 0.00 -1.26 -4.93 121.76 117.53 1gmq s ALA 75 Ca -0.01 0.55 -0.35 0.00 0.00 0.00 0.00 51.96 52.14 1gmq s ALA 75 Cb 0.11 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 1gmq s ALA 75 CO 0.59 -1.25 1.78 2.41 0.00 0.00 0.00 175.76 179.29 1gmq n THR 76 N -2.39 0.41 -1.73 0.00 -1.04 -1.26 -1.53 114.28 106.74 1gmq n THR 76 Ca 0.10 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.05 61.85 1gmq n THR 76 Cb 0.52 -1.65 -0.07 0.00 -1.82 0.00 0.00 70.33 67.31 1gmq n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gmq n GLN 77 N 5.66 -1.39 -3.13 -2.82 1.13 -1.26 -4.95 117.38 110.61 1gmq n GLN 77 Ca 0.22 1.14 -0.44 0.00 -1.94 0.00 0.00 57.00 55.98 1gmq n GLN 77 Cb 0.26 -5.51 -0.06 0.00 0.11 0.00 0.00 30.24 25.04 1gmq n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1gmq s GLU 78 N -3.92 3.11 -0.04 -1.09 2.12 -0.58 -4.87 118.70 113.43 1gmq s GLU 78 Ca 0.00 -0.99 -0.02 0.00 0.36 0.00 0.00 54.97 54.32 1gmq s GLU 78 Cb 0.00 -4.15 0.02 0.00 0.26 0.00 0.00 34.13 30.27 1gmq s GLU 78 CO 0.00 -1.33 0.09 -0.51 -0.54 0.00 0.00 175.26 172.97 1gmq s ASP 79 N 2.97 -0.05 0.02 -1.70 1.01 -1.26 -0.96 116.67 116.69 1gmq s ASP 79 Ca 0.15 0.17 0.08 0.00 0.71 0.00 0.00 52.55 53.66 1gmq s ASP 79 Cb -0.20 0.11 -0.03 0.00 1.01 0.00 0.00 42.92 43.81 1gmq s ASP 79 CO 0.10 -0.09 -0.23 -0.31 0.21 0.00 0.00 175.17 174.86 1gmq s TYR 80 N 0.62 2.43 -0.12 4.23 2.02 0.94 -0.69 117.35 126.78 1gmq s TYR 80 Ca -0.05 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 1gmq s TYR 80 Cb -0.07 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1gmq s TYR 80 CO -0.02 0.12 -0.01 -0.47 -1.57 0.00 0.00 175.55 173.60 1gmq s TYR 81 N -0.78 3.10 -0.07 2.71 5.04 0.51 0.36 117.35 128.22 1gmq s TYR 81 Ca 0.12 -0.03 0.03 0.00 -2.44 0.00 0.00 57.07 54.75 1gmq s TYR 81 Cb -0.10 -1.89 0.01 0.00 0.35 0.00 0.00 41.96 40.33 1gmq s TYR 81 CO 0.02 0.22 -0.17 -0.08 -1.34 0.00 0.00 175.55 174.20 1gmq s THR 82 N -0.21 1.47 -1.28 4.34 -1.32 -0.43 -1.21 115.64 117.00 1gmq s THR 82 Ca 0.05 -0.69 0.10 0.00 -1.21 0.00 0.00 61.69 59.94 1gmq s THR 82 Cb -0.13 -1.30 0.08 0.00 -1.51 0.00 0.00 72.50 69.64 1gmq s THR 82 CO 0.02 0.43 0.82 0.61 -2.21 0.00 0.00 174.62 174.29 1gmq n GLY 83 N 3.61 -0.42 2.09 6.08 0.00 -1.26 -0.33 105.19 114.96 1gmq n GLY 83 Ca -0.21 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1gmq n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gmq n ASP 84 N 0.56 4.40 -3.53 1.61 5.68 -1.22 -4.43 116.55 119.62 1gmq n ASP 84 Ca 0.06 -3.52 -0.22 0.00 -0.50 0.00 0.00 54.79 50.61 1gmq n ASP 84 Cb 0.26 -0.36 0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1gmq n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1gmq n HIS 85 N -0.70 -2.11 -1.02 2.11 -0.00 -0.22 -2.73 115.22 110.54 1gmq n HIS 85 Ca 0.38 0.74 -0.01 0.00 -0.00 0.00 0.00 57.72 58.84 1gmq n HIS 85 Cb 0.94 -4.08 -0.00 0.00 -0.00 0.00 0.00 29.99 26.85 1gmq n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1gmq n TYR 86 N -3.90 0.00 0.00 1.57 4.01 -1.26 -4.90 117.16 112.68 1gmq n TYR 86 Ca -0.16 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.45 1gmq n TYR 86 Cb 0.63 -1.02 -0.10 0.00 -0.31 0.00 0.00 39.34 38.55 1gmq n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gmq h ALA 87 N 0.00 -0.08 -2.49 -0.72 0.00 -1.92 -3.46 119.26 110.58 1gmq h ALA 87 Ca -0.01 -0.28 -0.46 0.00 0.00 0.00 0.00 54.91 54.16 1gmq h ALA 87 Cb 0.49 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 1gmq h ALA 87 CO 0.02 -0.24 -0.75 0.95 0.00 0.00 0.00 179.25 179.23 1gmq s THR 88 N -3.66 1.71 0.02 0.00 -4.23 -1.26 -5.05 115.64 103.16 1gmq s THR 88 Ca -0.15 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 1gmq s THR 88 Cb 0.00 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 1gmq s THR 88 CO 0.61 -0.50 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.79 1gmq s PHE 89 N -2.63 0.27 0.07 3.99 0.08 -1.26 -4.41 117.98 114.09 1gmq s PHE 89 Ca 0.19 -0.44 0.07 0.00 0.12 0.00 0.00 56.93 56.88 1gmq s PHE 89 Cb -0.03 -0.19 -0.03 0.00 -0.57 0.00 0.00 43.02 42.21 1gmq s PHE 89 CO 0.06 -0.15 -0.20 -1.12 -0.10 0.00 0.00 175.22 173.72 1gmq s SER 90 N -1.22 2.35 0.12 1.36 0.01 -0.35 -0.22 113.70 115.75 1gmq s SER 90 Ca -0.13 -0.58 -0.24 0.00 1.31 0.00 0.00 55.95 56.31 1gmq s SER 90 Cb -0.08 -0.16 -0.07 0.00 0.21 0.00 0.00 66.02 65.92 1gmq s SER 90 CO -0.01 0.09 0.74 -0.22 0.41 0.00 0.00 173.24 174.25 1gmq s LEU 91 N -1.48 4.55 -0.11 2.44 0.20 -0.03 -0.37 118.68 123.88 1gmq s LEU 91 Ca 0.06 1.53 -0.20 0.00 0.69 0.00 0.00 54.13 56.21 1gmq s LEU 91 Cb -0.09 -3.21 -0.04 0.00 -0.43 0.00 0.00 46.19 42.42 1gmq s LEU 91 CO 0.03 0.18 0.57 -0.63 -0.29 0.00 0.00 176.35 176.20 1gmq s ILE 92 N -0.88 5.12 -0.42 6.68 1.01 0.14 -0.53 121.20 132.32 1gmq s ILE 92 Ca 0.35 1.15 -0.13 0.00 0.00 0.00 0.00 60.65 62.02 1gmq s ILE 92 Cb -0.22 -3.91 0.05 0.00 0.01 0.00 0.00 42.46 38.39 1gmq s ILE 92 CO 0.24 0.28 0.29 -0.62 0.00 0.00 0.00 174.94 175.13 1gmq s ASP 93 N 0.75 5.93 0.00 3.58 -1.08 0.15 -4.64 116.67 121.36 1gmq s ASP 93 Ca 0.30 -1.14 0.28 0.00 -0.52 0.00 0.00 52.55 51.48 1gmq s ASP 93 Cb -0.16 -2.10 1.49 0.00 -1.46 0.00 0.00 42.92 40.69 1gmq s ASP 93 CO 0.13 -0.50 1.99 0.00 0.52 0.00 0.00 175.17 177.32 1gmq n GLN 94 N 5.08 0.51 0.00 4.34 6.02 -1.26 -1.00 117.38 131.08 1gmq n GLN 94 Ca -0.11 0.02 0.14 0.00 -0.01 0.00 0.00 57.00 57.03 1gmq n GLN 94 Cb 0.45 -1.50 0.56 0.00 1.02 0.00 0.00 30.24 30.78 1gmq n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1gmq n THR 95 N -1.22 0.00 -1.26 5.09 -2.24 -1.26 -4.89 114.28 108.50 1gmq n THR 95 Ca 0.15 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1gmq n THR 95 Cb 0.20 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1gmq n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50