#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhq n GLY 4 N 0.00 -2.10 3.69 -0.72 0.00 -1.26 -4.86 105.19 99.94 2qhq n GLY 4 Ca 0.00 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 2qhq n GLY 4 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qhq n PHE 5 N -3.87 2.50 -0.66 1.61 7.35 -1.26 -5.34 117.46 117.80 2qhq n PHE 5 Ca 0.05 0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 2qhq n PHE 5 Cb 0.56 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 37.77 2qhq n PHE 5 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qhq n GLY 6 N 3.73 -1.55 3.64 7.13 0.00 -1.26 -5.42 105.19 111.47 2qhq n GLY 6 Ca 0.17 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 2qhq n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qhq s GLU 10 N -1.61 0.71 0.07 1.61 2.12 -1.26 -5.14 118.70 115.19 2qhq s GLU 10 Ca 0.00 1.21 -0.23 0.00 0.36 0.00 0.00 54.97 56.31 2qhq s GLU 10 Cb 0.00 0.15 -0.14 0.00 0.26 0.00 0.00 34.13 34.40 2qhq s GLU 10 CO 0.00 -0.15 1.62 1.25 -0.54 0.00 0.00 175.26 177.44 2qhq h LEU 11 N 6.88 0.07 -0.94 2.70 5.85 -2.00 -3.15 115.31 124.73 2qhq h LEU 11 Ca -0.30 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.32 2qhq h LEU 11 Cb 1.23 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 2qhq h LEU 11 CO 0.15 0.19 0.61 -0.61 -0.34 0.00 0.00 178.44 178.44 2qhq h GLN 12 N -0.06 1.13 -0.64 1.25 5.75 -2.03 -2.05 115.11 118.47 2qhq h GLN 12 Ca 0.02 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 2qhq h GLN 12 Cb 0.14 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 2qhq h GLN 12 CO -0.00 0.75 0.08 0.37 -2.65 0.00 0.00 178.83 177.37 2qhq h GLN 13 N 1.16 1.06 -0.46 1.69 5.75 -1.99 0.05 115.11 122.37 2qhq h GLN 13 Ca 0.38 -0.29 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2qhq h GLN 13 Cb 0.04 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 2qhq h GLN 13 CO -0.13 0.99 0.28 0.35 -2.65 0.00 0.00 178.83 177.67 2qhq h PHE 14 N 0.99 0.53 -0.58 3.99 3.57 -1.35 0.47 116.94 124.57 2qhq h PHE 14 Ca 0.19 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 2qhq h PHE 14 Cb 0.46 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2qhq h PHE 14 CO 0.03 0.32 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.35 2qhq h LEU 15 N 0.57 1.01 -0.94 0.59 3.38 -0.91 -0.12 115.31 118.89 2qhq h LEU 15 Ca 0.18 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2qhq h LEU 15 Cb -0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2qhq h LEU 15 CO -0.07 1.07 0.27 0.44 0.09 0.00 0.00 178.44 180.25 2qhq h ASP 16 N 0.91 0.96 -0.28 -0.43 3.32 -0.71 -0.80 116.42 119.39 2qhq h ASP 16 Ca 0.16 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 2qhq h ASP 16 Cb 0.56 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2qhq h ASP 16 CO 0.03 0.86 -0.36 0.00 -1.72 0.00 0.00 179.24 178.05 2qhq h ALA 17 N 1.28 0.43 -0.91 3.45 0.00 -0.51 -1.49 119.26 121.50 2qhq h ALA 17 Ca 0.24 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2qhq h ALA 17 Cb 0.21 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2qhq h ALA 17 CO -0.02 0.50 0.60 1.25 0.00 0.00 0.00 179.25 181.59 2qhq h LEU 18 N 0.49 1.04 -0.76 0.00 5.85 -0.86 0.14 115.31 121.21 2qhq h LEU 18 Ca 0.03 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 2qhq h LEU 18 Cb 0.95 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2qhq h LEU 18 CO 0.09 0.76 -0.30 0.00 -0.34 0.00 0.00 178.44 178.65 2qhq h ALA 19 N 1.33 0.94 0.08 1.25 0.00 -0.97 -2.97 119.26 118.93 2qhq h ALA 19 Ca 0.33 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2qhq h ALA 19 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2qhq h ALA 19 CO -0.07 0.61 -0.81 1.03 0.00 0.00 0.00 179.25 180.01 2qhq h SER 20 N 0.52 0.27 -1.84 0.00 0.87 -0.82 -3.43 113.55 109.12 2qhq h SER 20 Ca 0.06 -0.89 -0.53 0.00 -1.23 0.00 0.00 61.79 59.20 2qhq h SER 20 Cb 0.77 -0.09 -0.37 0.00 -0.44 0.00 0.00 62.40 62.28 2qhq h SER 20 CO 0.06 1.36 -1.05 -1.20 -0.53 0.00 0.00 176.83 175.47 2qhq n SER 21 N -4.24 -0.11 0.22 6.23 7.64 0.43 -5.00 113.62 118.80 2qhq n SER 21 Ca -0.18 -2.73 0.16 0.00 1.01 0.00 0.00 58.87 57.13 2qhq n SER 21 Cb 0.74 -0.43 0.82 0.00 -1.01 0.00 0.00 64.21 64.33 2qhq n SER 21 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2qhq h PRO 22 N 4.05 0.00 -2.14 1.43 0.13 -1.66 -3.32 132.00 130.50 2qhq h PRO 22 Ca 0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.09 2qhq h PRO 22 Cb 0.89 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 2qhq h PRO 22 CO 0.45 0.00 -0.12 0.39 -0.23 0.00 0.00 178.00 178.48 2qhq n GLU 23 N -3.95 1.27 -1.61 0.86 1.02 -1.26 -4.87 120.64 112.11 2qhq n GLU 23 Ca 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 2qhq n GLU 23 Cb 0.25 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2qhq n GLU 23 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2qhq n ILE 25 N 2.24 -1.66 -4.26 -3.67 2.08 -1.25 -5.08 119.36 107.76 2qhq n ILE 25 Ca 0.21 0.65 -0.27 0.00 0.56 0.00 0.00 62.75 63.91 2qhq n ILE 25 Cb 0.60 -0.95 -0.09 0.00 -0.75 0.00 0.00 39.64 38.45 2qhq n ILE 25 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2qhq s GLU 26 N -1.04 2.19 0.25 0.38 2.56 -1.26 -4.41 118.70 117.37 2qhq s GLU 26 Ca 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 54.97 53.73 2qhq s GLU 26 Cb 0.00 -2.23 0.42 0.00 2.00 0.00 0.00 34.13 34.32 2qhq s GLU 26 CO 0.00 0.44 1.82 0.35 -0.56 0.00 0.00 175.26 177.31 2qhq h PHE 27 N 2.83 0.91 -0.96 5.30 3.57 -1.78 -1.12 116.94 125.69 2qhq h PHE 27 Ca -0.47 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.09 2qhq h PHE 27 Cb 1.20 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 2qhq h PHE 27 CO 0.64 0.37 0.63 0.93 -2.23 0.00 0.00 178.31 178.65 2qhq h GLU 28 N 0.83 1.19 -0.31 1.11 3.07 -1.94 -2.50 114.58 116.03 2qhq h GLU 28 Ca 0.41 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 59.15 2qhq h GLU 28 Cb 0.37 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2qhq h GLU 28 CO -0.25 0.79 0.01 1.15 -1.40 0.00 0.00 179.01 179.31 2qhq h THR 29 N 1.23 1.25 0.00 1.13 2.02 -1.63 -0.97 112.91 115.94 2qhq h THR 29 Ca 0.37 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2qhq h THR 29 Cb -0.03 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2qhq h THR 29 CO -0.11 0.30 0.00 0.41 0.37 0.00 0.00 175.52 176.48 2qhq n THR 30 N -4.57 0.00 0.00 3.16 -1.04 -0.79 -1.24 114.28 109.80 2qhq n THR 30 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2qhq n THR 30 Cb 0.25 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 2qhq n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qhq n ALA 32 N 0.64 0.00 -0.26 2.41 0.00 -0.37 -1.57 120.51 121.35 2qhq n ALA 32 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2qhq n ALA 32 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2qhq n ALA 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2qhq h VAL 33 N 0.00 1.26 -0.22 0.00 3.04 -1.44 0.25 116.25 119.15 2qhq h VAL 33 Ca 0.00 -0.90 -0.02 0.00 -1.01 0.00 0.00 66.70 64.77 2qhq h VAL 33 Cb 0.00 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 2qhq h VAL 33 CO 0.00 0.35 0.04 0.40 -1.01 0.00 0.00 177.57 177.36 2qhq h ILE 34 N 1.10 1.22 -0.50 3.17 2.04 -1.54 -1.76 117.51 121.23 2qhq h ILE 34 Ca 0.24 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.45 2qhq h ILE 34 Cb 0.29 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 2qhq h ILE 34 CO -0.01 0.22 0.19 -0.08 0.00 0.00 0.00 178.15 178.47 2qhq h GLU 35 N 0.16 0.37 0.00 2.37 4.57 -1.77 -1.49 114.58 118.79 2qhq h GLU 35 Ca 0.07 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 2qhq h GLU 35 Cb 0.30 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2qhq h GLU 35 CO 0.00 0.24 -0.47 -0.44 -1.18 0.00 0.00 179.01 177.16 2qhq h ASP 36 N 0.38 0.00 0.00 1.04 5.19 -0.81 -3.32 116.42 118.90 2qhq h ASP 36 Ca 0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 2qhq h ASP 36 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2qhq h ASP 36 CO -0.23 0.47 -0.77 0.59 -3.12 0.00 0.00 179.24 176.18 2qhq n ASN 37 N -3.73 0.76 -4.01 6.45 3.02 -0.67 -5.02 115.26 112.06 2qhq n ASN 37 Ca -0.01 -0.76 -0.10 0.00 -0.03 0.00 0.00 54.58 53.69 2qhq n ASN 37 Cb 0.53 1.06 -0.11 0.00 -0.61 0.00 0.00 39.78 40.66 2qhq n ASN 37 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2qhq s TYR 38 N -2.41 0.38 -0.12 3.10 2.02 -0.59 -4.52 117.35 115.21 2qhq s TYR 38 Ca 0.04 -0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 55.96 2qhq s TYR 38 Cb 0.11 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 2qhq s TYR 38 CO 0.59 -0.19 0.53 -0.51 -1.57 0.00 0.00 175.55 174.39 2qhq s ASP 39 N -1.67 6.72 -0.17 2.29 1.01 0.16 -4.69 116.67 120.32 2qhq s ASP 39 Ca -0.12 0.86 -0.08 0.00 0.71 0.00 0.00 52.55 53.92 2qhq s ASP 39 Cb -0.08 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 2qhq s ASP 39 CO -0.02 -0.06 0.11 0.12 0.21 0.00 0.00 175.17 175.54 2qhq s PHE 40 N 0.85 3.42 -0.17 4.23 5.36 -1.26 -1.63 117.98 128.78 2qhq s PHE 40 Ca 0.28 0.33 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 2qhq s PHE 40 Cb -0.16 -2.07 0.04 0.00 -0.34 0.00 0.00 43.02 40.48 2qhq s PHE 40 CO 0.11 0.38 -0.10 0.99 -1.46 0.00 0.00 175.22 175.15 2qhq s THR 41 N -0.04 1.46 0.31 0.12 2.01 0.20 -5.02 115.64 114.69 2qhq s THR 41 Ca 0.09 -0.77 -0.28 0.00 0.31 0.00 0.00 61.69 61.04 2qhq s THR 41 Cb -0.12 -1.51 -0.13 0.00 0.01 0.00 0.00 72.50 70.75 2qhq s THR 41 CO 0.00 0.26 1.12 -2.65 -0.69 0.00 0.00 174.62 172.65 2qhq n PRO 42 N 4.77 1.64 -3.85 4.92 -0.02 -1.26 -4.30 135.00 136.90 2qhq n PRO 42 Ca -0.15 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 2qhq n PRO 42 Cb 0.48 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 2qhq n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qhq s ALA 43 N -1.05 -0.12 0.28 3.55 0.00 -1.26 -4.75 121.76 118.40 2qhq s ALA 43 Ca 0.58 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 2qhq s ALA 43 Cb -0.65 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.28 2qhq s ALA 43 CO 0.61 -0.03 1.01 0.00 0.00 0.00 0.00 175.76 177.35 2qhq s ALA 44 N 0.08 3.34 0.04 0.00 0.00 -1.26 -4.07 121.76 119.88 2qhq s ALA 44 Ca -0.00 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 2qhq s ALA 44 Cb -0.01 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.88 2qhq s ALA 44 CO -0.00 0.02 0.38 -0.59 0.00 0.00 0.00 175.76 175.58 2qhq s PHE 45 N -1.25 -0.23 0.16 0.00 -0.12 -0.40 -1.31 117.98 114.83 2qhq s PHE 45 Ca 0.45 0.19 0.05 0.00 -0.05 0.00 0.00 56.93 57.57 2qhq s PHE 45 Cb -0.27 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 2qhq s PHE 45 CO 0.35 -0.54 0.11 0.95 -0.05 0.00 0.00 175.22 176.04 2qhq s THR 46 N -2.36 4.38 -0.37 -4.49 -4.23 -0.27 -0.58 115.64 107.71 2qhq s THR 46 Ca -0.06 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.39 2qhq s THR 46 Cb -0.01 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.77 2qhq s THR 46 CO -0.02 -0.08 0.42 0.21 -0.54 0.00 0.00 174.62 174.60 2qhq s ASN 47 N -3.01 0.72 1.82 3.99 2.47 0.14 -2.03 114.94 119.04 2qhq s ASN 47 Ca 0.30 -1.39 0.00 0.00 0.42 0.00 0.00 52.86 52.19 2qhq s ASN 47 Cb -0.10 0.80 0.00 0.00 -1.45 0.00 0.00 41.25 40.50 2qhq s ASN 47 CO 0.23 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 173.96 2qhq n GLY 48 N 4.34 2.57 0.49 1.21 0.00 0.18 -1.10 105.19 112.88 2qhq n GLY 48 Ca 0.10 0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.58 2qhq n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qhq n ASN 49 N 10.03 1.53 -4.74 1.61 4.13 -1.26 -4.88 115.26 121.68 2qhq n ASN 49 Ca 0.00 -1.52 -0.34 0.00 1.68 0.00 0.00 54.58 54.40 2qhq n ASN 49 Cb 0.00 -0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 2qhq n ASN 49 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2qhq s THR 50 N -1.99 4.56 -0.12 3.41 -4.23 -0.25 -5.11 115.64 111.91 2qhq s THR 50 Ca 0.38 -0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 2qhq s THR 50 Cb 0.21 -3.01 -0.00 0.00 1.34 0.00 0.00 72.50 71.04 2qhq s THR 50 CO 0.33 0.48 -0.19 -1.10 -0.54 0.00 0.00 174.62 173.60 2qhq s GLN 51 N -1.32 3.17 -0.18 3.99 -0.21 -1.26 -0.68 119.66 123.18 2qhq s GLN 51 Ca 0.18 -0.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.75 2qhq s GLN 51 Cb -0.12 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.44 2qhq s GLN 51 CO 0.08 0.15 -0.14 -0.80 -2.12 0.00 0.00 175.29 172.46 2qhq s ASN 52 N 0.46 3.71 0.77 5.90 0.01 0.26 -5.02 114.94 121.02 2qhq s ASN 52 Ca -0.13 -0.49 -0.11 0.00 -0.71 0.00 0.00 52.86 51.42 2qhq s ASN 52 Cb -0.17 -1.59 0.06 0.00 0.41 0.00 0.00 41.25 39.96 2qhq s ASN 52 CO 0.06 0.04 1.09 -1.81 -1.51 0.00 0.00 177.10 174.97 2qhq s ASP 53 N 1.08 4.48 0.33 -1.22 1.01 -1.26 -1.27 116.67 119.82 2qhq s ASP 53 Ca -0.00 1.85 -0.29 0.00 0.71 0.00 0.00 52.55 54.82 2qhq s ASP 53 Cb -0.14 -2.52 -0.12 0.00 1.01 0.00 0.00 42.92 41.14 2qhq s ASP 53 CO -0.04 -2.05 1.36 0.00 0.21 0.00 0.00 175.17 174.65 2qhq n ALA 54 N -3.48 1.54 -0.88 5.23 0.00 -1.26 -1.82 120.51 119.84 2qhq n ALA 54 Ca 0.09 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2qhq n ALA 54 Cb 0.53 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2qhq n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qhq n ASN 55 N 0.99 -0.84 -4.65 0.00 3.02 -1.26 -4.90 115.26 107.62 2qhq n ASN 55 Ca 0.05 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.26 2qhq n ASN 55 Cb 0.36 -0.92 -0.09 0.00 -0.61 0.00 0.00 39.78 38.52 2qhq n ASN 55 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2qhq s GLU 56 N -0.38 3.92 -1.18 3.52 2.12 -0.76 -4.59 118.70 121.36 2qhq s GLU 56 Ca 0.00 -0.33 -0.02 0.00 0.36 0.00 0.00 54.97 54.97 2qhq s GLU 56 Cb 0.00 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 2qhq s GLU 56 CO 0.00 0.32 0.93 0.09 -0.54 0.00 0.00 175.26 176.05 2qhq n ASN 57 N 3.40 -3.13 0.21 -1.70 3.02 -1.26 -4.62 115.26 111.18 2qhq n ASN 57 Ca -0.17 -0.69 0.05 0.00 -0.03 0.00 0.00 54.58 53.75 2qhq n ASN 57 Cb 0.52 -4.93 0.50 0.00 -0.61 0.00 0.00 39.78 35.26 2qhq n ASN 57 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2qhq h ASN 58 N -1.70 0.05 -0.10 6.41 2.35 -1.95 -1.55 115.58 119.09 2qhq h ASN 58 Ca -0.60 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2qhq h ASN 58 Cb 1.34 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.69 2qhq h ASN 58 CO 0.49 0.20 0.06 1.23 -1.65 0.00 0.00 177.43 177.77 2qhq h GLY 59 N 0.53 0.14 1.11 2.83 0.00 -1.99 -3.07 103.07 102.62 2qhq h GLY 59 Ca 0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 2qhq h GLY 59 CO 0.02 0.05 0.01 1.76 0.00 0.00 0.00 176.54 178.38 2qhq h SER 60 N 0.11 1.04 0.00 0.19 0.02 -1.87 -1.62 113.55 111.42 2qhq h SER 60 Ca 0.03 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2qhq h SER 60 Cb 0.01 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.27 2qhq h SER 60 CO -0.01 1.08 0.00 0.00 -1.14 0.00 0.00 176.83 176.76 2qhq n ILE 63 N 0.18 0.00 -0.21 0.00 5.41 -0.61 -1.72 119.36 122.40 2qhq n ILE 63 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 2qhq n ILE 63 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 2qhq n ILE 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2qhq h PHE 64 N 0.00 0.96 -0.78 1.39 0.04 -1.46 0.11 116.94 117.19 2qhq h PHE 64 Ca 0.00 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 2qhq h PHE 64 Cb 0.00 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.84 2qhq h PHE 64 CO 0.00 0.79 0.46 0.00 -0.60 0.00 0.00 178.31 178.96 2qhq h ALA 65 N 1.06 1.00 -0.52 2.45 0.00 -1.57 -2.01 119.26 119.67 2qhq h ALA 65 Ca 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2qhq h ALA 65 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2qhq h ALA 65 CO -0.01 0.48 0.16 0.35 0.00 0.00 0.00 179.25 180.24 2qhq h PHE 66 N 1.08 0.85 -0.98 0.00 3.57 -1.73 -1.52 116.94 118.20 2qhq h PHE 66 Ca 0.28 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.75 2qhq h PHE 66 Cb -0.02 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.42 2qhq h PHE 66 CO -0.00 0.73 0.64 0.78 -2.23 0.00 0.00 178.31 178.22 2qhq h GLY 67 N 0.72 1.45 1.03 2.40 0.00 -0.48 -2.04 103.07 106.15 2qhq h GLY 67 Ca 0.17 -0.47 -0.19 0.00 0.00 0.00 0.00 47.33 46.84 2qhq h GLY 67 CO -0.01 0.36 -0.65 1.41 0.00 0.00 0.00 176.54 177.66 2qhq h LEU 68 N 1.17 0.79 -1.78 3.11 3.38 -0.98 0.21 115.31 121.22 2qhq h LEU 68 Ca 0.41 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2qhq h LEU 68 Cb 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2qhq h LEU 68 CO -0.15 1.30 -0.15 -0.07 0.09 0.00 0.00 178.44 179.46 2qhq h LEU 69 N 0.33 0.00 -3.15 1.67 3.38 -1.09 -2.96 115.31 113.49 2qhq h LEU 69 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qhq h LEU 69 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2qhq h LEU 69 CO 0.13 0.15 0.00 0.59 0.09 0.00 0.00 178.44 179.40 2qhq n ASN 70 N -3.70 3.42 -3.44 -0.43 3.02 -0.78 -4.99 115.26 108.36 2qhq n ASN 70 Ca -0.02 -2.84 -0.25 0.00 -0.03 0.00 0.00 54.58 51.45 2qhq n ASN 70 Cb 0.27 -0.46 0.04 0.00 -0.61 0.00 0.00 39.78 39.02 2qhq n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qhq n ALA 71 N -0.50 -1.15 -1.90 5.41 0.00 -0.69 -4.96 120.51 116.71 2qhq n ALA 71 Ca 0.18 0.27 -0.39 0.00 0.00 0.00 0.00 53.44 53.50 2qhq n ALA 71 Cb 0.76 -4.31 -0.06 0.00 0.00 0.00 0.00 19.45 15.84 2qhq n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qhq s LEU 72 N -6.97 4.53 0.00 0.00 1.43 -0.02 -5.05 118.68 112.60 2qhq s LEU 72 Ca 0.48 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 2qhq s LEU 72 Cb -0.23 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2qhq s LEU 72 CO 0.60 0.13 0.00 -0.90 0.23 0.00 0.00 176.35 176.40 2qhq n ASP 73 N 1.27 0.00 0.00 2.29 5.68 -1.26 -4.80 116.55 119.73 2qhq n ASP 73 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2qhq n ASP 73 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 2qhq n ASP 73 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qhq n GLU 75 N 0.00 0.00 -0.12 0.11 4.71 -1.26 -1.61 120.64 122.48 2qhq n GLU 75 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 2qhq n GLU 75 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 31.44 30.55 2qhq n GLU 75 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qhq h ALA 76 N 0.00 1.01 -0.16 0.62 0.00 -1.97 -1.74 119.26 117.02 2qhq h ALA 76 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2qhq h ALA 76 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qhq h ALA 76 CO 0.00 0.60 0.01 1.15 0.00 0.00 0.00 179.25 181.01 2qhq h THR 77 N 0.75 1.24 -0.97 0.00 2.02 -1.61 -2.81 112.91 111.53 2qhq h THR 77 Ca 0.14 -0.79 0.09 0.00 0.77 0.00 0.00 66.41 66.62 2qhq h THR 77 Cb 0.54 1.46 -0.07 0.00 -1.74 0.00 0.00 68.15 68.34 2qhq h THR 77 CO 0.03 0.24 0.62 -0.07 0.37 0.00 0.00 175.52 176.71 2qhq h LEU 78 N 0.03 0.93 -1.92 2.58 3.38 -1.79 -1.68 115.31 116.83 2qhq h LEU 78 Ca 0.05 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qhq h LEU 78 Cb 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2qhq h LEU 78 CO 0.01 0.55 0.05 0.00 0.09 0.00 0.00 178.44 179.14 2qhq h ALA 79 N 1.51 1.94 0.00 1.53 0.00 -1.07 -1.02 119.26 122.15 2qhq h ALA 79 Ca 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2qhq h ALA 79 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qhq h ALA 79 CO -0.20 0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.04 2qhq n PHE 81 N -3.57 0.07 -1.15 0.00 3.72 -0.39 -4.34 117.46 111.80 2qhq n PHE 81 Ca -0.02 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2qhq n PHE 81 Cb 0.17 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 2qhq n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qhq n GLY 82 N 0.33 3.20 0.31 1.37 0.00 -0.33 -2.28 105.19 107.80 2qhq n GLY 82 Ca 0.04 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.06 2qhq n GLY 82 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qhq h ARG 83 N 0.00 0.00 -0.31 1.61 0.11 -1.90 -0.44 114.38 113.46 2qhq h ARG 83 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 2qhq h ARG 83 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 2qhq h ARG 83 CO 0.00 0.00 -0.16 0.74 0.10 0.00 0.00 179.97 180.65 2qhq h PHE 84 N 0.00 0.60 0.01 4.08 0.04 -1.86 0.67 116.94 120.47 2qhq h PHE 84 Ca 0.06 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 2qhq h PHE 84 Cb 0.28 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.27 2qhq h PHE 84 CO 0.00 0.68 -0.01 -0.92 -0.60 0.00 0.00 178.31 177.46 2qhq h TYR 85 N 0.50 -0.01 -0.10 -0.55 3.20 -1.52 -2.44 116.97 116.05 2qhq h TYR 85 Ca 0.08 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 2qhq h TYR 85 Cb 0.57 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2qhq h TYR 85 CO 0.02 0.39 -0.32 0.00 -1.64 0.00 0.00 178.16 176.61 2qhq h ARG 86 N -1.00 0.19 0.00 1.82 3.08 -1.00 -0.70 114.38 116.77 2qhq h ARG 86 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2qhq h ARG 86 Cb 0.41 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2qhq h ARG 86 CO 0.00 0.50 -0.13 0.39 -1.07 0.00 0.00 179.97 179.66 2qhq n GLU 87 N -4.11 0.07 -0.26 0.04 1.02 0.17 -4.20 120.64 113.37 2qhq n GLU 87 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2qhq n GLU 87 Cb 0.40 -0.46 0.13 0.00 -0.02 0.00 0.00 31.44 31.48 2qhq n GLU 87 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2qhq h ASP 88 N -0.13 0.62 0.00 1.62 5.19 -1.47 -2.36 116.42 119.89 2qhq h ASP 88 Ca 0.00 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.40 2qhq h ASP 88 Cb 0.13 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 2qhq h ASP 88 CO 0.00 0.39 -0.68 0.52 -3.12 0.00 0.00 179.24 176.35 2qhq n VAL 89 N -4.75 1.44 -0.14 -1.35 0.31 -0.92 -3.94 118.33 108.98 2qhq n VAL 89 Ca 0.11 0.17 0.05 0.00 -0.01 0.00 0.00 64.34 64.65 2qhq n VAL 89 Cb 0.21 -2.33 0.35 0.00 -0.91 0.00 0.00 33.84 31.15 2qhq n VAL 89 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2qhq h LEU 90 N -1.00 0.66 -0.18 7.52 3.38 -1.20 -1.63 115.31 122.86 2qhq h LEU 90 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2qhq h LEU 90 Cb 0.67 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2qhq h LEU 90 CO -0.04 0.45 -0.24 0.18 0.09 0.00 0.00 178.44 178.88 2qhq n LEU 91 N -4.46 0.53 -3.24 1.67 4.77 -0.89 -4.45 117.00 110.93 2qhq n LEU 91 Ca 0.08 0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.84 2qhq n LEU 91 Cb 0.15 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2qhq n LEU 91 CO 0.35 0.11 -0.21 1.41 -1.33 0.00 0.00 177.39 177.71 2qhq n HIS 92 N -1.14 0.55 0.31 -1.77 8.25 -0.61 -4.94 115.22 115.88 2qhq n HIS 92 Ca 0.10 -3.70 0.20 0.00 -0.26 0.00 0.00 57.72 54.06 2qhq n HIS 92 Cb 0.32 -0.40 0.98 0.00 1.12 0.00 0.00 29.99 32.01 2qhq n HIS 92 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qhq h PRO 93 N 4.01 0.00 0.00 -0.41 0.13 -1.78 -2.67 132.00 131.28 2qhq h PRO 93 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2qhq h PRO 93 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2qhq h PRO 93 CO 0.55 0.00 -0.22 0.39 -0.23 0.00 0.00 178.00 178.48 2qhq n GLU 94 N -3.08 0.08 -2.31 0.86 1.02 -1.26 -4.88 120.64 111.07 2qhq n GLU 94 Ca -0.01 0.05 -0.28 0.00 -0.02 0.00 0.00 57.16 56.90 2qhq n GLU 94 Cb 0.18 -1.57 0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2qhq n GLU 94 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2qhq s ASN 95 N -3.40 5.69 -0.09 1.62 0.01 -1.01 -5.03 114.94 112.73 2qhq s ASN 95 Ca 0.12 0.85 0.16 0.00 -0.71 0.00 0.00 52.86 53.28 2qhq s ASN 95 Cb 0.17 -1.86 0.34 0.00 0.41 0.00 0.00 41.25 40.30 2qhq s ASN 95 CO 0.61 -1.04 1.16 -0.46 -1.51 0.00 0.00 177.10 175.86 2qhq n ASN 96 N -2.62 1.30 -4.25 -1.22 0.23 -1.26 -5.05 115.26 102.38 2qhq n ASN 96 Ca 0.04 -2.83 -0.29 0.00 -0.53 0.00 0.00 54.58 50.97 2qhq n ASN 96 Cb 0.57 -0.38 0.19 0.00 -2.08 0.00 0.00 39.78 38.08 2qhq n ASN 96 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 2qhq s ASP 97 N -2.41 2.27 -1.35 0.53 1.47 -1.26 -4.42 116.67 111.51 2qhq s ASP 97 Ca 0.30 0.72 -0.11 0.00 1.18 0.00 0.00 52.55 54.63 2qhq s ASP 97 Cb 0.30 -1.06 0.01 0.00 -0.34 0.00 0.00 42.92 41.83 2qhq s ASP 97 CO -0.08 -3.30 0.44 1.41 0.68 0.00 0.00 175.17 174.33 2qhq n HIS 98 N -4.22 -1.55 -0.03 2.11 8.25 -1.26 -4.77 115.22 113.75 2qhq n HIS 98 Ca 0.11 0.52 0.10 0.00 -0.26 0.00 0.00 57.72 58.19 2qhq n HIS 98 Cb 0.59 -3.28 0.50 0.00 1.12 0.00 0.00 29.99 28.93 2qhq n HIS 98 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2qhq h GLN 99 N -2.00 0.38 -0.51 -0.41 1.08 -2.00 -1.01 115.11 110.65 2qhq h GLN 99 Ca -0.66 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 56.40 2qhq h GLN 99 Cb 1.38 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 2qhq h GLN 99 CO 0.60 0.25 -0.13 -0.91 -0.95 0.00 0.00 178.83 177.69 2qhq h ASN 100 N 0.39 0.97 -0.21 1.46 2.35 -1.95 0.01 115.58 118.60 2qhq h ASN 100 Ca 0.23 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 2qhq h ASN 100 Cb 0.39 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2qhq h ASN 100 CO -0.06 1.10 0.06 0.40 -1.65 0.00 0.00 177.43 177.28 2qhq h ILE 101 N 0.86 1.20 -0.71 2.81 2.04 -1.66 -1.44 117.51 120.60 2qhq h ILE 101 Ca 0.13 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 2qhq h ILE 101 Cb 0.69 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 2qhq h ILE 101 CO 0.05 0.20 0.32 0.03 0.00 0.00 0.00 178.15 178.75 2qhq h ARG 102 N 0.17 1.04 -0.53 2.37 3.08 -1.09 -2.56 114.38 116.86 2qhq h ARG 102 Ca 0.07 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2qhq h ARG 102 Cb 0.26 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2qhq h ARG 102 CO -0.00 0.83 0.01 -0.91 -1.07 0.00 0.00 179.97 178.83 2qhq h ASN 103 N 1.00 0.91 0.00 7.04 2.35 -0.97 -3.28 115.58 122.64 2qhq h ASN 103 Ca 0.24 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2qhq h ASN 103 Cb 0.15 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2qhq h ASN 103 CO -0.03 0.99 0.02 0.33 -1.65 0.00 0.00 177.43 177.09 2qhq n PHE 104 N -4.29 0.00 0.00 1.19 7.35 -0.55 -1.43 117.46 119.73 2qhq n PHE 104 Ca 0.02 -0.53 0.00 0.00 -0.76 0.00 0.00 57.45 56.18 2qhq n PHE 104 Cb 0.32 -0.51 0.00 0.00 0.35 0.00 0.00 39.48 39.64 2qhq n PHE 104 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2qhq n VAL 106 N 2.00 0.00 0.56 -2.13 0.31 -1.24 -0.61 118.33 117.22 2qhq n VAL 106 Ca 0.05 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.48 2qhq n VAL 106 Cb 0.28 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.10 2qhq n VAL 106 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2qhq n THR 107 N 0.00 0.03 -4.09 2.52 -2.24 -0.51 -5.06 114.28 104.93 2qhq n THR 107 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2qhq n THR 107 Cb 0.00 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2qhq n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qhq n GLY 108 N 1.39 1.34 0.20 3.38 0.00 0.22 -2.49 105.19 109.24 2qhq n GLY 108 Ca 0.01 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.55 2qhq n GLY 108 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2qhq h TRP 109 N 0.00 0.00 0.00 1.61 -0.00 -1.95 -2.28 115.95 113.33 2qhq h TRP 109 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 2qhq h TRP 109 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.16 2qhq h TRP 109 CO 0.00 0.32 -0.10 0.93 -0.00 0.00 0.00 178.44 179.59 2qhq h GLU 110 N 0.00 0.00 -0.01 0.49 4.39 -1.96 -1.91 114.58 115.58 2qhq h GLU 110 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qhq h GLU 110 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2qhq h GLU 110 CO 0.04 0.10 -0.11 0.41 -1.16 0.00 0.00 179.01 178.29 2qhq n GLY 111 N -0.96 -0.37 3.75 -3.84 0.00 -0.86 -4.91 105.19 98.01 2qhq n GLY 111 Ca -0.02 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 2qhq n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qhq s ILE 112 N -2.24 5.41 -0.16 -0.61 -1.09 -0.72 -0.65 121.20 121.15 2qhq s ILE 112 Ca 0.32 0.24 -0.04 0.00 -2.23 0.00 0.00 60.65 58.94 2qhq s ILE 112 Cb 0.20 -3.48 0.08 0.00 -1.58 0.00 0.00 42.46 37.68 2qhq s ILE 112 CO 0.42 0.46 0.26 -1.10 -1.23 0.00 0.00 174.94 173.75 2qhq s GLN 113 N 0.16 0.17 0.03 2.79 -0.21 -0.86 -4.99 119.66 116.75 2qhq s GLN 113 Ca 0.10 0.59 -0.17 0.00 0.02 0.00 0.00 55.36 55.90 2qhq s GLN 113 Cb -0.11 -0.38 -0.06 0.00 1.00 0.00 0.00 33.01 33.45 2qhq s GLN 113 CO -0.00 -0.41 0.48 -0.06 -2.12 0.00 0.00 175.29 173.17 2qhq s PHE 114 N 2.40 3.76 0.10 0.91 0.08 -1.26 -1.12 117.98 122.86 2qhq s PHE 114 Ca 0.04 1.11 -0.00 0.00 0.12 0.00 0.00 56.93 58.20 2qhq s PHE 114 Cb -0.13 -2.38 -0.21 0.00 -0.57 0.00 0.00 43.02 39.72 2qhq s PHE 114 CO -0.10 0.61 1.23 0.93 -0.10 0.00 0.00 175.22 177.79 2qhq h GLU 115 N 4.68 0.19 -4.24 0.44 5.08 -1.57 -3.47 114.58 115.69 2qhq h GLU 115 Ca -0.51 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 57.42 2qhq h GLU 115 Cb 1.22 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 30.43 2qhq h GLU 115 CO 0.63 1.11 -0.58 0.95 -1.00 0.00 0.00 179.01 180.11 2qhq s THR 116 N -2.79 0.13 -0.14 1.13 -4.23 -1.26 -5.03 115.64 103.46 2qhq s THR 116 Ca -0.02 -1.74 -0.28 0.00 -1.18 0.00 0.00 61.69 58.47 2qhq s THR 116 Cb 0.08 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 2qhq s THR 116 CO 0.86 -0.61 0.96 -0.55 -0.54 0.00 0.00 174.62 174.73 2qhq s SER 117 N -2.98 7.14 0.19 3.99 0.15 -1.26 -4.82 113.70 116.11 2qhq s SER 117 Ca 0.16 1.40 0.18 0.00 0.70 0.00 0.00 55.95 58.40 2qhq s SER 117 Cb 0.07 -2.52 -0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2qhq s SER 117 CO -0.03 -0.46 1.12 0.00 1.20 0.00 0.00 173.24 175.07 2qhq h ALA 118 N 7.21 0.66 -3.53 5.45 0.00 -1.93 -3.43 119.26 123.69 2qhq h ALA 118 Ca -0.29 -0.46 -0.43 0.00 0.00 0.00 0.00 54.91 53.73 2qhq h ALA 118 Cb 1.13 0.09 -0.33 0.00 0.00 0.00 0.00 17.79 18.68 2qhq h ALA 118 CO 0.87 0.54 -0.78 -0.51 0.00 0.00 0.00 179.25 179.36 2qhq s LEU 119 N -5.91 1.52 -0.07 0.00 1.43 -1.26 -0.63 118.68 113.75 2qhq s LEU 119 Ca 0.01 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2qhq s LEU 119 Cb 0.08 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 2qhq s LEU 119 CO 0.77 -0.01 -0.24 -0.89 0.23 0.00 0.00 176.35 176.22 2qhq s THR 120 N 0.68 1.98 -1.98 5.49 2.01 -0.64 -4.97 115.64 118.20 2qhq s THR 120 Ca -0.10 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 60.89 2qhq s THR 120 Cb -0.13 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.68 2qhq s THR 120 CO 0.01 0.55 0.50 0.00 -0.69 0.00 0.00 174.62 174.98