#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxq s SER 7 N 0.00 4.72 -0.14 4.38 1.04 -1.14 -4.95 113.70 117.60 2dxq s SER 7 Ca 0.00 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.24 2dxq s SER 7 Cb 0.00 -1.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.01 2dxq s SER 7 CO 0.00 0.25 -0.09 -0.76 0.98 0.00 0.00 173.24 173.62 2dxq s LEU 8 N -1.72 2.97 0.17 2.42 1.43 -1.26 -0.83 118.68 121.86 2dxq s LEU 8 Ca 0.20 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 2dxq s LEU 8 Cb -0.11 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2dxq s LEU 8 CO 0.11 0.17 0.42 0.00 0.23 0.00 0.00 176.35 177.28 2dxq s ARG 9 N 0.35 1.24 0.43 1.70 1.70 -0.68 -5.00 118.95 118.69 2dxq s ARG 9 Ca -0.08 -0.93 -0.24 0.00 -0.47 0.00 0.00 55.73 54.01 2dxq s ARG 9 Cb -0.15 0.46 -0.08 0.00 -0.57 0.00 0.00 34.95 34.61 2dxq s ARG 9 CO 0.04 -0.50 1.22 0.00 -1.08 0.00 0.00 175.30 174.99 2dxq s ALA 10 N -3.89 3.10 0.69 7.88 0.00 -1.26 -0.67 121.76 127.61 2dxq s ALA 10 Ca 0.10 1.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 2dxq s ALA 10 Cb 0.01 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2dxq s ALA 10 CO -0.04 -0.72 1.18 0.00 0.00 0.00 0.00 175.76 176.18 2dxq s ALA 11 N -1.40 2.28 0.28 0.00 0.00 0.15 -4.83 121.76 118.24 2dxq s ALA 11 Ca 0.60 0.81 0.03 0.00 0.00 0.00 0.00 51.96 53.41 2dxq s ALA 11 Cb -0.33 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 2dxq s ALA 11 CO 0.41 -1.60 0.20 0.20 0.00 0.00 0.00 175.76 174.97 2dxq s GLY 12 N -2.11 1.95 0.34 0.00 0.00 -1.26 -4.91 107.32 101.34 2dxq s GLY 12 Ca 0.73 -1.88 0.12 0.00 0.00 0.00 0.00 44.72 43.68 2dxq s GLY 12 CO 0.42 -1.46 1.57 -2.55 0.00 0.00 0.00 173.10 171.08 2dxq h PRO 13 N 2.33 0.00 0.00 2.90 0.11 -1.98 -0.52 132.00 134.85 2dxq h PRO 13 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2dxq h PRO 13 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2dxq h PRO 13 CO 0.45 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.02 2dxq h GLY 14 N 0.00 0.00 1.30 -0.55 0.00 -2.02 -3.28 103.07 98.52 2dxq h GLY 14 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.06 2dxq h GLY 14 CO -0.85 0.00 -0.03 1.22 0.00 0.00 0.00 176.54 176.88 2dxq n ASP 15 N -2.53 0.12 -0.12 0.19 8.00 -0.20 -4.34 116.55 117.66 2dxq n ASP 15 Ca 0.02 -0.40 -0.04 0.00 0.71 0.00 0.00 54.79 55.07 2dxq n ASP 15 Cb 0.25 -0.18 0.03 0.00 -0.02 0.00 0.00 41.12 41.20 2dxq n ASP 15 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2dxq h LEU 16 N 0.15 -0.04 -0.68 0.64 5.85 -1.75 0.54 115.31 120.02 2dxq h LEU 16 Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2dxq h LEU 16 Cb 0.25 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2dxq h LEU 16 CO 0.00 0.01 0.37 -0.65 -0.34 0.00 0.00 178.44 177.84 2dxq h PRO 17 N 0.18 0.94 -0.66 5.25 0.11 -1.91 0.44 132.00 136.35 2dxq h PRO 17 Ca 0.20 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 66.14 2dxq h PRO 17 Cb 0.26 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 2dxq h PRO 17 CO -0.28 0.71 0.17 0.78 -0.21 0.00 0.00 178.00 179.16 2dxq h GLY 18 N 0.93 1.14 0.98 -0.55 0.00 -1.70 -0.61 103.07 103.26 2dxq h GLY 18 Ca 0.24 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 2dxq h GLY 18 CO -0.04 0.66 0.08 1.41 0.00 0.00 0.00 176.54 178.65 2dxq h LEU 19 N 0.98 0.78 -1.05 3.11 3.38 -0.76 -1.72 115.31 120.03 2dxq h LEU 19 Ca 0.21 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2dxq h LEU 19 Cb 0.36 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2dxq h LEU 19 CO 0.00 0.84 0.64 -0.07 0.09 0.00 0.00 178.44 179.94 2dxq h LEU 20 N 0.69 1.12 -0.17 1.67 3.38 -0.58 0.99 115.31 122.40 2dxq h LEU 20 Ca 0.15 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2dxq h LEU 20 Cb 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2dxq h LEU 20 CO 0.01 0.81 0.09 -0.08 0.09 0.00 0.00 178.44 179.35 2dxq h GLU 21 N 1.32 0.24 -0.47 1.13 4.81 -0.89 0.01 114.58 120.72 2dxq h GLU 21 Ca 0.36 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.58 2dxq h GLU 21 Cb -0.15 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 2dxq h GLU 21 CO -0.08 0.25 0.28 -0.07 -0.73 0.00 0.00 179.01 178.66 2dxq h LEU 22 N 0.16 0.45 -1.35 1.64 3.38 -1.03 -1.45 115.31 117.10 2dxq h LEU 22 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2dxq h LEU 22 Cb 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2dxq h LEU 22 CO -0.01 0.32 -0.32 1.88 0.09 0.00 0.00 178.44 180.40 2dxq h TYR 23 N 0.56 0.00 -0.16 1.13 0.05 -0.64 -1.01 116.97 116.89 2dxq h TYR 23 Ca 0.19 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.86 2dxq h TYR 23 Cb 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2dxq h TYR 23 CO -0.07 0.32 -0.37 0.37 -1.05 0.00 0.00 178.16 177.36 2dxq h GLN 24 N 0.00 0.34 -0.33 4.88 5.75 -0.53 -1.42 115.11 123.81 2dxq h GLN 24 Ca -0.00 -0.16 -0.08 0.00 -0.15 0.00 0.00 58.65 58.26 2dxq h GLN 24 Cb 0.61 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 2dxq h GLN 24 CO 0.04 0.67 -0.10 0.28 -2.65 0.00 0.00 178.83 177.07 2dxq h VAL 25 N 0.29 1.28 -0.35 2.39 2.07 -0.38 -2.75 116.25 118.80 2dxq h VAL 25 Ca 0.03 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 2dxq h VAL 25 Cb 0.79 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2dxq h VAL 25 CO 0.06 0.38 0.21 0.25 0.02 0.00 0.00 177.57 178.49 2dxq h LEU 26 N 0.43 0.43 -6.98 2.57 5.85 -1.10 -3.35 115.31 113.15 2dxq h LEU 26 Ca 0.08 -0.06 -0.62 0.00 0.84 0.00 0.00 57.88 58.12 2dxq h LEU 26 Cb 0.60 -0.11 -0.41 0.00 0.37 0.00 0.00 40.66 41.12 2dxq h LEU 26 CO 0.04 0.37 -0.69 0.20 -0.34 0.00 0.00 178.44 178.02 2dxq s ASN 27 N -5.60 3.91 0.63 1.25 0.01 -0.54 -4.97 114.94 109.62 2dxq s ASN 27 Ca -0.13 -3.36 0.36 0.00 -0.71 0.00 0.00 52.86 49.02 2dxq s ASN 27 Cb 0.10 -1.30 2.02 0.00 0.41 0.00 0.00 41.25 42.48 2dxq s ASN 27 CO 0.72 -0.16 2.22 1.55 -1.51 0.00 0.00 177.10 179.93 2dxq h PRO 28 N 5.85 0.00 0.00 -0.60 0.13 -1.63 -1.50 132.00 134.25 2dxq h PRO 28 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2dxq h PRO 28 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2dxq h PRO 28 CO 0.60 0.00 -0.11 0.77 -0.23 0.00 0.00 178.00 179.04 2dxq h SER 29 N 0.00 0.00 -3.51 1.44 0.02 -1.93 -3.47 113.55 106.10 2dxq h SER 29 Ca 0.02 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.43 2dxq h SER 29 Cb 0.21 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.83 2dxq h SER 29 CO -0.00 0.01 0.82 -1.81 -1.14 0.00 0.00 176.83 174.70 2dxq s ASP 30 N -5.59 6.47 0.38 3.07 1.01 -0.56 -4.97 116.67 116.47 2dxq s ASP 30 Ca 0.07 2.88 -0.28 0.00 0.71 0.00 0.00 52.55 55.93 2dxq s ASP 30 Cb 0.08 -2.64 -0.11 0.00 1.01 0.00 0.00 42.92 41.26 2dxq s ASP 30 CO 0.66 -0.83 1.48 -2.16 0.21 0.00 0.00 175.17 174.54 2dxq s PRO 31 N -0.89 4.11 0.64 8.23 0.04 -1.26 -4.96 135.00 140.91 2dxq s PRO 31 Ca 0.59 2.56 -0.18 0.00 0.04 0.00 0.00 61.00 64.02 2dxq s PRO 31 Cb -0.45 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 2dxq s PRO 31 CO 0.50 -0.53 1.25 -2.00 0.04 0.00 0.00 177.00 176.26 2dxq s GLU 32 N -2.10 2.67 -0.03 4.56 2.56 -1.26 -5.06 118.70 120.04 2dxq s GLU 32 Ca 0.53 1.92 0.01 0.00 0.00 0.00 0.00 54.97 57.43 2dxq s GLU 32 Cb -0.46 -1.88 0.02 0.00 2.00 0.00 0.00 34.13 33.80 2dxq s GLU 32 CO 0.63 -1.47 -0.05 -0.51 -0.56 0.00 0.00 175.26 173.30 2dxq s LEU 33 N -4.36 1.52 0.99 2.70 1.43 -1.26 -5.14 118.68 114.56 2dxq s LEU 33 Ca 0.79 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.60 2dxq s LEU 33 Cb -0.33 -0.43 0.21 0.00 0.03 0.00 0.00 46.19 45.67 2dxq s LEU 33 CO 0.38 -0.02 1.29 0.42 0.23 0.00 0.00 176.35 178.65 2dxq s THR 34 N 0.62 1.94 -1.08 5.49 -4.23 -1.26 -5.03 115.64 112.09 2dxq s THR 34 Ca -0.08 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.21 2dxq s THR 34 Cb -0.12 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.82 2dxq s THR 34 CO 0.00 0.00 0.69 0.41 -0.54 0.00 0.00 174.62 175.19 2dxq n THR 35 N -3.90 -4.00 -4.05 3.99 -1.04 -1.26 -4.45 114.28 99.57 2dxq n THR 35 Ca 0.15 -0.54 -0.10 0.00 -2.04 0.00 0.00 64.05 61.52 2dxq n THR 35 Cb 0.59 -3.17 -0.11 0.00 -1.82 0.00 0.00 70.33 65.83 2dxq n THR 35 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2dxq s GLN 36 N -6.31 0.50 3.12 -2.82 -0.21 -1.26 -5.01 119.66 107.67 2dxq s GLN 36 Ca 0.36 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.86 2dxq s GLN 36 Cb -0.17 -0.02 0.00 0.00 1.00 0.00 0.00 33.01 33.82 2dxq s GLN 36 CO 0.92 -0.03 0.00 0.39 -2.12 0.00 0.00 175.29 174.45 2dxq n GLU 37 N 1.03 0.00 0.00 2.91 -0.58 -1.26 -4.89 120.64 117.85 2dxq n GLU 37 Ca -0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 2dxq n GLU 37 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 2dxq n GLU 37 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dxq n ALA 38 N 4.12 0.00 0.18 0.62 0.00 -1.26 -4.07 120.51 120.10 2dxq n ALA 38 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2dxq n ALA 38 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 2dxq n ALA 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2dxq h GLY 39 N 0.00 0.00 0.90 0.00 0.00 -1.91 -2.68 103.07 99.39 2dxq h GLY 39 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2dxq h GLY 39 CO 0.00 0.00 0.09 0.00 0.00 0.00 0.00 176.54 176.63 2dxq h ALA 40 N 1.58 0.41 -0.20 3.60 0.00 -1.98 0.16 119.26 122.83 2dxq h ALA 40 Ca -0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2dxq h ALA 40 Cb 0.80 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2dxq h ALA 40 CO 0.06 0.06 -0.23 0.28 0.00 0.00 0.00 179.25 179.42 2dxq h VAL 41 N 0.35 1.33 -0.62 0.00 2.07 -1.88 -1.35 116.25 116.15 2dxq h VAL 41 Ca 0.10 -1.41 0.06 0.00 0.82 0.00 0.00 66.70 66.27 2dxq h VAL 41 Cb 0.27 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2dxq h VAL 41 CO -0.00 0.43 0.32 0.15 0.02 0.00 0.00 177.57 178.49 2dxq h PHE 42 N 0.18 0.58 -0.76 1.57 3.57 -1.46 0.06 116.94 120.68 2dxq h PHE 42 Ca 0.03 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.64 2dxq h PHE 42 Cb 0.79 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 2dxq h PHE 42 CO 0.08 0.26 0.42 0.00 -2.23 0.00 0.00 178.31 176.84 2dxq h ALA 43 N 1.34 1.06 0.00 2.41 0.00 -0.87 -1.71 119.26 121.49 2dxq h ALA 43 Ca 0.28 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2dxq h ALA 43 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2dxq h ALA 43 CO -0.20 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2dxq n ALA 44 N -2.38 1.26 0.00 0.00 0.00 0.01 -1.70 120.51 117.69 2dxq n ALA 44 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2dxq n ALA 44 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2dxq n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dxq n LEU 46 N 0.55 0.00 0.20 0.00 4.77 -0.65 -0.47 117.00 121.40 2dxq n LEU 46 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2dxq n LEU 46 Cb 0.03 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.35 2dxq n LEU 46 CO 0.00 0.00 0.83 0.00 -1.33 0.00 0.00 177.39 176.89 2dxq h ALA 47 N 0.00 1.00 -2.18 -1.18 0.00 -1.58 -3.46 119.26 111.86 2dxq h ALA 47 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2dxq h ALA 47 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2dxq h ALA 47 CO 0.00 0.00 1.13 -1.14 0.00 0.00 0.00 179.25 179.24 2dxq s GLN 48 N -3.20 3.99 0.30 0.00 2.00 0.38 -4.97 119.66 118.16 2dxq s GLN 48 Ca 0.08 2.03 -0.30 0.00 -2.00 0.00 0.00 55.36 55.17 2dxq s GLN 48 Cb 0.07 -4.04 -0.11 0.00 0.80 0.00 0.00 33.01 29.72 2dxq s GLN 48 CO 0.65 -1.08 1.60 -2.14 -0.50 0.00 0.00 175.29 173.83 2dxq s PRO 49 N 4.41 4.11 0.00 1.67 0.02 -1.26 -2.80 135.00 141.15 2dxq s PRO 49 Ca 0.75 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.37 2dxq s PRO 49 Cb -0.31 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.19 2dxq s PRO 49 CO 0.30 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 2dxq n GLY 50 N 2.11 2.46 3.73 0.52 0.00 -1.26 -4.91 105.19 107.85 2dxq n GLY 50 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2dxq n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dxq s LEU 51 N 0.00 4.23 -0.05 0.99 0.20 -1.12 -0.86 118.68 122.06 2dxq s LEU 51 Ca 0.00 0.37 0.01 0.00 0.69 0.00 0.00 54.13 55.20 2dxq s LEU 51 Cb 0.00 -2.22 0.02 0.00 -0.43 0.00 0.00 46.19 43.56 2dxq s LEU 51 CO 0.00 0.15 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.25 2dxq s THR 52 N 0.36 0.73 -0.40 3.68 2.01 -0.12 -4.89 115.64 117.00 2dxq s THR 52 Ca 0.12 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 61.71 2dxq s THR 52 Cb -0.12 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.68 2dxq s THR 52 CO 0.01 0.27 0.52 -0.63 -0.69 0.00 0.00 174.62 174.10 2dxq s ILE 53 N 0.88 4.99 0.09 1.82 1.01 -1.26 -0.44 121.20 128.29 2dxq s ILE 53 Ca -0.11 0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 2dxq s ILE 53 Cb -0.15 -4.06 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 2dxq s ILE 53 CO 0.01 -0.40 0.54 -0.36 0.00 0.00 0.00 174.94 174.73 2dxq s PHE 54 N 2.43 3.73 0.02 3.97 0.08 -0.08 0.33 117.98 128.45 2dxq s PHE 54 Ca 0.17 1.16 0.05 0.00 0.12 0.00 0.00 56.93 58.44 2dxq s PHE 54 Cb -0.16 -2.42 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 2dxq s PHE 54 CO 0.15 0.54 -0.15 0.14 -0.10 0.00 0.00 175.22 175.80 2dxq s VAL 55 N -1.23 1.19 -0.17 -0.44 -7.23 0.16 -2.18 120.40 110.50 2dxq s VAL 55 Ca 0.31 -0.88 -0.11 0.00 -1.81 0.00 0.00 61.98 59.49 2dxq s VAL 55 Cb -0.18 -1.04 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 2dxq s VAL 55 CO 0.18 0.15 0.21 0.00 -0.31 0.00 0.00 175.10 175.33 2dxq s ALA 56 N -0.65 3.67 0.04 1.32 0.00 -0.50 -1.69 121.76 123.95 2dxq s ALA 56 Ca 0.04 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.48 2dxq s ALA 56 Cb -0.07 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2dxq s ALA 56 CO 0.01 0.19 -0.12 0.95 0.00 0.00 0.00 175.76 176.79 2dxq s THR 57 N 0.22 3.26 -0.22 0.00 -4.23 -0.01 -0.67 115.64 113.99 2dxq s THR 57 Ca 0.13 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.61 2dxq s THR 57 Cb -0.12 -2.43 0.05 0.00 1.34 0.00 0.00 72.50 71.34 2dxq s THR 57 CO 0.02 0.31 -0.10 -0.70 -0.54 0.00 0.00 174.62 173.60 2dxq s GLU 58 N -1.61 2.10 -1.49 3.99 2.12 -0.08 -2.90 118.70 120.83 2dxq s GLU 58 Ca 0.17 -1.04 -0.02 0.00 0.36 0.00 0.00 54.97 54.44 2dxq s GLU 58 Cb -0.11 -2.62 0.02 0.00 0.26 0.00 0.00 34.13 31.68 2dxq s GLU 58 CO 0.08 -0.49 0.31 0.09 -0.54 0.00 0.00 175.26 174.71 2dxq n ASN 59 N 4.59 -0.15 0.00 -1.70 5.03 -1.26 -1.97 115.26 119.80 2dxq n ASN 59 Ca -0.14 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.20 2dxq n ASN 59 Cb 0.45 -2.52 0.00 0.00 -1.02 0.00 0.00 39.78 36.69 2dxq n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2dxq n GLY 60 N -2.12 2.86 3.71 7.41 0.00 -1.26 -5.04 105.19 110.75 2dxq n GLY 60 Ca -0.28 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2dxq n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dxq s LYS 61 N 0.00 4.39 0.01 1.61 2.20 -0.83 -4.94 119.74 122.17 2dxq s LYS 61 Ca 0.00 0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 56.12 2dxq s LYS 61 Cb 0.00 -3.47 -0.07 0.00 -1.51 0.00 0.00 37.83 32.78 2dxq s LYS 61 CO 0.00 0.02 1.70 -2.14 -0.36 0.00 0.00 175.35 174.56 2dxq s PRO 62 N 0.99 4.18 0.00 4.03 0.02 -1.26 -0.90 135.00 142.06 2dxq s PRO 62 Ca 0.35 2.31 0.05 0.00 0.02 0.00 0.00 61.00 63.73 2dxq s PRO 62 Cb -0.17 -3.86 -0.04 0.00 0.02 0.00 0.00 34.50 30.45 2dxq s PRO 62 CO 0.16 -0.81 0.26 1.33 -0.33 0.00 0.00 177.00 177.61 2dxq n VAL 63 N 5.19 0.00 -3.52 3.83 0.24 0.16 -4.94 118.33 119.28 2dxq n VAL 63 Ca 0.17 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.34 61.93 2dxq n VAL 63 Cb 0.42 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.75 2dxq n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dxq s ALA 64 N -1.37 -1.55 0.02 2.33 0.00 -1.19 -1.19 121.76 118.80 2dxq s ALA 64 Ca 0.02 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 2dxq s ALA 64 Cb 0.04 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.54 2dxq s ALA 64 CO 0.19 -0.51 0.35 -0.08 0.00 0.00 0.00 175.76 175.72 2dxq s THR 65 N -2.25 0.06 -0.10 0.00 -1.32 -0.07 -1.42 115.64 110.54 2dxq s THR 65 Ca -0.06 -0.51 -0.14 0.00 -1.21 0.00 0.00 61.69 59.77 2dxq s THR 65 Cb -0.01 -0.83 0.03 0.00 -1.51 0.00 0.00 72.50 70.19 2dxq s THR 65 CO 0.00 -0.28 0.36 0.00 -2.21 0.00 0.00 174.62 172.49 2dxq s ALA 66 N -2.02 -0.89 -0.18 11.08 0.00 -0.93 -2.05 121.76 126.78 2dxq s ALA 66 Ca -0.08 0.85 -0.07 0.00 0.00 0.00 0.00 51.96 52.65 2dxq s ALA 66 Cb -0.02 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2dxq s ALA 66 CO 0.00 -0.20 0.06 0.99 0.00 0.00 0.00 175.76 176.62 2dxq s THR 67 N -0.23 4.76 -0.17 0.00 2.01 0.32 -0.90 115.64 121.44 2dxq s THR 67 Ca -0.04 -0.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 2dxq s THR 67 Cb -0.03 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2dxq s THR 67 CO 0.02 0.46 0.05 -0.22 -0.69 0.00 0.00 174.62 174.24 2dxq s LEU 68 N 0.40 3.79 -0.25 4.42 2.96 0.42 -0.91 118.68 129.51 2dxq s LEU 68 Ca 0.03 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 2dxq s LEU 68 Cb -0.12 -1.94 0.04 0.00 0.50 0.00 0.00 46.19 44.66 2dxq s LEU 68 CO 0.00 0.21 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.39 2dxq s LEU 69 N 0.13 3.17 -0.21 -0.68 1.43 0.22 -0.95 118.68 121.80 2dxq s LEU 69 Ca 0.04 -1.07 -0.09 0.00 -1.03 0.00 0.00 54.13 51.98 2dxq s LEU 69 Cb -0.12 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 2dxq s LEU 69 CO 0.01 -0.14 0.12 -0.63 0.23 0.00 0.00 176.35 175.93 2dxq s ILE 70 N 1.23 5.22 -0.11 -0.59 1.01 -0.04 -0.83 121.20 127.09 2dxq s ILE 70 Ca -0.03 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.78 2dxq s ILE 70 Cb -0.18 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.91 2dxq s ILE 70 CO -0.06 0.42 -0.23 -0.69 0.00 0.00 0.00 174.94 174.38 2dxq s VAL 71 N 0.57 2.08 0.58 2.92 1.01 0.68 -4.59 120.40 123.64 2dxq s VAL 71 Ca 0.07 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 2dxq s VAL 71 Cb -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2dxq s VAL 71 CO 0.00 0.56 1.12 -2.16 0.00 0.00 0.00 175.10 174.62 2dxq s PRO 72 N 0.47 3.17 -0.16 2.72 0.04 -1.26 -2.50 135.00 137.48 2dxq s PRO 72 Ca -0.16 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.14 2dxq s PRO 72 Cb -0.17 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.46 2dxq s PRO 72 CO 0.06 -0.98 0.77 1.21 0.04 0.00 0.00 177.00 178.10 2dxq s ASN 73 N -2.05 -0.63 -0.02 6.66 2.47 -1.26 -4.90 114.94 115.21 2dxq s ASN 73 Ca 0.71 0.94 0.20 0.00 0.42 0.00 0.00 52.86 55.12 2dxq s ASN 73 Cb -0.23 0.85 -0.29 0.00 -1.45 0.00 0.00 41.25 40.14 2dxq s ASN 73 CO 0.32 -0.41 0.51 0.18 -3.72 0.00 0.00 177.10 173.98 2dxq n LEU 74 N 1.62 0.18 -4.81 3.21 4.77 -1.26 -3.93 117.00 116.77 2dxq n LEU 74 Ca -0.15 -0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.44 2dxq n LEU 74 Cb 0.56 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.80 2dxq n LEU 74 CO 0.14 0.04 0.74 0.42 -1.33 0.00 0.00 177.39 177.40 2dxq s THR 75 N -3.26 1.97 -1.33 -5.08 -4.23 -1.26 -2.61 115.64 99.83 2dxq s THR 75 Ca -0.04 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.43 2dxq s THR 75 Cb 0.13 -2.80 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 2dxq s THR 75 CO 0.81 0.00 0.55 0.54 -0.54 0.00 0.00 174.62 175.99 2dxq n ARG 76 N -3.78 -3.31 -2.65 3.99 3.00 -1.26 -1.24 116.66 111.42 2dxq n ARG 76 Ca 0.08 0.47 -0.19 0.00 -0.01 0.00 0.00 57.85 58.20 2dxq n ARG 76 Cb 0.60 -4.61 0.01 0.00 0.00 0.00 0.00 32.46 28.45 2dxq n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dxq n ALA 77 N -4.33 -0.71 -2.90 7.54 0.00 -1.26 -2.40 120.51 116.44 2dxq n ALA 77 Ca -0.27 0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 2dxq n ALA 77 Cb 0.67 -2.80 0.02 0.00 0.00 0.00 0.00 19.45 17.34 2dxq n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dxq n ALA 78 N -2.64 -0.91 -1.85 0.00 0.00 -0.37 -5.00 120.51 109.74 2dxq n ALA 78 Ca -0.16 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 2dxq n ALA 78 Cb 0.64 -3.38 -0.06 0.00 0.00 0.00 0.00 19.45 16.65 2dxq n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dxq s ARG 79 N -5.58 4.69 0.86 0.00 0.52 -1.01 -4.69 118.95 113.75 2dxq s ARG 79 Ca 0.24 1.33 -0.12 0.00 -0.52 0.00 0.00 55.73 56.66 2dxq s ARG 79 Cb -0.11 -3.17 0.11 0.00 0.52 0.00 0.00 34.95 32.30 2dxq s ARG 79 CO 0.30 0.49 1.11 -1.25 0.02 0.00 0.00 175.30 175.96 2dxq s PRO 80 N -1.36 1.54 0.28 3.54 0.04 -1.26 -4.51 135.00 133.27 2dxq s PRO 80 Ca 0.41 0.58 0.02 0.00 0.04 0.00 0.00 61.00 62.05 2dxq s PRO 80 Cb -0.23 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2dxq s PRO 80 CO 0.28 -1.98 0.08 1.52 0.04 0.00 0.00 177.00 176.94 2dxq s TYR 81 N -3.12 1.67 0.06 0.56 1.13 -1.04 -1.89 117.35 114.71 2dxq s TYR 81 Ca 0.62 -1.11 0.01 0.00 -1.41 0.00 0.00 57.07 55.18 2dxq s TYR 81 Cb -0.16 -1.02 -0.03 0.00 -1.10 0.00 0.00 41.96 39.65 2dxq s TYR 81 CO 0.55 -0.23 -0.06 0.00 -2.51 0.00 0.00 175.55 173.30 2dxq s ALA 82 N -3.61 0.59 0.16 9.51 0.00 -0.74 -0.23 121.76 127.43 2dxq s ALA 82 Ca 0.37 -0.99 0.11 0.00 0.00 0.00 0.00 51.96 51.45 2dxq s ALA 82 Cb 0.08 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2dxq s ALA 82 CO 0.14 -0.18 -0.23 -0.06 0.00 0.00 0.00 175.76 175.43 2dxq s PHE 83 N -2.54 2.35 -0.07 0.00 0.08 -0.01 -4.27 117.98 113.52 2dxq s PHE 83 Ca -0.01 -0.35 0.04 0.00 0.12 0.00 0.00 56.93 56.73 2dxq s PHE 83 Cb -0.02 -1.22 -0.01 0.00 -0.57 0.00 0.00 43.02 41.20 2dxq s PHE 83 CO -0.03 0.43 -0.21 0.42 -0.10 0.00 0.00 175.22 175.72 2dxq s ILE 84 N -1.38 2.39 0.13 0.64 1.01 -1.26 -0.61 121.20 122.12 2dxq s ILE 84 Ca 0.18 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2dxq s ILE 84 Cb -0.09 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2dxq s ILE 84 CO 0.09 0.56 -0.01 -1.61 0.00 0.00 0.00 174.94 173.97 2dxq s GLU 85 N -0.12 0.93 -1.14 2.79 0.41 -0.09 -4.58 118.70 116.91 2dxq s GLU 85 Ca -0.04 -1.42 -0.20 0.00 -0.41 0.00 0.00 54.97 52.91 2dxq s GLU 85 Cb -0.14 -0.10 -0.01 0.00 -1.78 0.00 0.00 34.13 32.10 2dxq s GLU 85 CO 0.04 -0.12 0.80 0.09 -0.49 0.00 0.00 175.26 175.58 2dxq n ASN 86 N -0.11 -5.33 -4.63 -0.19 3.02 -1.26 -0.52 115.26 106.24 2dxq n ASN 86 Ca -0.09 -0.99 -0.40 0.00 -0.03 0.00 0.00 54.58 53.07 2dxq n ASN 86 Cb 0.62 -3.51 -0.08 0.00 -0.61 0.00 0.00 39.78 36.21 2dxq n ASN 86 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2dxq s VAL 87 N -3.47 5.10 -0.08 2.41 1.01 -1.26 -4.18 120.40 119.93 2dxq s VAL 87 Ca 0.47 0.85 -0.21 0.00 0.00 0.00 0.00 61.98 63.08 2dxq s VAL 87 Cb -0.16 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.46 2dxq s VAL 87 CO 0.85 0.12 0.49 0.54 0.00 0.00 0.00 175.10 177.11 2dxq s VAL 88 N 2.07 0.02 -0.01 2.92 0.11 -0.87 -5.01 120.40 119.63 2dxq s VAL 88 Ca 0.21 -0.17 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 2dxq s VAL 88 Cb -0.16 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2dxq s VAL 88 CO 0.09 -0.09 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.65 2dxq s THR 89 N -0.77 1.78 0.30 5.04 2.01 -1.26 -0.89 115.64 121.85 2dxq s THR 89 Ca -0.08 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 60.64 2dxq s THR 89 Cb -0.03 -1.48 -0.13 0.00 0.01 0.00 0.00 72.50 70.87 2dxq s THR 89 CO 0.05 0.48 1.29 0.18 -0.69 0.00 0.00 174.62 175.93 2dxq n LEU 90 N 2.46 3.22 -0.17 4.42 4.77 -0.33 -4.86 117.00 126.51 2dxq n LEU 90 Ca -0.16 1.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.99 2dxq n LEU 90 Cb 0.52 -1.45 0.07 0.00 -2.33 0.00 0.00 43.42 40.24 2dxq n LEU 90 CO 0.23 -0.59 0.86 -0.08 -1.33 0.00 0.00 177.39 176.48 2dxq h GLU 91 N 2.99 0.14 0.00 3.23 4.22 -1.99 -1.06 114.58 122.11 2dxq h GLU 91 Ca -0.45 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 2dxq h GLU 91 Cb 1.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2dxq h GLU 91 CO 0.66 0.09 0.00 0.00 -2.18 0.00 0.00 179.01 177.58 2dxq n ALA 92 N -2.66 1.31 0.56 2.92 0.00 -1.26 -2.07 120.51 119.30 2dxq n ALA 92 Ca 0.06 0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.70 2dxq n ALA 92 Cb 0.28 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.48 2dxq n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dxq n ARG 93 N -2.16 0.99 -2.24 0.00 5.12 -0.41 -5.03 116.66 112.93 2dxq n ARG 93 Ca 0.00 -1.36 -0.36 0.00 -1.93 0.00 0.00 57.85 54.21 2dxq n ARG 93 Cb 0.11 -1.27 -0.00 0.00 -1.16 0.00 0.00 32.46 30.14 2dxq n ARG 93 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2dxq s ARG 94 N -1.16 3.51 0.00 5.56 0.52 -0.88 -3.39 118.95 123.12 2dxq s ARG 94 Ca 0.17 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 57.08 2dxq s ARG 94 Cb 0.12 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.40 2dxq s ARG 94 CO 0.17 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 175.17 2dxq n GLY 95 N 0.31 0.70 0.75 -3.53 0.00 -1.26 -4.90 105.19 97.26 2dxq n GLY 95 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 2dxq n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dxq n ARG 96 N -2.52 1.68 -0.56 1.61 1.74 -1.22 -4.98 116.66 112.41 2dxq n ARG 96 Ca 0.00 -1.70 0.00 0.00 -0.77 0.00 0.00 57.85 55.38 2dxq n ARG 96 Cb 0.00 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2dxq n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dxq n GLY 97 N 0.99 0.77 0.10 -0.13 0.00 -1.26 -4.96 105.19 100.70 2dxq n GLY 97 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 2dxq n GLY 97 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2dxq h TYR 98 N 0.00 0.18 -0.33 1.61 0.05 -1.94 0.68 116.97 117.23 2dxq h TYR 98 Ca 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2dxq h TYR 98 Cb 0.00 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 2dxq h TYR 98 CO 0.00 0.11 0.12 0.78 -1.05 0.00 0.00 178.16 178.11 2dxq h GLY 99 N 0.20 0.54 0.98 3.88 0.00 -1.92 -1.21 103.07 105.53 2dxq h GLY 99 Ca 0.07 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.11 2dxq h GLY 99 CO -0.04 0.29 0.45 -0.09 0.00 0.00 0.00 176.54 177.15 2dxq h ARG 100 N 0.38 0.90 -0.42 4.80 2.43 -1.95 -1.38 114.38 119.14 2dxq h ARG 100 Ca 0.11 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2dxq h ARG 100 Cb 0.22 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2dxq h ARG 100 CO -0.01 0.59 0.20 1.15 -1.51 0.00 0.00 179.97 180.40 2dxq h THR 101 N 0.92 1.17 -0.46 0.20 2.02 -0.60 -0.04 112.91 116.12 2dxq h THR 101 Ca 0.26 -0.49 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 2dxq h THR 101 Cb -0.08 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2dxq h THR 101 CO -0.07 0.19 -0.12 1.62 0.37 0.00 0.00 175.52 177.51 2dxq h VAL 102 N 0.53 1.27 -0.17 3.16 3.04 -1.07 -0.31 116.25 122.71 2dxq h VAL 102 Ca 0.14 -1.24 -0.01 0.00 -1.01 0.00 0.00 66.70 64.58 2dxq h VAL 102 Cb 0.11 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 2dxq h VAL 102 CO -0.02 0.43 0.08 0.58 -1.01 0.00 0.00 177.57 177.62 2dxq h VAL 103 N 0.73 1.14 -0.70 1.51 2.07 -1.13 -1.45 116.25 118.42 2dxq h VAL 103 Ca 0.12 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2dxq h VAL 103 Cb 0.67 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2dxq h VAL 103 CO 0.05 0.14 0.36 0.03 0.02 0.00 0.00 177.57 178.16 2dxq h ARG 104 N 0.14 0.98 -0.55 1.57 2.47 -0.94 -0.56 114.38 117.49 2dxq h ARG 104 Ca 0.06 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2dxq h ARG 104 Cb 0.15 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 2dxq h ARG 104 CO -0.01 0.74 0.29 1.25 0.56 0.00 0.00 179.97 182.81 2dxq h HIS 105 N 0.98 0.77 -0.27 3.04 2.76 -0.87 -0.62 115.15 120.94 2dxq h HIS 105 Ca 0.24 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2dxq h HIS 105 Cb 0.07 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 2dxq h HIS 105 CO 0.01 0.57 0.18 0.00 -1.30 0.00 0.00 177.93 177.39 2dxq h ALA 106 N 1.13 0.34 -0.35 5.26 0.00 -0.59 -0.31 119.26 124.73 2dxq h ALA 106 Ca 0.19 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2dxq h ALA 106 Cb 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2dxq h ALA 106 CO -0.03 -0.18 0.13 0.82 0.00 0.00 0.00 179.25 179.99 2dxq h ILE 107 N 0.36 0.92 -0.51 0.00 2.04 -0.94 -1.22 117.51 118.15 2dxq h ILE 107 Ca 0.10 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2dxq h ILE 107 Cb -0.03 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2dxq h ILE 107 CO -0.02 0.05 0.03 -0.33 0.00 0.00 0.00 178.15 177.88 2dxq h GLU 108 N 0.29 0.84 -0.31 2.37 5.08 -0.86 -0.22 114.58 121.76 2dxq h GLU 108 Ca 0.16 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2dxq h GLU 108 Cb 0.12 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2dxq h GLU 108 CO -0.15 0.82 0.18 1.15 -1.00 0.00 0.00 179.01 180.01 2dxq h THR 109 N 0.78 1.12 -0.19 1.13 2.02 -0.80 0.04 112.91 117.02 2dxq h THR 109 Ca 0.16 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 2dxq h THR 109 Cb 0.44 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2dxq h THR 109 CO 0.02 0.12 0.11 0.00 0.37 0.00 0.00 175.52 176.14 2dxq h ALA 110 N 1.06 0.24 -0.35 6.16 0.00 -0.67 -2.12 119.26 123.57 2dxq h ALA 110 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2dxq h ALA 110 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2dxq h ALA 110 CO -0.02 -0.24 -0.01 0.74 0.00 0.00 0.00 179.25 179.72 2dxq h PHE 111 N 0.21 0.57 0.00 0.00 0.04 -0.95 -1.41 116.94 115.40 2dxq h PHE 111 Ca 0.07 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 2dxq h PHE 111 Cb 0.04 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.02 2dxq h PHE 111 CO -0.05 0.56 -0.09 0.78 -0.60 0.00 0.00 178.31 178.91 2dxq h GLY 112 N 0.86 0.00 -1.37 -1.45 0.00 -0.68 -0.90 103.07 99.53 2dxq h GLY 112 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2dxq h GLY 112 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2dxq n ALA 113 N -2.39 2.59 -1.60 3.60 0.00 -0.58 -4.92 120.51 117.20 2dxq n ALA 113 Ca -0.02 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 2dxq n ALA 113 Cb 0.18 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 2dxq n ALA 113 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2dxq n ASN 114 N 0.40 -4.37 -4.77 0.00 5.15 -0.34 -4.80 115.26 106.54 2dxq n ASN 114 Ca 0.11 0.23 -0.41 0.00 -0.60 0.00 0.00 54.58 53.90 2dxq n ASN 114 Cb 0.35 -3.14 -0.01 0.00 -0.53 0.00 0.00 39.78 36.45 2dxq n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dxq h TYR 116 N 3.82 0.00 -2.95 0.00 -0.00 -1.69 -3.42 116.97 112.73 2dxq h TYR 116 Ca -0.49 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.15 2dxq h TYR 116 Cb 1.23 0.00 -0.18 0.00 -0.00 0.00 0.00 36.73 37.78 2dxq h TYR 116 CO 0.56 0.00 -0.13 -1.59 -0.00 0.00 0.00 178.16 177.00 2dxq s LYS 117 N -3.23 0.87 0.24 0.10 -2.85 -1.26 -5.11 119.74 108.50 2dxq s LYS 117 Ca 0.04 -0.27 0.05 0.00 -1.00 0.00 0.00 55.97 54.80 2dxq s LYS 117 Cb 0.11 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 2dxq s LYS 117 CO 0.73 -0.28 -0.05 0.08 0.10 0.00 0.00 175.35 175.93 2dxq s VAL 118 N -2.08 1.36 0.00 1.79 1.01 -1.26 -1.79 120.40 119.43 2dxq s VAL 118 Ca -0.08 -2.09 0.00 0.00 0.00 0.00 0.00 61.98 59.81 2dxq s VAL 118 Cb -0.02 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2dxq s VAL 118 CO 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 175.10 174.72 2dxq n LEU 120 N -0.46 0.00 -4.41 3.92 -0.00 -1.26 -4.98 117.00 109.81 2dxq n LEU 120 Ca -0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.62 2dxq n LEU 120 Cb 0.63 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.91 2dxq n LEU 120 CO 0.37 0.00 -0.47 -0.76 -0.00 0.00 0.00 177.39 176.53 2dxq s LEU 121 N 0.00 2.63 0.28 1.47 1.02 -1.26 -5.05 118.68 117.76 2dxq s LEU 121 Ca 0.00 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 53.89 2dxq s LEU 121 Cb 0.00 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 2dxq s LEU 121 CO 0.00 0.28 0.15 0.28 0.02 0.00 0.00 176.35 177.08 2dxq s THR 122 N -0.32 0.26 0.64 5.49 -1.32 -1.26 -5.04 115.64 114.08 2dxq s THR 122 Ca 0.03 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.32 2dxq s THR 122 Cb -0.13 -2.53 -0.02 0.00 -1.51 0.00 0.00 72.50 68.32 2dxq s THR 122 CO 0.02 0.00 1.29 -0.83 -2.21 0.00 0.00 174.62 172.90 2dxq s GLY 123 N -3.32 2.86 0.52 6.08 0.00 -1.26 -4.98 107.32 107.22 2dxq s GLY 123 Ca 0.37 1.21 -0.15 0.00 0.00 0.00 0.00 44.72 46.15 2dxq s GLY 123 CO 0.17 1.65 0.98 1.09 0.00 0.00 0.00 173.10 176.98 2dxq s ARG 124 N -3.34 3.88 -1.40 2.90 1.70 -1.26 -4.29 118.95 117.14 2dxq s ARG 124 Ca 0.81 0.89 -0.09 0.00 -0.47 0.00 0.00 55.73 56.87 2dxq s ARG 124 Cb -0.37 -2.14 0.04 0.00 -0.57 0.00 0.00 34.95 31.90 2dxq s ARG 124 CO 0.40 -0.30 1.05 0.72 -1.08 0.00 0.00 175.30 176.08 2dxq n HIS 125 N -1.75 -2.51 -3.98 5.89 8.25 -1.26 -4.95 115.22 114.91 2dxq n HIS 125 Ca 0.06 0.95 -0.31 0.00 -0.26 0.00 0.00 57.72 58.17 2dxq n HIS 125 Cb 0.54 -4.61 -0.14 0.00 1.12 0.00 0.00 29.99 26.90 2dxq n HIS 125 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2dxq s ASP 126 N -3.54 4.55 0.24 0.41 -1.08 -1.26 -5.00 116.67 111.00 2dxq s ASP 126 Ca 0.49 -2.59 -0.06 0.00 -0.52 0.00 0.00 52.55 49.87 2dxq s ASP 126 Cb -0.23 -1.64 0.24 0.00 -1.46 0.00 0.00 42.92 39.83 2dxq s ASP 126 CO 0.77 -0.31 1.85 1.55 0.52 0.00 0.00 175.17 179.56 2dxq h PRO 127 N 7.06 1.20 -0.23 4.34 0.13 -1.96 -1.00 132.00 141.53 2dxq h PRO 127 Ca -0.06 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 64.89 2dxq h PRO 127 Cb 0.96 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2dxq h PRO 127 CO 0.61 0.90 0.03 0.00 -0.23 0.00 0.00 178.00 179.30 2dxq h ALA 128 N 1.28 0.31 -0.52 -0.56 0.00 -1.99 -1.57 119.26 116.21 2dxq h ALA 128 Ca 0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2dxq h ALA 128 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2dxq h ALA 128 CO -0.04 0.00 0.14 0.28 0.00 0.00 0.00 179.25 179.63 2dxq h VAL 129 N 0.19 1.24 -0.40 0.00 2.07 -1.95 -1.32 116.25 116.07 2dxq h VAL 129 Ca 0.07 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 2dxq h VAL 129 Cb 0.35 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2dxq h VAL 129 CO 0.01 0.30 -0.17 0.45 0.02 0.00 0.00 177.57 178.17 2dxq h HIS 130 N 0.71 0.85 -0.58 1.57 3.86 -1.14 -1.40 115.15 119.03 2dxq h HIS 130 Ca 0.16 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 2dxq h HIS 130 Cb 0.31 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2dxq h HIS 130 CO 0.02 0.88 0.08 0.00 0.86 0.00 0.00 177.93 179.76 2dxq h ALA 131 N 1.13 1.05 0.18 2.45 0.00 -1.18 -0.97 119.26 121.93 2dxq h ALA 131 Ca 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2dxq h ALA 131 Cb 0.66 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2dxq h ALA 131 CO 0.05 0.61 -0.11 0.35 0.00 0.00 0.00 179.25 180.14 2dxq h PHE 132 N 0.88 -0.29 -0.63 0.00 3.57 -0.80 -0.54 116.94 119.13 2dxq h PHE 132 Ca 0.18 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2dxq h PHE 132 Cb 0.41 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 2dxq h PHE 132 CO 0.03 -0.18 0.21 1.88 -2.23 0.00 0.00 178.31 178.01 2dxq h TYR 133 N -0.28 0.97 -0.87 0.41 0.05 -1.05 -1.31 116.97 114.89 2dxq h TYR 133 Ca -0.02 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.69 2dxq h TYR 133 Cb 0.24 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.65 2dxq h TYR 133 CO -0.09 0.77 0.57 1.49 -1.05 0.00 0.00 178.16 179.86 2dxq h GLU 134 N 0.92 1.14 0.00 4.88 4.81 -0.99 -1.82 114.58 123.52 2dxq h GLU 134 Ca 0.21 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2dxq h GLU 134 Cb 0.25 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 2dxq h GLU 134 CO -0.01 0.75 -0.04 0.66 -0.73 0.00 0.00 179.01 179.65 2dxq h SER 135 N 1.17 0.00 0.34 1.04 4.64 0.03 -0.80 113.55 119.97 2dxq h SER 135 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2dxq h SER 135 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2dxq h SER 135 CO -0.07 0.04 -0.17 0.00 -0.87 0.00 0.00 176.83 175.75 2dxq n GLY 137 N 1.32 0.82 3.79 0.00 0.00 -0.31 -4.90 105.19 105.90 2dxq n GLY 137 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2dxq n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dxq s PHE 138 N -2.00 3.41 -0.09 1.61 0.08 -0.76 -5.00 117.98 115.22 2dxq s PHE 138 Ca 0.00 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.74 2dxq s PHE 138 Cb 0.00 -3.02 -0.03 0.00 -0.57 0.00 0.00 43.02 39.41 2dxq s PHE 138 CO 0.00 -0.28 -0.09 0.08 -0.10 0.00 0.00 175.22 174.83 2dxq s VAL 139 N -1.73 3.48 -1.27 -0.44 1.01 -1.26 -4.21 120.40 115.98 2dxq s VAL 139 Ca 0.56 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2dxq s VAL 139 Cb -0.19 -2.44 0.14 0.00 0.00 0.00 0.00 36.38 33.89 2dxq s VAL 139 CO 0.24 0.56 1.67 1.67 0.00 0.00 0.00 175.10 179.24 2dxq n GLN 140 N 2.76 3.35 -0.34 2.72 0.00 -1.26 -4.58 117.38 120.03 2dxq n GLN 140 Ca -0.18 -3.55 0.04 0.00 -0.00 0.00 0.00 57.00 53.31 2dxq n GLN 140 Cb 0.53 -3.13 0.06 0.00 0.00 0.00 0.00 30.24 27.69 2dxq n GLN 140 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2dxq n ASN 141 N 5.84 0.93 -4.17 1.69 0.23 -1.26 -5.02 115.26 113.50 2dxq n ASN 141 Ca 0.41 -2.43 -0.26 0.00 -0.53 0.00 0.00 54.58 51.77 2dxq n ASN 141 Cb 0.42 -0.29 -0.16 0.00 -2.08 0.00 0.00 39.78 37.67 2dxq n ASN 141 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2dxq s LYS 142 N -1.14 1.67 -0.10 -3.83 -0.14 -1.26 -5.13 119.74 109.81 2dxq s LYS 142 Ca 0.13 -0.65 -0.20 0.00 -1.36 0.00 0.00 55.97 53.89 2dxq s LYS 142 Cb 0.11 -1.53 -0.04 0.00 -1.68 0.00 0.00 37.83 34.69 2dxq s LYS 142 CO 0.01 0.33 0.55 0.99 -0.76 0.00 0.00 175.35 176.47 2dxq s THR 143 N -0.23 5.14 -0.11 2.17 2.01 -1.26 -5.06 115.64 118.31 2dxq s THR 143 Ca 0.02 1.10 -0.10 0.00 0.31 0.00 0.00 61.69 63.03 2dxq s THR 143 Cb -0.09 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 2dxq s THR 143 CO 0.01 0.31 0.21 -0.83 -0.69 0.00 0.00 174.62 173.62 2dxq s GLY 144 N 0.65 2.21 0.07 4.40 0.00 -1.26 -5.10 107.32 108.29 2dxq s GLY 144 Ca 0.29 -0.54 0.06 0.00 0.00 0.00 0.00 44.72 44.53 2dxq s GLY 144 CO 0.13 -0.12 -0.15 -1.36 0.00 0.00 0.00 173.10 171.60 2dxq s PHE 145 N -0.69 1.32 -0.02 1.90 0.08 -1.26 -5.16 117.98 114.15 2dxq s PHE 145 Ca 0.16 -0.42 -0.16 0.00 0.12 0.00 0.00 56.93 56.62 2dxq s PHE 145 Cb -0.13 -0.75 0.03 0.00 -0.57 0.00 0.00 43.02 41.60 2dxq s PHE 145 CO 0.05 0.07 0.35 -1.14 -0.10 0.00 0.00 175.22 174.46 2dxq s GLN 146 N -1.60 0.70 0.01 0.44 0.74 -1.26 -5.15 119.66 113.54 2dxq s GLN 146 Ca 0.00 -0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.32 2dxq s GLN 146 Cb -0.09 0.31 -0.01 0.00 1.10 0.00 0.00 33.01 34.32 2dxq s GLN 146 CO 0.02 -0.19 -0.09 -1.50 -0.55 0.00 0.00 175.29 172.98 2dxq s ILE 147 N -1.26 0.69 0.19 -2.34 2.07 -1.26 -5.16 121.20 114.13 2dxq s ILE 147 Ca -0.13 -0.56 0.09 0.00 -1.41 0.00 0.00 60.65 58.64 2dxq s ILE 147 Cb -0.05 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 2dxq s ILE 147 CO 0.05 0.06 -0.18 -0.13 -1.91 0.00 0.00 174.94 172.83 2dxq s ARG 148 N -0.56 1.36 0.00 3.50 0.52 -1.26 -5.38 118.95 117.13 2dxq s ARG 148 Ca 0.01 -1.52 0.00 0.00 -0.52 0.00 0.00 55.73 53.70 2dxq s ARG 148 Cb -0.05 -1.35 0.00 0.00 0.52 0.00 0.00 34.95 34.07 2dxq s ARG 148 CO 0.00 0.26 0.33 0.00 0.02 0.00 0.00 175.30 175.91