#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwd s ALA 23 N 0.00 1.60 0.08 -1.46 0.00 -1.26 -4.85 121.76 115.88 2dwd s ALA 23 Ca 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 2dwd s ALA 23 Cb 0.00 -3.23 -0.16 0.00 0.00 0.00 0.00 23.12 19.73 2dwd s ALA 23 CO 0.00 -2.33 1.70 1.25 0.00 0.00 0.00 175.76 176.38 2dwd h LEU 24 N -1.53 -0.15 -1.94 0.00 5.85 -2.04 -2.31 115.31 113.20 2dwd h LEU 24 Ca -0.48 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.35 2dwd h LEU 24 Cb 1.27 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 2dwd h LEU 24 CO 0.53 -0.09 0.33 1.12 -0.34 0.00 0.00 178.44 179.98 2dwd h HIS 25 N -0.19 0.07 0.14 1.25 2.07 -1.94 0.78 115.15 117.32 2dwd h HIS 25 Ca -0.02 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.22 2dwd h HIS 25 Cb 0.15 -0.02 0.01 0.00 2.57 0.00 0.00 27.41 30.11 2dwd h HIS 25 CO -0.06 0.03 -1.30 -1.49 -3.07 0.00 0.00 177.93 172.04 2dwd h TRP 26 N 0.07 0.52 -0.42 6.12 -0.00 -1.88 -1.89 115.95 118.47 2dwd h TRP 26 Ca 0.22 -0.38 -0.09 0.00 -0.00 0.00 0.00 58.89 58.64 2dwd h TRP 26 Cb 0.78 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.91 2dwd h TRP 26 CO -0.00 1.31 -0.13 0.00 -0.00 0.00 0.00 178.44 179.62 2dwd h ARG 27 N 0.08 0.75 -0.28 0.49 3.08 -0.63 -1.48 114.38 116.40 2dwd h ARG 27 Ca -0.16 -0.26 -0.17 0.00 0.07 0.00 0.00 59.98 59.46 2dwd h ARG 27 Cb 1.99 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.98 2dwd h ARG 27 CO 0.20 0.85 -0.51 0.00 -1.07 0.00 0.00 179.97 179.44 2dwd h ALA 28 N 1.18 0.56 -0.35 0.04 0.00 -0.93 -0.31 119.26 119.44 2dwd h ALA 28 Ca 0.11 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2dwd h ALA 28 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2dwd h ALA 28 CO 0.04 0.68 0.21 0.00 0.00 0.00 0.00 179.25 180.18 2dwd h ALA 29 N 0.80 0.45 0.41 0.00 0.00 -1.09 0.38 119.26 120.22 2dwd h ALA 29 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2dwd h ALA 29 Cb 1.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2dwd h ALA 29 CO 0.11 -0.04 -0.20 0.78 0.00 0.00 0.00 179.25 179.90 2dwd h GLY 30 N 0.46 -0.58 0.05 0.00 0.00 -1.17 -0.51 103.07 101.31 2dwd h GLY 30 Ca 0.13 0.22 0.16 0.00 0.00 0.00 0.00 47.33 47.83 2dwd h GLY 30 CO -0.02 -0.21 0.29 0.00 0.00 0.00 0.00 176.54 176.59 2dwd h ALA 31 N -0.15 1.09 -0.64 3.60 0.00 -0.89 0.20 119.26 122.47 2dwd h ALA 31 Ca -0.06 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dwd h ALA 31 Cb 0.49 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2dwd h ALA 31 CO 0.09 -0.26 0.42 0.00 0.00 0.00 0.00 179.25 179.51 2dwd h ALA 32 N 1.58 0.81 -0.21 0.00 0.00 0.12 -0.58 119.26 120.99 2dwd h ALA 32 Ca 0.44 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2dwd h ALA 32 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2dwd h ALA 32 CO -0.45 0.23 0.01 1.15 0.00 0.00 0.00 179.25 180.19 2dwd h THR 33 N 0.86 1.25 -0.46 0.00 2.02 0.64 0.33 112.91 117.54 2dwd h THR 33 Ca 0.24 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.60 2dwd h THR 33 Cb -0.09 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2dwd h THR 33 CO -0.06 0.26 0.28 0.58 0.37 0.00 0.00 175.52 176.95 2dwd h VAL 34 N 0.13 1.05 -0.35 3.16 2.07 -0.96 -1.59 116.25 119.76 2dwd h VAL 34 Ca 0.06 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2dwd h VAL 34 Cb 0.38 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2dwd h VAL 34 CO 0.01 0.10 0.15 0.25 0.02 0.00 0.00 177.57 178.10 2dwd h LEU 35 N 0.56 0.48 -1.25 2.57 5.85 -0.97 -1.90 115.31 120.66 2dwd h LEU 35 Ca 0.18 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2dwd h LEU 35 Cb 0.01 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2dwd h LEU 35 CO -0.08 0.50 0.54 0.25 -0.34 0.00 0.00 178.44 179.31 2dwd h LEU 36 N 0.42 0.81 -0.99 2.25 5.85 -0.68 0.50 115.31 123.47 2dwd h LEU 36 Ca 0.12 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 2dwd h LEU 36 Cb 0.17 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2dwd h LEU 36 CO -0.01 0.53 -0.39 0.58 -0.34 0.00 0.00 178.44 178.82 2dwd h VAL 37 N 0.93 1.30 -0.08 1.05 2.07 -0.82 0.32 116.25 121.03 2dwd h VAL 37 Ca 0.35 -1.45 -0.17 0.00 0.82 0.00 0.00 66.70 66.25 2dwd h VAL 37 Cb 0.17 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2dwd h VAL 37 CO -0.12 0.43 -0.67 0.40 0.02 0.00 0.00 177.57 177.64 2dwd h ILE 38 N 0.19 1.39 -0.13 4.57 2.04 -0.27 -2.39 117.51 122.91 2dwd h ILE 38 Ca 0.02 -2.09 -0.17 0.00 1.00 0.00 0.00 64.86 63.62 2dwd h ILE 38 Cb 0.77 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2dwd h ILE 38 CO 0.06 0.62 -0.64 0.58 0.00 0.00 0.00 178.15 178.77 2dwd h VAL 39 N 0.23 1.35 -0.56 1.67 2.07 -0.61 0.12 116.25 120.51 2dwd h VAL 39 Ca -0.02 -1.96 -0.04 0.00 0.82 0.00 0.00 66.70 65.49 2dwd h VAL 39 Cb 1.22 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 2dwd h VAL 39 CO 0.11 0.60 0.18 -0.07 0.02 0.00 0.00 177.57 178.41 2dwd h LEU 40 N 0.35 0.81 0.11 2.57 3.38 -0.85 0.23 115.31 121.92 2dwd h LEU 40 Ca -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2dwd h LEU 40 Cb 1.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2dwd h LEU 40 CO 0.12 0.80 -0.05 -0.07 0.09 0.00 0.00 178.44 179.32 2dwd h LEU 41 N 0.78 -0.13 -0.30 1.67 3.38 -1.36 -1.56 115.31 117.79 2dwd h LEU 41 Ca 0.18 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2dwd h LEU 41 Cb 0.28 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2dwd h LEU 41 CO -0.01 0.46 0.07 0.00 0.09 0.00 0.00 178.44 179.05 2dwd h ALA 42 N -0.15 0.32 -0.75 1.53 0.00 -1.02 -1.55 119.26 117.64 2dwd h ALA 42 Ca -0.02 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2dwd h ALA 42 Cb 0.56 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2dwd h ALA 42 CO 0.03 -0.34 0.45 0.78 0.00 0.00 0.00 179.25 180.16 2dwd h GLY 43 N 0.18 1.12 0.97 0.00 0.00 -0.61 0.17 103.07 104.92 2dwd h GLY 43 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2dwd h GLY 43 CO -0.18 0.21 0.25 1.76 0.00 0.00 0.00 176.54 178.58 2dwd h SER 44 N 0.82 0.57 -0.41 0.19 0.02 -0.77 0.12 113.55 114.09 2dwd h SER 44 Ca 0.33 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2dwd h SER 44 Cb 0.17 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2dwd h SER 44 CO -0.17 0.50 0.19 0.22 -1.14 0.00 0.00 176.83 176.43 2dwd h TYR 45 N 0.60 0.58 0.00 3.45 3.20 -0.49 -2.63 116.97 121.68 2dwd h TYR 45 Ca 0.16 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 2dwd h TYR 45 Cb 0.06 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2dwd h TYR 45 CO -0.02 0.48 -0.59 -0.07 -1.64 0.00 0.00 178.16 176.33 2dwd h LEU 46 N 0.51 0.00 0.25 2.82 3.38 -0.49 -2.41 115.31 119.37 2dwd h LEU 46 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dwd h LEU 46 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2dwd h LEU 46 CO -0.02 0.59 -0.12 0.00 0.09 0.00 0.00 178.44 178.98 2dwd h ALA 47 N 1.41 -0.33 -0.46 1.53 0.00 -0.63 0.21 119.26 120.99 2dwd h ALA 47 Ca -0.01 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2dwd h ALA 47 Cb 1.06 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2dwd h ALA 47 CO 0.08 -0.54 0.12 0.28 0.00 0.00 0.00 179.25 179.18 2dwd h VAL 48 N -0.62 0.78 -0.59 0.00 2.07 -1.50 0.39 116.25 116.79 2dwd h VAL 48 Ca -0.03 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2dwd h VAL 48 Cb 0.44 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2dwd h VAL 48 CO 0.06 0.05 0.38 0.25 0.02 0.00 0.00 177.57 178.32 2dwd h LEU 49 N 0.26 0.68 0.03 2.57 5.85 -1.32 -2.09 115.31 121.29 2dwd h LEU 49 Ca 0.22 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.73 2dwd h LEU 49 Cb 0.27 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 41.15 2dwd h LEU 49 CO -0.27 0.50 -0.77 0.00 -0.34 0.00 0.00 178.44 177.56 2dwd h ALA 50 N 1.62 0.06 -0.04 1.25 0.00 0.35 -3.37 119.26 119.13 2dwd h ALA 50 Ca 0.21 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 2dwd h ALA 50 Cb -0.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2dwd h ALA 50 CO -0.04 0.45 -0.74 0.93 0.00 0.00 0.00 179.25 179.85 2dwd h GLU 51 N -0.00 0.26 -6.94 0.00 4.39 -0.07 -3.45 114.58 108.76 2dwd h GLU 51 Ca -0.10 -0.22 -0.53 0.00 0.34 0.00 0.00 59.36 58.84 2dwd h GLU 51 Cb 1.48 0.05 0.10 0.00 -0.10 0.00 0.00 28.75 30.28 2dwd h GLU 51 CO 0.15 0.88 0.69 1.03 -1.16 0.00 0.00 179.01 180.61 2dwd s ARG 52 N -3.51 4.03 0.00 2.33 0.52 -0.81 -1.72 118.95 119.80 2dwd s ARG 52 Ca -0.04 2.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.54 2dwd s ARG 52 Cb 0.11 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.71 2dwd s ARG 52 CO 0.82 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 176.03 2dwd n GLY 53 N 0.60 1.10 3.33 -3.53 0.00 -1.26 -5.00 105.19 100.44 2dwd n GLY 53 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2dwd n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwd s ALA 54 N -2.27 3.29 0.24 4.61 0.00 -0.70 -5.06 121.76 121.87 2dwd s ALA 54 Ca 0.00 -1.90 -0.31 0.00 0.00 0.00 0.00 51.96 49.75 2dwd s ALA 54 Cb 0.00 -2.63 -0.14 0.00 0.00 0.00 0.00 23.12 20.36 2dwd s ALA 54 CO 0.00 -1.50 1.38 -2.30 0.00 0.00 0.00 175.76 173.33 2dwd n PRO 55 N 4.97 1.96 0.00 0.00 -0.02 -1.26 -1.21 135.00 139.44 2dwd n PRO 55 Ca -0.11 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2dwd n PRO 55 Cb 0.45 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2dwd n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dwd n GLY 56 N 2.06 1.82 3.76 -1.23 0.00 -1.26 -5.02 105.19 105.32 2dwd n GLY 56 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2dwd n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwd s ALA 57 N -2.45 3.07 0.00 4.61 0.00 -0.35 -4.91 121.76 121.72 2dwd s ALA 57 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2dwd s ALA 57 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2dwd s ALA 57 CO 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 175.76 174.64 2dwd n GLN 58 N -0.45 3.90 -1.77 0.00 10.64 -1.26 -4.75 117.38 123.69 2dwd n GLN 58 Ca 0.07 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.84 2dwd n GLN 58 Cb 0.44 -0.68 -0.01 0.00 -0.86 0.00 0.00 30.24 29.12 2dwd n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2dwd n LEU 59 N -1.13 8.14 0.00 2.61 7.94 -1.26 -4.52 117.00 128.77 2dwd n LEU 59 Ca 0.00 -4.65 0.00 0.00 -1.11 0.00 0.00 56.01 50.25 2dwd n LEU 59 Cb 0.00 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.50 2dwd n LEU 59 CO 0.00 1.96 0.33 2.30 -1.11 0.00 0.00 177.39 180.87 2dwd n ILE 60 N 2.67 0.34 -4.58 1.96 -5.35 -1.26 -3.84 119.36 109.29 2dwd n ILE 60 Ca 0.66 -0.65 -0.22 0.00 -0.27 0.00 0.00 62.75 62.28 2dwd n ILE 60 Cb 0.26 0.86 -0.15 0.00 -1.74 0.00 0.00 39.64 38.87 2dwd n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2dwd s THR 61 N -0.34 1.04 0.18 7.28 -4.23 -1.26 -4.93 115.64 113.39 2dwd s THR 61 Ca 0.00 -0.59 -0.13 0.00 -1.18 0.00 0.00 61.69 59.79 2dwd s THR 61 Cb 0.00 -0.88 0.11 0.00 1.34 0.00 0.00 72.50 73.07 2dwd s THR 61 CO 0.00 0.27 1.71 1.88 -0.54 0.00 0.00 174.62 177.95 2dwd h TYR 62 N 5.76 0.14 0.55 3.99 0.99 -1.95 -1.61 116.97 124.83 2dwd h TYR 62 Ca -0.34 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.40 2dwd h TYR 62 Cb 1.17 0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.90 2dwd h TYR 62 CO 0.41 -0.01 -0.37 -1.35 -0.00 0.00 0.00 178.16 176.84 2dwd h PRO 63 N 0.22 -0.85 0.00 4.88 0.11 -1.98 -0.26 132.00 134.13 2dwd h PRO 63 Ca 0.25 0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 2dwd h PRO 63 Cb 0.33 0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 2dwd h PRO 63 CO -0.33 -0.57 -0.14 0.07 -0.21 0.00 0.00 178.00 176.82 2dwd h ARG 64 N -0.88 0.00 -0.45 1.05 0.11 -1.99 -1.62 114.38 110.60 2dwd h ARG 64 Ca -0.06 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.93 2dwd h ARG 64 Cb 0.73 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.79 2dwd h ARG 64 CO 0.05 0.14 -0.07 0.00 0.10 0.00 0.00 179.97 180.19 2dwd h ALA 65 N 1.86 1.03 -0.11 0.08 0.00 -0.74 0.46 119.26 121.85 2dwd h ALA 65 Ca -0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2dwd h ALA 65 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dwd h ALA 65 CO 0.02 0.59 -0.43 1.25 0.00 0.00 0.00 179.25 180.68 2dwd h LEU 66 N 0.71 0.26 -0.24 0.00 5.85 -0.11 -0.05 115.31 121.73 2dwd h LEU 66 Ca 0.13 -0.11 -0.21 0.00 0.84 0.00 0.00 57.88 58.53 2dwd h LEU 66 Cb 0.54 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.50 2dwd h LEU 66 CO 0.03 0.66 -0.72 -0.25 -0.34 0.00 0.00 178.44 177.82 2dwd h TRP 67 N 0.20 0.98 0.04 1.25 2.91 -0.83 -2.67 115.95 117.84 2dwd h TRP 67 Ca 0.02 -0.41 -0.00 0.00 1.13 0.00 0.00 58.89 59.62 2dwd h TRP 67 Cb 0.84 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 2dwd h TRP 67 CO 0.02 1.23 -0.02 2.35 -1.03 0.00 0.00 178.44 180.99 2dwd h TRP 68 N 0.52 -0.05 -1.00 2.65 7.01 0.28 -1.99 115.95 123.37 2dwd h TRP 68 Ca -0.03 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.07 2dwd h TRP 68 Cb 1.33 0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 28.33 2dwd h TRP 68 CO 0.08 -0.01 0.64 0.66 -2.79 0.00 0.00 178.44 177.01 2dwd h SER 69 N -0.07 0.96 -0.00 2.65 4.64 -0.99 -0.33 113.55 120.40 2dwd h SER 69 Ca -0.01 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2dwd h SER 69 Cb 0.06 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2dwd h SER 69 CO 0.01 0.55 0.00 0.58 -0.87 0.00 0.00 176.83 177.10 2dwd h VAL 70 N 1.05 1.21 0.00 0.95 2.07 -1.13 0.12 116.25 120.52 2dwd h VAL 70 Ca 0.47 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2dwd h VAL 70 Cb 0.38 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2dwd h VAL 70 CO -0.23 0.16 0.00 1.05 0.02 0.00 0.00 177.57 178.57 2dwd h GLU 71 N -0.25 0.00 0.12 1.57 4.11 -0.88 -0.57 114.58 118.67 2dwd h GLU 71 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.14 2dwd h GLU 71 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2dwd h GLU 71 CO 0.00 0.00 -1.47 1.15 0.07 0.00 0.00 179.01 178.76 2dwd h THR 72 N 0.00 1.00 -0.66 -1.06 2.02 -0.70 -0.34 112.91 113.18 2dwd h THR 72 Ca 0.00 -2.40 -0.02 0.00 0.77 0.00 0.00 66.41 64.76 2dwd h THR 72 Cb 0.30 2.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 2dwd h THR 72 CO 0.00 0.72 0.32 0.00 0.37 0.00 0.00 175.52 176.94 2dwd h ALA 73 N -0.03 1.33 -0.00 6.16 0.00 -0.26 -0.59 119.26 125.87 2dwd h ALA 73 Ca -0.31 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2dwd h ALA 73 Cb 1.80 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2dwd h ALA 73 CO 0.07 0.52 -0.06 0.25 0.00 0.00 0.00 179.25 180.03 2dwd n THR 74 N -4.35 0.00 -0.99 0.00 -2.24 -0.27 -3.75 114.28 102.68 2dwd n THR 74 Ca 0.06 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2dwd n THR 74 Cb 0.13 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 2dwd n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2dwd n THR 75 N -1.33 0.00 -0.12 4.28 -2.24 -0.23 -4.92 114.28 109.72 2dwd n THR 75 Ca 0.11 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.79 2dwd n THR 75 Cb 0.29 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 2dwd n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2dwd h VAL 76 N 0.00 1.22 -6.78 2.28 2.07 -1.37 -3.48 116.25 110.20 2dwd h VAL 76 Ca 0.00 -0.73 -0.56 0.00 0.82 0.00 0.00 66.70 66.23 2dwd h VAL 76 Cb 0.49 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2dwd h VAL 76 CO 0.00 0.25 -0.98 0.61 0.02 0.00 0.00 177.57 177.47 2dwd n GLY 77 N -0.60 -0.65 0.50 2.17 0.00 -0.52 -4.84 105.19 101.24 2dwd n GLY 77 Ca -0.01 0.31 0.33 0.00 0.00 0.00 0.00 46.02 46.65 2dwd n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2dwd h TYR 78 N -2.24 0.28 0.00 1.61 -1.99 -1.91 -3.45 116.97 109.27 2dwd h TYR 78 Ca -0.69 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.05 2dwd h TYR 78 Cb 1.39 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.05 2dwd h TYR 78 CO 0.41 -0.01 0.00 0.41 -0.00 0.00 0.00 178.16 178.96 2dwd n GLY 79 N -1.66 0.86 0.08 3.88 0.00 -1.26 -4.96 105.19 102.13 2dwd n GLY 79 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 2dwd n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dwd h ASP 80 N 0.00 0.07 -4.20 1.61 2.03 -2.02 -3.45 116.42 110.46 2dwd h ASP 80 Ca 0.00 -0.06 -0.18 0.00 -0.73 0.00 0.00 57.03 56.05 2dwd h ASP 80 Cb 0.00 -0.02 -0.25 0.00 -0.83 0.00 0.00 39.33 38.23 2dwd h ASP 80 CO 0.00 0.97 -0.58 -0.76 -1.03 0.00 0.00 179.24 177.85 2dwd s LEU 81 N -6.97 1.65 -0.24 0.15 1.43 -1.26 -5.00 118.68 108.43 2dwd s LEU 81 Ca -0.00 0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 52.86 2dwd s LEU 81 Cb 0.10 0.42 0.15 0.00 0.03 0.00 0.00 46.19 46.89 2dwd s LEU 81 CO 0.82 -0.15 1.14 -0.72 0.23 0.00 0.00 176.35 177.67 2dwd s TYR 82 N -0.46 -0.30 0.56 0.29 -0.85 -1.26 -4.92 117.35 110.41 2dwd s TYR 82 Ca -0.05 0.64 -0.19 0.00 -0.52 0.00 0.00 57.07 56.95 2dwd s TYR 82 Cb -0.03 0.43 -0.05 0.00 0.38 0.00 0.00 41.96 42.69 2dwd s TYR 82 CO 0.00 -0.20 1.13 -1.25 -1.52 0.00 0.00 175.55 173.71 2dwd s PRO 83 N -0.42 3.24 -0.00 -3.49 0.04 -1.26 -4.55 135.00 128.55 2dwd s PRO 83 Ca 0.03 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2dwd s PRO 83 Cb -0.03 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 2dwd s PRO 83 CO -0.06 -0.94 0.02 1.33 0.04 0.00 0.00 177.00 177.40 2dwd n VAL 84 N -1.50 0.00 -3.29 -0.36 0.24 -1.26 -4.82 118.33 107.34 2dwd n VAL 84 Ca 0.12 -0.44 -0.23 0.00 -2.04 0.00 0.00 64.34 61.75 2dwd n VAL 84 Cb 0.51 0.94 -0.01 0.00 -1.47 0.00 0.00 33.84 33.82 2dwd n VAL 84 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2dwd s THR 85 N -1.15 4.77 0.08 3.34 -4.23 -1.26 -4.99 115.64 112.20 2dwd s THR 85 Ca 0.00 -0.51 -0.21 0.00 -1.18 0.00 0.00 61.69 59.80 2dwd s THR 85 Cb 0.00 -3.74 -0.11 0.00 1.34 0.00 0.00 72.50 70.00 2dwd s THR 85 CO 0.02 -0.48 1.60 0.25 -0.54 0.00 0.00 174.62 175.47 2dwd h LEU 86 N 0.68 0.23 -0.92 4.79 5.85 -1.96 -1.68 115.31 122.30 2dwd h LEU 86 Ca -0.49 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 57.93 2dwd h LEU 86 Cb 1.23 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2dwd h LEU 86 CO 0.60 0.36 -0.41 -0.50 -0.34 0.00 0.00 178.44 178.15 2dwd h TRP 87 N 0.09 0.31 -0.31 1.25 4.06 -1.95 -1.13 115.95 118.26 2dwd h TRP 87 Ca 0.05 -0.08 -0.12 0.00 2.06 0.00 0.00 58.89 60.80 2dwd h TRP 87 Cb 0.21 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 2dwd h TRP 87 CO -0.00 0.64 -0.30 0.78 -3.56 0.00 0.00 178.44 176.00 2dwd h GLY 88 N 1.21 0.71 1.72 1.49 0.00 -1.83 -0.86 103.07 105.51 2dwd h GLY 88 Ca 0.02 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.56 2dwd h GLY 88 CO 0.06 0.58 -0.58 3.21 0.00 0.00 0.00 176.54 179.82 2dwd h ARG 89 N 0.56 0.29 -0.40 4.80 3.08 -1.10 -0.76 114.38 120.86 2dwd h ARG 89 Ca 0.07 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 2dwd h ARG 89 Cb 0.79 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 2dwd h ARG 89 CO 0.06 0.79 0.07 0.00 -1.07 0.00 0.00 179.97 179.82 2dwd h VAL 91 N 0.51 1.08 -0.11 0.00 2.07 -0.89 -2.13 116.25 116.78 2dwd h VAL 91 Ca 0.12 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2dwd h VAL 91 Cb 0.36 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2dwd h VAL 91 CO 0.01 0.18 -0.08 0.00 0.02 0.00 0.00 177.57 177.69 2dwd h ALA 92 N 1.37 0.00 -0.64 1.67 0.00 -0.39 -1.99 119.26 119.29 2dwd h ALA 92 Ca 0.35 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.41 2dwd h ALA 92 Cb 0.09 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2dwd h ALA 92 CO -0.14 -0.54 0.24 0.28 0.00 0.00 0.00 179.25 179.09 2dwd h VAL 93 N -0.10 0.75 -0.61 0.00 2.07 -0.42 0.24 116.25 118.18 2dwd h VAL 93 Ca 0.07 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2dwd h VAL 93 Cb 0.20 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2dwd h VAL 93 CO -0.17 0.08 0.40 0.58 0.02 0.00 0.00 177.57 178.48 2dwd h VAL 94 N 0.42 1.16 -0.58 2.57 2.07 -1.21 0.39 116.25 121.07 2dwd h VAL 94 Ca 0.33 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 2dwd h VAL 94 Cb 0.43 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2dwd h VAL 94 CO -0.33 0.16 0.03 0.58 0.02 0.00 0.00 177.57 178.03 2dwd h VAL 95 N 0.83 1.26 -0.00 2.57 2.07 -0.45 0.25 116.25 122.76 2dwd h VAL 95 Ca 0.22 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2dwd h VAL 95 Cb -0.09 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2dwd h VAL 95 CO -0.05 0.39 -0.00 0.24 0.02 0.00 0.00 177.57 178.17 2dwd h MET 96 N 0.91 0.01 -0.67 1.57 2.07 -0.15 -0.46 114.93 118.22 2dwd h MET 96 Ca 0.17 -0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.73 2dwd h MET 96 Cb 0.49 -0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.19 2dwd h MET 96 CO 0.02 0.35 0.14 0.28 1.07 0.00 0.00 176.91 178.78 2dwd h VAL 97 N -0.34 1.26 -0.26 -2.22 2.07 -0.82 0.45 116.25 116.39 2dwd h VAL 97 Ca 0.00 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.44 2dwd h VAL 97 Cb 0.35 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2dwd h VAL 97 CO 0.00 0.37 -0.27 0.00 0.02 0.00 0.00 177.57 177.69 2dwd h ALA 98 N 1.13 1.06 -0.03 1.67 0.00 -0.48 0.54 119.26 123.16 2dwd h ALA 98 Ca 0.21 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2dwd h ALA 98 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dwd h ALA 98 CO 0.01 0.57 -0.06 0.78 0.00 0.00 0.00 179.25 180.55 2dwd h GLY 99 N 1.03 0.10 1.14 0.00 0.00 -0.37 -1.73 103.07 103.24 2dwd h GLY 99 Ca 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 2dwd h GLY 99 CO 0.05 0.11 0.19 -2.22 0.00 0.00 0.00 176.54 174.67 2dwd h ILE 100 N -0.47 1.25 -0.35 2.60 2.04 -0.05 -2.73 117.51 119.81 2dwd h ILE 100 Ca -0.00 -0.91 -0.15 0.00 1.00 0.00 0.00 64.86 64.80 2dwd h ILE 100 Cb 0.66 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2dwd h ILE 100 CO 0.01 0.35 -0.36 0.74 0.00 0.00 0.00 178.15 178.90 2dwd h THR 101 N 1.03 1.28 0.64 -0.27 2.02 -0.93 -1.87 112.91 114.81 2dwd h THR 101 Ca 0.22 -1.53 -0.03 0.00 0.77 0.00 0.00 66.41 65.84 2dwd h THR 101 Cb 0.33 1.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2dwd h THR 101 CO -0.00 0.51 -0.31 0.28 0.37 0.00 0.00 175.52 176.36 2dwd h SER 102 N 0.66 -0.73 -0.98 4.18 0.02 -1.27 -0.17 113.55 115.27 2dwd h SER 102 Ca 0.06 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.10 2dwd h SER 102 Cb 0.95 0.19 -0.08 0.00 0.14 0.00 0.00 62.40 63.60 2dwd h SER 102 CO 0.09 -0.39 0.61 -0.26 -1.14 0.00 0.00 176.83 175.74 2dwd h PHE 103 N -1.09 1.11 -0.46 3.45 -1.00 -1.57 0.18 116.94 117.55 2dwd h PHE 103 Ca -0.09 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.68 2dwd h PHE 103 Cb 0.70 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 2dwd h PHE 103 CO 0.00 0.46 0.10 0.78 -1.61 0.00 0.00 178.31 178.04 2dwd h GLY 104 N 0.99 0.75 2.00 -1.45 0.00 -1.26 -0.57 103.07 103.52 2dwd h GLY 104 Ca 0.47 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2dwd h GLY 104 CO -0.25 0.39 -0.09 -2.00 0.00 0.00 0.00 176.54 174.60 2dwd h LEU 105 N 0.68 0.00 0.09 3.11 6.46 0.12 -0.96 115.31 124.81 2dwd h LEU 105 Ca 0.15 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.62 2dwd h LEU 105 Cb 0.27 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2dwd h LEU 105 CO -0.00 0.09 -1.23 0.58 -0.62 0.00 0.00 178.44 177.25 2dwd h VAL 106 N 0.00 1.33 -0.61 1.05 2.07 0.13 -2.45 116.25 117.76 2dwd h VAL 106 Ca -0.00 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2dwd h VAL 106 Cb 0.53 2.73 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 2dwd h VAL 106 CO 0.01 0.77 0.39 0.74 0.02 0.00 0.00 177.57 179.51 2dwd h THR 107 N 0.23 1.17 -0.02 2.57 2.02 -0.47 -0.93 112.91 117.47 2dwd h THR 107 Ca -0.17 -0.33 -0.10 0.00 0.77 0.00 0.00 66.41 66.58 2dwd h THR 107 Cb 1.91 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2dwd h THR 107 CO 0.23 0.16 -0.44 0.00 0.37 0.00 0.00 175.52 175.84 2dwd h ALA 108 N 1.21 1.23 -0.05 6.16 0.00 -1.25 -1.17 119.26 125.40 2dwd h ALA 108 Ca 0.22 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 2dwd h ALA 108 Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2dwd h ALA 108 CO -0.05 0.57 -0.67 0.00 0.00 0.00 0.00 179.25 179.10 2dwd h ALA 109 N 1.51 0.78 -0.02 0.00 0.00 -0.90 -2.04 119.26 118.59 2dwd h ALA 109 Ca 0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 2dwd h ALA 109 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2dwd h ALA 109 CO 0.06 0.78 -0.80 -0.07 0.00 0.00 0.00 179.25 179.22 2dwd h LEU 110 N 0.15 0.24 -0.46 0.00 3.38 -0.86 -2.35 115.31 115.41 2dwd h LEU 110 Ca -0.01 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 2dwd h LEU 110 Cb 1.20 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2dwd h LEU 110 CO 0.10 0.94 -0.18 0.00 0.09 0.00 0.00 178.44 179.39 2dwd h ALA 111 N 1.05 0.64 -0.31 1.53 0.00 -1.04 -1.12 119.26 120.01 2dwd h ALA 111 Ca -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2dwd h ALA 111 Cb 1.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2dwd h ALA 111 CO 0.12 0.60 0.14 1.15 0.00 0.00 0.00 179.25 181.26 2dwd h THR 112 N 0.77 1.17 -0.71 0.00 2.02 -1.32 0.15 112.91 114.99 2dwd h THR 112 Ca 0.11 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.84 2dwd h THR 112 Cb 0.75 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 2dwd h THR 112 CO 0.06 0.17 0.44 -0.25 0.37 0.00 0.00 175.52 176.31 2dwd h TRP 113 N 0.36 0.81 -0.34 3.16 7.01 -1.26 -0.99 115.95 124.71 2dwd h TRP 113 Ca 0.11 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 60.96 2dwd h TRP 113 Cb 0.14 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 26.94 2dwd h TRP 113 CO -0.01 0.44 -0.45 0.74 -2.79 0.00 0.00 178.44 176.37 2dwd h PHE 114 N 0.83 1.08 -0.43 2.65 0.04 -0.73 -2.42 116.94 117.96 2dwd h PHE 114 Ca 0.30 -0.35 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 2dwd h PHE 114 Cb 0.08 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 2dwd h PHE 114 CO -0.05 1.17 0.15 0.28 -0.60 0.00 0.00 178.31 179.26 2dwd h VAL 115 N 0.71 1.21 -0.40 -0.55 2.07 -0.32 -0.25 116.25 118.73 2dwd h VAL 115 Ca 0.04 -0.68 -0.11 0.00 0.82 0.00 0.00 66.70 66.77 2dwd h VAL 115 Cb 1.04 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2dwd h VAL 115 CO 0.10 0.25 -0.21 1.23 0.02 0.00 0.00 177.57 178.96 2dwd h GLY 116 N 0.55 0.85 1.25 2.17 0.00 -1.20 -0.48 103.07 106.22 2dwd h GLY 116 Ca 0.14 -0.71 -0.15 0.00 0.00 0.00 0.00 47.33 46.60 2dwd h GLY 116 CO -0.01 0.65 -0.41 0.07 0.00 0.00 0.00 176.54 176.85 2dwd h ARG 117 N 0.69 0.81 0.00 4.80 0.11 -1.35 -2.17 114.38 117.28 2dwd h ARG 117 Ca 0.10 -0.43 -0.05 0.00 0.10 0.00 0.00 59.98 59.70 2dwd h ARG 117 Cb 0.72 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.81 2dwd h ARG 117 CO 0.06 1.07 -0.23 1.49 0.10 0.00 0.00 179.97 182.46 2dwd h GLU 118 N 0.66 0.00 0.30 0.08 4.57 -0.79 -0.32 114.58 119.08 2dwd h GLU 118 Ca 0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2dwd h GLU 118 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2dwd h GLU 118 CO 0.09 0.23 -0.14 1.96 -1.18 0.00 0.00 179.01 179.97 2dwd h GLN 119 N 0.00 -0.38 -0.93 1.92 1.08 -0.66 -1.89 115.11 114.24 2dwd h GLN 119 Ca -0.00 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.36 2dwd h GLN 119 Cb 0.53 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.95 2dwd h GLN 119 CO 0.03 -0.05 0.55 0.93 -0.95 0.00 0.00 178.83 179.34 2dwd h GLU 120 N -0.82 0.80 -0.06 1.46 5.08 -1.11 0.21 114.58 120.13 2dwd h GLU 120 Ca -0.04 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2dwd h GLU 120 Cb 0.52 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2dwd h GLU 120 CO 0.07 0.53 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.31 2dwd h ARG 121 N 0.82 0.10 -0.01 2.33 2.43 -0.99 0.26 114.38 119.32 2dwd h ARG 121 Ca 0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2dwd h ARG 121 Cb 0.59 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2dwd h ARG 121 CO -0.31 0.30 -0.18 0.54 -1.51 0.00 0.00 179.97 178.81 2dwd n ARG 122 N -4.26 0.81 -2.52 0.20 5.12 0.49 -4.91 116.66 111.59 2dwd n ARG 122 Ca -0.02 -0.40 -0.17 0.00 -1.93 0.00 0.00 57.85 55.34 2dwd n ARG 122 Cb 0.29 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 30.10 2dwd n ARG 122 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dwd n GLY 123 N 1.30 -0.28 0.44 -0.13 0.00 0.20 -5.07 105.19 101.65 2dwd n GLY 123 Ca 0.13 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2dwd n GLY 123 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89