#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0u n HIS 2 N 0.00 1.99 -3.76 2.03 -0.00 -1.26 -5.08 115.22 109.14 1a0u n HIS 2 Ca 0.00 -3.98 -0.37 0.00 -0.00 0.00 0.00 57.72 53.37 1a0u n HIS 2 Cb 0.00 -0.37 -0.13 0.00 -0.00 0.00 0.00 29.99 29.49 1a0u n HIS 2 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1a0u s LEU 3 N -1.24 3.63 0.63 0.27 2.96 -1.26 -5.08 118.68 118.60 1a0u s LEU 3 Ca 0.30 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.57 1a0u s LEU 3 Cb 0.03 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1a0u s LEU 3 CO -0.15 -0.12 1.13 0.42 -1.32 0.00 0.00 176.35 176.32 1a0u s THR 4 N 1.55 3.07 0.30 3.68 -4.23 -1.26 -4.73 115.64 114.02 1a0u s THR 4 Ca 0.04 0.56 0.04 0.00 -1.18 0.00 0.00 61.69 61.16 1a0u s THR 4 Cb -0.16 -3.11 0.29 0.00 1.34 0.00 0.00 72.50 70.86 1a0u s THR 4 CO 0.03 -0.25 1.79 -0.65 -0.54 0.00 0.00 174.62 175.00 1a0u h PRO 5 N 0.37 0.81 0.00 3.99 0.11 -1.98 0.70 132.00 136.00 1a0u h PRO 5 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1a0u h PRO 5 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1a0u h PRO 5 CO 0.54 0.54 0.00 1.05 -0.21 0.00 0.00 178.00 179.92 1a0u h GLU 6 N 0.84 0.00 0.18 1.05 4.11 -1.99 -0.57 114.58 118.20 1a0u h GLU 6 Ca 0.55 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.66 1a0u h GLU 6 Cb 0.77 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1a0u h GLU 6 CO -0.35 0.00 -1.56 0.93 0.07 0.00 0.00 179.01 178.10 1a0u h GLU 7 N 0.00 0.38 -0.12 1.06 5.08 -0.13 -3.13 114.58 117.71 1a0u h GLU 7 Ca 0.00 -0.65 -0.10 0.00 -1.00 0.00 0.00 59.36 57.61 1a0u h GLU 7 Cb 0.63 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1a0u h GLU 7 CO 0.00 1.28 -0.38 -0.22 -1.00 0.00 0.00 179.01 178.69 1a0u h LYS 8 N 0.10 0.27 -0.16 2.33 3.64 -0.21 -1.47 116.57 121.08 1a0u h LYS 8 Ca -0.27 -0.12 -0.22 0.00 -1.27 0.00 0.00 60.65 58.77 1a0u h LYS 8 Cb 2.08 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.91 1a0u h LYS 8 CO 0.20 0.62 -0.78 0.66 -2.27 0.00 0.00 179.45 177.88 1a0u h SER 9 N 0.23 0.95 -0.70 4.20 4.64 -1.21 -2.68 113.55 118.99 1a0u h SER 9 Ca 0.02 -0.62 -0.04 0.00 -0.47 0.00 0.00 61.79 60.68 1a0u h SER 9 Cb 0.78 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1a0u h SER 9 CO 0.06 1.43 0.30 0.00 -0.87 0.00 0.00 176.83 177.74 1a0u h ALA 10 N 0.56 0.90 0.07 5.18 0.00 -1.46 0.37 119.26 124.88 1a0u h ALA 10 Ca -0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1a0u h ALA 10 Cb 1.41 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1a0u h ALA 10 CO 0.16 0.51 -0.03 0.28 0.00 0.00 0.00 179.25 180.16 1a0u h VAL 11 N 0.99 1.09 -0.69 0.00 2.07 -1.25 -2.89 116.25 115.56 1a0u h VAL 11 Ca 0.23 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1a0u h VAL 11 Cb 0.18 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1a0u h VAL 11 CO -0.02 0.13 0.38 0.74 0.02 0.00 0.00 177.57 178.82 1a0u h THR 12 N -0.32 1.21 0.38 2.57 2.02 -1.38 -0.77 112.91 116.61 1a0u h THR 12 Ca -0.01 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1a0u h THR 12 Cb 0.28 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1a0u h THR 12 CO 0.02 0.23 -0.30 0.00 0.37 0.00 0.00 175.52 175.84 1a0u h ALA 13 N 1.19 -0.68 -0.33 6.16 0.00 -0.23 -2.74 119.26 122.63 1a0u h ALA 13 Ca 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a0u h ALA 13 Cb 0.03 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1a0u h ALA 13 CO -0.04 -0.91 0.19 1.25 0.00 0.00 0.00 179.25 179.75 1a0u h LEU 14 N -0.67 0.41 -2.26 0.00 5.85 -1.42 -2.31 115.31 114.90 1a0u h LEU 14 Ca -0.03 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1a0u h LEU 14 Cb 0.58 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1a0u h LEU 14 CO -0.01 0.36 0.24 -0.25 -0.34 0.00 0.00 178.44 178.43 1a0u h TRP 15 N 0.43 0.00 -0.28 1.25 2.91 -1.05 0.24 115.95 119.44 1a0u h TRP 15 Ca 0.12 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 1a0u h TRP 15 Cb 0.03 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.67 1a0u h TRP 15 CO -0.03 0.00 0.06 0.78 -1.03 0.00 0.00 178.44 178.21 1a0u h GLY 16 N 0.00 0.43 1.50 2.65 0.00 -1.10 -2.79 103.07 103.76 1a0u h GLY 16 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1a0u h GLY 16 CO -0.00 0.21 -0.31 0.28 0.00 0.00 0.00 176.54 176.72 1a0u n LYS 17 N -4.37 0.12 -2.55 4.80 5.02 0.82 -4.92 118.16 117.09 1a0u n LYS 17 Ca 0.01 0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 1a0u n LYS 17 Cb 0.17 -1.60 -0.05 0.00 -0.02 0.00 0.00 35.03 33.54 1a0u n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a0u s VAL 18 N -3.06 3.73 -0.74 -0.18 1.01 -1.05 -5.00 120.40 115.11 1a0u s VAL 18 Ca 0.11 1.67 -0.16 0.00 0.00 0.00 0.00 61.98 63.60 1a0u s VAL 18 Cb 0.16 -4.06 0.17 0.00 0.00 0.00 0.00 36.38 32.65 1a0u s VAL 18 CO 0.64 0.37 0.73 0.21 0.00 0.00 0.00 175.10 177.05 1a0u s ASN 19 N -0.73 6.53 0.42 3.32 3.84 -1.26 -4.94 114.94 122.12 1a0u s ASN 19 Ca 0.45 -2.24 0.13 0.00 0.21 0.00 0.00 52.86 51.41 1a0u s ASN 19 Cb -0.30 -2.24 0.99 0.00 -0.55 0.00 0.00 41.25 39.15 1a0u s ASN 19 CO 0.37 -0.76 1.95 -0.37 -2.79 0.00 0.00 177.10 175.50 1a0u h VAL 20 N 5.31 0.88 0.31 -5.21 -1.51 -1.95 0.73 116.25 114.81 1a0u h VAL 20 Ca -0.04 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1a0u h VAL 20 Cb 1.06 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 1a0u h VAL 20 CO 0.91 0.09 -0.33 0.44 -1.23 0.00 0.00 177.57 177.44 1a0u h ASP 21 N 0.47 -0.90 0.18 4.19 3.32 -1.92 -0.34 116.42 121.42 1a0u h ASP 21 Ca 0.32 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 1a0u h ASP 21 Cb 0.60 0.31 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1a0u h ASP 21 CO -0.10 -0.46 -0.09 -0.08 -1.72 0.00 0.00 179.24 176.79 1a0u h GLU 22 N -0.68 -0.23 -0.60 3.56 4.81 -1.76 -2.80 114.58 116.87 1a0u h GLU 22 Ca -0.01 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1a0u h GLU 22 Cb 0.62 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1a0u h GLU 22 CO -0.07 0.02 0.19 0.28 -0.73 0.00 0.00 179.01 178.69 1a0u h VAL 23 N -0.46 1.23 -0.19 0.32 2.07 -0.89 -2.24 116.25 116.09 1a0u h VAL 23 Ca -0.02 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.72 1a0u h VAL 23 Cb 0.35 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1a0u h VAL 23 CO 0.04 0.30 0.06 1.23 0.02 0.00 0.00 177.57 179.22 1a0u h GLY 24 N 1.01 0.22 1.09 2.17 0.00 -1.07 0.16 103.07 106.64 1a0u h GLY 24 Ca 0.20 -0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 1a0u h GLY 24 CO -0.01 0.02 -0.07 -1.33 0.00 0.00 0.00 176.54 175.16 1a0u h GLY 25 N 0.14 1.13 0.90 4.60 0.00 -1.33 -2.12 103.07 106.39 1a0u h GLY 25 Ca 0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 1a0u h GLY 25 CO -0.09 0.81 -0.00 0.83 0.00 0.00 0.00 176.54 178.09 1a0u h GLU 26 N 0.93 0.58 -0.13 4.80 4.39 -1.14 0.02 114.58 124.03 1a0u h GLU 26 Ca 0.15 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1a0u h GLU 26 Cb 0.63 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1a0u h GLU 26 CO 0.04 0.71 -0.01 0.00 -1.16 0.00 0.00 179.01 178.59 1a0u h ALA 27 N 0.85 0.18 -0.40 3.43 0.00 -0.67 -1.16 119.26 121.49 1a0u h ALA 27 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1a0u h ALA 27 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1a0u h ALA 27 CO 0.02 -0.11 0.07 1.25 0.00 0.00 0.00 179.25 180.48 1a0u h LEU 28 N -0.04 0.63 0.14 0.00 5.85 -1.41 -1.34 115.31 119.14 1a0u h LEU 28 Ca 0.04 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1a0u h LEU 28 Cb 0.40 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1a0u h LEU 28 CO 0.01 0.73 -0.14 1.23 -0.34 0.00 0.00 178.44 179.93 1a0u h GLY 29 N 0.52 -0.29 0.94 3.75 0.00 -0.95 -2.56 103.07 104.48 1a0u h GLY 29 Ca 0.12 0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.67 1a0u h GLY 29 CO 0.01 -0.14 0.55 3.21 0.00 0.00 0.00 176.54 180.17 1a0u h ARG 30 N -0.31 0.93 -0.29 4.80 3.08 -1.18 -1.99 114.38 119.42 1a0u h ARG 30 Ca 0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1a0u h ARG 30 Cb 0.29 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1a0u h ARG 30 CO -0.04 0.62 0.17 1.25 -1.07 0.00 0.00 179.97 180.90 1a0u h LEU 31 N 0.96 0.28 -1.69 3.04 5.85 -0.92 0.22 115.31 123.05 1a0u h LEU 31 Ca 0.36 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 1a0u h LEU 31 Cb 0.18 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1a0u h LEU 31 CO -0.13 0.20 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.92 1a0u h LEU 32 N 0.35 0.00 0.00 2.25 3.38 -0.99 -1.42 115.31 118.88 1a0u h LEU 32 Ca 0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1a0u h LEU 32 Cb -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1a0u h LEU 32 CO -0.05 0.18 -0.86 0.58 0.09 0.00 0.00 178.44 178.38 1a0u h VAL 33 N 0.00 1.12 -0.18 1.22 2.07 -0.90 -3.26 116.25 116.33 1a0u h VAL 33 Ca -0.00 -2.17 -0.15 0.00 0.82 0.00 0.00 66.70 65.19 1a0u h VAL 33 Cb 0.42 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1a0u h VAL 33 CO 0.02 0.38 -0.53 0.58 0.02 0.00 0.00 177.57 178.04 1a0u h VAL 34 N -1.00 1.32 -2.37 2.57 2.07 -0.54 -3.36 116.25 114.95 1a0u h VAL 34 Ca -0.24 -1.78 -0.60 0.00 0.82 0.00 0.00 66.70 64.91 1a0u h VAL 34 Cb 1.18 1.76 -0.41 0.00 -1.52 0.00 0.00 31.29 32.30 1a0u h VAL 34 CO -0.14 0.55 -0.73 -1.22 0.02 0.00 0.00 177.57 176.05 1a0u n TYR 35 N -3.96 2.34 0.30 1.57 4.01 -0.54 -4.97 117.16 115.92 1a0u n TYR 35 Ca -0.03 -3.99 0.15 0.00 -0.16 0.00 0.00 57.90 53.87 1a0u n TYR 35 Cb 0.59 -0.46 0.82 0.00 -0.31 0.00 0.00 39.34 39.99 1a0u n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a0u h PRO 36 N 4.54 0.00 0.00 -0.72 0.13 -1.71 0.98 132.00 135.22 1a0u h PRO 36 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 1a0u h PRO 36 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1a0u h PRO 36 CO 0.69 0.00 -0.19 0.11 -0.23 0.00 0.00 178.00 178.38 1a0u h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.66 115.95 114.03 1a0u h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1a0u h TRP 37 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.72 1a0u h TRP 37 CO 0.00 0.19 0.00 0.25 0.09 0.00 0.00 178.44 178.97 1a0u n THR 38 N -3.77 1.07 0.37 0.12 -2.24 0.34 -2.09 114.28 108.07 1a0u n THR 38 Ca -0.02 0.40 0.10 0.00 -2.27 0.00 0.00 64.05 62.27 1a0u n THR 38 Cb 0.29 -1.33 0.43 0.00 -2.10 0.00 0.00 70.33 67.62 1a0u n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a0u n GLN 39 N -2.02 0.13 0.08 -0.78 6.02 -0.62 -3.06 117.38 117.14 1a0u n GLN 39 Ca 0.01 0.41 0.20 0.00 -0.01 0.00 0.00 57.00 57.62 1a0u n GLN 39 Cb 0.14 -1.77 0.75 0.00 1.02 0.00 0.00 30.24 30.37 1a0u n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1a0u h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.63 -0.68 114.38 111.09 1a0u h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a0u h ARG 40 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1a0u h ARG 40 CO 0.00 0.00 -0.51 1.19 0.10 0.00 0.00 179.97 180.75 1a0u n PHE 41 N -3.78 0.29 -2.19 4.08 3.72 -1.17 -4.40 117.46 114.01 1a0u n PHE 41 Ca 0.07 0.08 -0.26 0.00 -0.05 0.00 0.00 57.45 57.30 1a0u n PHE 41 Cb 0.61 -0.49 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 1a0u n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1a0u n PHE 42 N -1.82 3.07 0.35 1.38 3.72 -0.26 -4.79 117.46 119.12 1a0u n PHE 42 Ca 0.05 -2.65 0.14 0.00 -0.05 0.00 0.00 57.45 54.94 1a0u n PHE 42 Cb 0.39 -0.30 0.57 0.00 -0.94 0.00 0.00 39.48 39.20 1a0u n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1a0u h GLU 43 N 2.38 0.00 -0.01 -1.08 4.11 -1.77 -2.25 114.58 115.96 1a0u h GLU 43 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1a0u h GLU 43 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1a0u h GLU 43 CO 0.85 0.00 -0.08 -1.13 0.07 0.00 0.00 179.01 178.73 1a0u n SER 44 N -2.59 0.89 0.00 3.06 3.41 -1.26 -3.66 113.62 113.47 1a0u n SER 44 Ca 0.02 -1.06 0.13 0.00 -0.26 0.00 0.00 58.87 57.70 1a0u n SER 44 Cb 0.27 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.74 1a0u n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1a0u n PHE 45 N -0.47 0.01 -1.81 7.33 3.01 -0.85 -5.04 117.46 119.64 1a0u n PHE 45 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1a0u n PHE 45 Cb 0.29 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 1a0u n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a0u n GLY 46 N 1.50 0.74 3.62 1.37 0.00 -1.24 -4.83 105.19 106.35 1a0u n GLY 46 Ca 0.07 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1a0u n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a0u s ASP 47 N -4.00 6.37 -0.06 1.61 2.15 -1.26 -4.83 116.67 116.64 1a0u s ASP 47 Ca 0.00 1.32 0.09 0.00 0.43 0.00 0.00 52.55 54.39 1a0u s ASP 47 Cb 0.00 -2.53 0.14 0.00 -0.30 0.00 0.00 42.92 40.22 1a0u s ASP 47 CO 0.00 -1.32 1.04 0.18 -0.17 0.00 0.00 175.17 174.90 1a0u n LEU 48 N 8.60 1.26 0.23 -1.34 4.77 -1.26 -4.21 117.00 125.05 1a0u n LEU 48 Ca 0.18 -2.00 0.11 0.00 -0.03 0.00 0.00 56.01 54.26 1a0u n LEU 48 Cb 0.46 -0.20 0.68 0.00 -2.33 0.00 0.00 43.42 42.03 1a0u n LEU 48 CO 0.66 0.47 1.09 0.77 -1.33 0.00 0.00 177.39 179.05 1a0u h SER 49 N 0.00 0.00 -5.57 -1.43 4.64 -1.90 -3.43 113.55 105.86 1a0u h SER 49 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1a0u h SER 49 Cb 1.12 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.06 1a0u h SER 49 CO 0.00 0.00 -0.62 0.42 -0.87 0.00 0.00 176.83 175.76 1a0u s THR 50 N -5.01 0.01 0.24 2.95 -4.23 -1.26 -5.01 115.64 103.34 1a0u s THR 50 Ca -0.05 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.42 1a0u s THR 50 Cb 0.17 -2.45 0.21 0.00 1.34 0.00 0.00 72.50 71.78 1a0u s THR 50 CO 0.66 -0.06 1.83 -0.65 -0.54 0.00 0.00 174.62 175.86 1a0u h PRO 51 N 2.65 0.84 -0.41 3.99 0.11 -1.99 -1.28 132.00 135.91 1a0u h PRO 51 Ca -0.36 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.56 1a0u h PRO 51 Cb 1.24 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1a0u h PRO 51 CO 0.54 0.56 -0.29 -0.44 -0.21 0.00 0.00 178.00 178.16 1a0u h ASP 52 N 0.87 0.92 -0.53 -2.05 3.32 -1.97 0.41 116.42 117.39 1a0u h ASP 52 Ca 0.38 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1a0u h ASP 52 Cb 0.27 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1a0u h ASP 52 CO -0.21 1.14 0.28 0.00 -1.72 0.00 0.00 179.24 178.73 1a0u h ALA 53 N 0.91 1.45 0.14 3.45 0.00 -1.69 -1.82 119.26 121.71 1a0u h ALA 53 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a0u h ALA 53 Cb 0.85 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1a0u h ALA 53 CO 0.07 0.44 -0.07 0.28 0.00 0.00 0.00 179.25 179.98 1a0u h VAL 54 N 0.78 0.22 -0.73 0.00 2.07 -0.94 -3.03 116.25 114.61 1a0u h VAL 54 Ca 0.20 -0.99 0.11 0.00 0.82 0.00 0.00 66.70 66.83 1a0u h VAL 54 Cb 0.06 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1a0u h VAL 54 CO -0.03 0.07 0.48 0.24 0.02 0.00 0.00 177.57 178.35 1a0u h MET 55 N -1.03 0.57 -0.00 1.57 2.07 -0.93 -2.55 114.93 114.63 1a0u h MET 55 Ca -0.02 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1a0u h MET 55 Cb 0.25 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.86 1a0u h MET 55 CO 0.03 0.37 -0.64 0.41 1.07 0.00 0.00 176.91 178.15 1a0u n GLY 56 N -1.48 -0.79 3.65 8.32 0.00 -0.69 -4.84 105.19 109.36 1a0u n GLY 56 Ca 0.12 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 1a0u n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a0u n ASN 57 N -1.06 3.76 0.06 1.61 2.85 -0.96 -4.86 115.26 116.65 1a0u n ASN 57 Ca 0.07 0.78 0.11 0.00 -0.11 0.00 0.00 54.58 55.42 1a0u n ASN 57 Cb 0.36 -1.48 0.56 0.00 1.24 0.00 0.00 39.78 40.47 1a0u n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1a0u h PRO 58 N 11.11 0.23 -0.24 1.20 0.13 -1.91 -1.67 132.00 140.84 1a0u h PRO 58 Ca -0.47 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 1a0u h PRO 58 Cb 1.25 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1a0u h PRO 58 CO 0.95 0.15 -0.47 0.87 -0.23 0.00 0.00 178.00 179.26 1a0u h LYS 59 N 0.23 0.64 -0.43 0.86 1.57 -1.89 -2.23 116.57 115.33 1a0u h LYS 59 Ca 0.16 -0.37 -0.15 0.00 -1.87 0.00 0.00 60.65 58.42 1a0u h LYS 59 Cb 0.34 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1a0u h LYS 59 CO -0.03 0.98 -0.30 0.28 -0.57 0.00 0.00 179.45 179.80 1a0u h VAL 60 N 0.51 1.27 -0.42 0.50 2.07 -1.65 -1.25 116.25 117.28 1a0u h VAL 60 Ca 0.03 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.05 1a0u h VAL 60 Cb 1.02 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1a0u h VAL 60 CO 0.10 0.50 0.16 0.11 0.02 0.00 0.00 177.57 178.46 1a0u h LYS 61 N 0.81 0.64 -0.43 1.57 1.57 -1.27 0.14 116.57 119.60 1a0u h LYS 61 Ca 0.09 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1a0u h LYS 61 Cb 0.89 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1a0u h LYS 61 CO 0.08 0.60 -0.10 0.00 -0.57 0.00 0.00 179.45 179.46 1a0u h ALA 62 N 1.01 0.59 -0.19 3.86 0.00 -1.36 -2.17 119.26 121.00 1a0u h ALA 62 Ca 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1a0u h ALA 62 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1a0u h ALA 62 CO -0.01 0.47 -0.01 1.25 0.00 0.00 0.00 179.25 180.94 1a0u h HIS 63 N 0.65 0.37 -0.89 0.00 -0.00 -1.13 -2.53 115.15 111.62 1a0u h HIS 63 Ca 0.11 -0.07 0.11 0.00 -0.00 0.00 0.00 60.37 60.52 1a0u h HIS 63 Cb 0.63 -0.09 -0.07 0.00 -0.00 0.00 0.00 27.41 27.88 1a0u h HIS 63 CO 0.05 0.56 0.57 0.78 -0.00 0.00 0.00 177.93 179.89 1a0u h GLY 64 N 0.08 1.27 1.46 5.26 0.00 -0.66 -0.02 103.07 110.46 1a0u h GLY 64 Ca 0.05 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 1a0u h GLY 64 CO 0.01 0.17 -0.35 1.70 0.00 0.00 0.00 176.54 178.07 1a0u h LYS 65 N 0.83 0.60 0.20 4.80 3.64 -1.30 -1.25 116.57 124.10 1a0u h LYS 65 Ca 0.42 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1a0u h LYS 65 Cb 0.49 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1a0u h LYS 65 CO -0.19 0.87 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.55 1a0u h LYS 66 N 0.51 -0.26 -0.27 1.90 3.64 -0.69 -0.62 116.57 120.78 1a0u h LYS 66 Ca 0.05 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1a0u h LYS 66 Cb 0.85 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1a0u h LYS 66 CO 0.07 0.03 0.08 0.28 -2.27 0.00 0.00 179.45 177.64 1a0u h VAL 67 N -0.55 0.91 0.00 2.00 2.07 -1.03 -1.69 116.25 117.97 1a0u h VAL 67 Ca -0.03 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1a0u h VAL 67 Cb 0.41 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1a0u h VAL 67 CO 0.04 0.03 -0.32 -0.07 0.02 0.00 0.00 177.57 177.28 1a0u h LEU 68 N 0.19 0.00 0.14 2.57 3.38 -1.23 -1.71 115.31 118.65 1a0u h LEU 68 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1a0u h LEU 68 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1a0u h LEU 68 CO -0.14 0.32 -0.07 1.23 0.09 0.00 0.00 178.44 179.88 1a0u h GLY 69 N 1.92 -0.19 1.20 0.83 0.00 -0.52 0.16 103.07 106.47 1a0u h GLY 69 Ca -0.00 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1a0u h GLY 69 CO 0.04 -0.07 0.54 0.00 0.00 0.00 0.00 176.54 177.05 1a0u h ALA 70 N 0.50 1.41 -0.37 3.60 0.00 -1.05 -2.48 119.26 120.88 1a0u h ALA 70 Ca -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1a0u h ALA 70 Cb 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1a0u h ALA 70 CO 0.03 0.54 0.08 0.35 0.00 0.00 0.00 179.25 180.26 1a0u h PHE 71 N 1.11 0.62 -0.92 0.00 3.04 -1.01 -2.42 116.94 117.35 1a0u h PHE 71 Ca 0.30 -0.08 0.02 0.00 3.98 0.00 0.00 57.97 62.19 1a0u h PHE 71 Cb -0.13 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 38.16 1a0u h PHE 71 CO 0.00 0.62 0.61 0.77 -2.02 0.00 0.00 178.31 178.29 1a0u h SER 72 N 0.44 1.03 -0.53 0.41 0.02 -0.25 -0.49 113.55 114.17 1a0u h SER 72 Ca 0.11 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1a0u h SER 72 Cb 0.32 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1a0u h SER 72 CO 0.00 0.73 0.20 0.44 -1.14 0.00 0.00 176.83 177.06 1a0u h ASP 73 N 1.20 0.78 -0.78 3.07 5.19 -1.21 -1.66 116.42 123.03 1a0u h ASP 73 Ca 0.35 -0.11 0.03 0.00 -0.62 0.00 0.00 57.03 56.68 1a0u h ASP 73 Cb -0.07 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.20 1a0u h ASP 73 CO -0.09 0.73 0.51 1.23 -3.12 0.00 0.00 179.24 178.50 1a0u h GLY 74 N 0.97 1.09 2.00 2.75 0.00 -0.63 -1.63 103.07 107.62 1a0u h GLY 74 Ca 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1a0u h GLY 74 CO -0.01 0.34 0.00 1.04 0.00 0.00 0.00 176.54 177.91 1a0u n LEU 75 N -4.45 0.34 -0.66 3.11 4.77 -0.62 -1.85 117.00 117.64 1a0u n LEU 75 Ca 0.10 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.80 1a0u n LEU 75 Cb 0.10 -0.58 0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1a0u n LEU 75 CO 0.35 -0.52 0.44 0.00 -1.33 0.00 0.00 177.39 176.33 1a0u n ALA 76 N -1.65 3.13 -2.58 -1.18 0.00 -0.61 -4.31 120.51 113.31 1a0u n ALA 76 Ca 0.02 -0.65 -0.11 0.00 0.00 0.00 0.00 53.44 52.70 1a0u n ALA 76 Cb 0.14 -0.82 0.03 0.00 0.00 0.00 0.00 19.45 18.81 1a0u n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a0u n HIS 77 N 0.47 1.81 0.14 0.00 8.25 -0.77 -4.88 115.22 120.23 1a0u n HIS 77 Ca 0.11 -2.46 0.09 0.00 -0.26 0.00 0.00 57.72 55.20 1a0u n HIS 77 Cb 0.51 -0.27 0.48 0.00 1.12 0.00 0.00 29.99 31.83 1a0u n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1a0u n LEU 78 N -0.46 0.46 0.10 2.41 4.32 -1.16 -0.56 117.00 122.11 1a0u n LEU 78 Ca 0.19 0.71 -0.18 0.00 -0.02 0.00 0.00 56.01 56.71 1a0u n LEU 78 Cb 0.82 -0.76 -0.14 0.00 -1.62 0.00 0.00 43.42 41.72 1a0u n LEU 78 CO 0.22 -0.86 -0.18 -0.78 -1.22 0.00 0.00 177.39 174.57 1a0u h ASP 79 N 0.00 0.49 -2.03 -1.43 1.82 -1.90 -3.41 116.42 109.96 1a0u h ASP 79 Ca 0.00 -0.57 -0.54 0.00 -0.39 0.00 0.00 57.03 55.53 1a0u h ASP 79 Cb 0.04 -0.16 -0.40 0.00 0.68 0.00 0.00 39.33 39.50 1a0u h ASP 79 CO 0.00 1.45 -1.06 -3.20 -1.61 0.00 0.00 179.24 174.82 1a0u n ASN 80 N -3.54 0.90 -0.11 2.28 5.15 0.28 -4.95 115.26 115.27 1a0u n ASN 80 Ca -0.13 -2.90 -0.12 0.00 -0.60 0.00 0.00 54.58 50.83 1a0u n ASN 80 Cb 1.05 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 39.63 1a0u n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1a0u h LEU 81 N 3.69 0.77 -0.40 1.20 3.38 -1.77 -1.01 115.31 121.17 1a0u h LEU 81 Ca 0.09 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.69 1a0u h LEU 81 Cb 0.87 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1a0u h LEU 81 CO 0.52 1.03 0.15 0.11 0.09 0.00 0.00 178.44 180.34 1a0u h LYS 82 N 0.52 0.30 -0.12 1.13 1.57 -1.90 0.28 116.57 118.34 1a0u h LYS 82 Ca 0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1a0u h LYS 82 Cb 0.76 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1a0u h LYS 82 CO 0.06 0.20 0.05 0.78 -0.57 0.00 0.00 179.45 179.96 1a0u h GLY 83 N 0.31 0.20 0.28 3.86 0.00 -1.94 -1.51 103.07 104.27 1a0u h GLY 83 Ca 0.18 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.48 1a0u h GLY 83 CO -0.19 0.11 -0.02 -0.84 0.00 0.00 0.00 176.54 175.60 1a0u h THR 84 N 0.04 0.66 -0.24 4.70 2.02 -0.54 -2.86 112.91 116.67 1a0u h THR 84 Ca 0.04 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1a0u h THR 84 Cb 0.19 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1a0u h THR 84 CO -0.00 0.02 0.00 0.49 0.37 0.00 0.00 175.52 176.39 1a0u n PHE 85 N -5.23 0.31 -0.09 3.16 3.72 0.93 -4.61 117.46 115.65 1a0u n PHE 85 Ca 0.03 -0.15 -0.06 0.00 -0.05 0.00 0.00 57.45 57.21 1a0u n PHE 85 Cb 0.23 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 1a0u n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a0u h ALA 86 N 4.20 0.34 -0.21 4.37 0.00 -1.03 0.30 119.26 127.22 1a0u h ALA 86 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1a0u h ALA 86 Cb 0.65 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1a0u h ALA 86 CO 0.00 -0.34 -0.26 1.79 0.00 0.00 0.00 179.25 180.43 1a0u h THR 87 N 0.18 1.26 -0.33 0.00 1.35 -1.82 -2.05 112.91 111.51 1a0u h THR 87 Ca 0.15 -1.25 -0.09 0.00 -0.55 0.00 0.00 66.41 64.67 1a0u h THR 87 Cb 0.17 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1a0u h THR 87 CO -0.20 0.39 -0.15 0.25 -0.25 0.00 0.00 175.52 175.56 1a0u h LEU 88 N 0.36 0.70 -0.50 3.87 5.85 -1.79 -1.79 115.31 122.01 1a0u h LEU 88 Ca 0.05 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1a0u h LEU 88 Cb 0.66 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1a0u h LEU 88 CO 0.05 0.94 0.23 -1.28 -0.34 0.00 0.00 178.44 178.04 1a0u h SER 89 N 0.45 0.31 -0.70 1.25 0.87 -0.20 -0.38 113.55 115.15 1a0u h SER 89 Ca 0.07 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1a0u h SER 89 Cb 0.68 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1a0u h SER 89 CO 0.05 0.21 0.28 -0.33 -0.53 0.00 0.00 176.83 176.51 1a0u h GLU 90 N 0.45 1.05 -0.16 2.24 5.08 -1.24 -2.30 114.58 119.70 1a0u h GLU 90 Ca 0.23 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1a0u h GLU 90 Cb 0.17 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1a0u h GLU 90 CO -0.18 0.87 0.08 1.25 -1.00 0.00 0.00 179.01 180.02 1a0u h LEU 91 N 1.00 0.20 -1.20 1.33 5.85 -0.89 0.68 115.31 122.29 1a0u h LEU 91 Ca 0.23 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1a0u h LEU 91 Cb 0.21 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1a0u h LEU 91 CO -0.02 0.25 0.54 0.45 -0.34 0.00 0.00 178.44 179.33 1a0u h HIS 92 N 0.14 1.03 0.06 1.25 3.86 -0.91 0.25 115.15 120.82 1a0u h HIS 92 Ca 0.05 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1a0u h HIS 92 Cb 0.10 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.23 1a0u h HIS 92 CO -0.03 0.64 -0.03 0.00 0.86 0.00 0.00 177.93 179.37 1a0u h ASP 94 N -0.15 0.42 0.00 0.00 3.32 -0.87 -2.83 116.42 116.31 1a0u h ASP 94 Ca -0.01 -0.22 -0.35 0.00 0.02 0.00 0.00 57.03 56.47 1a0u h ASP 94 Cb 0.06 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 1a0u h ASP 94 CO 0.01 0.88 -2.20 0.29 -1.72 0.00 0.00 179.24 176.50 1a0u n LYS 95 N -3.94 0.47 0.06 3.56 4.01 0.76 -4.73 118.16 118.36 1a0u n LYS 95 Ca -0.02 0.18 -0.05 0.00 -0.51 0.00 0.00 58.31 57.91 1a0u n LYS 95 Cb 0.58 -1.31 -0.09 0.00 -0.51 0.00 0.00 35.03 33.70 1a0u n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1a0u h LEU 96 N -0.58 0.00 -1.54 -0.35 3.38 -1.22 -3.49 115.31 111.52 1a0u h LEU 96 Ca -0.53 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.08 1a0u h LEU 96 Cb 1.54 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.44 1a0u h LEU 96 CO -0.27 0.85 -0.77 1.41 0.09 0.00 0.00 178.44 179.76 1a0u n HIS 97 N -3.23 -2.26 -3.31 1.13 8.25 0.13 -4.97 115.22 110.95 1a0u n HIS 97 Ca -0.03 0.94 -0.41 0.00 -0.26 0.00 0.00 57.72 57.96 1a0u n HIS 97 Cb 0.91 -4.96 -0.08 0.00 1.12 0.00 0.00 29.99 26.97 1a0u n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1a0u s VAL 98 N -3.40 5.09 0.09 1.59 1.01 -0.42 -5.02 120.40 119.35 1a0u s VAL 98 Ca 0.10 0.27 -0.32 0.00 0.00 0.00 0.00 61.98 62.03 1a0u s VAL 98 Cb -0.05 -3.88 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 1a0u s VAL 98 CO 0.74 -0.12 1.79 -0.67 0.00 0.00 0.00 175.10 176.84 1a0u n ASP 99 N 5.56 3.73 0.31 3.32 -0.08 -1.26 -4.73 116.55 123.40 1a0u n ASP 99 Ca -0.07 1.01 0.20 0.00 -1.51 0.00 0.00 54.79 54.42 1a0u n ASP 99 Cb 0.49 -1.49 1.06 0.00 2.34 0.00 0.00 41.12 43.52 1a0u n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1a0u h PRO 100 N 8.10 0.00 -0.06 -0.67 0.11 -1.97 -0.95 132.00 136.56 1a0u h PRO 100 Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1a0u h PRO 100 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a0u h PRO 100 CO 0.94 0.00 0.05 1.49 -0.21 0.00 0.00 178.00 180.26 1a0u h GLU 101 N 0.00 0.00 -0.84 1.05 4.57 -1.98 -0.44 114.58 116.95 1a0u h GLU 101 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 1a0u h GLU 101 Cb 0.14 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 1a0u h GLU 101 CO 0.00 0.00 0.55 -0.91 -1.18 0.00 0.00 179.01 177.47 1a0u h ASN 102 N 0.00 0.85 -0.06 1.04 -0.26 -1.53 -0.59 115.58 115.03 1a0u h ASN 102 Ca 0.03 -0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.71 1a0u h ASN 102 Cb 0.12 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 1a0u h ASN 102 CO -0.00 0.57 -0.13 -0.26 -1.06 0.00 0.00 177.43 176.54 1a0u h PHE 103 N 0.98 0.40 0.04 1.19 0.04 -1.25 -1.56 116.94 116.78 1a0u h PHE 103 Ca 0.35 -0.06 -0.25 0.00 2.80 0.00 0.00 57.97 60.81 1a0u h PHE 103 Cb 0.14 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.19 1a0u h PHE 103 CO -0.00 0.51 -1.06 0.00 -0.60 0.00 0.00 178.31 177.16 1a0u h ARG 104 N 0.36 0.46 -0.07 1.51 3.08 -1.10 -2.44 114.38 116.17 1a0u h ARG 104 Ca 0.07 -0.55 0.01 0.00 0.07 0.00 0.00 59.98 59.58 1a0u h ARG 104 Cb 0.45 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1a0u h ARG 104 CO 0.03 1.20 0.00 -0.07 -1.07 0.00 0.00 179.97 180.06 1a0u h LEU 105 N 0.23 -0.02 -1.10 3.04 3.38 -1.15 -1.62 115.31 118.06 1a0u h LEU 105 Ca -0.11 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1a0u h LEU 105 Cb 1.72 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.44 1a0u h LEU 105 CO 0.19 0.00 0.61 0.25 0.09 0.00 0.00 178.44 179.58 1a0u h LEU 106 N 0.03 0.98 -0.48 1.67 5.85 -1.32 -1.23 115.31 120.80 1a0u h LEU 106 Ca 0.03 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1a0u h LEU 106 Cb 0.03 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1a0u h LEU 106 CO -0.05 0.66 0.31 1.23 -0.34 0.00 0.00 178.44 180.25 1a0u h GLY 107 N 1.13 0.68 0.97 3.75 0.00 -0.90 0.33 103.07 109.04 1a0u h GLY 107 Ca 0.38 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1a0u h GLY 107 CO -0.13 0.22 0.13 3.43 0.00 0.00 0.00 176.54 180.20 1a0u h ASN 108 N 0.62 0.74 -0.27 0.19 2.35 -0.64 -1.64 115.58 116.93 1a0u h ASN 108 Ca 0.18 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1a0u h ASN 108 Cb -0.04 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1a0u h ASN 108 CO -0.06 0.77 0.18 0.58 -1.65 0.00 0.00 177.43 177.25 1a0u h VAL 109 N 0.67 1.08 -0.66 2.81 2.07 -0.97 -2.19 116.25 119.05 1a0u h VAL 109 Ca 0.16 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1a0u h VAL 109 Cb 0.31 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1a0u h VAL 109 CO -0.00 0.07 0.33 0.25 0.02 0.00 0.00 177.57 178.24 1a0u h LEU 110 N 0.37 0.43 -0.99 2.57 5.85 -0.10 -0.16 115.31 123.28 1a0u h LEU 110 Ca 0.10 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1a0u h LEU 110 Cb -0.03 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1a0u h LEU 110 CO -0.02 0.26 0.65 0.58 -0.34 0.00 0.00 178.44 179.57 1a0u h VAL 111 N 0.58 1.17 -0.48 1.05 2.07 -0.96 0.16 116.25 119.84 1a0u h VAL 111 Ca 0.32 -0.43 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1a0u h VAL 111 Cb 0.30 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1a0u h VAL 111 CO -0.24 0.23 -0.12 0.00 0.02 0.00 0.00 177.57 177.45 1a0u h VAL 113 N 0.79 1.20 -0.29 0.00 2.07 -0.21 0.17 116.25 119.97 1a0u h VAL 113 Ca 0.13 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1a0u h VAL 113 Cb 0.65 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1a0u h VAL 113 CO 0.04 0.22 -0.14 -0.07 0.02 0.00 0.00 177.57 177.65 1a0u h LEU 114 N 0.58 0.49 -0.25 2.57 3.38 -0.89 -1.49 115.31 119.71 1a0u h LEU 114 Ca 0.15 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1a0u h LEU 114 Cb 0.17 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1a0u h LEU 114 CO -0.01 0.67 -0.33 0.00 0.09 0.00 0.00 178.44 178.85 1a0u h ALA 115 N 1.38 0.37 -0.45 1.53 0.00 -0.86 -0.73 119.26 120.51 1a0u h ALA 115 Ca 0.08 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1a0u h ALA 115 Cb 0.53 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1a0u h ALA 115 CO 0.03 0.42 0.14 1.25 0.00 0.00 0.00 179.25 181.10 1a0u h HIS 116 N 0.38 0.25 -0.05 0.00 -0.00 -0.34 -1.08 115.15 114.31 1a0u h HIS 116 Ca 0.03 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.36 1a0u h HIS 116 Cb 0.91 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 1a0u h HIS 116 CO 0.08 0.08 -0.20 0.45 -0.00 0.00 0.00 177.93 178.34 1a0u h HIS 117 N 0.30 0.29 -0.01 5.26 -0.00 -1.27 -3.36 115.15 116.37 1a0u h HIS 117 Ca 0.21 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1a0u h HIS 117 Cb 0.23 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1a0u h HIS 117 CO -0.17 0.83 -0.40 1.19 -0.00 0.00 0.00 177.93 179.38 1a0u n PHE 118 N -4.55 0.00 -0.54 2.45 3.72 -0.28 -5.02 117.46 113.23 1a0u n PHE 118 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1a0u n PHE 118 Cb 0.43 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1a0u n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a0u n GLY 119 N 1.39 2.93 0.34 1.37 0.00 -0.41 -1.40 105.19 109.40 1a0u n GLY 119 Ca 0.10 -0.10 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1a0u n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a0u h LYS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.96 -0.91 116.57 115.31 1a0u h LYS 120 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 1a0u h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1a0u h LYS 120 CO 0.00 0.00 -0.13 1.49 -0.00 0.00 0.00 179.45 180.81 1a0u h GLU 121 N 0.00 0.00 -4.20 0.07 4.81 -1.63 -3.30 114.58 110.34 1a0u h GLU 121 Ca 0.05 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.53 1a0u h GLU 121 Cb 0.44 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.66 1a0u h GLU 121 CO -0.00 0.13 1.71 0.34 -0.73 0.00 0.00 179.01 180.45 1a0u n PHE 122 N -3.46 4.02 -1.40 0.92 7.35 -0.35 -4.94 117.46 119.60 1a0u n PHE 122 Ca -0.01 -3.08 -0.32 0.00 -0.76 0.00 0.00 57.45 53.28 1a0u n PHE 122 Cb 0.29 -2.09 0.08 0.00 0.35 0.00 0.00 39.48 38.10 1a0u n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a0u s THR 123 N 1.10 3.34 0.23 -2.13 -4.23 -1.24 -4.73 115.64 107.98 1a0u s THR 123 Ca 0.42 0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 61.28 1a0u s THR 123 Cb 0.03 -2.99 0.29 0.00 1.34 0.00 0.00 72.50 71.17 1a0u s THR 123 CO 0.00 -0.52 1.59 -0.65 -0.54 0.00 0.00 174.62 174.51 1a0u h PRO 124 N -0.80 -0.03 0.00 3.99 0.11 -1.94 0.39 132.00 133.72 1a0u h PRO 124 Ca -0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 1a0u h PRO 124 Cb 1.23 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1a0u h PRO 124 CO 0.52 -0.02 -0.28 -1.35 -0.21 0.00 0.00 178.00 176.67 1a0u h PRO 125 N -0.03 0.00 -0.03 1.05 0.11 -1.99 -1.38 132.00 129.73 1a0u h PRO 125 Ca 0.35 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.23 1a0u h PRO 125 Cb 0.57 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.69 1a0u h PRO 125 CO -0.80 0.28 -0.92 0.28 -0.21 0.00 0.00 178.00 176.63 1a0u h VAL 126 N 0.00 1.35 -0.46 3.15 2.07 -0.74 -2.89 116.25 118.73 1a0u h VAL 126 Ca -0.00 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 1a0u h VAL 126 Cb 0.60 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1a0u h VAL 126 CO 0.04 0.70 0.24 -0.61 0.02 0.00 0.00 177.57 177.96 1a0u h GLN 127 N 0.32 0.65 -0.92 1.57 4.15 -0.23 -1.99 115.11 118.65 1a0u h GLN 127 Ca -0.08 -0.08 0.08 0.00 0.77 0.00 0.00 58.65 59.33 1a0u h GLN 127 Cb 1.55 -0.12 -0.07 0.00 0.21 0.00 0.00 27.48 29.05 1a0u h GLN 127 CO 0.17 0.53 0.57 0.00 -1.93 0.00 0.00 178.83 178.17 1a0u h ALA 128 N 1.09 1.30 -0.04 3.38 0.00 -1.22 0.27 119.26 124.04 1a0u h ALA 128 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1a0u h ALA 128 Cb 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1a0u h ALA 128 CO -0.02 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1a0u h ALA 129 N 1.46 0.05 -0.48 0.00 0.00 -1.28 -2.47 119.26 116.53 1a0u h ALA 129 Ca 0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1a0u h ALA 129 Cb 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1a0u h ALA 129 CO -0.21 -0.30 0.28 1.88 0.00 0.00 0.00 179.25 180.90 1a0u h TYR 130 N -0.20 0.63 -0.56 0.00 0.05 -0.82 -1.58 116.97 114.48 1a0u h TYR 130 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1a0u h TYR 130 Cb 0.29 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1a0u h TYR 130 CO 0.02 0.43 0.35 1.96 -1.05 0.00 0.00 178.16 179.87 1a0u h GLN 131 N 0.66 0.75 -0.81 4.88 1.08 -0.31 0.20 115.11 121.56 1a0u h GLN 131 Ca 0.17 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 1a0u h GLN 131 Cb -0.01 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.22 1a0u h GLN 131 CO -0.03 0.52 0.39 0.87 -0.95 0.00 0.00 178.83 179.63 1a0u h LYS 132 N 0.76 1.16 0.00 1.46 1.57 -0.89 -2.68 116.57 117.96 1a0u h LYS 132 Ca 0.20 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1a0u h LYS 132 Cb -0.05 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1a0u h LYS 132 CO -0.04 0.89 -0.00 0.28 -0.57 0.00 0.00 179.45 180.01 1a0u h VAL 133 N 1.15 1.29 -0.24 0.50 2.07 -0.65 -1.27 116.25 119.09 1a0u h VAL 133 Ca 0.28 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1a0u h VAL 133 Cb 0.11 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1a0u h VAL 133 CO -0.04 0.22 0.04 -0.37 0.02 0.00 0.00 177.57 177.44 1a0u h VAL 134 N -0.37 1.13 -0.25 2.57 -1.51 -0.97 0.34 116.25 117.19 1a0u h VAL 134 Ca -0.00 -0.48 -0.12 0.00 -1.23 0.00 0.00 66.70 64.87 1a0u h VAL 134 Cb 0.37 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1a0u h VAL 134 CO 0.00 0.17 -0.33 0.00 -1.23 0.00 0.00 177.57 176.18 1a0u h ALA 135 N 1.71 0.37 -0.57 5.19 0.00 -1.43 -0.44 119.26 124.09 1a0u h ALA 135 Ca 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1a0u h ALA 135 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1a0u h ALA 135 CO -0.00 0.42 0.34 0.78 0.00 0.00 0.00 179.25 180.79 1a0u h GLY 136 N 0.37 0.83 0.90 0.00 0.00 -0.60 0.54 103.07 105.11 1a0u h GLY 136 Ca 0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1a0u h GLY 136 CO 0.08 0.34 0.05 -2.08 0.00 0.00 0.00 176.54 174.93 1a0u h VAL 137 N 0.77 1.23 -0.99 4.60 2.07 -0.86 0.65 116.25 123.72 1a0u h VAL 137 Ca 0.21 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1a0u h VAL 137 Cb -0.01 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1a0u h VAL 137 CO -0.04 0.27 0.65 0.00 0.02 0.00 0.00 177.57 178.47 1a0u h ALA 138 N 0.89 1.31 -0.42 1.67 0.00 -0.69 0.19 119.26 122.21 1a0u h ALA 138 Ca 0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1a0u h ALA 138 Cb 0.35 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1a0u h ALA 138 CO 0.01 0.55 0.01 -0.91 0.00 0.00 0.00 179.25 178.91 1a0u h ASN 139 N 1.27 0.71 -0.62 0.00 -0.26 -0.65 -1.99 115.58 114.04 1a0u h ASN 139 Ca 0.39 -0.30 -0.05 0.00 -0.56 0.00 0.00 56.30 55.78 1a0u h ASN 139 Cb -0.02 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.02 1a0u h ASN 139 CO -0.12 0.84 0.21 0.00 -1.06 0.00 0.00 177.43 177.30 1a0u h ALA 140 N 0.90 1.15 0.00 -0.83 0.00 -0.31 -1.45 119.26 118.72 1a0u h ALA 140 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a0u h ALA 140 Cb 0.47 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a0u h ALA 140 CO 0.02 0.59 -0.00 -0.07 0.00 0.00 0.00 179.25 179.79 1a0u h LEU 141 N 0.95 0.00 -0.18 0.00 3.38 -0.36 -3.05 115.31 116.05 1a0u h LEU 141 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1a0u h LEU 141 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1a0u h LEU 141 CO -0.01 0.00 -0.86 0.00 0.09 0.00 0.00 178.44 177.66 1a0u n ALA 142 N -2.09 4.43 -0.09 1.53 0.00 -0.77 -4.39 120.51 119.13 1a0u n ALA 142 Ca 0.01 -0.58 0.11 0.00 0.00 0.00 0.00 53.44 52.97 1a0u n ALA 142 Cb 0.33 -0.81 0.48 0.00 0.00 0.00 0.00 19.45 19.45 1a0u n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1a0u h HIS 143 N 0.43 0.49 -0.39 0.00 2.07 -1.17 -1.59 115.15 114.99 1a0u h HIS 143 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1a0u h HIS 143 Cb 0.54 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 30.36 1a0u h HIS 143 CO 0.00 0.24 0.00 1.63 -3.07 0.00 0.00 177.93 176.73 1a0u n LYS 144 N -4.47 1.98 -2.44 5.12 4.76 -1.26 -4.92 118.16 116.92 1a0u n LYS 144 Ca 0.09 -1.51 -0.34 0.00 -2.87 0.00 0.00 58.31 53.68 1a0u n LYS 144 Cb 0.33 -1.35 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 1a0u n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1a0u s TYR 145 N -1.49 2.91 0.00 2.13 1.51 -0.60 -4.78 117.35 117.04 1a0u s TYR 145 Ca 0.30 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.92 1a0u s TYR 145 Cb 0.16 -3.12 0.00 0.00 -0.11 0.00 0.00 41.96 38.89 1a0u s TYR 145 CO 0.21 -1.03 0.00 -2.39 -1.11 0.00 0.00 175.55 171.23