#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y7d n HIS 2 N 0.00 3.21 -3.90 2.03 -0.00 -1.26 -4.97 115.22 110.33 1y7d n HIS 2 Ca 0.00 -2.87 -0.36 0.00 -0.00 0.00 0.00 57.72 54.49 1y7d n HIS 2 Cb 0.00 -0.85 -0.07 0.00 -0.00 0.00 0.00 29.99 29.07 1y7d n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y7d s LEU 3 N -3.94 4.19 0.32 0.27 1.43 -1.26 -5.08 118.68 114.61 1y7d s LEU 3 Ca 0.47 0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.62 1y7d s LEU 3 Cb 0.32 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 44.41 1y7d s LEU 3 CO -0.23 0.31 0.98 -0.89 0.23 0.00 0.00 176.35 176.75 1y7d s THR 4 N -0.44 4.00 0.34 5.49 2.01 -1.26 -4.82 115.64 120.96 1y7d s THR 4 Ca 0.11 1.72 0.11 0.00 0.31 0.00 0.00 61.69 63.94 1y7d s THR 4 Cb -0.12 -3.98 0.33 0.00 0.01 0.00 0.00 72.50 68.74 1y7d s THR 4 CO 0.02 0.19 1.76 1.55 -0.69 0.00 0.00 174.62 177.44 1y7d h PRO 5 N 3.24 0.57 -0.64 4.92 0.13 -1.98 0.91 132.00 139.15 1y7d h PRO 5 Ca -0.47 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 1y7d h PRO 5 Cb 1.20 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1y7d h PRO 5 CO 0.65 0.37 0.07 0.93 -0.23 0.00 0.00 178.00 179.80 1y7d h GLU 6 N 0.58 1.08 -0.27 0.86 3.07 -1.99 0.72 114.58 118.64 1y7d h GLU 6 Ca 0.61 -0.31 -0.16 0.00 -0.50 0.00 0.00 59.36 59.00 1y7d h GLU 6 Cb 1.20 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 1y7d h GLU 6 CO -0.39 1.01 -0.46 0.93 -1.40 0.00 0.00 179.01 178.70 1y7d h GLU 7 N 1.00 0.71 -0.06 2.33 5.08 0.04 -1.97 114.58 121.70 1y7d h GLU 7 Ca 0.19 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1y7d h GLU 7 Cb 0.48 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1y7d h GLU 7 CO 0.02 1.01 0.03 0.87 -1.00 0.00 0.00 179.01 179.95 1y7d h LYS 8 N 0.56 0.09 -0.46 2.33 1.57 0.75 -2.46 116.57 118.95 1y7d h LYS 8 Ca 0.03 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1y7d h LYS 8 Cb 1.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1y7d h LYS 8 CO 0.10 0.16 0.11 0.66 -0.57 0.00 0.00 179.45 179.91 1y7d h SER 9 N -0.01 0.63 -0.20 0.86 4.64 -0.77 -2.20 113.55 116.51 1y7d h SER 9 Ca 0.02 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1y7d h SER 9 Cb 0.10 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1y7d h SER 9 CO -0.00 0.63 0.05 0.00 -0.87 0.00 0.00 176.83 176.63 1y7d h ALA 10 N 1.46 0.26 0.91 5.18 0.00 -1.14 -1.11 119.26 124.83 1y7d h ALA 10 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1y7d h ALA 10 Cb 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1y7d h ALA 10 CO -0.00 -0.09 -0.44 0.28 0.00 0.00 0.00 179.25 179.00 1y7d h VAL 11 N 0.14 0.10 -0.58 0.00 2.07 -1.34 -2.78 116.25 113.86 1y7d h VAL 11 Ca 0.06 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.69 1y7d h VAL 11 Cb 0.27 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.04 1y7d h VAL 11 CO 0.00 0.00 0.03 0.74 0.02 0.00 0.00 177.57 178.36 1y7d h THR 12 N -1.23 0.55 -0.60 2.57 2.02 -1.43 -1.75 112.91 113.03 1y7d h THR 12 Ca -0.13 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 1y7d h THR 12 Cb 0.94 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1y7d h THR 12 CO 0.21 0.03 0.09 0.00 0.37 0.00 0.00 175.52 176.21 1y7d h ALA 13 N 1.51 1.02 -0.05 6.16 0.00 -1.18 -2.93 119.26 123.79 1y7d h ALA 13 Ca 0.30 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 1y7d h ALA 13 Cb 0.48 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1y7d h ALA 13 CO -0.47 0.62 -0.93 1.25 0.00 0.00 0.00 179.25 179.72 1y7d h LEU 14 N 0.92 0.85 -1.48 0.00 7.12 -1.17 -3.26 115.31 118.30 1y7d h LEU 14 Ca 0.19 -0.64 0.05 0.00 0.13 0.00 0.00 57.88 57.61 1y7d h LEU 14 Cb 0.42 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 40.25 1y7d h LEU 14 CO 0.01 1.43 0.41 -0.25 -0.13 0.00 0.00 178.44 179.91 1y7d h TRP 15 N 0.42 0.64 -0.29 1.25 2.91 -1.25 -1.37 115.95 118.26 1y7d h TRP 15 Ca -0.09 0.02 0.04 0.00 1.13 0.00 0.00 58.89 59.98 1y7d h TRP 15 Cb 1.57 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.99 1y7d h TRP 15 CO 0.09 0.36 0.20 0.78 -1.03 0.00 0.00 178.44 178.83 1y7d h GLY 16 N 0.65 0.26 0.09 2.65 0.00 -1.55 -0.94 103.07 104.23 1y7d h GLY 16 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1y7d h GLY 16 CO -0.08 0.07 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1y7d n LYS 17 N -4.49 1.41 -3.10 4.80 5.02 -0.52 -4.94 118.16 116.35 1y7d n LYS 17 Ca 0.03 -0.59 -0.39 0.00 -2.02 0.00 0.00 58.31 55.33 1y7d n LYS 17 Cb 0.20 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 1y7d n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y7d s VAL 18 N -2.00 4.92 -0.57 -0.18 1.01 -0.36 -5.04 120.40 118.19 1y7d s VAL 18 Ca 0.42 1.40 -0.20 0.00 0.00 0.00 0.00 61.98 63.59 1y7d s VAL 18 Cb 0.21 -4.01 0.07 0.00 0.00 0.00 0.00 36.38 32.65 1y7d s VAL 18 CO 0.35 0.35 0.76 0.21 0.00 0.00 0.00 175.10 176.76 1y7d s ASN 19 N 0.20 6.22 0.39 3.32 3.84 -1.26 -4.91 114.94 122.73 1y7d s ASN 19 Ca 0.35 -1.01 0.07 0.00 0.21 0.00 0.00 52.86 52.49 1y7d s ASN 19 Cb -0.19 -2.34 0.81 0.00 -0.55 0.00 0.00 41.25 38.98 1y7d s ASN 19 CO 0.19 -1.11 2.00 0.58 -2.79 0.00 0.00 177.10 175.96 1y7d h VAL 20 N 5.92 1.13 0.43 -5.21 2.07 -1.96 -0.89 116.25 117.75 1y7d h VAL 20 Ca -0.28 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1y7d h VAL 20 Cb 1.08 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1y7d h VAL 20 CO 1.06 0.16 -0.21 0.44 0.02 0.00 0.00 177.57 179.05 1y7d h ASP 21 N 0.46 -0.49 -0.06 0.57 5.19 -1.92 0.10 116.42 120.28 1y7d h ASP 21 Ca 0.11 0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.38 1y7d h ASP 21 Cb 0.11 0.13 0.01 0.00 0.18 0.00 0.00 39.33 39.76 1y7d h ASP 21 CO -0.01 -0.34 -0.58 -0.33 -3.12 0.00 0.00 179.24 174.86 1y7d h GLU 22 N -0.59 0.50 -0.29 3.56 5.08 -1.93 -2.71 114.58 118.19 1y7d h GLU 22 Ca -0.06 -0.46 -0.14 0.00 -1.00 0.00 0.00 59.36 57.70 1y7d h GLU 22 Cb 0.45 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1y7d h GLU 22 CO 0.10 1.09 -0.39 0.28 -1.00 0.00 0.00 179.01 179.09 1y7d h VAL 23 N 0.06 1.29 -0.19 3.13 2.07 -1.18 -2.48 116.25 118.95 1y7d h VAL 23 Ca -0.06 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 1y7d h VAL 23 Cb 1.25 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1y7d h VAL 23 CO 0.12 0.50 -0.00 1.23 0.02 0.00 0.00 177.57 179.44 1y7d h GLY 24 N 0.97 0.37 0.97 2.17 0.00 -0.90 -1.37 103.07 105.28 1y7d h GLY 24 Ca 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1y7d h GLY 24 CO 0.08 0.25 0.04 -1.33 0.00 0.00 0.00 176.54 175.58 1y7d h GLY 25 N 0.09 0.83 1.09 4.60 0.00 -1.48 -2.79 103.07 105.40 1y7d h GLY 25 Ca 0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1y7d h GLY 25 CO 0.01 0.53 0.04 -2.09 0.00 0.00 0.00 176.54 175.04 1y7d h GLU 26 N 0.62 1.10 -0.06 4.80 4.81 -1.44 -1.45 114.58 122.96 1y7d h GLU 26 Ca 0.13 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1y7d h GLU 26 Cb 0.44 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1y7d h GLU 26 CO 0.02 1.04 -0.02 0.00 -0.73 0.00 0.00 179.01 179.32 1y7d h ALA 27 N 1.02 0.08 -0.33 2.92 0.00 -1.25 -0.89 119.26 120.80 1y7d h ALA 27 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1y7d h ALA 27 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1y7d h ALA 27 CO 0.02 -0.20 0.12 1.25 0.00 0.00 0.00 179.25 180.44 1y7d h LEU 28 N -0.25 0.47 -0.04 0.00 5.85 -1.53 -1.69 115.31 118.12 1y7d h LEU 28 Ca 0.01 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1y7d h LEU 28 Cb 0.42 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1y7d h LEU 28 CO 0.01 0.53 0.03 1.23 -0.34 0.00 0.00 178.44 179.89 1y7d h GLY 29 N 0.39 0.06 1.27 3.75 0.00 -1.26 -2.41 103.07 104.86 1y7d h GLY 29 Ca 0.11 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.44 1y7d h GLY 29 CO -0.01 0.02 0.44 3.21 0.00 0.00 0.00 176.54 180.20 1y7d h ARG 30 N 0.04 0.80 -0.02 4.80 3.08 -1.05 -2.20 114.38 119.83 1y7d h ARG 30 Ca 0.02 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1y7d h ARG 30 Cb 0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1y7d h ARG 30 CO -0.00 0.53 -0.16 1.25 -1.07 0.00 0.00 179.97 180.51 1y7d h LEU 31 N 0.82 -0.48 -1.78 3.04 5.85 -0.86 0.17 115.31 122.07 1y7d h LEU 31 Ca 0.26 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 1y7d h LEU 31 Cb 0.02 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1y7d h LEU 31 CO -0.07 -0.22 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.66 1y7d h LEU 32 N -0.26 0.00 0.02 2.25 3.38 -0.95 -2.50 115.31 117.25 1y7d h LEU 32 Ca 0.06 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 1y7d h LEU 32 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1y7d h LEU 32 CO -0.17 0.08 -1.36 0.58 0.09 0.00 0.00 178.44 177.66 1y7d h VAL 33 N 0.00 0.87 -0.17 1.22 2.07 -1.03 -3.32 116.25 115.89 1y7d h VAL 33 Ca -0.00 -2.20 -0.21 0.00 0.82 0.00 0.00 66.70 65.11 1y7d h VAL 33 Cb 0.42 2.25 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1y7d h VAL 33 CO 0.01 0.38 -0.70 0.58 0.02 0.00 0.00 177.57 177.87 1y7d h VAL 34 N -0.86 1.29 -2.48 2.57 2.07 -0.70 -3.36 116.25 114.78 1y7d h VAL 34 Ca -0.36 -1.90 -0.61 0.00 0.82 0.00 0.00 66.70 64.65 1y7d h VAL 34 Cb 1.40 1.94 -0.42 0.00 -1.52 0.00 0.00 31.29 32.69 1y7d h VAL 34 CO -0.17 0.60 -0.58 -1.22 0.02 0.00 0.00 177.57 176.22 1y7d n TYR 35 N -3.99 3.54 0.08 1.57 4.01 -0.94 -4.97 117.16 116.45 1y7d n TYR 35 Ca -0.07 -4.21 0.21 0.00 -0.16 0.00 0.00 57.90 53.67 1y7d n TYR 35 Cb 0.71 -0.58 0.71 0.00 -0.31 0.00 0.00 39.34 39.86 1y7d n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y7d h PRO 36 N 4.56 0.00 0.00 -0.72 0.13 -1.72 -0.86 132.00 133.39 1y7d h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1y7d h PRO 36 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1y7d h PRO 36 CO 0.80 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.68 1y7d h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -2.32 115.95 113.37 1y7d h TRP 37 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.19 1y7d h TRP 37 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.51 1y7d h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1y7d n THR 38 N -2.92 0.84 0.34 0.12 -2.24 -0.33 -2.55 114.28 107.55 1y7d n THR 38 Ca -0.01 0.21 0.08 0.00 -2.27 0.00 0.00 64.05 62.06 1y7d n THR 38 Cb 0.19 -1.09 0.37 0.00 -2.10 0.00 0.00 70.33 67.70 1y7d n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y7d n GLN 39 N -2.07 0.09 0.28 -0.78 6.02 -0.87 -2.83 117.38 117.22 1y7d n GLN 39 Ca 0.03 0.41 0.18 0.00 -0.01 0.00 0.00 57.00 57.60 1y7d n GLN 39 Cb 0.23 -1.70 0.93 0.00 1.02 0.00 0.00 30.24 30.72 1y7d n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y7d h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.72 -1.44 114.38 110.24 1y7d h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y7d h ARG 40 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1y7d h ARG 40 CO 0.00 0.00 -0.88 1.19 0.10 0.00 0.00 179.97 180.38 1y7d n PHE 41 N -3.36 0.23 -2.38 4.08 3.01 -1.13 -4.50 117.46 113.41 1y7d n PHE 41 Ca -0.01 0.07 -0.25 0.00 1.01 0.00 0.00 57.45 58.27 1y7d n PHE 41 Cb 0.27 -0.39 0.01 0.00 -0.01 0.00 0.00 39.48 39.36 1y7d n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y7d n PHE 42 N -1.86 3.15 -0.04 1.38 3.01 -0.54 -4.84 117.46 117.72 1y7d n PHE 42 Ca 0.03 -2.88 -0.08 0.00 1.01 0.00 0.00 57.45 55.52 1y7d n PHE 42 Cb 0.41 -0.15 0.08 0.00 -0.01 0.00 0.00 39.48 39.80 1y7d n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1y7d h GLU 43 N 2.50 0.66 0.00 -1.08 4.39 -1.79 -3.16 114.58 116.10 1y7d h GLU 43 Ca 0.30 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1y7d h GLU 43 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1y7d h GLU 43 CO 0.81 0.93 0.00 -1.13 -1.16 0.00 0.00 179.01 178.46 1y7d n SER 44 N -4.04 0.00 0.17 1.42 3.41 -1.26 -3.40 113.62 109.91 1y7d n SER 44 Ca -0.02 0.13 0.07 0.00 -0.26 0.00 0.00 58.87 58.79 1y7d n SER 44 Cb 0.51 -0.33 0.08 0.00 -0.26 0.00 0.00 64.21 64.22 1y7d n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1y7d h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.95 -3.50 116.94 118.87 1y7d h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1y7d h PHE 45 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.14 1y7d h PHE 45 CO 0.00 0.26 0.00 0.41 -0.18 0.00 0.00 178.31 178.80 1y7d n GLY 46 N 1.18 0.19 3.64 -1.45 0.00 -1.22 -4.75 105.19 102.78 1y7d n GLY 46 Ca 0.02 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1y7d n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y7d s ASP 47 N -4.00 6.89 -0.11 1.61 3.68 -1.26 -4.89 116.67 118.59 1y7d s ASP 47 Ca 0.00 1.10 0.15 0.00 2.13 0.00 0.00 52.55 55.93 1y7d s ASP 47 Cb 0.00 -2.46 0.35 0.00 -1.45 0.00 0.00 42.92 39.36 1y7d s ASP 47 CO 0.00 -0.58 1.17 0.18 0.13 0.00 0.00 175.17 176.07 1y7d n LEU 48 N 6.13 1.85 0.27 -1.34 4.77 -1.26 -4.26 117.00 123.15 1y7d n LEU 48 Ca 0.07 -2.89 0.15 0.00 -0.03 0.00 0.00 56.01 53.31 1y7d n LEU 48 Cb 0.47 -0.30 0.69 0.00 -2.33 0.00 0.00 43.42 41.96 1y7d n LEU 48 CO 0.49 0.90 0.96 0.28 -1.33 0.00 0.00 177.39 178.69 1y7d h SER 49 N 0.72 0.00 -5.17 -1.43 0.02 -1.90 -3.45 113.55 102.34 1y7d h SER 49 Ca -0.07 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1y7d h SER 49 Cb 1.30 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.68 1y7d h SER 49 CO 0.03 0.09 -0.62 0.42 -1.14 0.00 0.00 176.83 175.61 1y7d s THR 50 N -3.83 0.18 0.20 -2.27 -4.23 -1.26 -5.01 115.64 99.42 1y7d s THR 50 Ca -0.01 -1.48 -0.15 0.00 -1.18 0.00 0.00 61.69 58.88 1y7d s THR 50 Cb 0.11 -1.21 0.20 0.00 1.34 0.00 0.00 72.50 72.93 1y7d s THR 50 CO 0.56 -0.82 1.64 -0.65 -0.54 0.00 0.00 174.62 174.81 1y7d h PRO 51 N 3.40 -0.01 -0.43 3.99 0.11 -1.98 0.17 132.00 137.25 1y7d h PRO 51 Ca -0.33 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.82 1y7d h PRO 51 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1y7d h PRO 51 CO 0.59 -0.00 0.17 -0.44 -0.21 0.00 0.00 178.00 178.10 1y7d h ASP 52 N -0.01 0.20 0.45 -2.05 3.32 -1.97 0.51 116.42 116.88 1y7d h ASP 52 Ca 0.27 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 1y7d h ASP 52 Cb 0.42 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1y7d h ASP 52 CO -0.59 0.15 -0.37 0.00 -1.72 0.00 0.00 179.24 176.71 1y7d h ALA 53 N 1.27 1.29 0.05 3.45 0.00 -1.39 -1.42 119.26 122.51 1y7d h ALA 53 Ca 0.20 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y7d h ALA 53 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1y7d h ALA 53 CO -0.18 0.46 -0.02 0.28 0.00 0.00 0.00 179.25 179.78 1y7d h VAL 54 N 0.00 0.79 -0.56 0.00 2.07 0.19 -2.82 116.25 115.93 1y7d h VAL 54 Ca -0.00 -1.48 0.06 0.00 0.82 0.00 0.00 66.70 66.10 1y7d h VAL 54 Cb 0.69 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1y7d h VAL 54 CO 0.05 0.26 0.37 0.24 0.02 0.00 0.00 177.57 178.50 1y7d h MET 55 N -0.98 0.49 0.00 1.57 2.07 -0.01 -2.24 114.93 115.84 1y7d h MET 55 Ca -0.01 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1y7d h MET 55 Cb 0.47 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1y7d h MET 55 CO 0.01 0.33 -0.66 0.78 1.07 0.00 0.00 176.91 178.44 1y7d h GLY 56 N 0.51 0.00 -6.10 8.32 0.00 -1.39 -3.47 103.07 100.94 1y7d h GLY 56 Ca 0.24 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.01 1y7d h GLY 56 CO -0.07 0.00 1.34 0.21 0.00 0.00 0.00 176.54 178.02 1y7d s ASN 57 N -5.16 6.01 0.38 0.19 3.84 -0.84 -4.86 114.94 114.50 1y7d s ASN 57 Ca 0.03 2.26 0.06 0.00 0.21 0.00 0.00 52.86 55.42 1y7d s ASN 57 Cb 0.10 -2.52 0.76 0.00 -0.55 0.00 0.00 41.25 39.04 1y7d s ASN 57 CO 0.74 -1.47 2.00 1.55 -2.79 0.00 0.00 177.10 177.13 1y7d h PRO 58 N 12.57 0.57 -0.06 0.43 0.13 -1.90 -1.41 132.00 142.33 1y7d h PRO 58 Ca -0.45 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1y7d h PRO 58 Cb 1.23 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1y7d h PRO 58 CO 0.95 0.44 -0.36 0.87 -0.23 0.00 0.00 178.00 179.67 1y7d h LYS 59 N 0.57 0.12 -0.00 0.86 1.57 -1.89 -1.96 116.57 115.85 1y7d h LYS 59 Ca 0.15 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1y7d h LYS 59 Cb 0.05 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1y7d h LYS 59 CO -0.02 0.47 -0.01 0.28 -0.57 0.00 0.00 179.45 179.60 1y7d h VAL 60 N 0.11 1.49 -0.64 0.50 2.07 -1.76 -1.48 116.25 116.53 1y7d h VAL 60 Ca 0.01 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.12 1y7d h VAL 60 Cb 0.69 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.88 1y7d h VAL 60 CO 0.05 0.38 0.38 0.11 0.02 0.00 0.00 177.57 178.51 1y7d h LYS 61 N -0.59 0.72 -0.07 1.57 6.56 -1.18 -0.76 116.57 122.82 1y7d h LYS 61 Ca -0.00 -0.04 -0.14 0.00 -1.06 0.00 0.00 60.65 59.40 1y7d h LYS 61 Cb 0.62 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.11 1y7d h LYS 61 CO 0.00 0.48 -0.59 0.00 -2.06 0.00 0.00 179.45 177.28 1y7d h ALA 62 N 1.29 0.87 -0.02 3.86 0.00 -1.40 -2.49 119.26 121.38 1y7d h ALA 62 Ca 0.26 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1y7d h ALA 62 Cb 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1y7d h ALA 62 CO -0.12 0.72 -0.86 1.25 0.00 0.00 0.00 179.25 180.24 1y7d h HIS 63 N 0.17 0.50 -1.00 0.00 -0.00 -0.88 -2.92 115.15 111.02 1y7d h HIS 63 Ca -0.00 -0.26 0.01 0.00 -0.00 0.00 0.00 60.37 60.12 1y7d h HIS 63 Cb 1.09 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 28.38 1y7d h HIS 63 CO 0.02 1.05 0.66 0.78 -0.00 0.00 0.00 177.93 180.45 1y7d h GLY 64 N 1.41 1.42 1.76 5.26 0.00 -1.00 -0.78 103.07 111.14 1y7d h GLY 64 Ca -0.05 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.63 1y7d h GLY 64 CO 0.14 0.50 -0.51 1.70 0.00 0.00 0.00 176.54 178.38 1y7d h LYS 65 N 1.34 0.25 -0.19 4.80 3.64 -1.42 -1.66 116.57 123.34 1y7d h LYS 65 Ca 0.37 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1y7d h LYS 65 Cb -0.13 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1y7d h LYS 65 CO -0.09 0.70 -0.41 -0.22 -2.27 0.00 0.00 179.45 177.17 1y7d h LYS 66 N 0.20 0.61 0.25 1.90 3.64 -1.20 -2.30 116.57 119.67 1y7d h LYS 66 Ca 0.01 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 1y7d h LYS 66 Cb 0.96 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1y7d h LYS 66 CO 0.08 1.02 -0.12 0.28 -2.27 0.00 0.00 179.45 178.44 1y7d h VAL 67 N 0.29 0.80 0.00 2.00 2.07 -1.10 -2.40 116.25 117.92 1y7d h VAL 67 Ca 0.00 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1y7d h VAL 67 Cb 1.01 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1y7d h VAL 67 CO 0.09 0.08 -0.17 -0.07 0.02 0.00 0.00 177.57 177.52 1y7d h LEU 68 N -0.54 0.00 0.34 2.57 -0.00 -1.40 -1.28 115.31 115.01 1y7d h LEU 68 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 1y7d h LEU 68 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1y7d h LEU 68 CO 0.06 0.17 -0.19 1.23 -0.00 0.00 0.00 178.44 179.71 1y7d h GLY 69 N 1.14 -0.65 0.51 0.83 0.00 -1.29 0.41 103.07 104.02 1y7d h GLY 69 Ca -0.00 0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.70 1y7d h GLY 69 CO 0.02 -0.23 0.63 0.00 0.00 0.00 0.00 176.54 176.97 1y7d h ALA 70 N -1.67 1.52 -0.06 3.60 0.00 -1.18 -1.71 119.26 119.76 1y7d h ALA 70 Ca -0.05 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y7d h ALA 70 Cb 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1y7d h ALA 70 CO 0.06 0.25 0.03 0.35 0.00 0.00 0.00 179.25 179.94 1y7d h PHE 71 N 1.01 0.09 -0.55 0.00 3.57 -1.03 -2.16 116.94 117.86 1y7d h PHE 71 Ca 0.49 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.10 1y7d h PHE 71 Cb 0.46 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.07 1y7d h PHE 71 CO -0.00 0.14 -0.05 1.03 -2.23 0.00 0.00 178.31 177.19 1y7d h SER 72 N 0.01 -0.35 0.19 0.41 0.87 0.70 -0.68 113.55 114.69 1y7d h SER 72 Ca 0.02 0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1y7d h SER 72 Cb 0.08 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1y7d h SER 72 CO -0.00 -0.13 -0.25 0.44 -0.53 0.00 0.00 176.83 176.35 1y7d h ASP 73 N 0.07 0.12 0.66 6.23 3.32 -1.26 -2.23 116.42 123.32 1y7d h ASP 73 Ca 0.28 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 1y7d h ASP 73 Cb 0.44 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1y7d h ASP 73 CO -0.51 0.38 -0.19 1.23 -1.72 0.00 0.00 179.24 178.42 1y7d h GLY 74 N 0.88 0.00 1.77 2.75 0.00 -0.46 -2.42 103.07 105.59 1y7d h GLY 74 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1y7d h GLY 74 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 1y7d n LEU 75 N -3.52 0.00 -0.24 3.11 4.77 -0.84 -1.58 117.00 118.71 1y7d n LEU 75 Ca -0.01 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 1y7d n LEU 75 Cb 0.35 -0.39 0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1y7d n LEU 75 CO 0.32 -0.14 0.32 0.00 -1.33 0.00 0.00 177.39 176.56 1y7d n ALA 76 N -1.39 3.75 -2.58 -1.18 0.00 -0.91 -4.26 120.51 113.94 1y7d n ALA 76 Ca 0.07 -0.53 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 1y7d n ALA 76 Cb 0.18 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.75 1y7d n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y7d n HIS 77 N -0.76 1.74 0.03 0.00 8.25 -0.61 -4.89 115.22 118.98 1y7d n HIS 77 Ca 0.08 -2.19 0.00 0.00 -0.26 0.00 0.00 57.72 55.36 1y7d n HIS 77 Cb 0.39 -0.27 0.02 0.00 1.12 0.00 0.00 29.99 31.25 1y7d n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1y7d n LEU 78 N -0.62 0.00 -0.79 2.41 7.94 -1.17 -0.05 117.00 124.71 1y7d n LEU 78 Ca 0.19 0.44 0.08 0.00 -1.11 0.00 0.00 56.01 55.61 1y7d n LEU 78 Cb 0.85 -0.44 0.13 0.00 0.53 0.00 0.00 43.42 44.50 1y7d n LEU 78 CO 0.18 -0.43 0.59 0.47 -1.11 0.00 0.00 177.39 177.09 1y7d n ASP 79 N -1.44 2.80 -2.73 1.96 10.43 -1.26 -0.82 116.55 125.49 1y7d n ASP 79 Ca 0.00 -1.82 -0.08 0.00 2.57 0.00 0.00 54.79 55.46 1y7d n ASP 79 Cb 0.01 -0.14 0.07 0.00 1.84 0.00 0.00 41.12 42.91 1y7d n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1y7d n ASN 80 N 0.99 -2.44 -0.16 -2.24 5.15 0.93 -4.57 115.26 112.92 1y7d n ASN 80 Ca 0.13 -3.32 -0.06 0.00 -0.60 0.00 0.00 54.58 50.72 1y7d n ASN 80 Cb 0.46 1.78 0.10 0.00 -0.53 0.00 0.00 39.78 41.59 1y7d n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y7d h LEU 81 N 3.35 0.90 -0.04 1.20 3.38 -1.72 -2.17 115.31 120.21 1y7d h LEU 81 Ca -0.14 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.63 1y7d h LEU 81 Cb 1.09 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1y7d h LEU 81 CO 0.18 0.95 -0.30 0.11 0.09 0.00 0.00 178.44 179.48 1y7d h LYS 82 N 0.86 -0.41 -0.07 1.13 6.56 -1.89 0.25 116.57 123.00 1y7d h LYS 82 Ca 0.16 0.03 -0.12 0.00 -1.06 0.00 0.00 60.65 59.66 1y7d h LYS 82 Cb 0.50 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 1y7d h LYS 82 CO 0.02 -0.27 -0.50 0.78 -2.06 0.00 0.00 179.45 177.42 1y7d h GLY 83 N -0.42 0.20 1.40 3.86 0.00 -1.94 -1.62 103.07 104.54 1y7d h GLY 83 Ca 0.07 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1y7d h GLY 83 CO -0.28 0.19 -0.19 -0.84 0.00 0.00 0.00 176.54 175.42 1y7d h THR 84 N 0.14 1.26 -0.40 4.70 2.02 -0.68 -3.27 112.91 116.69 1y7d h THR 84 Ca 0.00 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1y7d h THR 84 Cb 0.94 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1y7d h THR 84 CO 0.07 0.42 0.00 0.49 0.37 0.00 0.00 175.52 176.87 1y7d n PHE 85 N -4.13 0.52 -0.10 3.16 3.01 0.79 -4.63 117.46 116.08 1y7d n PHE 85 Ca 0.00 -0.30 -0.06 0.00 1.01 0.00 0.00 57.45 58.10 1y7d n PHE 85 Cb 0.40 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1y7d n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y7d h ALA 86 N 3.87 0.18 -0.70 4.37 0.00 -1.35 0.36 119.26 125.98 1y7d h ALA 86 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1y7d h ALA 86 Cb 0.90 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1y7d h ALA 86 CO 0.00 -0.50 0.21 1.15 0.00 0.00 0.00 179.25 180.12 1y7d h THR 87 N -0.05 1.25 -0.05 0.00 2.02 -1.84 -1.98 112.91 112.26 1y7d h THR 87 Ca 0.17 -0.89 -0.14 0.00 0.77 0.00 0.00 66.41 66.33 1y7d h THR 87 Cb 0.32 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1y7d h THR 87 CO -0.39 0.35 -0.61 0.25 0.37 0.00 0.00 175.52 175.49 1y7d h LEU 88 N 1.05 0.19 -0.21 2.58 5.85 -1.79 -2.19 115.31 120.77 1y7d h LEU 88 Ca 0.23 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1y7d h LEU 88 Cb 0.30 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1y7d h LEU 88 CO -0.01 0.75 -0.14 -1.28 -0.34 0.00 0.00 178.44 177.42 1y7d h SER 89 N 0.12 0.49 -0.35 1.25 0.87 0.15 -2.15 113.55 113.93 1y7d h SER 89 Ca -0.01 -0.44 -0.09 0.00 -1.23 0.00 0.00 61.79 60.03 1y7d h SER 89 Cb 1.10 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1y7d h SER 89 CO 0.09 0.83 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.79 1y7d h GLU 90 N 0.17 0.77 -0.32 2.24 5.08 -1.37 -2.25 114.58 118.89 1y7d h GLU 90 Ca 0.04 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1y7d h GLU 90 Cb 0.66 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1y7d h GLU 90 CO 0.04 0.84 0.18 1.25 -1.00 0.00 0.00 179.01 180.32 1y7d h LEU 91 N 0.70 0.40 -1.07 1.33 5.85 -1.30 0.33 115.31 121.56 1y7d h LEU 91 Ca 0.12 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1y7d h LEU 91 Cb 0.56 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1y7d h LEU 91 CO 0.03 0.36 0.15 0.45 -0.34 0.00 0.00 178.44 179.09 1y7d h HIS 92 N 0.40 0.83 0.04 1.25 3.86 -1.27 -0.52 115.15 119.74 1y7d h HIS 92 Ca 0.11 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1y7d h HIS 92 Cb 0.05 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.27 1y7d h HIS 92 CO -0.03 0.69 -0.02 0.00 0.86 0.00 0.00 177.93 179.43 1y7d h ASP 94 N -0.45 0.00 0.00 0.00 3.32 -1.02 -3.10 116.42 115.17 1y7d h ASP 94 Ca -0.01 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.83 1y7d h ASP 94 Cb 0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1y7d h ASP 94 CO 0.01 0.51 -1.59 0.29 -1.72 0.00 0.00 179.24 176.74 1y7d n LYS 95 N -3.50 0.35 0.12 3.56 4.01 -0.32 -4.78 118.16 117.60 1y7d n LYS 95 Ca 0.00 0.15 0.03 0.00 -0.51 0.00 0.00 58.31 57.98 1y7d n LYS 95 Cb 0.62 -1.09 0.01 0.00 -0.51 0.00 0.00 35.03 34.05 1y7d n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1y7d h LEU 96 N -0.61 0.00 -1.62 -0.35 3.38 -1.33 -3.49 115.31 111.29 1y7d h LEU 96 Ca -0.32 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.22 1y7d h LEU 96 Cb 1.17 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.96 1y7d h LEU 96 CO -0.19 0.45 -0.82 1.41 0.09 0.00 0.00 178.44 179.38 1y7d n HIS 97 N -3.10 -1.99 -3.26 1.13 8.25 -0.17 -4.97 115.22 111.10 1y7d n HIS 97 Ca -0.01 0.85 -0.39 0.00 -0.26 0.00 0.00 57.72 57.92 1y7d n HIS 97 Cb 0.73 -4.32 -0.07 0.00 1.12 0.00 0.00 29.99 27.46 1y7d n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y7d s VAL 98 N -3.60 5.12 0.22 1.59 1.01 -0.56 -5.03 120.40 119.15 1y7d s VAL 98 Ca 0.13 0.94 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 1y7d s VAL 98 Cb -0.07 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1y7d s VAL 98 CO 0.82 0.19 1.46 -0.62 0.00 0.00 0.00 175.10 176.94 1y7d s ASP 99 N 1.12 6.66 0.59 3.32 3.68 -1.26 -4.75 116.67 126.03 1y7d s ASP 99 Ca 0.24 2.63 0.29 0.00 2.13 0.00 0.00 52.55 57.84 1y7d s ASP 99 Cb -0.15 -2.61 1.64 0.00 -1.45 0.00 0.00 42.92 40.34 1y7d s ASP 99 CO 0.10 -0.72 2.07 1.23 0.13 0.00 0.00 175.17 177.98 1y7d h GLY 100 N 5.50 0.00 2.00 2.66 0.00 -1.97 -0.73 103.07 110.53 1y7d h GLY 100 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1y7d h GLY 100 CO 0.81 0.00 -0.02 -2.09 0.00 0.00 0.00 176.54 175.24 1y7d h GLU 101 N 0.00 0.00 -0.08 4.80 4.57 -1.98 -1.10 114.58 120.79 1y7d h GLU 101 Ca 0.10 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1y7d h GLU 101 Cb 0.59 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1y7d h GLU 101 CO -0.00 0.02 -0.08 -0.91 -1.18 0.00 0.00 179.01 176.85 1y7d h ASN 102 N 0.00 0.10 -0.64 1.04 -0.26 -1.49 -2.29 115.58 112.03 1y7d h ASN 102 Ca -0.00 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1y7d h ASN 102 Cb 0.04 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.24 1y7d h ASN 102 CO 0.00 0.21 0.29 -0.26 -1.06 0.00 0.00 177.43 176.61 1y7d h PHE 103 N 0.11 0.97 -0.18 1.19 0.04 -1.38 -0.94 116.94 116.74 1y7d h PHE 103 Ca 0.03 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 1y7d h PHE 103 Cb 0.22 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 1y7d h PHE 103 CO 0.00 0.73 -0.10 0.00 -0.60 0.00 0.00 178.31 178.34 1y7d h ARG 104 N 0.96 0.40 -0.01 1.51 3.08 -1.50 -1.93 114.38 116.88 1y7d h ARG 104 Ca 0.23 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1y7d h ARG 104 Cb 0.15 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1y7d h ARG 104 CO -0.02 0.70 0.01 -0.07 -1.07 0.00 0.00 179.97 179.52 1y7d h LEU 105 N 0.08 0.01 -0.60 3.04 3.38 -1.18 -2.72 115.31 117.32 1y7d h LEU 105 Ca 0.04 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1y7d h LEU 105 Cb 0.59 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 1y7d h LEU 105 CO 0.03 0.06 0.22 0.25 0.09 0.00 0.00 178.44 179.09 1y7d h LEU 106 N -0.04 0.21 -0.33 1.67 5.85 -1.18 -1.76 115.31 119.73 1y7d h LEU 106 Ca 0.00 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1y7d h LEU 106 Cb 0.05 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 1y7d h LEU 106 CO -0.00 0.13 -0.25 1.23 -0.34 0.00 0.00 178.44 179.20 1y7d h GLY 107 N 0.39 -0.11 1.03 3.75 0.00 -1.10 0.34 103.07 107.37 1y7d h GLY 107 Ca 0.30 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.93 1y7d h GLY 107 CO -0.31 -0.20 0.47 3.43 0.00 0.00 0.00 176.54 179.93 1y7d h ASN 108 N -0.22 1.12 -0.46 0.19 2.35 -1.17 -1.61 115.58 115.79 1y7d h ASN 108 Ca 0.17 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1y7d h ASN 108 Cb 0.48 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1y7d h ASN 108 CO -0.46 0.91 0.19 0.58 -1.65 0.00 0.00 177.43 177.00 1y7d h VAL 109 N 1.24 1.20 -0.32 2.81 2.07 -0.43 -2.22 116.25 120.61 1y7d h VAL 109 Ca 0.31 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.29 1y7d h VAL 109 Cb 0.05 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1y7d h VAL 109 CO -0.05 0.23 -0.07 0.25 0.02 0.00 0.00 177.57 177.95 1y7d h LEU 110 N 0.60 -0.27 -1.16 2.57 5.85 0.31 -0.52 115.31 122.69 1y7d h LEU 110 Ca 0.15 0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1y7d h LEU 110 Cb 0.17 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1y7d h LEU 110 CO -0.01 -0.09 0.58 0.58 -0.34 0.00 0.00 178.44 179.15 1y7d h VAL 111 N 0.01 1.09 -0.41 1.05 2.07 -1.07 -0.48 116.25 118.51 1y7d h VAL 111 Ca 0.15 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 1y7d h VAL 111 Cb 0.23 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1y7d h VAL 111 CO -0.32 0.19 -0.19 0.00 0.02 0.00 0.00 177.57 177.27 1y7d h VAL 113 N 0.69 1.22 -0.95 0.00 2.07 0.09 -1.54 116.25 117.83 1y7d h VAL 113 Ca 0.10 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1y7d h VAL 113 Cb 0.70 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1y7d h VAL 113 CO 0.05 0.19 0.61 -0.07 0.02 0.00 0.00 177.57 178.37 1y7d h LEU 114 N -0.12 1.00 -0.55 2.57 3.38 -1.09 -0.80 115.31 119.70 1y7d h LEU 114 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1y7d h LEU 114 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1y7d h LEU 114 CO 0.00 0.66 0.10 0.00 0.09 0.00 0.00 178.44 179.29 1y7d h ALA 115 N 1.41 0.73 -0.40 1.53 0.00 -1.23 -0.84 119.26 120.47 1y7d h ALA 115 Ca 0.39 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1y7d h ALA 115 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1y7d h ALA 115 CO -0.15 0.47 0.24 1.25 0.00 0.00 0.00 179.25 181.06 1y7d h HIS 116 N 0.80 0.45 -0.01 0.00 -0.00 -0.48 -1.52 115.15 114.40 1y7d h HIS 116 Ca 0.17 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 1y7d h HIS 116 Cb 0.40 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1y7d h HIS 116 CO 0.03 0.27 -0.03 0.45 -0.00 0.00 0.00 177.93 178.65 1y7d h HIS 117 N 0.49 0.05 -0.01 5.26 -0.00 -1.10 -3.37 115.15 116.47 1y7d h HIS 117 Ca 0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1y7d h HIS 117 Cb -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1y7d h HIS 117 CO -0.07 0.66 -0.25 1.19 -0.00 0.00 0.00 177.93 179.46 1y7d n PHE 118 N -4.75 0.00 0.00 2.45 3.01 -0.33 -5.01 117.46 112.83 1y7d n PHE 118 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1y7d n PHE 118 Cb 0.33 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1y7d n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y7d n GLY 119 N 1.33 2.07 0.32 1.37 0.00 -0.57 -0.57 105.19 109.13 1y7d n GLY 119 Ca 0.13 0.35 0.16 0.00 0.00 0.00 0.00 46.02 46.66 1y7d n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y7d h LYS 120 N 0.00 0.12 -0.12 1.61 2.10 -1.95 0.02 116.57 118.36 1y7d h LYS 120 Ca 0.00 -0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.68 1y7d h LYS 120 Cb 0.00 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.30 1y7d h LYS 120 CO 0.00 0.08 0.10 1.49 -2.00 0.00 0.00 179.45 179.12 1y7d h GLU 121 N 0.13 0.00 -3.71 0.07 4.81 -1.24 -3.29 114.58 111.35 1y7d h GLU 121 Ca 0.61 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 59.09 1y7d h GLU 121 Cb 1.32 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.53 1y7d h GLU 121 CO -0.74 0.00 1.84 0.34 -0.73 0.00 0.00 179.01 179.71 1y7d n PHE 122 N -4.25 3.30 -1.48 0.92 7.35 -0.01 -4.94 117.46 118.35 1y7d n PHE 122 Ca -0.00 -2.89 -0.31 0.00 -0.76 0.00 0.00 57.45 53.49 1y7d n PHE 122 Cb 0.21 -1.96 0.06 0.00 0.35 0.00 0.00 39.48 38.15 1y7d n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y7d s THR 123 N 0.45 3.81 0.24 -2.13 -4.23 -1.24 -4.74 115.64 107.79 1y7d s THR 123 Ca 0.40 0.59 -0.06 0.00 -1.18 0.00 0.00 61.69 61.43 1y7d s THR 123 Cb 0.07 -3.26 0.23 0.00 1.34 0.00 0.00 72.50 70.88 1y7d s THR 123 CO 0.01 -0.77 1.68 -0.65 -0.54 0.00 0.00 174.62 174.35 1y7d h PRO 124 N -0.84 0.23 -0.72 3.99 0.11 -1.94 0.25 132.00 133.07 1y7d h PRO 124 Ca -0.44 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1y7d h PRO 124 Cb 1.22 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1y7d h PRO 124 CO 0.55 0.15 0.37 -1.35 -0.21 0.00 0.00 178.00 177.51 1y7d h PRO 125 N 0.24 1.03 -0.49 1.05 0.11 -1.99 0.18 132.00 132.14 1y7d h PRO 125 Ca 0.39 -0.14 -0.10 0.00 0.11 0.00 0.00 66.00 66.26 1y7d h PRO 125 Cb 0.67 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1y7d h PRO 125 CO -0.51 0.80 -0.09 0.28 -0.21 0.00 0.00 178.00 178.26 1y7d h VAL 126 N 1.01 1.27 -0.33 3.15 2.07 -1.54 -2.26 116.25 119.62 1y7d h VAL 126 Ca 0.25 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.56 1y7d h VAL 126 Cb 0.09 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1y7d h VAL 126 CO -0.03 0.42 0.20 -0.61 0.02 0.00 0.00 177.57 177.57 1y7d h GLN 127 N 0.78 0.40 -0.66 1.57 4.15 -0.23 -1.59 115.11 119.53 1y7d h GLN 127 Ca 0.13 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.63 1y7d h GLN 127 Cb 0.64 -0.09 -0.08 0.00 0.21 0.00 0.00 27.48 28.16 1y7d h GLN 127 CO 0.04 0.27 0.26 0.00 -1.93 0.00 0.00 178.83 177.47 1y7d h ALA 128 N 1.14 0.87 -0.55 3.38 0.00 -0.31 0.18 119.26 123.97 1y7d h ALA 128 Ca 0.13 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1y7d h ALA 128 Cb -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1y7d h ALA 128 CO -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 179.25 178.99 1y7d h ALA 129 N 1.45 0.90 -0.20 0.00 0.00 -1.14 -2.67 119.26 117.59 1y7d h ALA 129 Ca 0.34 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1y7d h ALA 129 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1y7d h ALA 129 CO -0.32 0.65 -0.29 1.88 0.00 0.00 0.00 179.25 181.16 1y7d h TYR 130 N 0.88 0.43 -0.48 0.00 0.05 -0.35 -2.04 116.97 115.46 1y7d h TYR 130 Ca 0.15 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 1y7d h TYR 130 Cb 0.57 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 1y7d h TYR 130 CO 0.04 0.64 0.09 1.96 -1.05 0.00 0.00 178.16 179.83 1y7d h GLN 131 N 0.34 0.74 -0.33 4.88 1.08 -0.40 0.61 115.11 122.03 1y7d h GLN 131 Ca 0.05 -0.16 -0.12 0.00 -1.45 0.00 0.00 58.65 56.97 1y7d h GLN 131 Cb 0.69 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1y7d h GLN 131 CO 0.05 0.70 -0.30 0.87 -0.95 0.00 0.00 178.83 179.20 1y7d h LYS 132 N 0.72 0.70 -0.07 1.46 1.57 -1.17 -2.02 116.57 117.76 1y7d h LYS 132 Ca 0.16 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1y7d h LYS 132 Cb 0.31 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1y7d h LYS 132 CO 0.00 0.92 -0.09 0.28 -0.57 0.00 0.00 179.45 179.99 1y7d h VAL 133 N 0.60 1.39 -0.81 0.50 2.07 -0.70 -1.63 116.25 117.67 1y7d h VAL 133 Ca 0.07 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1y7d h VAL 133 Cb 0.81 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 1y7d h VAL 133 CO 0.07 0.37 0.38 -0.37 0.02 0.00 0.00 177.57 178.03 1y7d h VAL 134 N -0.29 1.25 -0.01 2.57 -1.51 -0.89 0.40 116.25 117.78 1y7d h VAL 134 Ca 0.01 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1y7d h VAL 134 Cb 0.64 0.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.02 1y7d h VAL 134 CO 0.02 0.31 0.01 0.00 -1.23 0.00 0.00 177.57 176.68 1y7d h ALA 135 N 1.26 0.02 -0.66 5.19 0.00 -1.37 -0.59 119.26 123.11 1y7d h ALA 135 Ca 0.28 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1y7d h ALA 135 Cb 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1y7d h ALA 135 CO -0.03 -0.48 0.41 0.78 0.00 0.00 0.00 179.25 179.93 1y7d h GLY 136 N 0.02 0.95 0.95 0.00 0.00 -0.80 -0.36 103.07 103.83 1y7d h GLY 136 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1y7d h GLY 136 CO -0.00 0.27 0.10 -2.08 0.00 0.00 0.00 176.54 174.83 1y7d h VAL 137 N 0.82 1.10 -0.83 4.60 2.07 -0.67 -0.55 116.25 122.79 1y7d h VAL 137 Ca 0.26 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1y7d h VAL 137 Cb 0.01 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1y7d h VAL 137 CO -0.10 0.09 0.50 0.00 0.02 0.00 0.00 177.57 178.08 1y7d h ALA 138 N 1.00 1.15 -0.49 1.67 0.00 -0.83 -1.01 119.26 120.75 1y7d h ALA 138 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1y7d h ALA 138 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1y7d h ALA 138 CO -0.01 0.21 0.07 -0.91 0.00 0.00 0.00 179.25 178.60 1y7d h ASN 139 N 0.89 0.79 -0.58 0.00 2.35 -0.72 -2.80 115.58 115.50 1y7d h ASN 139 Ca 0.37 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1y7d h ASN 139 Cb 0.22 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1y7d h ASN 139 CO -0.19 0.86 0.17 0.00 -1.65 0.00 0.00 177.43 176.62 1y7d h ALA 140 N 0.96 0.77 0.00 -0.83 0.00 -0.50 -2.11 119.26 117.54 1y7d h ALA 140 Ca 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1y7d h ALA 140 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1y7d h ALA 140 CO 0.01 0.45 -0.21 -0.07 0.00 0.00 0.00 179.25 179.42 1y7d h LEU 141 N 0.83 0.00 -1.10 0.00 3.38 -1.14 -2.99 115.31 114.30 1y7d h LEU 141 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1y7d h LEU 141 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1y7d h LEU 141 CO -0.00 0.21 -0.41 0.00 0.09 0.00 0.00 178.44 178.33 1y7d n ALA 142 N -2.28 3.41 -0.31 1.53 0.00 -1.07 -4.30 120.51 117.50 1y7d n ALA 142 Ca -0.01 -0.64 0.04 0.00 0.00 0.00 0.00 53.44 52.82 1y7d n ALA 142 Cb 0.36 -0.81 0.18 0.00 0.00 0.00 0.00 19.45 19.18 1y7d n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y7d h HIS 143 N 2.68 0.95 -0.49 0.00 6.17 -1.22 -2.68 115.15 120.56 1y7d h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1y7d h HIS 143 Cb 0.78 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.41 1y7d h HIS 143 CO 0.00 0.40 0.00 1.63 0.71 0.00 0.00 177.93 180.67 1y7d n LYS 144 N -4.69 2.21 -2.17 5.26 4.76 -1.26 -4.93 118.16 117.33 1y7d n LYS 144 Ca 0.15 -1.79 -0.41 0.00 -2.87 0.00 0.00 58.31 53.39 1y7d n LYS 144 Cb 0.28 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.03 1y7d n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y7d s TYR 145 N -1.38 3.14 0.00 2.13 2.02 -1.01 -4.78 117.35 117.47 1y7d s TYR 145 Ca 0.33 1.42 0.00 0.00 -0.37 0.00 0.00 57.07 58.46 1y7d s TYR 145 Cb 0.18 -3.62 0.00 0.00 -0.40 0.00 0.00 41.96 38.12 1y7d s TYR 145 CO 0.22 -1.70 0.00 -2.39 -1.57 0.00 0.00 175.55 170.11